Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1196 | 1abz RC | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H2 SIN 0 1H2 SIN 0 15.778 0.862 0.862
2 2H2 SIN 0 2H2 SIN 0 14.596 -0.326 -0.326
3 1H3 SIN 0 1H3 SIN 0 13.458 1.028 1.028
4 2H3 SIN 0 2H3 SIN 0 14.118 2.259 2.259
5 H ASP 1 HN ASP 1 13.485 1.816 1.816
6 HA ASP 1 HA ASP 1 10.760 1.003 1.003
7 1HB ASP 1 HB1 ASP 1 12.249 3.141 3.141
8 2HB ASP 1 HB2 ASP 1 10.778 2.314 2.314
9 H TRP 2 HN TRP 2 12.259 4.093 4.093
10 HA TRP 2 HA TRP 2 10.021 5.754 5.754
11 1HB TRP 2 HB1 TRP 2 11.139 7.146 7.146
12 2HB TRP 2 HB2 TRP 2 12.358 6.477 6.477
13 HD1 TRP 2 HD1 TRP 2 13.636 4.247 4.247
14 HE1 TRP 2 HE1 TRP 2 14.361 3.619 3.619
15 HE3 TRP 2 HE3 TRP 2 10.596 7.346 7.346
16 HZ2 TRP 2 HZ2 TRP 2 13.713 4.350 4.350
17 HZ3 TRP 2 HZ3 TRP 2 10.665 7.370 7.370
18 HH2 TRP 2 HH2 TRP 2 12.221 5.872 5.872
19 H LEU 3 HN LEU 3 10.864 3.278 3.278
20 HA LEU 3 HA LEU 3 9.144 4.081 4.081
21 1HB LEU 3 HB1 LEU 3 10.692 1.771 1.771
22 2HB LEU 3 HB2 LEU 3 9.073 1.235 1.235
23 HG LEU 3 HG LEU 3 9.660 3.285 3.285
24 1HD1 LEU 3 HD11 LEU 3 12.075 2.787 2.787
25 2HD1 LEU 3 HD12 LEU 3 12.020 1.464 1.464
26 3HD1 LEU 3 HD13 LEU 3 11.852 3.131 3.131
27 1HD2 LEU 3 HD21 LEU 3 8.725 0.750 0.750
28 2HD2 LEU 3 HD22 LEU 3 9.210 1.650 1.650
29 3HD2 LEU 3 HD23 LEU 3 10.326 0.502 0.502
30 H LYS 4 HN LYS 4 8.440 2.218 2.218
31 HA LYS 4 HA LYS 4 5.857 1.325 1.325
32 1HB LYS 4 HB1 LYS 4 7.366 2.022 2.022
33 2HB LYS 4 HB2 LYS 4 5.674 2.489 2.489
34 1HG LYS 4 HG1 LYS 4 5.044 0.333 0.333
35 2HG LYS 4 HG2 LYS 4 5.891 -0.118 -0.118
36 1HD LYS 4 HD1 LYS 4 6.874 -1.357 -1.357
37 2HD LYS 4 HD2 LYS 4 8.035 -0.133 -0.133
38 1HE LYS 4 HE1 LYS 4 8.063 0.662 0.662
39 2HE LYS 4 HE2 LYS 4 6.363 1.099 1.099
40 1HZ LYS 4 HZ1 LYS 4 6.327 -1.596 -1.596
41 2HZ LYS 4 HZ2 LYS 4 7.542 -1.048 -1.048
42 3HZ LYS 4 HZ3 LYS 4 5.973 -0.404 -0.404
43 H ALA 5 HN ALA 5 6.965 4.601 4.601
44 HA ALA 5 HA ALA 5 4.304 5.773 5.773
45 1HB ALA 5 HB3 ALA 5 7.122 6.783 6.783
46 2HB ALA 5 HB1 ALA 5 5.850 7.886 7.886
47 3HB ALA 5 HB2 ALA 5 5.797 7.189 7.189
48 H ARG 6 HN ARG 6 6.920 5.388 5.388
49 HA ARG 6 HA ARG 6 5.869 6.833 6.833
50 1HB ARG 6 HB1 ARG 6 7.412 4.228 4.228
51 2HB ARG 6 HB2 ARG 6 7.002 5.024 5.024
52 1HG ARG 6 HG1 ARG 6 8.324 6.640 6.640
53 2HG ARG 6 HG2 ARG 6 9.309 5.521 5.521
54 1HD ARG 6 HD1 ARG 6 8.934 8.011 8.011
55 2HD ARG 6 HD2 ARG 6 8.959 6.678 6.678
56 HE ARG 6 HE ARG 6 6.428 6.722 6.722
57 1HH1 ARG 6 HH11 ARG 6 6.580 8.784 8.784
58 2HH1 ARG 6 HH12 ARG 6 6.102 10.221 10.221
59 1HH2 ARG 6 HH21 ARG 6 6.565 8.850 8.850
60 2HH2 ARG 6 HH22 ARG 6 6.093 10.259 10.259
61 H VAL 7 HN VAL 7 4.892 3.736 3.736
62 HA VAL 7 HA VAL 7 3.139 3.099 3.099
63 HB VAL 7 HB VAL 7 3.030 1.783 1.783
64 1HG1 VAL 7 HG13 VAL 7 1.478 1.084 1.084
65 2HG1 VAL 7 HG11 VAL 7 2.867 0.728 0.728
66 3HG1 VAL 7 HG12 VAL 7 2.596 -0.206 -0.206
67 1HG2 VAL 7 HG23 VAL 7 5.348 2.008 2.008
68 2HG2 VAL 7 HG21 VAL 7 5.272 1.451 1.451
69 3HG2 VAL 7 HG22 VAL 7 4.901 0.339 0.339
70 H GLU 8 HN GLU 8 2.781 4.329 4.329
71 HA GLU 8 HA GLU 8 -0.050 4.248 4.248
72 1HB GLU 8 HB1 GLU 8 2.016 5.232 5.232
73 2HB GLU 8 HB2 GLU 8 1.067 6.664 6.664
74 1HG GLU 8 HG1 GLU 8 -0.701 5.975 5.975
75 2HG GLU 8 HG2 GLU 8 -0.564 4.310 4.310
76 H GLN 9 HN GLN 9 2.015 7.010 7.010
77 HA GLN 9 HA GLN 9 -0.085 8.711 8.711
78 1HB GLN 9 HB1 GLN 9 2.774 8.423 8.423
79 2HB GLN 9 HB2 GLN 9 1.698 9.657 9.657
80 1HG GLN 9 HG1 GLN 9 1.259 10.390 10.390
81 2HG GLN 9 HG2 GLN 9 2.560 9.307 9.307
82 1HE2 GLN 9 HE22 GLN 9 3.491 12.937 12.937
83 2HE2 GLN 9 HE21 GLN 9 1.914 12.488 12.488
84 H GLU 10 HN GLU 10 1.278 5.886 5.886
85 HA GLU 10 HA GLU 10 0.346 6.378 6.378
86 1HB GLU 10 HB1 GLU 10 2.032 4.584 4.584
87 2HB GLU 10 HB2 GLU 10 0.576 3.603 3.603
88 1HG GLU 10 HG1 GLU 10 0.598 3.162 3.162
89 2HG GLU 10 HG2 GLU 10 0.539 4.888 4.888
90 H LEU 11 HN LEU 11 -0.940 4.028 4.028
91 HA LEU 11 HA LEU 11 -3.469 3.907 3.907
92 1HB LEU 11 HB1 LEU 11 -4.150 2.433 2.433
93 2HB LEU 11 HB2 LEU 11 -2.619 1.931 1.931
94 HG LEU 11 HG LEU 11 -2.111 3.942 3.942
95 1HD1 LEU 11 HD13 LEU 11 -3.797 1.622 1.622
96 2HD1 LEU 11 HD11 LEU 11 -2.868 2.685 2.685
97 3HD1 LEU 11 HD12 LEU 11 -4.199 3.336 3.336
98 1HD2 LEU 11 HD22 LEU 11 -0.688 1.983 1.983
99 2HD2 LEU 11 HD23 LEU 11 -0.543 2.357 2.357
100 3HD2 LEU 11 HD21 LEU 11 -1.530 0.993 0.993
101 H GLN 12 HN GLN 12 -2.232 6.286 6.286
102 HA GLN 12 HA GLN 12 -4.444 6.805 6.805
103 1HB GLN 12 HB1 GLN 12 -1.898 8.072 8.072
104 2HB GLN 12 HB2 GLN 12 -3.183 9.240 9.240
105 1HG GLN 12 HG1 GLN 12 -3.641 8.190 8.190
106 2HG GLN 12 HG2 GLN 12 -2.422 6.956 6.956
107 1HE2 GLN 12 HE22 GLN 12 -1.208 10.779 10.779
108 2HE2 GLN 12 HE21 GLN 12 -2.778 10.525 10.525
109 H ALA 13 HN ALA 13 -3.356 8.468 8.468
110 HA ALA 13 HA ALA 13 -5.821 9.971 9.971
111 1HB ALA 13 HB3 ALA 13 -3.403 10.403 10.403
112 2HB ALA 13 HB1 ALA 13 -4.033 9.471 9.471
113 3HB ALA 13 HB2 ALA 13 -4.838 10.960 10.960
114 H LEU 14 HN LEU 14 -4.674 6.883 6.883
115 HA LEU 14 HA LEU 14 -6.658 6.570 6.570
116 1HB LEU 14 HB1 LEU 14 -4.527 5.016 5.016
117 2HB LEU 14 HB2 LEU 14 -5.980 4.018 4.018
118 HG LEU 14 HG LEU 14 -4.862 3.760 3.760
119 1HD1 LEU 14 HD11 LEU 14 -7.452 4.601 4.601
120 2HD1 LEU 14 HD12 LEU 14 -6.804 5.805 5.805
121 3HD1 LEU 14 HD13 LEU 14 -6.708 4.091 4.091
122 1HD2 LEU 14 HD22 LEU 14 -3.590 6.000 6.000
123 2HD2 LEU 14 HD23 LEU 14 -3.985 5.537 5.537
124 3HD2 LEU 14 HD21 LEU 14 -4.964 6.742 6.742
125 H GLU 15 HN GLU 15 -6.499 5.115 5.115
126 HA GLU 15 HA GLU 15 -9.221 4.165 4.165
127 1HB GLU 15 HB1 GLU 15 -7.720 3.072 3.072
128 2HB GLU 15 HB2 GLU 15 -7.298 4.599 4.599
129 1HG GLU 15 HG1 GLU 15 -8.968 3.153 3.153
130 2HG GLU 15 HG2 GLU 15 -9.490 4.810 4.810
131 H ALA 16 HN ALA 16 -7.861 7.257 7.257
132 HA ALA 16 HA ALA 16 -9.878 8.305 8.305
133 1HB ALA 16 HB3 ALA 16 -7.930 9.593 9.593
134 2HB ALA 16 HB1 ALA 16 -9.073 10.544 10.544
135 3HB ALA 16 HB2 ALA 16 -7.859 9.555 9.555
136 H ARG 17 HN ARG 17 -9.698 7.829 7.829
137 HA ARG 17 HA ARG 17 -12.486 8.886 8.886
138 1HB ARG 17 HB1 ARG 17 -10.077 9.639 9.639
139 2HB ARG 17 HB2 ARG 17 -11.518 9.323 9.323
140 1HG ARG 17 HG1 ARG 17 -12.786 10.968 10.968
141 2HG ARG 17 HG2 ARG 17 -11.515 11.139 11.139
142 1HD ARG 17 HD1 ARG 17 -10.009 11.830 11.830
143 2HD ARG 17 HD2 ARG 17 -11.527 12.076 12.076
144 HE ARG 17 HE ARG 17 -11.107 13.442 13.442
145 1HH1 ARG 17 HH11 ARG 17 -13.239 13.643 13.643
146 2HH1 ARG 17 HH12 ARG 17 -12.868 15.247 15.247
147 1HH2 ARG 17 HH21 ARG 17 -9.902 15.443 15.443
148 2HH2 ARG 17 HH22 ARG 17 -10.977 16.266 16.266
149 H GLY 18 HN GLY 18 -11.479 6.141 6.141
150 1HA GLY 18 HA1 GLY 18 -12.501 4.991 4.991
151 2HA GLY 18 HA2 GLY 18 -11.162 4.248 4.248
152 H THR 19 HN THR 19 -14.509 4.229 4.229
153 HA THR 19 HA THR 19 -14.991 3.050 3.050
154 HB THR 19 HB THR 19 -16.649 4.681 4.681
155 HG1 THR 19 HG1 THR 19 -17.487 2.659 2.659
156 1HG2 THR 19 HG22 THR 19 -16.361 3.552 3.552
157 2HG2 THR 19 HG23 THR 19 -17.959 4.150 4.150
158 3HG2 THR 19 HG21 THR 19 -16.564 5.228 5.228
159 H ASP 20 HN ASP 20 -13.437 1.480 1.480
160 HA ASP 20 HA ASP 20 -15.120 -0.901 -0.901
161 1HB ASP 20 HB1 ASP 20 -14.472 -1.229 -1.229
162 2HB ASP 20 HB2 ASP 20 -15.719 -0.022 -0.022
163 H SER 21 HN SER 21 -13.029 -0.712 -0.712
164 HA SER 21 HA SER 21 -11.174 -2.673 -2.673
165 1HB SER 21 HB1 SER 21 -9.579 -0.415 -0.415
166 2HB SER 21 HB2 SER 21 -9.393 -1.386 -1.386
167 HG SER 21 HG SER 21 -9.918 0.784 0.784
168 H ASN 22 HN ASN 22 -12.985 -2.436 -2.436
169 HA ASN 22 HA ASN 22 -11.264 -2.014 -2.014
170 1HB ASN 22 HB1 ASN 22 -13.394 -2.802 -2.802
171 2HB ASN 22 HB2 ASN 22 -13.493 -1.276 -1.276
172 1HD2 ASN 22 HD22 ASN 22 -15.647 -4.504 -4.504
173 2HD2 ASN 22 HD21 ASN 22 -14.526 -4.659 -4.659
174 H ALA 23 HN ALA 23 -11.156 -4.308 -4.308
175 HA ALA 23 HA ALA 23 -10.953 -6.498 -6.498
176 1HB ALA 23 HB2 ALA 23 -12.753 -6.558 -6.558
177 2HB ALA 23 HB3 ALA 23 -11.366 -7.115 -7.115
178 3HB ALA 23 HB1 ALA 23 -11.890 -8.018 -8.018
179 H GLU 24 HN GLU 24 -9.672 -5.198 -5.198
180 HA GLU 24 HA GLU 24 -7.415 -6.949 -6.949
181 1HB GLU 24 HB1 GLU 24 -8.166 -4.334 -4.334
182 2HB GLU 24 HB2 GLU 24 -6.492 -4.878 -4.878
183 1HG GLU 24 HG1 GLU 24 -8.021 -7.154 -7.154
184 2HG GLU 24 HG2 GLU 24 -8.855 -5.840 -5.840
185 H LEU 25 HN LEU 25 -8.138 -4.435 -4.435
186 HA LEU 25 HA LEU 25 -5.682 -3.148 -3.148
187 1HB LEU 25 HB1 LEU 25 -7.962 -3.924 -3.924
188 2HB LEU 25 HB2 LEU 25 -6.509 -3.203 -3.203
189 HG LEU 25 HG LEU 25 -7.970 -1.963 -1.963
190 1HD1 LEU 25 HD12 LEU 25 -8.846 -2.165 -2.165
191 2HD1 LEU 25 HD13 LEU 25 -8.431 -0.488 -0.488
192 3HD1 LEU 25 HD11 LEU 25 -9.622 -1.328 -1.328
193 1HD2 LEU 25 HD21 LEU 25 -5.670 -1.296 -1.296
194 2HD2 LEU 25 HD22 LEU 25 -5.997 -0.810 -0.810
195 3HD2 LEU 25 HD23 LEU 25 -6.779 0.036 0.036
196 H ARG 26 HN ARG 26 -6.815 -6.266 -6.266
197 HA ARG 26 HA ARG 26 -4.564 -6.813 -6.813
198 1HB ARG 26 HB1 ARG 26 -6.724 -8.400 -8.400
199 2HB ARG 26 HB2 ARG 26 -5.264 -9.302 -9.302
200 1HG ARG 26 HG1 ARG 26 -6.717 -9.368 -9.368
201 2HG ARG 26 HG2 ARG 26 -5.390 -8.269 -8.269
202 1HD ARG 26 HD1 ARG 26 -7.403 -6.722 -6.722
203 2HD ARG 26 HD2 ARG 26 -8.215 -7.720 -7.720
204 HE ARG 26 HE ARG 26 -6.157 -6.764 -6.764
205 1HH1 ARG 26 HH11 ARG 26 -5.551 -4.523 -4.523
206 2HH1 ARG 26 HH12 ARG 26 -6.650 -3.288 -3.288
207 1HH2 ARG 26 HH21 ARG 26 -8.753 -5.483 -5.483
208 2HH2 ARG 26 HH22 ARG 26 -8.464 -3.831 -3.831
209 H ALA 27 HN ALA 27 -5.169 -8.154 -8.154
210 HA ALA 27 HA ALA 27 -2.709 -9.331 -9.331
211 1HB ALA 27 HB2 ALA 27 -4.542 -7.808 -7.808
212 2HB ALA 27 HB3 ALA 27 -3.064 -8.565 -8.565
213 3HB ALA 27 HB1 ALA 27 -4.327 -9.553 -9.553
214 H MET 28 HN MET 28 -3.395 -5.914 -5.914
215 HA MET 28 HA MET 28 -0.985 -4.998 -4.998
216 1HB MET 28 HB1 MET 28 -3.151 -3.674 -3.674
217 2HB MET 28 HB2 MET 28 -2.395 -3.463 -3.463
218 1HG MET 28 HG1 MET 28 -0.861 -1.991 -1.991
219 2HG MET 28 HG2 MET 28 -0.598 -2.930 -2.930
220 1HE MET 28 HE3 MET 28 -3.042 -3.363 -3.363
221 2HE MET 28 HE1 MET 28 -3.354 -1.923 -1.923
222 3HE MET 28 HE2 MET 28 -1.715 -2.552 -2.552
223 H GLU 29 HN GLU 29 -1.859 -5.196 -5.196
224 HA GLU 29 HA GLU 29 0.556 -4.443 -4.443
225 1HB GLU 29 HB1 GLU 29 -1.761 -5.800 -5.800
226 2HB GLU 29 HB2 GLU 29 -0.398 -6.809 -6.809
227 1HG GLU 29 HG1 GLU 29 0.264 -4.060 -4.060
228 2HG GLU 29 HG2 GLU 29 -1.312 -4.399 -4.399
229 H ALA 30 HN ALA 30 -0.216 -7.534 -7.534
230 HA ALA 30 HA ALA 30 2.044 -9.017 -9.017
231 1HB ALA 30 HB3 ALA 30 0.081 -9.134 -9.134
232 2HB ALA 30 HB1 ALA 30 1.638 -9.869 -9.869
233 3HB ALA 30 HB2 ALA 30 0.718 -10.431 -10.431
234 H LYS 31 HN LYS 31 1.666 -7.183 -7.183
235 HA LYS 31 HA LYS 31 4.380 -7.431 -7.431
236 1HB LYS 31 HB1 LYS 31 2.129 -5.581 -5.581
237 2HB LYS 31 HB2 LYS 31 3.756 -5.161 -5.161
238 1HG LYS 31 HG1 LYS 31 2.442 -6.542 -6.542
239 2HG LYS 31 HG2 LYS 31 3.977 -7.263 -7.263
240 1HD LYS 31 HD1 LYS 31 2.925 -8.851 -8.851
241 2HD LYS 31 HD2 LYS 31 1.424 -7.927 -7.927
242 1HE LYS 31 HE1 LYS 31 1.699 -8.374 -8.374
243 2HE LYS 31 HE2 LYS 31 2.349 -9.864 -9.864
244 1HZ LYS 31 HZ3 LYS 31 -0.013 -9.038 -9.038
245 2HZ LYS 31 HZ1 LYS 31 -0.300 -9.222 -9.222
246 3HZ LYS 31 HZ2 LYS 31 0.331 -10.517 -10.517
247 H LEU 32 HN LEU 32 2.881 -5.396 -5.396
248 HA LEU 32 HA LEU 32 4.549 -3.170 -3.170
249 1HB LEU 32 HB1 LEU 32 2.631 -3.613 -3.613
250 2HB LEU 32 HB2 LEU 32 3.618 -4.806 -4.806
251 HG LEU 32 HG LEU 32 5.319 -2.968 -2.968
252 1HD1 LEU 32 HD13 LEU 32 3.091 -1.402 -1.402
253 2HD1 LEU 32 HD11 LEU 32 4.162 -0.631 -0.631
254 3HD1 LEU 32 HD12 LEU 32 4.825 -1.319 -1.319
255 1HD2 LEU 32 HD21 LEU 32 3.573 -3.721 -3.721
256 2HD2 LEU 32 HD22 LEU 32 4.128 -2.061 -2.061
257 3HD2 LEU 32 HD23 LEU 32 2.569 -2.376 -2.376
258 H LYS 33 HN LYS 33 5.135 -5.994 -5.994
259 HA LYS 33 HA LYS 33 7.816 -5.333 -5.333
260 1HB LYS 33 HB1 LYS 33 6.412 -7.060 -7.060
261 2HB LYS 33 HB2 LYS 33 6.686 -8.139 -8.139
262 1HG LYS 33 HG1 LYS 33 9.233 -7.465 -7.465
263 2HG LYS 33 HG2 LYS 33 8.592 -7.207 -7.207
264 1HD LYS 33 HD1 LYS 33 7.529 -9.665 -9.665
265 2HD LYS 33 HD2 LYS 33 9.283 -9.678 -9.678
266 1HE LYS 33 HE1 LYS 33 8.968 -10.519 -10.519
267 2HE LYS 33 HE2 LYS 33 9.310 -8.812 -8.812
268 1HZ LYS 33 HZ2 LYS 33 6.563 -9.887 -9.887
269 2HZ LYS 33 HZ3 LYS 33 7.340 -9.724 -9.724
270 3HZ LYS 33 HZ1 LYS 33 7.025 -8.350 -8.350
271 H ALA 34 HN ALA 34 6.457 -7.102 -7.102
272 HA ALA 34 HA ALA 34 8.765 -8.312 -8.312
273 1HB ALA 34 HB3 ALA 34 6.230 -7.268 -7.268
274 2HB ALA 34 HB1 ALA 34 7.553 -7.529 -7.529
275 3HB ALA 34 HB2 ALA 34 6.959 -8.866 -8.866
276 H GLU 35 HN GLU 35 7.749 -4.928 -4.928
277 HA GLU 35 HA GLU 35 9.847 -4.156 -4.156
278 1HB GLU 35 HB1 GLU 35 7.591 -2.914 -2.914
279 2HB GLU 35 HB2 GLU 35 9.015 -1.928 -1.928
280 1HG GLU 35 HG1 GLU 35 9.519 -1.716 -1.716
281 2HG GLU 35 HG2 GLU 35 8.344 -2.959 -2.959
282 H ILE 36 HN ILE 36 9.459 -4.031 -4.031
283 HA ILE 36 HA ILE 36 11.780 -2.580 -2.580
284 HB ILE 36 HB ILE 36 10.547 -4.929 -4.929
285 1HG1 ILE 36 HG11 ILE 36 10.229 -2.018 -2.018
286 2HG1 ILE 36 HG12 ILE 36 9.215 -2.737 -2.737
287 1HG2 ILE 36 HG22 ILE 36 12.888 -3.248 -3.248
288 2HG2 ILE 36 HG23 ILE 36 11.709 -3.218 -3.218
289 3HG2 ILE 36 HG21 ILE 36 12.389 -4.753 -4.753
290 1HD1 ILE 36 HD13 ILE 36 9.049 -4.622 -4.622
291 2HD1 ILE 36 HD11 ILE 36 9.173 -3.138 -3.138
292 3HD1 ILE 36 HD12 ILE 36 7.876 -3.326 -3.326
293 H GLN 37 HN GLN 37 11.492 -5.789 -5.789
294 HA GLN 37 HA GLN 37 14.192 -6.569 -6.569
295 1HB GLN 37 HB1 GLN 37 12.025 -8.060 -8.060
296 2HB GLN 37 HB2 GLN 37 12.708 -8.059 -8.059
297 1HG GLN 37 HG1 GLN 37 14.950 -8.578 -8.578
298 2HG GLN 37 HG2 GLN 37 13.777 -9.259 -9.259
299 1HE2 GLN 37 HE22 GLN 37 13.304 -12.139 -12.139
300 2HE2 GLN 37 HE21 GLN 37 13.147 -11.379 -11.379
301 H LYS 38 HN LYS 38 14.185 -4.166 -4.166
302 HA LYS 38 HA LYS 38 16.212 -4.543 -4.543
303 1HB LYS 38 HB1 LYS 38 13.619 -5.359 -5.359
304 2HB LYS 38 HB2 LYS 38 14.303 -4.046 -4.046
305 1HG LYS 38 HG1 LYS 38 16.015 -5.341 -5.341
306 2HG LYS 38 HG2 LYS 38 16.215 -6.172 -6.172
307 1HD LYS 38 HD1 LYS 38 15.096 -7.936 -7.936
308 2HD LYS 38 HD2 LYS 38 13.670 -6.916 -6.916
309 1HE LYS 38 HE1 LYS 38 15.914 -6.947 -6.947
310 2HE LYS 38 HE2 LYS 38 14.548 -8.058 -8.058
311 1HZ LYS 38 HZ2 LYS 38 14.075 -5.171 -5.171
312 2HZ LYS 38 HZ3 LYS 38 14.436 -5.800 -5.800
313 3HZ LYS 38 HZ1 LYS 38 13.071 -6.353 -6.353
314 1HN NH2 39 1HN NH2 39 13.703 -1.617 -1.617
315 2HN NH2 39 2HN NH2 39 13.201 -2.308 -2.308
Start of MODEL 2
1 1H2 SIN 0 1H2 SIN 0 14.906 0.258 0.258
2 2H2 SIN 0 2H2 SIN 0 14.322 0.828 0.828
3 1H3 SIN 0 1H3 SIN 0 12.632 1.379 1.379
4 2H3 SIN 0 2H3 SIN 0 13.445 2.887 2.887
5 H ASP 1 HN ASP 1 13.051 0.511 0.511
6 HA ASP 1 HA ASP 1 12.260 1.407 1.407
7 1HB ASP 1 HB1 ASP 1 14.797 2.020 2.020
8 2HB ASP 1 HB2 ASP 1 14.248 3.652 3.652
9 H TRP 2 HN TRP 2 13.245 4.274 4.274
10 HA TRP 2 HA TRP 2 10.971 5.795 5.795
11 1HB TRP 2 HB1 TRP 2 11.614 7.328 7.328
12 2HB TRP 2 HB2 TRP 2 13.110 6.660 6.660
13 HD1 TRP 2 HD1 TRP 2 14.593 5.371 5.371
14 HE1 TRP 2 HE1 TRP 2 14.486 4.604 4.604
15 HE3 TRP 2 HE3 TRP 2 9.770 6.510 6.510
16 HZ2 TRP 2 HZ2 TRP 2 12.505 4.495 4.495
17 HZ3 TRP 2 HZ3 TRP 2 8.776 6.057 6.057
18 HH2 TRP 2 HH2 TRP 2 10.134 5.059 5.059
19 H LEU 3 HN LEU 3 11.493 3.365 3.365
20 HA LEU 3 HA LEU 3 9.330 4.031 4.031
21 1HB LEU 3 HB1 LEU 3 9.985 2.219 2.219
22 2HB LEU 3 HB2 LEU 3 11.307 2.127 2.127
23 HG LEU 3 HG LEU 3 10.321 -0.049 -0.049
24 1HD1 LEU 3 HD12 LEU 3 10.431 1.450 1.450
25 2HD1 LEU 3 HD13 LEU 3 8.970 0.466 0.466
26 3HD1 LEU 3 HD11 LEU 3 10.535 -0.301 -0.301
27 1HD2 LEU 3 HD23 LEU 3 7.937 1.402 1.402
28 2HD2 LEU 3 HD21 LEU 3 8.138 -0.350 -0.350
29 3HD2 LEU 3 HD22 LEU 3 7.673 0.469 0.469
30 H LYS 4 HN LYS 4 9.344 2.625 2.625
31 HA LYS 4 HA LYS 4 6.844 1.264 1.264
32 1HB LYS 4 HB1 LYS 4 8.674 2.200 2.200
33 2HB LYS 4 HB2 LYS 4 7.059 2.751 2.751
34 1HG LYS 4 HG1 LYS 4 6.385 0.650 0.650
35 2HG LYS 4 HG2 LYS 4 7.077 -0.009 -0.009
36 1HD LYS 4 HD1 LYS 4 8.314 -1.029 -1.029
37 2HD LYS 4 HD2 LYS 4 9.361 0.257 0.257
38 1HE LYS 4 HE1 LYS 4 7.653 1.390 1.390
39 2HE LYS 4 HE2 LYS 4 8.324 -0.100 -0.100
40 1HZ LYS 4 HZ3 LYS 4 10.336 1.283 1.283
41 2HZ LYS 4 HZ1 LYS 4 9.596 2.356 2.356
42 3HZ LYS 4 HZ2 LYS 4 10.263 0.901 0.901
43 H ALA 5 HN ALA 5 7.736 4.635 4.635
44 HA ALA 5 HA ALA 5 5.076 5.687 5.687
45 1HB ALA 5 HB2 ALA 5 7.724 6.840 6.840
46 2HB ALA 5 HB3 ALA 5 6.260 7.822 7.822
47 3HB ALA 5 HB1 ALA 5 6.874 7.121 7.121
48 H ARG 6 HN ARG 6 7.087 4.855 4.855
49 HA ARG 6 HA ARG 6 5.600 6.098 6.098
50 1HB ARG 6 HB1 ARG 6 7.874 4.618 4.618
51 2HB ARG 6 HB2 ARG 6 6.764 3.408 3.408
52 1HG ARG 6 HG1 ARG 6 8.053 4.841 4.841
53 2HG ARG 6 HG2 ARG 6 6.320 4.643 4.643
54 1HD ARG 6 HD1 ARG 6 7.124 6.950 6.950
55 2HD ARG 6 HD2 ARG 6 7.573 7.052 7.052
56 HE ARG 6 HE ARG 6 4.748 6.517 6.517
57 1HH1 ARG 6 HH21 ARG 6 5.618 6.559 6.559
58 2HH1 ARG 6 HH22 ARG 6 5.175 8.168 8.168
59 1HH2 ARG 6 HH11 ARG 6 4.837 9.302 9.302
60 2HH2 ARG 6 HH12 ARG 6 4.734 9.722 9.722
61 H VAL 7 HN VAL 7 5.208 2.999 2.999
62 HA VAL 7 HA VAL 7 3.058 2.092 2.092
63 HB VAL 7 HB VAL 7 3.599 1.117 1.117
64 1HG1 VAL 7 HG13 VAL 7 2.182 0.168 0.168
65 2HG1 VAL 7 HG11 VAL 7 3.159 -1.049 -1.049
66 3HG1 VAL 7 HG12 VAL 7 1.885 -0.203 -0.203
67 1HG2 VAL 7 HG23 VAL 7 5.145 0.532 0.532
68 2HG2 VAL 7 HG21 VAL 7 5.779 1.222 1.222
69 3HG2 VAL 7 HG22 VAL 7 5.246 -0.458 -0.458
70 H GLU 8 HN GLU 8 3.230 3.508 3.508
71 HA GLU 8 HA GLU 8 0.524 3.422 3.422
72 1HB GLU 8 HB1 GLU 8 2.769 4.603 4.603
73 2HB GLU 8 HB2 GLU 8 1.814 6.008 6.008
74 1HG GLU 8 HG1 GLU 8 0.391 3.791 3.791
75 2HG GLU 8 HG2 GLU 8 1.472 4.796 4.796
76 H GLN 9 HN GLN 9 2.176 5.898 5.898
77 HA GLN 9 HA GLN 9 -0.086 7.557 7.557
78 1HB GLN 9 HB1 GLN 9 2.363 7.014 7.014
79 2HB GLN 9 HB2 GLN 9 1.165 8.240 8.240
80 1HG GLN 9 HG1 GLN 9 2.738 8.111 8.111
81 2HG GLN 9 HG2 GLN 9 3.051 9.224 9.224
82 1HE2 GLN 9 HE22 GLN 9 -0.553 10.427 10.427
83 2HE2 GLN 9 HE21 GLN 9 -0.053 9.329 9.329
84 H GLU 10 HN GLU 10 1.256 5.022 5.022
85 HA GLU 10 HA GLU 10 -0.659 5.031 5.031
86 1HB GLU 10 HB1 GLU 10 0.971 2.861 2.861
87 2HB GLU 10 HB2 GLU 10 -0.292 2.402 2.402
88 1HG GLU 10 HG1 GLU 10 1.069 4.602 4.602
89 2HG GLU 10 HG2 GLU 10 2.315 3.516 3.516
90 H LEU 11 HN LEU 11 -0.931 3.489 3.489
91 HA LEU 11 HA LEU 11 -3.489 2.289 2.289
92 1HB LEU 11 HB1 LEU 11 -2.154 3.031 3.031
93 2HB LEU 11 HB2 LEU 11 -3.596 2.024 2.024
94 HG LEU 11 HG LEU 11 -1.246 1.252 1.252
95 1HD1 LEU 11 HD11 LEU 11 -0.286 1.857 1.857
96 2HD1 LEU 11 HD12 LEU 11 -1.370 0.673 0.673
97 3HD1 LEU 11 HD13 LEU 11 -0.122 0.147 0.147
98 1HD2 LEU 11 HD23 LEU 11 -3.652 0.144 0.144
99 2HD2 LEU 11 HD21 LEU 11 -2.219 -0.837 -0.837
100 3HD2 LEU 11 HD22 LEU 11 -2.786 -0.597 -0.597
101 H GLN 12 HN GLN 12 -2.501 5.393 5.393
102 HA GLN 12 HA GLN 12 -5.108 6.205 6.205
103 1HB GLN 12 HB1 GLN 12 -2.758 7.269 7.269
104 2HB GLN 12 HB2 GLN 12 -3.073 8.175 8.175
105 1HG GLN 12 HG1 GLN 12 -5.422 8.602 8.602
106 2HG GLN 12 HG2 GLN 12 -4.503 8.275 8.275
107 1HE2 GLN 12 HE22 GLN 12 -3.229 11.549 11.549
108 2HE2 GLN 12 HE21 GLN 12 -3.782 10.208 10.208
109 H ALA 13 HN ALA 13 -3.577 6.164 6.164
110 HA ALA 13 HA ALA 13 -5.435 8.025 8.025
111 1HB ALA 13 HB1 ALA 13 -3.286 6.166 6.166
112 2HB ALA 13 HB2 ALA 13 -4.459 6.749 6.749
113 3HB ALA 13 HB3 ALA 13 -3.468 7.897 7.897
114 H LEU 14 HN LEU 14 -5.024 4.469 4.469
115 HA LEU 14 HA LEU 14 -7.527 4.142 4.142
116 1HB LEU 14 HB1 LEU 14 -5.584 2.257 2.257
117 2HB LEU 14 HB2 LEU 14 -7.131 1.670 1.670
118 HG LEU 14 HG LEU 14 -6.392 3.053 3.053
119 1HD1 LEU 14 HD12 LEU 14 -4.304 3.840 3.840
120 2HD1 LEU 14 HD13 LEU 14 -3.734 2.171 2.171
121 3HD1 LEU 14 HD11 LEU 14 -4.007 3.047 3.047
122 1HD2 LEU 14 HD23 LEU 14 -5.609 0.288 0.288
123 2HD2 LEU 14 HD21 LEU 14 -6.833 0.764 0.764
124 3HD2 LEU 14 HD22 LEU 14 -5.122 0.869 0.869
125 H GLU 15 HN GLU 15 -6.922 4.897 4.897
126 HA GLU 15 HA GLU 15 -9.449 3.551 3.551
127 1HB GLU 15 HB1 GLU 15 -7.327 2.916 2.916
128 2HB GLU 15 HB2 GLU 15 -7.232 4.583 4.583
129 1HG GLU 15 HG1 GLU 15 -9.805 4.018 4.018
130 2HG GLU 15 HG2 GLU 15 -9.097 2.409 2.409
131 H ALA 16 HN ALA 16 -7.933 6.576 6.576
132 HA ALA 16 HA ALA 16 -9.754 8.063 8.063
133 1HB ALA 16 HB2 ALA 16 -7.643 8.972 8.972
134 2HB ALA 16 HB3 ALA 16 -8.586 10.060 10.060
135 3HB ALA 16 HB1 ALA 16 -7.481 8.899 8.899
136 H ARG 17 HN ARG 17 -10.188 6.564 6.564
137 HA ARG 17 HA ARG 17 -12.300 8.503 8.503
138 1HB ARG 17 HB1 ARG 17 -10.027 7.575 7.575
139 2HB ARG 17 HB2 ARG 17 -11.581 7.994 7.994
140 1HG ARG 17 HG1 ARG 17 -10.507 9.927 9.927
141 2HG ARG 17 HG2 ARG 17 -9.619 9.809 9.809
142 1HD ARG 17 HD1 ARG 17 -12.621 10.036 10.036
143 2HD ARG 17 HD2 ARG 17 -11.627 11.481 11.481
144 HE ARG 17 HE ARG 17 -10.521 10.230 10.230
145 1HH1 ARG 17 HH11 ARG 17 -12.491 12.703 12.703
146 2HH1 ARG 17 HH12 ARG 17 -13.573 12.324 12.324
147 1HH2 ARG 17 HH21 ARG 17 -12.434 9.067 9.067
148 2HH2 ARG 17 HH22 ARG 17 -13.539 10.265 10.265
149 H GLY 18 HN GLY 18 -12.043 5.707 5.707
150 1HA GLY 18 HA1 GLY 18 -12.970 3.554 3.554
151 2HA GLY 18 HA2 GLY 18 -14.353 4.508 4.508
152 H THR 19 HN THR 19 -11.484 2.758 2.758
153 HA THR 19 HA THR 19 -12.779 2.415 2.415
154 HB THR 19 HB THR 19 -11.309 4.392 4.392
155 HG1 THR 19 HG1 THR 19 -10.139 2.115 2.115
156 1HG2 THR 19 HG21 THR 19 -9.650 2.999 2.999
157 2HG2 THR 19 HG22 THR 19 -8.795 2.938 2.938
158 3HG2 THR 19 HG23 THR 19 -9.250 4.494 4.494
159 H ASP 20 HN ASP 20 -13.007 0.237 0.237
160 HA ASP 20 HA ASP 20 -12.327 -1.999 -1.999
161 1HB ASP 20 HB1 ASP 20 -11.458 -1.435 -1.435
162 2HB ASP 20 HB2 ASP 20 -9.888 -1.144 -1.144
163 H SER 21 HN SER 21 -11.873 -0.870 -0.870
164 HA SER 21 HA SER 21 -9.442 -2.098 -2.098
165 1HB SER 21 HB1 SER 21 -9.069 0.449 0.449
166 2HB SER 21 HB2 SER 21 -9.373 0.747 0.747
167 HG SER 21 HG SER 21 -7.121 0.160 0.160
168 H ASN 22 HN ASN 22 -9.249 -0.490 -0.490
169 HA ASN 22 HA ASN 22 -10.233 -0.376 -0.376
170 1HB ASN 22 HB1 ASN 22 -12.961 -0.324 -0.324
171 2HB ASN 22 HB2 ASN 22 -12.333 0.616 0.616
172 1HD2 ASN 22 HD22 ASN 22 -12.227 2.202 2.202
173 2HD2 ASN 22 HD21 ASN 22 -13.116 0.811 0.811
174 H ALA 23 HN ALA 23 -10.195 -2.942 -2.942
175 HA ALA 23 HA ALA 23 -11.688 -4.579 -4.579
176 1HB ALA 23 HB1 ALA 23 -12.087 -4.468 -4.468
177 2HB ALA 23 HB2 ALA 23 -12.317 -5.999 -5.999
178 3HB ALA 23 HB3 ALA 23 -13.293 -4.595 -4.595
179 H GLU 24 HN GLU 24 -9.639 -4.783 -4.783
180 HA GLU 24 HA GLU 24 -8.400 -7.243 -7.243
181 1HB GLU 24 HB1 GLU 24 -7.866 -5.405 -5.405
182 2HB GLU 24 HB2 GLU 24 -6.902 -6.847 -6.847
183 1HG GLU 24 HG1 GLU 24 -9.895 -6.747 -6.747
184 2HG GLU 24 HG2 GLU 24 -8.673 -7.397 -7.397
185 H LEU 25 HN LEU 25 -8.070 -4.249 -4.249
186 HA LEU 25 HA LEU 25 -5.357 -3.547 -3.547
187 1HB LEU 25 HB1 LEU 25 -7.440 -3.314 -3.314
188 2HB LEU 25 HB2 LEU 25 -5.791 -2.746 -2.746
189 HG LEU 25 HG LEU 25 -7.023 -1.901 -1.901
190 1HD1 LEU 25 HD13 LEU 25 -8.953 -1.737 -1.737
191 2HD1 LEU 25 HD11 LEU 25 -7.972 -0.783 -0.783
192 3HD1 LEU 25 HD12 LEU 25 -8.375 -0.141 -0.141
193 1HD2 LEU 25 HD22 LEU 25 -4.882 -1.170 -1.170
194 2HD2 LEU 25 HD23 LEU 25 -5.379 -0.369 -0.369
195 3HD2 LEU 25 HD21 LEU 25 -6.021 0.175 0.175
196 H ARG 26 HN ARG 26 -6.922 -6.156 -6.156
197 HA ARG 26 HA ARG 26 -4.808 -6.771 -6.771
198 1HB ARG 26 HB1 ARG 26 -6.738 -8.698 -8.698
199 2HB ARG 26 HB2 ARG 26 -5.827 -8.992 -8.992
200 1HG ARG 26 HG1 ARG 26 -7.998 -6.922 -6.922
201 2HG ARG 26 HG2 ARG 26 -8.061 -8.321 -8.321
202 1HD ARG 26 HD1 ARG 26 -7.363 -6.867 -6.867
203 2HD ARG 26 HD2 ARG 26 -5.776 -7.044 -7.044
204 HE ARG 26 HE ARG 26 -7.240 -5.013 -5.013
205 1HH1 ARG 26 HH11 ARG 26 -4.872 -5.641 -5.641
206 2HH1 ARG 26 HH12 ARG 26 -4.826 -4.027 -4.027
207 1HH2 ARG 26 HH21 ARG 26 -7.542 -2.941 -2.941
208 2HH2 ARG 26 HH22 ARG 26 -6.340 -2.500 -2.500
209 H ALA 27 HN ALA 27 -5.429 -7.882 -7.882
210 HA ALA 27 HA ALA 27 -3.238 -9.692 -9.692
211 1HB ALA 27 HB1 ALA 27 -5.229 -9.222 -9.222
212 2HB ALA 27 HB2 ALA 27 -4.092 -8.085 -8.085
213 3HB ALA 27 HB3 ALA 27 -3.683 -9.797 -9.797
214 H MET 28 HN MET 28 -3.457 -6.286 -6.286
215 HA MET 28 HA MET 28 -0.745 -6.027 -6.027
216 1HB MET 28 HB1 MET 28 -2.512 -4.354 -4.354
217 2HB MET 28 HB2 MET 28 -2.535 -3.888 -3.888
218 1HG MET 28 HG1 MET 28 -0.664 -2.634 -2.634
219 2HG MET 28 HG2 MET 28 0.169 -3.907 -3.907
220 1HE MET 28 HE2 MET 28 -0.144 -4.574 -4.574
221 2HE MET 28 HE3 MET 28 -1.646 -4.210 -4.210
222 3HE MET 28 HE1 MET 28 -0.133 -3.453 -3.453
223 H GLU 29 HN GLU 29 -2.125 -6.286 -6.286
224 HA GLU 29 HA GLU 29 -0.084 -4.870 -4.870
225 1HB GLU 29 HB1 GLU 29 -2.217 -5.392 -5.392
226 2HB GLU 29 HB2 GLU 29 -1.936 -7.120 -7.120
227 1HG GLU 29 HG1 GLU 29 0.356 -6.301 -6.301
228 2HG GLU 29 HG2 GLU 29 -0.885 -5.294 -5.294
229 H ALA 30 HN ALA 30 -0.542 -8.346 -8.346
230 HA ALA 30 HA ALA 30 1.831 -9.257 -9.257
231 1HB ALA 30 HB1 ALA 30 -0.232 -10.365 -10.365
232 2HB ALA 30 HB2 ALA 30 1.272 -10.751 -10.751
233 3HB ALA 30 HB3 ALA 30 1.047 -11.237 -11.237
234 H LYS 31 HN LYS 31 1.262 -8.215 -8.215
235 HA LYS 31 HA LYS 31 3.904 -8.685 -8.685
236 1HB LYS 31 HB1 LYS 31 1.594 -7.013 -7.013
237 2HB LYS 31 HB2 LYS 31 3.175 -6.619 -6.619
238 1HG LYS 31 HG1 LYS 31 3.393 -9.126 -9.126
239 2HG LYS 31 HG2 LYS 31 1.667 -9.234 -9.234
240 1HD LYS 31 HD1 LYS 31 1.114 -8.265 -8.265
241 2HD LYS 31 HD2 LYS 31 2.337 -7.008 -7.008
242 1HE LYS 31 HE1 LYS 31 3.660 -8.071 -8.071
243 2HE LYS 31 HE2 LYS 31 3.669 -9.503 -9.503
244 1HZ LYS 31 HZ2 LYS 31 1.372 -9.932 -9.932
245 2HZ LYS 31 HZ3 LYS 31 1.852 -8.837 -8.837
246 3HZ LYS 31 HZ1 LYS 31 2.744 -10.256 -10.256
247 H LEU 32 HN LEU 32 2.635 -6.245 -6.245
248 HA LEU 32 HA LEU 32 4.216 -4.014 -4.014
249 1HB LEU 32 HB1 LEU 32 2.668 -4.068 -4.068
250 2HB LEU 32 HB2 LEU 32 3.532 -5.406 -5.406
251 HG LEU 32 HG LEU 32 5.547 -3.886 -3.886
252 1HD1 LEU 32 HD13 LEU 32 4.082 -2.298 -2.298
253 2HD1 LEU 32 HD11 LEU 32 3.907 -1.465 -1.465
254 3HD1 LEU 32 HD12 LEU 32 5.514 -1.785 -1.785
255 1HD2 LEU 32 HD23 LEU 32 4.007 -4.278 -4.278
256 2HD2 LEU 32 HD21 LEU 32 4.672 -2.645 -2.645
257 3HD2 LEU 32 HD22 LEU 32 3.021 -2.917 -2.917
258 H LYS 33 HN LYS 33 5.270 -6.548 -6.548
259 HA LYS 33 HA LYS 33 7.978 -5.715 -5.715
260 1HB LYS 33 HB1 LYS 33 6.524 -8.229 -8.229
261 2HB LYS 33 HB2 LYS 33 8.285 -8.289 -8.289
262 1HG LYS 33 HG1 LYS 33 8.410 -6.360 -6.360
263 2HG LYS 33 HG2 LYS 33 6.651 -6.369 -6.369
264 1HD LYS 33 HD1 LYS 33 6.884 -8.826 -8.826
265 2HD LYS 33 HD2 LYS 33 8.604 -8.487 -8.487
266 1HE LYS 33 HE1 LYS 33 8.263 -7.184 -7.184
267 2HE LYS 33 HE2 LYS 33 6.746 -6.529 -6.529
268 1HZ LYS 33 HZ1 LYS 33 5.702 -8.681 -8.681
269 2HZ LYS 33 HZ2 LYS 33 7.158 -9.233 -9.233
270 3HZ LYS 33 HZ3 LYS 33 6.316 -7.945 -7.945
271 H ALA 34 HN ALA 34 6.250 -7.709 -7.709
272 HA ALA 34 HA ALA 34 8.368 -9.106 -9.106
273 1HB ALA 34 HB1 ALA 34 5.876 -9.229 -9.229
274 2HB ALA 34 HB2 ALA 34 6.125 -7.796 -7.796
275 3HB ALA 34 HB3 ALA 34 6.974 -9.295 -9.295
276 H GLU 35 HN GLU 35 7.437 -5.712 -5.712
277 HA GLU 35 HA GLU 35 9.290 -5.215 -5.215
278 1HB GLU 35 HB1 GLU 35 7.831 -3.327 -3.327
279 2HB GLU 35 HB2 GLU 35 8.771 -2.815 -2.815
280 1HG GLU 35 HG1 GLU 35 7.138 -3.431 -3.431
281 2HG GLU 35 HG2 GLU 35 6.826 -4.940 -4.940
282 H ILE 36 HN ILE 36 9.314 -4.675 -4.675
283 HA ILE 36 HA ILE 36 11.695 -3.218 -3.218
284 HB ILE 36 HB ILE 36 10.877 -5.490 -5.490
285 1HG1 ILE 36 HG11 ILE 36 8.907 -4.163 -4.163
286 2HG1 ILE 36 HG12 ILE 36 9.694 -3.543 -3.543
287 1HG2 ILE 36 HG22 ILE 36 12.943 -3.459 -3.459
288 2HG2 ILE 36 HG23 ILE 36 11.826 -3.194 -3.194
289 3HG2 ILE 36 HG21 ILE 36 12.643 -4.747 -4.747
290 1HD1 ILE 36 HD12 ILE 36 10.765 -1.768 -1.768
291 2HD1 ILE 36 HD13 ILE 36 9.791 -2.337 -2.337
292 3HD1 ILE 36 HD11 ILE 36 9.006 -1.654 -1.654
293 H GLN 37 HN GLN 37 11.287 -6.725 -6.725
294 HA GLN 37 HA GLN 37 13.961 -7.529 -7.529
295 1HB GLN 37 HB1 GLN 37 11.666 -8.811 -8.811
296 2HB GLN 37 HB2 GLN 37 12.545 -8.821 -8.821
297 1HG GLN 37 HG1 GLN 37 13.474 -9.912 -9.912
298 2HG GLN 37 HG2 GLN 37 13.178 -10.819 -10.819
299 1HE2 GLN 37 HE21 GLN 37 15.561 -9.044 -9.044
300 2HE2 GLN 37 HE22 GLN 37 16.770 -9.053 -9.053
301 H LYS 38 HN LYS 38 12.366 -6.371 -6.371
302 HA LYS 38 HA LYS 38 14.700 -6.583 -6.583
303 1HB LYS 38 HB1 LYS 38 11.997 -5.506 -5.506
304 2HB LYS 38 HB2 LYS 38 13.185 -4.508 -4.508
305 1HG LYS 38 HG1 LYS 38 12.619 -6.101 -6.101
306 2HG LYS 38 HG2 LYS 38 14.076 -6.793 -6.793
307 1HD LYS 38 HD1 LYS 38 12.739 -8.251 -8.251
308 2HD LYS 38 HD2 LYS 38 11.251 -7.483 -7.483
309 1HE LYS 38 HE1 LYS 38 11.192 -8.761 -8.761
310 2HE LYS 38 HE2 LYS 38 12.881 -8.413 -8.413
311 1HZ LYS 38 HZ1 LYS 38 12.406 -10.189 -10.189
312 2HZ LYS 38 HZ2 LYS 38 12.006 -10.813 -10.813
313 3HZ LYS 38 HZ3 LYS 38 13.585 -10.268 -10.268
314 1HN NH2 39 1HN NH2 39 14.190 -2.703 -2.703
315 2HN NH2 39 2HN NH2 39 13.739 -3.744 -3.744
Start of MODEL 3
1 1H2 SIN 0 1H2 SIN 0 -17.594 0.516 0.516
2 2H2 SIN 0 2H2 SIN 0 -16.593 0.516 0.516
3 1H3 SIN 0 1H3 SIN 0 -15.340 0.986 0.986
4 2H3 SIN 0 2H3 SIN 0 -16.139 2.313 2.313
5 H ASP 1 HN ASP 1 -13.493 2.768 2.768
6 HA ASP 1 HA ASP 1 -11.969 2.248 2.248
7 1HB ASP 1 HB1 ASP 1 -14.208 2.917 2.917
8 2HB ASP 1 HB2 ASP 1 -13.849 4.553 4.553
9 H TRP 2 HN TRP 2 -13.336 5.359 5.359
10 HA TRP 2 HA TRP 2 -10.915 6.737 6.737
11 1HB TRP 2 HB1 TRP 2 -11.929 8.342 8.342
12 2HB TRP 2 HB2 TRP 2 -13.207 7.720 7.720
13 HD1 TRP 2 HD1 TRP 2 -14.797 5.838 5.838
14 HE1 TRP 2 HE1 TRP 2 -15.589 5.469 5.469
15 HE3 TRP 2 HE3 TRP 2 -11.252 8.523 8.523
16 HZ2 TRP 2 HZ2 TRP 2 -14.780 6.234 6.234
17 HZ3 TRP 2 HZ3 TRP 2 -11.273 8.701 8.701
18 HH2 TRP 2 HH2 TRP 2 -13.032 7.554 7.554
19 H LEU 3 HN LEU 3 -12.089 4.327 4.327
20 HA LEU 3 HA LEU 3 -10.543 4.919 4.919
21 1HB LEU 3 HB1 LEU 3 -11.986 2.655 2.655
22 2HB LEU 3 HB2 LEU 3 -10.459 2.111 2.111
23 HG LEU 3 HG LEU 3 -12.247 2.159 2.159
24 1HD1 LEU 3 HD13 LEU 3 -9.692 3.272 3.272
25 2HD1 LEU 3 HD11 LEU 3 -10.746 4.429 4.429
26 3HD1 LEU 3 HD12 LEU 3 -10.713 2.747 2.747
27 1HD2 LEU 3 HD21 LEU 3 -12.890 4.598 4.598
28 2HD2 LEU 3 HD22 LEU 3 -13.751 3.831 3.831
29 3HD2 LEU 3 HD23 LEU 3 -12.467 4.994 4.994
30 H LYS 4 HN LYS 4 -9.677 3.045 3.045
31 HA LYS 4 HA LYS 4 -7.165 2.102 2.102
32 1HB LYS 4 HB1 LYS 4 -8.388 3.229 3.229
33 2HB LYS 4 HB2 LYS 4 -6.631 3.071 3.071
34 1HG LYS 4 HG1 LYS 4 -7.047 0.670 0.670
35 2HG LYS 4 HG2 LYS 4 -8.715 0.914 0.914
36 1HD LYS 4 HD1 LYS 4 -8.053 0.306 0.306
37 2HD LYS 4 HD2 LYS 4 -7.151 1.819 1.819
38 1HE LYS 4 HE1 LYS 4 -5.213 0.673 0.673
39 2HE LYS 4 HE2 LYS 4 -6.119 -0.840 -0.840
40 1HZ LYS 4 HZ2 LYS 4 -5.818 0.686 0.686
41 2HZ LYS 4 HZ3 LYS 4 -4.495 -0.218 -0.218
42 3HZ LYS 4 HZ1 LYS 4 -5.968 -0.990 -0.990
43 H ALA 5 HN ALA 5 -8.063 5.455 5.455
44 HA ALA 5 HA ALA 5 -5.365 6.496 6.496
45 1HB ALA 5 HB3 ALA 5 -7.834 7.531 7.531
46 2HB ALA 5 HB1 ALA 5 -7.521 8.281 8.281
47 3HB ALA 5 HB2 ALA 5 -6.379 8.500 8.500
48 H ARG 6 HN ARG 6 -7.967 6.292 6.292
49 HA ARG 6 HA ARG 6 -6.632 7.484 7.484
50 1HB ARG 6 HB1 ARG 6 -8.578 5.161 5.161
51 2HB ARG 6 HB2 ARG 6 -8.036 5.919 5.919
52 1HG ARG 6 HG1 ARG 6 -9.039 7.766 7.766
53 2HG ARG 6 HG2 ARG 6 -10.243 6.717 6.717
54 1HD ARG 6 HD1 ARG 6 -10.296 8.374 8.374
55 2HD ARG 6 HD2 ARG 6 -8.884 7.526 7.526
56 HE ARG 6 HE ARG 6 -8.041 9.419 9.419
57 1HH1 ARG 6 HH21 ARG 6 -7.874 8.759 8.759
58 2HH1 ARG 6 HH22 ARG 6 -7.798 10.403 10.403
59 1HH2 ARG 6 HH11 ARG 6 -8.578 11.738 11.738
60 2HH2 ARG 6 HH12 ARG 6 -8.202 12.088 12.088
61 H VAL 7 HN VAL 7 -6.562 4.091 4.091
62 HA VAL 7 HA VAL 7 -4.751 3.216 3.216
63 HB VAL 7 HB VAL 7 -5.040 1.867 1.867
64 1HG1 VAL 7 HG13 VAL 7 -3.607 0.993 0.993
65 2HG1 VAL 7 HG11 VAL 7 -5.118 0.727 0.727
66 3HG1 VAL 7 HG12 VAL 7 -4.806 -0.132 -0.132
67 1HG2 VAL 7 HG21 VAL 7 -7.178 2.502 2.502
68 2HG2 VAL 7 HG22 VAL 7 -7.301 2.116 2.116
69 3HG2 VAL 7 HG23 VAL 7 -7.113 0.822 0.822
70 H GLU 8 HN GLU 8 -4.364 4.591 4.591
71 HA GLU 8 HA GLU 8 -1.589 3.866 3.866
72 1HB GLU 8 HB1 GLU 8 -3.540 5.128 5.128
73 2HB GLU 8 HB2 GLU 8 -2.319 6.372 6.372
74 1HG GLU 8 HG1 GLU 8 -1.341 5.338 5.338
75 2HG GLU 8 HG2 GLU 8 -0.698 4.289 4.289
76 H GLN 9 HN GLN 9 -3.262 6.457 6.457
77 HA GLN 9 HA GLN 9 -0.989 8.193 8.193
78 1HB GLN 9 HB1 GLN 9 -3.739 8.075 8.075
79 2HB GLN 9 HB2 GLN 9 -2.631 8.627 8.627
80 1HG GLN 9 HG1 GLN 9 -1.725 10.006 10.006
81 2HG GLN 9 HG2 GLN 9 -3.465 9.961 9.961
82 1HE2 GLN 9 HE22 GLN 9 -3.860 11.472 11.472
83 2HE2 GLN 9 HE21 GLN 9 -4.211 9.929 9.929
84 H GLU 10 HN GLU 10 -2.515 5.854 5.854
85 HA GLU 10 HA GLU 10 -0.591 6.101 6.101
86 1HB GLU 10 HB1 GLU 10 -2.165 3.627 3.627
87 2HB GLU 10 HB2 GLU 10 -1.428 3.947 3.947
88 1HG GLU 10 HG1 GLU 10 -3.665 5.524 5.524
89 2HG GLU 10 HG2 GLU 10 -3.799 4.493 4.493
90 H LEU 11 HN LEU 11 -0.732 3.825 3.825
91 HA LEU 11 HA LEU 11 1.640 2.395 2.395
92 1HB LEU 11 HB1 LEU 11 0.417 3.016 3.016
93 2HB LEU 11 HB2 LEU 11 1.683 1.820 1.820
94 HG LEU 11 HG LEU 11 -0.961 1.761 1.761
95 1HD1 LEU 11 HD11 LEU 11 -0.218 0.789 0.789
96 2HD1 LEU 11 HD12 LEU 11 -1.245 -0.246 -0.246
97 3HD1 LEU 11 HD13 LEU 11 -1.766 1.391 1.391
98 1HD2 LEU 11 HD21 LEU 11 1.077 0.521 0.521
99 2HD2 LEU 11 HD22 LEU 11 -0.322 -0.496 -0.496
100 3HD2 LEU 11 HD23 LEU 11 1.028 -0.445 -0.445
101 H GLN 12 HN GLN 12 1.148 5.566 5.566
102 HA GLN 12 HA GLN 12 3.707 5.893 5.893
103 1HB GLN 12 HB1 GLN 12 1.406 7.476 7.476
104 2HB GLN 12 HB2 GLN 12 2.746 8.361 8.361
105 1HG GLN 12 HG1 GLN 12 3.553 7.218 7.218
106 2HG GLN 12 HG2 GLN 12 2.106 8.205 8.205
107 1HE2 GLN 12 HE22 GLN 12 5.515 10.032 10.032
108 2HE2 GLN 12 HE21 GLN 12 5.274 8.381 8.381
109 H ALA 13 HN ALA 13 2.568 6.463 6.463
110 HA ALA 13 HA ALA 13 5.038 7.644 7.644
111 1HB ALA 13 HB3 ALA 13 2.730 6.325 6.325
112 2HB ALA 13 HB1 ALA 13 4.095 7.063 7.063
113 3HB ALA 13 HB2 ALA 13 3.042 8.052 8.052
114 H LEU 14 HN LEU 14 4.006 4.381 4.381
115 HA LEU 14 HA LEU 14 5.916 3.127 3.127
116 1HB LEU 14 HB1 LEU 14 3.723 2.179 2.179
117 2HB LEU 14 HB2 LEU 14 4.880 1.710 1.710
118 HG LEU 14 HG LEU 14 5.118 1.024 1.024
119 1HD1 LEU 14 HD11 LEU 14 4.144 -0.519 -0.519
120 2HD1 LEU 14 HD12 LEU 14 4.759 -1.337 -1.337
121 3HD1 LEU 14 HD13 LEU 14 3.340 -0.297 -0.297
122 1HD2 LEU 14 HD22 LEU 14 6.895 0.780 0.780
123 2HD2 LEU 14 HD23 LEU 14 7.304 0.842 0.842
124 3HD2 LEU 14 HD21 LEU 14 6.760 -0.672 -0.672
125 H GLU 15 HN GLU 15 5.782 3.246 3.246
126 HA GLU 15 HA GLU 15 8.602 2.517 2.517
127 1HB GLU 15 HB1 GLU 15 8.287 2.615 2.615
128 2HB GLU 15 HB2 GLU 15 6.803 1.933 1.933
129 1HG GLU 15 HG1 GLU 15 5.818 4.248 4.248
130 2HG GLU 15 HG2 GLU 15 7.267 4.806 4.806
131 H ALA 16 HN ALA 16 7.046 5.379 5.379
132 HA ALA 16 HA ALA 16 8.659 7.245 7.245
133 1HB ALA 16 HB3 ALA 16 6.756 7.398 7.398
134 2HB ALA 16 HB1 ALA 16 7.900 8.728 8.728
135 3HB ALA 16 HB2 ALA 16 6.792 8.331 8.331
136 H ARG 17 HN ARG 17 8.848 5.970 5.970
137 HA ARG 17 HA ARG 17 11.419 7.351 7.351
138 1HB ARG 17 HB1 ARG 17 9.370 6.337 6.337
139 2HB ARG 17 HB2 ARG 17 10.833 5.421 5.421
140 1HG ARG 17 HG1 ARG 17 12.010 7.318 7.318
141 2HG ARG 17 HG2 ARG 17 11.009 8.404 8.404
142 1HD ARG 17 HD1 ARG 17 9.504 6.942 6.942
143 2HD ARG 17 HD2 ARG 17 10.750 7.999 7.999
144 HE ARG 17 HE ARG 17 9.638 9.789 9.789
145 1HH1 ARG 17 HH11 ARG 17 7.349 8.783 8.783
146 2HH1 ARG 17 HH12 ARG 17 6.115 8.827 8.827
147 1HH2 ARG 17 HH21 ARG 17 8.347 9.131 9.131
148 2HH2 ARG 17 HH22 ARG 17 6.680 9.025 9.025
149 H GLY 18 HN GLY 18 11.471 5.495 5.495
150 1HA GLY 18 HA1 GLY 18 12.597 3.566 3.566
151 2HA GLY 18 HA2 GLY 18 13.823 4.078 4.078
152 H THR 19 HN THR 19 13.922 3.021 3.021
153 HA THR 19 HA THR 19 13.578 1.275 1.275
154 HB THR 19 HB THR 19 10.830 0.957 0.957
155 HG1 THR 19 HG1 THR 19 10.433 2.893 2.893
156 1HG2 THR 19 HG21 THR 19 12.239 0.049 0.049
157 2HG2 THR 19 HG22 THR 19 10.647 0.740 0.740
158 3HG2 THR 19 HG23 THR 19 10.815 -0.623 -0.623
159 H ASP 20 HN ASP 20 14.551 0.832 0.832
160 HA ASP 20 HA ASP 20 14.970 -0.957 -0.957
161 1HB ASP 20 HB1 ASP 20 14.582 -2.582 -2.582
162 2HB ASP 20 HB2 ASP 20 15.541 -3.031 -3.031
163 H SER 21 HN SER 21 12.350 -0.159 -0.159
164 HA SER 21 HA SER 21 10.794 -2.683 -2.683
165 1HB SER 21 HB1 SER 21 9.616 0.058 0.058
166 2HB SER 21 HB2 SER 21 8.824 -1.402 -1.402
167 HG SER 21 HG SER 21 9.216 -0.503 -0.503
168 H ASN 22 HN ASN 22 12.771 -1.288 -1.288
169 HA ASN 22 HA ASN 22 10.995 -1.041 -1.041
170 1HB ASN 22 HB1 ASN 22 13.432 0.104 0.104
171 2HB ASN 22 HB2 ASN 22 13.870 -1.083 -1.083
172 1HD2 ASN 22 HD22 ASN 22 11.708 2.220 2.220
173 2HD2 ASN 22 HD21 ASN 22 12.061 1.894 1.894
174 H ALA 23 HN ALA 23 11.569 -3.637 -3.637
175 HA ALA 23 HA ALA 23 12.469 -5.216 -5.216
176 1HB ALA 23 HB3 ALA 23 12.832 -5.720 -5.720
177 2HB ALA 23 HB1 ALA 23 13.057 -6.984 -6.984
178 3HB ALA 23 HB2 ALA 23 14.086 -5.551 -5.551
179 H GLU 24 HN GLU 24 10.262 -5.081 -5.081
180 HA GLU 24 HA GLU 24 8.724 -7.363 -7.363
181 1HB GLU 24 HB1 GLU 24 8.237 -5.472 -5.472
182 2HB GLU 24 HB2 GLU 24 7.290 -6.922 -6.922
183 1HG GLU 24 HG1 GLU 24 10.279 -6.882 -6.882
184 2HG GLU 24 HG2 GLU 24 9.054 -7.324 -7.324
185 H LEU 25 HN LEU 25 8.989 -4.532 -4.532
186 HA LEU 25 HA LEU 25 6.525 -3.187 -3.187
187 1HB LEU 25 HB1 LEU 25 8.407 -3.662 -3.662
188 2HB LEU 25 HB2 LEU 25 7.085 -2.495 -2.495
189 HG LEU 25 HG LEU 25 9.117 -2.438 -2.438
190 1HD1 LEU 25 HD13 LEU 25 9.777 -2.155 -2.155
191 2HD1 LEU 25 HD11 LEU 25 9.718 -0.523 -0.523
192 3HD1 LEU 25 HD12 LEU 25 10.777 -1.732 -1.732
193 1HD2 LEU 25 HD22 LEU 25 6.815 -1.007 -1.007
194 2HD2 LEU 25 HD23 LEU 25 8.108 -0.468 -0.468
195 3HD2 LEU 25 HD21 LEU 25 8.089 0.046 0.046
196 H ARG 26 HN ARG 26 7.345 -6.264 -6.264
197 HA ARG 26 HA ARG 26 4.933 -6.359 -6.359
198 1HB ARG 26 HB1 ARG 26 7.317 -7.660 -7.660
199 2HB ARG 26 HB2 ARG 26 6.331 -8.886 -8.886
200 1HG ARG 26 HG1 ARG 26 6.141 -9.198 -9.198
201 2HG ARG 26 HG2 ARG 26 4.605 -8.569 -8.569
202 1HD ARG 26 HD1 ARG 26 5.388 -7.415 -7.415
203 2HD ARG 26 HD2 ARG 26 5.212 -6.314 -6.314
204 HE ARG 26 HE ARG 26 7.906 -7.450 -7.450
205 1HH1 ARG 26 HH11 ARG 26 7.099 -4.971 -4.971
206 2HH1 ARG 26 HH12 ARG 26 7.683 -3.706 -3.706
207 1HH2 ARG 26 HH21 ARG 26 8.055 -5.763 -5.763
208 2HH2 ARG 26 HH22 ARG 26 8.223 -4.154 -4.154
209 H ALA 27 HN ALA 27 5.947 -7.522 -7.522
210 HA ALA 27 HA ALA 27 3.612 -9.192 -9.192
211 1HB ALA 27 HB1 ALA 27 6.055 -8.725 -8.725
212 2HB ALA 27 HB2 ALA 27 4.755 -8.355 -8.355
213 3HB ALA 27 HB3 ALA 27 4.833 -9.942 -9.942
214 H MET 28 HN MET 28 4.148 -5.838 -5.838
215 HA MET 28 HA MET 28 2.283 -5.146 -5.146
216 1HB MET 28 HB1 MET 28 3.988 -3.555 -3.555
217 2HB MET 28 HB2 MET 28 3.257 -3.534 -3.534
218 1HG MET 28 HG1 MET 28 1.087 -2.950 -2.950
219 2HG MET 28 HG2 MET 28 2.364 -2.229 -2.229
220 1HE MET 28 HE3 MET 28 0.351 -2.465 -2.465
221 2HE MET 28 HE1 MET 28 -0.194 -0.896 -0.896
222 3HE MET 28 HE2 MET 28 0.592 -1.008 -1.008
223 H GLU 29 HN GLU 29 2.004 -5.552 -5.552
224 HA GLU 29 HA GLU 29 -0.654 -4.595 -4.595
225 1HB GLU 29 HB1 GLU 29 0.738 -6.826 -6.826
226 2HB GLU 29 HB2 GLU 29 -0.728 -5.998 -5.998
227 1HG GLU 29 HG1 GLU 29 1.288 -4.052 -4.052
228 2HG GLU 29 HG2 GLU 29 1.955 -5.215 -5.215
229 H ALA 30 HN ALA 30 0.578 -7.719 -7.719
230 HA ALA 30 HA ALA 30 -1.842 -9.192 -9.192
231 1HB ALA 30 HB3 ALA 30 0.578 -9.961 -9.961
232 2HB ALA 30 HB1 ALA 30 0.147 -9.535 -9.535
233 3HB ALA 30 HB2 ALA 30 -0.771 -10.772 -10.772
234 H LYS 31 HN LYS 31 -0.422 -7.746 -7.746
235 HA LYS 31 HA LYS 31 -2.772 -7.990 -7.990
236 1HB LYS 31 HB1 LYS 31 -0.381 -6.159 -6.159
237 2HB LYS 31 HB2 LYS 31 -1.699 -6.059 -6.059
238 1HG LYS 31 HG1 LYS 31 -1.400 -8.497 -8.497
239 2HG LYS 31 HG2 LYS 31 -0.008 -8.503 -8.503
240 1HD LYS 31 HD1 LYS 31 1.276 -7.832 -7.832
241 2HD LYS 31 HD2 LYS 31 0.363 -6.323 -6.323
242 1HE LYS 31 HE1 LYS 31 0.085 -7.191 -7.191
243 2HE LYS 31 HE2 LYS 31 -1.391 -7.691 -7.691
244 1HZ LYS 31 HZ1 LYS 31 -0.192 -9.812 -9.812
245 2HZ LYS 31 HZ2 LYS 31 1.018 -9.321 -9.321
246 3HZ LYS 31 HZ3 LYS 31 -0.569 -9.581 -9.581
247 H LEU 32 HN LEU 32 -1.880 -5.630 -5.630
248 HA LEU 32 HA LEU 32 -3.481 -3.439 -3.439
249 1HB LEU 32 HB1 LEU 32 -1.988 -3.422 -3.422
250 2HB LEU 32 HB2 LEU 32 -3.041 -4.575 -4.575
251 HG LEU 32 HG LEU 32 -4.906 -2.792 -2.792
252 1HD1 LEU 32 HD12 LEU 32 -2.470 -1.469 -1.469
253 2HD1 LEU 32 HD13 LEU 32 -3.263 -0.556 -0.556
254 3HD1 LEU 32 HD11 LEU 32 -4.147 -0.956 -0.956
255 1HD2 LEU 32 HD22 LEU 32 -2.847 -2.985 -2.985
256 2HD2 LEU 32 HD23 LEU 32 -4.606 -2.995 -2.995
257 3HD2 LEU 32 HD21 LEU 32 -3.743 -1.466 -1.466
258 H LYS 33 HN LYS 33 -4.470 -6.231 -6.231
259 HA LYS 33 HA LYS 33 -7.187 -5.511 -5.511
260 1HB LYS 33 HB1 LYS 33 -5.714 -7.581 -7.581
261 2HB LYS 33 HB2 LYS 33 -6.575 -8.397 -8.397
262 1HG LYS 33 HG1 LYS 33 -8.554 -6.883 -6.883
263 2HG LYS 33 HG2 LYS 33 -7.573 -7.449 -7.449
264 1HD LYS 33 HD1 LYS 33 -7.705 -9.772 -9.772
265 2HD LYS 33 HD2 LYS 33 -8.961 -9.104 -9.104
266 1HE LYS 33 HE1 LYS 33 -10.394 -8.654 -8.654
267 2HE LYS 33 HE2 LYS 33 -9.089 -8.874 -8.874
268 1HZ LYS 33 HZ2 LYS 33 -10.069 -11.037 -11.037
269 2HZ LYS 33 HZ3 LYS 33 -10.662 -10.782 -10.782
270 3HZ LYS 33 HZ1 LYS 33 -9.031 -11.182 -11.182
271 H ALA 34 HN ALA 34 -5.486 -7.038 -7.038
272 HA ALA 34 HA ALA 34 -7.830 -7.856 -7.856
273 1HB ALA 34 HB1 ALA 34 -5.327 -8.511 -8.511
274 2HB ALA 34 HB2 ALA 34 -5.252 -7.044 -7.044
275 3HB ALA 34 HB3 ALA 34 -6.363 -8.341 -8.341
