Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504525 | 2em8 RC | 10198 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 14.820 -19.351 4.904
2 HA2 GLY 1 1HA GLY 1 14.208 -20.767 2.513
3 HA3 GLY 1 2HA GLY 1 12.833 -20.779 3.608
4 H SER 2 H SER 2 12.333 -19.633 1.303
5 HA SER 2 HA SER 2 12.569 -16.736 1.796
6 HB2 SER 2 1HB SER 2 12.574 -18.319 -0.759
7 HB3 SER 2 2HB SER 2 12.074 -16.628 -0.758
8 HG SER 2 HG SER 2 14.259 -16.677 -1.145
9 H SER 3 H SER 3 10.577 -18.199 3.052
10 HA SER 3 HA SER 3 8.146 -18.357 1.655
11 HB2 SER 3 1HB SER 3 8.711 -17.977 4.602
12 HB3 SER 3 2HB SER 3 7.104 -18.287 3.945
13 HG SER 3 HG SER 3 9.155 -20.015 4.397
14 H GLY 4 H GLY 4 6.218 -16.999 2.011
15 HA2 GLY 4 1HA GLY 4 6.906 -14.158 2.421
16 HA3 GLY 4 2HA GLY 4 5.965 -14.667 1.027
17 H SER 5 H SER 5 4.911 -12.776 2.633
18 HA SER 5 HA SER 5 3.280 -13.859 4.715
19 HB2 SER 5 1HB SER 5 4.100 -11.401 4.339
20 HB3 SER 5 2HB SER 5 2.655 -11.267 3.337
21 HG SER 5 HG SER 5 2.231 -10.669 5.495
22 H SER 6 H SER 6 1.574 -15.110 4.403
23 HA SER 6 HA SER 6 0.334 -15.478 1.888
24 HB2 SER 6 1HB SER 6 -0.719 -16.243 4.622
25 HB3 SER 6 2HB SER 6 -1.240 -16.913 3.076
26 HG SER 6 HG SER 6 1.455 -17.035 3.905
27 H GLY 7 H GLY 7 -0.488 -13.583 1.066
28 HA2 GLY 7 1HA GLY 7 -2.179 -11.854 2.615
29 HA3 GLY 7 2HA GLY 7 -1.858 -11.730 0.891
30 H SER 8 H SER 8 -4.360 -11.676 2.645
31 HA SER 8 HA SER 8 -5.874 -13.696 1.121
32 HB2 SER 8 1HB SER 8 -6.118 -12.774 3.959
33 HB3 SER 8 2HB SER 8 -7.562 -13.322 3.109
34 HG SER 8 HG SER 8 -5.783 -14.818 4.287
35 H GLY 9 H GLY 9 -7.563 -13.023 -0.079
36 HA2 GLY 9 1HA GLY 9 -9.404 -11.575 -0.549
37 HA3 GLY 9 2HA GLY 9 -8.579 -10.295 0.327
38 H GLU 10 H GLU 10 -9.467 -11.290 -2.669
39 HA GLU 10 HA GLU 10 -7.113 -10.315 -4.074
40 HB2 GLU 10 1HB GLU 10 -9.682 -11.616 -4.916
41 HB3 GLU 10 2HB GLU 10 -8.688 -10.777 -6.099
42 HG2 GLU 10 1HG GLU 10 -7.915 -12.917 -6.308
43 HG3 GLU 10 2HG GLU 10 -6.778 -12.261 -5.132
44 H LYS 11 H LYS 11 -6.942 -8.386 -5.083
45 HA LYS 11 HA LYS 11 -9.222 -6.538 -4.819
46 HB2 LYS 11 1HB LYS 11 -6.249 -6.073 -4.700
47 HB3 LYS 11 2HB LYS 11 -7.378 -4.757 -4.997
48 HG2 LYS 11 1HG LYS 11 -7.011 -4.665 -2.709
49 HG3 LYS 11 2HG LYS 11 -8.541 -5.534 -2.847
50 HD2 LYS 11 1HD LYS 11 -7.464 -6.908 -1.376
51 HD3 LYS 11 2HD LYS 11 -6.919 -7.630 -2.892
52 HE2 LYS 11 1HE LYS 11 -4.945 -7.418 -1.704
53 HE3 LYS 11 2HE LYS 11 -4.950 -5.958 -2.692
54 HZ1 LYS 11 3HZ LYS 11 -4.462 -5.850 -0.142
55 HZ2 LYS 11 1HZ LYS 11 -6.150 -5.843 -0.020
56 HZ3 LYS 11 2HZ LYS 11 -5.360 -4.632 -0.898
57 HA PRO 12 HA PRO 12 -9.400 -6.231 -9.206
58 HB2 PRO 12 1HB PRO 12 -10.585 -3.798 -9.424
59 HB3 PRO 12 2HB PRO 12 -11.454 -5.247 -8.905
60 HG2 PRO 12 1HG PRO 12 -10.299 -3.036 -7.250
61 HG3 PRO 12 2HG PRO 12 -11.863 -3.856 -7.087
62 HD2 PRO 12 1HD PRO 12 -9.733 -4.458 -5.526
63 HD3 PRO 12 2HD PRO 12 -10.942 -5.668 -6.000
64 H TYR 13 H TYR 13 -8.239 -3.356 -7.461
65 HA TYR 13 HA TYR 13 -6.568 -2.659 -9.767
66 HB2 TYR 13 1HB TYR 13 -7.031 -1.018 -7.274
67 HB3 TYR 13 2HB TYR 13 -6.353 -0.474 -8.805
68 HD1 TYR 13 HD1 TYR 13 -7.868 -0.445 -10.845
69 HD2 TYR 13 HD2 TYR 13 -9.345 -0.922 -6.884
70 HE1 TYR 13 HE1 TYR 13 -10.110 0.220 -11.607
71 HE2 TYR 13 HE2 TYR 13 -11.592 -0.260 -7.635
72 HH TYR 13 HH TYR 13 -12.195 0.698 -10.999
73 H LYS 14 H LYS 14 -4.362 -2.535 -9.653
74 HA LYS 14 HA LYS 14 -3.047 -3.133 -7.111
75 HB2 LYS 14 1HB LYS 14 -2.709 -4.737 -9.647
76 HB3 LYS 14 2HB LYS 14 -1.575 -4.802 -8.304
77 HG2 LYS 14 1HG LYS 14 -3.002 -5.972 -6.971
78 HG3 LYS 14 2HG LYS 14 -4.445 -5.284 -7.721
79 HD2 LYS 14 1HD LYS 14 -4.124 -6.666 -9.683
80 HD3 LYS 14 2HD LYS 14 -2.610 -7.294 -9.027
81 HE2 LYS 14 1HE LYS 14 -5.151 -7.581 -7.477
82 HE3 LYS 14 2HE LYS 14 -4.800 -8.686 -8.805
83 HZ1 LYS 14 3HZ LYS 14 -2.490 -8.566 -7.315
84 HZ2 LYS 14 1HZ LYS 14 -3.597 -9.844 -7.369
85 HZ3 LYS 14 2HZ LYS 14 -3.735 -8.656 -6.174
86 H CYS 15 H CYS 15 -1.184 -2.046 -6.832
87 HA CYS 15 HA CYS 15 -0.481 0.068 -8.517
88 HB2 CYS 15 1HB CYS 15 0.082 -0.142 -6.078
89 HB3 CYS 15 2HB CYS 15 1.339 -1.291 -6.523
90 H VAL 16 H VAL 16 1.508 0.410 -9.708
91 HA VAL 16 HA VAL 16 2.357 -2.035 -11.104
92 HB VAL 16 HB VAL 16 1.302 -0.244 -12.479
93 HG11 VAL 16 1HG1 VAL 16 3.805 1.322 -11.866
94 HG12 VAL 16 2HG1 VAL 16 2.471 1.813 -12.912
95 HG13 VAL 16 3HG1 VAL 16 2.218 1.658 -11.174
96 HG21 VAL 16 3HG2 VAL 16 2.743 -1.815 -13.569
97 HG22 VAL 16 1HG2 VAL 16 3.091 -0.213 -14.221
98 HG23 VAL 16 2HG2 VAL 16 4.181 -0.941 -13.041
99 H GLU 17 H GLU 17 3.440 0.511 -9.071
100 HA GLU 17 HA GLU 17 6.225 0.303 -9.755
101 HB2 GLU 17 1HB GLU 17 4.872 1.591 -7.377
102 HB3 GLU 17 2HB GLU 17 6.574 1.756 -7.785
103 HG2 GLU 17 1HG GLU 17 4.269 2.665 -9.494
104 HG3 GLU 17 2HG GLU 17 5.267 3.700 -8.475