276 H GLU 35 HN GLU 35 -6.011 -4.840 -4.840
277 HA GLU 35 HA GLU 35 -7.234 -3.563 -3.563
278 1HB GLU 35 HB1 GLU 35 -5.644 -2.699 -2.699
279 2HB GLU 35 HB2 GLU 35 -6.640 -1.463 -1.463
280 1HG GLU 35 HG1 GLU 35 -5.589 -1.880 -1.880
281 2HG GLU 35 HG2 GLU 35 -4.706 -3.260 -3.260
282 H ILE 36 HN ILE 36 -7.959 -3.369 -3.369
283 HA ILE 36 HA ILE 36 -10.210 -1.678 -1.678
284 HB ILE 36 HB ILE 36 -9.618 -3.920 -3.920
285 1HG1 ILE 36 HG11 ILE 36 -9.513 -1.314 -1.314
286 2HG1 ILE 36 HG12 ILE 36 -8.606 -1.254 -1.254
287 1HG2 ILE 36 HG23 ILE 36 -12.057 -3.354 -3.354
288 2HG2 ILE 36 HG21 ILE 36 -11.650 -1.681 -1.681
289 3HG2 ILE 36 HG22 ILE 36 -11.341 -2.956 -2.956
290 1HD1 ILE 36 HD13 ILE 36 -8.210 -3.512 -3.512
291 2HD1 ILE 36 HD11 ILE 36 -7.346 -1.986 -1.986
292 3HD1 ILE 36 HD12 ILE 36 -7.120 -2.953 -2.953
293 H GLN 37 HN GLN 37 -9.929 -5.166 -5.166
294 HA GLN 37 HA GLN 37 -12.636 -5.907 -5.907
295 1HB GLN 37 HB1 GLN 37 -10.255 -6.865 -6.865
296 2HB GLN 37 HB2 GLN 37 -11.855 -7.548 -7.548
297 1HG GLN 37 HG1 GLN 37 -11.970 -7.902 -7.902
298 2HG GLN 37 HG2 GLN 37 -10.233 -7.591 -7.591
299 1HE2 GLN 37 HE22 GLN 37 -10.025 -10.533 -10.533
300 2HE2 GLN 37 HE21 GLN 37 -9.897 -8.862 -8.862
301 H LYS 38 HN LYS 38 -10.723 -4.867 -4.867
302 HA LYS 38 HA LYS 38 -12.714 -4.800 -4.800
303 1HB LYS 38 HB1 LYS 38 -10.168 -3.903 -3.903
304 2HB LYS 38 HB2 LYS 38 -11.018 -2.359 -2.359
305 1HG LYS 38 HG1 LYS 38 -12.312 -2.990 -2.990
306 2HG LYS 38 HG2 LYS 38 -11.470 -4.539 -4.539
307 1HD LYS 38 HD1 LYS 38 -9.351 -3.438 -3.438
308 2HD LYS 38 HD2 LYS 38 -10.070 -1.852 -1.852
309 1HE LYS 38 HE1 LYS 38 -11.696 -2.895 -2.895
310 2HE LYS 38 HE2 LYS 38 -10.113 -3.534 -3.534
311 1HZ LYS 38 HZ2 LYS 38 -9.509 -1.007 -1.007
312 2HZ LYS 38 HZ3 LYS 38 -11.075 -0.804 -0.804
313 3HZ LYS 38 HZ1 LYS 38 -9.870 -1.533 -1.533
314 1HN NH2 39 1HN NH2 39 -12.432 -1.266 -1.266
315 2HN NH2 39 2HN NH2 39 -13.131 -2.156 -2.156
Start of MODEL 4
1 1H2 SIN 0 1H2 SIN 0 17.205 1.315 1.315
2 2H2 SIN 0 HY2 ASP 1 15.846 0.801 0.801
3 1H3 SIN 0 2H1 SIN 0 14.601 1.807 1.807
4 2H3 SIN 0 2H3 SIN 0 15.969 2.902 2.902
5 H ASP 1 1H3 SIN 0 13.103 1.572 1.572
6 HA ASP 1 HA ASP 1 12.076 2.185 2.185
7 1HB ASP 1 HB1 ASP 1 14.635 3.060 3.060
8 2HB ASP 1 HB2 ASP 1 13.729 4.573 4.573
9 H TRP 2 HN TRP 2 13.349 5.095 5.095
10 HA TRP 2 HA TRP 2 11.196 6.786 6.786
11 1HB TRP 2 HB1 TRP 2 11.875 7.979 7.979
12 2HB TRP 2 HB2 TRP 2 13.333 7.350 7.350
13 HD1 TRP 2 HD1 TRP 2 14.269 5.001 5.001
14 HE1 TRP 2 HE1 TRP 2 14.270 4.112 4.112
15 HE3 TRP 2 HE3 TRP 2 10.656 7.975 7.975
16 HZ2 TRP 2 HZ2 TRP 2 12.887 4.611 4.611
17 HZ3 TRP 2 HZ3 TRP 2 10.009 7.756 7.756
18 HH2 TRP 2 HH2 TRP 2 11.122 6.077 6.077
19 H LEU 3 HN LEU 3 11.451 4.087 4.087
20 HA LEU 3 HA LEU 3 9.272 4.639 4.639
21 1HB LEU 3 HB1 LEU 3 10.605 2.122 2.122
22 2HB LEU 3 HB2 LEU 3 9.110 2.004 2.004
23 HG LEU 3 HG LEU 3 10.643 3.917 3.917
24 1HD1 LEU 3 HD12 LEU 3 12.500 2.837 2.837
25 2HD1 LEU 3 HD13 LEU 3 12.409 1.517 1.517
26 3HD1 LEU 3 HD11 LEU 3 12.833 3.142 3.142
27 1HD2 LEU 3 HD22 LEU 3 10.181 0.959 0.959
28 2HD2 LEU 3 HD23 LEU 3 9.215 2.301 2.301
29 3HD2 LEU 3 HD21 LEU 3 10.855 2.052 2.052
30 H LYS 4 HN LYS 4 9.290 2.965 2.965
31 HA LYS 4 HA LYS 4 6.586 2.206 2.206
32 1HB LYS 4 HB1 LYS 4 8.719 2.502 2.502
33 2HB LYS 4 HB2 LYS 4 7.289 3.274 3.274
34 1HG LYS 4 HG1 LYS 4 5.987 1.197 1.197
35 2HG LYS 4 HG2 LYS 4 7.494 0.436 0.436
36 1HD LYS 4 HD1 LYS 4 8.437 0.872 0.872
37 2HD LYS 4 HD2 LYS 4 6.874 1.522 1.522
38 1HE LYS 4 HE1 LYS 4 5.800 -0.616 -0.616
39 2HE LYS 4 HE2 LYS 4 7.269 -1.277 -1.277
40 1HZ LYS 4 HZ1 LYS 4 7.160 -0.252 -0.252
41 2HZ LYS 4 HZ2 LYS 4 6.855 -1.877 -1.877
42 3HZ LYS 4 HZ3 LYS 4 8.376 -1.192 -1.192
43 H ALA 5 HN ALA 5 8.031 5.380 5.380
44 HA ALA 5 HA ALA 5 5.524 6.613 6.613
45 1HB ALA 5 HB1 ALA 5 8.233 7.695 7.695
46 2HB ALA 5 HB2 ALA 5 6.870 8.753 8.753
47 3HB ALA 5 HB3 ALA 5 7.501 7.672 7.672
48 H ARG 6 HN ARG 6 7.382 6.301 6.301
49 HA ARG 6 HA ARG 6 5.419 7.932 7.932
50 1HB ARG 6 HB1 ARG 6 6.925 7.934 7.934
51 2HB ARG 6 HB2 ARG 6 7.981 7.934 7.934
52 1HG ARG 6 HG1 ARG 6 8.959 6.080 6.080
53 2HG ARG 6 HG2 ARG 6 7.451 5.217 5.217
54 1HD ARG 6 HD1 ARG 6 6.633 6.027 6.027
55 2HD ARG 6 HD2 ARG 6 8.243 6.683 6.683
56 HE ARG 6 HE ARG 6 8.161 3.824 3.824
57 1HH1 ARG 6 HH11 ARG 6 6.926 5.291 5.291
58 2HH1 ARG 6 HH12 ARG 6 8.091 4.701 4.701
59 1HH2 ARG 6 HH21 ARG 6 10.240 3.481 3.481
60 2HH2 ARG 6 HH22 ARG 6 9.966 3.676 3.676
61 H VAL 7 HN VAL 7 5.280 4.906 4.906
62 HA VAL 7 HA VAL 7 4.390 3.603 3.603
63 HB VAL 7 HB VAL 7 4.634 2.666 2.666
64 1HG1 VAL 7 HG11 VAL 7 3.216 1.467 1.467
65 2HG1 VAL 7 HG12 VAL 7 4.135 0.387 0.387
66 3HG1 VAL 7 HG13 VAL 7 2.829 1.364 1.364
67 1HG2 VAL 7 HG21 VAL 7 6.457 2.837 2.837
68 2HG2 VAL 7 HG22 VAL 7 6.636 1.846 1.846
69 3HG2 VAL 7 HG23 VAL 7 5.943 1.150 1.150
70 H GLU 8 HN GLU 8 2.992 4.524 4.524
71 HA GLU 8 HA GLU 8 0.305 3.783 3.783
72 1HB GLU 8 HB1 GLU 8 1.577 4.619 4.619
73 2HB GLU 8 HB2 GLU 8 0.534 5.987 5.987
74 1HG GLU 8 HG1 GLU 8 -1.280 4.126 4.126
75 2HG GLU 8 HG2 GLU 8 -0.216 3.140 3.140
76 H GLN 9 HN GLN 9 2.287 6.531 6.531
77 HA GLN 9 HA GLN 9 0.125 8.370 8.370
78 1HB GLN 9 HB1 GLN 9 2.639 8.877 8.877
79 2HB GLN 9 HB2 GLN 9 2.856 8.571 8.571
80 1HG GLN 9 HG1 GLN 9 0.668 10.215 10.215
81 2HG GLN 9 HG2 GLN 9 1.552 10.845 10.845
82 1HE2 GLN 9 HE22 GLN 9 4.072 12.329 12.329
83 2HE2 GLN 9 HE21 GLN 9 3.439 12.079 12.079
84 H GLU 10 HN GLU 10 2.256 6.376 6.376
85 HA GLU 10 HA GLU 10 0.976 7.138 7.138
86 1HB GLU 10 HB1 GLU 10 2.223 5.340 5.340
87 2HB GLU 10 HB2 GLU 10 3.259 6.075 6.075
88 1HG GLU 10 HG1 GLU 10 2.567 4.307 4.307
89 2HG GLU 10 HG2 GLU 10 1.602 3.555 3.555
90 H LEU 11 HN LEU 11 0.364 4.549 4.549
91 HA LEU 11 HA LEU 11 -1.608 3.256 3.256
92 1HB LEU 11 HB1 LEU 11 -1.052 2.921 2.921
93 2HB LEU 11 HB2 LEU 11 -2.066 1.860 1.860
94 HG LEU 11 HG LEU 11 0.769 2.412 2.412
95 1HD1 LEU 11 HD11 LEU 11 -0.187 0.544 0.544
96 2HD1 LEU 11 HD12 LEU 11 1.301 0.239 0.239
97 3HD1 LEU 11 HD13 LEU 11 1.136 1.708 1.708
98 1HD2 LEU 11 HD21 LEU 11 -1.277 0.220 0.220
99 2HD2 LEU 11 HD22 LEU 11 -0.500 1.216 1.216
100 3HD2 LEU 11 HD23 LEU 11 0.426 -0.025 -0.025
101 H GLN 12 HN GLN 12 -1.612 5.960 5.960
102 HA GLN 12 HA GLN 12 -4.237 5.854 5.854
103 1HB GLN 12 HB1 GLN 12 -4.008 8.165 8.165
104 2HB GLN 12 HB2 GLN 12 -2.350 7.567 7.567
105 1HG GLN 12 HG1 GLN 12 -1.915 9.185 9.185
106 2HG GLN 12 HG2 GLN 12 -2.793 8.178 8.178
107 1HE2 GLN 12 HE22 GLN 12 -5.589 10.342 10.342
108 2HE2 GLN 12 HE21 GLN 12 -4.897 8.882 8.882
109 H ALA 13 HN ALA 13 -3.189 6.224 6.224
110 HA ALA 13 HA ALA 13 -5.489 7.677 7.677
111 1HB ALA 13 HB1 ALA 13 -3.344 7.582 7.582
112 2HB ALA 13 HB2 ALA 13 -3.552 5.844 5.844
113 3HB ALA 13 HB3 ALA 13 -4.669 6.971 6.971
114 H LEU 14 HN LEU 14 -4.543 4.278 4.278
115 HA LEU 14 HA LEU 14 -7.066 3.427 3.427
116 1HB LEU 14 HB1 LEU 14 -4.688 2.061 2.061
117 2HB LEU 14 HB2 LEU 14 -6.186 1.138 1.138
118 HG LEU 14 HG LEU 14 -4.819 0.845 0.845
119 1HD1 LEU 14 HD12 LEU 14 -7.425 1.137 1.137
120 2HD1 LEU 14 HD13 LEU 14 -7.078 2.657 2.657
121 3HD1 LEU 14 HD11 LEU 14 -6.568 1.130 1.130
122 1HD2 LEU 14 HD22 LEU 14 -3.838 3.252 3.252
123 2HD2 LEU 14 HD23 LEU 14 -4.068 2.637 2.637
124 3HD2 LEU 14 HD21 LEU 14 -5.237 3.761 3.761
125 H GLU 15 HN GLU 15 -5.778 3.404 3.404
126 HA GLU 15 HA GLU 15 -8.144 2.207 2.207
127 1HB GLU 15 HB1 GLU 15 -5.769 2.407 2.407
128 2HB GLU 15 HB2 GLU 15 -6.268 4.029 4.029
129 1HG GLU 15 HG1 GLU 15 -8.425 2.637 2.637
130 2HG GLU 15 HG2 GLU 15 -7.197 1.381 1.381
131 H ALA 16 HN ALA 16 -7.211 5.489 5.489
132 HA ALA 16 HA ALA 16 -9.080 6.904 6.904
133 1HB ALA 16 HB1 ALA 16 -7.606 7.451 7.451
134 2HB ALA 16 HB2 ALA 16 -8.982 8.490 8.490
135 3HB ALA 16 HB3 ALA 16 -7.633 8.371 8.371
136 H ARG 17 HN ARG 17 -9.442 5.281 5.281
137 HA ARG 17 HA ARG 17 -12.362 5.275 5.275
138 1HB ARG 17 HB1 ARG 17 -12.591 6.098 6.098
139 2HB ARG 17 HB2 ARG 17 -12.295 7.305 7.305
140 1HG ARG 17 HG1 ARG 17 -10.402 7.924 7.924
141 2HG ARG 17 HG2 ARG 17 -9.766 6.288 6.288
142 1HD ARG 17 HD1 ARG 17 -9.828 6.257 6.257
143 2HD ARG 17 HD2 ARG 17 -11.551 5.955 5.955
144 HE ARG 17 HE ARG 17 -11.695 8.574 8.574
145 1HH1 ARG 17 HH11 ARG 17 -9.768 10.003 10.003
146 2HH1 ARG 17 HH12 ARG 17 -9.400 9.614 9.614
147 1HH2 ARG 17 HH21 ARG 17 -11.082 6.583 6.583
148 2HH2 ARG 17 HH22 ARG 17 -10.142 7.677 7.677
149 H GLY 18 HN GLY 18 -11.308 2.989 2.989
150 1HA GLY 18 HA1 GLY 18 -11.151 1.736 1.736
151 2HA GLY 18 HA2 GLY 18 -10.272 1.122 1.122
152 H THR 19 HN THR 19 -13.540 2.300 2.300
153 HA THR 19 HA THR 19 -15.564 1.152 1.152
154 HB THR 19 HB THR 19 -14.282 -1.443 -1.443
155 HG1 THR 19 HG1 THR 19 -13.594 -0.338 -0.338
156 1HG2 THR 19 HG22 THR 19 -16.914 -0.435 -0.435
157 2HG2 THR 19 HG23 THR 19 -16.770 -0.836 -0.836
158 3HG2 THR 19 HG21 THR 19 -16.440 -2.062 -2.062
159 H ASP 20 HN ASP 20 -15.018 1.558 1.558
160 HA ASP 20 HA ASP 20 -14.497 0.881 0.881
161 1HB ASP 20 HB1 ASP 20 -16.044 -1.355 -1.355
162 2HB ASP 20 HB2 ASP 20 -15.402 -1.575 -1.575
163 H SER 21 HN SER 21 -12.165 0.818 0.818
164 HA SER 21 HA SER 21 -10.994 -1.851 -1.851
165 1HB SER 21 HB1 SER 21 -9.286 0.592 0.592
166 2HB SER 21 HB2 SER 21 -9.166 -0.870 -0.870
167 HG SER 21 HG SER 21 -10.741 -0.175 -0.175
168 H ASN 22 HN ASN 22 -11.974 -0.150 -0.150
169 HA ASN 22 HA ASN 22 -9.502 -0.247 -0.247
170 1HB ASN 22 HB1 ASN 22 -12.324 0.396 0.396
171 2HB ASN 22 HB2 ASN 22 -10.832 0.739 0.739
172 1HD2 ASN 22 HD22 ASN 22 -10.654 3.898 3.898
173 2HD2 ASN 22 HD21 ASN 22 -10.507 2.970 2.970
174 H ALA 23 HN ALA 23 -10.995 -2.678 -2.678
175 HA ALA 23 HA ALA 23 -11.281 -4.112 -4.112
176 1HB ALA 23 HB1 ALA 23 -12.830 -4.270 -4.270
177 2HB ALA 23 HB2 ALA 23 -12.625 -5.746 -5.746
178 3HB ALA 23 HB3 ALA 23 -13.410 -4.341 -4.341
179 H GLU 24 HN GLU 24 -10.329 -4.484 -4.484
180 HA GLU 24 HA GLU 24 -8.958 -6.983 -6.983
181 1HB GLU 24 HB1 GLU 24 -8.811 -4.972 -4.972
182 2HB GLU 24 HB2 GLU 24 -7.996 -6.536 -6.536
183 1HG GLU 24 HG1 GLU 24 -10.958 -6.329 -6.329
184 2HG GLU 24 HG2 GLU 24 -10.335 -6.375 -6.375
185 H LEU 25 HN LEU 25 -8.204 -3.746 -3.746
186 HA LEU 25 HA LEU 25 -5.490 -3.427 -3.427
187 1HB LEU 25 HB1 LEU 25 -7.384 -2.488 -2.488
188 2HB LEU 25 HB2 LEU 25 -5.722 -2.561 -2.561
189 HG LEU 25 HG LEU 25 -6.099 -1.419 -1.419
190 1HD1 LEU 25 HD13 LEU 25 -7.605 -0.457 -0.457
191 2HD1 LEU 25 HD11 LEU 25 -6.456 0.763 0.763
192 3HD1 LEU 25 HD12 LEU 25 -7.645 0.103 0.103
193 1HD2 LEU 25 HD23 LEU 25 -4.272 -1.258 -1.258
194 2HD2 LEU 25 HD21 LEU 25 -3.932 -1.054 -1.054
195 3HD2 LEU 25 HD22 LEU 25 -4.577 0.294 0.294
196 H ARG 26 HN ARG 26 -7.024 -5.714 -5.714
197 HA ARG 26 HA ARG 26 -4.870 -6.341 -6.341
198 1HB ARG 26 HB1 ARG 26 -7.375 -7.561 -7.561
199 2HB ARG 26 HB2 ARG 26 -6.117 -8.788 -8.788
200 1HG ARG 26 HG1 ARG 26 -7.033 -8.585 -8.585
201 2HG ARG 26 HG2 ARG 26 -5.535 -7.654 -7.654
202 1HD ARG 26 HD1 ARG 26 -7.899 -6.124 -6.124
203 2HD ARG 26 HD2 ARG 26 -7.982 -6.696 -6.696
204 HE ARG 26 HE ARG 26 -5.429 -5.586 -5.586
205 1HH1 ARG 26 HH21 ARG 26 -8.147 -4.255 -4.255
206 2HH1 ARG 26 HH22 ARG 26 -8.097 -2.760 -2.760
207 1HH2 ARG 26 HH11 ARG 26 -5.587 -3.795 -3.795
208 2HH2 ARG 26 HH12 ARG 26 -6.650 -2.500 -2.500
209 H ALA 27 HN ALA 27 -5.765 -8.149 -8.149
210 HA ALA 27 HA ALA 27 -3.334 -9.613 -9.613
211 1HB ALA 27 HB3 ALA 27 -5.645 -9.768 -9.768
212 2HB ALA 27 HB1 ALA 27 -4.711 -8.861 -8.861
213 3HB ALA 27 HB2 ALA 27 -4.147 -10.441 -10.441
214 H MET 28 HN MET 28 -4.162 -6.371 -6.371
215 HA MET 28 HA MET 28 -2.036 -5.921 -5.921
216 1HB MET 28 HB1 MET 28 -4.071 -4.399 -4.399
217 2HB MET 28 HB2 MET 28 -2.888 -3.750 -3.750
218 1HG MET 28 HG1 MET 28 -2.462 -2.373 -2.373
219 2HG MET 28 HG2 MET 28 -1.371 -3.700 -3.700
220 1HE MET 28 HE2 MET 28 -2.937 -1.342 -1.342
221 2HE MET 28 HE3 MET 28 -4.010 -1.867 -1.867
222 3HE MET 28 HE1 MET 28 -4.621 -1.716 -1.716
223 H GLU 29 HN GLU 29 -2.123 -5.845 -5.845
224 HA GLU 29 HA GLU 29 0.414 -4.619 -4.619
225 1HB GLU 29 HB1 GLU 29 -1.538 -6.095 -6.095
226 2HB GLU 29 HB2 GLU 29 0.110 -6.527 -6.527
227 1HG GLU 29 HG1 GLU 29 -0.900 -3.678 -3.678
228 2HG GLU 29 HG2 GLU 29 -0.795 -4.558 -4.558
229 H ALA 30 HN ALA 30 -0.484 -8.030 -8.030
230 HA ALA 30 HA ALA 30 2.047 -9.196 -9.196
231 1HB ALA 30 HB3 ALA 30 -0.455 -10.024 -10.024
232 2HB ALA 30 HB1 ALA 30 0.705 -10.418 -10.418
233 3HB ALA 30 HB2 ALA 30 0.932 -11.051 -11.051
234 H LYS 31 HN LYS 31 0.651 -8.113 -8.113
235 HA LYS 31 HA LYS 31 3.037 -8.512 -8.512
236 1HB LYS 31 HB1 LYS 31 1.987 -7.037 -7.037
237 2HB LYS 31 HB2 LYS 31 0.819 -8.200 -8.200
238 1HG LYS 31 HG1 LYS 31 -0.208 -6.559 -6.559
239 2HG LYS 31 HG2 LYS 31 1.131 -5.431 -5.431
240 1HD LYS 31 HD1 LYS 31 0.075 -6.153 -6.153
241 2HD LYS 31 HD2 LYS 31 -1.249 -5.620 -5.620
242 1HE LYS 31 HE1 LYS 31 -0.560 -3.550 -3.550
243 2HE LYS 31 HE2 LYS 31 0.583 -3.733 -3.733
244 1HZ LYS 31 HZ3 LYS 31 1.816 -5.026 -5.026
245 2HZ LYS 31 HZ1 LYS 31 1.052 -3.755 -3.755
246 3HZ LYS 31 HZ2 LYS 31 2.121 -3.417 -3.417
247 H LEU 32 HN LEU 32 2.131 -6.070 -6.070
248 HA LEU 32 HA LEU 32 3.692 -3.889 -3.889
249 1HB LEU 32 HB1 LEU 32 2.003 -3.879 -3.879
250 2HB LEU 32 HB2 LEU 32 3.272 -4.587 -4.587
251 HG LEU 32 HG LEU 32 4.447 -2.402 -2.402
252 1HD1 LEU 32 HD11 LEU 32 1.844 -1.859 -1.859
253 2HD1 LEU 32 HD12 LEU 32 2.098 -1.350 -1.350
254 3HD1 LEU 32 HD13 LEU 32 3.018 -0.595 -0.595
255 1HD2 LEU 32 HD21 LEU 32 4.379 -3.490 -3.490
256 2HD2 LEU 32 HD22 LEU 32 5.223 -2.006 -2.006
257 3HD2 LEU 32 HD23 LEU 32 3.597 -1.927 -1.927
258 H LYS 33 HN LYS 33 4.540 -6.606 -6.606
259 HA LYS 33 HA LYS 33 7.167 -5.821 -5.821
260 1HB LYS 33 HB1 LYS 33 5.666 -8.002 -8.002
261 2HB LYS 33 HB2 LYS 33 6.765 -8.696 -8.696
262 1HG LYS 33 HG1 LYS 33 8.048 -8.982 -8.982
263 2HG LYS 33 HG2 LYS 33 8.571 -7.359 -7.359
264 1HD LYS 33 HD1 LYS 33 6.192 -7.050 -7.050
265 2HD LYS 33 HD2 LYS 33 7.196 -8.208 -8.208
266 1HE LYS 33 HE1 LYS 33 9.005 -6.681 -6.681
267 2HE LYS 33 HE2 LYS 33 8.333 -5.630 -5.630
268 1HZ LYS 33 HZ1 LYS 33 6.592 -6.051 -6.051
269 2HZ LYS 33 HZ2 LYS 33 8.041 -5.255 -5.255
270 3HZ LYS 33 HZ3 LYS 33 7.009 -4.612 -4.612
271 H ALA 34 HN ALA 34 6.002 -7.631 -7.631
272 HA ALA 34 HA ALA 34 8.551 -8.055 -8.055
273 1HB ALA 34 HB1 ALA 34 6.139 -8.931 -8.931
274 2HB ALA 34 HB2 ALA 34 6.132 -7.513 -7.513
275 3HB ALA 34 HB3 ALA 34 7.375 -8.748 -8.748
276 H GLU 35 HN GLU 35 6.355 -5.285 -5.285
277 HA GLU 35 HA GLU 35 7.668 -3.831 -3.831
278 1HB GLU 35 HB1 GLU 35 5.863 -3.099 -3.099
279 2HB GLU 35 HB2 GLU 35 6.670 -1.816 -1.816
280 1HG GLU 35 HG1 GLU 35 5.541 -3.811 -3.811
281 2HG GLU 35 HG2 GLU 35 4.305 -3.139 -3.139
282 H ILE 36 HN ILE 36 8.155 -3.899 -3.899
283 HA ILE 36 HA ILE 36 10.079 -1.851 -1.851
284 HB ILE 36 HB ILE 36 9.894 -4.465 -4.465
285 1HG1 ILE 36 HG11 ILE 36 8.947 -1.653 -1.653
286 2HG1 ILE 36 HG12 ILE 36 7.906 -2.988 -2.988
287 1HG2 ILE 36 HG21 ILE 36 12.146 -3.218 -3.218
288 2HG2 ILE 36 HG22 ILE 36 11.286 -1.931 -1.931
289 3HG2 ILE 36 HG23 ILE 36 11.391 -3.539 -3.539
290 1HD1 ILE 36 HD11 ILE 36 9.537 -3.922 -3.922
291 2HD1 ILE 36 HD12 ILE 36 8.867 -2.363 -2.363
292 3HD1 ILE 36 HD13 ILE 36 7.791 -3.672 -3.672
293 H GLN 37 HN GLN 37 10.701 -5.344 -5.344
294 HA GLN 37 HA GLN 37 13.482 -5.223 -5.223
295 1HB GLN 37 HB1 GLN 37 11.830 -7.268 -7.268
296 2HB GLN 37 HB2 GLN 37 11.847 -7.038 -7.038
297 1HG GLN 37 HG1 GLN 37 13.613 -8.563 -8.563
298 2HG GLN 37 HG2 GLN 37 14.427 -7.005 -7.005
299 1HE2 GLN 37 HE22 GLN 37 15.989 -7.906 -7.906
300 2HE2 GLN 37 HE21 GLN 37 16.207 -7.728 -7.728
301 H LYS 38 HN LYS 38 11.132 -5.362 -5.362
302 HA LYS 38 HA LYS 38 13.078 -4.508 -4.508
303 1HB LYS 38 HB1 LYS 38 10.061 -4.665 -4.665
304 2HB LYS 38 HB2 LYS 38 10.985 -4.081 -4.081
305 1HG LYS 38 HG1 LYS 38 12.156 -6.181 -6.181
306 2HG LYS 38 HG2 LYS 38 11.494 -6.751 -6.751
307 1HD LYS 38 HD1 LYS 38 9.214 -6.669 -6.669
308 2HD LYS 38 HD2 LYS 38 9.907 -6.150 -6.150
309 1HE LYS 38 HE1 LYS 38 10.002 -8.370 -8.370
310 2HE LYS 38 HE2 LYS 38 11.409 -8.383 -8.383
311 1HZ LYS 38 HZ1 LYS 38 9.591 -8.633 -8.633
312 2HZ LYS 38 HZ2 LYS 38 8.655 -9.236 -9.236
313 3HZ LYS 38 HZ3 LYS 38 10.122 -9.988 -9.988
314 1HN NH2 39 1HN NH2 39 13.647 -1.667 -1.667
315 2HN NH2 39 2HN NH2 39 12.578 -2.073 -2.073
Start of MODEL 5
1 1H2 SIN 0 1H2 SIN 0 13.923 -0.786 -0.786
2 2H2 SIN 0 2H2 SIN 0 14.875 -2.257 -2.257
3 1H3 SIN 0 1H3 SIN 0 12.491 -3.357 -3.357
4 2H3 SIN 0 2H3 SIN 0 12.035 -1.708 -1.708
5 H ASP 1 HN ASP 1 14.253 -0.784 -0.784
6 HA ASP 1 HA ASP 1 12.305 -1.993 -1.993
7 1HB ASP 1 HB1 ASP 1 14.675 -2.282 -2.282
8 2HB ASP 1 HB2 ASP 1 14.747 -0.523 -0.523
9 H TRP 2 HN TRP 2 14.199 0.974 0.974
10 HA TRP 2 HA TRP 2 12.514 2.834 2.834
11 1HB TRP 2 HB1 TRP 2 13.463 4.490 4.490
12 2HB TRP 2 HB2 TRP 2 14.724 3.279 3.279
13 HD1 TRP 2 HD1 TRP 2 14.956 1.398 1.398
14 HE1 TRP 2 HE1 TRP 2 14.597 1.579 1.579
15 HE3 TRP 2 HE3 TRP 2 12.156 5.642 5.642
16 HZ2 TRP 2 HZ2 TRP 2 13.264 3.319 3.319
17 HZ3 TRP 2 HZ3 TRP 2 11.350 6.547 6.547
18 HH2 TRP 2 HH2 TRP 2 11.901 5.389 5.389
19 H LEU 3 HN LEU 3 12.184 1.260 1.260
20 HA LEU 3 HA LEU 3 10.093 2.807 2.807
21 1HB LEU 3 HB1 LEU 3 11.142 0.076 0.076
22 2HB LEU 3 HB2 LEU 3 9.469 0.322 0.322
23 HG LEU 3 HG LEU 3 11.197 2.550 2.550
24 1HD1 LEU 3 HD13 LEU 3 12.262 -0.108 -0.108
25 2HD1 LEU 3 HD11 LEU 3 11.885 0.570 0.570
26 3HD1 LEU 3 HD12 LEU 3 12.970 1.431 1.431
27 1HD2 LEU 3 HD21 LEU 3 8.818 1.473 1.473
28 2HD2 LEU 3 HD22 LEU 3 9.774 2.579 2.579
29 3HD2 LEU 3 HD23 LEU 3 9.901 0.838 0.838
30 H LYS 4 HN LYS 4 9.918 0.023 0.023
31 HA LYS 4 HA LYS 4 7.147 -0.362 -0.362
32 1HB LYS 4 HB1 LYS 4 9.341 -1.076 -1.076
33 2HB LYS 4 HB2 LYS 4 8.133 -0.353 -0.353
34 1HG LYS 4 HG1 LYS 4 6.523 -1.962 -1.962
35 2HG LYS 4 HG2 LYS 4 7.274 -2.351 -2.351
36 1HD LYS 4 HD1 LYS 4 8.522 -3.975 -3.975
37 2HD LYS 4 HD2 LYS 4 9.102 -2.871 -2.871
38 1HE LYS 4 HE1 LYS 4 7.308 -3.370 -3.370
39 2HE LYS 4 HE2 LYS 4 6.318 -4.020 -4.020
40 1HZ LYS 4 HZ1 LYS 4 8.873 -5.329 -5.329
41 2HZ LYS 4 HZ2 LYS 4 7.630 -5.568 -5.568
42 3HZ LYS 4 HZ3 LYS 4 7.394 -5.998 -5.998
43 H ALA 5 HN ALA 5 9.060 2.223 2.223
44 HA ALA 5 HA ALA 5 6.880 3.385 3.385
45 1HB ALA 5 HB2 ALA 5 9.265 3.837 3.837
46 2HB ALA 5 HB3 ALA 5 9.424 4.677 4.677
47 3HB ALA 5 HB1 ALA 5 8.369 5.328 5.328
48 H ARG 6 HN ARG 6 8.452 4.371 4.371
49 HA ARG 6 HA ARG 6 6.387 6.320 6.320
50 1HB ARG 6 HB1 ARG 6 7.525 6.597 6.597
51 2HB ARG 6 HB2 ARG 6 8.695 6.593 6.593
52 1HG ARG 6 HG1 ARG 6 9.743 5.070 5.070
53 2HG ARG 6 HG2 ARG 6 8.655 3.953 3.953
54 1HD ARG 6 HD1 ARG 6 8.512 3.600 3.600
55 2HD ARG 6 HD2 ARG 6 6.995 4.281 4.281
56 HE ARG 6 HE ARG 6 8.428 6.510 6.510
57 1HH1 ARG 6 HH11 ARG 6 6.265 4.518 4.518
58 2HH1 ARG 6 HH12 ARG 6 6.825 4.709 4.709
59 1HH2 ARG 6 HH21 ARG 6 9.751 6.330 6.330
60 2HH2 ARG 6 HH22 ARG 6 8.798 5.737 5.737
61 H VAL 7 HN VAL 7 6.201 3.056 3.056
62 HA VAL 7 HA VAL 7 4.721 2.788 2.788
63 HB VAL 7 HB VAL 7 5.536 0.843 0.843
64 1HG1 VAL 7 HG13 VAL 7 3.560 0.530 0.530
65 2HG1 VAL 7 HG11 VAL 7 4.530 -0.848 -0.848
66 3HG1 VAL 7 HG12 VAL 7 3.447 -0.049 -0.049
67 1HG2 VAL 7 HG22 VAL 7 7.006 1.756 1.756
68 2HG2 VAL 7 HG23 VAL 7 7.063 0.053 0.053
69 3HG2 VAL 7 HG21 VAL 7 6.082 0.568 0.568
70 H GLU 8 HN GLU 8 4.127 2.868 2.868
71 HA GLU 8 HA GLU 8 1.361 2.108 2.108
72 1HB GLU 8 HB1 GLU 8 2.465 4.026 4.026
73 2HB GLU 8 HB2 GLU 8 1.247 2.769 2.769
74 1HG GLU 8 HG1 GLU 8 3.126 1.104 1.104
75 2HG GLU 8 HG2 GLU 8 4.235 2.450 2.450
76 H GLN 9 HN GLN 9 2.933 5.321 5.321
77 HA GLN 9 HA GLN 9 0.525 6.830 6.830
78 1HB GLN 9 HB1 GLN 9 3.228 7.419 7.419
79 2HB GLN 9 HB2 GLN 9 2.783 8.031 8.031
80 1HG GLN 9 HG1 GLN 9 0.759 9.107 9.107
81 2HG GLN 9 HG2 GLN 9 1.621 8.773 8.773
82 1HE2 GLN 9 HE22 GLN 9 3.274 11.866 11.866
83 2HE2 GLN 9 HE21 GLN 9 2.282 10.907 10.907
84 H GLU 10 HN GLU 10 2.585 5.419 5.419
85 HA GLU 10 HA GLU 10 1.356 6.646 6.646
86 1HB GLU 10 HB1 GLU 10 3.320 4.683 4.683
87 2HB GLU 10 HB2 GLU 10 2.072 3.883 3.883
88 1HG GLU 10 HG1 GLU 10 3.028 6.639 6.639
89 2HG GLU 10 HG2 GLU 10 3.953 5.217 5.217
90 H LEU 11 HN LEU 11 0.566 3.593 3.593
91 HA LEU 11 HA LEU 11 -1.560 2.778 2.778
92 1HB LEU 11 HB1 LEU 11 -1.209 2.404 2.404
93 2HB LEU 11 HB2 LEU 11 -2.395 1.542 1.542
94 HG LEU 11 HG LEU 11 0.446 1.504 1.504
95 1HD1 LEU 11 HD11 LEU 11 -0.495 0.471 0.471
96 2HD1 LEU 11 HD12 LEU 11 0.322 -0.729 -0.729
97 3HD1 LEU 11 HD13 LEU 11 1.149 0.765 0.765
98 1HD2 LEU 11 HD22 LEU 11 -1.912 -0.394 -0.394
99 2HD2 LEU 11 HD23 LEU 11 -1.151 0.366 0.366
100 3HD2 LEU 11 HD21 LEU 11 -0.300 -0.897 -0.897
101 H GLN 12 HN GLN 12 -1.557 5.001 5.001
102 HA GLN 12 HA GLN 12 -4.439 5.396 5.396
103 1HB GLN 12 HB1 GLN 12 -2.473 5.916 5.916
104 2HB GLN 12 HB2 GLN 12 -2.834 7.526 7.526
105 1HG GLN 12 HG1 GLN 12 -5.349 6.451 6.451
106 2HG GLN 12 HG2 GLN 12 -4.491 5.726 5.726
107 1HE2 GLN 12 HE22 GLN 12 -5.256 9.740 9.740
108 2HE2 GLN 12 HE21 GLN 12 -5.579 8.797 8.797
109 H ALA 13 HN ALA 13 -1.697 6.740 6.740
110 HA ALA 13 HA ALA 13 -2.798 9.289 9.289
111 1HB ALA 13 HB1 ALA 13 -0.583 7.548 7.548
112 2HB ALA 13 HB2 ALA 13 -1.178 8.749 8.749
113 3HB ALA 13 HB3 ALA 13 -0.564 9.259 9.259
114 H LEU 14 HN LEU 14 -3.232 6.052 6.052
115 HA LEU 14 HA LEU 14 -4.544 6.947 6.947
116 1HB LEU 14 HB1 LEU 14 -3.346 4.758 4.758
117 2HB LEU 14 HB2 LEU 14 -4.580 4.211 4.211
118 HG LEU 14 HG LEU 14 -5.984 5.258 5.258
119 1HD1 LEU 14 HD13 LEU 14 -3.378 4.350 4.350
120 2HD1 LEU 14 HD11 LEU 14 -4.583 3.218 3.218
121 3HD1 LEU 14 HD12 LEU 14 -4.694 4.931 4.931
122 1HD2 LEU 14 HD23 LEU 14 -6.572 3.318 3.318
123 2HD2 LEU 14 HD21 LEU 14 -6.738 2.948 2.948
124 3HD2 LEU 14 HD22 LEU 14 -5.335 2.365 2.365
125 H GLU 15 HN GLU 15 -5.527 5.958 5.958
126 HA GLU 15 HA GLU 15 -8.317 5.619 5.619
127 1HB GLU 15 HB1 GLU 15 -6.917 5.068 5.068
128 2HB GLU 15 HB2 GLU 15 -7.310 6.724 6.724
129 1HG GLU 15 HG1 GLU 15 -9.003 5.212 5.212
130 2HG GLU 15 HG2 GLU 15 -9.728 6.202 6.202
131 H ALA 16 HN ALA 16 -6.497 8.463 8.463
132 HA ALA 16 HA ALA 16 -8.782 10.205 10.205
133 1HB ALA 16 HB3 ALA 16 -5.809 10.585 10.585
134 2HB ALA 16 HB1 ALA 16 -6.838 11.986 11.986
135 3HB ALA 16 HB2 ALA 16 -7.020 11.059 11.059
136 H ARG 17 HN ARG 17 -7.112 8.815 8.815
137 HA ARG 17 HA ARG 17 -7.821 11.059 11.059
138 1HB ARG 17 HB1 ARG 17 -5.962 8.691 8.691
139 2HB ARG 17 HB2 ARG 17 -6.443 9.677 9.677
140 1HG ARG 17 HG1 ARG 17 -5.725 11.637 11.637
141 2HG ARG 17 HG2 ARG 17 -4.667 10.350 10.350
142 1HD ARG 17 HD1 ARG 17 -3.318 11.187 11.187
143 2HD ARG 17 HD2 ARG 17 -4.259 10.048 10.048
144 HE ARG 17 HE ARG 17 -5.098 12.908 12.908
145 1HH1 ARG 17 HH21 ARG 17 -3.301 10.776 10.776
146 2HH1 ARG 17 HH22 ARG 17 -4.117 11.128 11.128
147 1HH2 ARG 17 HH11 ARG 17 -6.562 13.080 13.080
148 2HH2 ARG 17 HH12 ARG 17 -5.963 12.432 12.432
149 H GLY 18 HN GLY 18 -9.833 9.252 9.252
150 1HA GLY 18 HA1 GLY 18 -11.582 8.809 8.809
151 2HA GLY 18 HA2 GLY 18 -10.532 7.398 7.398
152 H THR 19 HN THR 19 -13.435 7.783 7.783
153 HA THR 19 HA THR 19 -13.178 6.487 6.487
154 HB THR 19 HB THR 19 -15.372 7.330 7.330
155 HG1 THR 19 HG1 THR 19 -16.312 7.051 7.051
156 1HG2 THR 19 HG22 THR 19 -13.621 9.380 9.380
157 2HG2 THR 19 HG23 THR 19 -15.037 9.813 9.813
158 3HG2 THR 19 HG21 THR 19 -13.677 8.988 8.988
159 H ASP 20 HN ASP 20 -13.440 5.625 5.625
160 HA ASP 20 HA ASP 20 -15.406 3.446 3.446
161 1HB ASP 20 HB1 ASP 20 -15.467 5.336 5.336
162 2HB ASP 20 HB2 ASP 20 -14.892 3.847 3.847
163 H SER 21 HN SER 21 -12.982 2.858 2.858
164 HA SER 21 HA SER 21 -12.137 0.625 0.625
165 1HB SER 21 HB1 SER 21 -11.183 2.275 2.275
166 2HB SER 21 HB2 SER 21 -10.383 3.090 3.090
167 HG SER 21 HG SER 21 -9.911 0.431 0.431
168 H ASN 22 HN ASN 22 -12.712 1.470 1.470
169 HA ASN 22 HA ASN 22 -10.089 1.181 1.181
170 1HB ASN 22 HB1 ASN 22 -11.241 1.690 1.690
171 2HB ASN 22 HB2 ASN 22 -11.893 2.780 2.780
172 1HD2 ASN 22 HD22 ASN 22 -15.162 1.618 1.618
173 2HD2 ASN 22 HD21 ASN 22 -14.136 2.890 2.890
174 H ALA 23 HN ALA 23 -11.789 -0.924 -0.924
175 HA ALA 23 HA ALA 23 -11.758 -2.998 -2.998
176 1HB ALA 23 HB1 ALA 23 -13.831 -2.352 -2.352
177 2HB ALA 23 HB2 ALA 23 -13.058 -3.642 -3.642
178 3HB ALA 23 HB3 ALA 23 -13.613 -3.945 -3.945
179 H GLU 24 HN GLU 24 -10.497 -2.076 -2.076
180 HA GLU 24 HA GLU 24 -9.267 -4.692 -4.692
181 1HB GLU 24 HB1 GLU 24 -9.273 -2.075 -2.075
182 2HB GLU 24 HB2 GLU 24 -8.207 -3.401 -3.401
183 1HG GLU 24 HG1 GLU 24 -11.161 -3.856 -3.856
184 2HG GLU 24 HG2 GLU 24 -10.540 -3.249 -3.249
185 H LEU 25 HN LEU 25 -8.585 -2.528 -2.528
186 HA LEU 25 HA LEU 25 -5.868 -1.750 -1.750
187 1HB LEU 25 HB1 LEU 25 -7.537 -2.114 -2.114
188 2HB LEU 25 HB2 LEU 25 -5.830 -1.679 -1.679
189 HG LEU 25 HG LEU 25 -6.183 0.345 0.345
190 1HD1 LEU 25 HD11 LEU 25 -8.986 -0.703 -0.703
191 2HD1 LEU 25 HD12 LEU 25 -8.411 0.899 0.899
192 3HD1 LEU 25 HD13 LEU 25 -7.707 -0.538 -0.538
193 1HD2 LEU 25 HD21 LEU 25 -7.786 -0.286 -0.286
194 2HD2 LEU 25 HD22 LEU 25 -6.933 1.207 1.207
195 3HD2 LEU 25 HD23 LEU 25 -8.574 0.946 0.946
196 H ARG 26 HN ARG 26 -7.290 -4.788 -4.788
197 HA ARG 26 HA ARG 26 -4.918 -5.924 -5.924
198 1HB ARG 26 HB1 ARG 26 -7.543 -6.999 -6.999
199 2HB ARG 26 HB2 ARG 26 -6.227 -8.118 -8.118
200 1HG ARG 26 HG1 ARG 26 -7.285 -7.989 -7.989
201 2HG ARG 26 HG2 ARG 26 -6.061 -6.730 -6.730
202 1HD ARG 26 HD1 ARG 26 -8.269 -5.499 -5.499
203 2HD ARG 26 HD2 ARG 26 -8.943 -6.483 -6.483
204 HE ARG 26 HE ARG 26 -6.670 -5.004 -5.004
205 1HH1 ARG 26 HH11 ARG 26 -9.954 -5.360 -5.360
206 2HH1 ARG 26 HH12 ARG 26 -10.288 -3.720 -3.720
207 1HH2 ARG 26 HH21 ARG 26 -7.087 -2.596 -2.596
208 2HH2 ARG 26 HH22 ARG 26 -8.663 -2.156 -2.156
209 H ALA 27 HN ALA 27 -6.130 -5.562 -5.562
210 HA ALA 27 HA ALA 27 -4.575 -7.595 -7.595
211 1HB ALA 27 HB1 ALA 27 -6.212 -5.345 -5.345
212 2HB ALA 27 HB2 ALA 27 -4.762 -5.462 -5.462
213 3HB ALA 27 HB3 ALA 27 -5.858 -6.838 -6.838
214 H MET 28 HN MET 28 -3.908 -4.091 -4.091
215 HA MET 28 HA MET 28 -1.233 -4.297 -4.297
216 1HB MET 28 HB1 MET 28 -0.934 -2.033 -2.033
217 2HB MET 28 HB2 MET 28 -2.414 -2.154 -2.154
218 1HG MET 28 HG1 MET 28 -3.425 -2.880 -2.880
219 2HG MET 28 HG2 MET 28 -2.067 -1.924 -1.924
220 1HE MET 28 HE1 MET 28 -3.111 -0.567 -0.567
221 2HE MET 28 HE2 MET 28 -2.829 1.012 1.012
222 3HE MET 28 HE3 MET 28 -4.473 0.503 0.503
223 H GLU 29 HN GLU 29 -2.623 -5.115 -5.115
224 HA GLU 29 HA GLU 29 -0.370 -4.684 -4.684
225 1HB GLU 29 HB1 GLU 29 -2.917 -5.463 -5.463
226 2HB GLU 29 HB2 GLU 29 -2.118 -7.035 -7.035
227 1HG GLU 29 HG1 GLU 29 -0.534 -5.122 -5.122
228 2HG GLU 29 HG2 GLU 29 -2.202 -5.013 -5.013
229 H ALA 30 HN ALA 30 -1.353 -7.485 -7.485
230 HA ALA 30 HA ALA 30 0.673 -9.266 -9.266
231 1HB ALA 30 HB1 ALA 30 -1.377 -9.281 -9.281
232 2HB ALA 30 HB2 ALA 30 0.107 -9.576 -9.576
233 3HB ALA 30 HB3 ALA 30 -0.332 -10.631 -10.631
234 H LYS 31 HN LYS 31 0.666 -7.507 -7.507
235 HA LYS 31 HA LYS 31 3.377 -7.926 -7.926
236 1HB LYS 31 HB1 LYS 31 1.567 -5.588 -5.588
237 2HB LYS 31 HB2 LYS 31 3.166 -5.810 -5.810
238 1HG LYS 31 HG1 LYS 31 2.501 -7.636 -7.636
239 2HG LYS 31 HG2 LYS 31 1.270 -8.120 -8.120
240 1HD LYS 31 HD1 LYS 31 0.509 -5.561 -5.561
241 2HD LYS 31 HD2 LYS 31 0.982 -6.486 -6.486
242 1HE LYS 31 HE1 LYS 31 -0.569 -8.136 -8.136
243 2HE LYS 31 HE2 LYS 31 -1.454 -6.664 -6.664
244 1HZ LYS 31 HZ3 LYS 31 -1.045 -7.110 -7.110
245 2HZ LYS 31 HZ1 LYS 31 -0.233 -8.544 -8.544
246 3HZ LYS 31 HZ2 LYS 31 -1.891 -8.389 -8.389
247 H LEU 32 HN LEU 32 1.942 -5.717 -5.717
248 HA LEU 32 HA LEU 32 3.966 -3.787 -3.787
249 1HB LEU 32 HB1 LEU 32 1.767 -3.831 -3.831
250 2HB LEU 32 HB2 LEU 32 2.456 -5.057 -5.057
251 HG LEU 32 HG LEU 32 4.376 -3.388 -3.388
252 1HD1 LEU 32 HD11 LEU 32 2.871 -1.957 -1.957
253 2HD1 LEU 32 HD12 LEU 32 2.732 -1.070 -1.070
254 3HD1 LEU 32 HD13 LEU 32 4.324 -1.424 -1.424
255 1HD2 LEU 32 HD21 LEU 32 2.613 -3.880 -3.880
256 2HD2 LEU 32 HD22 LEU 32 3.080 -2.180 -2.180
257 3HD2 LEU 32 HD23 LEU 32 1.578 -2.659 -2.659
258 H LYS 33 HN LYS 33 3.671 -6.565 -6.565
259 HA LYS 33 HA LYS 33 6.347 -6.378 -6.378
260 1HB LYS 33 HB1 LYS 33 5.969 -8.778 -8.778
261 2HB LYS 33 HB2 LYS 33 4.758 -7.622 -7.622
262 1HG LYS 33 HG1 LYS 33 3.111 -8.572 -8.572
263 2HG LYS 33 HG2 LYS 33 4.180 -8.834 -8.834
264 1HD LYS 33 HD1 LYS 33 5.191 -10.770 -10.770
265 2HD LYS 33 HD2 LYS 33 4.106 -10.509 -10.509
266 1HE LYS 33 HE1 LYS 33 2.521 -10.572 -10.572
267 2HE LYS 33 HE2 LYS 33 3.601 -11.966 -11.966
268 1HZ LYS 33 HZ1 LYS 33 2.539 -11.569 -11.569
269 2HZ LYS 33 HZ2 LYS 33 1.286 -11.705 -11.705
270 3HZ LYS 33 HZ3 LYS 33 2.446 -12.938 -12.938
271 H ALA 34 HN ALA 34 5.166 -7.470 -7.470
272 HA ALA 34 HA ALA 34 7.281 -9.415 -9.415
273 1HB ALA 34 HB1 ALA 34 4.836 -8.687 -8.687
274 2HB ALA 34 HB2 ALA 34 6.100 -8.371 -8.371
275 3HB ALA 34 HB3 ALA 34 5.933 -9.979 -9.979
276 H GLU 35 HN GLU 35 6.797 -5.972 -5.972
277 HA GLU 35 HA GLU 35 9.187 -5.802 -5.802
278 1HB GLU 35 HB1 GLU 35 7.068 -4.378 -4.378
279 2HB GLU 35 HB2 GLU 35 7.623 -3.480 -3.480
280 1HG GLU 35 HG1 GLU 35 9.747 -2.983 -2.983
281 2HG GLU 35 HG2 GLU 35 9.213 -3.905 -3.905
282 H ILE 36 HN ILE 36 8.254 -5.214 -5.214
283 HA ILE 36 HA ILE 36 10.230 -3.511 -3.511
284 HB ILE 36 HB ILE 36 10.153 -4.793 -4.793
285 1HG1 ILE 36 HG11 ILE 36 8.176 -6.700 -6.700
286 2HG1 ILE 36 HG12 ILE 36 9.289 -6.882 -6.882
287 1HG2 ILE 36 HG23 ILE 36 8.347 -3.190 -3.190
288 2HG2 ILE 36 HG21 ILE 36 7.447 -4.532 -4.532
289 3HG2 ILE 36 HG22 ILE 36 7.760 -4.497 -4.497
290 1HD1 ILE 36 HD11 ILE 36 10.488 -6.583 -6.583
291 2HD1 ILE 36 HD12 ILE 36 9.688 -8.114 -8.114
292 3HD1 ILE 36 HD13 ILE 36 11.028 -7.561 -7.561
293 H GLN 37 HN GLN 37 10.609 -6.850 -6.850
294 HA GLN 37 HA GLN 37 13.221 -7.305 -7.305
295 1HB GLN 37 HB1 GLN 37 11.666 -8.435 -8.435
296 2HB GLN 37 HB2 GLN 37 13.353 -8.890 -8.890
297 1HG GLN 37 HG1 GLN 37 11.396 -9.020 -9.020
298 2HG GLN 37 HG2 GLN 37 11.485 -10.337 -10.337
299 1HE2 GLN 37 HE22 GLN 37 14.733 -11.405 -11.405
300 2HE2 GLN 37 HE21 GLN 37 13.644 -11.429 -11.429
301 H LYS 38 HN LYS 38 12.321 -6.415 -6.415
302 HA LYS 38 HA LYS 38 14.958 -5.823 -5.823
303 1HB LYS 38 HB1 LYS 38 12.215 -5.142 -5.142
304 2HB LYS 38 HB2 LYS 38 13.542 -4.165 -4.165
305 1HG LYS 38 HG1 LYS 38 14.697 -6.179 -6.179
306 2HG LYS 38 HG2 LYS 38 13.446 -7.197 -7.197
307 1HD LYS 38 HD1 LYS 38 12.974 -6.990 -6.990
308 2HD LYS 38 HD2 LYS 38 11.774 -6.036 -6.036
309 1HE LYS 38 HE1 LYS 38 14.275 -4.620 -4.620
310 2HE LYS 38 HE2 LYS 38 13.202 -5.062 -5.062
311 1HZ LYS 38 HZ2 LYS 38 11.460 -4.100 -4.100
312 2HZ LYS 38 HZ3 LYS 38 12.814 -3.139 -3.139
313 3HZ LYS 38 HZ1 LYS 38 12.181 -3.159 -3.159
314 1HN NH2 39 1HN NH2 39 12.881 -2.722 -2.722
315 2HN NH2 39 2HN NH2 39 13.536 -3.727 -3.727
Start of MODEL 6
1 1H2 SIN 0 1H2 SIN 0 11.090 4.134 4.134
2 2H2 SIN 0 2H2 SIN 0 12.536 4.279 4.279
3 1H3 SIN 0 1H3 SIN 0 10.465 3.263 3.263
4 2H3 SIN 0 2H3 SIN 0 9.789 4.626 4.626
5 H ASP 1 HN ASP 1 13.431 4.940 4.940
6 HA ASP 1 HA ASP 1 11.844 3.019 3.019
7 1HB ASP 1 HB1 ASP 1 14.586 3.374 3.374
8 2HB ASP 1 HB2 ASP 1 14.497 3.169 3.169
9 H TRP 2 HN TRP 2 13.366 6.072 6.072
10 HA TRP 2 HA TRP 2 13.427 5.931 5.931
11 1HB TRP 2 HB1 TRP 2 13.337 8.317 8.317
12 2HB TRP 2 HB2 TRP 2 14.087 7.901 7.901
13 HD1 TRP 2 HD1 TRP 2 12.374 7.755 7.755
14 HE1 TRP 2 HE1 TRP 2 10.279 9.178 9.178
15 HE3 TRP 2 HE3 TRP 2 11.437 9.672 9.672
16 HZ2 TRP 2 HZ2 TRP 2 8.448 10.893 10.893
17 HZ3 TRP 2 HZ3 TRP 2 9.531 11.205 11.205
18 HH2 TRP 2 HH2 TRP 2 8.031 11.816 11.816
19 H LEU 3 HN LEU 3 10.643 6.571 6.571
20 HA LEU 3 HA LEU 3 8.808 7.220 7.220
21 1HB LEU 3 HB1 LEU 3 8.665 6.503 6.503
22 2HB LEU 3 HB2 LEU 3 7.285 5.892 5.892
23 HG LEU 3 HG LEU 3 8.074 8.638 8.638
24 1HD1 LEU 3 HD11 LEU 3 8.553 8.687 8.687
25 2HD1 LEU 3 HD12 LEU 3 6.944 8.045 8.045
26 3HD1 LEU 3 HD13 LEU 3 7.126 9.648 9.648
27 1HD2 LEU 3 HD23 LEU 3 5.930 7.112 7.112
28 2HD2 LEU 3 HD21 LEU 3 5.806 8.867 8.867
29 3HD2 LEU 3 HD22 LEU 3 5.383 7.855 7.855
30 H LYS 4 HN LYS 4 9.837 4.095 4.095
31 HA LYS 4 HA LYS 4 7.986 2.359 2.359
32 1HB LYS 4 HB1 LYS 4 10.600 2.129 2.129
33 2HB LYS 4 HB2 LYS 4 10.652 1.373 1.373
34 1HG LYS 4 HG1 LYS 4 9.582 -0.425 -0.425
35 2HG LYS 4 HG2 LYS 4 8.211 0.595 0.595
36 1HD LYS 4 HD1 LYS 4 8.886 0.791 0.791
37 2HD LYS 4 HD2 LYS 4 10.599 0.709 0.709
38 1HE LYS 4 HE1 LYS 4 8.774 -1.683 -1.683
39 2HE LYS 4 HE2 LYS 4 9.597 -1.320 -1.320
40 1HZ LYS 4 HZ2 LYS 4 11.409 -1.125 -1.125
41 2HZ LYS 4 HZ3 LYS 4 10.633 -2.636 -2.636
42 3HZ LYS 4 HZ1 LYS 4 11.466 -2.155 -2.155
43 H ALA 5 HN ALA 5 10.545 4.216 4.216
44 HA ALA 5 HA ALA 5 10.321 2.956 2.956
45 1HB ALA 5 HB3 ALA 5 12.044 4.773 4.773
46 2HB ALA 5 HB1 ALA 5 11.114 5.796 5.796
47 3HB ALA 5 HB2 ALA 5 11.983 4.396 4.396
48 H ARG 6 HN ARG 6 8.873 5.906 5.906
49 HA ARG 6 HA ARG 6 7.246 6.275 6.275
50 1HB ARG 6 HB1 ARG 6 6.305 8.226 8.226
51 2HB ARG 6 HB2 ARG 6 7.926 8.364 8.364
52 1HG ARG 6 HG1 ARG 6 7.707 7.043 7.043
53 2HG ARG 6 HG2 ARG 6 7.408 8.782 8.782
54 1HD ARG 6 HD1 ARG 6 9.845 7.440 7.440
55 2HD ARG 6 HD2 ARG 6 9.812 8.193 8.193
56 HE ARG 6 HE ARG 6 8.906 10.205 10.205
57 1HH1 ARG 6 HH11 ARG 6 11.016 7.985 7.985
58 2HH1 ARG 6 HH12 ARG 6 12.304 9.103 9.103
59 1HH2 ARG 6 HH21 ARG 6 10.813 11.698 11.698
60 2HH2 ARG 6 HH22 ARG 6 12.188 11.206 11.206
61 H VAL 7 HN VAL 7 6.974 4.172 4.172
62 HA VAL 7 HA VAL 7 4.186 4.681 4.681
63 HB VAL 7 HB VAL 7 6.069 2.404 2.404
64 1HG1 VAL 7 HG11 VAL 7 3.173 2.902 2.902
65 2HG1 VAL 7 HG12 VAL 7 4.175 2.130 2.130
66 3HG1 VAL 7 HG13 VAL 7 3.994 1.382 1.382
67 1HG2 VAL 7 HG21 VAL 7 5.774 5.051 5.051
68 2HG2 VAL 7 HG22 VAL 7 6.789 3.758 3.758
69 3HG2 VAL 7 HG23 VAL 7 5.136 3.949 3.949
70 H GLU 8 HN GLU 8 6.024 2.582 2.582
71 HA GLU 8 HA GLU 8 3.865 0.794 0.794
72 1HB GLU 8 HB1 GLU 8 6.577 1.106 1.106
73 2HB GLU 8 HB2 GLU 8 5.641 1.195 1.195
74 1HG GLU 8 HG1 GLU 8 5.562 -1.065 -1.065
75 2HG GLU 8 HG2 GLU 8 4.440 -0.882 -0.882
76 H GLN 9 HN GLN 9 5.224 3.500 3.500
77 HA GLN 9 HA GLN 9 3.245 3.606 3.606
78 1HB GLN 9 HB1 GLN 9 4.977 5.697 5.697
79 2HB GLN 9 HB2 GLN 9 3.730 6.193 6.193
80 1HG GLN 9 HG1 GLN 9 5.322 5.772 5.772
81 2HG GLN 9 HG2 GLN 9 4.882 4.083 4.083
82 1HE2 GLN 9 HE22 GLN 9 8.499 5.446 5.446
83 2HE2 GLN 9 HE21 GLN 9 7.374 6.492 6.492
84 H GLU 10 HN GLU 10 3.070 4.600 4.600
85 HA GLU 10 HA GLU 10 0.771 6.279 6.279
86 1HB GLU 10 HB1 GLU 10 2.450 5.619 5.619
87 2HB GLU 10 HB2 GLU 10 1.094 4.565 4.565
88 1HG GLU 10 HG1 GLU 10 -0.349 6.718 6.718
89 2HG GLU 10 HG2 GLU 10 1.179 7.569 7.569
90 H LEU 11 HN LEU 11 0.857 2.916 2.916
91 HA LEU 11 HA LEU 11 -1.979 2.621 2.621
92 1HB LEU 11 HB1 LEU 11 -1.615 0.296 0.296
93 2HB LEU 11 HB2 LEU 11 -0.982 1.519 1.519
94 HG LEU 11 HG LEU 11 0.933 0.945 0.945
95 1HD1 LEU 11 HD12 LEU 11 -0.518 -1.279 -1.279
96 2HD1 LEU 11 HD13 LEU 11 0.488 -1.493 -1.493
97 3HD1 LEU 11 HD11 LEU 11 1.237 -1.356 -1.356
98 1HD2 LEU 11 HD23 LEU 11 1.269 1.895 1.895
99 2HD2 LEU 11 HD21 LEU 11 2.394 0.605 0.605
100 3HD2 LEU 11 HD22 LEU 11 1.023 0.266 0.266
101 H GLN 12 HN GLN 12 0.425 2.716 2.716
102 HA GLN 12 HA GLN 12 0.080 0.295 0.295
103 1HB GLN 12 HB1 GLN 12 1.611 2.700 2.700
104 2HB GLN 12 HB2 GLN 12 0.766 2.462 2.462
105 1HG GLN 12 HG1 GLN 12 1.675 -0.090 -0.090
106 2HG GLN 12 HG2 GLN 12 3.016 0.989 0.989
107 1HE2 GLN 12 HE22 GLN 12 3.936 1.089 1.089
108 2HE2 GLN 12 HE21 GLN 12 4.416 0.992 0.992
109 H ALA 13 HN ALA 13 -1.369 3.548 3.548
110 HA ALA 13 HA ALA 13 -2.982 2.930 2.930
111 1HB ALA 13 HB1 ALA 13 -3.329 4.973 4.973
112 2HB ALA 13 HB2 ALA 13 -4.320 4.922 4.922
113 3HB ALA 13 HB3 ALA 13 -2.588 5.236 5.236
114 H LEU 14 HN LEU 14 -3.235 2.014 2.014
115 HA LEU 14 HA LEU 14 -6.131 1.629 1.629
116 1HB LEU 14 HB1 LEU 14 -4.184 1.781 1.781
117 2HB LEU 14 HB2 LEU 14 -4.639 0.077 0.077
118 HG LEU 14 HG LEU 14 -7.089 1.263 1.263
119 1HD1 LEU 14 HD11 LEU 14 -6.110 3.519 3.519
120 2HD1 LEU 14 HD12 LEU 14 -5.369 3.051 3.051
121 3HD1 LEU 14 HD13 LEU 14 -7.125 3.137 3.137
122 1HD2 LEU 14 HD23 LEU 14 -6.306 -0.504 -0.504
123 2HD2 LEU 14 HD21 LEU 14 -7.349 0.704 0.704
124 3HD2 LEU 14 HD22 LEU 14 -5.604 0.771 0.771
125 H GLU 15 HN GLU 15 -3.386 -0.670 -0.670
126 HA GLU 15 HA GLU 15 -5.089 -2.913 -2.913
127 1HB GLU 15 HB1 GLU 15 -2.953 -4.188 -4.188
128 2HB GLU 15 HB2 GLU 15 -3.143 -3.251 -3.251
129 1HG GLU 15 HG1 GLU 15 -1.663 -1.527 -1.527
130 2HG GLU 15 HG2 GLU 15 -1.615 -2.266 -2.266
131 H ALA 16 HN ALA 16 -3.744 -0.437 -0.437
132 HA ALA 16 HA ALA 16 -3.115 -2.069 -2.069
133 1HB ALA 16 HB2 ALA 16 -3.114 0.901 0.901
134 2HB ALA 16 HB3 ALA 16 -2.834 0.248 0.248
135 3HB ALA 16 HB1 ALA 16 -1.729 -0.149 -0.149
136 H ARG 17 HN ARG 17 -5.893 -0.711 -0.711
137 HA ARG 17 HA ARG 17 -7.270 -0.337 -0.337
138 1HB ARG 17 HB1 ARG 17 -7.595 0.710 0.710
139 2HB ARG 17 HB2 ARG 17 -9.075 -0.146 -0.146
140 1HG ARG 17 HG1 ARG 17 -9.014 1.111 1.111
141 2HG ARG 17 HG2 ARG 17 -7.718 2.094 2.094
142 1HD ARG 17 HD1 ARG 17 -10.521 1.786 1.786
143 2HD ARG 17 HD2 ARG 17 -9.871 3.218 3.218
144 HE ARG 17 HE ARG 17 -8.140 2.646 2.646
145 1HH1 ARG 17 HH11 ARG 17 -10.388 1.886 1.886
146 2HH1 ARG 17 HH12 ARG 17 -11.049 3.391 3.391
147 1HH2 ARG 17 HH21 ARG 17 -9.443 5.282 5.282
148 2HH2 ARG 17 HH22 ARG 17 -10.514 5.313 5.313
149 H GLY 18 HN GLY 18 -6.341 -3.009 -3.009
150 1HA GLY 18 HA1 GLY 18 -7.200 -5.186 -5.186
151 2HA GLY 18 HA2 GLY 18 -8.278 -4.703 -4.703
152 H THR 19 HN THR 19 -7.990 -5.195 -5.195
153 HA THR 19 HA THR 19 -10.941 -5.127 -5.127
154 HB THR 19 HB THR 19 -9.868 -3.873 -3.873
155 HG1 THR 19 HG1 THR 19 -8.880 -2.141 -2.141
156 1HG2 THR 19 HG22 THR 19 -12.014 -3.582 -3.582
157 2HG2 THR 19 HG23 THR 19 -11.363 -2.013 -2.013
158 3HG2 THR 19 HG21 THR 19 -11.977 -3.122 -3.122
159 H ASP 20 HN ASP 20 -9.936 -7.478 -7.478
160 HA ASP 20 HA ASP 20 -9.285 -9.383 -9.383
161 1HB ASP 20 HB1 ASP 20 -11.676 -8.577 -8.577
162 2HB ASP 20 HB2 ASP 20 -10.799 -8.256 -8.256
163 H SER 21 HN SER 21 -7.287 -7.484 -7.484
164 HA SER 21 HA SER 21 -6.512 -7.068 -7.068
165 1HB SER 21 HB1 SER 21 -4.638 -5.845 -5.845
166 2HB SER 21 HB2 SER 21 -6.038 -5.404 -5.404
167 HG SER 21 HG SER 21 -5.321 -6.575 -6.575
168 H ASN 22 HN ASN 22 -6.505 -9.717 -9.717
169 HA ASN 22 HA ASN 22 -3.778 -10.638 -10.638
170 1HB ASN 22 HB1 ASN 22 -5.143 -11.123 -11.123
171 2HB ASN 22 HB2 ASN 22 -5.889 -12.390 -12.390
172 1HD2 ASN 22 HD22 ASN 22 -1.806 -12.673 -12.673
173 2HD2 ASN 22 HD21 ASN 22 -2.500 -11.148 -11.148
174 H ALA 23 HN ALA 23 -6.035 -10.136 -10.136
175 HA ALA 23 HA ALA 23 -5.838 -12.785 -12.785
176 1HB ALA 23 HB3 ALA 23 -8.240 -10.941 -10.941
177 2HB ALA 23 HB1 ALA 23 -8.125 -12.443 -12.443
178 3HB ALA 23 HB2 ALA 23 -8.111 -12.482 -12.482
179 H GLU 24 HN GLU 24 -6.405 -9.292 -9.292
180 HA GLU 24 HA GLU 24 -5.785 -9.470 -9.470
181 1HB GLU 24 HB1 GLU 24 -6.086 -6.943 -6.943
182 2HB GLU 24 HB2 GLU 24 -6.341 -7.156 -7.156
183 1HG GLU 24 HG1 GLU 24 -8.451 -7.947 -7.947
184 2HG GLU 24 HG2 GLU 24 -7.986 -8.929 -8.929
185 H LEU 25 HN LEU 25 -3.763 -10.000 -10.000
186 HA LEU 25 HA LEU 25 -1.795 -7.913 -7.913
187 1HB LEU 25 HB1 LEU 25 -1.775 -10.806 -10.806
188 2HB LEU 25 HB2 LEU 25 -0.248 -9.935 -9.935
189 HG LEU 25 HG LEU 25 -2.400 -8.528 -8.528
190 1HD1 LEU 25 HD11 LEU 25 -2.645 -10.880 -10.880
191 2HD1 LEU 25 HD12 LEU 25 -0.930 -10.899 -10.899
192 3HD1 LEU 25 HD13 LEU 25 -2.031 -9.818 -9.818
193 1HD2 LEU 25 HD22 LEU 25 0.521 -8.653 -8.653
194 2HD2 LEU 25 HD23 LEU 25 -0.511 -7.329 -7.329
195 3HD2 LEU 25 HD21 LEU 25 -0.051 -8.608 -8.608
196 H ARG 26 HN ARG 26 -2.471 -10.708 -10.708
197 HA ARG 26 HA ARG 26 0.023 -10.481 -10.481
198 1HB ARG 26 HB1 ARG 26 -2.497 -11.937 -11.937
199 2HB ARG 26 HB2 ARG 26 -0.845 -12.258 -12.258
200 1HG ARG 26 HG1 ARG 26 -1.608 -12.428 -12.428
201 2HG ARG 26 HG2 ARG 26 -1.853 -13.797 -13.797
202 1HD ARG 26 HD1 ARG 26 0.295 -14.269 -14.269
203 2HD ARG 26 HD2 ARG 26 0.677 -13.219 -13.219
204 HE ARG 26 HE ARG 26 1.216 -11.456 -11.456
205 1HH1 ARG 26 HH21 ARG 26 -0.584 -13.822 -13.822
206 2HH1 ARG 26 HH22 ARG 26 0.262 -13.650 -13.650
207 1HH2 ARG 26 HH11 ARG 26 2.618 -11.450 -11.450
208 2HH2 ARG 26 HH12 ARG 26 2.071 -12.304 -12.304
209 H ALA 27 HN ALA 27 -3.307 -9.362 -9.362
210 HA ALA 27 HA ALA 27 -2.919 -8.421 -8.421
211 1HB ALA 27 HB3 ALA 27 -5.131 -8.972 -8.972
212 2HB ALA 27 HB1 ALA 27 -5.034 -7.249 -7.249
213 3HB ALA 27 HB2 ALA 27 -5.139 -7.793 -7.793
214 H MET 28 HN MET 28 -2.390 -7.105 -7.105
215 HA MET 28 HA MET 28 -2.379 -4.324 -4.324
216 1HB MET 28 HB1 MET 28 -2.435 -5.201 -5.201
217 2HB MET 28 HB2 MET 28 -0.756 -5.708 -5.708
218 1HG MET 28 HG1 MET 28 0.029 -3.503 -3.503
219 2HG MET 28 HG2 MET 28 -1.542 -2.864 -2.864
220 1HE MET 28 HE3 MET 28 -0.137 -5.251 -5.251
221 2HE MET 28 HE1 MET 28 0.673 -3.924 -3.924
222 3HE MET 28 HE2 MET 28 -0.667 -4.771 -4.771
223 H GLU 29 HN GLU 29 0.016 -6.872 -6.872
224 HA GLU 29 HA GLU 29 2.317 -5.225 -5.225
225 1HB GLU 29 HB1 GLU 29 1.637 -8.010 -8.010
226 2HB GLU 29 HB2 GLU 29 2.554 -7.500 -7.500
227 1HG GLU 29 HG1 GLU 29 4.157 -6.372 -6.372
228 2HG GLU 29 HG2 GLU 29 3.358 -7.369 -7.369
229 H ALA 30 HN ALA 30 -0.021 -6.557 -6.557
230 HA ALA 30 HA ALA 30 1.232 -5.424 -5.424
231 1HB ALA 30 HB2 ALA 30 -1.457 -6.555 -6.555
232 2HB ALA 30 HB3 ALA 30 -1.284 -5.623 -5.623
233 3HB ALA 30 HB1 ALA 30 -0.294 -7.059 -7.059
234 H LYS 31 HN LYS 31 -1.558 -4.285 -4.285
235 HA LYS 31 HA LYS 31 -1.908 -1.856 -1.856
236 1HB LYS 31 HB1 LYS 31 -2.833 -2.946 -2.946