105 H CYS 18 H CYS 18 4.232 -0.701 -6.982
106 HA CYS 18 HA CYS 18 6.412 -2.494 -6.152
107 HB2 CYS 18 1HB CYS 18 5.235 -2.554 -3.952
108 HB3 CYS 18 2HB CYS 18 5.796 -0.948 -4.406
109 H GLY 19 H GLY 19 2.944 -2.333 -6.804
110 HA2 GLY 19 1HA GLY 19 1.893 -4.174 -7.970
111 HA3 GLY 19 2HA GLY 19 2.966 -5.266 -7.107
112 H LYS 20 H LYS 20 1.613 -2.702 -5.277
113 HA LYS 20 HA LYS 20 0.368 -4.417 -3.439
114 HB2 LYS 20 1HB LYS 20 0.261 -1.464 -3.941
115 HB3 LYS 20 2HB LYS 20 -0.830 -2.190 -2.769
116 HG2 LYS 20 1HG LYS 20 2.143 -2.591 -2.662
117 HG3 LYS 20 2HG LYS 20 1.334 -1.233 -1.876
118 HD2 LYS 20 1HD LYS 20 0.875 -4.169 -1.352
119 HD3 LYS 20 2HD LYS 20 1.650 -3.007 -0.272
120 HE2 LYS 20 1HE LYS 20 -0.559 -1.718 -0.383
121 HE3 LYS 20 2HE LYS 20 -1.239 -3.190 -1.076
122 HZ1 LYS 20 3HZ LYS 20 -0.931 -2.614 1.595
123 HZ2 LYS 20 1HZ LYS 20 0.266 -3.763 1.264
124 HZ3 LYS 20 2HZ LYS 20 -1.355 -4.107 0.924
125 H GLY 21 H GLY 21 -2.090 -3.713 -2.821
126 HA2 GLY 21 1HA GLY 21 -3.751 -3.740 -5.229
127 HA3 GLY 21 2HA GLY 21 -3.869 -5.126 -4.154
128 H TYR 22 H TYR 22 -5.422 -2.428 -4.967
129 HA TYR 22 HA TYR 22 -6.456 -2.009 -2.239
130 HB2 TYR 22 1HB TYR 22 -6.061 0.005 -4.454
131 HB3 TYR 22 2HB TYR 22 -7.049 0.321 -3.032
132 HD1 TYR 22 HD2 TYR 22 -3.600 -0.653 -4.044
133 HD2 TYR 22 HD1 TYR 22 -6.067 1.170 -1.096
134 HE1 TYR 22 HE2 TYR 22 -1.593 0.066 -2.817
135 HE2 TYR 22 HE1 TYR 22 -4.067 1.896 0.138
136 HH TYR 22 HH TYR 22 -1.602 1.054 0.306
137 H LYS 23 H LYS 23 -8.601 -2.201 -1.953
138 HA LYS 23 HA LYS 23 -10.211 -3.465 -3.848
139 HB2 LYS 23 1HB LYS 23 -10.635 -3.517 -1.419
140 HB3 LYS 23 2HB LYS 23 -11.086 -1.818 -1.467
141 HG2 LYS 23 1HG LYS 23 -13.089 -2.235 -2.507
142 HG3 LYS 23 2HG LYS 23 -12.526 -3.750 -3.219
143 HD2 LYS 23 1HD LYS 23 -14.033 -4.391 -1.532
144 HD3 LYS 23 2HD LYS 23 -12.432 -4.644 -0.833
145 HE2 LYS 23 1HE LYS 23 -12.658 -2.334 0.177
146 HE3 LYS 23 2HE LYS 23 -14.351 -2.386 -0.311
147 HZ1 LYS 23 3HZ LYS 23 -14.314 -3.130 1.891
148 HZ2 LYS 23 1HZ LYS 23 -12.960 -4.114 1.646
149 HZ3 LYS 23 2HZ LYS 23 -14.452 -4.546 0.977
150 H ARG 24 H ARG 24 -9.894 -0.048 -3.020
151 HA ARG 24 HA ARG 24 -11.612 0.598 -5.326
152 HB2 ARG 24 1HB ARG 24 -12.651 1.355 -3.283
153 HB3 ARG 24 2HB ARG 24 -11.164 2.138 -2.767
154 HG2 ARG 24 1HG ARG 24 -11.422 3.529 -4.929
155 HG3 ARG 24 2HG ARG 24 -13.096 2.971 -4.887
156 HD2 ARG 24 1HD ARG 24 -11.716 4.340 -2.584
157 HD3 ARG 24 2HD ARG 24 -12.695 5.183 -3.784
158 HE ARG 24 HE ARG 24 -14.085 3.007 -2.550
159 HH11 ARG 24 1HH1 ARG 24 -13.166 6.346 -2.195
160 HH12 ARG 24 2HH1 ARG 24 -14.486 6.733 -1.141
161 HH21 ARG 24 1HH2 ARG 24 -15.827 3.504 -1.163
162 HH22 ARG 24 2HH2 ARG 24 -15.998 5.115 -0.554
163 H ARG 25 H ARG 25 -10.719 1.698 -6.951
164 HA ARG 25 HA ARG 25 -8.031 2.081 -7.288
165 HB2 ARG 25 1HB ARG 25 -9.729 2.230 -9.088
166 HB3 ARG 25 2HB ARG 25 -10.207 3.809 -8.478
167 HG2 ARG 25 1HG ARG 25 -8.797 4.452 -10.138
168 HG3 ARG 25 2HG ARG 25 -7.641 4.325 -8.811
169 HD2 ARG 25 1HD ARG 25 -6.982 2.120 -9.544
170 HD3 ARG 25 2HD ARG 25 -8.221 2.133 -10.798
171 HE ARG 25 HE ARG 25 -6.484 4.339 -11.118
172 HH11 ARG 25 1HH1 ARG 25 -6.615 0.883 -11.522
173 HH12 ARG 25 2HH1 ARG 25 -5.443 0.857 -12.798
174 HH21 ARG 25 1HH2 ARG 25 -4.939 4.317 -12.796
175 HH22 ARG 25 2HH2 ARG 25 -4.490 2.811 -13.521
176 H LEU 26 H LEU 26 -10.352 4.650 -6.421
177 HA LEU 26 HA LEU 26 -8.842 6.823 -6.117
178 HB2 LEU 26 1HB LEU 26 -11.284 6.251 -5.308
179 HB3 LEU 26 2HB LEU 26 -10.490 6.114 -3.740
180 HG LEU 26 HG LEU 26 -11.578 8.335 -4.268
181 HD11 LEU 26 1HD1 LEU 26 -10.269 8.927 -2.581
182 HD12 LEU 26 2HD1 LEU 26 -9.010 9.340 -3.744
183 HD13 LEU 26 3HD1 LEU 26 -9.063 7.724 -3.040
184 HD21 LEU 26 3HD2 LEU 26 -9.151 9.032 -5.833
185 HD22 LEU 26 1HD2 LEU 26 -10.766 9.739 -5.871
186 HD23 LEU 26 2HD2 LEU 26 -10.462 8.192 -6.662
187 H ASP 27 H ASP 27 -8.969 4.224 -3.693
188 HA ASP 27 HA ASP 27 -7.193 5.316 -1.848
189 HB2 ASP 27 1HB ASP 27 -7.572 2.390 -2.520
190 HB3 ASP 27 2HB ASP 27 -6.874 3.029 -1.035
191 H LEU 28 H LEU 28 -6.492 3.003 -4.469
192 HA LEU 28 HA LEU 28 -3.719 2.922 -4.096
193 HB2 LEU 28 1HB LEU 28 -4.722 1.243 -5.419
194 HB3 LEU 28 2HB LEU 28 -5.459 2.428 -6.495
195 HG LEU 28 HG LEU 28 -2.900 2.989 -6.980
196 HD11 LEU 28 1HD1 LEU 28 -1.621 0.876 -7.082
197 HD12 LEU 28 2HD1 LEU 28 -2.902 0.088 -6.163
198 HD13 LEU 28 3HD1 LEU 28 -1.970 1.396 -5.433
199 HD21 LEU 28 3HD2 LEU 28 -4.693 0.900 -8.158
200 HD22 LEU 28 1HD2 LEU 28 -3.086 1.193 -8.823
201 HD23 LEU 28 2HD2 LEU 28 -4.275 2.495 -8.785
202 H ASP 29 H ASP 29 -5.672 4.910 -6.304
203 HA ASP 29 HA ASP 29 -3.737 6.258 -7.677
204 HB2 ASP 29 1HB ASP 29 -6.163 6.566 -8.027
205 HB3 ASP 29 2HB ASP 29 -6.252 7.487 -6.528
206 H PHE 30 H PHE 30 -4.739 6.767 -4.350
207 HA PHE 30 HA PHE 30 -3.103 9.124 -4.029
208 HB2 PHE 30 1HB PHE 30 -5.319 8.430 -2.777
209 HB3 PHE 30 2HB PHE 30 -4.199 7.595 -1.705
210 HD1 PHE 30 HD1 PHE 30 -2.359 8.942 -0.609
211 HD2 PHE 30 HD2 PHE 30 -5.680 10.727 -2.584
212 HE1 PHE 30 HE1 PHE 30 -1.937 11.047 0.592
213 HE2 PHE 30 HE2 PHE 30 -5.264 12.835 -1.386
214 HZ PHE 30 HZ PHE 30 -3.390 12.998 0.204
215 H HIS 31 H HIS 31 -2.743 5.716 -3.668
216 HA HIS 31 HA HIS 31 -0.572 5.751 -1.822
217 HB2 HIS 31 1HB HIS 31 -1.568 3.676 -1.857
218 HB3 HIS 31 2HB HIS 31 -1.839 3.715 -3.596
219 HD1 HIS 31 HD1 HIS 31 0.938 3.131 -1.096
220 HD2 HIS 31 HD2 HIS 31 0.049 2.413 -5.090
221 HE1 HIS 31 HE1 HIS 31 2.781 1.641 -1.937
222 H GLN 32 H GLN 32 -0.763 5.395 -5.356
223 HA GLN 32 HA GLN 32 1.847 5.009 -6.019
224 HB2 GLN 32 1HB GLN 32 -0.258 6.691 -7.362
225 HB3 GLN 32 2HB GLN 32 1.334 6.457 -8.073
226 HG2 GLN 32 1HG GLN 32 0.982 4.186 -8.422
227 HG3 GLN 32 2HG GLN 32 -0.348 4.119 -7.267
228 HE21 GLN 32 1HE2 GLN 32 -1.800 3.230 -8.688
229 HE22 GLN 32 2HE2 GLN 32 -2.454 4.095 -10.033
230 H ARG 33 H ARG 33 0.466 7.831 -4.599
231 HA ARG 33 HA ARG 33 2.184 9.848 -5.351
232 HB2 ARG 33 1HB ARG 33 0.881 9.304 -2.684
233 HB3 ARG 33 2HB ARG 33 1.765 10.784 -3.033
234 HG2 ARG 33 1HG ARG 33 0.163 10.983 -5.053
235 HG3 ARG 33 2HG ARG 33 -0.826 9.822 -4.164
236 HD2 ARG 33 1HD ARG 33 -1.300 11.303 -2.485
237 HD3 ARG 33 2HD ARG 33 0.202 12.200 -2.707
238 HE ARG 33 HE ARG 33 -1.517 12.504 -4.947
239 HH11 ARG 33 1HH1 ARG 33 -1.029 13.559 -1.665
240 HH12 ARG 33 2HH1 ARG 33 -1.823 15.081 -1.899
241 HH21 ARG 33 1HH2 ARG 33 -2.565 14.505 -5.266
242 HH22 ARG 33 2HH2 ARG 33 -2.697 15.617 -3.947
243 H VAL 34 H VAL 34 2.656 7.388 -2.847
244 HA VAL 34 HA VAL 34 5.064 8.348 -1.793
245 HB VAL 34 HB VAL 34 5.451 6.077 -0.968
246 HG11 VAL 34 1HG1 VAL 34 2.887 5.804 -0.134
247 HG12 VAL 34 2HG1 VAL 34 4.040 6.951 0.552
248 HG13 VAL 34 3HG1 VAL 34 2.887 7.483 -0.672
249 HG21 VAL 34 3HG2 VAL 34 3.276 4.576 -1.662
250 HG22 VAL 34 1HG2 VAL 34 3.649 5.406 -3.173
251 HG23 VAL 34 2HG2 VAL 34 4.881 4.428 -2.377
252 H HIS 35 H HIS 35 4.382 6.511 -4.683
253 HA HIS 35 HA HIS 35 7.122 5.782 -5.164
254 HB2 HIS 35 1HB HIS 35 4.616 5.626 -6.837
255 HB3 HIS 35 2HB HIS 35 6.195 5.148 -7.453
256 HD1 HIS 35 HD1 HIS 35 7.414 3.254 -5.814
257 HD2 HIS 35 HD2 HIS 35 3.274 3.580 -5.698
258 HE1 HIS 35 HE1 HIS 35 6.597 1.089 -4.830
259 H THR 36 H THR 36 4.981 8.387 -6.076
260 HA THR 36 HA THR 36 6.633 9.422 -8.164
261 HB THR 36 HB THR 36 5.186 11.351 -8.162
262 HG1 THR 36 HG1 THR 36 3.537 11.478 -6.476
263 HG21 THR 36 3HG2 THR 36 3.914 9.862 -9.285
264 HG22 THR 36 1HG2 THR 36 2.887 9.943 -7.855
265 HG23 THR 36 2HG2 THR 36 4.058 8.636 -8.026
266 H GLY 37 H GLY 37 5.994 10.481 -4.816
267 HA2 GLY 37 1HA GLY 37 8.492 11.018 -3.954
268 HA3 GLY 37 2HA GLY 37 8.136 12.425 -4.946
269 H GLU 38 H GLU 38 8.454 11.822 -1.932
270 HA GLU 38 HA GLU 38 6.376 13.670 -1.113
271 HB2 GLU 38 1HB GLU 38 6.427 10.803 -0.315
272 HB3 GLU 38 2HB GLU 38 6.016 11.983 0.921
273 HG2 GLU 38 1HG GLU 38 4.215 12.835 -0.513
274 HG3 GLU 38 2HG GLU 38 4.611 11.607 -1.714
275 H LYS 39 H LYS 39 7.188 15.085 0.287
276 HA LYS 39 HA LYS 39 9.774 14.490 1.526
277 HB2 LYS 39 1HB LYS 39 9.515 17.066 2.067
278 HB3 LYS 39 2HB LYS 39 10.052 16.514 0.486
279 HG2 LYS 39 1HG LYS 39 7.909 16.877 -0.464
280 HG3 LYS 39 2HG LYS 39 7.180 17.137 1.122
281 HD2 LYS 39 1HD LYS 39 8.945 19.072 1.271
282 HD3 LYS 39 2HD LYS 39 8.928 18.943 -0.489
283 HE2 LYS 39 1HE LYS 39 6.416 19.142 -0.357
284 HE3 LYS 39 2HE LYS 39 6.620 19.556 1.345
285 HZ1 LYS 39 3HZ LYS 39 7.584 21.063 -1.016
286 HZ2 LYS 39 1HZ LYS 39 8.134 21.377 0.553
287 HZ3 LYS 39 2HZ LYS 39 6.498 21.577 0.175
288 H LEU 40 H LEU 40 9.588 13.589 3.477
289 HA LEU 40 HA LEU 40 7.604 14.713 5.343
290 HB2 LEU 40 1HB LEU 40 6.955 12.504 5.034
291 HB3 LEU 40 2HB LEU 40 8.618 11.928 4.947
292 HG LEU 40 HG LEU 40 8.828 12.372 7.392
293 HD11 LEU 40 1HD1 LEU 40 7.242 13.397 8.564
294 HD12 LEU 40 2HD1 LEU 40 5.984 12.347 7.911
295 HD13 LEU 40 3HD1 LEU 40 6.472 13.793 7.027
296 HD21 LEU 40 3HD2 LEU 40 8.183 10.152 6.317
297 HD22 LEU 40 1HD2 LEU 40 6.537 10.512 6.836
298 HD23 LEU 40 2HD2 LEU 40 7.823 10.351 8.032
299 H SER 41 H SER 41 10.713 12.960 5.380
300 HA SER 41 HA SER 41 11.505 13.713 7.939
301 HB2 SER 41 1HB SER 41 12.556 12.019 6.238
302 HB3 SER 41 2HB SER 41 13.535 13.403 5.752
303 HG SER 41 HG SER 41 14.619 12.320 7.370
304 H GLY 42 H GLY 42 13.472 15.121 8.407
305 HA2 GLY 42 1HA GLY 42 14.045 17.345 6.738
306 HA3 GLY 42 2HA GLY 42 12.859 17.792 7.956
307 HA PRO 43 HA PRO 43 15.948 18.365 11.008
308 HB2 PRO 43 1HB PRO 43 15.016 17.057 13.197
309 HB3 PRO 43 2HB PRO 43 14.296 18.555 12.594
310 HG2 PRO 43 1HG PRO 43 13.403 15.726 12.190
311 HG3 PRO 43 2HG PRO 43 12.432 17.165 12.556