237 2HB LYS 31 HB2 LYS 31 -2.896 -1.193 -1.193
238 1HG LYS 31 HG1 LYS 31 -4.251 -1.401 -1.401
239 2HG LYS 31 HG2 LYS 31 -4.054 -3.154 -3.154
240 1HD LYS 31 HD1 LYS 31 -5.852 -3.353 -3.353
241 2HD LYS 31 HD2 LYS 31 -5.042 -2.381 -2.381
242 1HE LYS 31 HE1 LYS 31 -5.804 -0.453 -0.453
243 2HE LYS 31 HE2 LYS 31 -7.125 -1.609 -1.609
244 1HZ LYS 31 HZ2 LYS 31 -7.116 -1.604 -1.604
245 2HZ LYS 31 HZ3 LYS 31 -6.228 -0.162 -0.162
246 3HZ LYS 31 HZ1 LYS 31 -7.786 -0.261 -0.261
247 H LEU 32 HN LEU 32 0.545 -2.812 -2.812
248 HA LEU 32 HA LEU 32 1.155 -0.340 -0.340
249 1HB LEU 32 HB1 LEU 32 2.175 -2.464 -2.464
250 2HB LEU 32 HB2 LEU 32 3.019 -2.577 -2.577
251 HG LEU 32 HG LEU 32 4.194 -0.453 -0.453
252 1HD1 LEU 32 HD12 LEU 32 2.549 -0.652 -0.652
253 2HD1 LEU 32 HD13 LEU 32 4.027 0.307 0.307
254 3HD1 LEU 32 HD11 LEU 32 2.661 0.703 0.703
255 1HD2 LEU 32 HD23 LEU 32 4.393 -2.901 -2.901
256 2HD2 LEU 32 HD21 LEU 32 5.631 -2.087 -2.087
257 3HD2 LEU 32 HD22 LEU 32 5.219 -1.486 -1.486
258 H LYS 33 HN LYS 33 2.323 -1.729 -1.729
259 HA LYS 33 HA LYS 33 3.938 0.592 0.592
260 1HB LYS 33 HB1 LYS 33 3.769 -2.014 -2.014
261 2HB LYS 33 HB2 LYS 33 3.142 -1.050 -1.050
262 1HG LYS 33 HG1 LYS 33 5.160 0.393 0.393
263 2HG LYS 33 HG2 LYS 33 5.790 -0.627 -0.627
264 1HD LYS 33 HD1 LYS 33 6.158 -2.435 -2.435
265 2HD LYS 33 HD2 LYS 33 4.957 -1.883 -1.883
266 1HE LYS 33 HE1 LYS 33 7.010 -1.396 -1.396
267 2HE LYS 33 HE2 LYS 33 6.546 0.147 0.147
268 1HZ LYS 33 HZ2 LYS 33 7.912 -0.480 -0.480
269 2HZ LYS 33 HZ3 LYS 33 8.469 -1.832 -1.832
270 3HZ LYS 33 HZ1 LYS 33 8.813 -0.268 -0.268
271 H ALA 34 HN ALA 34 0.675 0.314 0.314
272 HA ALA 34 HA ALA 34 0.044 1.715 1.715
273 1HB ALA 34 HB1 ALA 34 -1.386 -0.015 -0.015
274 2HB ALA 34 HB2 ALA 34 -2.017 1.532 1.532
275 3HB ALA 34 HB3 ALA 34 -2.116 1.111 1.111
276 H GLU 35 HN GLU 35 -0.131 2.411 2.411
277 HA GLU 35 HA GLU 35 -0.877 5.183 5.183
278 1HB GLU 35 HB1 GLU 35 -1.217 3.659 3.659
279 2HB GLU 35 HB2 GLU 35 0.402 4.213 4.213
280 1HG GLU 35 HG1 GLU 35 -1.505 6.308 6.308
281 2HG GLU 35 HG2 GLU 35 -1.846 5.570 5.570
282 H ILE 36 HN ILE 36 2.131 3.448 3.448
283 HA ILE 36 HA ILE 36 3.829 5.640 5.640
284 HB ILE 36 HB ILE 36 4.450 3.170 3.170
285 1HG1 ILE 36 HG11 ILE 36 6.241 5.165 5.165
286 2HG1 ILE 36 HG12 ILE 36 6.140 4.917 4.917
287 1HG2 ILE 36 HG22 ILE 36 3.542 2.880 2.880
288 2HG2 ILE 36 HG23 ILE 36 4.994 3.710 3.710
289 3HG2 ILE 36 HG21 ILE 36 5.131 2.176 2.176
290 1HD1 ILE 36 HD12 ILE 36 6.592 2.367 2.367
291 2HD1 ILE 36 HD13 ILE 36 7.714 3.477 3.477
292 3HD1 ILE 36 HD11 ILE 36 7.717 3.319 3.319
293 H GLN 37 HN GLN 37 2.725 4.390 4.390
294 HA GLN 37 HA GLN 37 4.256 5.944 5.944
295 1HB GLN 37 HB1 GLN 37 1.732 4.533 4.533
296 2HB GLN 37 HB2 GLN 37 1.643 6.031 6.031
297 1HG GLN 37 HG1 GLN 37 3.409 5.401 5.401
298 2HG GLN 37 HG2 GLN 37 4.033 4.216 4.216
299 1HE2 GLN 37 HE22 GLN 37 2.209 1.614 1.614
300 2HE2 GLN 37 HE21 GLN 37 3.566 2.101 2.101
301 H LYS 38 HN LYS 38 1.149 6.901 6.901
302 HA LYS 38 HA LYS 38 1.191 9.563 9.563
303 1HB LYS 38 HB1 LYS 38 -0.355 8.073 8.073
304 2HB LYS 38 HB2 LYS 38 -0.267 9.816 9.816
305 1HG LYS 38 HG1 LYS 38 -0.721 9.427 9.427
306 2HG LYS 38 HG2 LYS 38 -1.836 8.355 8.355
307 1HD LYS 38 HD1 LYS 38 -3.096 10.096 10.096
308 2HD LYS 38 HD2 LYS 38 -1.679 10.962 10.962
309 1HE LYS 38 HE1 LYS 38 -1.251 11.923 11.923
310 2HE LYS 38 HE2 LYS 38 -2.365 10.815 10.815
311 1HZ LYS 38 HZ2 LYS 38 -4.042 11.908 11.908
312 2HZ LYS 38 HZ3 LYS 38 -2.936 13.196 13.196
313 3HZ LYS 38 HZ1 LYS 38 -3.685 12.638 12.638
314 1HN NH2 39 1HN NH2 39 1.415 9.144 9.144
315 2HN NH2 39 2HN NH2 39 3.093 9.404 9.404
Start of MODEL 7
1 1H2 SIN 0 1H2 SIN 0 -16.070 0.152 0.152
2 2H2 SIN 0 2H2 SIN 0 -16.798 0.495 0.495
3 1H3 SIN 0 1H3 SIN 0 -13.927 -0.273 -0.273
4 2H3 SIN 0 2H3 SIN 0 -14.307 1.308 1.308
5 H ASP 1 HN ASP 1 -14.282 2.838 2.838
6 HA ASP 1 HA ASP 1 -12.318 0.806 0.806
7 1HB ASP 1 HB1 ASP 1 -11.156 1.299 1.299
8 2HB ASP 1 HB2 ASP 1 -12.579 0.255 0.255
9 H TRP 2 HN TRP 2 -13.236 3.971 3.971
10 HA TRP 2 HA TRP 2 -10.936 5.484 5.484
11 1HB TRP 2 HB1 TRP 2 -11.830 7.120 7.120
12 2HB TRP 2 HB2 TRP 2 -13.181 6.394 6.394
13 HD1 TRP 2 HD1 TRP 2 -14.467 4.376 4.376
14 HE1 TRP 2 HE1 TRP 2 -14.957 4.067 4.067
15 HE3 TRP 2 HE3 TRP 2 -11.006 7.563 7.563
16 HZ2 TRP 2 HZ2 TRP 2 -13.983 5.055 5.055
17 HZ3 TRP 2 HZ3 TRP 2 -10.802 7.868 7.868
18 HH2 TRP 2 HH2 TRP 2 -12.287 6.616 6.616
19 H LEU 3 HN LEU 3 -11.730 3.429 3.429
20 HA LEU 3 HA LEU 3 -9.732 4.327 4.327
21 1HB LEU 3 HB1 LEU 3 -11.565 2.173 2.173
22 2HB LEU 3 HB2 LEU 3 -9.972 1.469 1.469
23 HG LEU 3 HG LEU 3 -10.062 3.780 3.780
24 1HD1 LEU 3 HD11 LEU 3 -12.639 3.413 3.413
25 2HD1 LEU 3 HD12 LEU 3 -12.498 2.199 2.199
26 3HD1 LEU 3 HD13 LEU 3 -12.113 3.886 3.886
27 1HD2 LEU 3 HD21 LEU 3 -9.522 1.044 1.044
28 2HD2 LEU 3 HD22 LEU 3 -9.278 2.269 2.269
29 3HD2 LEU 3 HD23 LEU 3 -10.782 1.348 1.348
30 H LYS 4 HN LYS 4 -9.500 2.078 2.078
31 HA LYS 4 HA LYS 4 -6.961 0.988 0.988
32 1HB LYS 4 HB1 LYS 4 -8.688 1.272 1.272
33 2HB LYS 4 HB2 LYS 4 -7.142 1.949 1.949
34 1HG LYS 4 HG1 LYS 4 -7.123 -0.425 -0.425
35 2HG LYS 4 HG2 LYS 4 -6.029 -0.138 -0.138
36 1HD LYS 4 HD1 LYS 4 -7.225 -1.563 -1.563
37 2HD LYS 4 HD2 LYS 4 -8.659 -0.559 -0.559
38 1HE LYS 4 HE1 LYS 4 -7.727 -2.894 -2.894
39 2HE LYS 4 HE2 LYS 4 -9.280 -2.679 -2.679
40 1HZ LYS 4 HZ1 LYS 4 -9.157 -0.525 -0.525
41 2HZ LYS 4 HZ2 LYS 4 -8.387 -1.705 -1.705
42 3HZ LYS 4 HZ3 LYS 4 -9.964 -1.968 -1.968
43 H ALA 5 HN ALA 5 -7.848 4.223 4.223
44 HA ALA 5 HA ALA 5 -5.116 5.122 5.122
45 1HB ALA 5 HB3 ALA 5 -7.790 6.503 6.503
46 2HB ALA 5 HB1 ALA 5 -6.292 7.431 7.431
47 3HB ALA 5 HB2 ALA 5 -6.748 6.396 6.396
48 H ARG 6 HN ARG 6 -7.484 5.232 5.232
49 HA ARG 6 HA ARG 6 -6.165 6.906 6.906
50 1HB ARG 6 HB1 ARG 6 -7.832 4.412 4.412
51 2HB ARG 6 HB2 ARG 6 -7.221 5.357 5.357
52 1HG ARG 6 HG1 ARG 6 -8.685 6.767 6.767
53 2HG ARG 6 HG2 ARG 6 -9.612 5.863 5.863
54 1HD ARG 6 HD1 ARG 6 -8.964 8.425 8.425
55 2HD ARG 6 HD2 ARG 6 -9.021 7.279 7.279
56 HE ARG 6 HE ARG 6 -6.524 7.058 7.058
57 1HH1 ARG 6 HH21 ARG 6 -6.981 8.823 8.823
58 2HH1 ARG 6 HH22 ARG 6 -6.147 10.255 10.255
59 1HH2 ARG 6 HH11 ARG 6 -5.963 9.294 9.294
60 2HH2 ARG 6 HH12 ARG 6 -5.570 10.521 10.521
61 H VAL 7 HN VAL 7 -5.544 3.526 3.526
62 HA VAL 7 HA VAL 7 -3.548 3.177 3.177
63 HB VAL 7 HB VAL 7 -3.810 1.427 1.427
64 1HG1 VAL 7 HG13 VAL 7 -2.100 1.015 1.015
65 2HG1 VAL 7 HG11 VAL 7 -3.438 0.772 0.772
66 3HG1 VAL 7 HG12 VAL 7 -3.227 -0.319 -0.319
67 1HG2 VAL 7 HG22 VAL 7 -5.784 1.807 1.807
68 2HG2 VAL 7 HG23 VAL 7 -6.096 1.661 1.661
69 3HG2 VAL 7 HG21 VAL 7 -5.622 0.241 0.241
70 H GLU 8 HN GLU 8 -3.570 4.018 4.018
71 HA GLU 8 HA GLU 8 -0.785 3.632 3.632
72 1HB GLU 8 HB1 GLU 8 -3.041 5.034 5.034
73 2HB GLU 8 HB2 GLU 8 -1.454 5.722 5.722
74 1HG GLU 8 HG1 GLU 8 -0.637 3.571 3.571
75 2HG GLU 8 HG2 GLU 8 -2.132 2.778 2.778
76 H GLN 9 HN GLN 9 -2.495 6.726 6.726
77 HA GLN 9 HA GLN 9 -0.237 8.357 8.357
78 1HB GLN 9 HB1 GLN 9 -2.633 9.124 9.124
79 2HB GLN 9 HB2 GLN 9 -2.742 8.572 8.572
80 1HG GLN 9 HG1 GLN 9 -2.136 10.770 10.770
81 2HG GLN 9 HG2 GLN 9 -0.528 10.057 10.057
82 1HE2 GLN 9 HE22 GLN 9 0.142 12.401 12.401
83 2HE2 GLN 9 HE21 GLN 9 0.599 11.757 11.757
84 H GLU 10 HN GLU 10 -1.632 6.117 6.117
85 HA GLU 10 HA GLU 10 -0.153 7.023 7.023
86 1HB GLU 10 HB1 GLU 10 -1.952 4.880 4.880
87 2HB GLU 10 HB2 GLU 10 -0.545 4.214 4.214
88 1HG GLU 10 HG1 GLU 10 -0.866 6.199 6.199
89 2HG GLU 10 HG2 GLU 10 -2.484 6.315 6.315
90 H LEU 11 HN LEU 11 0.459 4.200 4.200
91 HA LEU 11 HA LEU 11 2.976 3.519 3.519
92 1HB LEU 11 HB1 LEU 11 1.956 3.208 3.208
93 2HB LEU 11 HB2 LEU 11 3.401 2.418 2.418
94 HG LEU 11 HG LEU 11 0.667 2.126 2.126
95 1HD1 LEU 11 HD11 LEU 11 1.917 0.747 0.747
96 2HD1 LEU 11 HD12 LEU 11 1.110 -0.279 -0.279
97 3HD1 LEU 11 HD13 LEU 11 0.213 1.003 1.003
98 1HD2 LEU 11 HD21 LEU 11 3.344 1.364 1.364
99 2HD2 LEU 11 HD22 LEU 11 1.848 1.067 1.067
100 3HD2 LEU 11 HD23 LEU 11 2.405 -0.094 -0.094
101 H GLN 12 HN GLN 12 2.087 6.160 6.160
102 HA GLN 12 HA GLN 12 4.603 6.668 6.668
103 1HB GLN 12 HB1 GLN 12 2.159 7.834 7.834
104 2HB GLN 12 HB2 GLN 12 3.005 9.020 9.020
105 1HG GLN 12 HG1 GLN 12 4.389 9.646 9.646
106 2HG GLN 12 HG2 GLN 12 4.521 8.003 8.003
107 1HE2 GLN 12 HE22 GLN 12 2.395 8.977 8.977
108 2HE2 GLN 12 HE21 GLN 12 3.893 8.326 8.326
109 H ALA 13 HN ALA 13 3.240 8.051 8.051
110 HA ALA 13 HA ALA 13 5.741 9.366 9.366
111 1HB ALA 13 HB3 ALA 13 3.238 9.867 9.867
112 2HB ALA 13 HB1 ALA 13 3.646 8.778 8.778
113 3HB ALA 13 HB2 ALA 13 4.585 10.250 10.250
114 H LEU 14 HN LEU 14 4.276 6.255 6.255
115 HA LEU 14 HA LEU 14 5.851 5.565 5.565
116 1HB LEU 14 HB1 LEU 14 3.839 4.339 4.339
117 2HB LEU 14 HB2 LEU 14 5.230 3.362 3.362
118 HG LEU 14 HG LEU 14 5.629 3.690 3.690
119 1HD1 LEU 14 HD13 LEU 14 3.219 4.690 4.690
120 2HD1 LEU 14 HD11 LEU 14 2.708 3.014 3.014
121 3HD1 LEU 14 HD12 LEU 14 3.598 3.497 3.497
122 1HD2 LEU 14 HD22 LEU 14 4.159 1.496 1.496
123 2HD2 LEU 14 HD23 LEU 14 5.896 1.593 1.593
124 3HD2 LEU 14 HD21 LEU 14 4.793 1.328 1.328
125 H GLU 15 HN GLU 15 6.444 5.111 5.111
126 HA GLU 15 HA GLU 15 9.017 3.815 3.815
127 1HB GLU 15 HB1 GLU 15 9.272 3.877 3.877
128 2HB GLU 15 HB2 GLU 15 7.634 3.356 3.356
129 1HG GLU 15 HG1 GLU 15 6.686 5.353 5.353
130 2HG GLU 15 HG2 GLU 15 8.150 6.283 6.283
131 H ALA 16 HN ALA 16 7.879 7.062 7.062
132 HA ALA 16 HA ALA 16 10.040 8.479 8.479
133 1HB ALA 16 HB1 ALA 16 7.836 9.372 9.372
134 2HB ALA 16 HB2 ALA 16 8.684 9.348 9.348
135 3HB ALA 16 HB3 ALA 16 9.283 10.354 10.354
136 H ARG 17 HN ARG 17 9.653 7.627 7.627
137 HA ARG 17 HA ARG 17 12.613 7.346 7.346
138 1HB ARG 17 HB1 ARG 17 10.962 9.390 9.390
139 2HB ARG 17 HB2 ARG 17 11.985 8.485 8.485
140 1HG ARG 17 HG1 ARG 17 13.968 9.049 9.049
141 2HG ARG 17 HG2 ARG 17 13.018 9.712 9.712
142 1HD ARG 17 HD1 ARG 17 12.200 11.511 11.511
143 2HD ARG 17 HD2 ARG 17 13.045 10.817 10.817
144 HE ARG 17 HE ARG 17 14.412 12.023 12.023
145 1HH1 ARG 17 HH21 ARG 17 14.876 10.213 10.213
146 2HH1 ARG 17 HH22 ARG 17 16.155 11.199 11.199
147 1HH2 ARG 17 HH11 ARG 17 15.821 13.642 13.642
148 2HH2 ARG 17 HH12 ARG 17 16.691 13.140 13.140
149 H GLY 18 HN GLY 18 11.476 5.069 5.069
150 1HA GLY 18 HA1 GLY 18 10.277 4.197 4.197
151 2HA GLY 18 HA2 GLY 18 10.603 3.174 3.174
152 H THR 19 HN THR 19 12.210 1.721 1.721
153 HA THR 19 HA THR 19 14.800 2.244 2.244
154 HB THR 19 HB THR 19 14.131 2.839 2.839
155 HG1 THR 19 HG1 THR 19 15.513 0.831 0.831
156 1HG2 THR 19 HG23 THR 19 11.924 0.931 0.931
157 2HG2 THR 19 HG21 THR 19 12.429 1.076 1.076
158 3HG2 THR 19 HG22 THR 19 11.880 2.501 2.501
159 H ASP 20 HN ASP 20 15.120 0.650 0.650
160 HA ASP 20 HA ASP 20 15.510 -1.537 -1.537
161 1HB ASP 20 HB1 ASP 20 15.417 -1.770 -1.770
162 2HB ASP 20 HB2 ASP 20 15.176 -3.269 -3.269
163 H SER 21 HN SER 21 13.202 -0.860 -0.860
164 HA SER 21 HA SER 21 11.581 -3.202 -3.202
165 1HB SER 21 HB1 SER 21 10.751 -0.977 -0.977
166 2HB SER 21 HB2 SER 21 9.532 -1.980 -1.980
167 HG SER 21 HG SER 21 10.042 -3.593 -3.593
168 H ASN 22 HN ASN 22 12.680 -1.469 -1.469
169 HA ASN 22 HA ASN 22 10.329 0.020 0.020
170 1HB ASN 22 HB1 ASN 22 11.863 1.143 1.143
171 2HB ASN 22 HB2 ASN 22 12.616 1.109 1.109
172 1HD2 ASN 22 HD21 ASN 22 12.938 0.052 0.052
173 2HD2 ASN 22 HD22 ASN 22 14.377 -0.826 -0.826
174 H ALA 23 HN ALA 23 11.061 -2.990 -2.990
175 HA ALA 23 HA ALA 23 10.571 -3.378 -3.378
176 1HB ALA 23 HB3 ALA 23 12.242 -4.941 -4.941
177 2HB ALA 23 HB1 ALA 23 11.590 -5.721 -5.721
178 3HB ALA 23 HB2 ALA 23 12.683 -4.346 -4.346
179 H GLU 24 HN GLU 24 9.887 -4.562 -4.562
180 HA GLU 24 HA GLU 24 8.019 -6.581 -6.581
181 1HB GLU 24 HB1 GLU 24 8.231 -4.820 -4.820
182 2HB GLU 24 HB2 GLU 24 7.087 -6.155 -6.155
183 1HG GLU 24 HG1 GLU 24 8.793 -7.399 -7.399
184 2HG GLU 24 HG2 GLU 24 9.417 -7.359 -7.359
185 H LEU 25 HN LEU 25 7.798 -3.157 -3.157
186 HA LEU 25 HA LEU 25 5.054 -2.671 -2.671
187 1HB LEU 25 HB1 LEU 25 6.993 -1.459 -1.459
188 2HB LEU 25 HB2 LEU 25 5.364 -0.836 -0.836
189 HG LEU 25 HG LEU 25 7.290 -1.257 -1.257
190 1HD1 LEU 25 HD12 LEU 25 8.283 0.249 0.249
191 2HD1 LEU 25 HD13 LEU 25 6.909 1.327 1.327
192 3HD1 LEU 25 HD11 LEU 25 8.036 1.024 1.024
193 1HD2 LEU 25 HD21 LEU 25 4.738 0.282 0.282
194 2HD2 LEU 25 HD22 LEU 25 5.085 -0.903 -0.903
195 3HD2 LEU 25 HD23 LEU 25 5.814 0.701 0.701
196 H ARG 26 HN ARG 26 6.671 -4.317 -4.317
197 HA ARG 26 HA ARG 26 4.403 -4.194 -4.194
198 1HB ARG 26 HB1 ARG 26 6.907 -5.891 -5.891
199 2HB ARG 26 HB2 ARG 26 5.682 -6.061 -6.061
200 1HG ARG 26 HG1 ARG 26 6.931 -3.389 -3.389
201 2HG ARG 26 HG2 ARG 26 7.656 -4.489 -4.489
202 1HD ARG 26 HD1 ARG 26 6.175 -3.844 -3.844
203 2HD ARG 26 HD2 ARG 26 4.826 -4.254 -4.254
204 HE ARG 26 HE ARG 26 5.710 -1.598 -1.598
205 1HH1 ARG 26 HH21 ARG 26 6.530 -0.863 -0.863
206 2HH1 ARG 26 HH22 ARG 26 5.152 -0.806 -0.806
207 1HH2 ARG 26 HH11 ARG 26 3.157 -2.732 -2.732
208 2HH2 ARG 26 HH12 ARG 26 3.243 -1.863 -1.863
209 H ALA 27 HN ALA 27 5.659 -6.583 -6.583
210 HA ALA 27 HA ALA 27 3.720 -8.603 -8.603
211 1HB ALA 27 HB3 ALA 27 5.925 -8.893 -8.893
212 2HB ALA 27 HB1 ALA 27 5.074 -8.252 -8.252
213 3HB ALA 27 HB2 ALA 27 4.529 -9.751 -9.751
214 H MET 28 HN MET 28 3.595 -5.701 -5.701
215 HA MET 28 HA MET 28 1.496 -6.398 -6.398
216 1HB MET 28 HB1 MET 28 2.999 -4.240 -4.240
217 2HB MET 28 HB2 MET 28 1.690 -3.643 -3.643
218 1HG MET 28 HG1 MET 28 0.265 -3.431 -3.431
219 2HG MET 28 HG2 MET 28 0.784 -4.956 -4.956
220 1HE MET 28 HE1 MET 28 0.439 -4.235 -4.235
221 2HE MET 28 HE2 MET 28 2.053 -4.640 -4.640
222 3HE MET 28 HE3 MET 28 1.345 -3.079 -3.079
223 H GLU 29 HN GLU 29 1.480 -5.561 -5.561
224 HA GLU 29 HA GLU 29 -1.194 -4.753 -4.753
225 1HB GLU 29 HB1 GLU 29 0.953 -5.632 -5.632
226 2HB GLU 29 HB2 GLU 29 -0.493 -6.523 -6.523
227 1HG GLU 29 HG1 GLU 29 -1.732 -4.439 -4.439
228 2HG GLU 29 HG2 GLU 29 -0.360 -3.510 -3.510
229 H ALA 30 HN ALA 30 0.136 -8.057 -8.057
230 HA ALA 30 HA ALA 30 -2.216 -9.490 -9.490
231 1HB ALA 30 HB3 ALA 30 0.122 -10.096 -10.096
232 2HB ALA 30 HB1 ALA 30 -1.176 -11.258 -11.258
233 3HB ALA 30 HB2 ALA 30 -0.180 -10.709 -10.709
234 H LYS 31 HN LYS 31 -1.076 -8.257 -8.257
235 HA LYS 31 HA LYS 31 -3.438 -9.235 -9.235
236 1HB LYS 31 HB1 LYS 31 -1.151 -7.436 -7.436
237 2HB LYS 31 HB2 LYS 31 -2.500 -7.786 -7.786
238 1HG LYS 31 HG1 LYS 31 -1.289 -9.606 -9.606
239 2HG LYS 31 HG2 LYS 31 -1.813 -10.295 -10.295
240 1HD LYS 31 HD1 LYS 31 0.203 -9.649 -9.649
241 2HD LYS 31 HD2 LYS 31 0.650 -8.555 -8.555
242 1HE LYS 31 HE1 LYS 31 0.300 -11.505 -11.505
243 2HE LYS 31 HE2 LYS 31 1.821 -10.879 -10.879
244 1HZ LYS 31 HZ2 LYS 31 0.740 -9.413 -9.413
245 2HZ LYS 31 HZ3 LYS 31 1.212 -11.006 -11.006
246 3HZ LYS 31 HZ1 LYS 31 2.333 -9.919 -9.919
247 H LEU 32 HN LEU 32 -2.705 -6.448 -6.448
248 HA LEU 32 HA LEU 32 -4.190 -4.414 -4.414
249 1HB LEU 32 HB1 LEU 32 -2.967 -3.889 -3.889
250 2HB LEU 32 HB2 LEU 32 -3.850 -5.093 -5.093
251 HG LEU 32 HG LEU 32 -5.926 -3.802 -3.802
252 1HD1 LEU 32 HD13 LEU 32 -5.104 -2.846 -2.846
253 2HD1 LEU 32 HD11 LEU 32 -4.288 -1.620 -1.620
254 3HD1 LEU 32 HD12 LEU 32 -6.043 -1.778 -1.778
255 1HD2 LEU 32 HD21 LEU 32 -3.498 -2.320 -2.320
256 2HD2 LEU 32 HD22 LEU 32 -4.705 -3.208 -3.208
257 3HD2 LEU 32 HD23 LEU 32 -5.129 -1.672 -1.672
258 H LYS 33 HN LYS 33 -5.357 -7.122 -7.122
259 HA LYS 33 HA LYS 33 -8.078 -6.268 -6.268
260 1HB LYS 33 HB1 LYS 33 -6.603 -8.422 -8.422
261 2HB LYS 33 HB2 LYS 33 -7.759 -9.166 -9.166
262 1HG LYS 33 HG1 LYS 33 -9.566 -7.802 -7.802
263 2HG LYS 33 HG2 LYS 33 -8.360 -7.352 -7.352
264 1HD LYS 33 HD1 LYS 33 -8.078 -9.624 -9.624
265 2HD LYS 33 HD2 LYS 33 -8.968 -10.233 -10.233
266 1HE LYS 33 HE1 LYS 33 -10.506 -10.336 -10.336
267 2HE LYS 33 HE2 LYS 33 -10.971 -8.904 -8.904
268 1HZ LYS 33 HZ1 LYS 33 -9.495 -7.627 -7.627
269 2HZ LYS 33 HZ2 LYS 33 -9.419 -9.025 -9.025
270 3HZ LYS 33 HZ3 LYS 33 -10.910 -8.259 -8.259
271 H ALA 34 HN ALA 34 -6.457 -8.532 -8.532
272 HA ALA 34 HA ALA 34 -8.750 -9.071 -9.071
273 1HB ALA 34 HB1 ALA 34 -6.225 -10.024 -10.024
274 2HB ALA 34 HB2 ALA 34 -6.109 -8.925 -8.925
275 3HB ALA 34 HB3 ALA 34 -7.306 -10.219 -10.219
276 H GLU 35 HN GLU 35 -6.910 -6.205 -6.205
277 HA GLU 35 HA GLU 35 -7.481 -5.193 -5.193
278 1HB GLU 35 HB1 GLU 35 -5.464 -4.533 -4.533
279 2HB GLU 35 HB2 GLU 35 -6.580 -3.596 -3.596
280 1HG GLU 35 HG1 GLU 35 -7.173 -2.185 -2.185
281 2HG GLU 35 HG2 GLU 35 -6.405 -3.262 -3.262
282 H ILE 36 HN ILE 36 -8.840 -4.908 -4.908
283 HA ILE 36 HA ILE 36 -10.568 -2.718 -2.718
284 HB ILE 36 HB ILE 36 -11.281 -5.268 -5.268
285 1HG1 ILE 36 HG11 ILE 36 -9.090 -4.685 -4.685
286 2HG1 ILE 36 HG12 ILE 36 -10.199 -3.996 -3.996
287 1HG2 ILE 36 HG21 ILE 36 -12.526 -2.689 -2.689
288 2HG2 ILE 36 HG22 ILE 36 -11.985 -2.846 -2.846
289 3HG2 ILE 36 HG23 ILE 36 -13.071 -4.051 -4.051
290 1HD1 ILE 36 HD13 ILE 36 -9.025 -2.465 -2.465
291 2HD1 ILE 36 HD11 ILE 36 -8.396 -2.405 -2.405
292 3HD1 ILE 36 HD12 ILE 36 -10.017 -1.802 -1.802
293 H GLN 37 HN GLN 37 -10.806 -5.986 -5.986
294 HA GLN 37 HA GLN 37 -13.536 -6.125 -6.125
295 1HB GLN 37 HB1 GLN 37 -11.649 -7.865 -7.865
296 2HB GLN 37 HB2 GLN 37 -11.406 -7.041 -7.041
297 1HG GLN 37 HG1 GLN 37 -13.337 -7.868 -7.868
298 2HG GLN 37 HG2 GLN 37 -14.225 -7.652 -7.652
299 1HE2 GLN 37 HE22 GLN 37 -13.912 -11.317 -11.317
300 2HE2 GLN 37 HE21 GLN 37 -14.711 -10.035 -10.035
301 H LYS 38 HN LYS 38 -10.899 -4.824 -4.824
302 HA LYS 38 HA LYS 38 -12.459 -3.919 -3.919
303 1HB LYS 38 HB1 LYS 38 -10.065 -2.513 -2.513
304 2HB LYS 38 HB2 LYS 38 -10.683 -2.266 -2.266
305 1HG LYS 38 HG1 LYS 38 -10.391 -4.906 -4.906
306 2HG LYS 38 HG2 LYS 38 -9.212 -4.609 -4.609
307 1HD LYS 38 HD1 LYS 38 -8.461 -2.664 -2.664
308 2HD LYS 38 HD2 LYS 38 -9.169 -3.759 -3.759
309 1HE LYS 38 HE1 LYS 38 -7.024 -4.618 -4.618
310 2HE LYS 38 HE2 LYS 38 -7.745 -5.557 -5.557
311 1HZ LYS 38 HZ3 LYS 38 -6.946 -3.897 -3.897
312 2HZ LYS 38 HZ1 LYS 38 -6.231 -3.020 -3.020
313 3HZ LYS 38 HZ2 LYS 38 -5.660 -4.574 -4.574
314 1HN NH2 39 1HN NH2 39 -14.047 -2.239 -2.239
315 2HN NH2 39 2HN NH2 39 -12.408 -2.235 -2.235
Start of MODEL 8
1 1H2 SIN 0 1H2 SIN 0 11.585 8.641 8.641
2 2H2 SIN 0 2H2 SIN 0 12.796 9.126 9.126
3 1H3 SIN 0 1H3 SIN 0 10.768 9.202 9.202
4 2H3 SIN 0 2H3 SIN 0 11.047 10.885 10.885
5 H ASP 1 HN ASP 1 9.644 11.856 11.856
6 HA ASP 1 HA ASP 1 7.766 10.416 10.416
7 1HB ASP 1 HB1 ASP 1 6.795 12.542 12.542
8 2HB ASP 1 HB2 ASP 1 8.525 12.825 12.825
9 H TRP 2 HN TRP 2 7.411 11.984 11.984
10 HA TRP 2 HA TRP 2 4.690 11.770 11.770
11 1HB TRP 2 HB1 TRP 2 5.123 11.630 11.630
12 2HB TRP 2 HB2 TRP 2 6.394 12.632 12.632
13 HD1 TRP 2 HD1 TRP 2 8.714 11.349 11.349
14 HE1 TRP 2 HE1 TRP 2 9.897 9.424 9.424
15 HE3 TRP 2 HE3 TRP 2 4.799 9.574 9.574
16 HZ2 TRP 2 HZ2 TRP 2 9.236 7.388 7.388
17 HZ3 TRP 2 HZ3 TRP 2 5.091 7.643 7.643
18 HH2 TRP 2 HH2 TRP 2 7.306 6.550 6.550
19 H LEU 3 HN LEU 3 7.079 9.188 9.188
20 HA LEU 3 HA LEU 3 5.539 7.138 7.138
21 1HB LEU 3 HB1 LEU 3 7.826 7.219 7.219
22 2HB LEU 3 HB2 LEU 3 6.959 5.692 5.692
23 HG LEU 3 HG LEU 3 7.311 6.711 6.711
24 1HD1 LEU 3 HD12 LEU 3 9.106 8.113 8.113
25 2HD1 LEU 3 HD13 LEU 3 9.987 6.590 6.590
26 3HD1 LEU 3 HD11 LEU 3 9.593 7.253 7.253
27 1HD2 LEU 3 HD21 LEU 3 8.340 4.436 4.436
28 2HD2 LEU 3 HD22 LEU 3 7.361 4.402 4.402
29 3HD2 LEU 3 HD23 LEU 3 9.091 4.729 4.729
30 H LYS 4 HN LYS 4 5.744 8.099 8.099
31 HA LYS 4 HA LYS 4 4.093 6.156 6.156
32 1HB LYS 4 HB1 LYS 4 4.478 9.081 9.081
33 2HB LYS 4 HB2 LYS 4 3.241 8.182 8.182
34 1HG LYS 4 HG1 LYS 4 4.902 6.583 6.583
35 2HG LYS 4 HG2 LYS 4 6.150 7.345 7.345
36 1HD LYS 4 HD1 LYS 4 5.913 9.427 9.427
37 2HD LYS 4 HD2 LYS 4 4.637 8.688 8.688
38 1HE LYS 4 HE1 LYS 4 7.307 7.326 7.326
39 2HE LYS 4 HE2 LYS 4 7.120 8.697 8.697
40 1HZ LYS 4 HZ1 LYS 4 4.907 7.066 7.066
41 2HZ LYS 4 HZ2 LYS 4 6.258 6.035 6.035
42 3HZ LYS 4 HZ3 LYS 4 6.189 7.327 7.327
43 H ALA 5 HN ALA 5 3.177 8.913 8.913
44 HA ALA 5 HA ALA 5 0.317 8.502 8.502
45 1HB ALA 5 HB3 ALA 5 1.587 10.688 10.688
46 2HB ALA 5 HB1 ALA 5 1.477 10.021 10.021
47 3HB ALA 5 HB2 ALA 5 0.008 10.352 10.352
48 H ARG 6 HN ARG 6 2.703 7.665 7.665
49 HA ARG 6 HA ARG 6 0.626 6.359 6.359
50 1HB ARG 6 HB1 ARG 6 2.301 6.071 6.071
51 2HB ARG 6 HB2 ARG 6 2.568 7.676 7.676
52 1HG ARG 6 HG1 ARG 6 4.710 7.008 7.008
53 2HG ARG 6 HG2 ARG 6 4.081 6.036 6.036
54 1HD ARG 6 HD1 ARG 6 3.530 4.398 4.398
55 2HD ARG 6 HD2 ARG 6 4.980 5.201 5.201
56 HE ARG 6 HE ARG 6 5.423 4.350 4.350
57 1HH1 ARG 6 HH11 ARG 6 6.344 3.794 3.794
58 2HH1 ARG 6 HH12 ARG 6 6.721 2.115 2.115
59 1HH2 ARG 6 HH21 ARG 6 5.346 1.911 1.911
60 2HH2 ARG 6 HH22 ARG 6 6.161 1.050 1.050
61 H VAL 7 HN VAL 7 2.038 5.470 5.470
62 HA VAL 7 HA VAL 7 2.832 2.759 2.759
63 HB VAL 7 HB VAL 7 2.822 4.216 4.216
64 1HG1 VAL 7 HG12 VAL 7 2.650 1.386 1.386
65 2HG1 VAL 7 HG13 VAL 7 4.238 1.760 1.760
66 3HG1 VAL 7 HG11 VAL 7 2.781 2.230 2.230
67 1HG2 VAL 7 HG22 VAL 7 4.697 3.880 3.880
68 2HG2 VAL 7 HG23 VAL 7 4.914 4.762 4.762
69 3HG2 VAL 7 HG21 VAL 7 5.321 3.048 3.048
70 H GLU 8 HN GLU 8 0.760 3.875 3.875
71 HA GLU 8 HA GLU 8 -0.764 1.553 1.553
72 1HB GLU 8 HB1 GLU 8 -2.560 3.027 3.027
73 2HB GLU 8 HB2 GLU 8 -0.968 3.425 3.425
74 1HG GLU 8 HG1 GLU 8 -0.768 5.340 5.340
75 2HG GLU 8 HG2 GLU 8 -2.100 4.821 4.821
76 H GLN 9 HN GLN 9 -0.865 3.918 3.918
77 HA GLN 9 HA GLN 9 -3.489 3.332 3.332
78 1HB GLN 9 HB1 GLN 9 -1.014 4.542 4.542
79 2HB GLN 9 HB2 GLN 9 -2.468 4.259 4.259
80 1HG GLN 9 HG1 GLN 9 -3.779 5.676 5.676
81 2HG GLN 9 HG2 GLN 9 -2.457 5.802 5.802
82 1HE2 GLN 9 HE22 GLN 9 -2.242 8.902 8.902
83 2HE2 GLN 9 HE21 GLN 9 -3.251 8.235 8.235
84 H GLU 10 HN GLU 10 -0.267 2.228 2.228
85 HA GLU 10 HA GLU 10 -1.288 0.376 0.376
86 1HB GLU 10 HB1 GLU 10 0.925 -0.412 -0.412
87 2HB GLU 10 HB2 GLU 10 1.132 1.260 1.260
88 1HG GLU 10 HG1 GLU 10 1.242 0.380 0.380
89 2HG GLU 10 HG2 GLU 10 1.341 -1.239 -1.239
90 H LEU 11 HN LEU 11 -0.429 -0.018 -0.018
91 HA LEU 11 HA LEU 11 -0.919 -2.851 -2.851
92 1HB LEU 11 HB1 LEU 11 -0.822 -0.751 -0.751
93 2HB LEU 11 HB2 LEU 11 -1.036 -2.471 -2.471
94 HG LEU 11 HG LEU 11 1.225 -1.623 -1.623
95 1HD1 LEU 11 HD12 LEU 11 0.883 -0.497 -0.497
96 2HD1 LEU 11 HD13 LEU 11 2.029 -1.818 -1.818
97 3HD1 LEU 11 HD11 LEU 11 2.377 -0.548 -0.548
98 1HD2 LEU 11 HD21 LEU 11 0.366 -4.034 -4.034
99 2HD2 LEU 11 HD22 LEU 11 2.070 -3.694 -3.694
100 3HD2 LEU 11 HD23 LEU 11 1.442 -3.635 -3.635
101 H GLN 12 HN GLN 12 -2.994 -0.099 -0.099
102 HA GLN 12 HA GLN 12 -5.214 -1.086 -1.086
103 1HB GLN 12 HB1 GLN 12 -4.669 1.122 1.122
104 2HB GLN 12 HB2 GLN 12 -6.150 0.357 0.357
105 1HG GLN 12 HG1 GLN 12 -6.813 0.319 0.319
106 2HG GLN 12 HG2 GLN 12 -5.570 1.559 1.559
107 1HE2 GLN 12 HE22 GLN 12 -7.962 3.971 3.971
108 2HE2 GLN 12 HE21 GLN 12 -6.789 3.476 3.476
109 H ALA 13 HN ALA 13 -3.969 -2.008 -2.008
110 HA ALA 13 HA ALA 13 -6.367 -3.143 -3.143
111 1HB ALA 13 HB1 ALA 13 -4.027 -2.670 -2.670
112 2HB ALA 13 HB2 ALA 13 -3.641 -4.295 -4.295
113 3HB ALA 13 HB3 ALA 13 -4.980 -4.045 -4.045
114 H LEU 14 HN LEU 14 -3.565 -4.845 -4.845
115 HA LEU 14 HA LEU 14 -5.022 -7.307 -7.307
116 1HB LEU 14 HB1 LEU 14 -2.369 -6.266 -6.266
117 2HB LEU 14 HB2 LEU 14 -3.001 -7.383 -7.383
118 HG LEU 14 HG LEU 14 -3.566 -8.951 -8.951
119 1HD1 LEU 14 HD11 LEU 14 -2.060 -6.778 -6.778
120 2HD1 LEU 14 HD12 LEU 14 -1.969 -8.441 -8.441
121 3HD1 LEU 14 HD13 LEU 14 -3.529 -7.622 -7.622
122 1HD2 LEU 14 HD22 LEU 14 -0.798 -8.182 -8.182
123 2HD2 LEU 14 HD23 LEU 14 -1.702 -9.658 -9.658
124 3HD2 LEU 14 HD21 LEU 14 -0.986 -9.408 -9.408
125 H GLU 15 HN GLU 15 -5.038 -4.367 -4.367
126 HA GLU 15 HA GLU 15 -5.734 -5.464 -5.464
127 1HB GLU 15 HB1 GLU 15 -5.350 -2.836 -2.836
128 2HB GLU 15 HB2 GLU 15 -6.789 -2.869 -2.869
129 1HG GLU 15 HG1 GLU 15 -3.989 -3.722 -3.722
130 2HG GLU 15 HG2 GLU 15 -4.850 -2.289 -2.289
131 H ALA 16 HN ALA 16 -7.429 -4.857 -4.857
132 HA ALA 16 HA ALA 16 -10.062 -4.394 -4.394
133 1HB ALA 16 HB1 ALA 16 -8.770 -5.384 -5.384
134 2HB ALA 16 HB2 ALA 16 -10.318 -6.182 -6.182
135 3HB ALA 16 HB3 ALA 16 -10.240 -4.424 -4.424
136 H ARG 17 HN ARG 17 -9.232 -7.624 -7.624
137 HA ARG 17 HA ARG 17 -10.006 -9.724 -9.724
138 1HB ARG 17 HB1 ARG 17 -8.514 -8.457 -8.457
139 2HB ARG 17 HB2 ARG 17 -9.846 -9.341 -9.341
140 1HG ARG 17 HG1 ARG 17 -8.676 -11.244 -11.244
141 2HG ARG 17 HG2 ARG 17 -8.835 -11.017 -11.017
142 1HD ARG 17 HD1 ARG 17 -6.472 -11.209 -11.209
143 2HD ARG 17 HD2 ARG 17 -6.804 -9.543 -9.543
144 HE ARG 17 HE ARG 17 -6.725 -8.934 -8.934
145 1HH1 ARG 17 HH11 ARG 17 -6.929 -12.170 -12.170
146 2HH1 ARG 17 HH12 ARG 17 -5.467 -12.406 -12.406
147 1HH2 ARG 17 HH21 ARG 17 -4.297 -9.189 -9.189
148 2HH2 ARG 17 HH22 ARG 17 -3.978 -10.718 -10.718
149 H GLY 18 HN GLY 18 -12.007 -7.492 -7.492
150 1HA GLY 18 HA1 GLY 18 -14.328 -7.356 -7.356
151 2HA GLY 18 HA2 GLY 18 -14.227 -8.912 -8.912
152 H THR 19 HN THR 19 -15.267 -8.512 -8.512
153 HA THR 19 HA THR 19 -14.433 -6.096 -6.096
154 HB THR 19 HB THR 19 -16.528 -6.501 -6.501
155 HG1 THR 19 HG1 THR 19 -16.406 -8.833 -8.833
156 1HG2 THR 19 HG23 THR 19 -16.533 -6.022 -6.022
157 2HG2 THR 19 HG21 THR 19 -18.074 -6.122 -6.122
158 3HG2 THR 19 HG22 THR 19 -16.889 -4.900 -4.900
159 H ASP 20 HN ASP 20 -12.477 -7.790 -7.790
160 HA ASP 20 HA ASP 20 -12.851 -8.931 -8.931
161 1HB ASP 20 HB1 ASP 20 -13.060 -10.603 -10.603
162 2HB ASP 20 HB2 ASP 20 -11.359 -10.757 -10.757
163 H SER 21 HN SER 21 -11.452 -6.844 -6.844
164 HA SER 21 HA SER 21 -8.830 -7.432 -7.432
165 1HB SER 21 HB1 SER 21 -9.170 -7.292 -7.292
166 2HB SER 21 HB2 SER 21 -7.944 -6.178 -6.178
167 HG SER 21 HG SER 21 -7.709 -8.769 -8.769
168 H ASN 22 HN ASN 22 -10.965 -5.626 -5.626
169 HA ASN 22 HA ASN 22 -9.932 -2.946 -2.946
170 1HB ASN 22 HB1 ASN 22 -12.492 -3.967 -3.967
171 2HB ASN 22 HB2 ASN 22 -12.058 -2.912 -2.912
172 1HD2 ASN 22 HD21 ASN 22 -12.937 -0.874 -0.874
173 2HD2 ASN 22 HD22 ASN 22 -12.904 -0.083 -0.083
174 H ALA 23 HN ALA 23 -8.612 -4.992 -4.992
175 HA ALA 23 HA ALA 23 -8.270 -3.135 -3.135
176 1HB ALA 23 HB2 ALA 23 -8.742 -6.068 -6.068
177 2HB ALA 23 HB3 ALA 23 -7.557 -5.498 -5.498
178 3HB ALA 23 HB1 ALA 23 -9.212 -4.891 -4.891
179 H GLU 24 HN GLU 24 -6.745 -5.638 -5.638
180 HA GLU 24 HA GLU 24 -4.107 -5.396 -5.396
181 1HB GLU 24 HB1 GLU 24 -5.386 -6.447 -6.447
182 2HB GLU 24 HB2 GLU 24 -3.730 -5.892 -5.892
183 1HG GLU 24 HG1 GLU 24 -4.642 -7.846 -7.846
184 2HG GLU 24 HG2 GLU 24 -3.772 -8.269 -8.269
185 H LEU 25 HN LEU 25 -5.980 -3.262 -3.262
186 HA LEU 25 HA LEU 25 -4.036 -1.836 -1.836
187 1HB LEU 25 HB1 LEU 25 -6.422 -0.674 -0.674
188 2HB LEU 25 HB2 LEU 25 -5.554 0.094 0.094
189 HG LEU 25 HG LEU 25 -6.499 -2.666 -2.666
190 1HD1 LEU 25 HD12 LEU 25 -8.420 -0.333 -0.333
191 2HD1 LEU 25 HD13 LEU 25 -8.817 -1.891 -1.891
192 3HD1 LEU 25 HD11 LEU 25 -8.413 -1.794 -1.794
193 1HD2 LEU 25 HD23 LEU 25 -5.376 -0.985 -0.985
194 2HD2 LEU 25 HD21 LEU 25 -6.827 -1.797 -1.797
195 3HD2 LEU 25 HD22 LEU 25 -6.922 -0.137 -0.137
196 H ARG 26 HN ARG 26 -4.826 -1.667 -1.667
197 HA ARG 26 HA ARG 26 -3.129 0.637 0.637
198 1HB ARG 26 HB1 ARG 26 -4.250 -1.451 -1.451
199 2HB ARG 26 HB2 ARG 26 -3.481 0.058 0.058
200 1HG ARG 26 HG1 ARG 26 -5.938 -0.119 -0.119
201 2HG ARG 26 HG2 ARG 26 -5.981 0.202 0.202
202 1HD ARG 26 HD1 ARG 26 -5.780 2.388 2.388
203 2HD ARG 26 HD2 ARG 26 -4.103 2.019 2.019
204 HE ARG 26 HE ARG 26 -4.695 2.016 2.016
205 1HH1 ARG 26 HH21 ARG 26 -7.540 1.179 1.179
206 2HH1 ARG 26 HH22 ARG 26 -8.576 2.155 2.155
207 1HH2 ARG 26 HH11 ARG 26 -5.966 3.798 3.798
208 2HH2 ARG 26 HH12 ARG 26 -7.685 3.636 3.636
209 H ALA 27 HN ALA 27 -2.768 -2.885 -2.885
210 HA ALA 27 HA ALA 27 -0.138 -2.737 -2.737
211 1HB ALA 27 HB1 ALA 27 -1.583 -4.968 -4.968
212 2HB ALA 27 HB2 ALA 27 -0.020 -5.167 -5.167
213 3HB ALA 27 HB3 ALA 27 -1.444 -4.749 -4.749
214 H MET 28 HN MET 28 -1.228 -2.040 -2.040
215 HA MET 28 HA MET 28 1.033 -3.074 -3.074
216 1HB MET 28 HB1 MET 28 -1.354 -2.304 -2.304
217 2HB MET 28 HB2 MET 28 -0.585 -0.721 -0.721
218 1HG MET 28 HG1 MET 28 -0.282 -1.729 -1.729
219 2HG MET 28 HG2 MET 28 1.274 -1.876 -1.876
220 1HE MET 28 HE2 MET 28 2.328 -3.724 -3.724
221 2HE MET 28 HE3 MET 28 1.530 -5.187 -5.187
222 3HE MET 28 HE1 MET 28 1.042 -3.607 -3.607
223 H GLU 29 HN GLU 29 0.147 0.154 0.154
224 HA GLU 29 HA GLU 29 2.290 1.659 1.659
225 1HB GLU 29 HB1 GLU 29 2.047 3.048 3.048
226 2HB GLU 29 HB2 GLU 29 0.470 2.607 2.607
227 1HG GLU 29 HG1 GLU 29 0.935 0.507 0.507
228 2HG GLU 29 HG2 GLU 29 1.748 1.811 1.811
229 H ALA 30 HN ALA 30 2.352 -0.911 -0.911
230 HA ALA 30 HA ALA 30 4.802 -0.272 -0.272
231 1HB ALA 30 HB1 ALA 30 3.173 -2.741 -2.741
232 2HB ALA 30 HB2 ALA 30 4.832 -2.933 -2.933
233 3HB ALA 30 HB3 ALA 30 3.684 -1.976 -1.976
234 H LYS 31 HN LYS 31 4.367 -2.869 -2.869
235 HA LYS 31 HA LYS 31 7.147 -2.990 -2.990
236 1HB LYS 31 HB1 LYS 31 4.632 -4.074 -4.074
237 2HB LYS 31 HB2 LYS 31 6.091 -4.092 -4.092
238 1HG LYS 31 HG1 LYS 31 6.085 -6.175 -6.175
239 2HG LYS 31 HG2 LYS 31 7.259 -5.167 -5.167
240 1HD LYS 31 HD1 LYS 31 5.484 -4.544 -4.544
241 2HD LYS 31 HD2 LYS 31 4.374 -5.641 -5.641
242 1HE LYS 31 HE1 LYS 31 5.332 -7.483 -7.483
243 2HE LYS 31 HE2 LYS 31 6.965 -6.856 -6.856
244 1HZ LYS 31 HZ2 LYS 31 6.511 -5.331 -5.331
245 2HZ LYS 31 HZ3 LYS 31 5.058 -6.167 -6.167
246 3HZ LYS 31 HZ1 LYS 31 6.540 -6.975 -6.975
247 H LEU 32 HN LEU 32 4.755 -0.722 -0.722
248 HA LEU 32 HA LEU 32 5.506 -0.016 -0.016
249 1HB LEU 32 HB1 LEU 32 3.735 0.986 0.986
250 2HB LEU 32 HB2 LEU 32 4.926 2.280 2.280
251 HG LEU 32 HG LEU 32 3.416 2.827 2.827
252 1HD1 LEU 32 HD12 LEU 32 5.940 2.096 2.096
253 2HD1 LEU 32 HD13 LEU 32 4.981 1.083 1.083
254 3HD1 LEU 32 HD11 LEU 32 4.777 2.834 2.834
255 1HD2 LEU 32 HD23 LEU 32 2.622 0.175 0.175
256 2HD2 LEU 32 HD21 LEU 32 1.943 1.348 1.348
257 3HD2 LEU 32 HD22 LEU 32 3.231 0.263 0.263
258 H LYS 33 HN LYS 33 6.753 1.280 1.280
259 HA LYS 33 HA LYS 33 8.705 2.981 2.981
260 1HB LYS 33 HB1 LYS 33 7.813 2.553 2.553
261 2HB LYS 33 HB2 LYS 33 9.431 1.851 1.851
262 1HG LYS 33 HG1 LYS 33 9.736 4.149 4.149
263 2HG LYS 33 HG2 LYS 33 10.224 4.011 4.011
264 1HD LYS 33 HD1 LYS 33 8.569 5.393 5.393
265 2HD LYS 33 HD2 LYS 33 7.362 4.503 4.503
266 1HE LYS 33 HE1 LYS 33 9.318 6.354 6.354
267 2HE LYS 33 HE2 LYS 33 7.824 6.972 6.972
268 1HZ LYS 33 HZ3 LYS 33 7.768 4.650 4.650
269 2HZ LYS 33 HZ1 LYS 33 7.832 6.223 6.223
270 3HZ LYS 33 HZ2 LYS 33 6.532 5.760 5.760
271 H ALA 34 HN ALA 34 8.597 -0.425 -0.425
272 HA ALA 34 HA ALA 34 11.446 -0.911 -0.911
273 1HB ALA 34 HB3 ALA 34 9.734 -2.614 -2.614
274 2HB ALA 34 HB1 ALA 34 9.263 -2.712 -2.712
275 3HB ALA 34 HB2 ALA 34 10.879 -3.215 -3.215
276 H GLU 35 HN GLU 35 9.126 -0.975 -0.975
277 HA GLU 35 HA GLU 35 11.294 -1.322 -1.322
278 1HB GLU 35 HB1 GLU 35 8.876 -2.170 -2.170
279 2HB GLU 35 HB2 GLU 35 8.458 -0.503 -0.503
280 1HG GLU 35 HG1 GLU 35 10.605 -0.856 -0.856
281 2HG GLU 35 HG2 GLU 35 9.986 -2.507 -2.507
282 H ILE 36 HN ILE 36 9.304 1.341 1.341
283 HA ILE 36 HA ILE 36 9.914 3.296 3.296
284 HB ILE 36 HB ILE 36 9.479 3.571 3.571
285 1HG1 ILE 36 HG11 ILE 36 7.670 4.066 4.066
286 2HG1 ILE 36 HG12 ILE 36 7.585 2.663 2.663
287 1HG2 ILE 36 HG23 ILE 36 9.956 5.596 5.596
288 2HG2 ILE 36 HG21 ILE 36 8.834 5.986 5.986
289 3HG2 ILE 36 HG22 ILE 36 10.514 5.599 5.599
290 1HD1 ILE 36 HD12 ILE 36 7.574 4.887 4.887
291 2HD1 ILE 36 HD13 ILE 36 6.500 5.329 5.329
292 3HD1 ILE 36 HD11 ILE 36 6.197 3.860 3.860
293 H GLN 37 HN GLN 37 11.957 1.830 1.830
294 HA GLN 37 HA GLN 37 13.886 3.747 3.747
295 1HB GLN 37 HB1 GLN 37 14.229 0.822 0.822
296 2HB GLN 37 HB2 GLN 37 15.560 1.828 1.828
297 1HG GLN 37 HG1 GLN 37 13.250 2.201 2.201
298 2HG GLN 37 HG2 GLN 37 13.630 0.483 0.483
299 1HE2 GLN 37 HE22 GLN 37 16.007 2.885 2.885
300 2HE2 GLN 37 HE21 GLN 37 14.541 3.420 3.420
301 H LYS 38 HN LYS 38 13.362 2.063 2.063
302 HA LYS 38 HA LYS 38 14.746 4.119 4.119
303 1HB LYS 38 HB1 LYS 38 16.611 2.779 2.779
304 2HB LYS 38 HB2 LYS 38 16.696 2.863 2.863
305 1HG LYS 38 HG1 LYS 38 15.152 0.651 0.651
306 2HG LYS 38 HG2 LYS 38 16.120 0.546 0.546
307 1HD LYS 38 HD1 LYS 38 17.310 -0.640 -0.640
308 2HD LYS 38 HD2 LYS 38 18.174 0.869 0.869
309 1HE LYS 38 HE1 LYS 38 17.881 1.475 1.475
310 2HE LYS 38 HE2 LYS 38 16.133 1.336 1.336
311 1HZ LYS 38 HZ3 LYS 38 17.619 -1.155 -1.155
312 2HZ LYS 38 HZ1 LYS 38 17.539 -0.196 -0.196
313 3HZ LYS 38 HZ2 LYS 38 16.108 -0.723 -0.723
314 1HN NH2 39 1HN NH2 39 13.373 3.465 3.465
315 2HN NH2 39 2HN NH2 39 12.265 3.541 3.541
Start of MODEL 9
1 1H2 SIN 0 1H2 SIN 0 15.708 2.460 2.460
2 2H2 SIN 0 2H2 SIN 0 13.944 2.414 2.414
3 1H3 SIN 0 1H3 SIN 0 14.641 4.155 4.155
4 2H3 SIN 0 2H3 SIN 0 15.741 4.574 4.574
5 H ASP 1 HN ASP 1 14.888 5.682 5.682
6 HA ASP 1 HA ASP 1 12.489 4.687 4.687
7 1HB ASP 1 HB1 ASP 1 13.697 7.338 7.338
8 2HB ASP 1 HB2 ASP 1 12.869 6.163 6.163
9 H TRP 2 HN TRP 2 13.104 7.658 7.658
10 HA TRP 2 HA TRP 2 10.803 9.114 9.114
11 1HB TRP 2 HB1 TRP 2 11.080 10.087 10.087
12 2HB TRP 2 HB2 TRP 2 12.699 9.684 9.684
13 HD1 TRP 2 HD1 TRP 2 13.703 7.319 7.319
14 HE1 TRP 2 HE1 TRP 2 13.406 6.122 6.122
15 HE3 TRP 2 HE3 TRP 2 9.519 9.688 9.688
16 HZ2 TRP 2 HZ2 TRP 2 11.598 6.175 6.175
17 HZ3 TRP 2 HZ3 TRP 2 8.523 9.104 9.104
18 HH2 TRP 2 HH2 TRP 2 9.558 7.350 7.350
19 H LEU 3 HN LEU 3 11.151 6.215 6.215
20 HA LEU 3 HA LEU 3 8.664 6.255 6.255
21 1HB LEU 3 HB1 LEU 3 10.535 4.080 4.080
22 2HB LEU 3 HB2 LEU 3 8.940 3.635 3.635
23 HG LEU 3 HG LEU 3 10.034 5.660 5.660
24 1HD1 LEU 3 HD11 LEU 3 12.169 4.559 4.559
25 2HD1 LEU 3 HD12 LEU 3 11.805 3.239 3.239
26 3HD1 LEU 3 HD13 LEU 3 12.124 4.857 4.857
27 1HD2 LEU 3 HD21 LEU 3 9.560 2.692 2.692
28 2HD2 LEU 3 HD22 LEU 3 8.357 3.964 3.964
29 3HD2 LEU 3 HD23 LEU 3 9.756 3.887 3.887
30 H LYS 4 HN LYS 4 9.482 4.872 4.872
31 HA LYS 4 HA LYS 4 6.996 3.763 3.763
32 1HB LYS 4 HB1 LYS 4 9.197 5.013 5.013
33 2HB LYS 4 HB2 LYS 4 7.658 4.753 4.753
34 1HG LYS 4 HG1 LYS 4 7.871 2.474 2.474
35 2HG LYS 4 HG2 LYS 4 8.641 2.485 2.485
36 1HD LYS 4 HD1 LYS 4 10.734 3.322 3.322
37 2HD LYS 4 HD2 LYS 4 9.954 3.226 3.226
38 1HE LYS 4 HE1 LYS 4 11.354 1.220 1.220
39 2HE LYS 4 HE2 LYS 4 9.655 0.814 0.814
40 1HZ LYS 4 HZ1 LYS 4 10.469 1.453 1.453
41 2HZ LYS 4 HZ2 LYS 4 11.049 -0.013 -0.013
42 3HZ LYS 4 HZ3 LYS 4 9.378 0.281 0.281
43 H ALA 5 HN ALA 5 7.921 7.139 7.139
44 HA ALA 5 HA ALA 5 5.462 8.068 8.068
45 1HB ALA 5 HB2 ALA 5 7.953 9.193 9.193
46 2HB ALA 5 HB3 ALA 5 6.898 10.028 10.028
47 3HB ALA 5 HB1 ALA 5 6.533 10.059 10.059
48 H ARG 6 HN ARG 6 6.715 7.764 7.764
49 HA ARG 6 HA ARG 6 4.242 8.887 8.887
50 1HB ARG 6 HB1 ARG 6 5.310 8.701 8.701
51 2HB ARG 6 HB2 ARG 6 6.500 9.338 9.338
52 1HG ARG 6 HG1 ARG 6 7.826 7.658 7.658
53 2HG ARG 6 HG2 ARG 6 6.854 6.623 6.623
54 1HD ARG 6 HD1 ARG 6 6.870 5.636 5.636
55 2HD ARG 6 HD2 ARG 6 5.264 6.309 6.309
56 HE ARG 6 HE ARG 6 6.647 8.363 8.363
57 1HH1 ARG 6 HH11 ARG 6 5.371 5.256 5.256
58 2HH1 ARG 6 HH12 ARG 6 5.659 5.336 5.336
59 1HH2 ARG 6 HH21 ARG 6 7.303 8.385 8.385
60 2HH2 ARG 6 HH22 ARG 6 6.753 7.106 7.106
61 H VAL 7 HN VAL 7 4.928 5.989 5.989
62 HA VAL 7 HA VAL 7 3.701 4.336 4.336
63 HB VAL 7 HB VAL 7 4.734 3.657 3.657
64 1HG1 VAL 7 HG13 VAL 7 2.825 2.210 2.210
65 2HG1 VAL 7 HG11 VAL 7 3.860 1.756 1.756
66 3HG1 VAL 7 HG12 VAL 7 4.334 1.346 1.346
67 1HG2 VAL 7 HG23 VAL 7 6.042 4.105 4.105
68 2HG2 VAL 7 HG21 VAL 7 6.735 3.393 3.393
69 3HG2 VAL 7 HG22 VAL 7 6.018 2.356 2.356
70 H GLU 8 HN GLU 8 2.977 5.479 5.479
71 HA GLU 8 HA GLU 8 0.480 4.145 4.145
72 1HB GLU 8 HB1 GLU 8 1.552 5.242 5.242
73 2HB GLU 8 HB2 GLU 8 1.419 6.812 6.812
74 1HG GLU 8 HG1 GLU 8 -0.984 6.765 6.765
75 2HG GLU 8 HG2 GLU 8 -0.975 5.080 5.080
76 H GLN 9 HN GLN 9 1.110 7.509 7.509
77 HA GLN 9 HA GLN 9 -1.560 8.122 8.122
78 1HB GLN 9 HB1 GLN 9 1.006 9.114 9.114
79 2HB GLN 9 HB2 GLN 9 -0.578 9.874 9.874
80 1HG GLN 9 HG1 GLN 9 -0.036 9.442 9.442
81 2HG GLN 9 HG2 GLN 9 1.347 10.262 10.262
82 1HE2 GLN 9 HE22 GLN 9 -0.904 13.017 13.017
83 2HE2 GLN 9 HE21 GLN 9 0.171 11.949 11.949
84 H GLU 10 HN GLU 10 0.983 6.432 6.432
85 HA GLU 10 HA GLU 10 -0.204 6.392 6.392
86 1HB GLU 10 HB1 GLU 10 2.071 5.571 5.571
87 2HB GLU 10 HB2 GLU 10 1.449 4.254 4.254
88 1HG GLU 10 HG1 GLU 10 1.787 3.264 3.264
89 2HG GLU 10 HG2 GLU 10 0.056 3.602 3.602
90 H LEU 11 HN LEU 11 -0.429 3.860 3.860
91 HA LEU 11 HA LEU 11 -2.486 2.397 2.397
92 1HB LEU 11 HB1 LEU 11 -1.916 2.460 2.460
93 2HB LEU 11 HB2 LEU 11 -2.733 1.176 1.176
94 HG LEU 11 HG LEU 11 -0.081 1.896 1.896
95 1HD1 LEU 11 HD13 LEU 11 0.197 2.142 2.142
96 2HD1 LEU 11 HD11 LEU 11 -0.243 0.440 0.440
97 3HD1 LEU 11 HD12 LEU 11 1.212 0.905 0.905
98 1HD2 LEU 11 HD21 LEU 11 -1.876 -0.391 -0.391
99 2HD2 LEU 11 HD22 LEU 11 -0.598 -0.110 -0.110
100 3HD2 LEU 11 HD23 LEU 11 -0.209 -0.816 -0.816
101 H GLN 12 HN GLN 12 -2.559 5.377 5.377
102 HA GLN 12 HA GLN 12 -5.141 5.298 5.298
103 1HB GLN 12 HB1 GLN 12 -3.337 7.101 7.101
104 2HB GLN 12 HB2 GLN 12 -3.908 7.734 7.734
105 1HG GLN 12 HG1 GLN 12 -5.985 8.347 8.347
106 2HG GLN 12 HG2 GLN 12 -5.886 7.181 7.181
107 1HE2 GLN 12 HE22 GLN 12 -4.868 10.898 10.898
108 2HE2 GLN 12 HE21 GLN 12 -5.944 10.402 10.402
109 H ALA 13 HN ALA 13 -4.102 5.850 5.850
110 HA ALA 13 HA ALA 13 -6.572 6.880 6.880
111 1HB ALA 13 HB2 ALA 13 -4.082 6.414 6.414
112 2HB ALA 13 HB3 ALA 13 -5.034 5.148 5.148
113 3HB ALA 13 HB1 ALA 13 -5.502 6.839 6.839
114 H LEU 14 HN LEU 14 -5.324 3.546 3.546
115 HA LEU 14 HA LEU 14 -7.609 2.323 2.323
116 1HB LEU 14 HB1 LEU 14 -5.158 1.463 1.463
117 2HB LEU 14 HB2 LEU 14 -6.504 0.493 0.493
118 HG LEU 14 HG LEU 14 -7.026 0.689 0.689
119 1HD1 LEU 14 HD13 LEU 14 -4.224 1.209 1.209
120 2HD1 LEU 14 HD11 LEU 14 -4.413 -0.333 -0.333
121 3HD1 LEU 14 HD12 LEU 14 -5.103 1.134 1.134
122 1HD2 LEU 14 HD22 LEU 14 -6.303 -1.300 -1.300
123 2HD2 LEU 14 HD23 LEU 14 -7.263 -1.499 -1.499
124 3HD2 LEU 14 HD21 LEU 14 -5.509 -1.673 -1.673
125 H GLU 15 HN GLU 15 -7.006 3.521 3.521
126 HA GLU 15 HA GLU 15 -9.493 2.192 2.192
127 1HB GLU 15 HB1 GLU 15 -6.983 3.092 3.092
128 2HB GLU 15 HB2 GLU 15 -8.444 3.464 3.464
129 1HG GLU 15 HG1 GLU 15 -7.914 1.304 1.304
130 2HG GLU 15 HG2 GLU 15 -9.091 0.982 0.982
131 H ALA 16 HN ALA 16 -8.697 4.961 4.961
132 HA ALA 16 HA ALA 16 -10.154 6.850 6.850
133 1HB ALA 16 HB2 ALA 16 -8.313 7.030 7.030
134 2HB ALA 16 HB3 ALA 16 -9.799 7.839 7.839
135 3HB ALA 16 HB1 ALA 16 -8.970 8.344 8.344
136 H ARG 17 HN ARG 17 -10.862 4.669 4.669
137 HA ARG 17 HA ARG 17 -13.666 5.685 5.685
138 1HB ARG 17 HB1 ARG 17 -11.929 6.062 6.062
139 2HB ARG 17 HB2 ARG 17 -12.810 4.602 4.602
140 1HG ARG 17 HG1 ARG 17 -14.937 5.732 5.732
141 2HG ARG 17 HG2 ARG 17 -14.139 7.158 7.158
142 1HD ARG 17 HD1 ARG 17 -13.602 6.095 6.095
143 2HD ARG 17 HD2 ARG 17 -14.796 7.347 7.347
144 HE ARG 17 HE ARG 17 -11.883 7.684 7.684
145 1HH1 ARG 17 HH11 ARG 17 -14.374 8.609 8.609
146 2HH1 ARG 17 HH12 ARG 17 -14.129 10.315 10.315
147 1HH2 ARG 17 HH21 ARG 17 -11.814 9.978 9.978
148 2HH2 ARG 17 HH22 ARG 17 -12.680 11.089 11.089
149 H GLY 18 HN GLY 18 -12.226 3.359 3.359
150 1HA GLY 18 HA1 GLY 18 -12.620 1.072 1.072
151 2HA GLY 18 HA2 GLY 18 -14.220 1.379 1.379
152 H THR 19 HN THR 19 -14.652 0.283 0.283
153 HA THR 19 HA THR 19 -14.296 -0.678 -0.678
154 HB THR 19 HB THR 19 -11.362 -0.059 -0.059
155 HG1 THR 19 HG1 THR 19 -13.488 1.776 1.776
156 1HG2 THR 19 HG22 THR 19 -13.510 -0.212 -0.212
157 2HG2 THR 19 HG23 THR 19 -11.961 0.569 0.569
158 3HG2 THR 19 HG21 THR 19 -12.014 -1.139 -1.139
159 H ASP 20 HN ASP 20 -14.392 -2.310 -2.310
160 HA ASP 20 HA ASP 20 -13.662 -4.370 -4.370
161 1HB ASP 20 HB1 ASP 20 -13.635 -4.452 -4.452
162 2HB ASP 20 HB2 ASP 20 -12.259 -5.385 -5.385
163 H SER 21 HN SER 21 -11.947 -2.401 -2.401
164 HA SER 21 HA SER 21 -9.253 -3.555 -3.555
165 1HB SER 21 HB1 SER 21 -8.405 -1.303 -1.303
166 2HB SER 21 HB2 SER 21 -9.325 -1.260 -1.260
167 HG SER 21 HG SER 21 -9.815 0.100 0.100
168 H ASN 22 HN ASN 22 -11.711 -3.483 -3.483
169 HA ASN 22 HA ASN 22 -9.996 -3.256 -3.256
170 1HB ASN 22 HB1 ASN 22 -12.090 -3.601 -3.601
171 2HB ASN 22 HB2 ASN 22 -12.276 -2.318 -2.318
172 1HD2 ASN 22 HD22 ASN 22 -14.647 -4.118 -4.118
173 2HD2 ASN 22 HD21 ASN 22 -13.636 -2.756 -2.756
174 H ALA 23 HN ALA 23 -10.025 -5.492 -5.492
175 HA ALA 23 HA ALA 23 -10.251 -7.761 -7.761
176 1HB ALA 23 HB2 ALA 23 -10.787 -7.565 -7.565
177 2HB ALA 23 HB3 ALA 23 -10.356 -9.117 -9.117
178 3HB ALA 23 HB1 ALA 23 -11.799 -8.263 -8.263
179 H GLU 24 HN GLU 24 -8.378 -6.504 -6.504
180 HA GLU 24 HA GLU 24 -6.227 -8.410 -8.410
181 1HB GLU 24 HB1 GLU 24 -6.255 -5.876 -5.876
182 2HB GLU 24 HB2 GLU 24 -5.073 -7.181 -7.181
183 1HG GLU 24 HG1 GLU 24 -6.825 -8.742 -8.742
184 2HG GLU 24 HG2 GLU 24 -8.050 -7.488 -7.488
185 H LEU 25 HN LEU 25 -7.181 -5.624 -5.624
186 HA LEU 25 HA LEU 25 -4.807 -4.196 -4.196
187 1HB LEU 25 HB1 LEU 25 -7.405 -4.477 -4.477
188 2HB LEU 25 HB2 LEU 25 -6.126 -4.278 -4.278
189 HG LEU 25 HG LEU 25 -6.232 -2.507 -2.507
190 1HD1 LEU 25 HD11 LEU 25 -8.458 -2.482 -2.482
191 2HD1 LEU 25 HD12 LEU 25 -7.587 -1.891 -1.891
192 3HD1 LEU 25 HD13 LEU 25 -7.625 -0.929 -0.929
193 1HD2 LEU 25 HD23 LEU 25 -5.098 -2.306 -2.306
194 2HD2 LEU 25 HD21 LEU 25 -4.201 -2.379 -2.379
195 3HD2 LEU 25 HD22 LEU 25 -5.147 -0.944 -0.944
196 H ARG 26 HN ARG 26 -5.861 -7.299 -7.299
197 HA ARG 26 HA ARG 26 -3.836 -7.438 -7.438
198 1HB ARG 26 HB1 ARG 26 -5.840 -9.272 -9.272
199 2HB ARG 26 HB2 ARG 26 -4.419 -10.042 -10.042
200 1HG ARG 26 HG1 ARG 26 -5.348 -9.764 -9.764