312 HD2 PRO 43 1HD PRO 43 12.638 16.144 10.056
313 HD3 PRO 43 2HD PRO 43 12.438 17.881 10.365
314 H SER 44 H SER 44 17.899 17.540 11.482
315 HA SER 44 HA SER 44 18.426 14.766 10.867
316 HB2 SER 44 1HB SER 44 20.790 15.371 11.225
317 HB3 SER 44 2HB SER 44 19.997 16.498 10.125
318 HG SER 44 HG SER 44 21.349 17.189 12.161
319 H SER 45 H SER 45 18.922 13.159 12.266
320 HA SER 45 HA SER 45 17.975 13.175 14.860
321 HB2 SER 45 1HB SER 45 18.934 11.039 15.112
322 HB3 SER 45 2HB SER 45 18.666 11.180 13.375
323 HG SER 45 HG SER 45 21.069 11.285 14.824
324 H GLY 46 H GLY 46 19.129 12.984 16.909
325 HA2 GLY 46 1HA GLY 46 21.837 13.918 17.108
326 HA3 GLY 46 2HA GLY 46 20.667 15.145 17.568
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 12.606 -9.802 -2.947
2 HA2 GLY 1 1HA GLY 1 14.148 -11.953 -1.961
3 HA3 GLY 1 2HA GLY 1 13.285 -10.776 -0.982
4 H SER 2 H SER 2 12.509 -12.203 0.531
5 HA SER 2 HA SER 2 11.209 -14.645 -0.173
6 HB2 SER 2 1HB SER 2 11.097 -13.118 2.440
7 HB3 SER 2 2HB SER 2 10.656 -14.808 2.200
8 HG SER 2 HG SER 2 13.232 -13.654 1.897
9 H SER 3 H SER 3 9.128 -15.039 -0.613
10 HA SER 3 HA SER 3 7.325 -12.783 -0.861
11 HB2 SER 3 1HB SER 3 7.451 -14.415 -2.687
12 HB3 SER 3 2HB SER 3 6.949 -15.699 -1.587
13 HG SER 3 HG SER 3 5.051 -14.159 -1.252
14 H GLY 4 H GLY 4 7.277 -15.965 0.746
15 HA2 GLY 4 1HA GLY 4 6.316 -16.591 2.748
16 HA3 GLY 4 2HA GLY 4 5.972 -14.896 3.056
17 H SER 5 H SER 5 4.180 -16.879 3.757
18 HA SER 5 HA SER 5 1.977 -16.349 1.878
19 HB2 SER 5 1HB SER 5 1.057 -18.599 2.492
20 HB3 SER 5 2HB SER 5 2.574 -18.672 1.597
21 HG SER 5 HG SER 5 2.930 -20.009 3.255
22 H SER 6 H SER 6 1.254 -14.617 3.133
23 HA SER 6 HA SER 6 -0.479 -15.335 5.290
24 HB2 SER 6 1HB SER 6 0.597 -13.762 6.948
25 HB3 SER 6 2HB SER 6 1.505 -15.240 6.635
26 HG SER 6 HG SER 6 2.792 -14.012 5.165
27 H GLY 7 H GLY 7 -2.137 -13.922 5.446
28 HA2 GLY 7 1HA GLY 7 -3.518 -12.194 4.825
29 HA3 GLY 7 2HA GLY 7 -2.105 -11.183 5.092
30 H SER 8 H SER 8 -3.853 -13.079 2.693
31 HA SER 8 HA SER 8 -2.812 -11.285 0.622
32 HB2 SER 8 1HB SER 8 -2.599 -14.272 0.678
33 HB3 SER 8 2HB SER 8 -2.809 -13.454 -0.869
34 HG SER 8 HG SER 8 -0.870 -12.560 -0.684
35 H GLY 9 H GLY 9 -4.610 -10.259 0.005
36 HA2 GLY 9 1HA GLY 9 -6.978 -11.915 -0.617
37 HA3 GLY 9 2HA GLY 9 -7.104 -10.312 0.091
38 H GLU 10 H GLU 10 -7.311 -12.015 -2.731
39 HA GLU 10 HA GLU 10 -6.105 -10.487 -4.684
40 HB2 GLU 10 1HB GLU 10 -7.398 -12.642 -4.983
41 HB3 GLU 10 2HB GLU 10 -8.866 -11.675 -4.950
42 HG2 GLU 10 1HG GLU 10 -8.081 -12.243 -7.227
43 HG3 GLU 10 2HG GLU 10 -8.230 -10.512 -6.933
44 H LYS 11 H LYS 11 -6.570 -8.627 -5.771
45 HA LYS 11 HA LYS 11 -8.978 -7.137 -4.998
46 HB2 LYS 11 1HB LYS 11 -6.167 -6.024 -5.033
47 HB3 LYS 11 2HB LYS 11 -7.625 -5.060 -4.840
48 HG2 LYS 11 1HG LYS 11 -7.133 -7.315 -2.960
49 HG3 LYS 11 2HG LYS 11 -6.222 -5.816 -2.765
50 HD2 LYS 11 1HD LYS 11 -8.602 -4.722 -2.985
51 HD3 LYS 11 2HD LYS 11 -9.147 -6.319 -2.469
52 HE2 LYS 11 1HE LYS 11 -7.530 -6.113 -0.543
53 HE3 LYS 11 2HE LYS 11 -7.312 -4.427 -1.011
54 HZ1 LYS 11 3HZ LYS 11 -10.057 -5.335 -0.673
55 HZ2 LYS 11 1HZ LYS 11 -9.344 -3.859 -0.254
56 HZ3 LYS 11 2HZ LYS 11 -9.132 -5.213 0.738
57 HA PRO 12 HA PRO 12 -9.373 -6.246 -9.279
58 HB2 PRO 12 1HB PRO 12 -10.592 -3.822 -9.196
59 HB3 PRO 12 2HB PRO 12 -11.417 -5.327 -8.775
60 HG2 PRO 12 1HG PRO 12 -10.195 -3.269 -6.976
61 HG3 PRO 12 2HG PRO 12 -11.740 -4.124 -6.811
62 HD2 PRO 12 1HD PRO 12 -9.523 -4.842 -5.432
63 HD3 PRO 12 2HD PRO 12 -10.744 -6.019 -5.957
64 H TYR 13 H TYR 13 -8.276 -3.420 -7.398
65 HA TYR 13 HA TYR 13 -6.623 -2.599 -9.678
66 HB2 TYR 13 1HB TYR 13 -7.194 -1.024 -7.165
67 HB3 TYR 13 2HB TYR 13 -6.521 -0.423 -8.676
68 HD1 TYR 13 HD1 TYR 13 -7.992 -0.328 -10.712
69 HD2 TYR 13 HD2 TYR 13 -9.532 -1.144 -6.831
70 HE1 TYR 13 HE1 TYR 13 -10.252 0.245 -11.495
71 HE2 TYR 13 HE2 TYR 13 -11.796 -0.574 -7.603
72 HH TYR 13 HH TYR 13 -13.073 -0.314 -9.531
73 H LYS 14 H LYS 14 -4.423 -2.289 -9.502
74 HA LYS 14 HA LYS 14 -3.099 -2.836 -6.969
75 HB2 LYS 14 1HB LYS 14 -2.483 -4.453 -9.449
76 HB3 LYS 14 2HB LYS 14 -1.669 -4.578 -7.895
77 HG2 LYS 14 1HG LYS 14 -3.097 -6.357 -7.778
78 HG3 LYS 14 2HG LYS 14 -4.077 -5.102 -7.016
79 HD2 LYS 14 1HD LYS 14 -5.563 -6.074 -8.511
80 HD3 LYS 14 2HD LYS 14 -4.965 -4.679 -9.412
81 HE2 LYS 14 1HE LYS 14 -4.961 -6.559 -10.884
82 HE3 LYS 14 2HE LYS 14 -3.286 -6.187 -10.480
83 HZ1 LYS 14 3HZ LYS 14 -3.046 -8.096 -9.313
84 HZ2 LYS 14 1HZ LYS 14 -4.252 -8.629 -10.374
85 HZ3 LYS 14 2HZ LYS 14 -4.660 -8.143 -8.806
86 H CYS 15 H CYS 15 -1.028 -1.990 -6.824
87 HA CYS 15 HA CYS 15 -0.452 0.197 -8.542
88 HB2 CYS 15 1HB CYS 15 0.138 0.041 -6.095
89 HB3 CYS 15 2HB CYS 15 1.420 -1.079 -6.543
90 H VAL 16 H VAL 16 1.582 0.515 -9.709
91 HA VAL 16 HA VAL 16 2.378 -1.951 -11.098
92 HB VAL 16 HB VAL 16 1.408 -0.178 -12.512
93 HG11 VAL 16 1HG1 VAL 16 3.727 1.574 -12.453
94 HG12 VAL 16 2HG1 VAL 16 2.008 1.969 -12.404
95 HG13 VAL 16 3HG1 VAL 16 2.860 1.544 -10.919
96 HG21 VAL 16 3HG2 VAL 16 4.330 -0.774 -12.958
97 HG22 VAL 16 1HG2 VAL 16 2.949 -1.704 -13.540
98 HG23 VAL 16 2HG2 VAL 16 3.257 -0.089 -14.178
99 H GLU 17 H GLU 17 3.513 0.518 -9.013
100 HA GLU 17 HA GLU 17 6.300 0.241 -9.677
101 HB2 GLU 17 1HB GLU 17 4.922 1.567 -7.336
102 HB3 GLU 17 2HB GLU 17 6.653 1.635 -7.640
103 HG2 GLU 17 1HG GLU 17 4.523 2.676 -9.495
104 HG3 GLU 17 2HG GLU 17 5.479 3.655 -8.384
105 H CYS 18 H CYS 18 4.223 -0.765 -6.972
106 HA CYS 18 HA CYS 18 6.337 -2.641 -6.144
107 HB2 CYS 18 1HB CYS 18 5.191 -2.659 -3.935
108 HB3 CYS 18 2HB CYS 18 5.794 -1.068 -4.388
109 H GLY 19 H GLY 19 2.860 -2.308 -6.714
110 HA2 GLY 19 1HA GLY 19 1.694 -4.069 -7.892
111 HA3 GLY 19 2HA GLY 19 2.748 -5.229 -7.097
112 H LYS 20 H LYS 20 1.402 -2.590 -5.291
113 HA LYS 20 HA LYS 20 0.250 -4.267 -3.353
114 HB2 LYS 20 1HB LYS 20 0.189 -1.353 -3.950
115 HB3 LYS 20 2HB LYS 20 -1.046 -1.983 -2.867
116 HG2 LYS 20 1HG LYS 20 1.888 -2.477 -2.451
117 HG3 LYS 20 2HG LYS 20 1.040 -1.082 -1.779
118 HD2 LYS 20 1HD LYS 20 -0.244 -2.388 -0.356
119 HD3 LYS 20 2HD LYS 20 -0.014 -3.846 -1.324
120 HE2 LYS 20 1HE LYS 20 2.094 -4.241 -0.465
121 HE3 LYS 20 2HE LYS 20 2.340 -2.554 -0.017
122 HZ1 LYS 20 3HZ LYS 20 0.183 -3.389 1.464
123 HZ2 LYS 20 1HZ LYS 20 1.760 -3.144 2.026
124 HZ3 LYS 20 2HZ LYS 20 1.268 -4.685 1.530
125 H GLY 21 H GLY 21 -2.209 -3.641 -2.711
126 HA2 GLY 21 1HA GLY 21 -3.902 -3.854 -5.098
127 HA3 GLY 21 2HA GLY 21 -3.987 -5.138 -3.902
128 H TYR 22 H TYR 22 -5.536 -2.484 -4.932
129 HA TYR 22 HA TYR 22 -6.697 -1.990 -2.275
130 HB2 TYR 22 1HB TYR 22 -5.995 0.069 -4.372
131 HB3 TYR 22 2HB TYR 22 -7.035 0.401 -2.992
132 HD1 TYR 22 HD2 TYR 22 -3.600 -0.589 -3.963
133 HD2 TYR 22 HD1 TYR 22 -6.120 0.887 -0.869
134 HE1 TYR 22 HE2 TYR 22 -1.617 -0.076 -2.601
135 HE2 TYR 22 HE1 TYR 22 -4.144 1.404 0.502
136 HH TYR 22 HH TYR 22 -1.112 1.633 -0.658
137 H LYS 23 H LYS 23 -8.787 -2.443 -2.235
138 HA LYS 23 HA LYS 23 -10.271 -3.240 -4.464
139 HB2 LYS 23 1HB LYS 23 -10.652 -3.556 -1.869
140 HB3 LYS 23 2HB LYS 23 -11.662 -2.130 -2.063
141 HG2 LYS 23 1HG LYS 23 -12.037 -4.445 -3.902
142 HG3 LYS 23 2HG LYS 23 -12.687 -4.518 -2.263
143 HD2 LYS 23 1HD LYS 23 -13.217 -2.102 -3.933
144 HD3 LYS 23 2HD LYS 23 -14.136 -3.578 -4.239
145 HE2 LYS 23 1HE LYS 23 -14.949 -3.610 -1.984
146 HE3 LYS 23 2HE LYS 23 -13.888 -2.277 -1.531
147 HZ1 LYS 23 3HZ LYS 23 -16.229 -1.621 -1.927
148 HZ2 LYS 23 1HZ LYS 23 -16.049 -2.055 -3.552
149 HZ3 LYS 23 2HZ LYS 23 -15.124 -0.796 -2.906
150 H ARG 24 H ARG 24 -9.859 -0.101 -2.977
151 HA ARG 24 HA ARG 24 -11.793 1.057 -4.862
152 HB2 ARG 24 1HB ARG 24 -12.319 1.716 -2.647
153 HB3 ARG 24 2HB ARG 24 -10.636 2.057 -2.268
154 HG2 ARG 24 1HG ARG 24 -11.467 4.172 -2.532
155 HG3 ARG 24 2HG ARG 24 -10.877 3.840 -4.162
156 HD2 ARG 24 1HD ARG 24 -13.062 3.359 -4.948
157 HD3 ARG 24 2HD ARG 24 -13.715 3.319 -3.311
158 HE ARG 24 HE ARG 24 -12.668 5.855 -3.691
159 HH11 ARG 24 1HH1 ARG 24 -15.170 3.866 -5.072
160 HH12 ARG 24 2HH1 ARG 24 -16.171 5.208 -5.518
161 HH21 ARG 24 1HH2 ARG 24 -13.977 7.630 -4.274
162 HH22 ARG 24 2HH2 ARG 24 -15.491 7.348 -5.065
163 H ARG 25 H ARG 25 -10.748 1.454 -6.729
164 HA ARG 25 HA ARG 25 -8.154 1.890 -7.292
165 HB2 ARG 25 1HB ARG 25 -9.933 1.842 -8.990
166 HB3 ARG 25 2HB ARG 25 -10.449 3.448 -8.494
167 HG2 ARG 25 1HG ARG 25 -8.367 4.400 -9.240
168 HG3 ARG 25 2HG ARG 25 -7.735 2.796 -9.620
169 HD2 ARG 25 1HD ARG 25 -8.428 3.620 -11.686
170 HD3 ARG 25 2HD ARG 25 -9.764 2.589 -11.178
171 HE ARG 25 HE ARG 25 -10.057 5.361 -10.445
172 HH11 ARG 25 1HH1 ARG 25 -10.626 2.946 -12.888
173 HH12 ARG 25 2HH1 ARG 25 -11.932 3.813 -13.626
174 HH21 ARG 25 1HH2 ARG 25 -11.774 6.512 -11.408
175 HH22 ARG 25 2HH2 ARG 25 -12.584 5.842 -12.784
176 H LEU 26 H LEU 26 -10.386 4.308 -6.010
177 HA LEU 26 HA LEU 26 -8.773 6.565 -6.208
178 HB2 LEU 26 1HB LEU 26 -11.199 6.426 -5.513
179 HB3 LEU 26 2HB LEU 26 -10.623 5.983 -3.908
180 HG LEU 26 HG LEU 26 -11.268 8.370 -4.128
181 HD11 LEU 26 1HD1 LEU 26 -8.343 8.402 -3.649
182 HD12 LEU 26 2HD1 LEU 26 -9.324 7.321 -2.660
183 HD13 LEU 26 3HD1 LEU 26 -9.661 9.052 -2.674
184 HD21 LEU 26 3HD2 LEU 26 -9.962 8.253 -6.536
185 HD22 LEU 26 1HD2 LEU 26 -8.815 9.122 -5.516
186 HD23 LEU 26 2HD2 LEU 26 -10.460 9.729 -5.708
187 H ASP 27 H ASP 27 -8.945 4.126 -3.646
188 HA ASP 27 HA ASP 27 -7.207 5.321 -1.820
189 HB2 ASP 27 1HB ASP 27 -8.046 2.502 -2.367
190 HB3 ASP 27 2HB ASP 27 -6.721 2.794 -1.244
191 H LEU 28 H LEU 28 -6.508 3.053 -4.463
192 HA LEU 28 HA LEU 28 -3.731 2.895 -4.007