201 2HG ARG 26 HG2 ARG 26 -5.205 -8.019 -8.019
202 1HD ARG 26 HD1 ARG 26 -7.512 -9.591 -9.591
203 2HD ARG 26 HD2 ARG 26 -7.560 -8.943 -8.943
204 HE ARG 26 HE ARG 26 -7.523 -7.332 -7.332
205 1HH1 ARG 26 HH11 ARG 26 -6.958 -7.387 -7.387
206 2HH1 ARG 26 HH12 ARG 26 -7.686 -5.844 -5.844
207 1HH2 ARG 26 HH21 ARG 26 -8.725 -5.413 -5.413
208 2HH2 ARG 26 HH22 ARG 26 -8.687 -4.725 -4.725
209 H ALA 27 HN ALA 27 -4.107 -8.804 -8.804
210 HA ALA 27 HA ALA 27 -1.521 -10.050 -10.050
211 1HB ALA 27 HB2 ALA 27 -3.683 -9.661 -9.661
212 2HB ALA 27 HB3 ALA 27 -2.097 -9.517 -9.517
213 3HB ALA 27 HB1 ALA 27 -2.524 -10.984 -10.984
214 H MET 28 HN MET 28 -2.516 -6.795 -6.795
215 HA MET 28 HA MET 28 -0.378 -5.845 -5.845
216 1HB MET 28 HB1 MET 28 -2.452 -4.546 -4.546
217 2HB MET 28 HB2 MET 28 -1.952 -4.343 -4.343
218 1HG MET 28 HG1 MET 28 -1.253 -2.355 -2.355
219 2HG MET 28 HG2 MET 28 0.209 -3.324 -3.324
220 1HE MET 28 HE2 MET 28 1.750 -3.338 -3.338
221 2HE MET 28 HE3 MET 28 1.658 -3.023 -3.023
222 3HE MET 28 HE1 MET 28 1.311 -1.731 -1.731
223 H GLU 29 HN GLU 29 -0.725 -6.307 -6.307
224 HA GLU 29 HA GLU 29 1.519 -4.925 -4.925
225 1HB GLU 29 HB1 GLU 29 1.520 -6.399 -6.399
226 2HB GLU 29 HB2 GLU 29 -0.161 -6.294 -6.294
227 1HG GLU 29 HG1 GLU 29 0.211 -8.392 -8.392
228 2HG GLU 29 HG2 GLU 29 1.806 -8.521 -8.521
229 H ALA 30 HN ALA 30 1.402 -8.168 -8.168
230 HA ALA 30 HA ALA 30 4.184 -8.732 -8.732
231 1HB ALA 30 HB1 ALA 30 2.431 -10.419 -10.419
232 2HB ALA 30 HB2 ALA 30 2.298 -9.684 -9.684
233 3HB ALA 30 HB3 ALA 30 3.805 -10.456 -10.456
234 H LYS 31 HN LYS 31 2.324 -7.380 -7.380
235 HA LYS 31 HA LYS 31 4.483 -7.011 -7.011
236 1HB LYS 31 HB1 LYS 31 1.952 -5.392 -5.392
237 2HB LYS 31 HB2 LYS 31 3.067 -5.150 -5.150
238 1HG LYS 31 HG1 LYS 31 2.687 -7.369 -7.369
239 2HG LYS 31 HG2 LYS 31 1.848 -7.844 -7.844
240 1HD LYS 31 HD1 LYS 31 -0.043 -6.500 -6.500
241 2HD LYS 31 HD2 LYS 31 0.837 -5.603 -5.603
242 1HE LYS 31 HE1 LYS 31 0.254 -7.115 -7.115
243 2HE LYS 31 HE2 LYS 31 0.915 -8.429 -8.429
244 1HZ LYS 31 HZ2 LYS 31 -1.483 -7.535 -7.535
245 2HZ LYS 31 HZ3 LYS 31 -1.762 -7.844 -7.844
246 3HZ LYS 31 HZ1 LYS 31 -1.127 -9.063 -9.063
247 H LEU 32 HN LEU 32 3.605 -5.222 -5.222
248 HA LEU 32 HA LEU 32 4.939 -2.774 -2.774
249 1HB LEU 32 HB1 LEU 32 3.477 -3.400 -3.400
250 2HB LEU 32 HB2 LEU 32 4.925 -4.150 -4.150
251 HG LEU 32 HG LEU 32 5.889 -1.706 -1.706
252 1HD1 LEU 32 HD12 LEU 32 3.425 -1.129 -1.129
253 2HD1 LEU 32 HD13 LEU 32 3.199 -1.126 -1.126
254 3HD1 LEU 32 HD11 LEU 32 4.327 0.007 0.007
255 1HD2 LEU 32 HD22 LEU 32 4.640 -2.502 -2.502
256 2HD2 LEU 32 HD23 LEU 32 6.317 -2.750 -2.750
257 3HD2 LEU 32 HD21 LEU 32 5.709 -1.116 -1.116
258 H LYS 33 HN LYS 33 6.243 -5.484 -5.484
259 HA LYS 33 HA LYS 33 8.925 -4.551 -4.551
260 1HB LYS 33 HB1 LYS 33 7.511 -6.950 -6.950
261 2HB LYS 33 HB2 LYS 33 9.076 -7.346 -7.346
262 1HG LYS 33 HG1 LYS 33 9.472 -5.068 -5.068
263 2HG LYS 33 HG2 LYS 33 8.509 -6.212 -6.212
264 1HD LYS 33 HD1 LYS 33 10.632 -7.011 -7.011
265 2HD LYS 33 HD2 LYS 33 10.276 -7.948 -7.948
266 1HE LYS 33 HE1 LYS 33 12.448 -7.022 -7.022
267 2HE LYS 33 HE2 LYS 33 11.354 -6.028 -6.028
268 1HZ LYS 33 HZ3 LYS 33 12.172 -5.345 -5.345
269 2HZ LYS 33 HZ1 LYS 33 12.979 -4.771 -4.771
270 3HZ LYS 33 HZ2 LYS 33 11.353 -4.356 -4.356
271 H ALA 34 HN ALA 34 7.222 -6.808 -6.808
272 HA ALA 34 HA ALA 34 9.408 -7.624 -7.624
273 1HB ALA 34 HB2 ALA 34 6.478 -7.408 -7.408
274 2HB ALA 34 HB3 ALA 34 7.432 -7.440 -7.440
275 3HB ALA 34 HB1 ALA 34 7.559 -8.764 -8.764
276 H GLU 35 HN GLU 35 7.794 -4.544 -4.544
277 HA GLU 35 HA GLU 35 8.815 -3.577 -3.577
278 1HB GLU 35 HB1 GLU 35 6.787 -2.736 -2.736
279 2HB GLU 35 HB2 GLU 35 8.046 -1.678 -1.678
280 1HG GLU 35 HG1 GLU 35 8.084 -0.427 -0.427
281 2HG GLU 35 HG2 GLU 35 8.084 -1.853 -1.853
282 H ILE 36 HN ILE 36 9.535 -2.602 -2.602
283 HA ILE 36 HA ILE 36 11.770 -1.028 -1.028
284 HB ILE 36 HB ILE 36 11.719 -3.127 -3.127
285 1HG1 ILE 36 HG11 ILE 36 9.521 -2.220 -2.220
286 2HG1 ILE 36 HG12 ILE 36 10.445 -1.255 -1.255
287 1HG2 ILE 36 HG23 ILE 36 12.805 -0.299 -0.299
288 2HG2 ILE 36 HG21 ILE 36 12.707 -1.153 -1.153
289 3HG2 ILE 36 HG22 ILE 36 13.729 -1.781 -1.781
290 1HD1 ILE 36 HD13 ILE 36 10.833 0.139 0.139
291 2HD1 ILE 36 HD11 ILE 36 9.185 -0.455 -0.455
292 3HD1 ILE 36 HD12 ILE 36 9.600 0.523 0.523
293 H GLN 37 HN GLN 37 11.553 -4.533 -4.533
294 HA GLN 37 HA GLN 37 14.286 -5.213 -5.213
295 1HB GLN 37 HB1 GLN 37 12.552 -6.925 -6.925
296 2HB GLN 37 HB2 GLN 37 12.006 -6.373 -6.373
297 1HG GLN 37 HG1 GLN 37 13.937 -7.177 -7.177
298 2HG GLN 37 HG2 GLN 37 14.865 -7.225 -7.225
299 1HE2 GLN 37 HE22 GLN 37 14.152 -10.728 -10.728
300 2HE2 GLN 37 HE21 GLN 37 15.332 -9.549 -9.549
301 H LYS 38 HN LYS 38 12.372 -4.964 -4.964
302 HA LYS 38 HA LYS 38 14.735 -4.434 -4.434
303 1HB LYS 38 HB1 LYS 38 11.814 -4.644 -4.644
304 2HB LYS 38 HB2 LYS 38 12.748 -3.696 -3.696
305 1HG LYS 38 HG1 LYS 38 14.139 -6.149 -6.149
306 2HG LYS 38 HG2 LYS 38 12.515 -6.498 -6.498
307 1HD LYS 38 HD1 LYS 38 14.554 -4.732 -4.732
308 2HD LYS 38 HD2 LYS 38 14.159 -6.388 -6.388
309 1HE LYS 38 HE1 LYS 38 11.771 -4.732 -4.732
310 2HE LYS 38 HE2 LYS 38 12.893 -4.076 -4.076
311 1HZ LYS 38 HZ3 LYS 38 12.931 -6.725 -6.725
312 2HZ LYS 38 HZ1 LYS 38 11.309 -6.475 -6.475
313 3HZ LYS 38 HZ2 LYS 38 12.001 -5.576 -5.576
314 1HN NH2 39 1HN NH2 39 15.529 -2.240 -2.240
315 2HN NH2 39 2HN NH2 39 14.264 -1.216 -1.216
Start of MODEL 10
1 1H2 SIN 0 1H2 SIN 0 -16.842 0.088 0.088
2 2H2 SIN 0 2H2 SIN 0 -16.354 -1.391 -1.391
3 1H3 SIN 0 1H3 SIN 0 -14.283 -0.585 -0.585
4 2H3 SIN 0 2H3 SIN 0 -14.920 0.941 0.941
5 H ASP 1 HN ASP 1 -14.478 2.692 2.692
6 HA ASP 1 HA ASP 1 -12.751 2.079 2.079
7 1HB ASP 1 HB1 ASP 1 -14.873 2.567 2.567
8 2HB ASP 1 HB2 ASP 1 -14.961 4.125 4.125
9 H TRP 2 HN TRP 2 -14.137 4.527 4.527
10 HA TRP 2 HA TRP 2 -12.197 6.533 6.533
11 1HB TRP 2 HB1 TRP 2 -12.915 7.408 7.408
12 2HB TRP 2 HB2 TRP 2 -14.338 6.708 6.708
13 HD1 TRP 2 HD1 TRP 2 -14.963 4.174 4.174
14 HE1 TRP 2 HE1 TRP 2 -14.727 3.025 3.025
15 HE3 TRP 2 HE3 TRP 2 -11.578 7.296 7.296
16 HZ2 TRP 2 HZ2 TRP 2 -13.263 3.397 3.397
17 HZ3 TRP 2 HZ3 TRP 2 -10.773 6.885 6.885
18 HH2 TRP 2 HH2 TRP 2 -11.612 4.939 4.939
19 H LEU 3 HN LEU 3 -12.203 3.635 3.635
20 HA LEU 3 HA LEU 3 -9.945 4.146 4.146
21 1HB LEU 3 HB1 LEU 3 -11.418 1.749 1.749
22 2HB LEU 3 HB2 LEU 3 -9.744 1.459 1.459
23 HG LEU 3 HG LEU 3 -11.167 3.275 3.275
24 1HD1 LEU 3 HD13 LEU 3 -12.764 1.254 1.254
25 2HD1 LEU 3 HD11 LEU 3 -12.025 0.493 0.493
26 3HD1 LEU 3 HD12 LEU 3 -12.931 1.995 1.995
27 1HD2 LEU 3 HD22 LEU 3 -8.991 1.512 1.512
28 2HD2 LEU 3 HD23 LEU 3 -9.638 2.394 2.394
29 3HD2 LEU 3 HD21 LEU 3 -10.188 0.752 0.752
30 H LYS 4 HN LYS 4 -10.113 3.275 3.275
31 HA LYS 4 HA LYS 4 -7.416 2.341 2.341
32 1HB LYS 4 HB1 LYS 4 -9.138 3.792 3.792
33 2HB LYS 4 HB2 LYS 4 -7.700 2.834 2.834
34 1HG LYS 4 HG1 LYS 4 -9.133 1.033 1.033
35 2HG LYS 4 HG2 LYS 4 -10.445 1.950 1.950
36 1HD LYS 4 HD1 LYS 4 -9.281 1.636 1.636
37 2HD LYS 4 HD2 LYS 4 -8.165 0.538 0.538
38 1HE LYS 4 HE1 LYS 4 -9.726 -1.016 -1.016
39 2HE LYS 4 HE2 LYS 4 -10.499 -0.511 -0.511
40 1HZ LYS 4 HZ2 LYS 4 -11.363 1.339 1.339
41 2HZ LYS 4 HZ3 LYS 4 -11.309 -0.058 -0.058
42 3HZ LYS 4 HZ1 LYS 4 -12.233 -0.047 -0.047
43 H ALA 5 HN ALA 5 -8.864 5.552 5.552
44 HA ALA 5 HA ALA 5 -6.379 6.896 6.896
45 1HB ALA 5 HB2 ALA 5 -8.985 7.931 7.931
46 2HB ALA 5 HB3 ALA 5 -7.651 8.961 8.961
47 3HB ALA 5 HB1 ALA 5 -8.505 7.963 7.963
48 H ARG 6 HN ARG 6 -8.284 6.543 6.543
49 HA ARG 6 HA ARG 6 -6.316 7.865 7.865
50 1HB ARG 6 HB1 ARG 6 -7.686 7.277 7.277
51 2HB ARG 6 HB2 ARG 6 -8.804 7.548 7.548
52 1HG ARG 6 HG1 ARG 6 -9.623 5.502 5.502
53 2HG ARG 6 HG2 ARG 6 -8.230 4.890 4.890
54 1HD ARG 6 HD1 ARG 6 -8.418 3.902 3.902
55 2HD ARG 6 HD2 ARG 6 -6.915 4.796 4.796
56 HE ARG 6 HE ARG 6 -8.980 6.493 6.493
57 1HH1 ARG 6 HH21 ARG 6 -5.922 5.809 5.809
58 2HH1 ARG 6 HH22 ARG 6 -6.078 5.458 5.458
59 1HH2 ARG 6 HH11 ARG 6 -9.540 5.263 5.263
60 2HH2 ARG 6 HH12 ARG 6 -8.128 5.148 5.148
61 H VAL 7 HN VAL 7 -6.345 4.804 4.804
62 HA VAL 7 HA VAL 7 -4.760 3.538 3.538
63 HB VAL 7 HB VAL 7 -5.910 2.591 2.591
64 1HG1 VAL 7 HG12 VAL 7 -3.816 1.223 1.223
65 2HG1 VAL 7 HG13 VAL 7 -4.821 0.366 0.366
66 3HG1 VAL 7 HG11 VAL 7 -3.704 1.617 1.617
67 1HG2 VAL 7 HG22 VAL 7 -6.808 2.583 2.583
68 2HG2 VAL 7 HG23 VAL 7 -7.421 1.555 1.555
69 3HG2 VAL 7 HG21 VAL 7 -6.166 0.954 0.954
70 H GLU 8 HN GLU 8 -4.323 4.170 4.170
71 HA GLU 8 HA GLU 8 -1.621 3.571 3.571
72 1HB GLU 8 HB1 GLU 8 -1.541 5.210 5.210
73 2HB GLU 8 HB2 GLU 8 -3.068 4.328 4.328
74 1HG GLU 8 HG1 GLU 8 -4.053 6.244 6.244
75 2HG GLU 8 HG2 GLU 8 -2.570 7.132 7.132
76 H GLN 9 HN GLN 9 -3.037 6.593 6.593
77 HA GLN 9 HA GLN 9 -0.579 7.988 7.988
78 1HB GLN 9 HB1 GLN 9 -2.669 9.196 9.196
79 2HB GLN 9 HB2 GLN 9 -3.230 8.204 8.204
80 1HG GLN 9 HG1 GLN 9 -2.276 9.657 9.657
81 2HG GLN 9 HG2 GLN 9 -0.699 9.277 9.277
82 1HE2 GLN 9 HE22 GLN 9 -0.682 12.756 12.756
83 2HE2 GLN 9 HE21 GLN 9 -0.093 11.593 11.593
84 H GLU 10 HN GLU 10 -2.497 6.042 6.042
85 HA GLU 10 HA GLU 10 -0.813 6.312 6.312
86 1HB GLU 10 HB1 GLU 10 -2.972 4.582 4.582
87 2HB GLU 10 HB2 GLU 10 -1.728 3.635 3.635
88 1HG GLU 10 HG1 GLU 10 -2.379 6.232 6.232
89 2HG GLU 10 HG2 GLU 10 -3.671 5.031 5.031
90 H LEU 11 HN LEU 11 -0.514 4.144 4.144
91 HA LEU 11 HA LEU 11 1.695 2.651 2.651
92 1HB LEU 11 HB1 LEU 11 0.732 2.987 2.987
93 2HB LEU 11 HB2 LEU 11 1.981 1.847 1.847
94 HG LEU 11 HG LEU 11 -0.713 1.857 1.857
95 1HD1 LEU 11 HD11 LEU 11 0.038 0.371 0.371
96 2HD1 LEU 11 HD12 LEU 11 -1.443 0.127 0.127
97 3HD1 LEU 11 HD13 LEU 11 -1.152 1.668 1.668
98 1HD2 LEU 11 HD22 LEU 11 1.711 0.167 0.167
99 2HD2 LEU 11 HD23 LEU 11 0.521 0.341 0.341
100 3HD2 LEU 11 HD21 LEU 11 0.189 -0.722 -0.722
101 H GLN 12 HN GLN 12 1.412 5.552 5.552
102 HA GLN 12 HA GLN 12 4.156 5.709 5.709
103 1HB GLN 12 HB1 GLN 12 1.888 7.185 7.185
104 2HB GLN 12 HB2 GLN 12 2.831 8.288 8.288
105 1HG GLN 12 HG1 GLN 12 4.585 7.019 7.019
106 2HG GLN 12 HG2 GLN 12 3.202 7.685 7.685
107 1HE2 GLN 12 HE22 GLN 12 3.958 11.086 11.086
108 2HE2 GLN 12 HE21 GLN 12 2.647 10.057 10.057
109 H ALA 13 HN ALA 13 2.507 6.615 6.615
110 HA ALA 13 HA ALA 13 4.507 8.333 8.333
111 1HB ALA 13 HB2 ALA 13 2.120 7.811 7.811
112 2HB ALA 13 HB3 ALA 13 2.872 6.437 6.437
113 3HB ALA 13 HB1 ALA 13 3.390 8.079 8.079
114 H LEU 14 HN LEU 14 3.978 4.846 4.846
115 HA LEU 14 HA LEU 14 6.528 4.592 4.592
116 1HB LEU 14 HB1 LEU 14 4.625 2.508 2.508
117 2HB LEU 14 HB2 LEU 14 6.038 2.138 2.138
118 HG LEU 14 HG LEU 14 4.654 4.166 4.166
119 1HD1 LEU 14 HD13 LEU 14 2.856 2.322 2.322
120 2HD1 LEU 14 HD11 LEU 14 2.478 2.572 2.572
121 3HD1 LEU 14 HD12 LEU 14 2.547 3.950 3.950
122 1HD2 LEU 14 HD21 LEU 14 5.243 1.260 1.260
123 2HD2 LEU 14 HD22 LEU 14 5.654 2.607 2.607
124 3HD2 LEU 14 HD23 LEU 14 4.021 1.942 1.942
125 H GLU 15 HN GLU 15 5.644 4.747 4.747
126 HA GLU 15 HA GLU 15 7.963 3.129 3.129
127 1HB GLU 15 HB1 GLU 15 5.721 4.513 4.513
128 2HB GLU 15 HB2 GLU 15 7.071 3.716 3.716
129 1HG GLU 15 HG1 GLU 15 5.755 2.103 2.103
130 2HG GLU 15 HG2 GLU 15 4.742 2.461 2.461
131 H ALA 16 HN ALA 16 7.211 6.346 6.346
132 HA ALA 16 HA ALA 16 8.692 7.861 7.861
133 1HB ALA 16 HB1 ALA 16 7.293 8.579 8.579
134 2HB ALA 16 HB2 ALA 16 8.857 8.508 8.508
135 3HB ALA 16 HB3 ALA 16 8.623 9.594 9.594
136 H ARG 17 HN ARG 17 9.835 6.254 6.254
137 HA ARG 17 HA ARG 17 12.485 5.909 5.909
138 1HB ARG 17 HB1 ARG 17 12.196 8.258 8.258
139 2HB ARG 17 HB2 ARG 17 12.567 7.241 7.241
140 1HG ARG 17 HG1 ARG 17 14.450 6.355 6.355
141 2HG ARG 17 HG2 ARG 17 14.286 8.020 8.020
142 1HD ARG 17 HD1 ARG 17 14.558 8.753 8.753
143 2HD ARG 17 HD2 ARG 17 14.965 7.082 7.082
144 HE ARG 17 HE ARG 17 16.555 8.429 8.429
145 1HH1 ARG 17 HH21 ARG 17 16.914 5.861 5.861
146 2HH1 ARG 17 HH22 ARG 17 18.302 6.382 6.382
147 1HH2 ARG 17 HH11 ARG 17 18.058 9.682 9.682
148 2HH2 ARG 17 HH12 ARG 17 18.951 8.545 8.545
149 H GLY 18 HN GLY 18 11.202 3.763 3.763
150 1HA GLY 18 HA1 GLY 18 11.409 2.890 2.890
151 2HA GLY 18 HA2 GLY 18 10.698 1.961 1.961
152 H THR 19 HN THR 19 13.899 3.513 3.513
153 HA THR 19 HA THR 19 16.008 2.575 2.575
154 HB THR 19 HB THR 19 16.560 0.632 0.632
155 HG1 THR 19 HG1 THR 19 14.846 -0.620 -0.620
156 1HG2 THR 19 HG23 THR 19 15.539 3.187 3.187
157 2HG2 THR 19 HG21 THR 19 15.126 1.978 1.978
158 3HG2 THR 19 HG22 THR 19 16.809 2.215 2.215
159 H ASP 20 HN ASP 20 15.214 2.194 2.194
160 HA ASP 20 HA ASP 20 15.354 0.756 0.756
161 1HB ASP 20 HB1 ASP 20 16.819 -0.592 -0.592
162 2HB ASP 20 HB2 ASP 20 15.456 -1.704 -1.704
163 H SER 21 HN SER 21 12.891 1.594 1.594
164 HA SER 21 HA SER 21 11.151 -0.764 -0.764
165 1HB SER 21 HB1 SER 21 10.954 2.016 2.016
166 2HB SER 21 HB2 SER 21 9.619 1.593 1.593
167 HG SER 21 HG SER 21 10.364 0.266 0.266
168 H ASN 22 HN ASN 22 12.767 0.054 0.054
169 HA ASN 22 HA ASN 22 10.581 0.548 0.548
170 1HB ASN 22 HB1 ASN 22 13.017 1.549 1.549
171 2HB ASN 22 HB2 ASN 22 13.425 0.003 0.003
172 1HD2 ASN 22 HD22 ASN 22 12.124 2.694 2.694
173 2HD2 ASN 22 HD21 ASN 22 13.118 2.904 2.904
174 H ALA 23 HN ALA 23 10.923 -2.014 -2.014
175 HA ALA 23 HA ALA 23 11.026 -3.843 -3.843
176 1HB ALA 23 HB3 ALA 23 12.402 -3.963 -3.963
177 2HB ALA 23 HB1 ALA 23 11.608 -5.464 -5.464
178 3HB ALA 23 HB2 ALA 23 12.821 -4.736 -4.736
179 H GLU 24 HN GLU 24 9.731 -3.371 -3.371
180 HA GLU 24 HA GLU 24 7.800 -5.449 -5.449
181 1HB GLU 24 HB1 GLU 24 8.137 -2.922 -2.922
182 2HB GLU 24 HB2 GLU 24 6.557 -3.702 -3.702
183 1HG GLU 24 HG1 GLU 24 8.523 -5.743 -5.743
184 2HG GLU 24 HG2 GLU 24 8.955 -4.439 -4.439
185 H LEU 25 HN LEU 25 7.966 -2.506 -2.506
186 HA LEU 25 HA LEU 25 5.355 -1.650 -1.650
187 1HB LEU 25 HB1 LEU 25 7.514 -2.035 -2.035
188 2HB LEU 25 HB2 LEU 25 6.000 -1.186 -1.186
189 HG LEU 25 HG LEU 25 7.690 -0.410 -0.410
190 1HD1 LEU 25 HD13 LEU 25 8.216 0.123 0.123
191 2HD1 LEU 25 HD11 LEU 25 8.527 1.410 1.410
192 3HD1 LEU 25 HD12 LEU 25 9.363 -0.136 -0.136
193 1HD2 LEU 25 HD21 LEU 25 5.750 1.024 1.024
194 2HD2 LEU 25 HD22 LEU 25 5.461 0.552 0.552
195 3HD2 LEU 25 HD23 LEU 25 6.642 1.808 1.808
196 H ARG 26 HN ARG 26 6.785 -4.653 -4.653
197 HA ARG 26 HA ARG 26 4.636 -5.353 -5.353
198 1HB ARG 26 HB1 ARG 26 6.717 -7.034 -7.034
199 2HB ARG 26 HB2 ARG 26 5.585 -7.680 -7.680
200 1HG ARG 26 HG1 ARG 26 7.585 -5.450 -5.450
201 2HG ARG 26 HG2 ARG 26 7.741 -7.112 -7.112
202 1HD ARG 26 HD1 ARG 26 6.767 -6.208 -6.208
203 2HD ARG 26 HD2 ARG 26 5.294 -6.561 -6.561
204 HE ARG 26 HE ARG 26 4.934 -4.242 -4.242
205 1HH1 ARG 26 HH21 ARG 26 8.287 -4.939 -4.939
206 2HH1 ARG 26 HH22 ARG 26 8.790 -3.309 -3.309
207 1HH2 ARG 26 HH11 ARG 26 5.572 -2.136 -2.136
208 2HH2 ARG 26 HH12 ARG 26 7.252 -1.722 -1.722
209 H ALA 27 HN ALA 27 5.393 -6.308 -6.308
210 HA ALA 27 HA ALA 27 3.115 -7.959 -7.959
211 1HB ALA 27 HB2 ALA 27 4.670 -6.286 -6.286
212 2HB ALA 27 HB3 ALA 27 3.492 -7.524 -7.524
213 3HB ALA 27 HB1 ALA 27 4.970 -7.975 -7.975
214 H MET 28 HN MET 28 3.329 -4.580 -4.580
215 HA MET 28 HA MET 28 1.176 -3.691 -3.691
216 1HB MET 28 HB1 MET 28 2.874 -2.264 -2.264
217 2HB MET 28 HB2 MET 28 1.870 -2.534 -2.534
218 1HG MET 28 HG1 MET 28 -0.062 -1.554 -1.554
219 2HG MET 28 HG2 MET 28 0.897 -1.344 -1.344
220 1HE MET 28 HE3 MET 28 -0.575 -0.123 -0.123
221 2HE MET 28 HE1 MET 28 0.115 1.458 1.458
222 3HE MET 28 HE2 MET 28 0.747 0.001 0.001
223 H GLU 29 HN GLU 29 1.234 -4.953 -4.953
224 HA GLU 29 HA GLU 29 -1.474 -4.475 -4.475
225 1HB GLU 29 HB1 GLU 29 0.705 -5.963 -5.963
226 2HB GLU 29 HB2 GLU 29 -0.697 -7.032 -7.032
227 1HG GLU 29 HG1 GLU 29 -1.807 -5.837 -5.837
228 2HG GLU 29 HG2 GLU 29 -1.286 -4.290 -4.290
229 H ALA 30 HN ALA 30 -0.033 -7.338 -7.338
230 HA ALA 30 HA ALA 30 -2.514 -8.721 -8.721
231 1HB ALA 30 HB1 ALA 30 0.239 -9.128 -9.128
232 2HB ALA 30 HB2 ALA 30 -0.729 -9.421 -9.421
233 3HB ALA 30 HB3 ALA 30 -1.062 -10.317 -10.317
234 H LYS 31 HN LYS 31 -0.768 -6.414 -6.414
235 HA LYS 31 HA LYS 31 -2.384 -6.729 -6.729
236 1HB LYS 31 HB1 LYS 31 -0.416 -4.781 -4.781
237 2HB LYS 31 HB2 LYS 31 -1.621 -4.096 -4.096
238 1HG LYS 31 HG1 LYS 31 -0.615 -5.061 -5.061
239 2HG LYS 31 HG2 LYS 31 -0.738 -6.649 -6.649
240 1HD LYS 31 HD1 LYS 31 1.510 -6.604 -6.604
241 2HD LYS 31 HD2 LYS 31 1.291 -5.344 -5.344
242 1HE LYS 31 HE1 LYS 31 1.039 -3.920 -3.920
243 2HE LYS 31 HE2 LYS 31 2.237 -5.133 -5.133
244 1HZ LYS 31 HZ1 LYS 31 3.529 -4.526 -4.526
245 2HZ LYS 31 HZ2 LYS 31 2.378 -3.350 -3.350
246 3HZ LYS 31 HZ3 LYS 31 3.287 -3.181 -3.181
247 H LEU 32 HN LEU 32 -2.823 -4.814 -4.814
248 HA LEU 32 HA LEU 32 -4.857 -3.066 -3.066
249 1HB LEU 32 HB1 LEU 32 -3.925 -4.145 -4.145
250 2HB LEU 32 HB2 LEU 32 -5.655 -3.799 -3.799
251 HG LEU 32 HG LEU 32 -4.268 -1.662 -1.662
252 1HD1 LEU 32 HD13 LEU 32 -3.116 -2.608 -2.608
253 2HD1 LEU 32 HD11 LEU 32 -3.116 -0.890 -0.890
254 3HD1 LEU 32 HD12 LEU 32 -2.271 -2.040 -2.040
255 1HD2 LEU 32 HD21 LEU 32 -6.503 -1.865 -1.865
256 2HD2 LEU 32 HD22 LEU 32 -5.604 -0.348 -0.348
257 3HD2 LEU 32 HD23 LEU 32 -5.449 -1.454 -1.454
258 H LYS 33 HN LYS 33 -5.372 -6.230 -6.230
259 HA LYS 33 HA LYS 33 -8.163 -6.339 -6.339
260 1HB LYS 33 HB1 LYS 33 -6.379 -7.921 -7.921
261 2HB LYS 33 HB2 LYS 33 -6.735 -8.924 -8.924
262 1HG LYS 33 HG1 LYS 33 -9.235 -8.258 -8.258
263 2HG LYS 33 HG2 LYS 33 -8.574 -7.964 -7.964
264 1HD LYS 33 HD1 LYS 33 -8.297 -10.547 -10.547
265 2HD LYS 33 HD2 LYS 33 -9.404 -10.287 -10.287
266 1HE LYS 33 HE1 LYS 33 -6.569 -9.591 -9.591
267 2HE LYS 33 HE2 LYS 33 -6.897 -11.308 -11.308
268 1HZ LYS 33 HZ2 LYS 33 -8.394 -9.555 -9.555
269 2HZ LYS 33 HZ3 LYS 33 -7.114 -10.573 -10.573
270 3HZ LYS 33 HZ1 LYS 33 -8.545 -11.240 -11.240
271 H ALA 34 HN ALA 34 -5.481 -6.809 -6.809
272 HA ALA 34 HA ALA 34 -6.761 -8.518 -8.518
273 1HB ALA 34 HB2 ALA 34 -4.268 -7.096 -7.096
274 2HB ALA 34 HB3 ALA 34 -4.948 -6.813 -6.813
275 3HB ALA 34 HB1 ALA 34 -4.658 -8.461 -8.461
276 H GLU 35 HN GLU 35 -6.757 -5.031 -5.031
277 HA GLU 35 HA GLU 35 -8.222 -4.560 -4.560
278 1HB GLU 35 HB1 GLU 35 -7.078 -2.825 -2.825
279 2HB GLU 35 HB2 GLU 35 -8.308 -2.165 -2.165
280 1HG GLU 35 HG1 GLU 35 -6.778 -3.219 -3.219
281 2HG GLU 35 HG2 GLU 35 -5.532 -3.111 -3.111
282 H ILE 36 HN ILE 36 -8.869 -3.700 -3.700
283 HA ILE 36 HA ILE 36 -11.584 -3.108 -3.108
284 HB ILE 36 HB ILE 36 -11.699 -4.169 -4.169
285 1HG1 ILE 36 HG11 ILE 36 -8.718 -3.825 -3.825
286 2HG1 ILE 36 HG12 ILE 36 -9.449 -5.380 -5.380
287 1HG2 ILE 36 HG21 ILE 36 -10.604 -1.697 -1.697
288 2HG2 ILE 36 HG22 ILE 36 -9.887 -2.096 -2.096
289 3HG2 ILE 36 HG23 ILE 36 -11.637 -1.936 -1.936
290 1HD1 ILE 36 HD11 ILE 36 -10.319 -4.064 -4.064
291 2HD1 ILE 36 HD12 ILE 36 -8.704 -4.770 -4.770
292 3HD1 ILE 36 HD13 ILE 36 -10.113 -5.778 -5.778
293 H GLN 37 HN GLN 37 -10.051 -6.280 -6.280
294 HA GLN 37 HA GLN 37 -12.196 -7.967 -7.967
295 1HB GLN 37 HB1 GLN 37 -9.733 -8.165 -8.165
296 2HB GLN 37 HB2 GLN 37 -11.002 -9.322 -9.322
297 1HG GLN 37 HG1 GLN 37 -10.011 -8.838 -8.838
298 2HG GLN 37 HG2 GLN 37 -9.384 -10.114 -10.114
299 1HE2 GLN 37 HE22 GLN 37 -11.968 -12.012 -12.012
300 2HE2 GLN 37 HE21 GLN 37 -10.313 -11.639 -11.639
301 H LYS 38 HN LYS 38 -11.242 -7.021 -7.021
302 HA LYS 38 HA LYS 38 -13.801 -7.824 -7.824
303 1HB LYS 38 HB1 LYS 38 -11.457 -6.292 -6.292
304 2HB LYS 38 HB2 LYS 38 -12.934 -6.540 -6.540
305 1HG LYS 38 HG1 LYS 38 -11.822 -8.444 -8.444
306 2HG LYS 38 HG2 LYS 38 -12.522 -9.069 -9.069
307 1HD LYS 38 HD1 LYS 38 -10.497 -9.191 -9.191
308 2HD LYS 38 HD2 LYS 38 -9.993 -7.620 -7.620
309 1HE LYS 38 HE1 LYS 38 -9.636 -8.723 -8.723
310 2HE LYS 38 HE2 LYS 38 -9.937 -10.275 -10.275
311 1HZ LYS 38 HZ3 LYS 38 -7.912 -8.400 -8.400
312 2HZ LYS 38 HZ1 LYS 38 -7.536 -9.485 -9.485
313 3HZ LYS 38 HZ2 LYS 38 -8.047 -10.073 -10.073
314 1HN NH2 39 1HN NH2 39 -14.430 -5.101 -5.101
315 2HN NH2 39 2HN NH2 39 -15.639 -5.924 -5.924
Start of MODEL 11
1 1H2 SIN 0 1H2 SIN 0 -16.010 2.099 2.099
2 2H2 SIN 0 2H2 SIN 0 -15.394 3.453 3.453
3 1H3 SIN 0 1H3 SIN 0 -16.260 1.534 1.534
4 2H3 SIN 0 2H3 SIN 0 -15.379 0.632 0.632
5 H ASP 1 HN ASP 1 -14.953 2.386 2.386
6 HA ASP 1 HA ASP 1 -12.466 1.032 1.032
7 1HB ASP 1 HB1 ASP 1 -14.162 2.035 2.035
8 2HB ASP 1 HB2 ASP 1 -12.574 2.748 2.748
9 H TRP 2 HN TRP 2 -13.220 4.500 4.500
10 HA TRP 2 HA TRP 2 -10.649 5.522 5.522
11 1HB TRP 2 HB1 TRP 2 -11.427 7.560 7.560
12 2HB TRP 2 HB2 TRP 2 -12.770 6.865 6.865
13 HD1 TRP 2 HD1 TRP 2 -14.524 5.370 5.370
14 HE1 TRP 2 HE1 TRP 2 -15.366 5.717 5.717
15 HE3 TRP 2 HE3 TRP 2 -10.841 8.402 8.402
16 HZ2 TRP 2 HZ2 TRP 2 -14.549 7.113 7.113
17 HZ3 TRP 2 HZ3 TRP 2 -10.887 9.236 9.236
18 HH2 TRP 2 HH2 TRP 2 -12.737 8.591 8.591
19 H LEU 3 HN LEU 3 -12.115 4.205 4.205
20 HA LEU 3 HA LEU 3 -10.262 5.160 5.160
21 1HB LEU 3 HB1 LEU 3 -12.369 3.286 3.286
22 2HB LEU 3 HB2 LEU 3 -10.956 2.427 2.427
23 HG LEU 3 HG LEU 3 -10.745 4.861 4.861
24 1HD1 LEU 3 HD11 LEU 3 -13.250 5.005 5.005
25 2HD1 LEU 3 HD12 LEU 3 -13.595 4.259 4.259
26 3HD1 LEU 3 HD13 LEU 3 -12.764 5.812 5.812
27 1HD2 LEU 3 HD23 LEU 3 -11.003 2.218 2.218
28 2HD2 LEU 3 HD21 LEU 3 -10.840 3.550 3.550
29 3HD2 LEU 3 HD22 LEU 3 -12.440 2.931 2.931
30 H LYS 4 HN LYS 4 -10.000 2.406 2.406
31 HA LYS 4 HA LYS 4 -7.737 1.117 1.117
32 1HB LYS 4 HB1 LYS 4 -9.088 1.134 1.134
33 2HB LYS 4 HB2 LYS 4 -7.448 1.633 1.633
34 1HG LYS 4 HG1 LYS 4 -6.915 -0.565 -0.565
35 2HG LYS 4 HG2 LYS 4 -7.064 -0.443 -0.443
36 1HD LYS 4 HD1 LYS 4 -8.772 -1.911 -1.911
37 2HD LYS 4 HD2 LYS 4 -9.700 -0.678 -0.678
38 1HE LYS 4 HE1 LYS 4 -8.045 -1.665 -1.665
39 2HE LYS 4 HE2 LYS 4 -8.415 -3.108 -3.108
40 1HZ LYS 4 HZ1 LYS 4 -10.794 -1.772 -1.772
41 2HZ LYS 4 HZ2 LYS 4 -10.100 -1.607 -1.607
42 3HZ LYS 4 HZ3 LYS 4 -10.340 -3.151 -3.151
43 H ALA 5 HN ALA 5 -7.946 4.159 4.159
44 HA ALA 5 HA ALA 5 -5.092 4.635 4.635
45 1HB ALA 5 HB2 ALA 5 -7.472 5.919 5.919
46 2HB ALA 5 HB3 ALA 5 -6.557 7.098 7.098
47 3HB ALA 5 HB1 ALA 5 -5.800 6.283 6.283
48 H ARG 6 HN ARG 6 -7.743 5.559 5.559
49 HA ARG 6 HA ARG 6 -6.413 7.339 7.339
50 1HB ARG 6 HB1 ARG 6 -8.584 5.295 5.295
51 2HB ARG 6 HB2 ARG 6 -7.934 6.180 6.180
52 1HG ARG 6 HG1 ARG 6 -8.690 7.782 7.782
53 2HG ARG 6 HG2 ARG 6 -10.006 7.097 7.097
54 1HD ARG 6 HD1 ARG 6 -9.659 9.132 9.132
55 2HD ARG 6 HD2 ARG 6 -8.637 8.053 8.053
56 HE ARG 6 HE ARG 6 -7.327 9.436 9.436
57 1HH1 ARG 6 HH11 ARG 6 -6.605 8.208 8.208
58 2HH1 ARG 6 HH12 ARG 6 -5.899 9.633 9.633
59 1HH2 ARG 6 HH21 ARG 6 -7.025 11.728 11.728
60 2HH2 ARG 6 HH22 ARG 6 -6.134 11.626 11.626
61 H VAL 7 HN VAL 7 -6.254 3.819 3.819
62 HA VAL 7 HA VAL 7 -4.647 3.586 3.586
63 HB VAL 7 HB VAL 7 -4.946 1.438 1.438
64 1HG1 VAL 7 HG11 VAL 7 -3.563 1.198 1.198
65 2HG1 VAL 7 HG12 VAL 7 -5.086 1.293 1.293
66 3HG1 VAL 7 HG13 VAL 7 -4.805 -0.028 -0.028
67 1HG2 VAL 7 HG21 VAL 7 -7.096 2.852 2.852
68 2HG2 VAL 7 HG22 VAL 7 -7.193 1.550 1.550
69 3HG2 VAL 7 HG23 VAL 7 -7.052 1.172 1.172
70 H GLU 8 HN GLU 8 -4.101 3.736 3.736
71 HA GLU 8 HA GLU 8 -1.405 2.788 2.788
72 1HB GLU 8 HB1 GLU 8 -2.925 4.660 4.660
73 2HB GLU 8 HB2 GLU 8 -1.249 4.202 4.202
74 1HG GLU 8 HG1 GLU 8 -2.674 1.815 1.815
75 2HG GLU 8 HG2 GLU 8 -3.644 2.716 2.716
76 H GLN 9 HN GLN 9 -2.539 6.187 6.187
77 HA GLN 9 HA GLN 9 -0.062 7.437 7.437
78 1HB GLN 9 HB1 GLN 9 -2.853 8.181 8.181
79 2HB GLN 9 HB2 GLN 9 -1.835 8.982 8.982
80 1HG GLN 9 HG1 GLN 9 -0.561 10.073 10.073
81 2HG GLN 9 HG2 GLN 9 -0.961 8.891 8.891
82 1HE2 GLN 9 HE21 GLN 9 -1.878 11.929 11.929
83 2HE2 GLN 9 HE22 GLN 9 -3.303 12.153 12.153
84 H GLU 10 HN GLU 10 -2.161 6.001 6.001
85 HA GLU 10 HA GLU 10 -0.823 6.989 6.989
86 1HB GLU 10 HB1 GLU 10 -2.920 5.850 5.850
87 2HB GLU 10 HB2 GLU 10 -2.298 4.390 4.390
88 1HG GLU 10 HG1 GLU 10 -1.290 3.683 3.683
89 2HG GLU 10 HG2 GLU 10 -0.689 5.297 5.297
90 H LEU 11 HN LEU 11 -0.370 3.791 3.791
91 HA LEU 11 HA LEU 11 1.972 3.157 3.157
92 1HB LEU 11 HB1 LEU 11 0.992 2.122 2.122
93 2HB LEU 11 HB2 LEU 11 2.345 1.424 1.424
94 HG LEU 11 HG LEU 11 0.007 1.794 1.794
95 1HD1 LEU 11 HD12 LEU 11 -0.849 1.291 1.291
96 2HD1 LEU 11 HD13 LEU 11 -0.405 -0.357 -0.357
97 3HD1 LEU 11 HD11 LEU 11 -1.595 0.525 0.525
98 1HD2 LEU 11 HD22 LEU 11 2.000 0.368 0.368
99 2HD2 LEU 11 HD23 LEU 11 0.491 -0.541 -0.541
100 3HD2 LEU 11 HD21 LEU 11 1.536 -0.684 -0.684
101 H GLN 12 HN GLN 12 1.495 5.315 5.315
102 HA GLN 12 HA GLN 12 3.993 5.144 5.144
103 1HB GLN 12 HB1 GLN 12 1.766 6.937 6.937
104 2HB GLN 12 HB2 GLN 12 3.240 7.894 7.894
105 1HG GLN 12 HG1 GLN 12 3.784 5.912 5.912
106 2HG GLN 12 HG2 GLN 12 2.187 6.556 6.556
107 1HE2 GLN 12 HE22 GLN 12 3.446 9.896 9.896
108 2HE2 GLN 12 HE21 GLN 12 2.088 9.073 9.073
109 H ALA 13 HN ALA 13 3.052 7.081 7.081
110 HA ALA 13 HA ALA 13 5.698 8.189 8.189
111 1HB ALA 13 HB3 ALA 13 3.175 8.052 8.052
112 2HB ALA 13 HB1 ALA 13 4.673 8.542 8.542
113 3HB ALA 13 HB2 ALA 13 4.055 9.468 9.468
114 H LEU 14 HN LEU 14 4.054 5.276 5.276
115 HA LEU 14 HA LEU 14 5.826 4.546 4.546
116 1HB LEU 14 HB1 LEU 14 3.589 3.417 3.417
117 2HB LEU 14 HB2 LEU 14 4.889 2.254 2.254
118 HG LEU 14 HG LEU 14 5.381 2.230 2.230
119 1HD1 LEU 14 HD12 LEU 14 3.786 4.644 4.644
120 2HD1 LEU 14 HD13 LEU 14 3.140 3.523 3.523
121 3HD1 LEU 14 HD11 LEU 14 4.823 4.043 4.043
122 1HD2 LEU 14 HD21 LEU 14 2.461 1.846 1.846
123 2HD2 LEU 14 HD22 LEU 14 3.732 0.623 0.623
124 3HD2 LEU 14 HD23 LEU 14 3.171 1.292 1.292
125 H GLU 15 HN GLU 15 5.987 4.060 4.060
126 HA GLU 15 HA GLU 15 8.529 2.572 2.572
127 1HB GLU 15 HB1 GLU 15 8.381 2.376 2.376
128 2HB GLU 15 HB2 GLU 15 6.925 1.783 1.783
129 1HG GLU 15 HG1 GLU 15 5.728 3.803 3.803
130 2HG GLU 15 HG2 GLU 15 7.202 4.611 4.611
131 H ALA 16 HN ALA 16 7.661 5.752 5.752
132 HA ALA 16 HA ALA 16 9.636 6.874 6.874
133 1HB ALA 16 HB1 ALA 16 8.028 8.024 8.024
134 2HB ALA 16 HB2 ALA 16 9.178 8.986 8.986
135 3HB ALA 16 HB3 ALA 16 7.777 8.272 8.272
136 H ARG 17 HN ARG 17 9.719 5.563 5.563
137 HA ARG 17 HA ARG 17 12.538 5.569 5.569
138 1HB ARG 17 HB1 ARG 17 12.806 7.347 7.347
139 2HB ARG 17 HB2 ARG 17 12.499 7.968 7.968
140 1HG ARG 17 HG1 ARG 17 10.040 8.053 8.053
141 2HG ARG 17 HG2 ARG 17 10.511 7.681 7.681
142 1HD ARG 17 HD1 ARG 17 12.224 9.754 9.754
143 2HD ARG 17 HD2 ARG 17 10.688 10.208 10.208
144 HE ARG 17 HE ARG 17 9.694 10.274 10.274
145 1HH1 ARG 17 HH11 ARG 17 11.485 8.080 8.080
146 2HH1 ARG 17 HH12 ARG 17 12.426 8.992 8.992
147 1HH2 ARG 17 HH21 ARG 17 11.583 12.065 12.065
148 2HH2 ARG 17 HH22 ARG 17 12.481 11.246 11.246
149 H GLY 18 HN GLY 18 11.585 3.464 3.464
150 1HA GLY 18 HA1 GLY 18 10.851 3.536 3.536
151 2HA GLY 18 HA2 GLY 18 10.148 2.370 2.370
152 H THR 19 HN THR 19 11.588 0.723 0.723
153 HA THR 19 HA THR 19 14.333 0.447 0.447
154 HB THR 19 HB THR 19 13.377 -1.630 -1.630
155 HG1 THR 19 HG1 THR 19 11.450 -0.543 -0.543
156 1HG2 THR 19 HG22 THR 19 14.872 0.941 0.941
157 2HG2 THR 19 HG23 THR 19 14.405 0.012 0.012
158 3HG2 THR 19 HG21 THR 19 15.438 -0.717 -0.717
159 H ASP 20 HN ASP 20 14.407 -0.399 -0.399
160 HA ASP 20 HA ASP 20 14.288 -2.065 -2.065
161 1HB ASP 20 HB1 ASP 20 14.477 -3.431 -3.431
162 2HB ASP 20 HB2 ASP 20 13.728 -4.418 -4.418
163 H SER 21 HN SER 21 11.985 -0.706 -0.706
164 HA SER 21 HA SER 21 9.768 -2.622 -2.622
165 1HB SER 21 HB1 SER 21 9.468 -0.329 -0.329
166 2HB SER 21 HB2 SER 21 9.717 0.312 0.312
167 HG SER 21 HG SER 21 7.647 -1.429 -1.429
168 H ASN 22 HN ASN 22 11.968 -1.922 -1.922
169 HA ASN 22 HA ASN 22 10.054 -2.032 -2.032
170 1HB ASN 22 HB1 ASN 22 11.921 -0.473 -0.473
171 2HB ASN 22 HB2 ASN 22 13.075 -1.773 -1.773
172 1HD2 ASN 22 HD22 ASN 22 13.042 -2.877 -2.877
173 2HD2 ASN 22 HD21 ASN 22 13.728 -3.012 -3.012
174 H ALA 23 HN ALA 23 10.704 -4.290 -4.290
175 HA ALA 23 HA ALA 23 11.460 -6.304 -6.304
176 1HB ALA 23 HB3 ALA 23 12.908 -5.816 -5.816
177 2HB ALA 23 HB1 ALA 23 11.758 -6.981 -6.981
178 3HB ALA 23 HB2 ALA 23 12.778 -7.424 -7.424
179 H GLU 24 HN GLU 24 9.503 -5.659 -5.659
180 HA GLU 24 HA GLU 24 7.941 -8.080 -8.080
181 1HB GLU 24 HB1 GLU 24 7.060 -5.620 -5.620
182 2HB GLU 24 HB2 GLU 24 6.730 -7.312 -7.312
183 1HG GLU 24 HG1 GLU 24 9.259 -7.572 -7.572
184 2HG GLU 24 HG2 GLU 24 9.341 -5.810 -5.810
185 H LEU 25 HN LEU 25 8.065 -5.368 -5.368
186 HA LEU 25 HA LEU 25 5.523 -4.398 -4.398
187 1HB LEU 25 HB1 LEU 25 7.733 -5.111 -5.111
188 2HB LEU 25 HB2 LEU 25 6.198 -4.496 -4.496
189 HG LEU 25 HG LEU 25 7.515 -3.050 -3.050
190 1HD1 LEU 25 HD12 LEU 25 9.261 -3.516 -3.516
191 2HD1 LEU 25 HD13 LEU 25 8.263 -2.559 -2.559
192 3HD1 LEU 25 HD11 LEU 25 8.961 -1.812 -1.812
193 1HD2 LEU 25 HD22 LEU 25 5.207 -2.587 -2.587
194 2HD2 LEU 25 HD23 LEU 25 6.274 -1.226 -1.226
195 3HD2 LEU 25 HD21 LEU 25 6.183 -1.882 -1.882
196 H ARG 26 HN ARG 26 6.679 -7.637 -7.637
197 HA ARG 26 HA ARG 26 4.459 -8.384 -8.384
198 1HB ARG 26 HB1 ARG 26 6.058 -10.268 -10.268
199 2HB ARG 26 HB2 ARG 26 5.245 -10.633 -10.633
200 1HG ARG 26 HG1 ARG 26 7.620 -8.771 -8.771
201 2HG ARG 26 HG2 ARG 26 7.680 -10.402 -10.402
202 1HD ARG 26 HD1 ARG 26 6.840 -9.743 -9.743
203 2HD ARG 26 HD2 ARG 26 5.677 -8.644 -8.644
204 HE ARG 26 HE ARG 26 8.325 -7.577 -7.577
205 1HH1 ARG 26 HH11 ARG 26 5.899 -8.272 -8.272
206 2HH1 ARG 26 HH12 ARG 26 6.319 -6.935 -6.935
207 1HH2 ARG 26 HH21 ARG 26 8.858 -5.807 -5.807
208 2HH2 ARG 26 HH22 ARG 26 7.994 -5.543 -5.543
209 H ALA 27 HN ALA 27 5.146 -9.317 -9.317
210 HA ALA 27 HA ALA 27 2.501 -10.300 -10.300
211 1HB ALA 27 HB2 ALA 27 4.810 -10.514 -10.514
212 2HB ALA 27 HB3 ALA 27 4.065 -9.211 -9.211
213 3HB ALA 27 HB1 ALA 27 3.241 -10.762 -10.762
214 H MET 28 HN MET 28 3.611 -7.144 -7.144
215 HA MET 28 HA MET 28 1.862 -5.821 -5.821
216 1HB MET 28 HB1 MET 28 3.900 -4.724 -4.724
217 2HB MET 28 HB2 MET 28 3.223 -4.746 -4.746
218 1HG MET 28 HG1 MET 28 1.798 -3.015 -3.015
219 2HG MET 28 HG2 MET 28 1.481 -3.560 -3.560
220 1HE MET 28 HE1 MET 28 4.367 -2.747 -2.747
221 2HE MET 28 HE2 MET 28 3.686 -1.123 -1.123
222 3HE MET 28 HE3 MET 28 5.242 -1.407 -1.407
223 H GLU 29 HN GLU 29 1.716 -6.471 -6.471
224 HA GLU 29 HA GLU 29 -0.702 -5.138 -5.138
225 1HB GLU 29 HB1 GLU 29 -0.879 -6.511 -6.511
226 2HB GLU 29 HB2 GLU 29 0.852 -6.359 -6.359
227 1HG GLU 29 HG1 GLU 29 0.562 -8.543 -8.543
228 2HG GLU 29 HG2 GLU 29 -0.956 -8.717 -8.717
229 H ALA 30 HN ALA 30 -0.155 -8.311 -8.311
230 HA ALA 30 HA ALA 30 -2.854 -9.210 -9.210
231 1HB ALA 30 HB3 ALA 30 -0.576 -9.765 -9.765
232 2HB ALA 30 HB1 ALA 30 -2.109 -10.638 -10.638
233 3HB ALA 30 HB2 ALA 30 -1.049 -10.740 -10.740
234 H LYS 31 HN LYS 31 -1.002 -7.560 -7.560
235 HA LYS 31 HA LYS 31 -3.187 -7.252 -7.252
236 1HB LYS 31 HB1 LYS 31 -0.505 -6.021 -6.021
237 2HB LYS 31 HB2 LYS 31 -1.674 -5.090 -5.090
238 1HG LYS 31 HG1 LYS 31 -1.933 -6.821 -6.821
239 2HG LYS 31 HG2 LYS 31 -1.219 -8.029 -8.029
240 1HD LYS 31 HD1 LYS 31 0.930 -7.390 -7.390
241 2HD LYS 31 HD2 LYS 31 0.489 -5.695 -5.695
242 1HE LYS 31 HE1 LYS 31 -0.747 -7.452 -7.452
243 2HE LYS 31 HE2 LYS 31 1.016 -7.481 -7.481
244 1HZ LYS 31 HZ1 LYS 31 0.631 -4.889 -4.889
245 2HZ LYS 31 HZ2 LYS 31 -0.828 -5.286 -5.286
246 3HZ LYS 31 HZ3 LYS 31 0.657 -5.660 -5.660
247 H LEU 32 HN LEU 32 -2.400 -5.611 -5.611
248 HA LEU 32 HA LEU 32 -3.722 -3.128 -3.128
249 1HB LEU 32 HB1 LEU 32 -2.507 -4.481 -4.481
250 2HB LEU 32 HB2 LEU 32 -4.100 -3.926 -3.926
251 HG LEU 32 HG LEU 32 -3.395 -1.690 -1.690
252 1HD1 LEU 32 HD12 LEU 32 -0.834 -3.230 -3.230
253 2HD1 LEU 32 HD13 LEU 32 -0.808 -1.484 -1.484
254 3HD1 LEU 32 HD11 LEU 32 -1.360 -2.153 -2.153
255 1HD2 LEU 32 HD23 LEU 32 -2.634 -2.782 -2.782
256 2HD2 LEU 32 HD21 LEU 32 -3.721 -1.452 -1.452
257 3HD2 LEU 32 HD22 LEU 32 -1.975 -1.213 -1.213
258 H LYS 33 HN LYS 33 -4.952 -6.043 -6.043
259 HA LYS 33 HA LYS 33 -7.638 -5.112 -5.112
260 1HB LYS 33 HB1 LYS 33 -6.598 -7.958 -7.958
261 2HB LYS 33 HB2 LYS 33 -8.213 -7.486 -7.486
262 1HG LYS 33 HG1 LYS 33 -7.283 -6.223 -6.223
263 2HG LYS 33 HG2 LYS 33 -5.642 -6.510 -6.510
264 1HD LYS 33 HD1 LYS 33 -5.718 -8.797 -8.797
265 2HD LYS 33 HD2 LYS 33 -7.481 -8.818 -8.818
266 1HE LYS 33 HE1 LYS 33 -6.434 -6.882 -6.882
267 2HE LYS 33 HE2 LYS 33 -5.715 -8.466 -8.466
268 1HZ LYS 33 HZ1 LYS 33 -8.190 -9.221 -9.221
269 2HZ LYS 33 HZ2 LYS 33 -8.513 -7.630 -7.630
270 3HZ LYS 33 HZ3 LYS 33 -7.631 -8.680 -8.680
271 H ALA 34 HN ALA 34 -5.871 -6.674 -6.674
272 HA ALA 34 HA ALA 34 -8.115 -7.545 -7.545
273 1HB ALA 34 HB2 ALA 34 -5.462 -7.865 -7.865
274 2HB ALA 34 HB3 ALA 34 -5.689 -6.534 -6.534
275 3HB ALA 34 HB1 ALA 34 -6.572 -8.045 -8.045
276 H GLU 35 HN GLU 35 -6.251 -4.496 -4.496
277 HA GLU 35 HA GLU 35 -7.782 -3.278 -3.278
278 1HB GLU 35 HB1 GLU 35 -5.792 -2.423 -2.423
279 2HB GLU 35 HB2 GLU 35 -6.943 -1.162 -1.162
280 1HG GLU 35 HG1 GLU 35 -6.002 -0.922 -0.922
281 2HG GLU 35 HG2 GLU 35 -6.028 -2.663 -2.663
282 H ILE 36 HN ILE 36 -7.938 -2.644 -2.644
283 HA ILE 36 HA ILE 36 -10.295 -1.092 -1.092
284 HB ILE 36 HB ILE 36 -10.587 -1.997 -1.997
285 1HG1 ILE 36 HG11 ILE 36 -7.925 -2.949 -2.949
286 2HG1 ILE 36 HG12 ILE 36 -8.680 -3.855 -3.855
287 1HG2 ILE 36 HG22 ILE 36 -9.281 0.081 0.081
288 2HG2 ILE 36 HG23 ILE 36 -7.834 -0.906 -0.906
289 3HG2 ILE 36 HG21 ILE 36 -8.873 -0.566 -0.566
290 1HD1 ILE 36 HD11 ILE 36 -10.640 -3.634 -3.634
291 2HD1 ILE 36 HD12 ILE 36 -9.139 -4.062 -4.062
292 3HD1 ILE 36 HD13 ILE 36 -9.757 -5.086 -5.086
293 H GLN 37 HN GLN 37 -9.865 -4.518 -4.518
294 HA GLN 37 HA GLN 37 -12.253 -5.650 -5.650
295 1HB GLN 37 HB1 GLN 37 -10.457 -6.895 -6.895
296 2HB GLN 37 HB2 GLN 37 -10.919 -6.114 -6.114
297 1HG GLN 37 HG1 GLN 37 -12.461 -7.723 -7.723
298 2HG GLN 37 HG2 GLN 37 -13.293 -7.181 -7.181
299 1HE2 GLN 37 HE22 GLN 37 -12.359 -10.755 -10.755
300 2HE2 GLN 37 HE21 GLN 37 -13.365 -9.913 -9.913
301 H LYS 38 HN LYS 38 -11.736 -3.666 -3.666
302 HA LYS 38 HA LYS 38 -14.160 -3.937 -3.937
303 1HB LYS 38 HB1 LYS 38 -12.250 -2.377 -2.377
304 2HB LYS 38 HB2 LYS 38 -12.905 -1.239 -1.239
305 1HG LYS 38 HG1 LYS 38 -14.500 -0.571 -0.571
306 2HG LYS 38 HG2 LYS 38 -15.005 -2.236 -2.236
307 1HD LYS 38 HD1 LYS 38 -12.591 -2.097 -2.097
308 2HD LYS 38 HD2 LYS 38 -13.278 -0.498 -0.498
309 1HE LYS 38 HE1 LYS 38 -15.413 -1.622 -1.622
310 2HE LYS 38 HE2 LYS 38 -14.583 -3.173 -3.173
311 1HZ LYS 38 HZ1 LYS 38 -12.936 -2.344 -2.344
312 2HZ LYS 38 HZ2 LYS 38 -13.829 -0.909 -0.909
313 3HZ LYS 38 HZ3 LYS 38 -14.499 -2.392 -2.392
314 1HN NH2 39 1HN NH2 39 -14.391 -2.197 -2.197
315 2HN NH2 39 2HN NH2 39 -14.451 -0.901 -0.901
Start of MODEL 12
1 1H2 SIN 0 1H2 SIN 0 -17.142 0.288 0.288
2 2H2 SIN 0 2H2 SIN 0 -16.225 -0.807 -0.807
3 1H3 SIN 0 1H3 SIN 0 -14.547 -1.080 -1.080
4 2H3 SIN 0 2H3 SIN 0 -15.450 0.058 0.058
5 H ASP 1 HN ASP 1 -15.566 1.109 1.109
6 HA ASP 1 HA ASP 1 -12.908 0.088 0.088
7 1HB ASP 1 HB1 ASP 1 -14.989 0.213 0.213
8 2HB ASP 1 HB2 ASP 1 -14.081 1.611 1.611
9 H TRP 2 HN TRP 2 -14.159 3.311 3.311
10 HA TRP 2 HA TRP 2 -12.094 4.793 4.793
11 1HB TRP 2 HB1 TRP 2 -12.839 6.661 6.661
12 2HB TRP 2 HB2 TRP 2 -14.269 5.704 5.704
13 HD1 TRP 2 HD1 TRP 2 -15.080 3.952 3.952
14 HE1 TRP 2 HE1 TRP 2 -15.004 4.152 4.152
15 HE3 TRP 2 HE3 TRP 2 -11.591 7.628 7.628
16 HZ2 TRP 2 HZ2 TRP 2 -13.613 5.683 5.683
17 HZ3 TRP 2 HZ3 TRP 2 -10.900 8.443 8.443
18 HH2 TRP 2 HH2 TRP 2 -11.909 7.474 7.474
19 H LEU 3 HN LEU 3 -12.331 3.390 3.390
20 HA LEU 3 HA LEU 3 -10.065 4.604 4.604
21 1HB LEU 3 HB1 LEU 3 -11.814 2.389 2.389
22 2HB LEU 3 HB2 LEU 3 -10.143 1.958 1.958
23 HG LEU 3 HG LEU 3 -10.728 4.680 4.680
24 1HD1 LEU 3 HD12 LEU 3 -13.034 3.684 3.684
25 2HD1 LEU 3 HD13 LEU 3 -12.368 2.505 2.505
26 3HD1 LEU 3 HD11 LEU 3 -12.353 4.221 4.221
27 1HD2 LEU 3 HD22 LEU 3 -9.270 2.358 2.358
28 2HD2 LEU 3 HD23 LEU 3 -9.114 4.016 4.016
29 3HD2 LEU 3 HD21 LEU 3 -10.258 2.917 2.917
30 H LYS 4 HN LYS 4 -10.233 2.166 2.166
31 HA LYS 4 HA LYS 4 -7.602 1.053 1.053
32 1HB LYS 4 HB1 LYS 4 -8.982 1.246 1.246
33 2HB LYS 4 HB2 LYS 4 -7.882 -0.008 -0.008
34 1HG LYS 4 HG1 LYS 4 -9.986 0.037 0.037
35 2HG LYS 4 HG2 LYS 4 -10.765 0.174 0.174
36 1HD LYS 4 HD1 LYS 4 -10.447 -2.035 -2.035
37 2HD LYS 4 HD2 LYS 4 -8.706 -1.757 -1.757
38 1HE LYS 4 HE1 LYS 4 -9.928 -1.727 -1.727
39 2HE LYS 4 HE2 LYS 4 -10.103 -3.273 -3.273
40 1HZ LYS 4 HZ1 LYS 4 -7.492 -1.973 -1.973
41 2HZ LYS 4 HZ2 LYS 4 -7.950 -2.656 -2.656
42 3HZ LYS 4 HZ3 LYS 4 -7.879 -3.622 -3.622
43 H ALA 5 HN ALA 5 -8.864 3.807 3.807
44 HA ALA 5 HA ALA 5 -6.247 4.422 4.422
45 1HB ALA 5 HB3 ALA 5 -8.987 5.659 5.659
46 2HB ALA 5 HB1 ALA 5 -7.585 6.578 6.578
47 3HB ALA 5 HB2 ALA 5 -7.997 5.050 5.050
48 H ARG 6 HN ARG 6 -8.174 5.403 5.403
49 HA ARG 6 HA ARG 6 -6.394 7.669 7.669
50 1HB ARG 6 HB1 ARG 6 -7.947 8.368 8.368
51 2HB ARG 6 HB2 ARG 6 -8.972 7.573 7.573
52 1HG ARG 6 HG1 ARG 6 -9.771 6.380 6.380
53 2HG ARG 6 HG2 ARG 6 -8.259 5.476 5.476
54 1HD ARG 6 HD1 ARG 6 -7.780 7.921 7.921
55 2HD ARG 6 HD2 ARG 6 -9.180 7.118 7.118
56 HE ARG 6 HE ARG 6 -7.299 5.091 5.091
57 1HH1 ARG 6 HH21 ARG 6 -5.666 7.761 7.761
58 2HH1 ARG 6 HH22 ARG 6 -5.329 7.566 7.566
59 1HH2 ARG 6 HH11 ARG 6 -7.635 5.016 5.016
60 2HH2 ARG 6 HH12 ARG 6 -6.444 6.015 6.015
61 H VAL 7 HN VAL 7 -6.428 4.352 4.352
62 HA VAL 7 HA VAL 7 -5.059 4.634 4.634
63 HB VAL 7 HB VAL 7 -6.723 2.778 2.778
64 1HG1 VAL 7 HG11 VAL 7 -4.375 1.821 1.821
65 2HG1 VAL 7 HG12 VAL 7 -5.764 0.826 0.826
66 3HG1 VAL 7 HG13 VAL 7 -5.981 2.239 2.239
67 1HG2 VAL 7 HG21 VAL 7 -4.530 2.833 2.833
68 2HG2 VAL 7 HG22 VAL 7 -5.698 1.511 1.511
69 3HG2 VAL 7 HG23 VAL 7 -4.200 1.387 1.387
70 H GLU 8 HN GLU 8 -4.317 3.848 3.848
71 HA GLU 8 HA GLU 8 -1.627 2.942 2.942
72 1HB GLU 8 HB1 GLU 8 -3.327 3.437 3.437
73 2HB GLU 8 HB2 GLU 8 -1.722 4.113 4.113
74 1HG GLU 8 HG1 GLU 8 -1.122 1.997 1.997
75 2HG GLU 8 HG2 GLU 8 -1.157 1.674 1.674
76 H GLN 9 HN GLN 9 -3.031 6.125 6.125
77 HA GLN 9 HA GLN 9 -0.628 7.561 7.561
78 1HB GLN 9 HB1 GLN 9 -3.338 8.196 8.196
79 2HB GLN 9 HB2 GLN 9 -2.588 9.073 9.073
80 1HG GLN 9 HG1 GLN 9 -0.858 9.899 9.899
81 2HG GLN 9 HG2 GLN 9 -1.868 9.212 9.212
82 1HE2 GLN 9 HE22 GLN 9 -3.516 12.350 12.350
83 2HE2 GLN 9 HE21 GLN 9 -2.548 11.241 11.241
84 H GLU 10 HN GLU 10 -2.395 6.904 6.904
85 HA GLU 10 HA GLU 10 -0.523 8.284 8.284
86 1HB GLU 10 HB1 GLU 10 -2.800 6.443 6.443
87 2HB GLU 10 HB2 GLU 10 -1.584 6.383 6.383
88 1HG GLU 10 HG1 GLU 10 -2.265 9.113 9.113
89 2HG GLU 10 HG2 GLU 10 -3.617 8.236 8.236
90 H LEU 11 HN LEU 11 -0.833 4.843 4.843
91 HA LEU 11 HA LEU 11 1.429 3.985 3.985
92 1HB LEU 11 HB1 LEU 11 0.039 2.768 2.768
93 2HB LEU 11 HB2 LEU 11 1.331 1.960 1.960
94 HG LEU 11 HG LEU 11 -0.924 3.056 3.056
95 1HD1 LEU 11 HD11 LEU 11 -1.216 0.994 0.994
96 2HD1 LEU 11 HD12 LEU 11 -1.915 0.595 0.595
97 3HD1 LEU 11 HD13 LEU 11 -2.432 2.050 2.050
98 1HD2 LEU 11 HD23 LEU 11 1.269 1.268 1.268
99 2HD2 LEU 11 HD21 LEU 11 0.070 1.720 1.720
100 3HD2 LEU 11 HD22 LEU 11 -0.204 0.315 0.315
101 H GLN 12 HN GLN 12 1.229 5.856 5.856
102 HA GLN 12 HA GLN 12 3.611 4.895 4.895
103 1HB GLN 12 HB1 GLN 12 1.599 6.445 6.445
104 2HB GLN 12 HB2 GLN 12 2.699 7.724 7.724
105 1HG GLN 12 HG1 GLN 12 4.275 7.197 7.197
106 2HG GLN 12 HG2 GLN 12 3.807 5.497 5.497
107 1HE2 GLN 12 HE22 GLN 12 2.217 6.363 6.363
108 2HE2 GLN 12 HE21 GLN 12 3.525 5.550 5.550
109 H ALA 13 HN ALA 13 2.971 7.835 7.835
110 HA ALA 13 HA ALA 13 5.676 8.706 8.706
111 1HB ALA 13 HB2 ALA 13 3.154 9.341 9.341
112 2HB ALA 13 HB3 ALA 13 4.556 9.550 9.550
113 3HB ALA 13 HB1 ALA 13 4.467 10.414 10.414
114 H LEU 14 HN LEU 14 4.069 6.120 6.120
115 HA LEU 14 HA LEU 14 5.898 5.994 5.994
116 1HB LEU 14 HB1 LEU 14 3.544 4.569 4.569
117 2HB LEU 14 HB2 LEU 14 4.791 3.442 3.442
118 HG LEU 14 HG LEU 14 5.012 4.785 4.785
119 1HD1 LEU 14 HD12 LEU 14 3.444 6.622 6.622
120 2HD1 LEU 14 HD13 LEU 14 2.436 6.068 6.068
121 3HD1 LEU 14 HD11 LEU 14 4.011 6.793 6.793
122 1HD2 LEU 14 HD22 LEU 14 2.877 3.041 3.041
123 2HD2 LEU 14 HD23 LEU 14 3.611 3.201 3.201
124 3HD2 LEU 14 HD21 LEU 14 2.244 4.222 4.222
125 H GLU 15 HN GLU 15 5.593 4.225 4.225
126 HA GLU 15 HA GLU 15 8.021 2.682 2.682
127 1HB GLU 15 HB1 GLU 15 6.252 2.984 2.984
128 2HB GLU 15 HB2 GLU 15 7.699 1.974 1.974
129 1HG GLU 15 HG1 GLU 15 5.342 1.700 1.700
130 2HG GLU 15 HG2 GLU 15 5.664 0.654 0.654
131 H ALA 16 HN ALA 16 7.308 5.789 5.789
132 HA ALA 16 HA ALA 16 9.618 5.995 5.995
133 1HB ALA 16 HB2 ALA 16 7.360 7.435 7.435
134 2HB ALA 16 HB3 ALA 16 8.388 8.436 8.436
135 3HB ALA 16 HB1 ALA 16 8.854 8.115 8.115
136 H ARG 17 HN ARG 17 8.846 7.163 7.163
137 HA ARG 17 HA ARG 17 11.723 7.850 7.850
138 1HB ARG 17 HB1 ARG 17 9.791 9.465 9.465
139 2HB ARG 17 HB2 ARG 17 9.517 8.405 8.405
140 1HG ARG 17 HG1 ARG 17 12.117 8.692 8.692
141 2HG ARG 17 HG2 ARG 17 11.883 10.148 10.148
142 1HD ARG 17 HD1 ARG 17 9.774 10.158 10.158
143 2HD ARG 17 HD2 ARG 17 11.191 9.660 9.660
144 HE ARG 17 HE ARG 17 11.476 12.046 12.046
145 1HH1 ARG 17 HH21 ARG 17 9.846 11.682 11.682
146 2HH1 ARG 17 HH22 ARG 17 10.917 12.608 12.608
147 1HH2 ARG 17 HH11 ARG 17 13.417 12.794 12.794
148 2HH2 ARG 17 HH12 ARG 17 12.938 13.239 13.239
149 H GLY 18 HN GLY 18 11.387 5.157 5.157
150 1HA GLY 18 HA1 GLY 18 11.263 4.273 4.273
151 2HA GLY 18 HA2 GLY 18 11.011 3.211 3.211
152 H THR 19 HN THR 19 12.799 2.195 2.195
153 HA THR 19 HA THR 19 15.456 2.971 2.971
154 HB THR 19 HB THR 19 15.325 3.485 3.485
155 HG1 THR 19 HG1 THR 19 17.190 2.327 2.327
156 1HG2 THR 19 HG21 THR 19 13.948 0.934 0.934
157 2HG2 THR 19 HG22 THR 19 15.266 0.949 0.949
158 3HG2 THR 19 HG23 THR 19 14.005 2.180 2.180
159 H ASP 20 HN ASP 20 13.266 0.892 0.892
160 HA ASP 20 HA ASP 20 15.123 -1.232 -1.232
161 1HB ASP 20 HB1 ASP 20 14.388 -1.608 -1.608