193 HB2 LEU 28 1HB LEU 28 -4.660 1.206 -5.329
194 HB3 LEU 28 2HB LEU 28 -5.479 2.359 -6.381
195 HG LEU 28 HG LEU 28 -2.956 3.015 -6.948
196 HD11 LEU 28 1HD1 LEU 28 -2.847 0.296 -5.759
197 HD12 LEU 28 2HD1 LEU 28 -1.649 1.589 -5.745
198 HD13 LEU 28 3HD1 LEU 28 -1.878 0.616 -7.198
199 HD21 LEU 28 3HD2 LEU 28 -4.857 1.044 -8.076
200 HD22 LEU 28 1HD2 LEU 28 -3.211 1.032 -8.711
201 HD23 LEU 28 2HD2 LEU 28 -4.176 2.506 -8.792
202 H ASP 29 H ASP 29 -5.633 4.894 -6.247
203 HA ASP 29 HA ASP 29 -3.680 6.204 -7.622
204 HB2 ASP 29 1HB ASP 29 -6.310 6.498 -7.553
205 HB3 ASP 29 2HB ASP 29 -5.903 7.868 -6.523
206 H PHE 30 H PHE 30 -4.640 6.726 -4.288
207 HA PHE 30 HA PHE 30 -2.995 9.069 -3.967
208 HB2 PHE 30 1HB PHE 30 -5.162 8.382 -2.667
209 HB3 PHE 30 2HB PHE 30 -4.044 7.462 -1.664
210 HD1 PHE 30 HD1 PHE 30 -2.001 8.785 -0.742
211 HD2 PHE 30 HD2 PHE 30 -5.586 10.588 -2.160
212 HE1 PHE 30 HE1 PHE 30 -1.487 10.815 0.551
213 HE2 PHE 30 HE2 PHE 30 -5.078 12.621 -0.871
214 HZ PHE 30 HZ PHE 30 -3.026 12.737 0.486
215 H HIS 31 H HIS 31 -2.637 5.644 -3.583
216 HA HIS 31 HA HIS 31 -0.381 5.694 -1.849
217 HB2 HIS 31 1HB HIS 31 -1.369 3.619 -1.816
218 HB3 HIS 31 2HB HIS 31 -1.737 3.646 -3.538
219 HD1 HIS 31 HD1 HIS 31 1.031 2.857 -1.129
220 HD2 HIS 31 HD2 HIS 31 0.206 2.545 -5.189
221 HE1 HIS 31 HE1 HIS 31 2.857 1.411 -2.077
222 H GLN 32 H GLN 32 -0.745 5.386 -5.368
223 HA GLN 32 HA GLN 32 1.851 4.969 -6.132
224 HB2 GLN 32 1HB GLN 32 -0.322 6.611 -7.417
225 HB3 GLN 32 2HB GLN 32 1.240 6.368 -8.189
226 HG2 GLN 32 1HG GLN 32 0.885 4.090 -8.478
227 HG3 GLN 32 2HG GLN 32 -0.394 4.040 -7.266
228 HE21 GLN 32 1HE2 GLN 32 -1.858 3.079 -8.651
229 HE22 GLN 32 2HE2 GLN 32 -2.591 3.928 -9.965
230 H ARG 33 H ARG 33 0.524 7.772 -4.654
231 HA ARG 33 HA ARG 33 2.256 9.769 -5.539
232 HB2 ARG 33 1HB ARG 33 0.943 9.407 -2.841
233 HB3 ARG 33 2HB ARG 33 1.757 10.879 -3.354
234 HG2 ARG 33 1HG ARG 33 0.126 10.836 -5.342
235 HG3 ARG 33 2HG ARG 33 -0.794 9.689 -4.366
236 HD2 ARG 33 1HD ARG 33 -0.766 11.379 -2.518
237 HD3 ARG 33 2HD ARG 33 -0.052 12.521 -3.655
238 HE ARG 33 HE ARG 33 -2.442 11.408 -4.700
239 HH11 ARG 33 1HH1 ARG 33 -1.254 13.728 -2.393
240 HH12 ARG 33 2HH1 ARG 33 -2.671 14.722 -2.467
241 HH21 ARG 33 1HH2 ARG 33 -4.313 12.708 -4.806
242 HH22 ARG 33 2HH2 ARG 33 -4.411 14.141 -3.839
243 H VAL 34 H VAL 34 2.656 7.351 -3.003
244 HA VAL 34 HA VAL 34 5.026 8.352 -1.873
245 HB VAL 34 HB VAL 34 5.394 6.053 -1.036
246 HG11 VAL 34 1HG1 VAL 34 2.954 7.624 -0.671
247 HG12 VAL 34 2HG1 VAL 34 2.809 5.939 -0.164
248 HG13 VAL 34 3HG1 VAL 34 4.069 6.964 0.525
249 HG21 VAL 34 3HG2 VAL 34 2.904 4.907 -1.893
250 HG22 VAL 34 1HG2 VAL 34 3.891 5.335 -3.291
251 HG23 VAL 34 2HG2 VAL 34 4.540 4.266 -2.047
252 H HIS 35 H HIS 35 4.435 6.831 -4.877
253 HA HIS 35 HA HIS 35 7.207 5.991 -5.216
254 HB2 HIS 35 1HB HIS 35 4.757 5.705 -6.958
255 HB3 HIS 35 2HB HIS 35 6.367 5.208 -7.472
256 HD1 HIS 35 HD1 HIS 35 7.515 3.369 -5.776
257 HD2 HIS 35 HD2 HIS 35 3.380 3.763 -5.669
258 HE1 HIS 35 HE1 HIS 35 6.667 1.267 -4.687
259 H THR 36 H THR 36 4.924 8.375 -6.446
260 HA THR 36 HA THR 36 6.694 9.435 -8.422
261 HB THR 36 HB THR 36 5.082 11.298 -8.586
262 HG1 THR 36 HG1 THR 36 4.123 10.109 -6.221
263 HG21 THR 36 3HG2 THR 36 4.570 8.537 -9.063
264 HG22 THR 36 1HG2 THR 36 3.963 9.937 -9.947
265 HG23 THR 36 2HG2 THR 36 3.061 9.304 -8.570
266 H GLY 37 H GLY 37 6.107 10.049 -5.040
267 HA2 GLY 37 1HA GLY 37 7.098 12.613 -4.725
268 HA3 GLY 37 2HA GLY 37 7.251 11.340 -3.523
269 H GLU 38 H GLU 38 8.912 9.580 -4.956
270 HA GLU 38 HA GLU 38 11.437 10.966 -4.632
271 HB2 GLU 38 1HB GLU 38 10.867 8.596 -3.787
272 HB3 GLU 38 2HB GLU 38 11.115 8.090 -5.452
273 HG2 GLU 38 1HG GLU 38 13.391 8.826 -5.405
274 HG3 GLU 38 2HG GLU 38 13.170 9.553 -3.815
275 H LYS 39 H LYS 39 12.587 11.801 -6.237
276 HA LYS 39 HA LYS 39 11.709 11.551 -8.957
277 HB2 LYS 39 1HB LYS 39 12.706 13.630 -7.868
278 HB3 LYS 39 2HB LYS 39 14.268 12.836 -8.011
279 HG2 LYS 39 1HG LYS 39 13.558 12.586 -10.524
280 HG3 LYS 39 2HG LYS 39 12.501 13.944 -10.131
281 HD2 LYS 39 1HD LYS 39 14.488 14.917 -10.934
282 HD3 LYS 39 2HD LYS 39 14.573 15.076 -9.178
283 HE2 LYS 39 1HE LYS 39 16.709 14.345 -9.867
284 HE3 LYS 39 2HE LYS 39 15.912 12.929 -9.182
285 HZ1 LYS 39 3HZ LYS 39 15.299 12.310 -11.500
286 HZ2 LYS 39 1HZ LYS 39 16.962 12.273 -11.189
287 HZ3 LYS 39 2HZ LYS 39 16.292 13.562 -12.055
288 H LEU 40 H LEU 40 12.180 9.849 -10.173
289 HA LEU 40 HA LEU 40 14.377 8.102 -9.571
290 HB2 LEU 40 1HB LEU 40 12.447 8.157 -11.885
291 HB3 LEU 40 2HB LEU 40 13.629 6.882 -11.595
292 HG LEU 40 HG LEU 40 12.359 6.755 -9.266
293 HD11 LEU 40 1HD1 LEU 40 10.325 7.892 -11.174
294 HD12 LEU 40 2HD1 LEU 40 10.833 8.559 -9.623
295 HD13 LEU 40 3HD1 LEU 40 9.921 7.051 -9.676
296 HD21 LEU 40 3HD2 LEU 40 12.501 5.222 -11.530