162 2HB ASP 20 HB2 ASP 20 12.855 -2.112 -2.112
163 H SER 21 HN SER 21 13.648 0.294 0.294
164 HA SER 21 HA SER 21 11.023 -0.729 -0.729
165 1HB SER 21 HB1 SER 21 13.002 0.740 0.740
166 2HB SER 21 HB2 SER 21 11.315 0.450 0.450
167 HG SER 21 HG SER 21 12.213 2.462 2.462
168 H ASN 22 HN ASN 22 10.953 -1.406 -1.406
169 HA ASN 22 HA ASN 22 11.171 -3.283 -3.283
170 1HB ASN 22 HB1 ASN 22 13.642 -2.157 -2.157
171 2HB ASN 22 HB2 ASN 22 13.970 -3.786 -3.786
172 1HD2 ASN 22 HD22 ASN 22 13.697 -5.261 -5.261
173 2HD2 ASN 22 HD21 ASN 22 14.015 -5.486 -5.486
174 H ALA 23 HN ALA 23 10.709 -3.557 -3.557
175 HA ALA 23 HA ALA 23 11.126 -6.492 -6.492
176 1HB ALA 23 HB3 ALA 23 12.535 -4.648 -4.648
177 2HB ALA 23 HB1 ALA 23 11.290 -5.293 -5.293
178 3HB ALA 23 HB2 ALA 23 12.422 -6.387 -6.387
179 H GLU 24 HN GLU 24 9.447 -3.694 -3.694
180 HA GLU 24 HA GLU 24 7.334 -5.407 -5.407
181 1HB GLU 24 HB1 GLU 24 7.820 -2.429 -2.429
182 2HB GLU 24 HB2 GLU 24 6.317 -3.128 -3.128
183 1HG GLU 24 HG1 GLU 24 9.045 -4.017 -4.017
184 2HG GLU 24 HG2 GLU 24 8.132 -2.727 -2.727
185 H LEU 25 HN LEU 25 7.844 -5.095 -5.095
186 HA LEU 25 HA LEU 25 5.498 -3.665 -3.665
187 1HB LEU 25 HB1 LEU 25 7.460 -5.541 -5.541
188 2HB LEU 25 HB2 LEU 25 6.165 -4.691 -4.691
189 HG LEU 25 HG LEU 25 8.094 -3.156 -3.156
190 1HD1 LEU 25 HD12 LEU 25 9.470 -4.540 -4.540
191 2HD1 LEU 25 HD13 LEU 25 8.536 -3.938 -3.938
192 3HD1 LEU 25 HD11 LEU 25 9.542 -2.832 -2.832
193 1HD2 LEU 25 HD23 LEU 25 6.030 -2.097 -2.097
194 2HD2 LEU 25 HD21 LEU 25 7.507 -1.354 -1.354
195 3HD2 LEU 25 HD22 LEU 25 6.602 -2.481 -2.481
196 H ARG 26 HN ARG 26 6.444 -7.105 -7.105
197 HA ARG 26 HA ARG 26 3.811 -8.008 -8.008
198 1HB ARG 26 HB1 ARG 26 6.034 -9.582 -9.582
199 2HB ARG 26 HB2 ARG 26 4.663 -10.250 -10.250
200 1HG ARG 26 HG1 ARG 26 6.555 -8.294 -8.294
201 2HG ARG 26 HG2 ARG 26 6.926 -10.018 -10.018
202 1HD ARG 26 HD1 ARG 26 5.628 -10.251 -10.251
203 2HD ARG 26 HD2 ARG 26 4.241 -9.880 -9.880
204 HE ARG 26 HE ARG 26 4.286 -7.620 -7.620
205 1HH1 ARG 26 HH11 ARG 26 7.166 -7.063 -7.063
206 2HH1 ARG 26 HH12 ARG 26 7.481 -7.084 -7.084
207 1HH2 ARG 26 HH21 ARG 26 4.539 -8.740 -8.740
208 2HH2 ARG 26 HH22 ARG 26 5.993 -8.035 -8.035
209 H ALA 27 HN ALA 27 5.520 -7.665 -7.665
210 HA ALA 27 HA ALA 27 3.588 -8.981 -8.981
211 1HB ALA 27 HB3 ALA 27 5.989 -8.039 -8.039
212 2HB ALA 27 HB1 ALA 27 5.090 -6.589 -6.589
213 3HB ALA 27 HB2 ALA 27 4.758 -8.121 -8.121
214 H MET 28 HN MET 28 3.742 -5.714 -5.714
215 HA MET 28 HA MET 28 1.669 -4.581 -4.581
216 1HB MET 28 HB1 MET 28 3.385 -3.535 -3.535
217 2HB MET 28 HB2 MET 28 1.954 -3.658 -3.658
218 1HG MET 28 HG1 MET 28 1.609 -2.535 -2.535
219 2HG MET 28 HG2 MET 28 2.392 -1.517 -1.517
220 1HE MET 28 HE3 MET 28 1.561 -0.880 -0.880
221 2HE MET 28 HE1 MET 28 0.995 -2.438 -2.438
222 3HE MET 28 HE2 MET 28 -0.075 -1.038 -1.038
223 H GLU 29 HN GLU 29 1.617 -6.708 -6.708
224 HA GLU 29 HA GLU 29 -1.039 -6.173 -6.173
225 1HB GLU 29 HB1 GLU 29 1.004 -8.233 -8.233
226 2HB GLU 29 HB2 GLU 29 -0.636 -8.882 -8.882
227 1HG GLU 29 HG1 GLU 29 -1.059 -7.890 -7.890
228 2HG GLU 29 HG2 GLU 29 -0.401 -6.348 -6.348
229 H ALA 30 HN ALA 30 0.169 -8.655 -8.655
230 HA ALA 30 HA ALA 30 -2.418 -9.684 -9.684
231 1HB ALA 30 HB3 ALA 30 0.324 -9.958 -9.958
232 2HB ALA 30 HB1 ALA 30 -0.904 -10.132 -10.132
233 3HB ALA 30 HB2 ALA 30 -0.939 -11.178 -11.178
234 H LYS 31 HN LYS 31 -0.315 -7.541 -7.541
235 HA LYS 31 HA LYS 31 -2.232 -6.926 -6.926
236 1HB LYS 31 HB1 LYS 31 0.370 -6.042 -6.042
237 2HB LYS 31 HB2 LYS 31 -0.634 -4.598 -4.598
238 1HG LYS 31 HG1 LYS 31 -1.452 -5.484 -5.484
239 2HG LYS 31 HG2 LYS 31 -0.269 -6.785 -6.785
240 1HD LYS 31 HD1 LYS 31 1.561 -5.272 -5.272
241 2HD LYS 31 HD2 LYS 31 0.527 -3.876 -3.876
242 1HE LYS 31 HE1 LYS 31 0.194 -5.625 -5.625
243 2HE LYS 31 HE2 LYS 31 1.265 -4.224 -4.224
244 1HZ LYS 31 HZ1 LYS 31 -1.632 -4.175 -4.175
245 2HZ LYS 31 HZ2 LYS 31 -0.947 -3.671 -3.671
246 3HZ LYS 31 HZ3 LYS 31 -0.596 -2.832 -2.832
247 H LEU 32 HN LEU 32 -2.062 -5.894 -5.894
248 HA LEU 32 HA LEU 32 -3.502 -3.433 -3.433
249 1HB LEU 32 HB1 LEU 32 -2.349 -3.877 -3.877
250 2HB LEU 32 HB2 LEU 32 -3.182 -5.416 -5.416
251 HG LEU 32 HG LEU 32 -5.314 -4.248 -4.248
252 1HD1 LEU 32 HD12 LEU 32 -3.618 -1.800 -1.800
253 2HD1 LEU 32 HD13 LEU 32 -5.203 -1.709 -1.709
254 3HD1 LEU 32 HD11 LEU 32 -5.054 -2.335 -2.335
255 1HD2 LEU 32 HD22 LEU 32 -2.976 -3.892 -3.892
256 2HD2 LEU 32 HD23 LEU 32 -4.635 -4.290 -4.290
257 3HD2 LEU 32 HD21 LEU 32 -4.158 -2.605 -2.605
258 H LYS 33 HN LYS 33 -4.616 -6.748 -6.748
259 HA LYS 33 HA LYS 33 -7.402 -5.972 -5.972
260 1HB LYS 33 HB1 LYS 33 -5.953 -8.194 -8.194
261 2HB LYS 33 HB2 LYS 33 -6.897 -8.799 -8.799
262 1HG LYS 33 HG1 LYS 33 -8.775 -7.306 -7.306
263 2HG LYS 33 HG2 LYS 33 -7.798 -7.848 -7.848
264 1HD LYS 33 HD1 LYS 33 -9.143 -9.577 -9.577
265 2HD LYS 33 HD2 LYS 33 -9.515 -9.507 -9.507
266 1HE LYS 33 HE1 LYS 33 -6.860 -10.404 -10.404
267 2HE LYS 33 HE2 LYS 33 -8.122 -11.490 -11.490
268 1HZ LYS 33 HZ3 LYS 33 -7.887 -9.926 -9.926
269 2HZ LYS 33 HZ1 LYS 33 -6.308 -9.772 -9.772
270 3HZ LYS 33 HZ2 LYS 33 -6.923 -11.308 -11.308
271 H ALA 34 HN ALA 34 -5.145 -6.921 -6.921
272 HA ALA 34 HA ALA 34 -7.195 -7.739 -7.739
273 1HB ALA 34 HB2 ALA 34 -4.482 -8.147 -8.147
274 2HB ALA 34 HB3 ALA 34 -4.581 -6.924 -6.924
275 3HB ALA 34 HB1 ALA 34 -5.446 -8.450 -8.450
276 H GLU 35 HN GLU 35 -5.523 -4.762 -4.762
277 HA GLU 35 HA GLU 35 -6.507 -3.408 -3.408
278 1HB GLU 35 HB1 GLU 35 -4.305 -2.997 -2.997
279 2HB GLU 35 HB2 GLU 35 -5.404 -1.775 -1.775
280 1HG GLU 35 HG1 GLU 35 -4.641 -0.525 -0.525
281 2HG GLU 35 HG2 GLU 35 -5.799 -1.472 -1.472
282 H ILE 36 HN ILE 36 -7.111 -3.346 -3.346
283 HA ILE 36 HA ILE 36 -8.986 -1.240 -1.240
284 HB ILE 36 HB ILE 36 -7.957 -2.606 -2.606
285 1HG1 ILE 36 HG11 ILE 36 -10.551 -2.344 -2.344
286 2HG1 ILE 36 HG12 ILE 36 -10.467 -1.166 -1.166
287 1HG2 ILE 36 HG22 ILE 36 -8.941 -4.777 -4.777
288 2HG2 ILE 36 HG23 ILE 36 -10.506 -4.196 -4.196
289 3HG2 ILE 36 HG21 ILE 36 -9.201 -4.482 -4.482
290 1HD1 ILE 36 HD11 ILE 36 -7.997 -0.970 -0.970
291 2HD1 ILE 36 HD12 ILE 36 -9.202 -1.093 -1.093
292 3HD1 ILE 36 HD13 ILE 36 -9.328 0.185 0.185
293 H GLN 37 HN GLN 37 -9.367 -4.590 -4.590
294 HA GLN 37 HA GLN 37 -12.104 -4.986 -4.986
295 1HB GLN 37 HB1 GLN 37 -9.927 -6.115 -6.115
296 2HB GLN 37 HB2 GLN 37 -11.095 -5.682 -5.682
297 1HG GLN 37 HG1 GLN 37 -12.570 -6.799 -6.799
298 2HG GLN 37 HG2 GLN 37 -11.192 -7.865 -7.865
299 1HE2 GLN 37 HE22 GLN 37 -12.283 -8.082 -8.082
300 2HE2 GLN 37 HE21 GLN 37 -10.921 -7.417 -7.417
301 H LYS 38 HN LYS 38 -10.285 -2.930 -2.930
302 HA LYS 38 HA LYS 38 -12.535 -1.221 -1.221
303 1HB LYS 38 HB1 LYS 38 -12.979 -3.444 -3.444
304 2HB LYS 38 HB2 LYS 38 -11.823 -2.733 -2.733
305 1HG LYS 38 HG1 LYS 38 -13.329 -1.205 -1.205
306 2HG LYS 38 HG2 LYS 38 -13.811 -0.797 -0.797
307 1HD LYS 38 HD1 LYS 38 -15.331 -2.669 -2.669
308 2HD LYS 38 HD2 LYS 38 -14.714 -3.312 -3.312
309 1HE LYS 38 HE1 LYS 38 -16.471 -2.192 -2.192
310 2HE LYS 38 HE2 LYS 38 -15.440 -0.773 -0.773
311 1HZ LYS 38 HZ2 LYS 38 -16.925 -1.539 -1.539
312 2HZ LYS 38 HZ3 LYS 38 -17.879 -0.999 -0.999
313 3HZ LYS 38 HZ1 LYS 38 -16.662 0.000 0.000
314 1HN NH2 39 1HN NH2 39 -8.801 -0.859 -0.859
315 2HN NH2 39 2HN NH2 39 -9.222 -2.190 -2.190
Start of MODEL 13
1 1H2 SIN 0 1H2 SIN 0 16.665 1.384 1.384
2 2H2 SIN 0 2H2 SIN 0 16.185 1.660 1.660
3 1H3 SIN 0 1H3 SIN 0 15.016 3.000 3.000
4 2H3 SIN 0 2H3 SIN 0 16.026 3.762 3.762
5 H ASP 1 HN ASP 1 13.082 4.192 4.192
6 HA ASP 1 HA ASP 1 11.516 3.849 3.849
7 1HB ASP 1 HB1 ASP 1 13.770 5.517 5.517
8 2HB ASP 1 HB2 ASP 1 12.346 6.557 6.557
9 H TRP 2 HN TRP 2 12.543 6.652 6.652
10 HA TRP 2 HA TRP 2 10.010 7.820 7.820
11 1HB TRP 2 HB1 TRP 2 10.801 8.992 8.992
12 2HB TRP 2 HB2 TRP 2 12.153 8.834 8.834
13 HD1 TRP 2 HD1 TRP 2 13.908 6.880 6.880
14 HE1 TRP 2 HE1 TRP 2 14.686 5.857 5.857
15 HE3 TRP 2 HE3 TRP 2 10.063 8.356 8.356
16 HZ2 TRP 2 HZ2 TRP 2 13.762 5.693 5.693
17 HZ3 TRP 2 HZ3 TRP 2 10.022 7.761 7.761
18 HH2 TRP 2 HH2 TRP 2 11.867 6.429 6.429
19 H LEU 3 HN LEU 3 11.256 4.969 4.969
20 HA LEU 3 HA LEU 3 9.676 4.737 4.737
21 1HB LEU 3 HB1 LEU 3 10.927 2.850 2.850
22 2HB LEU 3 HB2 LEU 3 9.552 2.186 2.186
23 HG LEU 3 HG LEU 3 11.686 1.826 1.826
24 1HD1 LEU 3 HD11 LEU 3 9.283 2.948 2.948
25 2HD1 LEU 3 HD12 LEU 3 10.603 3.736 3.736
26 3HD1 LEU 3 HD13 LEU 3 10.463 1.978 1.978
27 1HD2 LEU 3 HD21 LEU 3 11.839 4.782 4.782
28 2HD2 LEU 3 HD22 LEU 3 13.124 3.575 3.575
29 3HD2 LEU 3 HD23 LEU 3 12.496 4.123 4.123
30 H LYS 4 HN LYS 4 8.786 4.101 4.101
31 HA LYS 4 HA LYS 4 6.233 2.998 2.998
32 1HB LYS 4 HB1 LYS 4 7.698 3.895 3.895
33 2HB LYS 4 HB2 LYS 4 6.331 5.010 5.010
34 1HG LYS 4 HG1 LYS 4 5.082 3.397 3.397
35 2HG LYS 4 HG2 LYS 4 5.259 2.445 2.445
36 1HD LYS 4 HD1 LYS 4 6.465 0.947 0.947
37 2HD LYS 4 HD2 LYS 4 7.698 2.185 2.185
38 1HE LYS 4 HE1 LYS 4 5.330 2.431 2.431
39 2HE LYS 4 HE2 LYS 4 6.304 0.987 0.987
40 1HZ LYS 4 HZ2 LYS 4 7.562 3.646 3.646
41 2HZ LYS 4 HZ3 LYS 4 6.932 3.119 3.119
42 3HZ LYS 4 HZ1 LYS 4 8.175 2.243 2.243
43 H ALA 5 HN ALA 5 7.165 6.440 6.440
44 HA ALA 5 HA ALA 5 4.469 7.397 7.397
45 1HB ALA 5 HB1 ALA 5 6.911 8.566 8.566
46 2HB ALA 5 HB2 ALA 5 6.592 9.126 9.126
47 3HB ALA 5 HB3 ALA 5 5.421 9.437 9.437
48 H ARG 6 HN ARG 6 7.221 6.843 6.843
49 HA ARG 6 HA ARG 6 5.670 7.627 7.627
50 1HB ARG 6 HB1 ARG 6 7.598 7.237 7.237
51 2HB ARG 6 HB2 ARG 6 8.263 7.641 7.641
52 1HG ARG 6 HG1 ARG 6 9.384 5.684 5.684
53 2HG ARG 6 HG2 ARG 6 7.830 4.881 4.881
54 1HD ARG 6 HD1 ARG 6 7.999 5.658 5.658
55 2HD ARG 6 HD2 ARG 6 9.518 4.868 4.868
56 HE ARG 6 HE ARG 6 7.728 3.115 3.115
57 1HH1 ARG 6 HH21 ARG 6 8.286 4.559 4.559
58 2HH1 ARG 6 HH22 ARG 6 7.275 3.449 3.449
59 1HH2 ARG 6 HH11 ARG 6 6.223 1.776 1.776
60 2HH2 ARG 6 HH12 ARG 6 6.109 1.873 1.873
61 H VAL 7 HN VAL 7 5.470 4.943 4.943
62 HA VAL 7 HA VAL 7 4.984 3.033 3.033
63 HB VAL 7 HB VAL 7 4.906 2.798 2.798
64 1HG1 VAL 7 HG13 VAL 7 4.217 0.734 0.734
65 2HG1 VAL 7 HG11 VAL 7 4.478 0.368 0.368
66 3HG1 VAL 7 HG12 VAL 7 3.125 1.390 1.390
67 1HG2 VAL 7 HG23 VAL 7 6.948 2.570 2.570
68 2HG2 VAL 7 HG21 VAL 7 7.035 2.093 2.093
69 3HG2 VAL 7 HG22 VAL 7 6.553 0.917 0.917
70 H GLU 8 HN GLU 8 3.131 4.355 4.355
71 HA GLU 8 HA GLU 8 0.605 3.361 3.361
72 1HB GLU 8 HB1 GLU 8 1.071 5.752 5.752
73 2HB GLU 8 HB2 GLU 8 -0.390 4.769 4.769
74 1HG GLU 8 HG1 GLU 8 1.313 2.806 2.806
75 2HG GLU 8 HG2 GLU 8 2.249 4.130 4.130
76 H GLN 9 HN GLN 9 2.414 6.338 6.338
77 HA GLN 9 HA GLN 9 0.297 7.819 7.819
78 1HB GLN 9 HB1 GLN 9 2.986 8.278 8.278
79 2HB GLN 9 HB2 GLN 9 2.913 8.415 8.415
80 1HG GLN 9 HG1 GLN 9 1.789 10.372 10.372
81 2HG GLN 9 HG2 GLN 9 0.639 9.715 9.715
82 1HE2 GLN 9 HE22 GLN 9 2.187 11.300 11.300
83 2HE2 GLN 9 HE21 GLN 9 0.851 10.439 10.439
84 H GLU 10 HN GLU 10 2.515 5.370 5.370
85 HA GLU 10 HA GLU 10 1.963 5.852 5.852
86 1HB GLU 10 HB1 GLU 10 3.627 4.062 4.062
87 2HB GLU 10 HB2 GLU 10 2.841 3.211 3.211
88 1HG GLU 10 HG1 GLU 10 3.916 5.850 5.850
89 2HG GLU 10 HG2 GLU 10 5.149 4.698 4.698
90 H LEU 11 HN LEU 11 1.098 3.122 3.122
91 HA LEU 11 HA LEU 11 -0.769 1.933 1.933
92 1HB LEU 11 HB1 LEU 11 -0.606 1.910 1.910
93 2HB LEU 11 HB2 LEU 11 -1.734 0.911 0.911
94 HG LEU 11 HG LEU 11 0.936 0.696 0.696
95 1HD1 LEU 11 HD11 LEU 11 0.588 0.057 0.057
96 2HD1 LEU 11 HD12 LEU 11 1.931 -0.512 -0.512
97 3HD1 LEU 11 HD13 LEU 11 1.721 1.214 1.214
98 1HD2 LEU 11 HD22 LEU 11 -1.334 -0.848 -0.848
99 2HD2 LEU 11 HD23 LEU 11 0.230 -1.446 -1.446
100 3HD2 LEU 11 HD21 LEU 11 -0.227 -1.607 -1.607
101 H GLN 12 HN GLN 12 -1.059 4.710 4.710
102 HA GLN 12 HA GLN 12 -3.962 4.754 4.754
103 1HB GLN 12 HB1 GLN 12 -2.724 5.906 5.906
104 2HB GLN 12 HB2 GLN 12 -1.904 6.911 6.911
105 1HG GLN 12 HG1 GLN 12 -3.828 8.070 8.070
106 2HG GLN 12 HG2 GLN 12 -4.009 7.956 7.956
107 1HE2 GLN 12 HE22 GLN 12 -7.242 6.662 6.662
108 2HE2 GLN 12 HE21 GLN 12 -6.362 7.977 7.977
109 H ALA 13 HN ALA 13 -1.481 5.960 5.960
110 HA ALA 13 HA ALA 13 -3.122 7.855 7.855
111 1HB ALA 13 HB3 ALA 13 -0.460 6.752 6.752
112 2HB ALA 13 HB1 ALA 13 -1.224 6.807 6.807
113 3HB ALA 13 HB2 ALA 13 -1.080 8.279 8.279
114 H LEU 14 HN LEU 14 -3.166 4.448 4.448
115 HA LEU 14 HA LEU 14 -4.278 4.156 4.156
116 1HB LEU 14 HB1 LEU 14 -3.430 2.295 2.295
117 2HB LEU 14 HB2 LEU 14 -4.614 1.717 1.717
118 HG LEU 14 HG LEU 14 -1.900 2.902 2.902
119 1HD1 LEU 14 HD13 LEU 14 -2.816 0.203 0.203
120 2HD1 LEU 14 HD11 LEU 14 -2.100 0.298 0.298
121 3HD1 LEU 14 HD12 LEU 14 -1.171 0.806 0.806
122 1HD2 LEU 14 HD23 LEU 14 -4.320 2.476 2.476
123 2HD2 LEU 14 HD21 LEU 14 -2.818 3.267 3.267
124 3HD2 LEU 14 HD22 LEU 14 -2.985 1.519 1.519
125 H GLU 15 HN GLU 15 -5.346 4.058 4.058
126 HA GLU 15 HA GLU 15 -8.098 3.376 3.376
127 1HB GLU 15 HB1 GLU 15 -6.751 3.986 3.986
128 2HB GLU 15 HB2 GLU 15 -8.498 3.781 3.781
129 1HG GLU 15 HG1 GLU 15 -8.315 1.525 1.525
130 2HG GLU 15 HG2 GLU 15 -6.662 1.710 1.710
131 H ALA 16 HN ALA 16 -6.236 6.204 6.204
132 HA ALA 16 HA ALA 16 -8.286 8.035 8.035
133 1HB ALA 16 HB2 ALA 16 -5.784 8.495 8.495
134 2HB ALA 16 HB3 ALA 16 -6.795 9.781 9.781
135 3HB ALA 16 HB1 ALA 16 -5.939 8.687 8.687
136 H ARG 17 HN ARG 17 -8.067 6.186 6.186
137 HA ARG 17 HA ARG 17 -10.060 7.920 7.920
138 1HB ARG 17 HB1 ARG 17 -8.855 7.469 7.469
139 2HB ARG 17 HB2 ARG 17 -8.051 8.604 8.604
140 1HG ARG 17 HG1 ARG 17 -6.587 6.805 6.805
141 2HG ARG 17 HG2 ARG 17 -7.417 5.643 5.643
142 1HD ARG 17 HD1 ARG 17 -6.783 7.279 7.279
143 2HD ARG 17 HD2 ARG 17 -5.604 7.918 7.918
144 HE ARG 17 HE ARG 17 -5.465 5.025 5.025
145 1HH1 ARG 17 HH21 ARG 17 -4.915 7.805 7.805
146 2HH1 ARG 17 HH22 ARG 17 -3.370 7.277 7.277
147 1HH2 ARG 17 HH11 ARG 17 -3.317 4.418 4.418
148 2HH2 ARG 17 HH12 ARG 17 -2.463 5.360 5.360
149 H GLY 18 HN GLY 18 -11.042 5.843 5.843
150 1HA GLY 18 HA1 GLY 18 -11.910 4.063 4.063
151 2HA GLY 18 HA2 GLY 18 -10.777 3.246 3.246
152 H THR 19 HN THR 19 -13.723 2.846 2.846
153 HA THR 19 HA THR 19 -14.579 3.341 3.341
154 HB THR 19 HB THR 19 -16.849 3.563 3.563
155 HG1 THR 19 HG1 THR 19 -15.754 2.528 2.528
156 1HG2 THR 19 HG23 THR 19 -14.909 5.365 5.365
157 2HG2 THR 19 HG21 THR 19 -15.595 5.068 5.068
158 3HG2 THR 19 HG22 THR 19 -16.627 5.643 5.643
159 H ASP 20 HN ASP 20 -13.162 1.010 1.010
160 HA ASP 20 HA ASP 20 -14.990 -1.074 -1.074
161 1HB ASP 20 HB1 ASP 20 -14.986 -0.728 -0.728
162 2HB ASP 20 HB2 ASP 20 -13.527 -1.712 -1.712
163 H SER 21 HN SER 21 -13.082 -0.476 -0.476
164 HA SER 21 HA SER 21 -11.291 -2.720 -2.720
165 1HB SER 21 HB1 SER 21 -10.240 -0.052 -0.052
166 2HB SER 21 HB2 SER 21 -9.193 -1.164 -1.164
167 HG SER 21 HG SER 21 -9.903 -2.778 -2.778
168 H ASN 22 HN ASN 22 -13.185 -1.150 -1.150
169 HA ASN 22 HA ASN 22 -11.370 -0.202 -0.202
170 1HB ASN 22 HB1 ASN 22 -14.153 0.325 0.325
171 2HB ASN 22 HB2 ASN 22 -13.948 0.085 0.085
172 1HD2 ASN 22 HD22 ASN 22 -11.642 3.083 3.083
173 2HD2 ASN 22 HD21 ASN 22 -11.770 1.601 1.601
174 H ALA 23 HN ALA 23 -12.023 -3.074 -3.074
175 HA ALA 23 HA ALA 23 -12.799 -4.082 -4.082
176 1HB ALA 23 HB3 ALA 23 -14.178 -4.557 -4.557
177 2HB ALA 23 HB1 ALA 23 -13.024 -5.889 -5.889
178 3HB ALA 23 HB2 ALA 23 -14.093 -5.716 -5.716
179 H GLU 24 HN GLU 24 -10.612 -4.421 -4.421
180 HA GLU 24 HA GLU 24 -9.129 -6.589 -6.589
181 1HB GLU 24 HB1 GLU 24 -8.481 -5.006 -5.006
182 2HB GLU 24 HB2 GLU 24 -7.726 -6.520 -6.520
183 1HG GLU 24 HG1 GLU 24 -10.190 -7.424 -7.424
184 2HG GLU 24 HG2 GLU 24 -10.513 -6.037 -6.037
185 H LEU 25 HN LEU 25 -9.315 -3.823 -3.823
186 HA LEU 25 HA LEU 25 -6.615 -2.725 -2.725
187 1HB LEU 25 HB1 LEU 25 -9.102 -2.040 -2.040
188 2HB LEU 25 HB2 LEU 25 -7.569 -1.442 -1.442
189 HG LEU 25 HG LEU 25 -7.761 -1.102 -1.102
190 1HD1 LEU 25 HD13 LEU 25 -10.202 -0.903 -0.903
191 2HD1 LEU 25 HD11 LEU 25 -9.693 0.531 0.531
192 3HD1 LEU 25 HD12 LEU 25 -9.538 0.483 0.483
193 1HD2 LEU 25 HD22 LEU 25 -6.160 -0.025 -0.025
194 2HD2 LEU 25 HD23 LEU 25 -6.946 1.095 1.095
195 3HD2 LEU 25 HD21 LEU 25 -7.516 0.958 0.958
196 H ARG 26 HN ARG 26 -8.176 -5.127 -5.127
197 HA ARG 26 HA ARG 26 -6.377 -4.949 -4.949
198 1HB ARG 26 HB1 ARG 26 -8.713 -6.457 -6.457
199 2HB ARG 26 HB2 ARG 26 -7.453 -7.570 -7.570
200 1HG ARG 26 HG1 ARG 26 -8.802 -6.809 -6.809
201 2HG ARG 26 HG2 ARG 26 -7.148 -6.211 -6.211
202 1HD ARG 26 HD1 ARG 26 -8.843 -4.450 -4.450
203 2HD ARG 26 HD2 ARG 26 -7.832 -4.035 -4.035
204 HE ARG 26 HE ARG 26 -10.141 -5.380 -5.380
205 1HH1 ARG 26 HH11 ARG 26 -9.099 -2.661 -2.661
206 2HH1 ARG 26 HH12 ARG 26 -10.425 -1.634 -1.634
207 1HH2 ARG 26 HH21 ARG 26 -11.913 -3.978 -3.978
208 2HH2 ARG 26 HH22 ARG 26 -12.018 -2.380 -2.380
209 H ALA 27 HN ALA 27 -6.519 -6.886 -6.886
210 HA ALA 27 HA ALA 27 -4.357 -8.638 -8.638
211 1HB ALA 27 HB3 ALA 27 -6.062 -8.852 -8.852
212 2HB ALA 27 HB1 ALA 27 -5.039 -7.720 -7.720
213 3HB ALA 27 HB2 ALA 27 -4.394 -9.281 -9.281
214 H MET 28 HN MET 28 -4.444 -5.320 -5.320
215 HA MET 28 HA MET 28 -1.748 -5.227 -5.227
216 1HB MET 28 HB1 MET 28 -3.444 -3.526 -3.526
217 2HB MET 28 HB2 MET 28 -3.490 -2.998 -2.998
218 1HG MET 28 HG1 MET 28 -1.024 -2.514 -2.514
219 2HG MET 28 HG2 MET 28 -1.122 -2.869 -2.869
220 1HE MET 28 HE2 MET 28 -2.893 -1.016 -1.016
221 2HE MET 28 HE3 MET 28 -1.339 -0.204 -0.204
222 3HE MET 28 HE1 MET 28 -2.840 0.666 0.666
223 H GLU 29 HN GLU 29 -3.120 -5.200 -5.200
224 HA GLU 29 HA GLU 29 -1.112 -3.784 -3.784
225 1HB GLU 29 HB1 GLU 29 -3.250 -4.537 -4.537
226 2HB GLU 29 HB2 GLU 29 -2.692 -6.208 -6.208
227 1HG GLU 29 HG1 GLU 29 -0.728 -5.573 -5.573
228 2HG GLU 29 HG2 GLU 29 -1.421 -3.960 -3.960
229 H ALA 30 HN ALA 30 -1.369 -7.320 -7.320
230 HA ALA 30 HA ALA 30 1.224 -7.883 -7.883
231 1HB ALA 30 HB3 ALA 30 -0.681 -9.528 -9.528
232 2HB ALA 30 HB1 ALA 30 -0.262 -9.530 -9.530
233 3HB ALA 30 HB2 ALA 30 0.906 -10.098 -10.098
234 H LYS 31 HN LYS 31 0.060 -7.519 -7.519
235 HA LYS 31 HA LYS 31 2.554 -7.995 -7.995
236 1HB LYS 31 HB1 LYS 31 -0.036 -7.270 -7.270
237 2HB LYS 31 HB2 LYS 31 1.008 -5.971 -5.971
238 1HG LYS 31 HG1 LYS 31 2.539 -8.072 -8.072
239 2HG LYS 31 HG2 LYS 31 0.960 -8.856 -8.856
240 1HD LYS 31 HD1 LYS 31 0.144 -7.150 -7.150
241 2HD LYS 31 HD2 LYS 31 1.667 -6.268 -6.268
242 1HE LYS 31 HE1 LYS 31 2.095 -9.068 -9.068
243 2HE LYS 31 HE2 LYS 31 1.061 -8.258 -8.258
244 1HZ LYS 31 HZ2 LYS 31 3.511 -6.935 -6.935
245 2HZ LYS 31 HZ3 LYS 31 3.616 -8.134 -8.134
246 3HZ LYS 31 HZ1 LYS 31 2.687 -6.742 -6.742
247 H LEU 32 HN LEU 32 1.524 -5.347 -5.347
248 HA LEU 32 HA LEU 32 2.931 -3.180 -3.180
249 1HB LEU 32 HB1 LEU 32 1.432 -2.926 -2.926
250 2HB LEU 32 HB2 LEU 32 2.556 -3.845 -3.845
251 HG LEU 32 HG LEU 32 4.146 -1.869 -1.869
252 1HD1 LEU 32 HD13 LEU 32 1.876 -0.838 -0.838
253 2HD1 LEU 32 HD11 LEU 32 1.657 -0.530 -0.530
254 3HD1 LEU 32 HD12 LEU 32 3.010 0.204 0.204
255 1HD2 LEU 32 HD21 LEU 32 3.801 -2.862 -2.862
256 2HD2 LEU 32 HD22 LEU 32 4.552 -1.283 -1.283
257 3HD2 LEU 32 HD23 LEU 32 2.850 -1.391 -1.391
258 H LYS 33 HN LYS 33 4.142 -5.169 -5.169
259 HA LYS 33 HA LYS 33 6.843 -4.294 -4.294
260 1HB LYS 33 HB1 LYS 33 5.592 -6.672 -6.672
261 2HB LYS 33 HB2 LYS 33 7.337 -6.408 -6.408
262 1HG LYS 33 HG1 LYS 33 7.039 -4.223 -4.223
263 2HG LYS 33 HG2 LYS 33 5.286 -4.378 -4.378
264 1HD LYS 33 HD1 LYS 33 5.214 -6.056 -6.056
265 2HD LYS 33 HD2 LYS 33 6.919 -6.459 -6.459
266 1HE LYS 33 HE1 LYS 33 7.353 -4.024 -4.024
267 2HE LYS 33 HE2 LYS 33 5.693 -4.088 -4.088
268 1HZ LYS 33 HZ3 LYS 33 7.821 -6.044 -6.044
269 2HZ LYS 33 HZ1 LYS 33 7.308 -4.776 -4.776
270 3HZ LYS 33 HZ2 LYS 33 6.234 -6.033 -6.033
271 H ALA 34 HN ALA 34 5.013 -6.917 -6.917
272 HA ALA 34 HA ALA 34 7.142 -8.506 -8.506
273 1HB ALA 34 HB1 ALA 34 4.398 -8.524 -8.524
274 2HB ALA 34 HB2 ALA 34 4.937 -8.145 -8.145
275 3HB ALA 34 HB3 ALA 34 5.504 -9.612 -9.612
276 H GLU 35 HN GLU 35 5.832 -5.453 -5.453
277 HA GLU 35 HA GLU 35 7.393 -5.544 -5.544
278 1HB GLU 35 HB1 GLU 35 5.196 -4.099 -4.099
279 2HB GLU 35 HB2 GLU 35 6.488 -2.901 -2.901
280 1HG GLU 35 HG1 GLU 35 6.568 -4.589 -4.589
281 2HG GLU 35 HG2 GLU 35 5.111 -3.603 -3.603
282 H ILE 36 HN ILE 36 7.691 -3.988 -3.988
283 HA ILE 36 HA ILE 36 9.826 -2.258 -2.258
284 HB ILE 36 HB ILE 36 9.490 -4.135 -4.135
285 1HG1 ILE 36 HG11 ILE 36 8.505 -1.295 -1.295
286 2HG1 ILE 36 HG12 ILE 36 7.490 -2.735 -2.735
287 1HG2 ILE 36 HG23 ILE 36 11.540 -2.264 -2.264
288 2HG2 ILE 36 HG21 ILE 36 10.583 -1.563 -1.563
289 3HG2 ILE 36 HG22 ILE 36 11.327 -3.149 -3.149
290 1HD1 ILE 36 HD11 ILE 36 8.583 -3.177 -3.177
291 2HD1 ILE 36 HD12 ILE 36 8.768 -1.423 -1.423
292 3HD1 ILE 36 HD13 ILE 36 7.165 -2.144 -2.144
293 H GLN 37 HN GLN 37 9.897 -5.777 -5.777
294 HA GLN 37 HA GLN 37 12.778 -5.974 -5.974
295 1HB GLN 37 HB1 GLN 37 10.898 -7.746 -7.746
296 2HB GLN 37 HB2 GLN 37 11.064 -8.172 -8.172
297 1HG GLN 37 HG1 GLN 37 13.584 -7.827 -7.827
298 2HG GLN 37 HG2 GLN 37 12.615 -9.256 -9.256
299 1HE2 GLN 37 HE22 GLN 37 14.288 -10.775 -10.775
300 2HE2 GLN 37 HE21 GLN 37 14.052 -10.770 -10.770
301 H LYS 38 HN LYS 38 10.545 -7.085 -7.085
302 HA LYS 38 HA LYS 38 12.434 -7.185 -7.185
303 1HB LYS 38 HB1 LYS 38 9.546 -6.331 -6.331
304 2HB LYS 38 HB2 LYS 38 10.570 -7.126 -7.126
305 1HG LYS 38 HG1 LYS 38 10.777 -8.908 -8.908
306 2HG LYS 38 HG2 LYS 38 9.169 -8.268 -8.268
307 1HD LYS 38 HD1 LYS 38 8.279 -9.360 -9.360
308 2HD LYS 38 HD2 LYS 38 9.542 -8.769 -8.769
309 1HE LYS 38 HE1 LYS 38 10.033 -11.006 -11.006
310 2HE LYS 38 HE2 LYS 38 9.423 -11.313 -11.313
311 1HZ LYS 38 HZ1 LYS 38 11.451 -9.712 -9.712
312 2HZ LYS 38 HZ2 LYS 38 12.055 -10.420 -10.420
313 3HZ LYS 38 HZ3 LYS 38 11.615 -11.397 -11.397
314 1HN NH2 39 1HN NH2 39 10.714 -3.598 -3.598
315 2HN NH2 39 2HN NH2 39 11.948 -3.965 -3.965
Start of MODEL 14
1 1H2 SIN 0 1H2 SIN 0 12.213 1.348 1.348
2 2H2 SIN 0 2H2 SIN 0 12.272 0.007 0.007
3 1H3 SIN 0 1H3 SIN 0 12.862 1.716 1.716
4 2H3 SIN 0 2H3 SIN 0 14.467 1.316 1.316
5 H ASP 1 HN ASP 1 12.561 4.200 4.200
6 HA ASP 1 HA ASP 1 11.229 3.692 3.692
7 1HB ASP 1 HB1 ASP 1 13.315 4.533 4.533
8 2HB ASP 1 HB2 ASP 1 13.111 6.063 6.063
9 H TRP 2 HN TRP 2 12.230 6.265 6.265
10 HA TRP 2 HA TRP 2 10.072 8.014 8.014
11 1HB TRP 2 HB1 TRP 2 10.580 8.825 8.825
12 2HB TRP 2 HB2 TRP 2 12.107 8.369 8.369
13 HD1 TRP 2 HD1 TRP 2 13.030 5.887 5.887
14 HE1 TRP 2 HE1 TRP 2 12.874 4.560 4.560
15 HE3 TRP 2 HE3 TRP 2 9.209 8.396 8.396
16 HZ2 TRP 2 HZ2 TRP 2 11.303 4.573 4.573
17 HZ3 TRP 2 HZ3 TRP 2 8.395 7.730 7.730
18 HH2 TRP 2 HH2 TRP 2 9.438 5.820 5.820
19 H LEU 3 HN LEU 3 10.271 4.972 4.972
20 HA LEU 3 HA LEU 3 7.970 5.138 5.138
21 1HB LEU 3 HB1 LEU 3 9.435 2.876 2.876
22 2HB LEU 3 HB2 LEU 3 7.882 2.551 2.551
23 HG LEU 3 HG LEU 3 9.228 4.183 4.183
24 1HD1 LEU 3 HD12 LEU 3 11.245 3.539 3.539
25 2HD1 LEU 3 HD13 LEU 3 11.139 1.984 1.984
26 3HD1 LEU 3 HD11 LEU 3 11.437 3.455 3.455
27 1HD2 LEU 3 HD23 LEU 3 8.096 1.568 1.568
28 2HD2 LEU 3 HD21 LEU 3 8.412 2.517 2.517
29 3HD2 LEU 3 HD22 LEU 3 9.647 1.425 1.425
30 H LYS 4 HN LYS 4 8.223 4.421 4.421
31 HA LYS 4 HA LYS 4 5.584 3.478 3.478
32 1HB LYS 4 HB1 LYS 4 7.740 4.571 4.571
33 2HB LYS 4 HB2 LYS 4 6.148 5.033 5.033
34 1HG LYS 4 HG1 LYS 4 6.199 2.984 2.984
35 2HG LYS 4 HG2 LYS 4 5.738 2.397 2.397
36 1HD LYS 4 HD1 LYS 4 7.777 1.459 1.459
37 2HD LYS 4 HD2 LYS 4 8.631 2.841 2.841
38 1HE LYS 4 HE1 LYS 4 7.138 0.835 0.835
39 2HE LYS 4 HE2 LYS 4 8.842 0.644 0.644
40 1HZ LYS 4 HZ2 LYS 4 8.916 3.117 3.117
41 2HZ LYS 4 HZ3 LYS 4 7.557 2.618 2.618
42 3HZ LYS 4 HZ1 LYS 4 9.036 1.810 1.810
43 H ALA 5 HN ALA 5 6.815 6.772 6.772
44 HA ALA 5 HA ALA 5 4.242 7.983 7.983
45 1HB ALA 5 HB3 ALA 5 6.458 9.124 9.124
46 2HB ALA 5 HB1 ALA 5 6.618 9.239 9.239
47 3HB ALA 5 HB2 ALA 5 5.305 10.082 10.082
48 H ARG 6 HN ARG 6 6.068 7.293 7.293
49 HA ARG 6 HA ARG 6 3.978 8.431 8.431
50 1HB ARG 6 HB1 ARG 6 5.363 7.861 7.861
51 2HB ARG 6 HB2 ARG 6 6.471 8.347 8.347
52 1HG ARG 6 HG1 ARG 6 7.506 6.363 6.363
53 2HG ARG 6 HG2 ARG 6 6.111 5.621 5.621
54 1HD ARG 6 HD1 ARG 6 4.990 5.518 5.518
55 2HD ARG 6 HD2 ARG 6 6.485 6.107 6.107
56 HE ARG 6 HE ARG 6 7.085 3.817 3.817
57 1HH1 ARG 6 HH21 ARG 6 4.454 3.307 3.307
58 2HH1 ARG 6 HH22 ARG 6 5.124 2.442 2.442
59 1HH2 ARG 6 HH11 ARG 6 8.396 3.337 3.337
60 2HH2 ARG 6 HH12 ARG 6 7.355 2.458 2.458
61 H VAL 7 HN VAL 7 4.168 5.595 5.595
62 HA VAL 7 HA VAL 7 2.865 3.929 3.929
63 HB VAL 7 HB VAL 7 3.804 3.410 3.410
64 1HG1 VAL 7 HG12 VAL 7 1.771 1.993 1.993
65 2HG1 VAL 7 HG13 VAL 7 3.069 0.957 0.957
66 3HG1 VAL 7 HG11 VAL 7 2.106 1.903 1.903
67 1HG2 VAL 7 HG23 VAL 7 5.126 3.330 3.330
68 2HG2 VAL 7 HG21 VAL 7 5.570 2.366 2.366
69 3HG2 VAL 7 HG22 VAL 7 4.564 1.664 1.664
70 H GLU 8 HN GLU 8 2.114 5.466 5.466
71 HA GLU 8 HA GLU 8 -0.538 4.446 4.446
72 1HB GLU 8 HB1 GLU 8 0.574 7.105 7.105
73 2HB GLU 8 HB2 GLU 8 -0.900 6.334 6.334
74 1HG GLU 8 HG1 GLU 8 0.360 4.470 4.470
75 2HG GLU 8 HG2 GLU 8 1.842 5.046 5.046
76 H GLN 9 HN GLN 9 0.442 7.716 7.716
77 HA GLN 9 HA GLN 9 -2.046 8.595 8.595
78 1HB GLN 9 HB1 GLN 9 -0.851 10.110 10.110
79 2HB GLN 9 HB2 GLN 9 0.070 9.950 9.950
80 1HG GLN 9 HG1 GLN 9 1.637 8.456 8.456
81 2HG GLN 9 HG2 GLN 9 0.610 8.244 8.244
82 1HE2 GLN 9 HE22 GLN 9 2.927 10.678 10.678
83 2HE2 GLN 9 HE21 GLN 9 2.678 9.005 9.005
84 H GLU 10 HN GLU 10 0.056 6.197 6.197
85 HA GLU 10 HA GLU 10 -1.102 6.213 6.213
86 1HB GLU 10 HB1 GLU 10 0.785 4.563 4.563
87 2HB GLU 10 HB2 GLU 10 -0.215 3.623 3.623
88 1HG GLU 10 HG1 GLU 10 1.411 6.080 6.080
89 2HG GLU 10 HG2 GLU 10 1.836 4.414 4.414
90 H LEU 11 HN LEU 11 -1.493 3.754 3.754
91 HA LEU 11 HA LEU 11 -3.789 2.561 2.561
92 1HB LEU 11 HB1 LEU 11 -3.083 2.542 2.542
93 2HB LEU 11 HB2 LEU 11 -4.034 1.343 1.343
94 HG LEU 11 HG LEU 11 -1.421 1.797 1.797
95 1HD1 LEU 11 HD11 LEU 11 -1.033 2.185 2.185
96 2HD1 LEU 11 HD12 LEU 11 -1.363 0.460 0.460
97 3HD1 LEU 11 HD13 LEU 11 -0.007 1.007 1.007
98 1HD2 LEU 11 HD23 LEU 11 -3.275 -0.151 -0.151
99 2HD2 LEU 11 HD21 LEU 11 -1.572 -0.470 -0.470
100 3HD2 LEU 11 HD22 LEU 11 -2.240 -0.798 -0.798
101 H GLN 12 HN GLN 12 -3.458 5.525 5.525
102 HA GLN 12 HA GLN 12 -6.177 5.566 5.566
103 1HB GLN 12 HB1 GLN 12 -4.109 6.845 6.845
104 2HB GLN 12 HB2 GLN 12 -4.429 7.989 7.989
105 1HG GLN 12 HG1 GLN 12 -6.678 8.387 8.387
106 2HG GLN 12 HG2 GLN 12 -6.479 7.132 7.132
107 1HE2 GLN 12 HE22 GLN 12 -5.744 10.256 10.256
108 2HE2 GLN 12 HE21 GLN 12 -7.097 9.439 9.439
109 H ALA 13 HN ALA 13 -4.457 7.180 7.180
110 HA ALA 13 HA ALA 13 -6.675 8.642 8.642
111 1HB ALA 13 HB2 ALA 13 -4.107 8.601 8.601
112 2HB ALA 13 HB3 ALA 13 -4.676 7.468 7.468
113 3HB ALA 13 HB1 ALA 13 -5.332 9.104 9.104
114 H LEU 14 HN LEU 14 -5.814 5.259 5.259
115 HA LEU 14 HA LEU 14 -7.505 4.669 4.669
116 1HB LEU 14 HB1 LEU 14 -5.807 3.215 3.215
117 2HB LEU 14 HB2 LEU 14 -7.364 2.393 2.393
118 HG LEU 14 HG LEU 14 -5.855 1.574 1.574
119 1HD1 LEU 14 HD13 LEU 14 -8.393 2.055 2.055
120 2HD1 LEU 14 HD11 LEU 14 -7.828 3.373 3.373
121 3HD1 LEU 14 HD12 LEU 14 -7.388 1.707 1.707
122 1HD2 LEU 14 HD21 LEU 14 -4.575 3.796 3.796
123 2HD2 LEU 14 HD22 LEU 14 -4.877 3.014 3.014
124 3HD2 LEU 14 HD23 LEU 14 -5.868 4.383 4.383
125 H GLU 15 HN GLU 15 -8.036 3.766 3.766
126 HA GLU 15 HA GLU 15 -10.826 3.245 3.245
127 1HB GLU 15 HB1 GLU 15 -10.892 3.528 3.528
128 2HB GLU 15 HB2 GLU 15 -9.778 2.307 2.307
129 1HG GLU 15 HG1 GLU 15 -7.891 3.666 3.666
130 2HG GLU 15 HG2 GLU 15 -8.857 5.140 5.140
131 H ALA 16 HN ALA 16 -9.115 6.182 6.182
132 HA ALA 16 HA ALA 16 -10.874 7.948 7.948
133 1HB ALA 16 HB2 ALA 16 -8.590 8.402 8.402
134 2HB ALA 16 HB3 ALA 16 -9.569 8.692 8.692
135 3HB ALA 16 HB1 ALA 16 -9.803 9.684 9.684
136 H ARG 17 HN ARG 17 -11.255 6.270 6.270
137 HA ARG 17 HA ARG 17 -14.057 6.946 6.946
138 1HB ARG 17 HB1 ARG 17 -13.865 8.149 8.149
139 2HB ARG 17 HB2 ARG 17 -13.366 9.082 9.082
140 1HG ARG 17 HG1 ARG 17 -11.200 9.159 9.159
141 2HG ARG 17 HG2 ARG 17 -11.208 7.468 7.468
142 1HD ARG 17 HD1 ARG 17 -11.310 8.177 8.177
143 2HD ARG 17 HD2 ARG 17 -12.919 8.813 8.813
144 HE ARG 17 HE ARG 17 -10.565 10.403 10.403
145 1HH1 ARG 17 HH21 ARG 17 -13.659 10.195 10.195
146 2HH1 ARG 17 HH22 ARG 17 -13.658 11.831 11.831
147 1HH2 ARG 17 HH11 ARG 17 -10.428 12.486 12.486
148 2HH2 ARG 17 HH12 ARG 17 -11.830 13.127 13.127
149 H GLY 18 HN GLY 18 -12.981 4.487 4.487
150 1HA GLY 18 HA1 GLY 18 -13.234 3.591 3.591
151 2HA GLY 18 HA2 GLY 18 -12.050 2.866 2.866
152 H THR 19 HN THR 19 -13.747 2.829 2.829
153 HA THR 19 HA THR 19 -15.179 1.258 1.258
154 HB THR 19 HB THR 19 -17.427 1.368 1.368
155 HG1 THR 19 HG1 THR 19 -17.497 0.819 0.819
156 1HG2 THR 19 HG23 THR 19 -16.353 3.568 3.568
157 2HG2 THR 19 HG21 THR 19 -16.163 3.901 3.901
158 3HG2 THR 19 HG22 THR 19 -17.776 3.715 3.715
159 H ASP 20 HN ASP 20 -13.223 0.318 0.318
160 HA ASP 20 HA ASP 20 -14.437 -2.374 -2.374
161 1HB ASP 20 HB1 ASP 20 -14.544 -0.734 -0.734
162 2HB ASP 20 HB2 ASP 20 -12.910 -1.362 -1.362
163 H SER 21 HN SER 21 -12.547 -1.726 -1.726
164 HA SER 21 HA SER 21 -10.484 -3.592 -3.592
165 1HB SER 21 HB1 SER 21 -8.731 -2.488 -2.488
166 2HB SER 21 HB2 SER 21 -9.982 -1.428 -1.428
167 HG SER 21 HG SER 21 -8.223 -0.378 -0.378
168 H ASN 22 HN ASN 22 -12.251 -2.552 -2.552
169 HA ASN 22 HA ASN 22 -10.422 -1.288 -1.288
170 1HB ASN 22 HB1 ASN 22 -12.971 -0.780 -0.780
171 2HB ASN 22 HB2 ASN 22 -13.202 -2.241 -2.241
172 1HD2 ASN 22 HD22 ASN 22 -12.116 -0.734 -0.734
173 2HD2 ASN 22 HD21 ASN 22 -12.539 -2.184 -2.184
174 H ALA 23 HN ALA 23 -10.314 -4.169 -4.169
175 HA ALA 23 HA ALA 23 -10.169 -5.486 -5.486
176 1HB ALA 23 HB2 ALA 23 -11.166 -6.489 -6.489
177 2HB ALA 23 HB3 ALA 23 -10.462 -7.628 -7.628
178 3HB ALA 23 HB1 ALA 23 -11.879 -6.681 -6.681
179 H GLU 24 HN GLU 24 -8.765 -5.233 -5.233
180 HA GLU 24 HA GLU 24 -6.540 -6.966 -6.966
181 1HB GLU 24 HB1 GLU 24 -5.607 -6.044 -6.044
182 2HB GLU 24 HB2 GLU 24 -7.343 -6.262 -6.262
183 1HG GLU 24 HG1 GLU 24 -7.771 -3.936 -3.936
184 2HG GLU 24 HG2 GLU 24 -6.163 -3.643 -3.643
185 H LEU 25 HN LEU 25 -7.278 -3.977 -3.977
186 HA LEU 25 HA LEU 25 -4.755 -2.654 -2.654
187 1HB LEU 25 HB1 LEU 25 -7.058 -2.660 -2.660
188 2HB LEU 25 HB2 LEU 25 -5.633 -1.642 -1.642
189 HG LEU 25 HG LEU 25 -6.715 -1.494 -1.494
190 1HD1 LEU 25 HD11 LEU 25 -8.806 -1.902 -1.902
191 2HD1 LEU 25 HD12 LEU 25 -8.443 -0.398 -0.398
192 3HD1 LEU 25 HD13 LEU 25 -8.781 -0.377 -0.377
193 1HD2 LEU 25 HD23 LEU 25 -5.313 0.094 0.094
194 2HD2 LEU 25 HD21 LEU 25 -5.694 0.503 0.503
195 3HD2 LEU 25 HD22 LEU 25 -6.805 0.954 0.954
196 H ARG 26 HN ARG 26 -6.158 -4.992 -4.992
197 HA ARG 26 HA ARG 26 -3.888 -5.032 -5.032
198 1HB ARG 26 HB1 ARG 26 -6.414 -6.285 -6.285
199 2HB ARG 26 HB2 ARG 26 -5.229 -7.591 -7.591
200 1HG ARG 26 HG1 ARG 26 -5.620 -7.116 -7.116
201 2HG ARG 26 HG2 ARG 26 -4.117 -6.266 -6.266
202 1HD ARG 26 HD1 ARG 26 -6.571 -4.710 -4.710
203 2HD ARG 26 HD2 ARG 26 -6.306 -5.103 -5.103
204 HE ARG 26 HE ARG 26 -3.869 -4.157 -4.157
205 1HH1 ARG 26 HH21 ARG 26 -6.197 -3.115 -3.115
206 2HH1 ARG 26 HH22 ARG 26 -6.101 -1.435 -1.435
207 1HH2 ARG 26 HH11 ARG 26 -4.091 -1.956 -1.956
208 2HH2 ARG 26 HH12 ARG 26 -4.911 -0.779 -0.779
209 H ALA 27 HN ALA 27 -4.730 -6.948 -6.948
210 HA ALA 27 HA ALA 27 -2.493 -8.746 -8.746
211 1HB ALA 27 HB2 ALA 27 -4.241 -7.985 -7.985
212 2HB ALA 27 HB3 ALA 27 -3.005 -9.241 -9.241
213 3HB ALA 27 HB1 ALA 27 -4.385 -9.421 -9.421
214 H MET 28 HN MET 28 -2.667 -5.471 -5.471
215 HA MET 28 HA MET 28 -0.606 -5.344 -5.344
216 1HB MET 28 HB1 MET 28 -2.293 -3.526 -3.526
217 2HB MET 28 HB2 MET 28 -1.394 -3.180 -3.180
218 1HG MET 28 HG1 MET 28 -0.541 -1.664 -1.664
219 2HG MET 28 HG2 MET 28 0.672 -2.938 -2.938
220 1HE MET 28 HE2 MET 28 1.430 -1.685 -1.685
221 2HE MET 28 HE3 MET 28 1.836 -3.389 -3.389
222 3HE MET 28 HE1 MET 28 1.174 -2.473 -2.473
223 H GLU 29 HN GLU 29 -0.623 -5.319 -5.319
224 HA GLU 29 HA GLU 29 1.981 -4.398 -4.398
225 1HB GLU 29 HB1 GLU 29 1.859 -5.651 -5.651
226 2HB GLU 29 HB2 GLU 29 0.255 -5.005 -5.005
227 1HG GLU 29 HG1 GLU 29 -0.090 -7.302 -7.302
228 2HG GLU 29 HG2 GLU 29 1.252 -7.834 -7.834
229 H ALA 30 HN ALA 30 0.911 -7.569 -7.569
230 HA ALA 30 HA ALA 30 3.310 -9.012 -9.012
231 1HB ALA 30 HB2 ALA 30 0.860 -9.295 -9.295
232 2HB ALA 30 HB3 ALA 30 2.250 -9.895 -9.895
233 3HB ALA 30 HB1 ALA 30 1.890 -10.547 -10.547
234 H LYS 31 HN LYS 31 2.236 -7.367 -7.367
235 HA LYS 31 HA LYS 31 4.693 -7.674 -7.674
236 1HB LYS 31 HB1 LYS 31 2.314 -5.900 -5.900
237 2HB LYS 31 HB2 LYS 31 3.781 -5.396 -5.396
238 1HG LYS 31 HG1 LYS 31 3.753 -7.220 -7.220
239 2HG LYS 31 HG2 LYS 31 2.949 -8.257 -8.257
240 1HD LYS 31 HD1 LYS 31 0.982 -7.828 -7.828
241 2HD LYS 31 HD2 LYS 31 1.165 -6.122 -6.122
242 1HE LYS 31 HE1 LYS 31 2.863 -6.322 -6.322
243 2HE LYS 31 HE2 LYS 31 1.644 -7.518 -7.518
244 1HZ LYS 31 HZ2 LYS 31 0.232 -5.367 -5.367
245 2HZ LYS 31 HZ3 LYS 31 1.462 -4.680 -4.680
246 3HZ LYS 31 HZ1 LYS 31 0.408 -5.823 -5.823
247 H LEU 32 HN LEU 32 3.783 -5.513 -5.513
248 HA LEU 32 HA LEU 32 5.597 -3.381 -3.381
249 1HB LEU 32 HB1 LEU 32 3.751 -3.641 -3.641
250 2HB LEU 32 HB2 LEU 32 4.991 -4.465 -4.465
251 HG LEU 32 HG LEU 32 6.379 -2.276 -2.276
252 1HD1 LEU 32 HD13 LEU 32 3.546 -1.690 -1.690
253 2HD1 LEU 32 HD11 LEU 32 4.301 -0.567 -0.567
254 3HD1 LEU 32 HD12 LEU 32 4.961 -0.761 -0.761
255 1HD2 LEU 32 HD21 LEU 32 4.651 -2.835 -2.835
256 2HD2 LEU 32 HD22 LEU 32 6.410 -2.792 -2.792
257 3HD2 LEU 32 HD23 LEU 32 5.490 -1.288 -1.288
258 H LYS 33 HN LYS 33 6.118 -5.944 -5.944
259 HA LYS 33 HA LYS 33 8.912 -5.501 -5.501
260 1HB LYS 33 HB1 LYS 33 7.176 -6.981 -6.981
261 2HB LYS 33 HB2 LYS 33 7.878 -8.264 -8.264
262 1HG LYS 33 HG1 LYS 33 10.005 -7.969 -7.969
263 2HG LYS 33 HG2 LYS 33 9.700 -6.286 -6.286
264 1HD LYS 33 HD1 LYS 33 9.331 -7.046 -7.046
265 2HD LYS 33 HD2 LYS 33 7.808 -7.685 -7.685
266 1HE LYS 33 HE1 LYS 33 10.457 -9.166 -9.166
267 2HE LYS 33 HE2 LYS 33 9.097 -9.447 -9.447
268 1HZ LYS 33 HZ1 LYS 33 8.028 -9.565 -9.565
269 2HZ LYS 33 HZ2 LYS 33 9.509 -10.386 -10.386
270 3HZ LYS 33 HZ3 LYS 33 8.364 -10.882 -10.882
271 H ALA 34 HN ALA 34 7.118 -6.963 -6.963
272 HA ALA 34 HA ALA 34 9.125 -8.843 -8.843
273 1HB ALA 34 HB3 ALA 34 6.741 -8.999 -8.999
274 2HB ALA 34 HB1 ALA 34 6.908 -7.491 -7.491
275 3HB ALA 34 HB2 ALA 34 7.809 -8.921 -8.921
276 H GLU 35 HN GLU 35 8.433 -5.436 -5.436
277 HA GLU 35 HA GLU 35 10.532 -5.324 -5.324
278 1HB GLU 35 HB1 GLU 35 8.549 -3.384 -3.384
279 2HB GLU 35 HB2 GLU 35 9.953 -2.767 -2.767
280 1HG GLU 35 HG1 GLU 35 8.217 -4.944 -4.944
281 2HG GLU 35 HG2 GLU 35 7.806 -3.240 -3.240
282 H ILE 36 HN ILE 36 9.988 -3.805 -3.805
283 HA ILE 36 HA ILE 36 12.443 -2.482 -2.482
284 HB ILE 36 HB ILE 36 10.738 -3.878 -3.878
285 1HG1 ILE 36 HG11 ILE 36 11.059 -0.983 -0.983
286 2HG1 ILE 36 HG12 ILE 36 10.445 -1.495 -1.495
287 1HG2 ILE 36 HG21 ILE 36 13.400 -2.577 -2.577
288 2HG2 ILE 36 HG22 ILE 36 12.202 -2.111 -2.111
289 3HG2 ILE 36 HG23 ILE 36 12.656 -3.805 -3.805
290 1HD1 ILE 36 HD13 ILE 36 8.692 -2.833 -2.833
291 2HD1 ILE 36 HD11 ILE 36 9.282 -2.224 -2.224
292 3HD1 ILE 36 HD12 ILE 36 8.574 -1.113 -1.113
293 H GLN 37 HN GLN 37 11.829 -5.895 -5.895
294 HA GLN 37 HA GLN 37 14.024 -6.875 -6.875
295 1HB GLN 37 HB1 GLN 37 12.415 -8.449 -8.449
296 2HB GLN 37 HB2 GLN 37 12.655 -7.932 -7.932
297 1HG GLN 37 HG1 GLN 37 14.909 -8.840 -8.840
298 2HG GLN 37 HG2 GLN 37 14.808 -9.212 -9.212
299 1HE2 GLN 37 HE22 GLN 37 13.334 -11.835 -11.835
300 2HE2 GLN 37 HE21 GLN 37 14.194 -10.448 -10.448
301 H LYS 38 HN LYS 38 14.061 -6.915 -6.915
302 HA LYS 38 HA LYS 38 16.954 -6.632 -6.632
303 1HB LYS 38 HB1 LYS 38 16.694 -6.697 -6.697
304 2HB LYS 38 HB2 LYS 38 15.878 -8.043 -8.043
305 1HG LYS 38 HG1 LYS 38 13.995 -5.947 -5.947
306 2HG LYS 38 HG2 LYS 38 14.752 -5.950 -5.950
307 1HD LYS 38 HD1 LYS 38 14.039 -8.608 -8.608
308 2HD LYS 38 HD2 LYS 38 12.689 -7.575 -7.575
309 1HE LYS 38 HE1 LYS 38 15.015 -7.882 -7.882
310 2HE LYS 38 HE2 LYS 38 13.822 -9.177 -9.177
311 1HZ LYS 38 HZ2 LYS 38 12.084 -7.522 -7.522
312 2HZ LYS 38 HZ3 LYS 38 13.273 -6.323 -6.323
313 3HZ LYS 38 HZ1 LYS 38 13.196 -7.615 -7.615
314 1HN NH2 39 1HN NH2 39 14.679 -4.092 -4.092
315 2HN NH2 39 2HN NH2 39 16.137 -3.229 -3.229
Start of MODEL 15
1 1H2 SIN 0 1H2 SIN 0 15.557 3.167 3.167
2 2H2 SIN 0 2H2 SIN 0 15.907 1.905 1.905
3 1H3 SIN 0 1H3 SIN 0 15.359 3.553 3.553
4 2H3 SIN 0 2H3 SIN 0 17.039 4.030 4.030
5 H ASP 1 HN ASP 1 14.674 5.736 5.736
6 HA ASP 1 HA ASP 1 13.384 6.346 6.346
7 1HB ASP 1 HB1 ASP 1 15.445 7.876 7.876
8 2HB ASP 1 HB2 ASP 1 14.703 8.753 8.753
9 H TRP 2 HN TRP 2 13.985 7.652 7.652
10 HA TRP 2 HA TRP 2 11.449 8.777 8.777
11 1HB TRP 2 HB1 TRP 2 11.936 8.625 8.625
12 2HB TRP 2 HB2 TRP 2 13.435 9.013 9.013
13 HD1 TRP 2 HD1 TRP 2 15.200 7.115 7.115
14 HE1 TRP 2 HE1 TRP 2 15.602 4.881 4.881
15 HE3 TRP 2 HE3 TRP 2 10.716 6.627 6.627
16 HZ2 TRP 2 HZ2 TRP 2 14.150 3.128 3.128
17 HZ3 TRP 2 HZ3 TRP 2 10.250 4.695 4.695
18 HH2 TRP 2 HH2 TRP 2 11.958 2.938 2.938
19 H LEU 3 HN LEU 3 12.567 5.470 5.470
20 HA LEU 3 HA LEU 3 10.445 4.341 4.341
21 1HB LEU 3 HB1 LEU 3 12.322 2.974 2.974
22 2HB LEU 3 HB2 LEU 3 12.384 3.315 3.315
23 HG LEU 3 HG LEU 3 10.439 1.993 1.993
24 1HD1 LEU 3 HD12 LEU 3 9.883 2.596 2.596
25 2HD1 LEU 3 HD13 LEU 3 9.946 0.841 0.841
26 3HD1 LEU 3 HD11 LEU 3 8.839 1.771 1.771
27 1HD2 LEU 3 HD22 LEU 3 12.777 0.948 0.948
28 2HD2 LEU 3 HD23 LEU 3 11.876 0.252 0.252
29 3HD2 LEU 3 HD21 LEU 3 11.373 -0.073 -0.073
30 H LYS 4 HN LYS 4 10.680 5.236 5.236
31 HA LYS 4 HA LYS 4 8.435 3.853 3.853
32 1HB LYS 4 HB1 LYS 4 9.337 6.683 6.683
33 2HB LYS 4 HB2 LYS 4 8.225 5.726 5.726
34 1HG LYS 4 HG1 LYS 4 10.477 4.082 4.082
35 2HG LYS 4 HG2 LYS 4 11.116 5.675 5.675
36 1HD LYS 4 HD1 LYS 4 8.899 5.106 5.106
37 2HD LYS 4 HD2 LYS 4 10.000 3.728 3.728
38 1HE LYS 4 HE1 LYS 4 10.577 6.612 6.612
39 2HE LYS 4 HE2 LYS 4 10.845 5.176 5.176
40 1HZ LYS 4 HZ2 LYS 4 12.301 4.662 4.662
41 2HZ LYS 4 HZ3 LYS 4 12.511 6.338 6.338
42 3HZ LYS 4 HZ1 LYS 4 12.922 5.295 5.295
43 H ALA 5 HN ALA 5 8.658 6.775 6.775
44 HA ALA 5 HA ALA 5 5.857 7.446 7.446
45 1HB ALA 5 HB3 ALA 5 8.150 8.606 8.606
46 2HB ALA 5 HB1 ALA 5 7.218 8.152 8.152
47 3HB ALA 5 HB2 ALA 5 6.504 9.206 9.206
48 H ARG 6 HN ARG 6 7.834 5.394 5.394
49 HA ARG 6 HA ARG 6 6.036 4.841 4.841
50 1HB ARG 6 HB1 ARG 6 7.977 3.041 3.041
51 2HB ARG 6 HB2 ARG 6 7.060 2.484 2.484
52 1HG ARG 6 HG1 ARG 6 8.513 5.070 5.070
53 2HG ARG 6 HG2 ARG 6 9.497 3.608 3.608
54 1HD ARG 6 HD1 ARG 6 8.585 4.439 4.439
55 2HD ARG 6 HD2 ARG 6 8.539 2.718 2.718
56 HE ARG 6 HE ARG 6 6.103 3.227 3.227
57 1HH1 ARG 6 HH21 ARG 6 6.983 6.082 6.082
58 2HH1 ARG 6 HH22 ARG 6 5.958 6.079 6.079
59 1HH2 ARG 6 HH11 ARG 6 5.131 2.723 2.723
60 2HH2 ARG 6 HH12 ARG 6 4.908 4.176 4.176
61 H VAL 7 HN VAL 7 6.158 3.452 3.452
62 HA VAL 7 HA VAL 7 3.924 1.670 1.670
63 HB VAL 7 HB VAL 7 5.106 2.660 2.660
64 1HG1 VAL 7 HG11 VAL 7 3.063 0.623 0.623
65 2HG1 VAL 7 HG12 VAL 7 4.193 0.193 0.193
66 3HG1 VAL 7 HG13 VAL 7 3.172 1.622 1.622
67 1HG2 VAL 7 HG22 VAL 7 6.757 1.566 1.566
68 2HG2 VAL 7 HG23 VAL 7 6.465 0.632 0.632
69 3HG2 VAL 7 HG21 VAL 7 5.716 0.143 0.143
70 H GLU 8 HN GLU 8 4.311 4.907 4.907
71 HA GLU 8 HA GLU 8 1.733 5.179 5.179
72 1HB GLU 8 HB1 GLU 8 3.943 6.854 6.854
73 2HB GLU 8 HB2 GLU 8 2.589 7.637 7.637
74 1HG GLU 8 HG1 GLU 8 1.715 6.619 6.619
75 2HG GLU 8 HG2 GLU 8 3.153 7.616 7.616
76 H GLN 9 HN GLN 9 2.780 6.365 6.365
77 HA GLN 9 HA GLN 9 0.207 7.035 7.035
78 1HB GLN 9 HB1 GLN 9 1.189 6.747 6.747
79 2HB GLN 9 HB2 GLN 9 2.223 7.694 7.694
80 1HG GLN 9 HG1 GLN 9 3.827 6.051 6.051
81 2HG GLN 9 HG2 GLN 9 2.646 4.746 4.746
82 1HE2 GLN 9 HE22 GLN 9 2.886 4.515 4.515
83 2HE2 GLN 9 HE21 GLN 9 2.113 3.962 3.962
84 H GLU 10 HN GLU 10 1.698 3.928 3.928
85 HA GLU 10 HA GLU 10 0.036 2.450 2.450
86 1HB GLU 10 HB1 GLU 10 2.246 1.818 1.818
87 2HB GLU 10 HB2 GLU 10 1.022 1.118 1.118
88 1HG GLU 10 HG1 GLU 10 0.052 0.071 0.071
89 2HG GLU 10 HG2 GLU 10 1.616 0.461 0.461
90 H LEU 11 HN LEU 11 -0.084 2.590 2.590
91 HA LEU 11 HA LEU 11 -2.781 1.551 1.551
92 1HB LEU 11 HB1 LEU 11 -2.654 1.888 1.888
93 2HB LEU 11 HB2 LEU 11 -1.276 0.973 0.973
94 HG LEU 11 HG LEU 11 -0.702 3.708 3.708
95 1HD1 LEU 11 HD12 LEU 11 -1.860 2.970 2.970
96 2HD1 LEU 11 HD13 LEU 11 -0.702 4.288 4.288
97 3HD1 LEU 11 HD11 LEU 11 -2.254 4.361 4.361
98 1HD2 LEU 11 HD21 LEU 11 0.708 1.540 1.540
99 2HD2 LEU 11 HD22 LEU 11 1.283 3.120 3.120
100 3HD2 LEU 11 HD23 LEU 11 0.460 2.050 2.050
101 H GLN 12 HN GLN 12 -1.712 4.470 4.470
102 HA GLN 12 HA GLN 12 -3.333 6.272 6.272
103 1HB GLN 12 HB1 GLN 12 -1.433 7.018 7.018
104 2HB GLN 12 HB2 GLN 12 -2.352 6.571 6.571
105 1HG GLN 12 HG1 GLN 12 -4.170 8.145 8.145
106 2HG GLN 12 HG2 GLN 12 -3.046 8.700 8.700
107 1HE2 GLN 12 HE22 GLN 12 -2.550 11.025 11.025
108 2HE2 GLN 12 HE21 GLN 12 -3.737 10.705 10.705
109 H ALA 13 HN ALA 13 -3.828 5.230 5.230
110 HA ALA 13 HA ALA 13 -6.633 5.985 5.985
111 1HB ALA 13 HB3 ALA 13 -4.701 5.089 5.089
112 2HB ALA 13 HB1 ALA 13 -6.290 4.358 4.358
113 3HB ALA 13 HB2 ALA 13 -6.123 6.114 6.114
114 H LEU 14 HN LEU 14 -4.849 3.181 3.181
115 HA LEU 14 HA LEU 14 -6.837 1.177 1.177
116 1HB LEU 14 HB1 LEU 14 -4.263 1.093 1.093
117 2HB LEU 14 HB2 LEU 14 -5.112 0.811 0.811
118 HG LEU 14 HG LEU 14 -4.602 -1.304 -1.304
119 1HD1 LEU 14 HD12 LEU 14 -6.840 -0.665 -0.665
120 2HD1 LEU 14 HD13 LEU 14 -7.562 -1.082 -1.082
121 3HD1 LEU 14 HD11 LEU 14 -6.572 -2.263 -2.263
122 1HD2 LEU 14 HD23 LEU 14 -5.390 0.191 0.191
123 2HD2 LEU 14 HD21 LEU 14 -5.071 -1.543 -1.543
124 3HD2 LEU 14 HD22 LEU 14 -6.716 -0.946 -0.946
125 H GLU 15 HN GLU 15 -6.208 3.250 3.250
126 HA GLU 15 HA GLU 15 -8.536 2.076 2.076
127 1HB GLU 15 HB1 GLU 15 -6.442 2.626 2.626
128 2HB GLU 15 HB2 GLU 15 -6.696 4.328 4.328
129 1HG GLU 15 HG1 GLU 15 -9.149 3.603 3.603
130 2HG GLU 15 HG2 GLU 15 -8.051 2.628 2.628
131 H ALA 16 HN ALA 16 -7.500 5.192 5.192
132 HA ALA 16 HA ALA 16 -9.765 6.729 6.729
133 1HB ALA 16 HB3 ALA 16 -7.509 7.245 7.245
134 2HB ALA 16 HB1 ALA 16 -8.668 7.141 7.141
135 3HB ALA 16 HB2 ALA 16 -8.917 8.306 8.306
136 H ARG 17 HN ARG 17 -9.225 4.754 4.754
137 HA ARG 17 HA ARG 17 -12.187 4.524 4.524
138 1HB ARG 17 HB1 ARG 17 -10.428 4.847 4.847
139 2HB ARG 17 HB2 ARG 17 -12.178 5.038 5.038
140 1HG ARG 17 HG1 ARG 17 -11.924 7.071 7.071
141 2HG ARG 17 HG2 ARG 17 -10.181 6.829 6.829
142 1HD ARG 17 HD1 ARG 17 -10.864 6.731 6.731
143 2HD ARG 17 HD2 ARG 17 -11.648 8.153 8.153
144 HE ARG 17 HE ARG 17 -8.707 7.635 7.635
145 1HH1 ARG 17 HH21 ARG 17 -11.052 9.611 9.611
146 2HH1 ARG 17 HH22 ARG 17 -10.341 11.107 11.107
147 1HH2 ARG 17 HH11 ARG 17 -7.955 9.594 9.594
148 2HH2 ARG 17 HH12 ARG 17 -8.586 11.097 11.097
149 H GLY 18 HN GLY 18 -11.305 2.449 2.449
150 1HA GLY 18 HA1 GLY 18 -10.181 0.525 0.525
151 2HA GLY 18 HA2 GLY 18 -10.283 0.264 0.264
152 H THR 19 HN THR 19 -13.071 1.613 1.613
153 HA THR 19 HA THR 19 -15.270 0.741 0.741
154 HB THR 19 HB THR 19 -14.576 0.163 0.163
155 HG1 THR 19 HG1 THR 19 -16.370 -1.084 -1.084
156 1HG2 THR 19 HG23 THR 19 -13.246 -2.237 -2.237
157 2HG2 THR 19 HG21 THR 19 -13.401 -1.989 -1.989
158 3HG2 THR 19 HG22 THR 19 -12.431 -0.878 -0.878
159 H ASP 20 HN ASP 20 -15.037 0.241 0.241
160 HA ASP 20 HA ASP 20 -15.671 -1.266 -1.266
161 1HB ASP 20 HB1 ASP 20 -16.658 -2.483 -2.483
162 2HB ASP 20 HB2 ASP 20 -15.486 -3.685 -3.685
163 H SER 21 HN SER 21 -13.096 -0.531 -0.531
164 HA SER 21 HA SER 21 -11.592 -3.066 -3.066
165 1HB SER 21 HB1 SER 21 -10.682 -0.377 -0.377
166 2HB SER 21 HB2 SER 21 -9.542 -1.582 -1.582
167 HG SER 21 HG SER 21 -9.934 -1.705 -1.705
168 H ASN 22 HN ASN 22 -13.225 -1.271 -1.271
169 HA ASN 22 HA ASN 22 -11.147 -0.279 -0.279
170 1HB ASN 22 HB1 ASN 22 -12.999 0.525 0.525
171 2HB ASN 22 HB2 ASN 22 -13.301 0.944 0.944
172 1HD2 ASN 22 HD22 ASN 22 -16.343 -0.814 -0.814
173 2HD2 ASN 22 HD21 ASN 22 -15.375 0.418 0.418
174 H ALA 23 HN ALA 23 -11.902 -3.223 -3.223
175 HA ALA 23 HA ALA 23 -11.922 -4.157 -4.157
176 1HB ALA 23 HB3 ALA 23 -13.998 -4.645 -4.645
177 2HB ALA 23 HB1 ALA 23 -12.953 -5.807 -5.807
178 3HB ALA 23 HB2 ALA 23 -13.293 -5.986 -5.986
179 H GLU 24 HN GLU 24 -10.889 -4.946 -4.946
180 HA GLU 24 HA GLU 24 -9.015 -6.966 -6.966
181 1HB GLU 24 HB1 GLU 24 -8.286 -7.013 -7.013
182 2HB GLU 24 HB2 GLU 24 -10.047 -7.047 -7.047
183 1HG GLU 24 HG1 GLU 24 -9.516 -4.342 -4.342
184 2HG GLU 24 HG2 GLU 24 -8.268 -4.985 -4.985
185 H LEU 25 HN LEU 25 -8.963 -3.702 -3.702
186 HA LEU 25 HA LEU 25 -6.424 -2.850 -2.850
187 1HB LEU 25 HB1 LEU 25 -8.388 -1.973 -1.973
188 2HB LEU 25 HB2 LEU 25 -6.728 -1.567 -1.567
189 HG LEU 25 HG LEU 25 -7.426 -1.087 -1.087
190 1HD1 LEU 25 HD12 LEU 25 -9.336 -0.330 -0.330
191 2HD1 LEU 25 HD13 LEU 25 -8.346 1.120 1.120
192 3HD1 LEU 25 HD11 LEU 25 -9.108 0.404 0.404
193 1HD2 LEU 25 HD21 LEU 25 -5.636 -0.117 -0.117
194 2HD2 LEU 25 HD22 LEU 25 -5.483 0.017 0.017
195 3HD2 LEU 25 HD23 LEU 25 -6.416 1.215 1.215
196 H ARG 26 HN ARG 26 -7.253 -5.074 -5.074
197 HA ARG 26 HA ARG 26 -4.866 -4.807 -4.807
198 1HB ARG 26 HB1 ARG 26 -7.196 -6.513 -6.513
199 2HB ARG 26 HB2 ARG 26 -5.743 -7.493 -7.493
200 1HG ARG 26 HG1 ARG 26 -6.123 -6.941 -6.941
201 2HG ARG 26 HG2 ARG 26 -5.155 -5.542 -5.542
202 1HD ARG 26 HD1 ARG 26 -7.714 -4.805 -4.805
203 2HD ARG 26 HD2 ARG 26 -7.992 -5.692 -5.692
204 HE ARG 26 HE ARG 26 -6.217 -4.117 -4.117
205 1HH1 ARG 26 HH11 ARG 26 -8.798 -3.320 -3.320
206 2HH1 ARG 26 HH12 ARG 26 -8.436 -1.628 -1.628
207 1HH2 ARG 26 HH21 ARG 26 -5.456 -1.931 -1.931
208 2HH2 ARG 26 HH22 ARG 26 -6.543 -0.842 -0.842
209 H ALA 27 HN ALA 27 -5.763 -7.131 -7.131
210 HA ALA 27 HA ALA 27 -3.353 -8.579 -8.579
211 1HB ALA 27 HB2 ALA 27 -5.368 -7.861 -7.861
212 2HB ALA 27 HB3 ALA 27 -3.935 -8.809 -8.809
213 3HB ALA 27 HB1 ALA 27 -5.099 -9.420 -9.420
214 H MET 28 HN MET 28 -4.040 -5.342 -5.342
215 HA MET 28 HA MET 28 -1.811 -5.066 -5.066
216 1HB MET 28 HB1 MET 28 -3.933 -3.475 -3.475
217 2HB MET 28 HB2 MET 28 -2.572 -2.647 -2.647
218 1HG MET 28 HG1 MET 28 -2.263 -1.715 -1.715
219 2HG MET 28 HG2 MET 28 -1.557 -3.273 -3.273
220 1HE MET 28 HE1 MET 28 -4.130 -0.904 -0.904
221 2HE MET 28 HE2 MET 28 -4.737 -0.942 -0.942
222 3HE MET 28 HE3 MET 28 -5.664 -1.706 -1.706
223 H GLU 29 HN GLU 29 -2.186 -4.453 -4.453
224 HA GLU 29 HA GLU 29 0.305 -3.249 -3.249
225 1HB GLU 29 HB1 GLU 29 -1.776 -4.517 -4.517
226 2HB GLU 29 HB2 GLU 29 -0.209 -5.061 -5.061
227 1HG GLU 29 HG1 GLU 29 0.429 -2.933 -2.933
228 2HG GLU 29 HG2 GLU 29 -0.559 -2.147 -2.147
229 H ALA 30 HN ALA 30 -0.491 -6.686 -6.686
230 HA ALA 30 HA ALA 30 2.051 -7.713 -7.713
231 1HB ALA 30 HB3 ALA 30 -0.147 -8.765 -8.765
232 2HB ALA 30 HB1 ALA 30 1.321 -9.690 -9.690
233 3HB ALA 30 HB2 ALA 30 0.250 -9.256 -9.256
234 H LYS 31 HN LYS 31 0.750 -7.322 -7.322
235 HA LYS 31 HA LYS 31 3.307 -7.735 -7.735
236 1HB LYS 31 HB1 LYS 31 0.671 -6.636 -6.636
237 2HB LYS 31 HB2 LYS 31 2.090 -6.636 -6.636
238 1HG LYS 31 HG1 LYS 31 2.111 -8.930 -8.930
239 2HG LYS 31 HG2 LYS 31 1.466 -9.174 -9.174
240 1HD LYS 31 HD1 LYS 31 -0.734 -8.206 -8.206
241 2HD LYS 31 HD2 LYS 31 -0.035 -8.418 -8.418
242 1HE LYS 31 HE1 LYS 31 -1.282 -10.415 -10.415
243 2HE LYS 31 HE2 LYS 31 0.415 -10.844 -10.844
244 1HZ LYS 31 HZ2 LYS 31 -1.186 -9.884 -9.884
245 2HZ LYS 31 HZ3 LYS 31 -1.291 -11.508 -11.508
246 3HZ LYS 31 HZ1 LYS 31 0.200 -10.867 -10.867
247 H LEU 32 HN LEU 32 2.198 -5.128 -5.128
248 HA LEU 32 HA LEU 32 3.324 -2.985 -2.985
249 1HB LEU 32 HB1 LEU 32 1.529 -2.759 -2.759
250 2HB LEU 32 HB2 LEU 32 2.835 -2.921 -2.921
251 HG LEU 32 HG LEU 32 3.223 -0.956 -0.956
252 1HD1 LEU 32 HD12 LEU 32 0.954 -0.895 -0.895
253 2HD1 LEU 32 HD13 LEU 32 1.989 0.520 0.520
254 3HD1 LEU 32 HD11 LEU 32 1.298 0.137 0.137
255 1HD2 LEU 32 HD21 LEU 32 4.671 -1.635 -1.635
256 2HD2 LEU 32 HD22 LEU 32 4.696 -0.008 -0.008
257 3HD2 LEU 32 HD23 LEU 32 3.677 -0.364 -0.364
258 H LYS 33 HN LYS 33 4.359 -3.959 -3.959
259 HA LYS 33 HA LYS 33 7.005 -2.936 -2.936
260 1HB LYS 33 HB1 LYS 33 5.507 -4.245 -4.245
261 2HB LYS 33 HB2 LYS 33 7.159 -4.859 -4.859
262 1HG LYS 33 HG1 LYS 33 7.431 -2.099 -2.099
263 2HG LYS 33 HG2 LYS 33 6.193 -2.257 -2.257
264 1HD LYS 33 HD1 LYS 33 7.948 -2.511 -2.511
265 2HD LYS 33 HD2 LYS 33 8.032 -4.151 -4.151
266 1HE LYS 33 HE1 LYS 33 9.387 -2.015 -2.015
267 2HE LYS 33 HE2 LYS 33 10.138 -2.472 -2.472
268 1HZ LYS 33 HZ3 LYS 33 9.245 -4.615 -4.615
269 2HZ LYS 33 HZ1 LYS 33 10.639 -3.759 -3.759
270 3HZ LYS 33 HZ2 LYS 33 10.578 -4.561 -4.561
271 H ALA 34 HN ALA 34 5.562 -5.738 -5.738
272 HA ALA 34 HA ALA 34 7.999 -7.375 -7.375
273 1HB ALA 34 HB2 ALA 34 5.173 -7.746 -7.746
274 2HB ALA 34 HB3 ALA 34 6.364 -8.680 -8.680
275 3HB ALA 34 HB1 ALA 34 6.254 -8.852 -8.852
276 H GLU 35 HN GLU 35 6.067 -5.639 -5.639
277 HA GLU 35 HA GLU 35 7.980 -6.282 -6.282
278 1HB GLU 35 HB1 GLU 35 5.334 -5.580 -5.580
279 2HB GLU 35 HB2 GLU 35 6.096 -4.054 -4.054
280 1HG GLU 35 HG1 GLU 35 7.428 -5.377 -5.377
281 2HG GLU 35 HG2 GLU 35 6.354 -6.734 -6.734
282 H ILE 36 HN ILE 36 7.415 -3.635 -3.635
283 HA ILE 36 HA ILE 36 9.102 -1.757 -1.757
284 HB ILE 36 HB ILE 36 7.221 -1.195 -1.195
285 1HG1 ILE 36 HG11 ILE 36 9.911 0.095 0.095
286 2HG1 ILE 36 HG12 ILE 36 8.953 0.413 0.413
287 1HG2 ILE 36 HG22 ILE 36 8.354 -2.838 -2.838
288 2HG2 ILE 36 HG23 ILE 36 9.350 -1.437 -1.437
289 3HG2 ILE 36 HG21 ILE 36 7.599 -1.356 -1.356
290 1HD1 ILE 36 HD13 ILE 36 7.028 0.936 0.936
291 2HD1 ILE 36 HD11 ILE 36 8.321 1.083 1.083
292 3HD1 ILE 36 HD12 ILE 36 8.298 2.140 2.140
293 H GLN 37 HN GLN 37 9.535 -4.081 -4.081
294 HA GLN 37 HA GLN 37 12.010 -3.305 -3.305
295 1HB GLN 37 HB1 GLN 37 10.823 -5.236 -5.236
296 2HB GLN 37 HB2 GLN 37 11.030 -6.106 -6.106
297 1HG GLN 37 HG1 GLN 37 13.453 -6.127 -6.127
298 2HG GLN 37 HG2 GLN 37 13.309 -5.141 -5.141
299 1HE2 GLN 37 HE22 GLN 37 11.940 -7.881 -7.881
300 2HE2 GLN 37 HE21 GLN 37 11.784 -6.202 -6.202
301 H LYS 38 HN LYS 38 11.313 -4.854 -4.854
302 HA LYS 38 HA LYS 38 13.542 -3.896 -3.896
303 1HB LYS 38 HB1 LYS 38 14.329 -5.851 -5.851
304 2HB LYS 38 HB2 LYS 38 14.509 -6.576 -6.576
305 1HG LYS 38 HG1 LYS 38 15.449 -3.775 -3.775
306 2HG LYS 38 HG2 LYS 38 16.387 -4.973 -4.973
307 1HD LYS 38 HD1 LYS 38 16.244 -6.326 -6.326
308 2HD LYS 38 HD2 LYS 38 15.927 -4.738 -4.738
309 1HE LYS 38 HE1 LYS 38 18.210 -4.623 -4.623
310 2HE LYS 38 HE2 LYS 38 18.040 -4.148 -4.148
311 1HZ LYS 38 HZ3 LYS 38 17.996 -6.981 -6.981
312 2HZ LYS 38 HZ1 LYS 38 19.422 -6.310 -6.310
313 3HZ LYS 38 HZ2 LYS 38 18.989 -6.021 -6.021
314 1HN NH2 39 1HN NH2 39 10.793 -5.748 -5.748
315 2HN NH2 39 2HN NH2 39 11.302 -4.178 -4.178
Start of MODEL 16
1 1H2 SIN 0 1H2 SIN 0 -13.166 2.272 2.272
2 2H2 SIN 0 2H2 SIN 0 -14.012 2.413 2.413
3 1H3 SIN 0 1H3 SIN 0 -14.625 4.506 4.506
4 2H3 SIN 0 2H3 SIN 0 -15.515 3.873 3.873
5 H ASP 1 HN ASP 1 -14.821 5.886 5.886
6 HA ASP 1 HA ASP 1 -12.615 5.517 5.517
7 1HB ASP 1 HB1 ASP 1 -12.968 7.811 7.811
8 2HB ASP 1 HB2 ASP 1 -14.540 7.076 7.076
9 H TRP 2 HN TRP 2 -12.790 7.076 7.076
10 HA TRP 2 HA TRP 2 -10.369 8.506 8.506
11 1HB TRP 2 HB1 TRP 2 -10.455 8.485 8.485
12 2HB TRP 2 HB2 TRP 2 -12.118 8.585 8.585
13 HD1 TRP 2 HD1 TRP 2 -13.489 6.270 6.270
14 HE1 TRP 2 HE1 TRP 2 -13.358 4.185 4.185
15 HE3 TRP 2 HE3 TRP 2 -8.925 7.042 7.042
16 HZ2 TRP 2 HZ2 TRP 2 -11.521 3.006 3.006
17 HZ3 TRP 2 HZ3 TRP 2 -7.998 5.434 5.434
18 HH2 TRP 2 HH2 TRP 2 -9.292 3.418 3.418
19 H LEU 3 HN LEU 3 -11.011 5.101 5.101
20 HA LEU 3 HA LEU 3 -8.574 4.285 4.285
21 1HB LEU 3 HB1 LEU 3 -10.661 2.978 2.978
22 2HB LEU 3 HB2 LEU 3 -9.106 2.152 2.152
23 HG LEU 3 HG LEU 3 -9.694 3.035 3.035
24 1HD1 LEU 3 HD12 LEU 3 -12.066 3.245 3.245
25 2HD1 LEU 3 HD13 LEU 3 -12.060 1.482 1.482
26 3HD1 LEU 3 HD11 LEU 3 -11.904 2.403 2.403
27 1HD2 LEU 3 HD21 LEU 3 -8.563 0.916 0.916
28 2HD2 LEU 3 HD22 LEU 3 -9.666 0.691 0.691
29 3HD2 LEU 3 HD23 LEU 3 -10.179 0.267 0.267
30 H LYS 4 HN LYS 4 -9.211 5.331 5.331
31 HA LYS 4 HA LYS 4 -6.888 4.119 4.119
32 1HB LYS 4 HB1 LYS 4 -9.027 5.474 5.474
33 2HB LYS 4 HB2 LYS 4 -7.797 6.736 6.736
34 1HG LYS 4 HG1 LYS 4 -6.495 5.570 5.570
35 2HG LYS 4 HG2 LYS 4 -7.083 3.998 3.998
36 1HD LYS 4 HD1 LYS 4 -8.339 4.090 4.090
37 2HD LYS 4 HD2 LYS 4 -9.392 5.121 5.121
38 1HE LYS 4 HE1 LYS 4 -7.572 6.952 6.952
39 2HE LYS 4 HE2 LYS 4 -7.544 5.839 5.839
40 1HZ LYS 4 HZ3 LYS 4 -10.147 6.014 6.014
41 2HZ LYS 4 HZ1 LYS 4 -9.702 7.540 7.540
42 3HZ LYS 4 HZ2 LYS 4 -9.298 7.094 7.094
43 H ALA 5 HN ALA 5 -7.474 7.223 7.223
44 HA ALA 5 HA ALA 5 -4.748 8.166 8.166
45 1HB ALA 5 HB2 ALA 5 -7.211 9.308 9.308
46 2HB ALA 5 HB3 ALA 5 -6.066 9.555 9.555
47 3HB ALA 5 HB1 ALA 5 -5.688 10.144 10.144
48 H ARG 6 HN ARG 6 -6.495 6.499 6.499
49 HA ARG 6 HA ARG 6 -4.382 6.846 6.846
50 1HB ARG 6 HB1 ARG 6 -5.937 6.131 6.131
51 2HB ARG 6 HB2 ARG 6 -7.072 6.291 6.291
52 1HG ARG 6 HG1 ARG 6 -7.519 4.115 4.115
53 2HG ARG 6 HG2 ARG 6 -6.173 3.818 3.818
54 1HD ARG 6 HD1 ARG 6 -6.363 3.395 3.395
55 2HD ARG 6 HD2 ARG 6 -5.223 2.714 2.714
56 HE ARG 6 HE ARG 6 -4.266 5.259 5.259
57 1HH1 ARG 6 HH21 ARG 6 -5.644 5.380 5.380
58 2HH1 ARG 6 HH22 ARG 6 -4.426 4.766 4.766
59 1HH2 ARG 6 HH11 ARG 6 -2.526 3.370 3.370
60 2HH2 ARG 6 HH12 ARG 6 -2.660 3.626 3.626
61 H VAL 7 HN VAL 7 -5.030 4.678 4.678
62 HA VAL 7 HA VAL 7 -3.438 2.489 2.489
63 HB VAL 7 HB VAL 7 -4.623 3.012 3.012
64 1HG1 VAL 7 HG13 VAL 7 -2.887 0.759 0.759
65 2HG1 VAL 7 HG11 VAL 7 -3.998 0.536 0.536
66 3HG1 VAL 7 HG12 VAL 7 -2.689 1.712 1.712
67 1HG2 VAL 7 HG21 VAL 7 -5.831 2.183 2.183
68 2HG2 VAL 7 HG22 VAL 7 -6.386 1.741 1.741
69 3HG2 VAL 7 HG23 VAL 7 -5.354 0.638 0.638
70 H GLU 8 HN GLU 8 -3.010 5.168 5.168
71 HA GLU 8 HA GLU 8 -0.480 4.428 4.428
72 1HB GLU 8 HB1 GLU 8 -2.095 6.443 6.443
73 2HB GLU 8 HB2 GLU 8 -1.103 7.299 7.299
74 1HG GLU 8 HG1 GLU 8 0.152 7.718 7.718
75 2HG GLU 8 HG2 GLU 8 0.864 6.170 6.170
76 H GLN 9 HN GLN 9 -1.392 5.664 5.664
77 HA GLN 9 HA GLN 9 1.151 6.690 6.690
78 1HB GLN 9 HB1 GLN 9 -1.198 6.893 6.893
79 2HB GLN 9 HB2 GLN 9 -0.749 5.382 5.382
80 1HG GLN 9 HG1 GLN 9 1.045 6.365 6.365
81 2HG GLN 9 HG2 GLN 9 1.184 7.685 7.685
82 1HE2 GLN 9 HE22 GLN 9 -0.428 9.218 9.218
83 2HE2 GLN 9 HE21 GLN 9 1.109 8.651 8.651
84 H GLU 10 HN GLU 10 -0.381 3.598 3.598
85 HA GLU 10 HA GLU 10 1.888 2.433 2.433
86 1HB GLU 10 HB1 GLU 10 -0.452 1.226 1.226
87 2HB GLU 10 HB2 GLU 10 0.813 0.216 0.216
88 1HG GLU 10 HG1 GLU 10 -0.077 2.250 2.250
89 2HG GLU 10 HG2 GLU 10 -1.427 1.257 1.257
90 H LEU 11 HN LEU 11 0.899 2.384 2.384
91 HA LEU 11 HA LEU 11 2.901 0.669 0.669
92 1HB LEU 11 HB1 LEU 11 1.558 3.081 3.081
93 2HB LEU 11 HB2 LEU 11 2.668 2.044 2.044
94 HG LEU 11 HG LEU 11 0.453 0.732 0.732
95 1HD1 LEU 11 HD13 LEU 11 0.131 2.458 2.458
96 2HD1 LEU 11 HD11 LEU 11 -0.893 1.039 1.039
97 3HD1 LEU 11 HD12 LEU 11 -0.913 2.336 2.336
98 1HD2 LEU 11 HD22 LEU 11 2.396 0.081 0.081
99 2HD2 LEU 11 HD23 LEU 11 1.276 -0.998 -0.998
100 3HD2 LEU 11 HD21 LEU 11 0.780 -0.187 -0.187
101 H GLN 12 HN GLN 12 3.033 4.234 4.234
102 HA GLN 12 HA GLN 12 5.746 4.480 4.480
103 1HB GLN 12 HB1 GLN 12 3.793 6.263 6.263
104 2HB GLN 12 HB2 GLN 12 4.782 6.385 6.385
105 1HG GLN 12 HG1 GLN 12 6.744 6.924 6.924
106 2HG GLN 12 HG2 GLN 12 5.905 6.566 6.566
107 1HE2 GLN 12 HE22 GLN 12 5.470 10.209 10.209
108 2HE2 GLN 12 HE21 GLN 12 6.451 9.012 9.012
109 H ALA 13 HN ALA 13 4.356 3.416 3.416
110 HA ALA 13 HA ALA 13 6.653 3.951 3.951
111 1HB ALA 13 HB2 ALA 13 4.038 3.057 3.057
112 2HB ALA 13 HB3 ALA 13 5.035 1.669 1.669
113 3HB ALA 13 HB1 ALA 13 5.276 3.217 3.217
114 H LEU 14 HN LEU 14 5.672 1.282 1.282
115 HA LEU 14 HA LEU 14 7.741 -0.516 -0.516
116 1HB LEU 14 HB1 LEU 14 5.511 -1.150 -1.150
117 2HB LEU 14 HB2 LEU 14 6.356 -0.781 -0.781
118 HG LEU 14 HG LEU 14 8.014 -2.417 -2.417
119 1HD1 LEU 14 HD12 LEU 14 5.601 -3.078 -3.078
120 2HD1 LEU 14 HD13 LEU 14 5.490 -3.793 -3.793
121 3HD1 LEU 14 HD11 LEU 14 6.708 -4.369 -4.369
122 1HD2 LEU 14 HD21 LEU 14 7.467 -2.016 -2.016
123 2HD2 LEU 14 HD22 LEU 14 8.638 -3.143 -3.143
124 3HD2 LEU 14 HD23 LEU 14 7.001 -3.686 -3.686
125 H GLU 15 HN GLU 15 7.311 1.464 1.464
126 HA GLU 15 HA GLU 15 9.854 0.753 0.753
127 1HB GLU 15 HB1 GLU 15 8.191 1.700 1.700
128 2HB GLU 15 HB2 GLU 15 8.017 3.123 3.123
129 1HG GLU 15 HG1 GLU 15 9.952 4.088 4.088
130 2HG GLU 15 HG2 GLU 15 10.748 2.534 2.534
131 H ALA 16 HN ALA 16 8.870 3.079 3.079
132 HA ALA 16 HA ALA 16 11.207 4.759 4.759
133 1HB ALA 16 HB2 ALA 16 8.939 4.362 4.362
134 2HB ALA 16 HB3 ALA 16 10.413 5.005 5.005
135 3HB ALA 16 HB1 ALA 16 9.642 5.858 5.858
136 H ARG 17 HN ARG 17 10.798 1.551 1.551
137 HA ARG 17 HA ARG 17 13.502 1.597 1.597
138 1HB ARG 17 HB1 ARG 17 10.964 0.922 0.922
139 2HB ARG 17 HB2 ARG 17 12.340 -0.142 -0.142
140 1HG ARG 17 HG1 ARG 17 13.616 1.566 1.566
141 2HG ARG 17 HG2 ARG 17 12.727 2.836 2.836
142 1HD ARG 17 HD1 ARG 17 10.928 1.339 1.339
143 2HD ARG 17 HD2 ARG 17 12.304 1.904 1.904
144 HE ARG 17 HE ARG 17 11.758 4.215 4.215
145 1HH1 ARG 17 HH21 ARG 17 9.576 2.246 2.246
146 2HH1 ARG 17 HH22 ARG 17 8.151 3.046 3.046
147 1HH2 ARG 17 HH11 ARG 17 9.857 5.017 5.017
148 2HH2 ARG 17 HH12 ARG 17 8.310 4.614 4.614
149 H GLY 18 HN GLY 18 13.283 0.657 0.657
150 1HA GLY 18 HA1 GLY 18 13.537 -2.266 -2.266
151 2HA GLY 18 HA2 GLY 18 12.337 -1.720 -1.720
152 H THR 19 HN THR 19 15.247 -2.997 -2.997
153 HA THR 19 HA THR 19 16.342 -1.138 -1.138
154 HB THR 19 HB THR 19 18.534 -2.155 -2.155
155 HG1 THR 19 HG1 THR 19 17.714 -4.206 -4.206
156 1HG2 THR 19 HG23 THR 19 16.892 -0.857 -0.857
157 2HG2 THR 19 HG21 THR 19 18.400 -1.594 -1.594
158 3HG2 THR 19 HG22 THR 19 18.425 -0.348 -0.348
159 H ASP 20 HN ASP 20 14.464 -3.744 -3.744
160 HA ASP 20 HA ASP 20 15.364 -4.681 -4.681
161 1HB ASP 20 HB1 ASP 20 16.158 -6.079 -6.079
162 2HB ASP 20 HB2 ASP 20 14.947 -7.061 -7.061
163 H SER 21 HN SER 21 13.122 -3.477 -3.477
164 HA SER 21 HA SER 21 11.097 -5.374 -5.374
165 1HB SER 21 HB1 SER 21 11.386 -4.881 -4.881
166 2HB SER 21 HB2 SER 21 9.902 -4.084 -4.084
167 HG SER 21 HG SER 21 10.071 -6.552 -6.552
168 H ASN 22 HN ASN 22 12.268 -2.842 -2.842
169 HA ASN 22 HA ASN 22 10.010 -0.939 -0.939
170 1HB ASN 22 HB1 ASN 22 12.615 -0.627 -0.627
171 2HB ASN 22 HB2 ASN 22 11.461 0.649 0.649
172 1HD2 ASN 22 HD22 ASN 22 13.691 1.192 1.192
173 2HD2 ASN 22 HD21 ASN 22 13.279 1.732 1.732
174 H ALA 23 HN ALA 23 10.023 -3.578 -3.578
175 HA ALA 23 HA ALA 23 9.144 -2.444 -2.444
176 1HB ALA 23 HB1 ALA 23 11.256 -4.175 -4.175
177 2HB ALA 23 HB2 ALA 23 9.927 -5.277 -5.277
178 3HB ALA 23 HB3 ALA 23 10.341 -3.995 -3.995
179 H GLU 24 HN GLU 24 8.720 -5.072 -5.072
180 HA GLU 24 HA GLU 24 6.417 -6.263 -6.263
181 1HB GLU 24 HB1 GLU 24 6.015 -7.199 -7.199
182 2HB GLU 24 HB2 GLU 24 7.766 -7.057 -7.057
183 1HG GLU 24 HG1 GLU 24 7.765 -5.009 -5.009
184 2HG GLU 24 HG2 GLU 24 6.001 -4.982 -4.982
185 H LEU 25 HN LEU 25 6.806 -3.229 -3.229
186 HA LEU 25 HA LEU 25 4.216 -2.714 -2.714
187 1HB LEU 25 HB1 LEU 25 6.133 -0.817 -0.817
188 2HB LEU 25 HB2 LEU 25 4.703 -0.308 -0.308
189 HG LEU 25 HG LEU 25 6.294 -2.166 -2.166
190 1HD1 LEU 25 HD12 LEU 25 7.973 -0.845 -0.845
191 2HD1 LEU 25 HD13 LEU 25 7.735 0.420 0.420
192 3HD1 LEU 25 HD11 LEU 25 8.367 -1.154 -1.154
193 1HD2 LEU 25 HD22 LEU 25 4.560 -0.563 -0.563
194 2HD2 LEU 25 HD23 LEU 25 6.106 -0.381 -0.381
195 3HD2 LEU 25 HD21 LEU 25 5.636 0.769 0.769
196 H ARG 26 HN ARG 26 5.462 -2.434 -2.434
197 HA ARG 26 HA ARG 26 3.241 -1.257 -1.257
198 1HB ARG 26 HB1 ARG 26 4.977 -3.511 -3.511
199 2HB ARG 26 HB2 ARG 26 3.930 -2.486 -2.486
200 1HG ARG 26 HG1 ARG 26 6.060 -1.311 -1.311
201 2HG ARG 26 HG2 ARG 26 6.427 -1.835 -1.835
202 1HD ARG 26 HD1 ARG 26 5.725 0.216 0.216
203 2HD ARG 26 HD2 ARG 26 4.094 -0.351 -0.351
204 HE ARG 26 HE ARG 26 4.130 1.302 1.302
205 1HH1 ARG 26 HH21 ARG 26 5.324 -0.090 -0.090
206 2HH1 ARG 26 HH22 ARG 26 6.852 0.679 0.679
207 1HH2 ARG 26 HH11 ARG 26 6.916 2.246 2.246
208 2HH2 ARG 26 HH12 ARG 26 7.753 2.002 2.002
209 H ALA 27 HN ALA 27 3.800 -4.747 -4.747
210 HA ALA 27 HA ALA 27 1.244 -5.571 -5.571
211 1HB ALA 27 HB1 ALA 27 3.068 -6.904 -6.904
212 2HB ALA 27 HB2 ALA 27 1.707 -7.684 -7.684
213 3HB ALA 27 HB3 ALA 27 3.103 -7.154 -7.154
214 H MET 28 HN MET 28 2.344 -4.391 -4.391
215 HA MET 28 HA MET 28 0.115 -5.227 -5.227
216 1HB MET 28 HB1 MET 28 2.150 -4.337 -4.337
217 2HB MET 28 HB2 MET 28 1.875 -2.770 -2.770
218 1HG MET 28 HG1 MET 28 0.564 -2.167 -2.167
219 2HG MET 28 HG2 MET 28 -0.516 -3.517 -3.517
220 1HE MET 28 HE2 MET 28 3.001 -3.101 -3.101
221 2HE MET 28 HE3 MET 28 2.943 -2.757 -2.757
222 3HE MET 28 HE1 MET 28 3.443 -4.355 -4.355
223 H GLU 29 HN GLU 29 0.517 -2.628 -2.628
224 HA GLU 29 HA GLU 29 -1.566 -0.890 -0.890
225 1HB GLU 29 HB1 GLU 29 0.065 -1.266 -1.266
226 2HB GLU 29 HB2 GLU 29 -1.598 -1.307 -1.307
227 1HG GLU 29 HG1 GLU 29 -1.925 0.897 0.897
228 2HG GLU 29 HG2 GLU 29 -1.090 0.796 0.796
229 H ALA 30 HN ALA 30 -1.776 -3.780 -3.780
230 HA ALA 30 HA ALA 30 -4.586 -3.683 -3.683
231 1HB ALA 30 HB2 ALA 30 -2.613 -5.976 -5.976
232 2HB ALA 30 HB3 ALA 30 -4.314 -6.190 -6.190
233 3HB ALA 30 HB1 ALA 30 -3.292 -5.148 -5.148
234 H LYS 31 HN LYS 31 -2.627 -5.234 -5.234
235 HA LYS 31 HA LYS 31 -4.706 -6.601 -6.601
236 1HB LYS 31 HB1 LYS 31 -1.976 -5.761 -5.761
237 2HB LYS 31 HB2 LYS 31 -3.001 -5.692 -5.692
238 1HG LYS 31 HG1 LYS 31 -1.908 -7.930 -7.930
239 2HG LYS 31 HG2 LYS 31 -3.670 -8.009 -8.009
240 1HD LYS 31 HD1 LYS 31 -3.740 -8.809 -8.809
241 2HD LYS 31 HD2 LYS 31 -2.714 -7.499 -7.499
242 1HE LYS 31 HE1 LYS 31 -1.251 -9.222 -9.222
243 2HE LYS 31 HE2 LYS 31 -0.866 -8.976 -8.976
244 1HZ LYS 31 HZ2 LYS 31 -3.057 -10.779 -10.779
245 2HZ LYS 31 HZ3 LYS 31 -1.448 -11.325 -11.325
246 3HZ LYS 31 HZ1 LYS 31 -2.161 -10.765 -10.765
247 H LEU 32 HN LEU 32 -3.912 -3.199 -3.199
248 HA LEU 32 HA LEU 32 -5.239 -2.352 -2.352
249 1HB LEU 32 HB1 LEU 32 -4.019 -1.120 -1.120
250 2HB LEU 32 HB2 LEU 32 -5.626 -0.415 -0.415
251 HG LEU 32 HG LEU 32 -4.852 -0.431 -0.431
252 1HD1 LEU 32 HD13 LEU 32 -2.494 -1.099 -1.099
253 2HD1 LEU 32 HD11 LEU 32 -2.307 0.581 0.581
254 3HD1 LEU 32 HD12 LEU 32 -2.633 -0.667 -0.667
255 1HD2 LEU 32 HD22 LEU 32 -4.903 1.495 1.495
256 2HD2 LEU 32 HD23 LEU 32 -5.392 1.705 1.705
257 3HD2 LEU 32 HD21 LEU 32 -3.704 1.929 1.929
258 H LYS 33 HN LYS 33 -6.468 -2.669 -2.669
259 HA LYS 33 HA LYS 33 -9.124 -1.823 -1.823
260 1HB LYS 33 HB1 LYS 33 -7.896 -2.353 -2.353
261 2HB LYS 33 HB2 LYS 33 -8.585 -3.959 -3.959
262 1HG LYS 33 HG1 LYS 33 -10.823 -2.751 -2.751
263 2HG LYS 33 HG2 LYS 33 -10.036 -1.321 -1.321
264 1HD LYS 33 HD1 LYS 33 -11.273 -2.614 -2.614
265 2HD LYS 33 HD2 LYS 33 -9.544 -2.536 -2.536
266 1HE LYS 33 HE1 LYS 33 -9.196 -4.772 -4.772
267 2HE LYS 33 HE2 LYS 33 -10.786 -4.842 -4.842
268 1HZ LYS 33 HZ2 LYS 33 -11.758 -4.576 -4.576
269 2HZ LYS 33 HZ3 LYS 33 -10.198 -4.720 -4.720
270 3HZ LYS 33 HZ1 LYS 33 -10.880 -6.018 -6.018
271 H ALA 34 HN ALA 34 -7.498 -4.864 -4.864
272 HA ALA 34 HA ALA 34 -9.778 -6.558 -6.558
273 1HB ALA 34 HB1 ALA 34 -7.052 -6.878 -6.878
274 2HB ALA 34 HB2 ALA 34 -7.642 -7.101 -7.101
275 3HB ALA 34 HB3 ALA 34 -8.261 -8.115 -8.115
276 H GLU 35 HN GLU 35 -8.439 -4.158 -4.158
277 HA GLU 35 HA GLU 35 -10.150 -5.075 -5.075
278 1HB GLU 35 HB1 GLU 35 -7.720 -3.682 -3.682
279 2HB GLU 35 HB2 GLU 35 -8.894 -2.492 -2.492
280 1HG GLU 35 HG1 GLU 35 -9.207 -5.113 -5.113
281 2HG GLU 35 HG2 GLU 35 -7.632 -4.378 -4.378
282 H ILE 36 HN ILE 36 -9.663 -1.881 -1.881
283 HA ILE 36 HA ILE 36 -11.964 -0.617 -0.617
284 HB ILE 36 HB ILE 36 -11.920 0.462 0.462
285 1HG1 ILE 36 HG11 ILE 36 -9.140 -0.709 -0.709
286 2HG1 ILE 36 HG12 ILE 36 -10.437 -1.535 -1.535
287 1HG2 ILE 36 HG23 ILE 36 -10.414 0.813 0.813
288 2HG2 ILE 36 HG21 ILE 36 -9.430 1.278 1.278
289 3HG2 ILE 36 HG22 ILE 36 -10.999 2.038 2.038
290 1HD1 ILE 36 HD12 ILE 36 -9.948 1.386 1.386
291 2HD1 ILE 36 HD13 ILE 36 -8.902 0.190 0.190
292 3HD1 ILE 36 HD11 ILE 36 -10.638 0.170 0.170
293 H GLN 37 HN GLN 37 -11.753 -3.214 -3.214
294 HA GLN 37 HA GLN 37 -14.073 -2.976 -2.976
295 1HB GLN 37 HB1 GLN 37 -12.343 -5.101 -5.101
296 2HB GLN 37 HB2 GLN 37 -13.999 -5.657 -5.657
297 1HG GLN 37 HG1 GLN 37 -14.313 -4.465 -4.465
298 2HG GLN 37 HG2 GLN 37 -12.607 -4.895 -4.895
299 1HE2 GLN 37 HE22 GLN 37 -15.439 -7.864 -7.864
300 2HE2 GLN 37 HE21 GLN 37 -15.859 -6.286 -6.286
301 H LYS 38 HN LYS 38 -13.878 -4.336 -4.336
302 HA LYS 38 HA LYS 38 -16.589 -4.904 -4.904
303 1HB LYS 38 HB1 LYS 38 -14.319 -4.770 -4.770
304 2HB LYS 38 HB2 LYS 38 -15.419 -3.594 -3.594
305 1HG LYS 38 HG1 LYS 38 -17.190 -5.540 -5.540
306 2HG LYS 38 HG2 LYS 38 -15.746 -6.554 -6.554
307 1HD LYS 38 HD1 LYS 38 -15.125 -5.708 -5.708
308 2HD LYS 38 HD2 LYS 38 -16.417 -4.509 -4.509
309 1HE LYS 38 HE1 LYS 38 -17.358 -7.257 -7.257
310 2HE LYS 38 HE2 LYS 38 -16.615 -7.019 -7.019
311 1HZ LYS 38 HZ1 LYS 38 -18.612 -5.122 -5.122
312 2HZ LYS 38 HZ2 LYS 38 -19.083 -6.521 -6.521
313 3HZ LYS 38 HZ3 LYS 38 -18.123 -5.348 -5.348
314 1HN NH2 39 1HN NH2 39 -15.147 -1.476 -1.476
315 2HN NH2 39 2HN NH2 39 -16.343 -1.160 -1.160
Start of MODEL 17
1 1H2 SIN 0 1H2 SIN 0 12.589 -5.298 -5.298
2 2H2 SIN 0 2H2 SIN 0 12.629 -5.450 -5.450
3 1H3 SIN 0 1H3 SIN 0 13.774 -3.520 -3.520
4 2H3 SIN 0 2H3 SIN 0 15.088 -4.257 -4.257
5 H ASP 1 HN ASP 1 15.607 -2.993 -2.993
6 HA ASP 1 HA ASP 1 13.625 -3.010 -3.010
7 1HB ASP 1 HB1 ASP 1 15.452 -2.348 -2.348
8 2HB ASP 1 HB2 ASP 1 16.027 -3.581 -3.581
9 H TRP 2 HN TRP 2 15.432 -0.348 -0.348
10 HA TRP 2 HA TRP 2 14.459 1.768 1.768
11 1HB TRP 2 HB1 TRP 2 14.935 3.220 3.220
12 2HB TRP 2 HB2 TRP 2 16.154 1.943 1.943
13 HD1 TRP 2 HD1 TRP 2 15.771 -0.095 -0.095
14 HE1 TRP 2 HE1 TRP 2 14.670 -0.137 -0.137
15 HE3 TRP 2 HE3 TRP 2 13.106 4.235 4.235
16 HZ2 TRP 2 HZ2 TRP 2 12.864 1.478 1.478
17 HZ3 TRP 2 HZ3 TRP 2 11.707 4.968 4.968
18 HH2 TRP 2 HH2 TRP 2 11.582 3.594 3.594
19 H LEU 3 HN LEU 3 12.764 -0.214 -0.214
20 HA LEU 3 HA LEU 3 10.661 1.500 1.500
21 1HB LEU 3 HB1 LEU 3 10.828 -1.475 -1.475
22 2HB LEU 3 HB2 LEU 3 9.282 -0.731 -0.731
23 HG LEU 3 HG LEU 3 10.295 -1.460 -1.460
24 1HD1 LEU 3 HD11 LEU 3 9.272 0.918 0.918
25 2HD1 LEU 3 HD12 LEU 3 10.936 1.481 1.481
26 3HD1 LEU 3 HD13 LEU 3 10.196 0.544 0.544
27 1HD2 LEU 3 HD21 LEU 3 12.724 0.076 0.076
28 2HD2 LEU 3 HD22 LEU 3 12.605 -1.667 -1.667
29 3HD2 LEU 3 HD23 LEU 3 12.551 -0.586 -0.586
30 H LYS 4 HN LYS 4 10.925 -0.574 -0.574
31 HA LYS 4 HA LYS 4 8.448 -0.157 -0.157
32 1HB LYS 4 HB1 LYS 4 11.083 -0.913 -0.913
33 2HB LYS 4 HB2 LYS 4 10.340 0.147 0.147
34 1HG LYS 4 HG1 LYS 4 9.507 -1.927 -1.927
35 2HG LYS 4 HG2 LYS 4 8.224 -1.380 -1.380
36 1HD LYS 4 HD1 LYS 4 8.587 -3.137 -3.137
37 2HD LYS 4 HD2 LYS 4 10.280 -2.676 -2.676
38 1HE LYS 4 HE1 LYS 4 10.710 -4.628 -4.628
39 2HE LYS 4 HE2 LYS 4 10.251 -3.736 -3.736
40 1HZ LYS 4 HZ3 LYS 4 7.889 -4.431 -4.431
41 2HZ LYS 4 HZ1 LYS 4 8.611 -5.574 -5.574
42 3HZ LYS 4 HZ2 LYS 4 8.918 -5.619 -5.619
43 H ALA 5 HN ALA 5 11.179 2.103 2.103
44 HA ALA 5 HA ALA 5 9.881 4.059 4.059
45 1HB ALA 5 HB2 ALA 5 12.455 3.705 3.705
46 2HB ALA 5 HB3 ALA 5 11.857 5.179 5.179
47 3HB ALA 5 HB1 ALA 5 11.907 5.052 5.052
48 H ARG 6 HN ARG 6 10.257 3.629 3.629
49 HA ARG 6 HA ARG 6 8.682 6.036 6.036
50 1HB ARG 6 HB1 ARG 6 9.202 5.677 5.677
51 2HB ARG 6 HB2 ARG 6 10.662 5.243 5.243
52 1HG ARG 6 HG1 ARG 6 10.564 3.262 3.262
53 2HG ARG 6 HG2 ARG 6 9.201 2.875 2.875
54 1HD ARG 6 HD1 ARG 6 8.442 2.549 2.549
55 2HD ARG 6 HD2 ARG 6 7.719 4.056 4.056
56 HE ARG 6 HE ARG 6 9.926 5.018 5.018
57 1HH1 ARG 6 HH11 ARG 6 9.149 1.995 1.995
58 2HH1 ARG 6 HH12 ARG 6 8.762 2.452 2.452
59 1HH2 ARG 6 HH21 ARG 6 8.833 5.855 5.855
60 2HH2 ARG 6 HH22 ARG 6 8.581 4.638 4.638
61 H VAL 7 HN VAL 7 7.777 3.145 3.145
62 HA VAL 7 HA VAL 7 5.612 2.625 2.625
63 HB VAL 7 HB VAL 7 6.465 1.273 1.273
64 1HG1 VAL 7 HG12 VAL 7 3.888 1.273 1.273
65 2HG1 VAL 7 HG13 VAL 7 4.629 -0.308 -0.308
66 3HG1 VAL 7 HG11 VAL 7 4.429 0.324 0.324
67 1HG2 VAL 7 HG23 VAL 7 7.257 1.064 1.064
68 2HG2 VAL 7 HG21 VAL 7 7.752 0.041 0.041
69 3HG2 VAL 7 HG22 VAL 7 6.338 -0.391 -0.391
70 H GLU 8 HN GLU 8 5.773 3.245 3.245
71 HA GLU 8 HA GLU 8 3.033 3.703 3.703
72 1HB GLU 8 HB1 GLU 8 5.244 3.808 3.808
73 2HB GLU 8 HB2 GLU 8 4.882 5.528 5.528
74 1HG GLU 8 HG1 GLU 8 2.420 4.137 4.137
75 2HG GLU 8 HG2 GLU 8 3.579 3.577 3.577
76 H GLN 9 HN GLN 9 5.540 6.114 6.114
77 HA GLN 9 HA GLN 9 3.821 8.360 8.360
78 1HB GLN 9 HB1 GLN 9 6.530 7.836 7.836
79 2HB GLN 9 HB2 GLN 9 5.891 8.442 8.442
80 1HG GLN 9 HG1 GLN 9 4.918 10.385 10.385
81 2HG GLN 9 HG2 GLN 9 5.623 9.784 9.784
82 1HE2 GLN 9 HE22 GLN 9 9.035 10.323 10.323
83 2HE2 GLN 9 HE21 GLN 9 8.174 8.998 8.998
84 H GLU 10 HN GLU 10 4.391 5.751 5.751
85 HA GLU 10 HA GLU 10 3.231 7.050 7.050
86 1HB GLU 10 HB1 GLU 10 4.582 4.690 4.690
87 2HB GLU 10 HB2 GLU 10 2.940 4.130 4.130
88 1HG GLU 10 HG1 GLU 10 4.214 6.213 6.213
89 2HG GLU 10 HG2 GLU 10 4.537 4.499 4.499
90 H LEU 11 HN LEU 11 1.880 4.518 4.518
91 HA LEU 11 HA LEU 11 -0.794 5.040 5.040
92 1HB LEU 11 HB1 LEU 11 -0.082 3.253 3.253
93 2HB LEU 11 HB2 LEU 11 -1.505 3.161 3.161
94 HG LEU 11 HG LEU 11 1.083 3.015 3.015
95 1HD1 LEU 11 HD13 LEU 11 1.039 1.612 1.612
96 2HD1 LEU 11 HD11 LEU 11 0.297 0.444 0.444
97 3HD1 LEU 11 HD12 LEU 11 1.904 1.082 1.082
98 1HD2 LEU 11 HD23 LEU 11 -1.665 2.254 2.254
99 2HD2 LEU 11 HD21 LEU 11 -0.367 2.199 2.199
100 3HD2 LEU 11 HD22 LEU 11 -0.662 0.810 0.810
101 H GLN 12 HN GLN 12 0.797 7.031 7.031
102 HA GLN 12 HA GLN 12 -0.775 7.187 7.187
103 1HB GLN 12 HB1 GLN 12 0.487 9.120 9.120
104 2HB GLN 12 HB2 GLN 12 1.606 8.102 8.102
105 1HG GLN 12 HG1 GLN 12 1.129 9.366 9.366
106 2HG GLN 12 HG2 GLN 12 -0.046 10.356 10.356
107 1HE2 GLN 12 HE22 GLN 12 2.584 12.627 12.627
108 2HE2 GLN 12 HE21 GLN 12 1.056 12.381 12.381
109 H ALA 13 HN ALA 13 -0.799 8.894 8.894
110 HA ALA 13 HA ALA 13 -3.051 10.575 10.575
111 1HB ALA 13 HB1 ALA 13 -1.343 10.181 10.181
112 2HB ALA 13 HB2 ALA 13 -2.983 10.749 10.749
113 3HB ALA 13 HB3 ALA 13 -1.913 11.676 11.676
114 H LEU 14 HN LEU 14 -2.716 7.349 7.349
115 HA LEU 14 HA LEU 14 -5.139 7.093 7.093
116 1HB LEU 14 HB1 LEU 14 -2.990 5.414 5.414
117 2HB LEU 14 HB2 LEU 14 -4.445 4.657 4.657
118 HG LEU 14 HG LEU 14 -4.970 5.658 5.658
119 1HD1 LEU 14 HD12 LEU 14 -2.383 4.259 4.259
120 2HD1 LEU 14 HD13 LEU 14 -3.364 3.688 3.688
121 3HD1 LEU 14 HD11 LEU 14 -2.857 5.376 5.376
122 1HD2 LEU 14 HD22 LEU 14 -5.242 3.210 3.210
123 2HD2 LEU 14 HD23 LEU 14 -6.355 3.909 3.909
124 3HD2 LEU 14 HD21 LEU 14 -5.014 2.902 2.902
125 H GLU 15 HN GLU 15 -4.336 6.471 6.471
126 HA GLU 15 HA GLU 15 -7.051 5.708 5.708
127 1HB GLU 15 HB1 GLU 15 -6.276 5.664 5.664
128 2HB GLU 15 HB2 GLU 15 -4.942 5.072 5.072
129 1HG GLU 15 HG1 GLU 15 -3.665 6.670 6.670
130 2HG GLU 15 HG2 GLU 15 -4.604 7.852 7.852
131 H ALA 16 HN ALA 16 -5.369 8.722 8.722
132 HA ALA 16 HA ALA 16 -7.052 10.314 10.314
133 1HB ALA 16 HB2 ALA 16 -4.745 10.856 10.856
134 2HB ALA 16 HB3 ALA 16 -5.802 11.470 11.470
135 3HB ALA 16 HB1 ALA 16 -5.896 12.143 12.143
136 H ARG 17 HN ARG 17 -7.321 9.186 9.186
137 HA ARG 17 HA ARG 17 -9.971 10.568 10.568
138 1HB ARG 17 HB1 ARG 17 -8.246 11.440 11.440
139 2HB ARG 17 HB2 ARG 17 -8.174 9.831 9.831
140 1HG ARG 17 HG1 ARG 17 -10.044 10.229 10.229
141 2HG ARG 17 HG2 ARG 17 -10.925 10.695 10.695
142 1HD ARG 17 HD1 ARG 17 -9.541 12.922 12.922
143 2HD ARG 17 HD2 ARG 17 -9.363 12.414 12.414
144 HE ARG 17 HE ARG 17 -12.119 12.408 12.408
145 1HH1 ARG 17 HH11 ARG 17 -10.755 12.766 12.766
146 2HH1 ARG 17 HH12 ARG 17 -11.308 14.367 14.367
147 1HH2 ARG 17 HH21 ARG 17 -12.351 15.023 15.023
148 2HH2 ARG 17 HH22 ARG 17 -12.213 15.645 15.645
149 H GLY 18 HN GLY 18 -10.168 8.236 8.236
150 1HA GLY 18 HA1 GLY 18 -11.134 6.381 6.381
151 2HA GLY 18 HA2 GLY 18 -10.220 5.763 5.763
152 H THR 19 HN THR 19 -13.262 5.949 5.949
153 HA THR 19 HA THR 19 -14.556 6.701 6.701
154 HB THR 19 HB THR 19 -15.563 7.429 7.429
155 HG1 THR 19 HG1 THR 19 -16.755 6.585 6.585
156 1HG2 THR 19 HG23 THR 19 -14.816 5.277 5.277
157 2HG2 THR 19 HG21 THR 19 -16.232 4.519 4.519
158 3HG2 THR 19 HG22 THR 19 -16.431 5.869 5.869
159 H ASP 20 HN ASP 20 -12.875 4.151 4.151
160 HA ASP 20 HA ASP 20 -14.701 2.319 2.319
161 1HB ASP 20 HB1 ASP 20 -14.620 2.050 2.050
162 2HB ASP 20 HB2 ASP 20 -13.160 1.141 1.141
163 H SER 21 HN SER 21 -13.142 2.836 2.836
164 HA SER 21 HA SER 21 -10.815 1.046 1.046
165 1HB SER 21 HB1 SER 21 -10.336 3.604 3.604
166 2HB SER 21 HB2 SER 21 -10.286 3.754 3.754
167 HG SER 21 HG SER 21 -8.912 1.693 1.693
168 H ASN 22 HN ASN 22 -9.759 2.337 2.337
169 HA ASN 22 HA ASN 22 -10.022 2.072 2.072
170 1HB ASN 22 HB1 ASN 22 -12.077 3.590 3.590
171 2HB ASN 22 HB2 ASN 22 -13.001 2.143 2.143
172 1HD2 ASN 22 HD22 ASN 22 -12.247 4.412 4.412
173 2HD2 ASN 22 HD21 ASN 22 -12.700 4.839 4.839
174 H ALA 23 HN ALA 23 -10.495 -0.199 -0.199
175 HA ALA 23 HA ALA 23 -11.267 -2.195 -2.195
176 1HB ALA 23 HB1 ALA 23 -12.634 -1.649 -1.649
177 2HB ALA 23 HB2 ALA 23 -12.570 -3.302 -3.302
178 3HB ALA 23 HB3 ALA 23 -13.343 -2.036 -2.036
179 H GLU 24 HN GLU 24 -10.251 -1.764 -1.764
180 HA GLU 24 HA GLU 24 -8.813 -4.292 -4.292
181 1HB GLU 24 HB1 GLU 24 -9.041 -2.040 -2.040
182 2HB GLU 24 HB2 GLU 24 -8.027 -3.457 -3.457
183 1HG GLU 24 HG1 GLU 24 -10.347 -4.655 -4.655
184 2HG GLU 24 HG2 GLU 24 -10.982 -3.207 -3.207
185 H LEU 25 HN LEU 25 -8.131 -1.271 -1.271
186 HA LEU 25 HA LEU 25 -5.524 -0.620 -0.620
187 1HB LEU 25 HB1 LEU 25 -6.826 -0.648 -0.648
188 2HB LEU 25 HB2 LEU 25 -5.229 0.041 0.041
189 HG LEU 25 HG LEU 25 -7.424 0.894 0.894
190 1HD1 LEU 25 HD12 LEU 25 -8.464 0.930 0.930
191 2HD1 LEU 25 HD13 LEU 25 -7.142 1.952 1.952
192 3HD1 LEU 25 HD11 LEU 25 -8.255 2.547 2.547
193 1HD2 LEU 25 HD21 LEU 25 -4.874 1.607 1.607
194 2HD2 LEU 25 HD22 LEU 25 -6.113 2.802 2.802
195 3HD2 LEU 25 HD23 LEU 25 -5.484 2.682 2.682
196 H ARG 26 HN ARG 26 -6.604 -3.329 -3.329
197 HA ARG 26 HA ARG 26 -3.923 -4.102 -4.102
198 1HB ARG 26 HB1 ARG 26 -6.569 -5.580 -5.580
199 2HB ARG 26 HB2 ARG 26 -5.074 -6.262 -6.262
200 1HG ARG 26 HG1 ARG 26 -5.937 -3.541 -3.541
201 2HG ARG 26 HG2 ARG 26 -6.736 -4.962 -4.962
202 1HD ARG 26 HD1 ARG 26 -4.910 -4.549 -4.549
203 2HD ARG 26 HD2 ARG 26 -4.364 -5.871 -5.871
204 HE ARG 26 HE ARG 26 -2.620 -4.413 -4.413
205 1HH1 ARG 26 HH21 ARG 26 -4.644 -2.436 -2.436
206 2HH1 ARG 26 HH22 ARG 26 -4.400 -1.018 -1.018
207 1HH2 ARG 26 HH11 ARG 26 -2.690 -2.696 -2.696
208 2HH2 ARG 26 HH12 ARG 26 -3.295 -1.166 -1.166
209 H ALA 27 HN ALA 27 -6.219 -5.282 -5.282
210 HA ALA 27 HA ALA 27 -4.561 -7.354 -7.354
211 1HB ALA 27 HB1 ALA 27 -6.999 -5.984 -5.984
212 2HB ALA 27 HB2 ALA 27 -5.985 -6.368 -6.368
213 3HB ALA 27 HB3 ALA 27 -6.507 -7.650 -7.650
214 H MET 28 HN MET 28 -4.197 -3.964 -3.964
215 HA MET 28 HA MET 28 -2.909 -3.672 -3.672
216 1HB MET 28 HB1 MET 28 -3.609 -1.713 -1.713
217 2HB MET 28 HB2 MET 28 -2.550 -2.144 -2.144
218 1HG MET 28 HG1 MET 28 -0.746 -1.229 -1.229
219 2HG MET 28 HG2 MET 28 -1.121 -2.015 -2.015
220 1HE MET 28 HE3 MET 28 -3.428 -1.496 -1.496
221 2HE MET 28 HE1 MET 28 -3.814 0.142 0.142
222 3HE MET 28 HE2 MET 28 -2.333 -0.644 -0.644
223 H GLU 29 HN GLU 29 -1.652 -4.537 -4.537
224 HA GLU 29 HA GLU 29 1.115 -4.513 -4.513
225 1HB GLU 29 HB1 GLU 29 -0.353 -6.339 -6.339
226 2HB GLU 29 HB2 GLU 29 1.386 -6.041 -6.041
227 1HG GLU 29 HG1 GLU 29 -0.704 -3.870 -3.870
228 2HG GLU 29 HG2 GLU 29 0.124 -4.657 -4.657
229 H ALA 30 HN ALA 30 -1.356 -7.023 -7.023
230 HA ALA 30 HA ALA 30 0.364 -9.137 -9.137
231 1HB ALA 30 HB2 ALA 30 -2.447 -8.620 -8.620
232 2HB ALA 30 HB3 ALA 30 -2.051 -9.276 -9.276
233 3HB ALA 30 HB1 ALA 30 -1.628 -10.176 -10.176
234 H LYS 31 HN LYS 31 -1.580 -7.034 -7.034
235 HA LYS 31 HA LYS 31 -0.240 -7.851 -7.851
236 1HB LYS 31 HB1 LYS 31 -1.655 -5.231 -5.231
237 2HB LYS 31 HB2 LYS 31 -1.279 -5.877 -5.877
238 1HG LYS 31 HG1 LYS 31 -2.777 -7.715 -7.715
239 2HG LYS 31 HG2 LYS 31 -2.930 -7.408 -7.408
240 1HD LYS 31 HD1 LYS 31 -3.646 -5.061 -5.061
241 2HD LYS 31 HD2 LYS 31 -4.625 -6.457 -6.457
242 1HE LYS 31 HE1 LYS 31 -4.604 -6.671 -6.671
243 2HE LYS 31 HE2 LYS 31 -4.578 -4.920 -4.920
244 1HZ LYS 31 HZ2 LYS 31 -6.397 -5.767 -5.767
245 2HZ LYS 31 HZ3 LYS 31 -6.692 -6.786 -6.786
246 3HZ LYS 31 HZ1 LYS 31 -6.760 -5.102 -5.102
247 H LEU 32 HN LEU 32 0.731 -5.715 -5.715
248 HA LEU 32 HA LEU 32 2.373 -3.857 -3.857
249 1HB LEU 32 HB1 LEU 32 1.950 -4.081 -4.081
250 2HB LEU 32 HB2 LEU 32 3.208 -5.318 -5.318
251 HG LEU 32 HG LEU 32 3.637 -2.538 -2.538
252 1HD1 LEU 32 HD12 LEU 32 3.150 -3.070 -3.070
253 2HD1 LEU 32 HD13 LEU 32 4.905 -3.225 -3.225
254 3HD1 LEU 32 HD11 LEU 32 4.126 -1.725 -1.725
255 1HD2 LEU 32 HD22 LEU 32 5.295 -4.976 -4.976
256 2HD2 LEU 32 HD23 LEU 32 5.366 -3.828 -3.828
257 3HD2 LEU 32 HD21 LEU 32 6.059 -3.402 -3.402
258 H LYS 33 HN LYS 33 3.645 -6.890 -6.890
259 HA LYS 33 HA LYS 33 6.109 -6.845 -6.845
260 1HB LYS 33 HB1 LYS 33 4.774 -8.601 -8.601
261 2HB LYS 33 HB2 LYS 33 5.151 -9.559 -9.559
262 1HG LYS 33 HG1 LYS 33 7.496 -8.958 -8.958
263 2HG LYS 33 HG2 LYS 33 7.165 -7.817 -7.817
264 1HD LYS 33 HD1 LYS 33 6.057 -10.184 -10.184
265 2HD LYS 33 HD2 LYS 33 7.520 -10.725 -10.725
266 1HE LYS 33 HE1 LYS 33 8.912 -9.620 -9.620
267 2HE LYS 33 HE2 LYS 33 7.754 -8.321 -8.321
268 1HZ LYS 33 HZ3 LYS 33 6.448 -10.408 -10.408
269 2HZ LYS 33 HZ1 LYS 33 8.047 -10.871 -10.871
270 3HZ LYS 33 HZ2 LYS 33 7.456 -9.390 -9.390
271 H ALA 34 HN ALA 34 2.949 -7.521 -7.521
272 HA ALA 34 HA ALA 34 3.756 -9.177 -9.177
273 1HB ALA 34 HB3 ALA 34 1.341 -8.515 -8.515
274 2HB ALA 34 HB1 ALA 34 1.316 -7.566 -7.566
275 3HB ALA 34 HB2 ALA 34 1.527 -9.315 -9.315
276 H GLU 35 HN GLU 35 3.200 -5.699 -5.699
277 HA GLU 35 HA GLU 35 3.590 -5.032 -5.032
278 1HB GLU 35 HB1 GLU 35 3.618 -3.415 -3.415
279 2HB GLU 35 HB2 GLU 35 3.955 -2.686 -2.686
280 1HG GLU 35 HG1 GLU 35 1.781 -2.894 -2.894
281 2HG GLU 35 HG2 GLU 35 1.530 -4.402 -4.402
282 H ILE 36 HN ILE 36 5.688 -4.669 -4.669
283 HA ILE 36 HA ILE 36 7.967 -3.726 -3.726
284 HB ILE 36 HB ILE 36 9.220 -4.909 -4.909
285 1HG1 ILE 36 HG11 ILE 36 6.602 -4.967 -4.967
286 2HG1 ILE 36 HG12 ILE 36 6.911 -6.290 -6.290
287 1HG2 ILE 36 HG21 ILE 36 7.135 -2.745 -2.745
288 2HG2 ILE 36 HG22 ILE 36 8.204 -3.192 -3.192
289 3HG2 ILE 36 HG23 ILE 36 8.880 -2.561 -2.561
290 1HD1 ILE 36 HD12 ILE 36 9.313 -6.129 -6.129
291 2HD1 ILE 36 HD13 ILE 36 8.201 -5.668 -5.668
292 3HD1 ILE 36 HD11 ILE 36 8.010 -7.220 -7.220
293 H GLN 37 HN GLN 37 6.743 -7.002 -7.002
294 HA GLN 37 HA GLN 37 9.032 -8.449 -8.449
295 1HB GLN 37 HB1 GLN 37 6.635 -9.238 -9.238
296 2HB GLN 37 HB2 GLN 37 6.314 -9.315 -9.315
297 1HG GLN 37 HG1 GLN 37 8.275 -10.782 -10.782
298 2HG GLN 37 HG2 GLN 37 8.615 -10.688 -10.688
299 1HE2 GLN 37 HE22 GLN 37 6.711 -13.741 -13.741
300 2HE2 GLN 37 HE21 GLN 37 8.294 -13.134 -13.134
301 H LYS 38 HN LYS 38 6.268 -7.388 -7.388
302 HA LYS 38 HA LYS 38 7.608 -8.034 -8.034
303 1HB LYS 38 HB1 LYS 38 5.113 -6.568 -6.568
304 2HB LYS 38 HB2 LYS 38 5.743 -6.360 -6.360
305 1HG LYS 38 HG1 LYS 38 5.704 -8.784 -8.784
306 2HG LYS 38 HG2 LYS 38 5.169 -9.036 -9.036
307 1HD LYS 38 HD1 LYS 38 3.628 -7.411 -7.411
308 2HD LYS 38 HD2 LYS 38 3.306 -9.110 -9.110
309 1HE LYS 38 HE1 LYS 38 3.177 -6.820 -6.820
310 2HE LYS 38 HE2 LYS 38 1.796 -7.679 -7.679
311 1HZ LYS 38 HZ1 LYS 38 3.067 -9.739 -9.739
312 2HZ LYS 38 HZ2 LYS 38 3.765 -8.587 -8.587
313 3HZ LYS 38 HZ3 LYS 38 2.080 -8.802 -8.802
314 1HN NH2 39 1HN NH2 39 9.896 -6.364 -6.364
315 2HN NH2 39 2HN NH2 39 9.344 -5.254 -5.254
Start of MODEL 18
1 1H2 SIN 0 1H2 SIN 0 15.726 3.819 3.819
2 2H2 SIN 0 2H2 SIN 0 15.776 2.446 2.446
3 1H3 SIN 0 1H3 SIN 0 14.091 3.284 3.284
4 2H3 SIN 0 2H3 SIN 0 14.501 4.963 4.963
5 H ASP 1 HN ASP 1 14.247 5.282 5.282
6 HA ASP 1 HA ASP 1 11.652 4.476 4.476
7 1HB ASP 1 HB1 ASP 1 13.056 5.631 5.631
8 2HB ASP 1 HB2 ASP 1 13.232 7.013 7.013
9 H TRP 2 HN TRP 2 12.720 7.098 7.098
10 HA TRP 2 HA TRP 2 10.196 8.335 8.335
11 1HB TRP 2 HB1 TRP 2 11.124 9.439 9.439
12 2HB TRP 2 HB2 TRP 2 12.424 9.275 9.275
13 HD1 TRP 2 HD1 TRP 2 14.097 7.183 7.183
14 HE1 TRP 2 HE1 TRP 2 14.934 6.081 6.081
15 HE3 TRP 2 HE3 TRP 2 10.538 8.863 8.863
16 HZ2 TRP 2 HZ2 TRP 2 14.157 5.938 5.938
17 HZ3 TRP 2 HZ3 TRP 2 10.595 8.239 8.239
18 HH2 TRP 2 HH2 TRP 2 12.403 6.777 6.777
19 H LEU 3 HN LEU 3 11.661 5.563 5.563
20 HA LEU 3 HA LEU 3 9.909 5.352 5.352
21 1HB LEU 3 HB1 LEU 3 11.815 3.623 3.623
22 2HB LEU 3 HB2 LEU 3 10.456 2.726 2.726
23 HG LEU 3 HG LEU 3 11.261 4.715 4.715
24 1HD1 LEU 3 HD11 LEU 3 13.429 4.493 4.493
25 2HD1 LEU 3 HD12 LEU 3 13.537 2.864 2.864
26 3HD1 LEU 3 HD13 LEU 3 13.557 4.262 4.262
27 1HD2 LEU 3 HD22 LEU 3 10.808 1.831 1.831
28 2HD2 LEU 3 HD23 LEU 3 10.466 2.926 2.926
29 3HD2 LEU 3 HD21 LEU 3 12.078 2.234 2.234
30 H LYS 4 HN LYS 4 9.258 4.862 4.862
31 HA LYS 4 HA LYS 4 7.045 3.010 3.010
32 1HB LYS 4 HB1 LYS 4 7.911 4.780 4.780
33 2HB LYS 4 HB2 LYS 4 6.445 3.801 3.801
34 1HG LYS 4 HG1 LYS 4 7.826 1.784 1.784
35 2HG LYS 4 HG2 LYS 4 9.271 2.794 2.794
36 1HD LYS 4 HD1 LYS 4 8.545 3.450 3.450
37 2HD LYS 4 HD2 LYS 4 7.334 2.172 2.172
38 1HE LYS 4 HE1 LYS 4 9.835 1.096 1.096
39 2HE LYS 4 HE2 LYS 4 10.106 1.931 1.931
40 1HZ LYS 4 HZ1 LYS 4 8.217 0.707 0.707
41 2HZ LYS 4 HZ2 LYS 4 8.045 -0.140 -0.140
42 3HZ LYS 4 HZ3 LYS 4 9.449 -0.334 -0.334
43 H ALA 5 HN ALA 5 7.456 6.492 6.492
44 HA ALA 5 HA ALA 5 4.555 6.964 6.964
45 1HB ALA 5 HB1 ALA 5 6.957 8.806 8.806
46 2HB ALA 5 HB2 ALA 5 5.291 9.374 9.374
47 3HB ALA 5 HB3 ALA 5 5.864 8.568 8.568
48 H ARG 6 HN ARG 6 7.292 6.823 6.823
49 HA ARG 6 HA ARG 6 5.739 7.954 7.954
50 1HB ARG 6 HB1 ARG 6 7.733 8.032 8.032
51 2HB ARG 6 HB2 ARG 6 8.314 8.198 8.198
52 1HG ARG 6 HG1 ARG 6 9.676 6.452 6.452
53 2HG ARG 6 HG2 ARG 6 8.232 5.453 5.453
54 1HD ARG 6 HD1 ARG 6 7.843 6.190 6.190
55 2HD ARG 6 HD2 ARG 6 9.587 6.449 6.449
56 HE ARG 6 HE ARG 6 8.862 3.852 3.852
57 1HH1 ARG 6 HH21 ARG 6 11.196 4.728 4.728
58 2HH1 ARG 6 HH22 ARG 6 10.831 3.806 3.806
59 1HH2 ARG 6 HH11 ARG 6 7.588 3.077 3.077
60 2HH2 ARG 6 HH12 ARG 6 8.790 2.869 2.869
61 H VAL 7 HN VAL 7 6.340 4.867 4.867
62 HA VAL 7 HA VAL 7 5.804 3.401 3.401
63 HB VAL 7 HB VAL 7 7.340 2.535 2.535
64 1HG1 VAL 7 HG13 VAL 7 5.935 3.319 3.319
65 2HG1 VAL 7 HG11 VAL 7 4.730 2.103 2.103
66 3HG1 VAL 7 HG12 VAL 7 6.333 1.605 1.605
67 1HG2 VAL 7 HG22 VAL 7 4.897 0.875 0.875
68 2HG2 VAL 7 HG23 VAL 7 6.383 0.994 0.994
69 3HG2 VAL 7 HG21 VAL 7 6.403 0.218 0.218
70 H GLU 8 HN GLU 8 4.058 4.601 4.601
71 HA GLU 8 HA GLU 8 1.742 2.906 2.906
72 1HB GLU 8 HB1 GLU 8 2.471 4.503 4.503
73 2HB GLU 8 HB2 GLU 8 1.599 5.729 5.729
74 1HG GLU 8 HG1 GLU 8 0.087 3.241 3.241
75 2HG GLU 8 HG2 GLU 8 0.477 3.910 3.910
76 H GLN 9 HN GLN 9 2.414 6.230 6.230
77 HA GLN 9 HA GLN 9 -0.037 6.673 6.673
78 1HB GLN 9 HB1 GLN 9 1.703 8.412 8.412
79 2HB GLN 9 HB2 GLN 9 2.713 7.616 7.616
80 1HG GLN 9 HG1 GLN 9 0.014 8.065 8.065
81 2HG GLN 9 HG2 GLN 9 0.771 9.575 9.575
82 1HE2 GLN 9 HE22 GLN 9 3.370 9.379 9.379
83 2HE2 GLN 9 HE21 GLN 9 3.031 9.976 9.976
84 H GLU 10 HN GLU 10 2.947 5.160 5.160
85 HA GLU 10 HA GLU 10 2.039 4.740 4.740