297 HD22 LEU 40 1HD2 LEU 40 10.763 5.459 -11.340
298 HD23 LEU 40 2HD2 LEU 40 11.705 4.755 -10.026
299 H SER 41 H SER 41 16.211 7.708 -10.812
300 HA SER 41 HA SER 41 17.421 9.952 -12.003
301 HB2 SER 41 1HB SER 41 18.813 8.267 -11.007
302 HB3 SER 41 2HB SER 41 18.156 7.019 -12.066
303 HG SER 41 HG SER 41 20.212 8.692 -12.499
304 H GLY 42 H GLY 42 16.065 10.710 -13.651
305 HA2 GLY 42 1HA GLY 42 16.469 10.567 -16.172
306 HA3 GLY 42 2HA GLY 42 15.800 8.950 -16.001
307 HA PRO 43 HA PRO 43 12.503 12.469 -16.314
308 HB2 PRO 43 1HB PRO 43 12.329 12.853 -18.996
309 HB3 PRO 43 2HB PRO 43 13.380 13.819 -17.953
310 HG2 PRO 43 1HG PRO 43 14.068 11.483 -19.693
311 HG3 PRO 43 2HG PRO 43 14.947 13.006 -19.466
312 HD2 PRO 43 1HD PRO 43 15.671 10.709 -18.229
313 HD3 PRO 43 2HD PRO 43 15.904 12.306 -17.490
314 H SER 44 H SER 44 13.216 9.432 -17.649
315 HA SER 44 HA SER 44 10.675 8.937 -18.887
316 HB2 SER 44 1HB SER 44 11.463 6.645 -19.137
317 HB3 SER 44 2HB SER 44 12.749 7.765 -19.586
318 HG SER 44 HG SER 44 12.642 6.913 -16.933
319 H SER 45 H SER 45 9.268 9.559 -17.147
320 HA SER 45 HA SER 45 8.307 7.379 -15.648
321 HB2 SER 45 1HB SER 45 10.218 7.721 -14.205
322 HB3 SER 45 2HB SER 45 9.872 9.446 -14.087
323 HG SER 45 HG SER 45 8.944 7.477 -12.568
324 H GLY 46 H GLY 46 6.326 7.824 -14.633
325 HA2 GLY 46 1HA GLY 46 4.848 9.956 -15.757
326 HA3 GLY 46 2HA GLY 46 4.297 8.888 -14.475
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 8.687 -17.933 11.891
2 HA2 GLY 1 1HA GLY 1 9.793 -16.271 9.711
3 HA3 GLY 1 2HA GLY 1 8.938 -17.776 9.409
4 H SER 2 H SER 2 7.829 -16.001 8.014
5 HA SER 2 HA SER 2 5.304 -15.448 9.288
6 HB2 SER 2 1HB SER 2 7.156 -13.219 8.456
7 HB3 SER 2 2HB SER 2 5.410 -12.992 8.546
8 HG SER 2 HG SER 2 5.784 -12.613 10.576
9 H SER 3 H SER 3 3.776 -14.370 7.688
10 HA SER 3 HA SER 3 4.341 -15.425 4.997
11 HB2 SER 3 1HB SER 3 2.394 -16.359 6.470
12 HB3 SER 3 2HB SER 3 1.562 -14.879 5.991
13 HG SER 3 HG SER 3 1.865 -15.494 3.819
14 H GLY 4 H GLY 4 2.674 -12.804 6.730
15 HA2 GLY 4 1HA GLY 4 2.631 -10.544 6.187
16 HA3 GLY 4 2HA GLY 4 3.522 -10.909 4.717
17 H SER 5 H SER 5 0.455 -12.297 5.808
18 HA SER 5 HA SER 5 -0.920 -10.897 3.626
19 HB2 SER 5 1HB SER 5 -0.426 -13.033 2.663
20 HB3 SER 5 2HB SER 5 -0.932 -13.878 4.126
21 HG SER 5 HG SER 5 -2.561 -13.961 2.555
22 H SER 6 H SER 6 -2.700 -9.938 4.332
23 HA SER 6 HA SER 6 -3.886 -10.863 6.858
24 HB2 SER 6 1HB SER 6 -4.850 -8.600 7.033
25 HB3 SER 6 2HB SER 6 -3.094 -8.540 6.874
26 HG SER 6 HG SER 6 -4.491 -8.462 4.495
27 H GLY 7 H GLY 7 -4.508 -12.305 4.558
28 HA2 GLY 7 1HA GLY 7 -6.282 -13.073 3.315
29 HA3 GLY 7 2HA GLY 7 -7.260 -12.500 4.658
30 H SER 8 H SER 8 -5.305 -10.646 2.352
31 HA SER 8 HA SER 8 -7.359 -8.725 1.964
32 HB2 SER 8 1HB SER 8 -4.698 -9.245 0.671
33 HB3 SER 8 2HB SER 8 -5.795 -8.040 -0.004
34 HG SER 8 HG SER 8 -5.842 -7.196 2.247
35 H GLY 9 H GLY 9 -6.040 -11.286 -0.129
36 HA2 GLY 9 1HA GLY 9 -7.288 -12.621 -1.603
37 HA3 GLY 9 2HA GLY 9 -8.639 -11.511 -1.431
38 H GLU 10 H GLU 10 -8.593 -11.974 -3.845
39 HA GLU 10 HA GLU 10 -6.555 -10.599 -5.357
40 HB2 GLU 10 1HB GLU 10 -7.959 -12.721 -6.004
41 HB3 GLU 10 2HB GLU 10 -9.136 -11.535 -6.551
42 HG2 GLU 10 1HG GLU 10 -7.328 -10.518 -7.950
43 HG3 GLU 10 2HG GLU 10 -6.314 -11.894 -7.520
44 H LYS 11 H LYS 11 -6.595 -8.435 -5.087
45 HA LYS 11 HA LYS 11 -9.058 -6.951 -4.960
46 HB2 LYS 11 1HB LYS 11 -6.168 -6.081 -5.100
47 HB3 LYS 11 2HB LYS 11 -7.518 -4.963 -4.955
48 HG2 LYS 11 1HG LYS 11 -7.176 -7.171 -2.971
49 HG3 LYS 11 2HG LYS 11 -6.227 -5.689 -2.836
50 HD2 LYS 11 1HD LYS 11 -8.610 -4.574 -3.157
51 HD3 LYS 11 2HD LYS 11 -9.150 -6.119 -2.495
52 HE2 LYS 11 1HE LYS 11 -6.981 -4.528 -1.169
53 HE3 LYS 11 2HE LYS 11 -8.682 -4.177 -0.869
54 HZ1 LYS 11 3HZ LYS 11 -7.736 -6.943 -0.604
55 HZ2 LYS 11 1HZ LYS 11 -8.997 -6.156 0.204
56 HZ3 LYS 11 2HZ LYS 11 -7.392 -5.843 0.635
57 HA PRO 12 HA PRO 12 -9.635 -6.049 -9.218
58 HB2 PRO 12 1HB PRO 12 -10.715 -3.562 -9.076
59 HB3 PRO 12 2HB PRO 12 -11.597 -5.021 -8.607
60 HG2 PRO 12 1HG PRO 12 -10.170 -3.033 -6.882
61 HG3 PRO 12 2HG PRO 12 -11.748 -3.803 -6.632
62 HD2 PRO 12 1HD PRO 12 -9.502 -4.641 -5.372
63 HD3 PRO 12 2HD PRO 12 -10.812 -5.750 -5.828
64 H TYR 13 H TYR 13 -8.304 -3.272 -7.415
65 HA TYR 13 HA TYR 13 -6.703 -2.576 -9.775
66 HB2 TYR 13 1HB TYR 13 -7.077 -0.891 -7.301
67 HB3 TYR 13 2HB TYR 13 -6.510 -0.376 -8.885
68 HD1 TYR 13 HD1 TYR 13 -8.087 -0.068 -10.732
69 HD2 TYR 13 HD2 TYR 13 -9.432 -1.173 -6.849
70 HE1 TYR 13 HE1 TYR 13 -10.385 0.546 -11.359
71 HE2 TYR 13 HE2 TYR 13 -11.733 -0.563 -7.466
72 HH TYR 13 HH TYR 13 -12.972 0.622 -9.010
73 H LYS 14 H LYS 14 -4.494 -2.425 -9.697
74 HA LYS 14 HA LYS 14 -3.144 -3.043 -7.172
75 HB2 LYS 14 1HB LYS 14 -2.590 -4.494 -9.767