86 1HB GLU 10 HB1 GLU 10 4.396 4.443 4.443
87 2HB GLU 10 HB2 GLU 10 3.925 3.008 3.008
88 1HG GLU 10 HG1 GLU 10 4.753 2.222 2.222
89 2HG GLU 10 HG2 GLU 10 2.996 2.081 2.081
90 H LEU 11 HN LEU 11 1.889 2.570 2.570
91 HA LEU 11 HA LEU 11 0.547 0.441 0.441
92 1HB LEU 11 HB1 LEU 11 0.662 1.278 1.278
93 2HB LEU 11 HB2 LEU 11 -0.203 -0.165 -0.165
94 HG LEU 11 HG LEU 11 2.706 0.372 0.372
95 1HD1 LEU 11 HD13 LEU 11 1.406 -0.744 -0.744
96 2HD1 LEU 11 HD11 LEU 11 2.749 -1.687 -1.687
97 3HD1 LEU 11 HD12 LEU 11 2.996 -0.003 -0.003
98 1HD2 LEU 11 HD22 LEU 11 0.753 -1.540 -1.540
99 2HD2 LEU 11 HD23 LEU 11 2.451 -1.426 -1.426
100 3HD2 LEU 11 HD21 LEU 11 1.981 -2.384 -2.384
101 H GLN 12 HN GLN 12 -0.556 3.545 3.545
102 HA GLN 12 HA GLN 12 -3.301 2.971 2.971
103 1HB GLN 12 HB1 GLN 12 -1.754 5.243 5.243
104 2HB GLN 12 HB2 GLN 12 -2.800 5.474 5.474
105 1HG GLN 12 HG1 GLN 12 -4.771 5.326 5.326
106 2HG GLN 12 HG2 GLN 12 -3.901 4.630 4.630
107 1HE2 GLN 12 HE22 GLN 12 -4.177 8.644 8.644
108 2HE2 GLN 12 HE21 GLN 12 -4.996 7.587 7.587
109 H ALA 13 HN ALA 13 -1.514 2.875 2.875
110 HA ALA 13 HA ALA 13 -3.585 3.438 3.438
111 1HB ALA 13 HB2 ALA 13 -1.031 1.870 1.870
112 2HB ALA 13 HB3 ALA 13 -2.154 1.723 1.723
113 3HB ALA 13 HB1 ALA 13 -1.485 3.299 3.299
114 H LEU 14 HN LEU 14 -3.108 0.780 0.780
115 HA LEU 14 HA LEU 14 -4.604 -1.179 -1.179
116 1HB LEU 14 HB1 LEU 14 -3.020 -1.211 -1.211
117 2HB LEU 14 HB2 LEU 14 -4.641 -1.631 -1.631
118 HG LEU 14 HG LEU 14 -4.426 -3.095 -3.095
119 1HD1 LEU 14 HD12 LEU 14 -1.721 -2.622 -2.622
120 2HD1 LEU 14 HD13 LEU 14 -2.103 -4.270 -4.270
121 3HD1 LEU 14 HD11 LEU 14 -2.185 -2.951 -2.951
122 1HD2 LEU 14 HD23 LEU 14 -5.259 -3.815 -3.815
123 2HD2 LEU 14 HD21 LEU 14 -4.220 -5.018 -5.018
124 3HD2 LEU 14 HD22 LEU 14 -3.584 -3.994 -3.994
125 H GLU 15 HN GLU 15 -5.472 0.064 0.064
126 HA GLU 15 HA GLU 15 -8.219 -0.439 -0.439
127 1HB GLU 15 HB1 GLU 15 -8.481 1.405 1.405
128 2HB GLU 15 HB2 GLU 15 -7.205 0.258 0.258
129 1HG GLU 15 HG1 GLU 15 -5.549 1.803 1.803
130 2HG GLU 15 HG2 GLU 15 -6.361 2.549 2.549
131 H ALA 16 HN ALA 16 -6.368 2.030 2.030
132 HA ALA 16 HA ALA 16 -8.260 4.034 4.034
133 1HB ALA 16 HB1 ALA 16 -5.747 3.456 3.456
134 2HB ALA 16 HB2 ALA 16 -6.746 3.251 3.251
135 3HB ALA 16 HB3 ALA 16 -6.759 4.785 4.785
136 H ARG 17 HN ARG 17 -7.631 1.313 1.313
137 HA ARG 17 HA ARG 17 -10.443 1.606 1.606
138 1HB ARG 17 HB1 ARG 17 -9.693 0.312 0.312
139 2HB ARG 17 HB2 ARG 17 -8.694 1.746 1.746
140 1HG ARG 17 HG1 ARG 17 -6.865 0.441 0.441
141 2HG ARG 17 HG2 ARG 17 -7.559 -0.377 -0.377
142 1HD ARG 17 HD1 ARG 17 -7.458 -2.201 -2.201
143 2HD ARG 17 HD2 ARG 17 -8.984 -1.554 -1.554
144 HE ARG 17 HE ARG 17 -6.394 -0.840 -0.840
145 1HH1 ARG 17 HH21 ARG 17 -9.623 -0.430 -0.430
146 2HH1 ARG 17 HH22 ARG 17 -9.744 -1.193 -1.193
147 1HH2 ARG 17 HH11 ARG 17 -6.541 -2.513 -2.513
148 2HH2 ARG 17 HH12 ARG 17 -8.000 -2.373 -2.373
149 H GLY 18 HN GLY 18 -10.133 0.367 0.367
150 1HA GLY 18 HA1 GLY 18 -11.042 -2.377 -2.377
151 2HA GLY 18 HA2 GLY 18 -9.716 -2.214 -2.214
152 H THR 19 HN THR 19 -13.015 -2.520 -2.520
153 HA THR 19 HA THR 19 -13.505 -0.987 -0.987
154 HB THR 19 HB THR 19 -15.934 -1.363 -1.363
155 HG1 THR 19 HG1 THR 19 -15.223 -3.192 -3.192
156 1HG2 THR 19 HG22 THR 19 -14.415 0.637 0.637
157 2HG2 THR 19 HG23 THR 19 -14.549 -0.067 -0.067
158 3HG2 THR 19 HG21 THR 19 -15.998 0.455 0.455
159 H ASP 20 HN ASP 20 -12.337 -3.844 -3.844
160 HA ASP 20 HA ASP 20 -14.185 -5.279 -5.279
161 1HB ASP 20 HB1 ASP 20 -13.784 -6.205 -6.205
162 2HB ASP 20 HB2 ASP 20 -12.173 -6.626 -6.626
163 H SER 21 HN SER 21 -12.673 -3.769 -3.769
164 HA SER 21 HA SER 21 -11.006 -5.469 -5.469
165 1HB SER 21 HB1 SER 21 -9.480 -5.417 -5.417
166 2HB SER 21 HB2 SER 21 -9.493 -3.656 -3.656
167 HG SER 21 HG SER 21 -7.750 -4.121 -4.121
168 H ASN 22 HN ASN 22 -12.991 -3.408 -3.408
169 HA ASN 22 HA ASN 22 -11.511 -1.122 -1.122
170 1HB ASN 22 HB1 ASN 22 -13.717 -0.165 -0.165
171 2HB ASN 22 HB2 ASN 22 -13.631 -0.761 -0.761
172 1HD2 ASN 22 HD22 ASN 22 -16.115 -2.589 -2.589
173 2HD2 ASN 22 HD21 ASN 22 -14.966 -1.459 -1.459
174 H ALA 23 HN ALA 23 -11.689 -4.029 -4.029
175 HA ALA 23 HA ALA 23 -12.413 -3.326 -3.326
176 1HB ALA 23 HB3 ALA 23 -13.552 -5.303 -5.303
177 2HB ALA 23 HB1 ALA 23 -12.339 -6.187 -6.187
178 3HB ALA 23 HB2 ALA 23 -13.582 -5.257 -5.257
179 H GLU 24 HN GLU 24 -10.212 -5.168 -5.168
180 HA GLU 24 HA GLU 24 -8.459 -5.816 -5.816
181 1HB GLU 24 HB1 GLU 24 -8.389 -6.316 -6.316
182 2HB GLU 24 HB2 GLU 24 -6.955 -6.599 -6.599
183 1HG GLU 24 HG1 GLU 24 -9.630 -7.739 -7.739
184 2HG GLU 24 HG2 GLU 24 -8.605 -8.578 -8.578
185 H LEU 25 HN LEU 25 -9.061 -2.974 -2.974
186 HA LEU 25 HA LEU 25 -6.650 -1.908 -1.908
187 1HB LEU 25 HB1 LEU 25 -8.983 -0.763 -0.763
188 2HB LEU 25 HB2 LEU 25 -7.553 0.243 0.243
189 HG LEU 25 HG LEU 25 -8.918 -1.230 -1.230
190 1HD1 LEU 25 HD11 LEU 25 -10.097 0.792 0.792
191 2HD1 LEU 25 HD12 LEU 25 -9.237 1.696 1.696
192 3HD1 LEU 25 HD13 LEU 25 -10.412 0.462 0.462
193 1HD2 LEU 25 HD23 LEU 25 -6.553 -0.529 -0.529
194 2HD2 LEU 25 HD21 LEU 25 -7.649 0.358 0.358
195 3HD2 LEU 25 HD22 LEU 25 -7.008 1.129 1.129
196 H ARG 26 HN ARG 26 -7.611 -2.623 -2.623
197 HA ARG 26 HA ARG 26 -5.353 -1.228 -1.228
198 1HB ARG 26 HB1 ARG 26 -7.662 -2.766 -2.766
199 2HB ARG 26 HB2 ARG 26 -6.202 -3.132 -3.132
200 1HG ARG 26 HG1 ARG 26 -6.295 -1.136 -1.136
201 2HG ARG 26 HG2 ARG 26 -6.417 -0.282 -0.282
202 1HD ARG 26 HD1 ARG 26 -8.677 -1.508 -1.508
203 2HD ARG 26 HD2 ARG 26 -8.421 0.202 0.202
204 HE ARG 26 HE ARG 26 -9.362 -1.835 -1.835
205 1HH1 ARG 26 HH21 ARG 26 -7.698 1.086 1.086
206 2HH1 ARG 26 HH22 ARG 26 -8.806 1.929 1.929
207 1HH2 ARG 26 HH11 ARG 26 -11.158 -0.616 -0.616
208 2HH2 ARG 26 HH12 ARG 26 -10.763 0.967 0.967
209 H ALA 27 HN ALA 27 -6.105 -4.626 -4.626
210 HA ALA 27 HA ALA 27 -3.644 -5.676 -5.676
211 1HB ALA 27 HB3 ALA 27 -5.876 -6.884 -6.884
212 2HB ALA 27 HB1 ALA 27 -5.053 -6.982 -6.982
213 3HB ALA 27 HB2 ALA 27 -4.328 -7.719 -7.719
214 H MET 28 HN MET 28 -4.331 -3.791 -3.791
215 HA MET 28 HA MET 28 -2.358 -4.838 -4.838
216 1HB MET 28 HB1 MET 28 -4.110 -3.350 -3.350
217 2HB MET 28 HB2 MET 28 -3.549 -2.060 -2.060
218 1HG MET 28 HG1 MET 28 -2.100 -1.397 -1.397
219 2HG MET 28 HG2 MET 28 -1.310 -2.972 -2.972
220 1HE MET 28 HE1 MET 28 -2.178 -0.606 -0.606
221 2HE MET 28 HE2 MET 28 -1.110 -1.741 -1.741
222 3HE MET 28 HE3 MET 28 -2.669 -1.335 -1.335
223 H GLU 29 HN GLU 29 -2.228 -2.581 -2.581
224 HA GLU 29 HA GLU 29 0.312 -1.414 -1.414
225 1HB GLU 29 HB1 GLU 29 -1.429 -1.765 -1.765
226 2HB GLU 29 HB2 GLU 29 0.286 -1.556 -1.556
227 1HG GLU 29 HG1 GLU 29 0.328 0.597 0.597
228 2HG GLU 29 HG2 GLU 29 -0.900 0.267 0.267
229 H ALA 30 HN ALA 30 -0.585 -4.518 -4.518
230 HA ALA 30 HA ALA 30 1.989 -5.222 -5.222
231 1HB ALA 30 HB1 ALA 30 -0.527 -6.645 -6.645
232 2HB ALA 30 HB2 ALA 30 0.935 -7.629 -7.629
233 3HB ALA 30 HB3 ALA 30 0.442 -6.714 -6.714
234 H LYS 31 HN LYS 31 0.410 -5.955 -5.955
235 HA LYS 31 HA LYS 31 2.608 -7.380 -7.380
236 1HB LYS 31 HB1 LYS 31 0.166 -6.044 -6.044
237 2HB LYS 31 HB2 LYS 31 1.460 -6.367 -6.367
238 1HG LYS 31 HG1 LYS 31 1.444 -8.724 -8.724
239 2HG LYS 31 HG2 LYS 31 0.320 -8.451 -8.451
240 1HD LYS 31 HD1 LYS 31 -1.452 -8.544 -8.544
241 2HD LYS 31 HD2 LYS 31 -0.723 -7.363 -7.363
242 1HE LYS 31 HE1 LYS 31 -0.267 -9.004 -9.004
243 2HE LYS 31 HE2 LYS 31 0.726 -9.813 -9.813
244 1HZ LYS 31 HZ2 LYS 31 -1.370 -10.759 -10.759
245 2HZ LYS 31 HZ3 LYS 31 -2.190 -10.132 -10.132
246 3HZ LYS 31 HZ1 LYS 31 -0.983 -11.304 -11.304
247 H LEU 32 HN LEU 32 2.113 -4.002 -4.002
248 HA LEU 32 HA LEU 32 3.696 -2.854 -2.854
249 1HB LEU 32 HB1 LEU 32 2.429 -1.448 -1.448
250 2HB LEU 32 HB2 LEU 32 3.361 -2.028 -2.028
251 HG LEU 32 HG LEU 32 5.267 -1.120 -1.120
252 1HD1 LEU 32 HD12 LEU 32 3.106 0.028 0.028
253 2HD1 LEU 32 HD13 LEU 32 3.291 1.104 1.104
254 3HD1 LEU 32 HD11 LEU 32 4.581 0.976 0.976
255 1HD2 LEU 32 HD21 LEU 32 4.199 -0.347 -0.347
256 2HD2 LEU 32 HD22 LEU 32 5.862 -0.668 -0.668
257 3HD2 LEU 32 HD23 LEU 32 5.122 0.895 0.895
258 H LYS 33 HN LYS 33 4.684 -4.289 -4.289
259 HA LYS 33 HA LYS 33 7.421 -3.591 -3.591
260 1HB LYS 33 HB1 LYS 33 5.881 -5.021 -5.021
261 2HB LYS 33 HB2 LYS 33 6.799 -6.324 -6.324
262 1HG LYS 33 HG1 LYS 33 8.890 -4.932 -4.932
263 2HG LYS 33 HG2 LYS 33 7.875 -3.898 -3.898
264 1HD LYS 33 HD1 LYS 33 7.173 -6.314 -6.314
265 2HD LYS 33 HD2 LYS 33 8.823 -6.676 -6.676
266 1HE LYS 33 HE1 LYS 33 9.755 -5.125 -5.125
267 2HE LYS 33 HE2 LYS 33 8.283 -4.156 -4.156
268 1HZ LYS 33 HZ2 LYS 33 8.007 -6.871 -6.871
269 2HZ LYS 33 HZ3 LYS 33 9.032 -5.889 -5.889
270 3HZ LYS 33 HZ1 LYS 33 7.425 -5.419 -5.419
271 H ALA 34 HN ALA 34 5.657 -6.098 -6.098
272 HA ALA 34 HA ALA 34 7.885 -7.653 -7.653
273 1HB ALA 34 HB3 ALA 34 5.090 -7.219 -7.219
274 2HB ALA 34 HB1 ALA 34 6.223 -7.950 -7.950
275 3HB ALA 34 HB2 ALA 34 5.913 -8.721 -8.721
276 H GLU 35 HN GLU 35 6.508 -4.637 -4.637
277 HA GLU 35 HA GLU 35 8.110 -4.622 -4.622
278 1HB GLU 35 HB1 GLU 35 6.032 -3.020 -3.020
279 2HB GLU 35 HB2 GLU 35 7.387 -1.964 -1.964
280 1HG GLU 35 HG1 GLU 35 5.839 -2.222 -2.222
281 2HG GLU 35 HG2 GLU 35 7.433 -2.880 -2.880
282 H ILE 36 HN ILE 36 8.259 -2.485 -2.485
283 HA ILE 36 HA ILE 36 10.747 -1.316 -1.316
284 HB ILE 36 HB ILE 36 9.459 -2.065 -2.065
285 1HG1 ILE 36 HG11 ILE 36 9.678 0.706 0.706
286 2HG1 ILE 36 HG12 ILE 36 9.261 0.128 0.128
287 1HG2 ILE 36 HG22 ILE 36 12.082 -0.722 -0.722
288 2HG2 ILE 36 HG23 ILE 36 11.155 -0.235 -0.235
289 3HG2 ILE 36 HG21 ILE 36 11.699 -1.904 -1.904
290 1HD1 ILE 36 HD12 ILE 36 7.485 -1.322 -1.322
291 2HD1 ILE 36 HD13 ILE 36 7.720 -0.144 -0.144
292 3HD1 ILE 36 HD11 ILE 36 7.153 0.385 0.385
293 H GLN 37 HN GLN 37 10.040 -4.557 -4.557
294 HA GLN 37 HA GLN 37 12.388 -5.394 -5.394
295 1HB GLN 37 HB1 GLN 37 10.318 -6.783 -6.783
296 2HB GLN 37 HB2 GLN 37 11.157 -7.022 -7.022
297 1HG GLN 37 HG1 GLN 37 13.167 -7.784 -7.784
298 2HG GLN 37 HG2 GLN 37 12.059 -7.843 -7.843
299 1HE2 GLN 37 HE21 GLN 37 11.130 -9.869 -9.869
300 2HE2 GLN 37 HE22 GLN 37 10.847 -11.002 -11.002
301 H LYS 38 HN LYS 38 11.858 -5.484 -5.484
302 HA LYS 38 HA LYS 38 14.589 -6.038 -6.038
303 1HB LYS 38 HB1 LYS 38 12.853 -6.457 -6.457
304 2HB LYS 38 HB2 LYS 38 12.408 -4.751 -4.751
305 1HG LYS 38 HG1 LYS 38 13.848 -4.593 -4.593
306 2HG LYS 38 HG2 LYS 38 15.116 -4.662 -4.662
307 1HD LYS 38 HD1 LYS 38 15.024 -7.188 -7.188
308 2HD LYS 38 HD2 LYS 38 13.968 -6.965 -6.965
309 1HE LYS 38 HE1 LYS 38 15.977 -6.983 -6.983
310 2HE LYS 38 HE2 LYS 38 15.958 -5.274 -5.274
311 1HZ LYS 38 HZ1 LYS 38 17.001 -6.365 -6.365
312 2HZ LYS 38 HZ2 LYS 38 17.601 -7.430 -7.430
313 3HZ LYS 38 HZ3 LYS 38 17.930 -5.767 -5.767
314 1HN NH2 39 1HN NH2 39 14.175 -1.949 -1.949
315 2HN NH2 39 2HN NH2 39 12.845 -2.955 -2.955
Start of MODEL 19
1 1H2 SIN 0 1H2 SIN 0 -15.690 -4.188 -4.188
2 2H2 SIN 0 2H2 SIN 0 -14.088 -4.615 -4.615
3 1H3 SIN 0 1H3 SIN 0 -13.148 -2.564 -2.564
4 2H3 SIN 0 2H3 SIN 0 -14.685 -2.154 -2.154
5 H ASP 1 HN ASP 1 -13.794 -0.205 -0.205
6 HA ASP 1 HA ASP 1 -12.954 -1.430 -1.430
7 1HB ASP 1 HB1 ASP 1 -15.764 -0.678 -0.678
8 2HB ASP 1 HB2 ASP 1 -14.862 0.171 0.171
9 H TRP 2 HN TRP 2 -14.523 1.671 1.671
10 HA TRP 2 HA TRP 2 -12.925 3.385 3.385
11 1HB TRP 2 HB1 TRP 2 -13.527 5.135 5.135
12 2HB TRP 2 HB2 TRP 2 -14.904 4.032 4.032
13 HD1 TRP 2 HD1 TRP 2 -15.053 2.152 2.152
14 HE1 TRP 2 HE1 TRP 2 -14.386 2.292 2.292
15 HE3 TRP 2 HE3 TRP 2 -11.958 6.190 6.190
16 HZ2 TRP 2 HZ2 TRP 2 -12.730 3.919 3.919
17 HZ3 TRP 2 HZ3 TRP 2 -10.843 7.019 7.019
18 HH2 TRP 2 HH2 TRP 2 -11.227 5.888 5.888
19 H LEU 3 HN LEU 3 -12.215 1.828 1.828
20 HA LEU 3 HA LEU 3 -9.946 3.277 3.277
21 1HB LEU 3 HB1 LEU 3 -10.903 0.490 0.490
22 2HB LEU 3 HB2 LEU 3 -9.218 0.834 0.834
23 HG LEU 3 HG LEU 3 -10.735 3.003 3.003
24 1HD1 LEU 3 HD13 LEU 3 -12.602 1.176 1.176
25 2HD1 LEU 3 HD11 LEU 3 -11.847 0.455 0.455
26 3HD1 LEU 3 HD12 LEU 3 -12.503 2.090 2.090
27 1HD2 LEU 3 HD22 LEU 3 -8.729 1.223 1.223
28 2HD2 LEU 3 HD23 LEU 3 -9.334 2.606 2.606
29 3HD2 LEU 3 HD21 LEU 3 -10.023 1.005 1.005
30 H LYS 4 HN LYS 4 -10.169 0.556 0.556
31 HA LYS 4 HA LYS 4 -7.478 0.070 0.070
32 1HB LYS 4 HB1 LYS 4 -9.957 -0.082 -0.082
33 2HB LYS 4 HB2 LYS 4 -8.481 0.068 0.068
34 1HG LYS 4 HG1 LYS 4 -7.715 -1.994 -1.994
35 2HG LYS 4 HG2 LYS 4 -8.359 -1.844 -1.844
36 1HD LYS 4 HD1 LYS 4 -9.704 -3.522 -3.522
37 2HD LYS 4 HD2 LYS 4 -10.687 -2.066 -2.066
38 1HE LYS 4 HE1 LYS 4 -9.997 -1.791 -1.791
39 2HE LYS 4 HE2 LYS 4 -8.838 -3.113 -3.113
40 1HZ LYS 4 HZ3 LYS 4 -11.548 -3.789 -3.789
41 2HZ LYS 4 HZ1 LYS 4 -11.350 -3.389 -3.389
42 3HZ LYS 4 HZ2 LYS 4 -10.434 -4.646 -4.646
43 H ALA 5 HN ALA 5 -9.437 2.794 2.794
44 HA ALA 5 HA ALA 5 -7.359 3.923 3.923
45 1HB ALA 5 HB2 ALA 5 -9.749 4.497 4.497
46 2HB ALA 5 HB3 ALA 5 -9.747 5.266 5.266
47 3HB ALA 5 HB1 ALA 5 -8.775 5.941 5.941
48 H ARG 6 HN ARG 6 -8.545 4.771 4.771
49 HA ARG 6 HA ARG 6 -6.381 6.660 6.660
50 1HB ARG 6 HB1 ARG 6 -7.296 6.926 6.926
51 2HB ARG 6 HB2 ARG 6 -8.616 6.914 6.914
52 1HG ARG 6 HG1 ARG 6 -9.490 5.358 5.358
53 2HG ARG 6 HG2 ARG 6 -8.439 4.263 4.263
54 1HD ARG 6 HD1 ARG 6 -8.125 3.997 3.997
55 2HD ARG 6 HD2 ARG 6 -6.658 4.603 4.603
56 HE ARG 6 HE ARG 6 -7.105 6.783 6.783
57 1HH1 ARG 6 HH11 ARG 6 -8.285 4.161 4.161
58 2HH1 ARG 6 HH12 ARG 6 -9.402 5.052 5.052
59 1HH2 ARG 6 HH21 ARG 6 -9.003 8.009 8.009
60 2HH2 ARG 6 HH22 ARG 6 -9.807 7.230 7.230
61 H VAL 7 HN VAL 7 -6.254 3.417 3.417
62 HA VAL 7 HA VAL 7 -4.619 2.930 2.930
63 HB VAL 7 HB VAL 7 -5.445 1.192 1.192
64 1HG1 VAL 7 HG11 VAL 7 -3.435 0.756 0.756
65 2HG1 VAL 7 HG12 VAL 7 -4.434 -0.604 -0.604
66 3HG1 VAL 7 HG13 VAL 7 -3.397 0.217 0.217
67 1HG2 VAL 7 HG21 VAL 7 -6.667 1.910 1.910
68 2HG2 VAL 7 HG22 VAL 7 -7.185 0.649 0.649
69 3HG2 VAL 7 HG23 VAL 7 -6.093 0.256 0.256
70 H GLU 8 HN GLU 8 -3.993 2.288 2.288
71 HA GLU 8 HA GLU 8 -1.227 2.097 2.097
72 1HB GLU 8 HB1 GLU 8 -2.722 1.885 1.885
73 2HB GLU 8 HB2 GLU 8 -2.656 3.644 3.644
74 1HG GLU 8 HG1 GLU 8 -0.870 3.011 3.011
75 2HG GLU 8 HG2 GLU 8 -0.057 3.268 3.268
76 H GLN 9 HN GLN 9 -3.162 5.077 5.077
77 HA GLN 9 HA GLN 9 -0.968 6.892 6.892
78 1HB GLN 9 HB1 GLN 9 -3.751 7.097 7.097
79 2HB GLN 9 HB2 GLN 9 -3.185 7.905 7.905
80 1HG GLN 9 HG1 GLN 9 -1.556 9.185 9.185
81 2HG GLN 9 HG2 GLN 9 -2.375 8.498 8.498
82 1HE2 GLN 9 HE22 GLN 9 -4.277 11.541 11.541
83 2HE2 GLN 9 HE21 GLN 9 -2.924 10.869 10.869
84 H GLU 10 HN GLU 10 -2.759 5.645 5.645
85 HA GLU 10 HA GLU 10 -1.378 7.030 7.030
86 1HB GLU 10 HB1 GLU 10 -3.309 5.115 5.115
87 2HB GLU 10 HB2 GLU 10 -1.932 4.174 4.174
88 1HG GLU 10 HG1 GLU 10 -2.120 6.813 6.813
89 2HG GLU 10 HG2 GLU 10 -3.531 5.801 5.801
90 H LEU 11 HN LEU 11 -0.530 3.885 3.885
91 HA LEU 11 HA LEU 11 1.818 3.403 3.403
92 1HB LEU 11 HB1 LEU 11 1.263 2.698 2.698
93 2HB LEU 11 HB2 LEU 11 2.519 1.975 1.975
94 HG LEU 11 HG LEU 11 -0.376 1.956 1.956
95 1HD1 LEU 11 HD11 LEU 11 0.534 0.753 0.753
96 2HD1 LEU 11 HD12 LEU 11 0.618 -0.542 -0.542
97 3HD1 LEU 11 HD13 LEU 11 -0.909 0.293 0.293
98 1HD2 LEU 11 HD22 LEU 11 1.601 1.421 1.421
99 2HD2 LEU 11 HD23 LEU 11 0.331 0.201 0.201
100 3HD2 LEU 11 HD21 LEU 11 1.841 -0.022 -0.022
101 H GLN 12 HN GLN 12 1.311 5.379 5.379
102 HA GLN 12 HA GLN 12 4.015 5.900 5.900
103 1HB GLN 12 HB1 GLN 12 1.840 6.619 6.619
104 2HB GLN 12 HB2 GLN 12 1.882 8.026 8.026
105 1HG GLN 12 HG1 GLN 12 4.485 7.453 7.453
106 2HG GLN 12 HG2 GLN 12 3.237 7.772 7.772
107 1HE2 GLN 12 HE21 GLN 12 5.535 9.535 9.535
108 2HE2 GLN 12 HE22 GLN 12 4.810 10.984 10.984
109 H ALA 13 HN ALA 13 1.907 7.403 7.403
110 HA ALA 13 HA ALA 13 3.807 9.457 9.457
111 1HB ALA 13 HB3 ALA 13 1.143 8.639 8.639
112 2HB ALA 13 HB1 ALA 13 2.108 8.908 8.908
113 3HB ALA 13 HB2 ALA 13 1.932 10.195 10.195
114 H LEU 14 HN LEU 14 3.255 6.130 6.130
115 HA LEU 14 HA LEU 14 4.766 6.220 6.220
116 1HB LEU 14 HB1 LEU 14 4.135 3.927 3.927
117 2HB LEU 14 HB2 LEU 14 4.889 3.731 3.731
118 HG LEU 14 HG LEU 14 2.215 5.086 5.086
119 1HD1 LEU 14 HD13 LEU 14 2.816 2.347 2.347
120 2HD1 LEU 14 HD11 LEU 14 2.156 2.585 2.585
121 3HD1 LEU 14 HD12 LEU 14 1.219 3.066 3.066
122 1HD2 LEU 14 HD23 LEU 14 3.685 4.166 4.166
123 2HD2 LEU 14 HD21 LEU 14 3.365 5.835 5.835
124 3HD2 LEU 14 HD22 LEU 14 2.030 4.775 4.775
125 H GLU 15 HN GLU 15 5.643 5.704 5.704
126 HA GLU 15 HA GLU 15 8.453 5.173 5.173
127 1HB GLU 15 HB1 GLU 15 6.913 5.035 5.035
128 2HB GLU 15 HB2 GLU 15 8.677 5.049 5.049
129 1HG GLU 15 HG1 GLU 15 8.567 2.817 2.817
130 2HG GLU 15 HG2 GLU 15 8.021 3.196 3.196
131 H ALA 16 HN ALA 16 6.496 7.830 7.830
132 HA ALA 16 HA ALA 16 8.345 9.469 9.469
133 1HB ALA 16 HB2 ALA 16 6.052 10.247 10.247
134 2HB ALA 16 HB3 ALA 16 6.890 11.345 11.345
135 3HB ALA 16 HB1 ALA 16 5.950 10.000 10.000
136 H ARG 17 HN ARG 17 8.273 8.405 8.405
137 HA ARG 17 HA ARG 17 10.683 9.884 9.884
138 1HB ARG 17 HB1 ARG 17 9.547 10.997 10.997
139 2HB ARG 17 HB2 ARG 17 9.319 11.755 11.755
140 1HG ARG 17 HG1 ARG 17 7.341 9.662 9.662
141 2HG ARG 17 HG2 ARG 17 7.282 11.044 11.044
142 1HD ARG 17 HD1 ARG 17 7.543 11.661 11.661
143 2HD ARG 17 HD2 ARG 17 5.993 11.003 11.003
144 HE ARG 17 HE ARG 17 6.603 13.030 13.030
145 1HH1 ARG 17 HH11 ARG 17 4.849 12.547 12.547
146 2HH1 ARG 17 HH12 ARG 17 4.819 14.203 14.203
147 1HH2 ARG 17 HH21 ARG 17 7.142 15.244 15.244
148 2HH2 ARG 17 HH22 ARG 17 6.118 15.729 15.729
149 H GLY 18 HN GLY 18 10.401 7.218 7.218
150 1HA GLY 18 HA1 GLY 18 9.798 6.416 6.416
151 2HA GLY 18 HA2 GLY 18 9.942 5.306 5.306
152 H THR 19 HN THR 19 11.390 4.616 4.616
153 HA THR 19 HA THR 19 14.164 5.570 5.570
154 HB THR 19 HB THR 19 14.368 4.259 4.259
155 HG1 THR 19 HG1 THR 19 12.005 4.107 4.107
156 1HG2 THR 19 HG22 THR 19 14.752 6.797 6.797
157 2HG2 THR 19 HG23 THR 19 13.495 7.063 7.063
158 3HG2 THR 19 HG21 THR 19 15.021 6.311 6.311
159 H ASP 20 HN ASP 20 12.406 3.319 3.319
160 HA ASP 20 HA ASP 20 14.530 1.420 1.420
161 1HB ASP 20 HB1 ASP 20 12.867 1.029 1.029
162 2HB ASP 20 HB2 ASP 20 12.594 -0.283 -0.283
163 H SER 21 HN SER 21 13.030 2.745 2.745
164 HA SER 21 HA SER 21 10.714 1.200 1.200
165 1HB SER 21 HB1 SER 21 11.119 2.667 2.667
166 2HB SER 21 HB2 SER 21 10.516 3.416 3.416
167 HG SER 21 HG SER 21 13.274 3.207 3.207
168 H ASN 22 HN ASN 22 10.958 0.871 0.871
169 HA ASN 22 HA ASN 22 11.776 -0.646 -0.646
170 1HB ASN 22 HB1 ASN 22 14.460 -0.182 -0.182
171 2HB ASN 22 HB2 ASN 22 14.148 -0.674 -0.674
172 1HD2 ASN 22 HD22 ASN 22 14.086 2.675 2.675
173 2HD2 ASN 22 HD21 ASN 22 14.481 1.058 1.058
174 H ALA 23 HN ALA 23 11.206 -1.435 -1.435
175 HA ALA 23 HA ALA 23 12.223 -4.199 -4.199
176 1HB ALA 23 HB1 ALA 23 13.687 -2.904 -2.904
177 2HB ALA 23 HB2 ALA 23 12.272 -2.641 -2.641
178 3HB ALA 23 HB3 ALA 23 12.879 -4.276 -4.276
179 H GLU 24 HN GLU 24 10.062 -2.016 -2.016
180 HA GLU 24 HA GLU 24 8.299 -4.220 -4.220
181 1HB GLU 24 HB1 GLU 24 8.025 -1.224 -1.224
182 2HB GLU 24 HB2 GLU 24 6.905 -2.415 -2.415
183 1HG GLU 24 HG1 GLU 24 9.680 -3.058 -3.058
184 2HG GLU 24 HG2 GLU 24 9.220 -1.465 -1.465
185 H LEU 25 HN LEU 25 8.787 -3.084 -3.084
186 HA LEU 25 HA LEU 25 6.180 -2.141 -2.141
187 1HB LEU 25 HB1 LEU 25 8.601 -3.193 -3.193
188 2HB LEU 25 HB2 LEU 25 7.102 -2.840 -2.840
189 HG LEU 25 HG LEU 25 7.879 -0.696 -0.696
190 1HD1 LEU 25 HD13 LEU 25 10.130 -1.597 -1.597
191 2HD1 LEU 25 HD11 LEU 25 9.677 -1.228 -1.228
192 3HD1 LEU 25 HD12 LEU 25 9.826 0.072 0.072
193 1HD2 LEU 25 HD22 LEU 25 6.154 -0.613 -0.613
194 2HD2 LEU 25 HD23 LEU 25 7.358 0.672 0.672
195 3HD2 LEU 25 HD21 LEU 25 7.469 -0.725 -0.725
196 H ARG 26 HN ARG 26 7.776 -5.148 -5.148
197 HA ARG 26 HA ARG 26 5.347 -6.458 -6.458
198 1HB ARG 26 HB1 ARG 26 8.079 -7.058 -7.058
199 2HB ARG 26 HB2 ARG 26 7.402 -8.313 -8.313
200 1HG ARG 26 HG1 ARG 26 6.702 -9.341 -9.341
201 2HG ARG 26 HG2 ARG 26 5.537 -8.030 -8.030
202 1HD ARG 26 HD1 ARG 26 8.371 -8.043 -8.043
203 2HD ARG 26 HD2 ARG 26 6.906 -8.291 -8.291
204 HE ARG 26 HE ARG 26 6.418 -5.867 -5.867
205 1HH1 ARG 26 HH21 ARG 26 9.502 -5.817 -5.817
206 2HH1 ARG 26 HH22 ARG 26 9.884 -4.923 -4.923
207 1HH2 ARG 26 HH11 ARG 26 6.735 -5.310 -5.310
208 2HH2 ARG 26 HH12 ARG 26 8.316 -4.633 -4.633
209 H ALA 27 HN ALA 27 7.225 -6.449 -6.449
210 HA ALA 27 HA ALA 27 5.719 -8.434 -8.434
211 1HB ALA 27 HB3 ALA 27 7.895 -6.848 -6.848
212 2HB ALA 27 HB1 ALA 27 6.649 -6.210 -6.210
213 3HB ALA 27 HB2 ALA 27 7.076 -7.920 -7.920
214 H MET 28 HN MET 28 5.229 -4.940 -4.940
215 HA MET 28 HA MET 28 2.990 -4.806 -4.806
216 1HB MET 28 HB1 MET 28 4.315 -2.812 -2.812
217 2HB MET 28 HB2 MET 28 3.701 -2.971 -2.971
218 1HG MET 28 HG1 MET 28 1.726 -2.013 -2.013
219 2HG MET 28 HG2 MET 28 1.566 -3.000 -3.000
220 1HE MET 28 HE1 MET 28 3.713 -0.450 -0.450
221 2HE MET 28 HE2 MET 28 4.151 0.746 0.746
222 3HE MET 28 HE3 MET 28 4.926 -0.836 -0.836
223 H GLU 29 HN GLU 29 3.355 -5.990 -5.990
224 HA GLU 29 HA GLU 29 0.725 -5.466 -5.466
225 1HB GLU 29 HB1 GLU 29 2.771 -6.310 -6.310
226 2HB GLU 29 HB2 GLU 29 2.388 -7.907 -7.907
227 1HG GLU 29 HG1 GLU 29 1.286 -7.810 -7.810
228 2HG GLU 29 HG2 GLU 29 0.016 -7.521 -7.521
229 H ALA 30 HN ALA 30 2.046 -8.050 -8.050
230 HA ALA 30 HA ALA 30 -0.245 -9.756 -9.756
231 1HB ALA 30 HB1 ALA 30 2.255 -9.599 -9.599
232 2HB ALA 30 HB2 ALA 30 0.932 -10.091 -10.091
233 3HB ALA 30 HB3 ALA 30 1.287 -11.017 -11.017
234 H LYS 31 HN LYS 31 0.528 -6.907 -6.907
235 HA LYS 31 HA LYS 31 -1.727 -7.310 -7.310
236 1HB LYS 31 HB1 LYS 31 0.499 -5.372 -5.372
237 2HB LYS 31 HB2 LYS 31 -0.989 -4.740 -4.740
238 1HG LYS 31 HG1 LYS 31 -0.694 -5.916 -5.916
239 2HG LYS 31 HG2 LYS 31 -0.237 -7.380 -7.380
240 1HD LYS 31 HD1 LYS 31 1.981 -6.940 -6.940
241 2HD LYS 31 HD2 LYS 31 1.765 -5.229 -5.229
242 1HE LYS 31 HE1 LYS 31 1.014 -4.795 -4.795
243 2HE LYS 31 HE2 LYS 31 1.089 -6.515 -6.515
244 1HZ LYS 31 HZ2 LYS 31 3.516 -5.362 -5.362
245 2HZ LYS 31 HZ3 LYS 31 3.082 -4.809 -4.809
246 3HZ LYS 31 HZ1 LYS 31 3.313 -6.467 -6.467
247 H LEU 32 HN LEU 32 -1.235 -5.941 -5.941
248 HA LEU 32 HA LEU 32 -3.047 -3.792 -3.792
249 1HB LEU 32 HB1 LEU 32 -1.537 -4.946 -4.946
250 2HB LEU 32 HB2 LEU 32 -3.075 -5.705 -5.705
251 HG LEU 32 HG LEU 32 -3.635 -2.971 -2.971
252 1HD1 LEU 32 HD11 LEU 32 -1.089 -3.456 -3.456
253 2HD1 LEU 32 HD12 LEU 32 -2.115 -2.069 -2.069
254 3HD1 LEU 32 HD13 LEU 32 -1.412 -2.245 -2.245
255 1HD2 LEU 32 HD23 LEU 32 -4.480 -4.811 -4.811
256 2HD2 LEU 32 HD21 LEU 32 -4.594 -3.099 -3.099
257 3HD2 LEU 32 HD22 LEU 32 -3.276 -4.074 -4.074
258 H LYS 33 HN LYS 33 -3.881 -7.100 -7.100
259 HA LYS 33 HA LYS 33 -6.697 -6.626 -6.626
260 1HB LYS 33 HB1 LYS 33 -5.331 -9.318 -9.318
261 2HB LYS 33 HB2 LYS 33 -6.949 -8.986 -8.986
262 1HG LYS 33 HG1 LYS 33 -6.133 -8.560 -8.560
263 2HG LYS 33 HG2 LYS 33 -4.974 -7.399 -7.399
264 1HD LYS 33 HD1 LYS 33 -3.913 -9.824 -9.824
265 2HD LYS 33 HD2 LYS 33 -4.579 -10.202 -10.202
266 1HE LYS 33 HE1 LYS 33 -3.314 -8.409 -8.409
267 2HE LYS 33 HE2 LYS 33 -2.786 -7.820 -7.820
268 1HZ LYS 33 HZ2 LYS 33 -2.167 -10.569 -10.569
269 2HZ LYS 33 HZ3 LYS 33 -1.514 -9.676 -9.676
270 3HZ LYS 33 HZ1 LYS 33 -1.125 -9.263 -9.263
271 H ALA 34 HN ALA 34 -4.464 -7.020 -7.020
272 HA ALA 34 HA ALA 34 -6.232 -8.421 -8.421
273 1HB ALA 34 HB2 ALA 34 -3.762 -8.532 -8.532
274 2HB ALA 34 HB3 ALA 34 -3.727 -6.800 -6.800
275 3HB ALA 34 HB1 ALA 34 -4.517 -7.898 -7.898
276 H GLU 35 HN GLU 35 -5.637 -5.115 -5.115
277 HA GLU 35 HA GLU 35 -7.079 -4.052 -4.052
278 1HB GLU 35 HB1 GLU 35 -5.066 -3.009 -3.009
279 2HB GLU 35 HB2 GLU 35 -6.467 -2.256 -2.256
280 1HG GLU 35 HG1 GLU 35 -6.212 -0.728 -0.728
281 2HG GLU 35 HG2 GLU 35 -7.111 -1.925 -1.925
282 H ILE 36 HN ILE 36 -7.537 -4.414 -4.414
283 HA ILE 36 HA ILE 36 -9.905 -3.003 -3.003
284 HB ILE 36 HB ILE 36 -10.443 -4.656 -4.656
285 1HG1 ILE 36 HG11 ILE 36 -8.088 -6.227 -6.227
286 2HG1 ILE 36 HG12 ILE 36 -9.759 -6.630 -6.630
287 1HG2 ILE 36 HG22 ILE 36 -8.148 -3.074 -3.074
288 2HG2 ILE 36 HG23 ILE 36 -7.551 -4.630 -4.630
289 3HG2 ILE 36 HG21 ILE 36 -8.799 -3.772 -3.772
290 1HD1 ILE 36 HD13 ILE 36 -8.814 -6.317 -6.317
291 2HD1 ILE 36 HD11 ILE 36 -8.697 -7.857 -7.857
292 3HD1 ILE 36 HD12 ILE 36 -10.274 -7.115 -7.115
293 H GLN 37 HN GLN 37 -9.470 -6.119 -6.119
294 HA GLN 37 HA GLN 37 -12.123 -7.013 -7.013
295 1HB GLN 37 HB1 GLN 37 -10.310 -8.355 -8.355
296 2HB GLN 37 HB2 GLN 37 -9.950 -7.126 -7.126
297 1HG GLN 37 HG1 GLN 37 -11.977 -7.540 -7.540
298 2HG GLN 37 HG2 GLN 37 -12.669 -8.433 -8.433
299 1HE2 GLN 37 HE22 GLN 37 -10.269 -11.224 -11.224
300 2HE2 GLN 37 HE21 GLN 37 -10.573 -10.198 -10.198
301 H LYS 38 HN LYS 38 -10.568 -5.259 -5.259
302 HA LYS 38 HA LYS 38 -13.194 -4.311 -4.311
303 1HB LYS 38 HB1 LYS 38 -10.477 -4.466 -4.466
304 2HB LYS 38 HB2 LYS 38 -11.417 -3.057 -3.057
305 1HG LYS 38 HG1 LYS 38 -12.281 -5.958 -5.958
306 2HG LYS 38 HG2 LYS 38 -11.833 -4.905 -4.905
307 1HD LYS 38 HD1 LYS 38 -13.735 -3.370 -3.370
308 2HD LYS 38 HD2 LYS 38 -14.325 -4.955 -4.955
309 1HE LYS 38 HE1 LYS 38 -13.491 -4.506 -4.506
310 2HE LYS 38 HE2 LYS 38 -15.081 -3.966 -3.966
311 1HZ LYS 38 HZ3 LYS 38 -15.234 -6.331 -6.331
312 2HZ LYS 38 HZ1 LYS 38 -13.996 -6.700 -6.700
313 3HZ LYS 38 HZ2 LYS 38 -15.485 -6.110 -6.110
314 1HN NH2 39 1HN NH2 39 -12.234 -1.568 -1.568
315 2HN NH2 39 2HN NH2 39 -12.605 -3.217 -3.217
Start of MODEL 20
1 1H2 SIN 0 1H2 SIN 0 15.949 -0.722 -0.722
2 2H2 SIN 0 2H2 SIN 0 15.707 -1.270 -1.270
3 1H3 SIN 0 1H3 SIN 0 14.918 1.429 1.429
4 2H3 SIN 0 2H3 SIN 0 16.230 1.119 1.119
5 H ASP 1 HN ASP 1 15.740 1.011 1.011
6 HA ASP 1 HA ASP 1 13.269 0.171 0.171
7 1HB ASP 1 HB1 ASP 1 15.453 0.356 0.356
8 2HB ASP 1 HB2 ASP 1 15.194 2.099 2.099
9 H TRP 2 HN TRP 2 14.398 3.430 3.430
10 HA TRP 2 HA TRP 2 12.325 4.918 4.918
11 1HB TRP 2 HB1 TRP 2 12.908 6.692 6.692
12 2HB TRP 2 HB2 TRP 2 14.401 5.832 5.832
13 HD1 TRP 2 HD1 TRP 2 15.158 3.935 3.935
14 HE1 TRP 2 HE1 TRP 2 14.950 3.940 3.940
15 HE3 TRP 2 HE3 TRP 2 11.550 7.484 7.484
16 HZ2 TRP 2 HZ2 TRP 2 13.423 5.284 5.284
17 HZ3 TRP 2 HZ3 TRP 2 10.728 8.111 8.111
18 HH2 TRP 2 HH2 TRP 2 11.661 7.015 7.015
19 H LEU 3 HN LEU 3 12.465 3.345 3.345
20 HA LEU 3 HA LEU 3 10.109 4.312 4.312
21 1HB LEU 3 HB1 LEU 3 11.693 1.822 1.822
22 2HB LEU 3 HB2 LEU 3 10.024 1.722 1.722
23 HG LEU 3 HG LEU 3 11.300 4.205 4.205
24 1HD1 LEU 3 HD12 LEU 3 12.907 1.811 1.811
25 2HD1 LEU 3 HD13 LEU 3 12.493 2.335 2.335
26 3HD1 LEU 3 HD11 LEU 3 13.313 3.442 3.442
27 1HD2 LEU 3 HD23 LEU 3 9.576 2.052 2.052
28 2HD2 LEU 3 HD21 LEU 3 9.531 3.783 3.783
29 3HD2 LEU 3 HD22 LEU 3 10.651 2.746 2.746
30 H LYS 4 HN LYS 4 10.465 2.057 2.057
31 HA LYS 4 HA LYS 4 7.841 0.923 0.923
32 1HB LYS 4 HB1 LYS 4 10.050 0.591 0.591
33 2HB LYS 4 HB2 LYS 4 8.969 1.464 1.464
34 1HG LYS 4 HG1 LYS 4 8.066 -0.580 -0.580
35 2HG LYS 4 HG2 LYS 4 7.269 -0.373 -0.373
36 1HD LYS 4 HD1 LYS 4 8.381 -2.190 -2.190
37 2HD LYS 4 HD2 LYS 4 9.885 -1.282 -1.282
38 1HE LYS 4 HE1 LYS 4 9.870 -3.451 -3.451
39 2HE LYS 4 HE2 LYS 4 10.144 -2.039 -2.039
40 1HZ LYS 4 HZ1 LYS 4 7.378 -2.865 -2.865
41 2HZ LYS 4 HZ2 LYS 4 8.340 -3.868 -3.868
42 3HZ LYS 4 HZ3 LYS 4 8.129 -2.232 -2.232
43 H ALA 5 HN ALA 5 9.129 3.825 3.825
44 HA ALA 5 HA ALA 5 6.557 4.580 4.580
45 1HB ALA 5 HB3 ALA 5 9.274 5.826 5.826
46 2HB ALA 5 HB1 ALA 5 7.899 6.859 6.859
47 3HB ALA 5 HB2 ALA 5 8.304 5.493 5.493
48 H ARG 6 HN ARG 6 8.326 5.325 5.325
49 HA ARG 6 HA ARG 6 6.403 7.402 7.402
50 1HB ARG 6 HB1 ARG 6 7.840 7.951 7.951
51 2HB ARG 6 HB2 ARG 6 8.968 7.290 7.290
52 1HG ARG 6 HG1 ARG 6 9.647 5.983 5.983
53 2HG ARG 6 HG2 ARG 6 8.226 5.020 5.020
54 1HD ARG 6 HD1 ARG 6 7.436 7.253 7.253
55 2HD ARG 6 HD2 ARG 6 8.750 6.380 6.380
56 HE ARG 6 HE ARG 6 6.809 4.507 4.507
57 1HH1 ARG 6 HH21 ARG 6 7.842 6.435 6.435
58 2HH1 ARG 6 HH22 ARG 6 6.560 5.948 5.948
59 1HH2 ARG 6 HH11 ARG 6 4.920 4.079 4.079
60 2HH2 ARG 6 HH12 ARG 6 4.907 4.613 4.613
61 H VAL 7 HN VAL 7 6.415 4.065 4.065
62 HA VAL 7 HA VAL 7 4.990 3.862 3.862
63 HB VAL 7 HB VAL 7 5.961 1.875 1.875
64 1HG1 VAL 7 HG11 VAL 7 3.917 1.460 1.460
65 2HG1 VAL 7 HG12 VAL 7 4.940 0.140 0.140
66 3HG1 VAL 7 HG13 VAL 7 3.839 0.943 0.943
67 1HG2 VAL 7 HG21 VAL 7 7.318 2.873 2.873
68 2HG2 VAL 7 HG22 VAL 7 7.358 1.129 1.129
69 3HG2 VAL 7 HG23 VAL 7 6.322 1.813 1.813
70 H GLU 8 HN GLU 8 4.336 3.710 3.710
71 HA GLU 8 HA GLU 8 1.614 2.820 2.820
72 1HB GLU 8 HB1 GLU 8 3.108 4.363 4.363
73 2HB GLU 8 HB2 GLU 8 1.417 3.893 3.893
74 1HG GLU 8 HG1 GLU 8 1.984 1.550 1.550
75 2HG GLU 8 HG2 GLU 8 3.650 1.939 1.939
76 H GLN 9 HN GLN 9 2.940 6.109 6.109
77 HA GLN 9 HA GLN 9 0.435 7.444 7.444
78 1HB GLN 9 HB1 GLN 9 1.777 9.477 9.477
79 2HB GLN 9 HB2 GLN 9 2.453 8.500 8.500
80 1HG GLN 9 HG1 GLN 9 4.158 7.609 7.609
81 2HG GLN 9 HG2 GLN 9 3.412 8.384 8.384
82 1HE2 GLN 9 HE22 GLN 9 5.897 10.884 10.884
83 2HE2 GLN 9 HE21 GLN 9 5.563 9.516 9.516
84 H GLU 10 HN GLU 10 2.407 5.919 5.919
85 HA GLU 10 HA GLU 10 1.542 7.582 7.582
86 1HB GLU 10 HB1 GLU 10 3.741 6.217 6.217
87 2HB GLU 10 HB2 GLU 10 2.744 4.833 4.833
88 1HG GLU 10 HG1 GLU 10 2.354 7.244 7.244
89 2HG GLU 10 HG2 GLU 10 3.949 6.502 6.502
90 H LEU 11 HN LEU 11 0.908 4.225 4.225
91 HA LEU 11 HA LEU 11 -1.085 3.721 3.721
92 1HB LEU 11 HB1 LEU 11 -0.644 2.441 2.441
93 2HB LEU 11 HB2 LEU 11 -1.723 1.807 1.807
94 HG LEU 11 HG LEU 11 1.234 2.323 2.323
95 1HD1 LEU 11 HD11 LEU 11 0.220 0.380 0.380
96 2HD1 LEU 11 HD12 LEU 11 0.227 -0.453 -0.453
97 3HD1 LEU 11 HD13 LEU 11 1.723 0.222 0.222
98 1HD2 LEU 11 HD22 LEU 11 -0.814 2.018 2.018
99 2HD2 LEU 11 HD23 LEU 11 0.882 1.655 1.655
100 3HD2 LEU 11 HD21 LEU 11 -0.218 0.367 0.367
101 H GLN 12 HN GLN 12 -1.186 5.331 5.331
102 HA GLN 12 HA GLN 12 -3.908 5.113 5.113
103 1HB GLN 12 HB1 GLN 12 -3.653 7.216 7.216
104 2HB GLN 12 HB2 GLN 12 -2.154 6.301 6.301
105 1HG GLN 12 HG1 GLN 12 -1.191 8.253 8.253
106 2HG GLN 12 HG2 GLN 12 -1.651 7.678 7.678
107 1HE2 GLN 12 HE22 GLN 12 -3.097 11.157 11.157
108 2HE2 GLN 12 HE21 GLN 12 -1.598 10.491 10.491
109 H ALA 13 HN ALA 13 -2.450 6.692 6.692
110 HA ALA 13 HA ALA 13 -4.438 8.647 8.647
111 1HB ALA 13 HB2 ALA 13 -2.080 7.836 7.836
112 2HB ALA 13 HB3 ALA 13 -3.275 7.280 7.280
113 3HB ALA 13 HB1 ALA 13 -3.210 8.983 8.983
114 H LEU 14 HN LEU 14 -4.115 5.285 5.285
115 HA LEU 14 HA LEU 14 -6.695 5.367 5.367
116 1HB LEU 14 HB1 LEU 14 -6.334 3.001 3.001
117 2HB LEU 14 HB2 LEU 14 -4.809 3.850 3.850
118 HG LEU 14 HG LEU 14 -5.114 3.056 3.056
119 1HD1 LEU 14 HD12 LEU 14 -6.477 1.248 1.248
120 2HD1 LEU 14 HD13 LEU 14 -5.042 0.813 0.813
121 3HD1 LEU 14 HD11 LEU 14 -5.039 0.653 0.653
122 1HD2 LEU 14 HD23 LEU 14 -3.140 2.552 2.552
123 2HD2 LEU 14 HD21 LEU 14 -2.961 3.632 3.632
124 3HD2 LEU 14 HD22 LEU 14 -2.915 1.885 1.885
125 H GLU 15 HN GLU 15 -5.624 4.716 4.716
126 HA GLU 15 HA GLU 15 -8.146 3.332 3.332
127 1HB GLU 15 HB1 GLU 15 -5.908 2.626 2.626
128 2HB GLU 15 HB2 GLU 15 -5.879 4.151 4.151
129 1HG GLU 15 HG1 GLU 15 -8.437 2.827 2.827
130 2HG GLU 15 HG2 GLU 15 -7.119 1.751 1.751
131 H ALA 16 HN ALA 16 -7.131 6.486 6.486
132 HA ALA 16 HA ALA 16 -8.510 7.614 7.614
133 1HB ALA 16 HB3 ALA 16 -6.947 8.660 8.660
134 2HB ALA 16 HB1 ALA 16 -8.146 9.745 9.745
135 3HB ALA 16 HB2 ALA 16 -6.855 9.090 9.090
136 H ARG 17 HN ARG 17 -9.352 6.620 6.620
137 HA ARG 17 HA ARG 17 -12.146 7.135 7.135
138 1HB ARG 17 HB1 ARG 17 -12.441 8.852 8.852
139 2HB ARG 17 HB2 ARG 17 -11.546 9.463 9.463
140 1HG ARG 17 HG1 ARG 17 -9.659 9.770 9.770
141 2HG ARG 17 HG2 ARG 17 -9.829 8.212 8.212
142 1HD ARG 17 HD1 ARG 17 -10.410 9.381 9.381
143 2HD ARG 17 HD2 ARG 17 -11.931 9.731 9.731
144 HE ARG 17 HE ARG 17 -10.033 11.694 11.694
145 1HH1 ARG 17 HH11 ARG 17 -8.867 12.258 12.258
146 2HH1 ARG 17 HH12 ARG 17 -10.043 12.976 12.976
147 1HH2 ARG 17 HH21 ARG 17 -12.760 11.849 11.849
148 2HH2 ARG 17 HH22 ARG 17 -12.248 12.745 12.745
149 H GLY 18 HN GLY 18 -11.936 4.857 4.857
150 1HA GLY 18 HA1 GLY 18 -11.713 4.601 4.601
151 2HA GLY 18 HA2 GLY 18 -11.136 3.346 3.346
152 H THR 19 HN THR 19 -12.767 2.145 2.145
153 HA THR 19 HA THR 19 -15.582 2.548 2.548
154 HB THR 19 HB THR 19 -15.810 0.483 0.483
155 HG1 THR 19 HG1 THR 19 -13.368 0.388 0.388
156 1HG2 THR 19 HG22 THR 19 -16.122 3.144 3.144
157 2HG2 THR 19 HG23 THR 19 -14.824 2.859 2.859
158 3HG2 THR 19 HG21 THR 19 -16.350 1.988 1.988
159 H ASP 20 HN ASP 20 -14.706 -0.683 -0.683
160 HA ASP 20 HA ASP 20 -15.401 -1.400 -1.400
161 1HB ASP 20 HB1 ASP 20 -14.969 -3.054 -3.054
162 2HB ASP 20 HB2 ASP 20 -15.329 -3.754 -3.754
163 H SER 21 HN SER 21 -13.018 -0.147 -0.147
164 HA SER 21 HA SER 21 -10.833 -2.069 -2.069
165 1HB SER 21 HB1 SER 21 -11.062 0.816 0.816
166 2HB SER 21 HB2 SER 21 -9.612 -0.074 -0.074
167 HG SER 21 HG SER 21 -9.818 -0.794 -0.794
168 H ASN 22 HN ASN 22 -13.170 -2.308 -2.308
169 HA ASN 22 HA ASN 22 -11.669 -2.246 -2.246
170 1HB ASN 22 HB1 ASN 22 -14.484 -3.268 -3.268
171 2HB ASN 22 HB2 ASN 22 -13.757 -2.651 -2.651
172 1HD2 ASN 22 HD22 ASN 22 -14.240 0.773 0.773
173 2HD2 ASN 22 HD21 ASN 22 -13.389 -0.288 -0.288
174 H ALA 23 HN ALA 23 -11.136 -4.161 -4.161
175 HA ALA 23 HA ALA 23 -11.362 -6.664 -6.664
176 1HB ALA 23 HB2 ALA 23 -12.157 -6.079 -6.079
177 2HB ALA 23 HB3 ALA 23 -11.135 -7.509 -7.509
178 3HB ALA 23 HB1 ALA 23 -12.648 -7.407 -7.407
179 H GLU 24 HN GLU 24 -9.537 -5.024 -5.024
180 HA GLU 24 HA GLU 24 -7.286 -6.767 -6.767
181 1HB GLU 24 HB1 GLU 24 -7.728 -3.942 -3.942
182 2HB GLU 24 HB2 GLU 24 -6.093 -4.602 -4.602
183 1HG GLU 24 HG1 GLU 24 -8.260 -6.241 -6.241
184 2HG GLU 24 HG2 GLU 24 -7.613 -4.869 -4.869
185 H LEU 25 HN LEU 25 -8.405 -4.526 -4.526
186 HA LEU 25 HA LEU 25 -6.193 -3.332 -3.332
187 1HB LEU 25 HB1 LEU 25 -8.656 -4.569 -4.569
188 2HB LEU 25 HB2 LEU 25 -7.367 -4.101 -4.101
189 HG LEU 25 HG LEU 25 -7.876 -2.050 -2.050
190 1HD1 LEU 25 HD11 LEU 25 -10.182 -3.317 -3.317
191 2HD1 LEU 25 HD12 LEU 25 -10.097 -2.206 -2.206
192 3HD1 LEU 25 HD13 LEU 25 -10.097 -1.578 -1.578
193 1HD2 LEU 25 HD23 LEU 25 -7.820 -2.222 -2.222
194 2HD2 LEU 25 HD21 LEU 25 -6.607 -1.517 -1.517
195 3HD2 LEU 25 HD22 LEU 25 -8.162 -0.715 -0.715
196 H ARG 26 HN ARG 26 -7.082 -6.762 -6.762
197 HA ARG 26 HA ARG 26 -4.964 -7.450 -7.450
198 1HB ARG 26 HB1 ARG 26 -6.294 -9.296 -9.296
199 2HB ARG 26 HB2 ARG 26 -5.533 -9.737 -9.737
200 1HG ARG 26 HG1 ARG 26 -7.777 -7.756 -7.756
201 2HG ARG 26 HG2 ARG 26 -8.174 -9.458 -9.458
202 1HD ARG 26 HD1 ARG 26 -8.099 -9.578 -9.578
203 2HD ARG 26 HD2 ARG 26 -6.349 -9.583 -9.583
204 HE ARG 26 HE ARG 26 -6.286 -7.312 -7.312
205 1HH1 ARG 26 HH21 ARG 26 -9.484 -8.305 -8.305
206 2HH1 ARG 26 HH22 ARG 26 -10.248 -7.055 -7.055
207 1HH2 ARG 26 HH11 ARG 26 -7.267 -5.765 -5.765
208 2HH2 ARG 26 HH12 ARG 26 -8.992 -5.616 -5.616
209 H ALA 27 HN ALA 27 -5.293 -7.698 -7.698
210 HA ALA 27 HA ALA 27 -2.626 -8.717 -8.717
211 1HB ALA 27 HB1 ALA 27 -4.701 -7.506 -7.506
212 2HB ALA 27 HB2 ALA 27 -3.078 -7.849 -7.849
213 3HB ALA 27 HB3 ALA 27 -4.085 -9.158 -9.158
214 H MET 28 HN MET 28 -3.722 -5.710 -5.710
215 HA MET 28 HA MET 28 -1.854 -4.025 -4.025
216 1HB MET 28 HB1 MET 28 -3.978 -3.208 -3.208
217 2HB MET 28 HB2 MET 28 -3.219 -3.469 -3.469
218 1HG MET 28 HG1 MET 28 -1.286 -1.999 -1.999
219 2HG MET 28 HG2 MET 28 -2.529 -1.461 -1.461
220 1HE MET 28 HE2 MET 28 -1.837 -2.382 -2.382
221 2HE MET 28 HE3 MET 28 -0.988 -0.839 -0.839
222 3HE MET 28 HE1 MET 28 -2.416 -1.042 -1.042
223 H GLU 29 HN GLU 29 -1.893 -5.526 -5.526
224 HA GLU 29 HA GLU 29 0.646 -4.418 -4.418
225 1HB GLU 29 HB1 GLU 29 -1.116 -6.647 -6.647
226 2HB GLU 29 HB2 GLU 29 0.532 -6.523 -6.523
227 1HG GLU 29 HG1 GLU 29 -0.632 -3.907 -3.907
228 2HG GLU 29 HG2 GLU 29 -1.762 -5.016 -5.016
229 H ALA 30 HN ALA 30 -0.321 -7.377 -7.377
230 HA ALA 30 HA ALA 30 2.212 -8.688 -8.688
231 1HB ALA 30 HB2 ALA 30 -0.038 -8.867 -8.867
232 2HB ALA 30 HB3 ALA 30 1.337 -9.971 -9.971
233 3HB ALA 30 HB1 ALA 30 0.203 -9.908 -9.908
234 H LYS 31 HN LYS 31 0.724 -6.820 -6.820
235 HA LYS 31 HA LYS 31 3.060 -6.801 -6.801
236 1HB LYS 31 HB1 LYS 31 1.963 -5.106 -5.106
237 2HB LYS 31 HB2 LYS 31 0.697 -6.183 -6.183
238 1HG LYS 31 HG1 LYS 31 0.621 -4.498 -4.498
239 2HG LYS 31 HG2 LYS 31 1.377 -3.393 -3.393
240 1HD LYS 31 HD1 LYS 31 -0.520 -4.146 -4.146
241 2HD LYS 31 HD2 LYS 31 -1.323 -4.726 -4.726
242 1HE LYS 31 HE1 LYS 31 -1.108 -2.459 -2.459
243 2HE LYS 31 HE2 LYS 31 -0.363 -1.891 -1.891
244 1HZ LYS 31 HZ2 LYS 31 -2.830 -3.286 -3.286
245 2HZ LYS 31 HZ3 LYS 31 -3.023 -1.904 -1.904
246 3HZ LYS 31 HZ1 LYS 31 -2.329 -1.767 -1.767
247 H LEU 32 HN LEU 32 2.343 -5.130 -5.130
248 HA LEU 32 HA LEU 32 3.736 -2.698 -2.698
249 1HB LEU 32 HB1 LEU 32 2.408 -3.453 -3.453
250 2HB LEU 32 HB2 LEU 32 3.807 -4.422 -4.422
251 HG LEU 32 HG LEU 32 5.008 -2.032 -2.032
252 1HD1 LEU 32 HD11 LEU 32 2.151 -1.506 -1.506
253 2HD1 LEU 32 HD12 LEU 32 3.439 -0.395 -0.395
254 3HD1 LEU 32 HD13 LEU 32 3.113 -0.702 -0.702
255 1HD2 LEU 32 HD23 LEU 32 4.786 -3.652 -3.652
256 2HD2 LEU 32 HD21 LEU 32 5.381 -2.002 -2.002
257 3HD2 LEU 32 HD22 LEU 32 3.702 -2.382 -2.382
258 H LYS 33 HN LYS 33 5.158 -5.470 -5.470
259 HA LYS 33 HA LYS 33 7.840 -4.566 -4.566
260 1HB LYS 33 HB1 LYS 33 8.486 -6.795 -6.795
261 2HB LYS 33 HB2 LYS 33 7.340 -5.929 -5.929
262 1HG LYS 33 HG1 LYS 33 5.913 -7.494 -7.494
263 2HG LYS 33 HG2 LYS 33 7.048 -8.523 -8.523
264 1HD LYS 33 HD1 LYS 33 5.468 -6.589 -6.589
265 2HD LYS 33 HD2 LYS 33 4.586 -7.956 -7.956
266 1HE LYS 33 HE1 LYS 33 5.731 -8.213 -8.213
267 2HE LYS 33 HE2 LYS 33 5.864 -9.528 -9.528
268 1HZ LYS 33 HZ1 LYS 33 7.880 -7.372 -7.372
269 2HZ LYS 33 HZ2 LYS 33 7.984 -8.749 -8.749
270 3HZ LYS 33 HZ3 LYS 33 8.024 -8.910 -8.910
271 H ALA 34 HN ALA 34 5.627 -6.012 -6.012
272 HA ALA 34 HA ALA 34 7.516 -7.709 -7.709
273 1HB ALA 34 HB2 ALA 34 4.809 -7.732 -7.732
274 2HB ALA 34 HB3 ALA 34 5.001 -6.853 -6.853
275 3HB ALA 34 HB1 ALA 34 5.686 -8.468 -8.468
276 H GLU 35 HN GLU 35 6.327 -4.421 -4.421
277 HA GLU 35 HA GLU 35 7.483 -3.989 -3.989
278 1HB GLU 35 HB1 GLU 35 5.337 -2.878 -2.878
279 2HB GLU 35 HB2 GLU 35 6.437 -1.838 -1.838
280 1HG GLU 35 HG1 GLU 35 7.443 -1.011 -1.011
281 2HG GLU 35 HG2 GLU 35 6.634 -2.235 -2.235
282 H ILE 36 HN ILE 36 8.204 -3.270 -3.270
283 HA ILE 36 HA ILE 36 10.193 -1.351 -1.351
284 HB ILE 36 HB ILE 36 11.254 -2.436 -2.436
285 1HG1 ILE 36 HG11 ILE 36 9.689 -4.582 -4.582
286 2HG1 ILE 36 HG12 ILE 36 9.779 -4.748 -4.748
287 1HG2 ILE 36 HG21 ILE 36 8.397 -1.838 -1.838
288 2HG2 ILE 36 HG22 ILE 36 8.746 -2.907 -2.907
289 3HG2 ILE 36 HG23 ILE 36 9.532 -1.332 -1.332
290 1HD1 ILE 36 HD11 ILE 36 12.386 -4.106 -4.106
291 2HD1 ILE 36 HD12 ILE 36 11.845 -5.202 -5.202
292 3HD1 ILE 36 HD13 ILE 36 11.797 -5.715 -5.715
293 H GLN 37 HN GLN 37 10.409 -4.735 -4.735
294 HA GLN 37 HA GLN 37 13.180 -5.049 -5.049
295 1HB GLN 37 HB1 GLN 37 10.971 -6.032 -6.032
296 2HB GLN 37 HB2 GLN 37 12.638 -6.608 -6.608
297 1HG GLN 37 HG1 GLN 37 12.457 -7.342 -7.342
298 2HG GLN 37 HG2 GLN 37 10.790 -6.768 -6.768
299 1HE2 GLN 37 HE22 GLN 37 11.646 -10.351 -10.351
300 2HE2 GLN 37 HE21 GLN 37 12.868 -9.379 -9.379
301 H LYS 38 HN LYS 38 11.053 -4.123 -4.123
302 HA LYS 38 HA LYS 38 13.312 -2.483 -2.483
303 1HB LYS 38 HB1 LYS 38 11.569 -4.452 -4.452
304 2HB LYS 38 HB2 LYS 38 11.704 -2.930 -2.930
305 1HG LYS 38 HG1 LYS 38 14.205 -3.113 -3.113
306 2HG LYS 38 HG2 LYS 38 13.978 -4.715 -4.715
307 1HD LYS 38 HD1 LYS 38 12.472 -4.374 -4.374
308 2HD LYS 38 HD2 LYS 38 14.203 -4.131 -4.131
309 1HE LYS 38 HE1 LYS 38 12.826 -6.553 -6.553
310 2HE LYS 38 HE2 LYS 38 13.776 -6.483 -6.483
311 1HZ LYS 38 HZ1 LYS 38 15.530 -5.543 -5.543
312 2HZ LYS 38 HZ2 LYS 38 14.656 -6.606 -6.606
313 3HZ LYS 38 HZ3 LYS 38 15.409 -7.182 -7.182
314 1HN NH2 39 1HN NH2 39 10.673 -0.241 -0.241
315 2HN NH2 39 2HN NH2 39 12.354 -0.478 -0.478
Start of MODEL 21
1 1H2 SIN 0 1H2 SIN 0 -16.181 -0.215 -0.215
2 2H2 SIN 0 2H2 SIN 0 -14.881 -1.268 -1.268
3 1H3 SIN 0 1H3 SIN 0 -13.794 -1.126 -1.126
4 2H3 SIN 0 2H3 SIN 0 -15.112 -0.122 -0.122
5 H ASP 1 HN ASP 1 -12.591 -0.043 -0.043
6 HA ASP 1 HA ASP 1 -12.787 1.454 1.454
7 1HB ASP 1 HB1 ASP 1 -15.210 1.340 1.340
8 2HB ASP 1 HB2 ASP 1 -15.169 2.447 2.447
9 H TRP 2 HN TRP 2 -14.112 3.894 3.894
10 HA TRP 2 HA TRP 2 -12.204 5.826 5.826
11 1HB TRP 2 HB1 TRP 2 -12.936 6.947 6.947
12 2HB TRP 2 HB2 TRP 2 -14.338 6.072 6.072
13 HD1 TRP 2 HD1 TRP 2 -14.829 3.669 3.669
14 HE1 TRP 2 HE1 TRP 2 -14.467 2.863 2.863
15 HE3 TRP 2 HE3 TRP 2 -11.504 7.184 7.184
16 HZ2 TRP 2 HZ2 TRP 2 -12.937 3.628 3.628
17 HZ3 TRP 2 HZ3 TRP 2 -10.602 7.131 7.131
18 HH2 TRP 2 HH2 TRP 2 -11.316 5.357 5.357
19 H LEU 3 HN LEU 3 -12.049 3.194 3.194
20 HA LEU 3 HA LEU 3 -9.771 4.014 4.014
21 1HB LEU 3 HB1 LEU 3 -11.091 1.408 1.408
22 2HB LEU 3 HB2 LEU 3 -9.435 1.346 1.346
23 HG LEU 3 HG LEU 3 -10.971 3.297 3.297
24 1HD1 LEU 3 HD12 LEU 3 -12.824 1.708 1.708
25 2HD1 LEU 3 HD13 LEU 3 -12.022 0.468 0.468
26 3HD1 LEU 3 HD11 LEU 3 -12.656 1.917 1.917
27 1HD2 LEU 3 HD23 LEU 3 -9.177 0.995 0.995
28 2HD2 LEU 3 HD21 LEU 3 -9.242 2.539 2.539
29 3HD2 LEU 3 HD22 LEU 3 -10.351 1.242 1.242
30 H LYS 4 HN LYS 4 -9.950 2.032 2.032
31 HA LYS 4 HA LYS 4 -7.230 1.496 1.496
32 1HB LYS 4 HB1 LYS 4 -9.550 1.821 1.821
33 2HB LYS 4 HB2 LYS 4 -7.995 2.133 2.133
34 1HG LYS 4 HG1 LYS 4 -7.184 -0.036 -0.036
35 2HG LYS 4 HG2 LYS 4 -8.453 -0.314 -0.314
36 1HD LYS 4 HD1 LYS 4 -10.140 -0.291 -0.291
37 2HD LYS 4 HD2 LYS 4 -8.849 -0.059 -0.059
38 1HE LYS 4 HE1 LYS 4 -7.812 -2.203 -2.203
39 2HE LYS 4 HE2 LYS 4 -9.391 -2.466 -2.466
40 1HZ LYS 4 HZ2 LYS 4 -9.636 -1.762 -1.762
41 2HZ LYS 4 HZ3 LYS 4 -8.646 -3.130 -3.130
42 3HZ LYS 4 HZ1 LYS 4 -10.221 -3.133 -3.133
43 H ALA 5 HN ALA 5 -8.930 4.538 4.538
44 HA ALA 5 HA ALA 5 -6.651 5.883 5.883
45 1HB ALA 5 HB1 ALA 5 -9.322 6.417 6.417
46 2HB ALA 5 HB2 ALA 5 -8.753 7.509 7.509
47 3HB ALA 5 HB3 ALA 5 -8.092 7.626 7.626
48 H ARG 6 HN ARG 6 -8.072 5.620 5.620
49 HA ARG 6 HA ARG 6 -6.071 7.464 7.464
50 1HB ARG 6 HB1 ARG 6 -7.273 7.322 7.322
51 2HB ARG 6 HB2 ARG 6 -8.496 7.357 7.357
52 1HG ARG 6 HG1 ARG 6 -9.322 5.473 5.473
53 2HG ARG 6 HG2 ARG 6 -7.918 4.647 4.647
54 1HD ARG 6 HD1 ARG 6 -6.852 5.772 5.772
55 2HD ARG 6 HD2 ARG 6 -8.495 5.410 5.410
56 HE ARG 6 HE ARG 6 -7.331 3.155 3.155
57 1HH1 ARG 6 HH21 ARG 6 -6.948 5.005 5.005
58 2HH1 ARG 6 HH22 ARG 6 -6.692 3.628 3.628
59 1HH2 ARG 6 HH11 ARG 6 -7.184 1.322 1.322
60 2HH2 ARG 6 HH12 ARG 6 -6.823 1.543 1.543
61 H VAL 7 HN VAL 7 -5.882 4.374 4.374
62 HA VAL 7 HA VAL 7 -4.471 3.317 3.317
63 HB VAL 7 HB VAL 7 -4.988 2.083 2.083
64 1HG1 VAL 7 HG12 VAL 7 -3.304 1.312 1.312
65 2HG1 VAL 7 HG13 VAL 7 -4.543 0.098 0.098
66 3HG1 VAL 7 HG11 VAL 7 -3.430 0.583 0.583
67 1HG2 VAL 7 HG22 VAL 7 -6.759 2.583 2.583
68 2HG2 VAL 7 HG23 VAL 7 -6.999 1.423 1.423
69 3HG2 VAL 7 HG21 VAL 7 -6.291 0.897 0.897
70 H GLU 8 HN GLU 8 -3.766 4.110 4.110
71 HA GLU 8 HA GLU 8 -1.032 3.453 3.453
72 1HB GLU 8 HB1 GLU 8 -0.856 5.319 5.319
73 2HB GLU 8 HB2 GLU 8 -2.082 4.093 4.093
74 1HG GLU 8 HG1 GLU 8 -3.791 5.570 5.570
75 2HG GLU 8 HG2 GLU 8 -3.027 6.341 6.341
76 H GLN 9 HN GLN 9 -2.646 6.125 6.125
77 HA GLN 9 HA GLN 9 -0.326 7.794 7.794
78 1HB GLN 9 HB1 GLN 9 -2.911 7.623 7.623
79 2HB GLN 9 HB2 GLN 9 -1.690 8.874 8.874
80 1HG GLN 9 HG1 GLN 9 -2.666 8.384 8.384
81 2HG GLN 9 HG2 GLN 9 -3.736 9.240 9.240
82 1HE2 GLN 9 HE22 GLN 9 -1.418 12.023 12.023
83 2HE2 GLN 9 HE21 GLN 9 -2.482 11.080 11.080
84 H GLU 10 HN GLU 10 -1.876 5.340 5.340
85 HA GLU 10 HA GLU 10 -0.118 5.632 5.632
86 1HB GLU 10 HB1 GLU 10 -1.847 3.382 3.382
87 2HB GLU 10 HB2 GLU 10 -0.797 3.152 3.152
88 1HG GLU 10 HG1 GLU 10 -1.861 5.264 5.264
89 2HG GLU 10 HG2 GLU 10 -3.055 5.143 5.143
90 H LEU 11 HN LEU 11 -0.061 3.151 3.151
91 HA LEU 11 HA LEU 11 2.428 2.014 2.014
92 1HB LEU 11 HB1 LEU 11 1.361 2.276 2.276
93 2HB LEU 11 HB2 LEU 11 2.467 1.045 1.045
94 HG LEU 11 HG LEU 11 0.063 1.155 1.155
95 1HD1 LEU 11 HD11 LEU 11 -0.437 1.750 1.750
96 2HD1 LEU 11 HD12 LEU 11 -0.739 0.016 0.016
97 3HD1 LEU 11 HD13 LEU 11 -1.610 1.136 1.136
98 1HD2 LEU 11 HD23 LEU 11 1.891 -0.741 -0.741
99 2HD2 LEU 11 HD21 LEU 11 0.835 -0.957 -0.957
100 3HD2 LEU 11 HD22 LEU 11 0.221 -1.262 -1.262
101 H GLN 12 HN GLN 12 1.679 4.866 4.866
102 HA GLN 12 HA GLN 12 4.344 5.244 5.244
103 1HB GLN 12 HB1 GLN 12 1.849 6.846 6.846
104 2HB GLN 12 HB2 GLN 12 3.349 7.763 7.763
105 1HG GLN 12 HG1 GLN 12 3.780 5.836 5.836
106 2HG GLN 12 HG2 GLN 12 2.024 5.969 5.969
107 1HE2 GLN 12 HE22 GLN 12 4.368 9.010 9.010
108 2HE2 GLN 12 HE21 GLN 12 5.057 7.669 7.669
109 H ALA 13 HN ALA 13 2.737 6.154 6.154
110 HA ALA 13 HA ALA 13 4.636 8.083 8.083
111 1HB ALA 13 HB1 ALA 13 2.355 7.558 7.558
112 2HB ALA 13 HB2 ALA 13 3.107 6.152 6.152
113 3HB ALA 13 HB3 ALA 13 3.662 7.775 7.775
114 H LEU 14 HN LEU 14 4.620 4.557 4.557
115 HA LEU 14 HA LEU 14 6.856 4.298 4.298
116 1HB LEU 14 HB1 LEU 14 5.426 2.475 2.475
117 2HB LEU 14 HB2 LEU 14 6.982 1.972 1.972
118 HG LEU 14 HG LEU 14 5.307 3.080 3.080
119 1HD1 LEU 14 HD12 LEU 14 3.965 1.438 1.438
120 2HD1 LEU 14 HD13 LEU 14 3.954 0.661 0.661
121 3HD1 LEU 14 HD11 LEU 14 3.284 2.281 2.281
122 1HD2 LEU 14 HD21 LEU 14 6.582 0.395 0.395
123 2HD2 LEU 14 HD22 LEU 14 7.165 1.650 1.650
124 3HD2 LEU 14 HD23 LEU 14 5.713 0.735 0.735
125 H GLU 15 HN GLU 15 6.561 5.068 5.068
126 HA GLU 15 HA GLU 15 9.447 4.487 4.487
127 1HB GLU 15 HB1 GLU 15 7.603 3.759 3.759
128 2HB GLU 15 HB2 GLU 15 7.475 5.468 5.468
129 1HG GLU 15 HG1 GLU 15 10.223 4.954 4.954
130 2HG GLU 15 HG2 GLU 15 9.508 3.522 3.522
131 H ALA 16 HN ALA 16 7.311 7.039 7.039
132 HA ALA 16 HA ALA 16 8.767 9.176 9.176
133 1HB ALA 16 HB1 ALA 16 6.666 9.065 9.065
134 2HB ALA 16 HB2 ALA 16 7.457 10.585 10.585
135 3HB ALA 16 HB3 ALA 16 6.530 9.711 9.711
136 H ARG 17 HN ARG 17 9.413 7.246 7.246
137 HA ARG 17 HA ARG 17 11.542 9.156 9.156
138 1HB ARG 17 HB1 ARG 17 9.264 8.242 8.242
139 2HB ARG 17 HB2 ARG 17 10.818 7.923 7.923
140 1HG ARG 17 HG1 ARG 17 10.410 10.603 10.603
141 2HG ARG 17 HG2 ARG 17 9.586 10.279 10.279
142 1HD ARG 17 HD1 ARG 17 11.594 9.991 9.991
143 2HD ARG 17 HD2 ARG 17 12.503 9.610 9.610
144 HE ARG 17 HE ARG 17 12.679 11.956 11.956
145 1HH1 ARG 17 HH21 ARG 17 10.058 11.539 11.539
146 2HH1 ARG 17 HH22 ARG 17 10.317 13.011 13.011
147 1HH2 ARG 17 HH11 ARG 17 13.322 13.729 13.729
148 2HH2 ARG 17 HH12 ARG 17 12.166 14.251 14.251
149 H GLY 18 HN GLY 18 11.913 6.950 6.950
150 1HA GLY 18 HA1 GLY 18 13.832 5.414 5.414
151 2HA GLY 18 HA2 GLY 18 12.461 4.450 4.450
152 H THR 19 HN THR 19 15.102 3.949 3.949
153 HA THR 19 HA THR 19 14.855 4.715 4.715
154 HB THR 19 HB THR 19 16.728 5.934 5.934
155 HG1 THR 19 HG1 THR 19 16.729 4.845 4.845
156 1HG2 THR 19 HG21 THR 19 17.083 3.759 3.759
157 2HG2 THR 19 HG22 THR 19 18.235 3.367 3.367
158 3HG2 THR 19 HG23 THR 19 18.415 4.859 4.859
159 H ASP 20 HN ASP 20 13.786 2.358 2.358
160 HA ASP 20 HA ASP 20 15.238 0.348 0.348
161 1HB ASP 20 HB1 ASP 20 15.070 -1.212 -1.212
162 2HB ASP 20 HB2 ASP 20 16.445 -0.120 -0.120
163 H SER 21 HN SER 21 13.068 0.754 0.754
164 HA SER 21 HA SER 21 11.271 -1.383 -1.383
165 1HB SER 21 HB1 SER 21 10.901 0.399 0.399
166 2HB SER 21 HB2 SER 21 9.894 1.163 1.163
167 HG SER 21 HG SER 21 8.495 -0.223 -0.223
168 H ASN 22 HN ASN 22 12.560 0.004 0.004
169 HA ASN 22 HA ASN 22 10.224 1.151 1.151
170 1HB ASN 22 HB1 ASN 22 13.206 1.325 1.325
171 2HB ASN 22 HB2 ASN 22 12.104 1.701 1.701
172 1HD2 ASN 22 HD22 ASN 22 11.350 4.889 4.889
173 2HD2 ASN 22 HD21 ASN 22 11.314 3.819 3.819
174 H ALA 23 HN ALA 23 10.847 -1.771 -1.771
175 HA ALA 23 HA ALA 23 10.750 -2.662 -2.662
176 1HB ALA 23 HB3 ALA 23 12.460 -3.555 -3.555
177 2HB ALA 23 HB1 ALA 23 11.723 -4.851 -4.851
178 3HB ALA 23 HB2 ALA 23 12.743 -3.652 -3.652
179 H GLU 24 HN GLU 24 9.879 -3.440 -3.440
180 HA GLU 24 HA GLU 24 7.995 -5.495 -5.495
181 1HB GLU 24 HB1 GLU 24 8.331 -3.900 -3.900
182 2HB GLU 24 HB2 GLU 24 7.243 -5.278 -5.278
183 1HG GLU 24 HG1 GLU 24 9.576 -6.317 -6.317
184 2HG GLU 24 HG2 GLU 24 10.188 -5.214 -5.214
185 H LEU 25 HN LEU 25 7.884 -2.214 -2.214
186 HA LEU 25 HA LEU 25 5.363 -1.341 -1.341
187 1HB LEU 25 HB1 LEU 25 6.956 -0.771 -0.771
188 2HB LEU 25 HB2 LEU 25 5.393 -0.003 -0.003
189 HG LEU 25 HG LEU 25 7.598 0.045 0.045
190 1HD1 LEU 25 HD12 LEU 25 8.205 1.063 1.063
191 2HD1 LEU 25 HD13 LEU 25 7.022 2.307 2.307
192 3HD1 LEU 25 HD11 LEU 25 8.434 2.067 2.067
193 1HD2 LEU 25 HD23 LEU 25 5.040 0.607 0.607
194 2HD2 LEU 25 HD21 LEU 25 6.280 1.643 1.643
195 3HD2 LEU 25 HD22 LEU 25 5.474 2.125 2.125
196 H ARG 26 HN ARG 26 6.119 -3.737 -3.737
197 HA ARG 26 HA ARG 26 3.396 -3.650 -3.650
198 1HB ARG 26 HB1 ARG 26 5.809 -5.384 -5.384
199 2HB ARG 26 HB2 ARG 26 4.249 -5.598 -5.598
200 1HG ARG 26 HG1 ARG 26 5.736 -2.961 -2.961
201 2HG ARG 26 HG2 ARG 26 5.921 -4.153 -4.153
202 1HD ARG 26 HD1 ARG 26 4.057 -3.350 -3.350
203 2HD ARG 26 HD2 ARG 26 3.130 -3.825 -3.825
204 HE ARG 26 HE ARG 26 2.926 -1.514 -1.514
205 1HH1 ARG 26 HH11 ARG 26 5.619 -2.035 -2.035
206 2HH1 ARG 26 HH12 ARG 26 6.401 -0.542 -0.542
207 1HH2 ARG 26 HH21 ARG 26 4.100 0.315 0.315
208 2HH2 ARG 26 HH22 ARG 26 5.540 0.790 0.790
209 H ALA 27 HN ALA 27 5.352 -5.637 -5.637
210 HA ALA 27 HA ALA 27 3.426 -7.781 -7.781
211 1HB ALA 27 HB3 ALA 27 5.788 -6.987 -6.987
212 2HB ALA 27 HB1 ALA 27 4.792 -8.399 -8.399
213 3HB ALA 27 HB2 ALA 27 5.696 -8.308 -8.308
214 H MET 28 HN MET 28 3.672 -4.654 -4.654
215 HA MET 28 HA MET 28 2.268 -5.208 -5.208
216 1HB MET 28 HB1 MET 28 2.077 -2.846 -2.846
217 2HB MET 28 HB2 MET 28 3.608 -3.103 -3.103
218 1HG MET 28 HG1 MET 28 2.432 -2.712 -2.712
219 2HG MET 28 HG2 MET 28 0.959 -2.348 -2.348
220 1HE MET 28 HE3 MET 28 1.718 -0.429 -0.429
221 2HE MET 28 HE1 MET 28 0.548 0.106 0.106
222 3HE MET 28 HE2 MET 28 1.894 1.149 1.149
223 H GLU 29 HN GLU 29 1.224 -4.655 -4.655
224 HA GLU 29 HA GLU 29 -1.481 -3.932 -3.932
225 1HB GLU 29 HB1 GLU 29 -0.010 -5.273 -5.273
226 2HB GLU 29 HB2 GLU 29 -1.774 -5.300 -5.300
227 1HG GLU 29 HG1 GLU 29 -1.810 -2.840 -2.840
228 2HG GLU 29 HG2 GLU 29 -0.046 -2.816 -2.816
229 H ALA 30 HN ALA 30 0.067 -7.129 -7.129
230 HA ALA 30 HA ALA 30 -2.227 -8.753 -8.753
231 1HB ALA 30 HB1 ALA 30 0.282 -9.402 -9.402
232 2HB ALA 30 HB2 ALA 30 0.194 -9.353 -9.353
233 3HB ALA 30 HB3 ALA 30 -0.823 -10.476 -10.476
234 H LYS 31 HN LYS 31 -0.407 -7.531 -7.531
235 HA LYS 31 HA LYS 31 -2.218 -8.491 -8.491
236 1HB LYS 31 HB1 LYS 31 -0.084 -6.425 -6.425
237 2HB LYS 31 HB2 LYS 31 -1.252 -6.281 -6.281
238 1HG LYS 31 HG1 LYS 31 0.094 -7.787 -7.787
239 2HG LYS 31 HG2 LYS 31 -0.729 -8.970 -8.970
240 1HD LYS 31 HD1 LYS 31 1.433 -9.471 -9.471
241 2HD LYS 31 HD2 LYS 31 1.160 -8.152 -8.152
242 1HE LYS 31 HE1 LYS 31 2.014 -7.227 -7.227
243 2HE LYS 31 HE2 LYS 31 3.205 -8.263 -8.263
244 1HZ LYS 31 HZ3 LYS 31 2.664 -6.785 -6.785
245 2HZ LYS 31 HZ1 LYS 31 2.123 -5.677 -5.677
246 3HZ LYS 31 HZ2 LYS 31 3.733 -6.219 -6.219
247 H LEU 32 HN LEU 32 -2.230 -5.496 -5.496
248 HA LEU 32 HA LEU 32 -4.217 -4.069 -4.069
249 1HB LEU 32 HB1 LEU 32 -2.985 -3.081 -3.081
250 2HB LEU 32 HB2 LEU 32 -3.734 -4.216 -4.216
251 HG LEU 32 HG LEU 32 -5.919 -3.116 -3.116
252 1HD1 LEU 32 HD12 LEU 32 -3.985 -1.465 -1.465
253 2HD1 LEU 32 HD13 LEU 32 -4.301 -0.712 -0.712
254 3HD1 LEU 32 HD11 LEU 32 -5.604 -0.882 -0.882
255 1HD2 LEU 32 HD23 LEU 32 -5.375 -3.521 -3.521
256 2HD2 LEU 32 HD21 LEU 32 -6.382 -2.122 -2.122
257 3HD2 LEU 32 HD22 LEU 32 -4.669 -1.905 -1.905
258 H LYS 33 HN LYS 33 -4.656 -6.427 -6.427
259 HA LYS 33 HA LYS 33 -7.505 -6.321 -6.321
260 1HB LYS 33 HB1 LYS 33 -5.667 -7.530 -7.530
261 2HB LYS 33 HB2 LYS 33 -6.235 -8.918 -8.918
262 1HG LYS 33 HG1 LYS 33 -8.538 -8.457 -8.457
263 2HG LYS 33 HG2 LYS 33 -8.056 -6.961 -6.961
264 1HD LYS 33 HD1 LYS 33 -6.881 -9.618 -9.618
265 2HD LYS 33 HD2 LYS 33 -8.415 -9.055 -9.055
266 1HE LYS 33 HE1 LYS 33 -7.131 -7.982 -7.982
267 2HE LYS 33 HE2 LYS 33 -6.818 -6.823 -6.823
268 1HZ LYS 33 HZ3 LYS 33 -5.114 -8.983 -8.983
269 2HZ LYS 33 HZ1 LYS 33 -5.019 -8.588 -8.588
270 3HZ LYS 33 HZ2 LYS 33 -4.700 -7.404 -7.404
271 H ALA 34 HN ALA 34 -5.235 -7.948 -7.948
272 HA ALA 34 HA ALA 34 -7.177 -9.843 -9.843
273 1HB ALA 34 HB2 ALA 34 -4.468 -8.928 -8.928
274 2HB ALA 34 HB3 ALA 34 -5.423 -10.204 -10.204
275 3HB ALA 34 HB1 ALA 34 -4.822 -10.410 -10.410
276 H GLU 35 HN GLU 35 -6.160 -6.574 -6.574
277 HA GLU 35 HA GLU 35 -7.378 -6.537 -6.537
278 1HB GLU 35 HB1 GLU 35 -5.495 -5.013 -5.013
279 2HB GLU 35 HB2 GLU 35 -6.755 -4.121 -4.121
280 1HG GLU 35 HG1 GLU 35 -7.810 -4.409 -4.409
281 2HG GLU 35 HG2 GLU 35 -6.094 -4.150 -4.150
282 H ILE 36 HN ILE 36 -8.370 -5.558 -5.558
283 HA ILE 36 HA ILE 36 -10.689 -4.110 -4.110
284 HB ILE 36 HB ILE 36 -10.300 -6.187 -6.187
285 1HG1 ILE 36 HG11 ILE 36 -9.988 -3.169 -3.169
286 2HG1 ILE 36 HG12 ILE 36 -8.640 -4.295 -4.295
287 1HG2 ILE 36 HG21 ILE 36 -12.444 -4.169 -4.169
288 2HG2 ILE 36 HG22 ILE 36 -12.021 -4.508 -4.508
289 3HG2 ILE 36 HG23 ILE 36 -12.596 -5.807 -5.807
290 1HD1 ILE 36 HD11 ILE 36 -9.698 -5.409 -5.409
291 2HD1 ILE 36 HD12 ILE 36 -10.457 -3.831 -3.831
292 3HD1 ILE 36 HD13 ILE 36 -8.699 -3.965 -3.965
293 H GLN 37 HN GLN 37 -10.195 -7.601 -7.601
294 HA GLN 37 HA GLN 37 -12.840 -8.501 -8.501
295 1HB GLN 37 HB1 GLN 37 -10.401 -9.680 -9.680
296 2HB GLN 37 HB2 GLN 37 -10.937 -9.668 -9.668
297 1HG GLN 37 HG1 GLN 37 -12.451 -11.298 -11.298
298 2HG GLN 37 HG2 GLN 37 -13.082 -10.458 -10.458
299 1HE2 GLN 37 HE22 GLN 37 -10.468 -12.027 -12.027
300 2HE2 GLN 37 HE21 GLN 37 -10.986 -10.447 -10.447
301 H LYS 38 HN LYS 38 -10.718 -7.684 -7.684
302 HA LYS 38 HA LYS 38 -12.668 -7.762 -7.762
303 1HB LYS 38 HB1 LYS 38 -10.179 -7.359 -7.359
304 2HB LYS 38 HB2 LYS 38 -10.476 -5.676 -5.676
305 1HG LYS 38 HG1 LYS 38 -11.346 -5.207 -5.207
306 2HG LYS 38 HG2 LYS 38 -12.341 -6.663 -6.663
307 1HD LYS 38 HD1 LYS 38 -10.232 -7.971 -7.971
308 2HD LYS 38 HD2 LYS 38 -9.423 -6.423 -6.423
309 1HE LYS 38 HE1 LYS 38 -11.798 -6.209 -6.209
310 2HE LYS 38 HE2 LYS 38 -11.246 -7.856 -7.856
311 1HZ LYS 38 HZ3 LYS 38 -8.984 -6.317 -6.317
312 2HZ LYS 38 HZ1 LYS 38 -10.159 -5.389 -5.389
313 3HZ LYS 38 HZ2 LYS 38 -9.833 -6.973 -6.973
314 1HN NH2 39 1HN NH2 39 -12.466 -4.531 -4.531
315 2HN NH2 39 2HN NH2 39 -12.221 -3.986 -3.986
Start of MODEL 22
1 1H2 SIN 0 1H2 SIN 0 13.202 5.301 5.301
2 2H2 SIN 0 2H2 SIN 0 13.103 6.168 6.168
3 1H3 SIN 0 1H3 SIN 0 12.928 8.144 8.144
4 2H3 SIN 0 2H3 SIN 0 14.380 7.817 7.817
5 H ASP 1 HN ASP 1 12.885 8.984 8.984
6 HA ASP 1 HA ASP 1 11.301 6.980 6.980
7 1HB ASP 1 HB1 ASP 1 11.373 8.525 8.525
8 2HB ASP 1 HB2 ASP 1 12.986 8.433 8.433
9 H TRP 2 HN TRP 2 10.801 10.080 10.080
10 HA TRP 2 HA TRP 2 8.214 10.687 10.687
11 1HB TRP 2 HB1 TRP 2 7.951 11.949 11.949
12 2HB TRP 2 HB2 TRP 2 9.655 12.051 12.051
13 HD1 TRP 2 HD1 TRP 2 11.309 10.303 10.303
14 HE1 TRP 2 HE1 TRP 2 11.234 9.369 9.369
15 HE3 TRP 2 HE3 TRP 2 6.446 11.275 11.275
16 HZ2 TRP 2 HZ2 TRP 2 9.327 9.070 9.070
17 HZ3 TRP 2 HZ3 TRP 2 5.514 10.660 10.660
18 HH2 TRP 2 HH2 TRP 2 6.950 9.558 9.558
19 H LEU 3 HN LEU 3 9.282 8.294 8.294
20 HA LEU 3 HA LEU 3 6.834 7.700 7.700
21 1HB LEU 3 HB1 LEU 3 9.290 6.087 6.087
22 2HB LEU 3 HB2 LEU 3 7.873 5.287 5.287
23 HG LEU 3 HG LEU 3 8.172 7.642 7.642
24 1HD1 LEU 3 HD12 LEU 3 10.496 7.687 7.687
25 2HD1 LEU 3 HD13 LEU 3 10.838 6.225 6.225
26 3HD1 LEU 3 HD11 LEU 3 10.452 7.728 7.728
27 1HD2 LEU 3 HD21 LEU 3 8.592 4.711 4.711
28 2HD2 LEU 3 HD22 LEU 3 7.469 5.801 5.801
29 3HD2 LEU 3 HD23 LEU 3 9.174 5.794 5.794
30 H LYS 4 HN LYS 4 8.110 6.532 6.532
31 HA LYS 4 HA LYS 4 6.190 4.560 4.560
32 1HB LYS 4 HB1 LYS 4 6.767 4.813 4.813
33 2HB LYS 4 HB2 LYS 4 8.218 5.297 5.297
34 1HG LYS 4 HG1 LYS 4 7.188 7.698 7.698
35 2HG LYS 4 HG2 LYS 4 6.205 7.025 7.025
36 1HD LYS 4 HD1 LYS 4 8.391 6.190 6.190
37 2HD LYS 4 HD2 LYS 4 9.222 7.216 7.216
38 1HE LYS 4 HE1 LYS 4 7.101 8.707 8.707
39 2HE LYS 4 HE2 LYS 4 8.140 7.986 7.986
40 1HZ LYS 4 HZ3 LYS 4 10.062 8.922 8.922
41 2HZ LYS 4 HZ1 LYS 4 9.060 9.620 9.620
42 3HZ LYS 4 HZ2 LYS 4 8.966 10.145 10.145
43 H ALA 5 HN ALA 5 5.893 8.072 8.072
44 HA ALA 5 HA ALA 5 3.250 7.949 7.949
45 1HB ALA 5 HB1 ALA 5 4.877 10.192 10.192
46 2HB ALA 5 HB2 ALA 5 3.251 10.434 10.434
47 3HB ALA 5 HB3 ALA 5 4.548 9.898 9.898
48 H ARG 6 HN ARG 6 4.543 8.277 8.277
49 HA ARG 6 HA ARG 6 1.857 8.737 8.737
50 1HB ARG 6 HB1 ARG 6 2.925 9.090 9.090
51 2HB ARG 6 HB2 ARG 6 3.955 9.860 9.860
52 1HG ARG 6 HG1 ARG 6 5.625 8.638 8.638
53 2HG ARG 6 HG2 ARG 6 4.937 7.288 7.288
54 1HD ARG 6 HD1 ARG 6 5.156 6.601 6.601
55 2HD ARG 6 HD2 ARG 6 3.440 6.841 6.841
56 HE ARG 6 HE ARG 6 4.341 9.297 9.297
57 1HH1 ARG 6 HH11 ARG 6 5.686 6.562 6.562
58 2HH1 ARG 6 HH12 ARG 6 4.971 6.690 6.690
59 1HH2 ARG 6 HH21 ARG 6 2.800 9.238 9.238
60 2HH2 ARG 6 HH22 ARG 6 3.338 8.203 8.203
61 H VAL 7 HN VAL 7 3.451 6.050 6.050
62 HA VAL 7 HA VAL 7 2.640 4.301 4.301
63 HB VAL 7 HB VAL 7 3.961 3.684 3.684
64 1HG1 VAL 7 HG11 VAL 7 3.196 1.951 1.951
65 2HG1 VAL 7 HG12 VAL 7 4.442 1.473 1.473
66 3HG1 VAL 7 HG13 VAL 7 2.782 1.718 1.718
67 1HG2 VAL 7 HG21 VAL 7 5.033 4.881 4.881
68 2HG2 VAL 7 HG22 VAL 7 5.955 3.973 3.973
69 3HG2 VAL 7 HG23 VAL 7 5.392 3.176 3.176
70 H GLU 8 HN GLU 8 2.137 4.135 4.135
71 HA GLU 8 HA GLU 8 -0.041 2.390 2.390
72 1HB GLU 8 HB1 GLU 8 -0.751 3.636 3.636
73 2HB GLU 8 HB2 GLU 8 0.895 3.004 3.004
74 1HG GLU 8 HG1 GLU 8 1.817 5.160 5.160
75 2HG GLU 8 HG2 GLU 8 0.235 5.829 5.829
76 H GLN 9 HN GLN 9 -0.043 5.883 5.883
77 HA GLN 9 HA GLN 9 -2.835 6.325 6.325
78 1HB GLN 9 HB1 GLN 9 -1.139 8.130 8.130
79 2HB GLN 9 HB2 GLN 9 -0.808 7.607 7.607
80 1HG GLN 9 HG1 GLN 9 -2.665 8.632 8.632
81 2HG GLN 9 HG2 GLN 9 -3.665 8.014 8.014
82 1HE2 GLN 9 HE22 GLN 9 -1.524 11.386 11.386
83 2HE2 GLN 9 HE21 GLN 9 -0.736 10.091 10.091
84 H GLU 10 HN GLU 10 -0.774 5.409 5.409
85 HA GLU 10 HA GLU 10 -2.862 5.225 5.225
86 1HB GLU 10 HB1 GLU 10 -0.070 4.407 4.407
87 2HB GLU 10 HB2 GLU 10 -1.031 3.244 3.244
88 1HG GLU 10 HG1 GLU 10 -1.235 6.209 6.209
89 2HG GLU 10 HG2 GLU 10 0.006 5.224 5.224
90 H LEU 11 HN LEU 11 -1.434 2.661 2.661
91 HA LEU 11 HA LEU 11 -3.478 0.763 0.763
92 1HB LEU 11 HB1 LEU 11 -1.495 0.415 0.415
93 2HB LEU 11 HB2 LEU 11 -2.308 -0.847 -0.847
94 HG LEU 11 HG LEU 11 -0.877 0.981 0.981
95 1HD1 LEU 11 HD12 LEU 11 0.453 0.934 0.934
96 2HD1 LEU 11 HD13 LEU 11 0.970 -0.647 -0.647
97 3HD1 LEU 11 HD11 LEU 11 1.310 0.800 0.800
98 1HD2 LEU 11 HD21 LEU 11 -1.681 -1.661 -1.661
99 2HD2 LEU 11 HD22 LEU 11 -0.577 -0.961 -0.961
100 3HD2 LEU 11 HD23 LEU 11 0.062 -1.793 -1.793
101 H GLN 12 HN GLN 12 -3.730 3.326 3.326
102 HA GLN 12 HA GLN 12 -4.951 2.111 2.111
103 1HB GLN 12 HB1 GLN 12 -4.228 4.776 4.776
104 2HB GLN 12 HB2 GLN 12 -5.859 4.764 4.764
105 1HG GLN 12 HG1 GLN 12 -4.726 3.299 3.299
106 2HG GLN 12 HG2 GLN 12 -3.250 4.081 4.081
107 1HE2 GLN 12 HE22 GLN 12 -5.682 6.126 6.126
108 2HE2 GLN 12 HE21 GLN 12 -5.748 4.442 4.442
109 H ALA 13 HN ALA 13 -6.229 3.923 3.923
110 HA ALA 13 HA ALA 13 -8.974 3.650 3.650
111 1HB ALA 13 HB2 ALA 13 -7.713 4.942 4.942
112 2HB ALA 13 HB3 ALA 13 -8.038 3.470 3.470
113 3HB ALA 13 HB1 ALA 13 -9.374 4.401 4.401
114 H LEU 14 HN LEU 14 -6.683 1.322 1.322
115 HA LEU 14 HA LEU 14 -8.408 -0.530 -0.530
116 1HB LEU 14 HB1 LEU 14 -5.718 -0.526 -0.526
117 2HB LEU 14 HB2 LEU 14 -6.523 -2.052 -2.052
118 HG LEU 14 HG LEU 14 -7.115 -2.331 -2.331
119 1HD1 LEU 14 HD11 LEU 14 -7.313 0.141 0.141
120 2HD1 LEU 14 HD12 LEU 14 -5.551 0.222 0.222
121 3HD1 LEU 14 HD13 LEU 14 -6.413 -0.738 -0.738
122 1HD2 LEU 14 HD21 LEU 14 -4.696 -2.780 -2.780
123 2HD2 LEU 14 HD22 LEU 14 -5.017 -3.041 -3.041
124 3HD2 LEU 14 HD23 LEU 14 -4.229 -1.557 -1.557
125 H GLU 15 HN GLU 15 -7.469 -0.333 -0.333
126 HA GLU 15 HA GLU 15 -9.439 -2.413 -2.413
127 1HB GLU 15 HB1 GLU 15 -7.694 -0.693 -0.693
128 2HB GLU 15 HB2 GLU 15 -8.632 -2.096 -2.096
129 1HG GLU 15 HG1 GLU 15 -6.559 -3.084 -3.084
130 2HG GLU 15 HG2 GLU 15 -7.281 -3.291 -3.291
131 H ALA 16 HN ALA 16 -9.508 0.912 0.912
132 HA ALA 16 HA ALA 16 -11.348 1.716 1.716
133 1HB ALA 16 HB2 ALA 16 -9.993 3.330 3.330
134 2HB ALA 16 HB3 ALA 16 -10.918 2.912 2.912
135 3HB ALA 16 HB1 ALA 16 -11.715 3.703 3.703
136 H ARG 17 HN ARG 17 -11.827 0.807 0.807
137 HA ARG 17 HA ARG 17 -14.740 0.548 0.548
138 1HB ARG 17 HB1 ARG 17 -13.366 0.453 0.453
139 2HB ARG 17 HB2 ARG 17 -15.088 0.668 0.668
140 1HG ARG 17 HG1 ARG 17 -14.840 2.889 2.889
141 2HG ARG 17 HG2 ARG 17 -13.387 2.635 2.635
142 1HD ARG 17 HD1 ARG 17 -12.200 2.166 2.166
143 2HD ARG 17 HD2 ARG 17 -13.621 2.885 2.885
144 HE ARG 17 HE ARG 17 -12.548 4.591 4.591
145 1HH1 ARG 17 HH21 ARG 17 -10.392 3.641 3.641
146 2HH1 ARG 17 HH22 ARG 17 -10.385 5.023 5.023
147 1HH2 ARG 17 HH11 ARG 17 -13.318 6.345 6.345
148 2HH2 ARG 17 HH12 ARG 17 -12.040 6.552 6.552
149 H GLY 18 HN GLY 18 -13.354 -1.460 -1.460
150 1HA GLY 18 HA1 GLY 18 -14.429 -3.815 -3.815
151 2HA GLY 18 HA2 GLY 18 -12.699 -3.730 -3.730
152 H THR 19 HN THR 19 -15.048 -4.612 -4.612
153 HA THR 19 HA THR 19 -13.181 -4.488 -4.488
154 HB THR 19 HB THR 19 -15.081 -5.421 -5.421
155 HG1 THR 19 HG1 THR 19 -15.818 -6.505 -6.505
156 1HG2 THR 19 HG22 THR 19 -15.405 -3.011 -3.011
157 2HG2 THR 19 HG23 THR 19 -16.765 -3.519 -3.519
158 3HG2 THR 19 HG21 THR 19 -15.223 -3.108 -3.108
159 H ASP 20 HN ASP 20 -12.721 -6.252 -6.252
160 HA ASP 20 HA ASP 20 -12.807 -8.913 -8.913
161 1HB ASP 20 HB1 ASP 20 -12.408 -8.207 -8.207
162 2HB ASP 20 HB2 ASP 20 -12.408 -9.845 -9.845
163 H SER 21 HN SER 21 -10.895 -7.341 -7.341
164 HA SER 21 HA SER 21 -8.473 -8.751 -8.751
165 1HB SER 21 HB1 SER 21 -8.897 -6.923 -6.923
166 2HB SER 21 HB2 SER 21 -7.986 -5.956 -5.956
167 HG SER 21 HG SER 21 -6.438 -6.945 -6.945
168 H ASN 22 HN ASN 22 -10.106 -7.818 -7.818
169 HA ASN 22 HA ASN 22 -8.525 -5.692 -5.692
170 1HB ASN 22 HB1 ASN 22 -10.148 -5.841 -5.841
171 2HB ASN 22 HB2 ASN 22 -11.017 -5.857 -5.857
172 1HD2 ASN 22 HD22 ASN 22 -12.404 -8.645 -8.645
173 2HD2 ASN 22 HD21 ASN 22 -12.375 -6.951 -6.951
174 H ALA 23 HN ALA 23 -7.666 -8.600 -8.600
175 HA ALA 23 HA ALA 23 -6.583 -9.159 -9.159
176 1HB ALA 23 HB2 ALA 23 -7.766 -10.967 -10.967
177 2HB ALA 23 HB3 ALA 23 -6.431 -11.587 -11.587
178 3HB ALA 23 HB1 ALA 23 -7.907 -11.029 -11.029
179 H GLU 24 HN GLU 24 -5.991 -9.430 -9.430
180 HA GLU 24 HA GLU 24 -3.192 -10.093 -10.093
181 1HB GLU 24 HB1 GLU 24 -4.846 -9.320 -9.320
182 2HB GLU 24 HB2 GLU 24 -3.111 -9.625 -9.625
183 1HG GLU 24 HG1 GLU 24 -5.246 -11.561 -11.561
184 2HG GLU 24 HG2 GLU 24 -4.284 -11.685 -11.685
185 H LEU 25 HN LEU 25 -4.794 -7.296 -7.296
186 HA LEU 25 HA LEU 25 -3.416 -5.243 -5.243
187 1HB LEU 25 HB1 LEU 25 -4.638 -5.482 -5.482
188 2HB LEU 25 HB2 LEU 25 -3.695 -4.043 -4.043
189 HG LEU 25 HG LEU 25 -5.843 -5.041 -5.041
190 1HD1 LEU 25 HD12 LEU 25 -6.761 -4.713 -4.713
191 2HD1 LEU 25 HD13 LEU 25 -6.268 -3.025 -3.025
192 3HD1 LEU 25 HD11 LEU 25 -7.479 -3.673 -3.673
193 1HD2 LEU 25 HD22 LEU 25 -3.952 -2.942 -2.942
194 2HD2 LEU 25 HD23 LEU 25 -5.286 -3.181 -3.181
195 3HD2 LEU 25 HD21 LEU 25 -5.514 -2.181 -2.181
196 H ARG 26 HN ARG 26 -2.363 -7.249 -7.249
197 HA ARG 26 HA ARG 26 0.032 -5.720 -5.720
198 1HB ARG 26 HB1 ARG 26 -1.109 -8.329 -8.329
199 2HB ARG 26 HB2 ARG 26 0.649 -8.203 -8.203
200 1HG ARG 26 HG1 ARG 26 -0.205 -7.466 -7.466
201 2HG ARG 26 HG2 ARG 26 0.333 -6.027 -6.027
202 1HD ARG 26 HD1 ARG 26 -2.246 -6.194 -6.194
203 2HD ARG 26 HD2 ARG 26 -2.404 -6.866 -6.866
204 HE ARG 26 HE ARG 26 -0.907 -4.574 -4.574
205 1HH1 ARG 26 HH21 ARG 26 -4.097 -5.526 -5.526
206 2HH1 ARG 26 HH22 ARG 26 -4.729 -3.915 -3.915
207 1HH2 ARG 26 HH11 ARG 26 -1.621 -2.397 -2.397
208 2HH2 ARG 26 HH12 ARG 26 -3.327 -2.145 -2.145
209 H ALA 27 HN ALA 27 -0.658 -8.615 -8.615
210 HA ALA 27 HA ALA 27 2.014 -9.173 -9.173
211 1HB ALA 27 HB3 ALA 27 -0.425 -10.307 -10.307
212 2HB ALA 27 HB1 ALA 27 -0.040 -9.590 -9.590
213 3HB ALA 27 HB2 ALA 27 1.067 -10.750 -10.750
214 H MET 28 HN MET 28 -0.283 -6.771 -6.771
215 HA MET 28 HA MET 28 1.014 -6.086 -6.086
216 1HB MET 28 HB1 MET 28 -1.279 -5.320 -5.320
217 2HB MET 28 HB2 MET 28 -0.512 -4.221 -4.221
218 1HG MET 28 HG1 MET 28 -1.065 -3.089 -3.089
219 2HG MET 28 HG2 MET 28 0.672 -3.101 -3.101
220 1HE MET 28 HE1 MET 28 -1.284 -2.811 -2.811
221 2HE MET 28 HE2 MET 28 0.429 -2.408 -2.408
222 3HE MET 28 HE3 MET 28 -0.271 -3.526 -3.526
223 H GLU 29 HN GLU 29 1.644 -5.206 -5.206
224 HA GLU 29 HA GLU 29 3.400 -3.002 -3.002
225 1HB GLU 29 HB1 GLU 29 2.388 -3.686 -3.686
226 2HB GLU 29 HB2 GLU 29 3.642 -4.924 -4.924
227 1HG GLU 29 HG1 GLU 29 4.667 -3.145 -3.145
228 2HG GLU 29 HG2 GLU 29 5.255 -2.911 -2.911
229 H ALA 30 HN ALA 30 4.019 -6.492 -6.492
230 HA ALA 30 HA ALA 30 6.834 -6.422 -6.422
231 1HB ALA 30 HB3 ALA 30 4.901 -8.394 -8.394
232 2HB ALA 30 HB1 ALA 30 5.609 -8.665 -8.665
233 3HB ALA 30 HB2 ALA 30 6.634 -8.679 -8.679
234 H LYS 31 HN LYS 31 4.519 -7.025 -7.025
235 HA LYS 31 HA LYS 31 6.468 -6.894 -6.894
236 1HB LYS 31 HB1 LYS 31 3.480 -6.510 -6.510
237 2HB LYS 31 HB2 LYS 31 4.384 -6.263 -6.263
238 1HG LYS 31 HG1 LYS 31 4.199 -8.497 -8.497
239 2HG LYS 31 HG2 LYS 31 5.389 -8.665 -8.665
240 1HD LYS 31 HD1 LYS 31 3.731 -9.049 -9.049
241 2HD LYS 31 HD2 LYS 31 2.455 -8.361 -8.361
242 1HE LYS 31 HE1 LYS 31 3.316 -10.393 -10.393
243 2HE LYS 31 HE2 LYS 31 3.603 -11.091 -11.091
244 1HZ LYS 31 HZ3 LYS 31 1.062 -9.726 -9.726
245 2HZ LYS 31 HZ1 LYS 31 1.258 -11.196 -11.196
246 3HZ LYS 31 HZ2 LYS 31 1.414 -11.144 -11.144
247 H LEU 32 HN LEU 32 4.866 -4.418 -4.418
248 HA LEU 32 HA LEU 32 5.047 -2.217 -2.217
249 1HB LEU 32 HB1 LEU 32 4.259 -2.536 -2.536
250 2HB LEU 32 HB2 LEU 32 5.780 -1.671 -1.671
251 HG LEU 32 HG LEU 32 4.868 -0.112 -0.112
252 1HD1 LEU 32 HD12 LEU 32 2.939 -1.589 -1.589
253 2HD1 LEU 32 HD13 LEU 32 2.299 -1.311 -1.311
254 3HD1 LEU 32 HD11 LEU 32 2.421 0.028 0.028
255 1HD2 LEU 32 HD23 LEU 32 4.537 -0.176 -0.176
256 2HD2 LEU 32 HD21 LEU 32 4.858 1.206 1.206
257 3HD2 LEU 32 HD22 LEU 32 3.198 0.687 0.687
258 H LYS 33 HN LYS 33 7.480 -3.401 -3.401
259 HA LYS 33 HA LYS 33 9.497 -1.513 -1.513
260 1HB LYS 33 HB1 LYS 33 9.296 -4.033 -4.033
261 2HB LYS 33 HB2 LYS 33 10.707 -4.103 -4.103
262 1HG LYS 33 HG1 LYS 33 11.793 -2.382 -2.382
263 2HG LYS 33 HG2 LYS 33 10.285 -1.644 -1.644
264 1HD LYS 33 HD1 LYS 33 10.436 -2.744 -2.744
265 2HD LYS 33 HD2 LYS 33 10.465 -4.288 -4.288
266 1HE LYS 33 HE1 LYS 33 12.906 -2.528 -2.528
267 2HE LYS 33 HE2 LYS 33 12.493 -3.854 -3.854
268 1HZ LYS 33 HZ1 LYS 33 12.311 -5.084 -5.084
269 2HZ LYS 33 HZ2 LYS 33 13.497 -3.931 -3.931
270 3HZ LYS 33 HZ3 LYS 33 13.750 -5.014 -5.014
271 H ALA 34 HN ALA 34 8.475 -4.260 -4.260
272 HA ALA 34 HA ALA 34 10.766 -4.304 -4.304
273 1HB ALA 34 HB3 ALA 34 8.109 -5.549 -5.549
274 2HB ALA 34 HB1 ALA 34 8.656 -5.221 -5.221
275 3HB ALA 34 HB2 ALA 34 9.638 -6.217 -6.217
276 H GLU 35 HN GLU 35 7.673 -2.569 -2.569
277 HA GLU 35 HA GLU 35 8.071 -1.447 -1.447
278 1HB GLU 35 HB1 GLU 35 6.319 -0.589 -0.589
279 2HB GLU 35 HB2 GLU 35 6.268 0.155 0.155
280 1HG GLU 35 HG1 GLU 35 5.955 -2.294 -2.294
281 2HG GLU 35 HG2 GLU 35 5.495 -2.641 -2.641
282 H ILE 36 HN ILE 36 8.670 -0.242 -0.242
283 HA ILE 36 HA ILE 36 9.529 2.362 2.362
284 HB ILE 36 HB ILE 36 10.368 0.578 0.578
285 1HG1 ILE 36 HG11 ILE 36 8.537 2.985 2.985
286 2HG1 ILE 36 HG12 ILE 36 7.931 1.356 1.356
287 1HG2 ILE 36 HG23 ILE 36 12.049 2.356 2.356
288 2HG2 ILE 36 HG21 ILE 36 10.774 3.564 3.564
289 3HG2 ILE 36 HG22 ILE 36 11.251 2.596 2.596
290 1HD1 ILE 36 HD13 ILE 36 9.601 1.114 1.114
291 2HD1 ILE 36 HD11 ILE 36 8.686 2.598 2.598
292 3HD1 ILE 36 HD12 ILE 36 7.838 1.077 1.077
293 H GLN 37 HN GLN 37 11.365 -0.666 -0.666
294 HA GLN 37 HA GLN 37 13.958 0.331 0.331
295 1HB GLN 37 HB1 GLN 37 13.164 -2.104 -2.104
296 2HB GLN 37 HB2 GLN 37 13.011 -2.212 -2.212
297 1HG GLN 37 HG1 GLN 37 15.509 -1.006 -1.006
298 2HG GLN 37 HG2 GLN 37 15.405 -2.295 -2.295
299 1HE2 GLN 37 HE22 GLN 37 15.919 -3.227 -3.227
300 2HE2 GLN 37 HE21 GLN 37 15.883 -1.618 -1.618
301 H LYS 38 HN LYS 38 12.037 -1.196 -1.196
302 HA LYS 38 HA LYS 38 13.552 -0.152 -0.152
303 1HB LYS 38 HB1 LYS 38 10.568 -0.702 -0.702
304 2HB LYS 38 HB2 LYS 38 11.604 -0.616 -0.616
305 1HG LYS 38 HG1 LYS 38 12.986 -2.484 -2.484
306 2HG LYS 38 HG2 LYS 38 11.635 -2.679 -2.679
307 1HD LYS 38 HD1 LYS 38 10.350 -3.695 -3.695
308 2HD LYS 38 HD2 LYS 38 10.808 -2.534 -2.534
309 1HE LYS 38 HE1 LYS 38 11.647 -4.717 -4.717
310 2HE LYS 38 HE2 LYS 38 13.022 -3.716 -3.716
311 1HZ LYS 38 HZ2 LYS 38 12.315 -4.821 -4.821
312 2HZ LYS 38 HZ3 LYS 38 11.951 -6.081 -6.081
313 3HZ LYS 38 HZ1 LYS 38 13.519 -5.438 -5.438
314 1HN NH2 39 1HN NH2 39 10.685 2.001 2.001
315 2HN NH2 39 2HN NH2 39 12.222 2.580 2.580
Start of MODEL 23
1 1H2 SIN 0 1H2 SIN 0 13.375 -3.172 -3.172
2 2H2 SIN 0 2H2 SIN 0 13.144 -1.463 -1.463
3 1H3 SIN 0 1H3 SIN 0 15.608 -1.798 -1.798
4 2H3 SIN 0 2H3 SIN 0 14.998 -3.441 -3.441
5 H ASP 1 HN ASP 1 13.542 -0.164 -0.164
6 HA ASP 1 HA ASP 1 11.333 -1.427 -1.427
7 1HB ASP 1 HB1 ASP 1 11.478 -0.171 -0.171
8 2HB ASP 1 HB2 ASP 1 12.565 -1.548 -1.548
9 H TRP 2 HN TRP 2 13.107 1.649 1.649
10 HA TRP 2 HA TRP 2 10.924 3.399 3.399
11 1HB TRP 2 HB1 TRP 2 12.295 5.032 5.032
12 2HB TRP 2 HB2 TRP 2 13.328 4.092 4.092
13 HD1 TRP 2 HD1 TRP 2 14.699 2.056 2.056
14 HE1 TRP 2 HE1 TRP 2 15.730 1.881 1.881
15 HE3 TRP 2 HE3 TRP 2 12.069 5.719 5.719
16 HZ2 TRP 2 HZ2 TRP 2 15.450 3.148 3.148
17 HZ3 TRP 2 HZ3 TRP 2 12.465 6.224 6.224
18 HH2 TRP 2 HH2 TRP 2 14.152 4.940 4.940
19 H LEU 3 HN LEU 3 11.942 1.336 1.336
20 HA LEU 3 HA LEU 3 10.582 2.649 2.649
21 1HB LEU 3 HB1 LEU 3 11.961 0.185 0.185
22 2HB LEU 3 HB2 LEU 3 10.396 -0.181 -0.181
23 HG LEU 3 HG LEU 3 11.145 2.065 2.065
24 1HD1 LEU 3 HD11 LEU 3 13.427 1.568 1.568
25 2HD1 LEU 3 HD12 LEU 3 13.667 0.481 0.481
26 3HD1 LEU 3 HD13 LEU 3 13.415 2.204 2.204
27 1HD2 LEU 3 HD22 LEU 3 11.729 -0.846 -0.846
28 2HD2 LEU 3 HD23 LEU 3 10.263 0.046 0.046
29 3HD2 LEU 3 HD21 LEU 3 11.786 0.450 0.450
30 H LYS 4 HN LYS 4 9.402 0.385 0.385
31 HA LYS 4 HA LYS 4 6.886 -0.249 -0.249
32 1HB LYS 4 HB1 LYS 4 6.120 -0.547 -0.547
33 2HB LYS 4 HB2 LYS 4 7.843 -0.925 -0.925
34 1HG LYS 4 HG1 LYS 4 8.116 1.622 1.622
35 2HG LYS 4 HG2 LYS 4 6.417 1.519 1.519
36 1HD LYS 4 HD1 LYS 4 7.510 -0.727 -0.727
37 2HD LYS 4 HD2 LYS 4 8.797 0.466 0.466
38 1HE LYS 4 HE1 LYS 4 5.952 1.202 1.202
39 2HE LYS 4 HE2 LYS 4 6.934 0.333 0.333
40 1HZ LYS 4 HZ3 LYS 4 8.599 2.281 2.281
41 2HZ LYS 4 HZ1 LYS 4 7.099 3.073 3.073
42 3HZ LYS 4 HZ2 LYS 4 7.664 2.347 2.347
43 H ALA 5 HN ALA 5 8.063 2.765 2.765
44 HA ALA 5 HA ALA 5 5.475 4.101 4.101
45 1HB ALA 5 HB3 ALA 5 7.928 4.646 4.646
46 2HB ALA 5 HB1 ALA 5 7.848 5.824 5.824
47 3HB ALA 5 HB2 ALA 5 6.570 5.768 5.768
48 H ARG 6 HN ARG 6 8.354 3.892 3.892
49 HA ARG 6 HA ARG 6 7.732 5.812 5.812
50 1HB ARG 6 HB1 ARG 6 9.158 3.166 3.166
51 2HB ARG 6 HB2 ARG 6 8.855 4.028 4.028
52 1HG ARG 6 HG1 ARG 6 10.018 5.576 5.576
53 2HG ARG 6 HG2 ARG 6 11.071 4.444 4.444
54 1HD ARG 6 HD1 ARG 6 11.195 6.679 6.679
55 2HD ARG 6 HD2 ARG 6 10.478 5.522 5.522
56 HE ARG 6 HE ARG 6 8.322 6.568 6.568
57 1HH1 ARG 6 HH11 ARG 6 9.398 7.402 7.402
58 2HH1 ARG 6 HH12 ARG 6 9.247 9.121 9.121
59 1HH2 ARG 6 HH21 ARG 6 8.790 9.047 9.047
60 2HH2 ARG 6 HH22 ARG 6 8.903 10.052 10.052
61 H VAL 7 HN VAL 7 6.457 2.539 2.539
62 HA VAL 7 HA VAL 7 4.892 2.714 2.714
63 HB VAL 7 HB VAL 7 4.598 0.559 0.559
64 1HG1 VAL 7 HG12 VAL 7 4.504 0.692 0.692
65 2HG1 VAL 7 HG13 VAL 7 4.402 -0.812 -0.812
66 3HG1 VAL 7 HG11 VAL 7 3.149 0.416 0.416
67 1HG2 VAL 7 HG21 VAL 7 7.001 1.225 1.225
68 2HG2 VAL 7 HG22 VAL 7 6.897 0.422 0.422
69 3HG2 VAL 7 HG23 VAL 7 6.539 -0.475 -0.475
70 H GLU 8 HN GLU 8 4.465 3.210 3.210
71 HA GLU 8 HA GLU 8 1.597 2.939 2.939
72 1HB GLU 8 HB1 GLU 8 3.545 3.282 3.282
73 2HB GLU 8 HB2 GLU 8 2.783 4.873 4.873
74 1HG GLU 8 HG1 GLU 8 1.499 3.659 3.659
75 2HG GLU 8 HG2 GLU 8 0.544 3.565 3.565
76 H GLN 9 HN GLN 9 3.773 5.649 5.649
77 HA GLN 9 HA GLN 9 1.775 7.693 7.693
78 1HB GLN 9 HB1 GLN 9 4.570 7.420 7.420
79 2HB GLN 9 HB2 GLN 9 3.630 8.581 8.581
80 1HG GLN 9 HG1 GLN 9 2.912 9.668 9.668
81 2HG GLN 9 HG2 GLN 9 3.931 8.542 8.542
82 1HE2 GLN 9 HE22 GLN 9 6.045 11.522 11.522
83 2HE2 GLN 9 HE21 GLN 9 4.696 11.068 11.068
84 H GLU 10 HN GLU 10 3.211 5.866 5.866
85 HA GLU 10 HA GLU 10 1.572 6.999 6.999
86 1HB GLU 10 HB1 GLU 10 2.671 4.175 4.175
87 2HB GLU 10 HB2 GLU 10 2.253 5.129 5.129
88 1HG GLU 10 HG1 GLU 10 4.011 6.768 6.768
89 2HG GLU 10 HG2 GLU 10 4.436 5.792 5.792
90 H LEU 11 HN LEU 11 1.110 4.068 4.068
91 HA LEU 11 HA LEU 11 -1.402 3.381 3.381
92 1HB LEU 11 HB1 LEU 11 -0.154 2.564 2.564
93 2HB LEU 11 HB2 LEU 11 -1.646 1.871 1.871
94 HG LEU 11 HG LEU 11 0.919 1.918 1.918
95 1HD1 LEU 11 HD13 LEU 11 1.316 0.697 0.697
96 2HD1 LEU 11 HD11 LEU 11 -0.115 -0.288 -0.288
97 3HD1 LEU 11 HD12 LEU 11 1.281 -0.404 -0.404
98 1HD2 LEU 11 HD22 LEU 11 -1.783 1.179 1.179
99 2HD2 LEU 11 HD23 LEU 11 -0.390 0.983 0.983
100 3HD2 LEU 11 HD21 LEU 11 -0.837 -0.308 -0.308
101 H GLN 12 HN GLN 12 -0.505 5.771 5.771
102 HA GLN 12 HA GLN 12 -2.916 5.867 5.867
103 1HB GLN 12 HB1 GLN 12 -0.632 7.030 7.030
104 2HB GLN 12 HB2 GLN 12 -1.240 8.286 8.286
105 1HG GLN 12 HG1 GLN 12 -3.372 7.787 7.787
106 2HG GLN 12 HG2 GLN 12 -1.951 7.720 7.720
107 1HE2 GLN 12 HE22 GLN 12 -3.035 11.300 11.300
108 2HE2 GLN 12 HE21 GLN 12 -3.771 9.876 9.876
109 H ALA 13 HN ALA 13 -1.924 7.439 7.439
110 HA ALA 13 HA ALA 13 -4.172 9.166 9.166
111 1HB ALA 13 HB1 ALA 13 -2.293 7.890 7.890
112 2HB ALA 13 HB2 ALA 13 -3.616 8.931 8.931
113 3HB ALA 13 HB3 ALA 13 -2.354 9.572 9.572
114 H LEU 14 HN LEU 14 -3.734 5.748 5.748
115 HA LEU 14 HA LEU 14 -6.121 5.443 5.443
116 1HB LEU 14 HB1 LEU 14 -4.271 3.610 3.610
117 2HB LEU 14 HB2 LEU 14 -5.853 2.984 2.984
118 HG LEU 14 HG LEU 14 -5.402 3.768 3.768
119 1HD1 LEU 14 HD13 LEU 14 -2.930 4.707 4.707
120 2HD1 LEU 14 HD11 LEU 14 -2.730 4.020 4.020
121 3HD1 LEU 14 HD12 LEU 14 -3.793 5.406 5.406
122 1HD2 LEU 14 HD23 LEU 14 -4.044 1.615 1.615
123 2HD2 LEU 14 HD21 LEU 14 -4.871 1.567 1.567
124 3HD2 LEU 14 HD22 LEU 14 -3.188 2.089 2.089
125 H GLU 15 HN GLU 15 -5.476 4.926 4.926
126 HA GLU 15 HA GLU 15 -8.033 4.024 4.024
127 1HB GLU 15 HB1 GLU 15 -5.908 4.284 4.284
128 2HB GLU 15 HB2 GLU 15 -6.420 5.956 5.956
129 1HG GLU 15 HG1 GLU 15 -8.737 4.483 4.483
130 2HG GLU 15 HG2 GLU 15 -7.466 3.504 3.504
131 H ALA 16 HN ALA 16 -6.871 7.344 7.344
132 HA ALA 16 HA ALA 16 -9.170 8.706 8.706
133 1HB ALA 16 HB2 ALA 16 -7.274 9.457 9.457
134 2HB ALA 16 HB3 ALA 16 -8.441 10.557 10.557
135 3HB ALA 16 HB1 ALA 16 -7.114 9.906 9.906
136 H ARG 17 HN ARG 17 -8.489 7.217 7.217
137 HA ARG 17 HA ARG 17 -11.325 7.786 7.786
138 1HB ARG 17 HB1 ARG 17 -10.578 7.693 7.693
139 2HB ARG 17 HB2 ARG 17 -9.670 8.919 8.919
140 1HG ARG 17 HG1 ARG 17 -8.026 6.868 6.868
141 2HG ARG 17 HG2 ARG 17 -8.767 6.262 6.262
142 1HD ARG 17 HD1 ARG 17 -8.129 8.271 8.271
143 2HD ARG 17 HD2 ARG 17 -7.544 9.022 9.022
144 HE ARG 17 HE ARG 17 -5.858 7.044 7.044
145 1HH1 ARG 17 HH21 ARG 17 -5.539 5.484 5.484
146 2HH1 ARG 17 HH22 ARG 17 -4.991 6.356 6.356
147 1HH2 ARG 17 HH11 ARG 17 -5.897 9.458 9.458
148 2HH2 ARG 17 HH12 ARG 17 -5.192 8.605 8.605
149 H GLY 18 HN GLY 18 -10.761 5.563 5.563
150 1HA GLY 18 HA1 GLY 18 -10.724 3.280 3.280
151 2HA GLY 18 HA2 GLY 18 -10.385 3.149 3.149
152 H THR 19 HN THR 19 -12.921 5.244 5.244
153 HA THR 19 HA THR 19 -15.239 5.027 5.027
154 HB THR 19 HB THR 19 -15.379 2.207 2.207
155 HG1 THR 19 HG1 THR 19 -14.157 2.423 2.423
156 1HG2 THR 19 HG21 THR 19 -16.901 4.650 4.650
157 2HG2 THR 19 HG22 THR 19 -16.723 3.982 3.982
158 3HG2 THR 19 HG23 THR 19 -17.430 3.002 3.002
159 H ASP 20 HN ASP 20 -14.426 4.969 4.969
160 HA ASP 20 HA ASP 20 -14.529 4.052 4.052
161 1HB ASP 20 HB1 ASP 20 -16.923 3.701 3.701
162 2HB ASP 20 HB2 ASP 20 -16.446 2.023 2.023
163 H SER 21 HN SER 21 -12.333 3.185 3.185
164 HA SER 21 HA SER 21 -12.224 0.260 0.260
165 1HB SER 21 HB1 SER 21 -9.702 0.836 0.836
166 2HB SER 21 HB2 SER 21 -10.905 1.062 1.062
167 HG SER 21 HG SER 21 -10.198 3.107 3.107
168 H ASN 22 HN ASN 22 -12.879 0.997 0.997
169 HA ASN 22 HA ASN 22 -10.344 1.158 1.158
170 1HB ASN 22 HB1 ASN 22 -11.920 1.520 1.520
171 2HB ASN 22 HB2 ASN 22 -11.971 2.776 2.776
172 1HD2 ASN 22 HD22 ASN 22 -15.482 2.305 2.305
173 2HD2 ASN 22 HD21 ASN 22 -14.201 3.367 3.367
174 H ALA 23 HN ALA 23 -11.778 -1.212 -1.212
175 HA ALA 23 HA ALA 23 -11.662 -3.038 -3.038
176 1HB ALA 23 HB3 ALA 23 -13.943 -2.779 -2.779
177 2HB ALA 23 HB1 ALA 23 -13.266 -3.477 -3.477
178 3HB ALA 23 HB2 ALA 23 -13.330 -4.433 -4.433
179 H GLU 24 HN GLU 24 -11.196 -2.871 -2.871
180 HA GLU 24 HA GLU 24 -9.709 -5.315 -5.315
181 1HB GLU 24 HB1 GLU 24 -9.937 -2.902 -2.902
182 2HB GLU 24 HB2 GLU 24 -8.915 -4.281 -4.281
183 1HG GLU 24 HG1 GLU 24 -11.645 -4.990 -4.990
184 2HG GLU 24 HG2 GLU 24 -11.573 -4.084 -4.084
185 H LEU 25 HN LEU 25 -8.906 -2.347 -2.347
186 HA LEU 25 HA LEU 25 -6.257 -1.829 -1.829
187 1HB LEU 25 HB1 LEU 25 -7.818 -1.604 -1.604
188 2HB LEU 25 HB2 LEU 25 -6.067 -1.415 -1.415
189 HG LEU 25 HG LEU 25 -7.845 0.112 0.112
190 1HD1 LEU 25 HD13 LEU 25 -7.316 0.494 0.494
191 2HD1 LEU 25 HD11 LEU 25 -6.677 1.845 1.845
192 3HD1 LEU 25 HD12 LEU 25 -8.382 1.414 1.414
193 1HD2 LEU 25 HD22 LEU 25 -4.964 -0.221 -0.221
194 2HD2 LEU 25 HD23 LEU 25 -5.851 0.531 0.531
195 3HD2 LEU 25 HD21 LEU 25 -5.448 1.471 1.471
196 H ARG 26 HN ARG 26 -7.511 -4.465 -4.465
197 HA ARG 26 HA ARG 26 -5.016 -5.388 -5.388
198 1HB ARG 26 HB1 ARG 26 -7.753 -6.370 -6.370
199 2HB ARG 26 HB2 ARG 26 -6.581 -7.670 -7.670
200 1HG ARG 26 HG1 ARG 26 -6.446 -7.696 -7.696
201 2HG ARG 26 HG2 ARG 26 -5.502 -6.216 -6.216
202 1HD ARG 26 HD1 ARG 26 -8.520 -6.340 -6.340
203 2HD ARG 26 HD2 ARG 26 -7.388 -5.933 -5.933
204 HE ARG 26 HE ARG 26 -7.982 -4.235 -4.235
205 1HH1 ARG 26 HH21 ARG 26 -5.305 -4.661 -4.661
206 2HH1 ARG 26 HH22 ARG 26 -5.308 -3.090 -3.090
207 1HH2 ARG 26 HH11 ARG 26 -8.462 -2.257 -2.257
208 2HH2 ARG 26 HH12 ARG 26 -7.097 -1.730 -1.730
209 H ALA 27 HN ALA 27 -6.820 -6.388 -6.388
210 HA ALA 27 HA ALA 27 -4.932 -8.286 -8.286
211 1HB ALA 27 HB2 ALA 27 -7.260 -7.892 -7.892
212 2HB ALA 27 HB3 ALA 27 -6.613 -6.483 -6.483
213 3HB ALA 27 HB1 ALA 27 -6.009 -8.094 -8.094
214 H MET 28 HN MET 28 -5.237 -4.819 -4.819
215 HA MET 28 HA MET 28 -2.948 -4.716 -4.716
216 1HB MET 28 HB1 MET 28 -4.806 -2.927 -2.927
217 2HB MET 28 HB2 MET 28 -3.721 -2.396 -2.396
218 1HG MET 28 HG1 MET 28 -3.043 -1.104 -1.104
219 2HG MET 28 HG2 MET 28 -1.885 -2.435 -2.435
220 1HE MET 28 HE3 MET 28 -1.691 -4.172 -4.172
221 2HE MET 28 HE1 MET 28 -2.419 -4.561 -4.561
222 3HE MET 28 HE2 MET 28 -1.286 -3.219 -3.219
223 H GLU 29 HN GLU 29 -3.256 -4.762 -4.762
224 HA GLU 29 HA GLU 29 -0.620 -3.731 -3.731
225 1HB GLU 29 HB1 GLU 29 -2.766 -5.153 -5.153
226 2HB GLU 29 HB2 GLU 29 -1.133 -5.227 -5.227
227 1HG GLU 29 HG1 GLU 29 -0.986 -2.841 -2.841
228 2HG GLU 29 HG2 GLU 29 -2.434 -2.630 -2.630
229 H ALA 30 HN ALA 30 -1.933 -6.965 -6.965
230 HA ALA 30 HA ALA 30 0.391 -8.439 -8.439
231 1HB ALA 30 HB3 ALA 30 -2.115 -8.929 -8.929
232 2HB ALA 30 HB1 ALA 30 -0.772 -9.876 -9.876
233 3HB ALA 30 HB2 ALA 30 -1.207 -10.000 -10.000
234 H LYS 31 HN LYS 31 -0.733 -7.550 -7.550
235 HA LYS 31 HA LYS 31 1.629 -8.327 -8.327
236 1HB LYS 31 HB1 LYS 31 -0.626 -6.457 -6.457
237 2HB LYS 31 HB2 LYS 31 0.813 -6.366 -6.366
238 1HG LYS 31 HG1 LYS 31 -0.189 -8.053 -8.053
239 2HG LYS 31 HG2 LYS 31 0.431 -9.072 -9.072
240 1HD LYS 31 HD1 LYS 31 -1.720 -8.656 -8.656
241 2HD LYS 31 HD2 LYS 31 -2.328 -7.826 -7.826
242 1HE LYS 31 HE1 LYS 31 -1.714 -10.739 -10.739
243 2HE LYS 31 HE2 LYS 31 -3.120 -9.988 -9.988
244 1HZ LYS 31 HZ2 LYS 31 -1.494 -9.190 -9.190
245 2HZ LYS 31 HZ3 LYS 31 -0.398 -10.316 -10.316
246 3HZ LYS 31 HZ1 LYS 31 -1.871 -10.847 -10.847
247 H LEU 32 HN LEU 32 0.966 -5.519 -5.519
248 HA LEU 32 HA LEU 32 2.794 -3.637 -3.637
249 1HB LEU 32 HB1 LEU 32 1.274 -3.329 -3.329
250 2HB LEU 32 HB2 LEU 32 2.390 -4.310 -4.310
251 HG LEU 32 HG LEU 32 4.033 -2.435 -2.435
252 1HD1 LEU 32 HD13 LEU 32 1.408 -1.412 -1.412
253 2HD1 LEU 32 HD11 LEU 32 2.208 -0.595 -0.595
254 3HD1 LEU 32 HD12 LEU 32 2.901 -0.515 -0.515
255 1HD2 LEU 32 HD22 LEU 32 3.305 -3.286 -3.286
256 2HD2 LEU 32 HD23 LEU 32 4.724 -2.348 -2.348
257 3HD2 LEU 32 HD21 LEU 32 3.238 -1.524 -1.524
258 H LYS 33 HN LYS 33 3.556 -6.027 -6.027
259 HA LYS 33 HA LYS 33 6.348 -5.587 -5.587
260 1HB LYS 33 HB1 LYS 33 4.551 -7.365 -7.365
261 2HB LYS 33 HB2 LYS 33 5.761 -8.377 -8.377
262 1HG LYS 33 HG1 LYS 33 7.329 -6.407 -6.407
263 2HG LYS 33 HG2 LYS 33 6.047 -6.515 -6.515
264 1HD LYS 33 HD1 LYS 33 6.401 -8.993 -8.993
265 2HD LYS 33 HD2 LYS 33 7.766 -8.795 -8.795
266 1HE LYS 33 HE1 LYS 33 8.656 -7.092 -7.092
267 2HE LYS 33 HE2 LYS 33 7.478 -7.808 -7.808
268 1HZ LYS 33 HZ2 LYS 33 9.250 -9.582 -9.582
269 2HZ LYS 33 HZ3 LYS 33 9.884 -8.761 -8.761
270 3HZ LYS 33 HZ1 LYS 33 8.558 -9.802 -9.802
271 H ALA 34 HN ALA 34 4.336 -7.440 -7.440
272 HA ALA 34 HA ALA 34 6.413 -9.029 -9.029
273 1HB ALA 34 HB2 ALA 34 3.623 -8.308 -8.308
274 2HB ALA 34 HB3 ALA 34 4.625 -8.654 -8.654
275 3HB ALA 34 HB1 ALA 34 4.442 -9.863 -9.863
276 H GLU 35 HN GLU 35 5.259 -5.745 -5.745
277 HA GLU 35 HA GLU 35 6.817 -5.401 -5.401
278 1HB GLU 35 HB1 GLU 35 4.733 -4.049 -4.049
279 2HB GLU 35 HB2 GLU 35 6.015 -3.055 -3.055
280 1HG GLU 35 HG1 GLU 35 5.907 -2.008 -2.008
281 2HG GLU 35 HG2 GLU 35 6.955 -3.338 -3.338
282 H ILE 36 HN ILE 36 7.230 -4.311 -4.311
283 HA ILE 36 HA ILE 36 9.640 -2.913 -2.913
284 HB ILE 36 HB ILE 36 8.870 -4.768 -4.768
285 1HG1 ILE 36 HG11 ILE 36 8.518 -1.883 -1.883
286 2HG1 ILE 36 HG12 ILE 36 7.521 -2.531 -2.531
287 1HG2 ILE 36 HG23 ILE 36 11.288 -3.927 -3.927
288 2HG2 ILE 36 HG21 ILE 36 10.630 -2.311 -2.311
289 3HG2 ILE 36 HG22 ILE 36 10.424 -3.552 -3.552
290 1HD1 ILE 36 HD13 ILE 36 7.584 -4.204 -4.204
291 2HD1 ILE 36 HD11 ILE 36 6.854 -2.616 -2.616
292 3HD1 ILE 36 HD12 ILE 36 6.210 -3.709 -3.709
293 H GLN 37 HN GLN 37 9.095 -6.392 -6.392
294 HA GLN 37 HA GLN 37 11.782 -7.241 -7.241
295 1HB GLN 37 HB1 GLN 37 9.317 -8.469 -8.469
296 2HB GLN 37 HB2 GLN 37 10.357 -8.900 -8.900
297 1HG GLN 37 HG1 GLN 37 11.112 -10.530 -10.530
298 2HG GLN 37 HG2 GLN 37 12.074 -9.226 -9.226
299 1HE2 GLN 37 HE22 GLN 37 8.579 -10.213 -10.213
300 2HE2 GLN 37 HE21 GLN 37 8.621 -10.285 -10.285
301 H LYS 38 HN LYS 38 9.961 -6.648 -6.648
302 HA LYS 38 HA LYS 38 12.217 -7.070 -7.070
303 1HB LYS 38 HB1 LYS 38 9.966 -7.179 -7.179
304 2HB LYS 38 HB2 LYS 38 9.655 -5.509 -5.509
305 1HG LYS 38 HG1 LYS 38 10.760 -4.676 -4.676
306 2HG LYS 38 HG2 LYS 38 12.064 -5.856 -5.856
307 1HD LYS 38 HD1 LYS 38 10.720 -7.554 -7.554
308 2HD LYS 38 HD2 LYS 38 9.305 -6.500 -6.500
309 1HE LYS 38 HE1 LYS 38 10.468 -6.555 -6.555
310 2HE LYS 38 HE2 LYS 38 10.408 -4.939 -4.939
311 1HZ LYS 38 HZ3 LYS 38 12.713 -6.477 -6.477
312 2HZ LYS 38 HZ1 LYS 38 12.644 -6.158 -6.158
313 3HZ LYS 38 HZ2 LYS 38 12.611 -4.874 -4.874
314 1HN NH2 39 1HN NH2 39 10.659 -3.778 -3.778
315 2HN NH2 39 2HN NH2 39 12.044 -3.085 -3.085