76 HB3 LYS 14 2HB LYS 14 -1.717 -4.711 -8.256
77 HG2 LYS 14 1HG LYS 14 -3.127 -6.482 -8.122
78 HG3 LYS 14 2HG LYS 14 -4.144 -5.260 -7.356
79 HD2 LYS 14 1HD LYS 14 -5.557 -5.115 -9.150
80 HD3 LYS 14 2HD LYS 14 -4.304 -5.564 -10.310
81 HE2 LYS 14 1HE LYS 14 -4.471 -7.855 -9.744
82 HE3 LYS 14 2HE LYS 14 -5.432 -7.504 -8.308
83 HZ1 LYS 14 3HZ LYS 14 -7.289 -7.548 -9.498
84 HZ2 LYS 14 1HZ LYS 14 -6.386 -8.162 -10.791
85 HZ3 LYS 14 2HZ LYS 14 -6.667 -6.498 -10.670
86 H CYS 15 H CYS 15 -1.109 -2.164 -6.958
87 HA CYS 15 HA CYS 15 -0.515 0.081 -8.612
88 HB2 CYS 15 1HB CYS 15 -0.036 -0.130 -6.129
89 HB3 CYS 15 2HB CYS 15 1.314 -1.174 -6.564
90 H VAL 16 H VAL 16 1.414 0.445 -9.828
91 HA VAL 16 HA VAL 16 2.415 -2.010 -11.094
92 HB VAL 16 HB VAL 16 1.325 -0.323 -12.561
93 HG11 VAL 16 1HG1 VAL 16 3.701 1.442 -12.387
94 HG12 VAL 16 2HG1 VAL 16 2.023 1.831 -12.774
95 HG13 VAL 16 3HG1 VAL 16 2.503 1.562 -11.098
96 HG21 VAL 16 3HG2 VAL 16 3.012 -0.379 -14.302
97 HG22 VAL 16 1HG2 VAL 16 4.267 -0.708 -13.107
98 HG23 VAL 16 2HG2 VAL 16 3.010 -1.906 -13.418
99 H GLU 17 H GLU 17 3.320 0.394 -8.922
100 HA GLU 17 HA GLU 17 6.135 0.405 -9.605
101 HB2 GLU 17 1HB GLU 17 4.508 1.695 -7.427
102 HB3 GLU 17 2HB GLU 17 6.266 1.726 -7.401
103 HG2 GLU 17 1HG GLU 17 4.888 2.615 -9.875
104 HG3 GLU 17 2HG GLU 17 4.852 3.676 -8.468
105 H CYS 18 H CYS 18 4.046 -0.915 -7.075
106 HA CYS 18 HA CYS 18 6.287 -2.636 -6.235
107 HB2 CYS 18 1HB CYS 18 5.171 -2.678 -3.975
108 HB3 CYS 18 2HB CYS 18 5.860 -1.124 -4.433
109 H GLY 19 H GLY 19 2.797 -2.363 -6.702
110 HA2 GLY 19 1HA GLY 19 1.666 -4.197 -7.835
111 HA3 GLY 19 2HA GLY 19 2.704 -5.303 -6.947
112 H LYS 20 H LYS 20 1.588 -2.683 -5.096
113 HA LYS 20 HA LYS 20 0.226 -4.299 -3.255
114 HB2 LYS 20 1HB LYS 20 1.215 -1.893 -3.022
115 HB3 LYS 20 2HB LYS 20 -0.384 -1.377 -3.542
116 HG2 LYS 20 1HG LYS 20 -0.410 -1.324 -1.191
117 HG3 LYS 20 2HG LYS 20 -1.315 -2.767 -1.653
118 HD2 LYS 20 1HD LYS 20 0.082 -3.449 0.115
119 HD3 LYS 20 2HD LYS 20 0.867 -4.042 -1.350
120 HE2 LYS 20 1HE LYS 20 2.670 -3.105 -0.318
121 HE3 LYS 20 2HE LYS 20 2.086 -1.696 -1.203
122 HZ1 LYS 20 3HZ LYS 20 0.696 -1.480 1.056
123 HZ2 LYS 20 1HZ LYS 20 2.202 -0.749 0.817
124 HZ3 LYS 20 2HZ LYS 20 2.098 -2.216 1.651
125 H GLY 21 H GLY 21 -1.970 -4.576 -2.803
126 HA2 GLY 21 1HA GLY 21 -3.735 -4.066 -5.113
127 HA3 GLY 21 2HA GLY 21 -3.917 -5.409 -3.995
128 H TYR 22 H TYR 22 -5.425 -2.760 -4.891
129 HA TYR 22 HA TYR 22 -6.324 -2.104 -2.162
130 HB2 TYR 22 1HB TYR 22 -5.922 -0.325 -4.555
131 HB3 TYR 22 2HB TYR 22 -7.012 0.134 -3.252
132 HD1 TYR 22 HD2 TYR 22 -3.493 -0.605 -4.092
133 HD2 TYR 22 HD1 TYR 22 -6.175 0.939 -1.172
134 HE1 TYR 22 HE2 TYR 22 -1.586 0.290 -2.822
135 HE2 TYR 22 HE1 TYR 22 -4.276 1.839 0.105
136 HH TYR 22 HH TYR 22 -0.940 1.474 -1.061
137 H LYS 23 H LYS 23 -8.527 -1.849 -1.818
138 HA LYS 23 HA LYS 23 -10.235 -3.434 -3.421
139 HB2 LYS 23 1HB LYS 23 -10.701 -3.257 -1.083
140 HB3 LYS 23 2HB LYS 23 -10.782 -1.502 -1.169
141 HG2 LYS 23 1HG LYS 23 -13.000 -1.984 -1.115
142 HG3 LYS 23 2HG LYS 23 -12.739 -2.024 -2.860
143 HD2 LYS 23 1HD LYS 23 -12.336 -4.543 -1.334
144 HD3 LYS 23 2HD LYS 23 -13.992 -3.982 -1.578
145 HE2 LYS 23 1HE LYS 23 -12.007 -4.264 -3.823
146 HE3 LYS 23 2HE LYS 23 -13.080 -5.571 -3.323
147 HZ1 LYS 23 3HZ LYS 23 -14.839 -3.620 -3.610
148 HZ2 LYS 23 1HZ LYS 23 -14.392 -4.639 -4.884
149 HZ3 LYS 23 2HZ LYS 23 -13.693 -3.106 -4.744
150 H ARG 24 H ARG 24 -9.693 0.034 -3.180
151 HA ARG 24 HA ARG 24 -11.468 0.400 -5.504
152 HB2 ARG 24 1HB ARG 24 -11.739 2.780 -4.600
153 HB3 ARG 24 2HB ARG 24 -12.589 1.494 -3.755
154 HG2 ARG 24 1HG ARG 24 -10.869 1.455 -2.040
155 HG3 ARG 24 2HG ARG 24 -9.969 2.706 -2.900
156 HD2 ARG 24 1HD ARG 24 -11.161 3.798 -1.166
157 HD3 ARG 24 2HD ARG 24 -12.001 4.171 -2.670
158 HE ARG 24 HE ARG 24 -12.988 2.574 -0.468
159 HH11 ARG 24 1HH1 ARG 24 -13.356 3.486 -3.807
160 HH12 ARG 24 2HH1 ARG 24 -15.024 3.024 -3.885
161 HH21 ARG 24 1HH2 ARG 24 -15.184 1.962 -0.558
162 HH22 ARG 24 2HH2 ARG 24 -16.063 2.158 -2.036
163 H ARG 25 H ARG 25 -10.870 2.110 -6.973
164 HA ARG 25 HA ARG 25 -8.072 2.143 -7.508
165 HB2 ARG 25 1HB ARG 25 -9.946 2.215 -9.220
166 HB3 ARG 25 2HB ARG 25 -10.158 3.906 -8.786
167 HG2 ARG 25 1HG ARG 25 -7.894 4.401 -9.495
168 HG3 ARG 25 2HG ARG 25 -7.620 2.697 -9.863
169 HD2 ARG 25 1HD ARG 25 -8.132 3.539 -11.944
170 HD3 ARG 25 2HD ARG 25 -9.711 2.982 -11.393
171 HE ARG 25 HE ARG 25 -8.864 5.723 -11.784
172 HH11 ARG 25 1HH1 ARG 25 -11.209 3.558 -10.395
173 HH12 ARG 25 2HH1 ARG 25 -12.450 4.763 -10.286
174 HH21 ARG 25 1HH2 ARG 25 -10.489 7.318 -11.647
175 HH22 ARG 25 2HH2 ARG 25 -12.040 6.901 -11.000
176 H LEU 26 H LEU 26 -10.360 4.455 -6.163
177 HA LEU 26 HA LEU 26 -8.813 6.760 -6.214
178 HB2 LEU 26 1HB LEU 26 -11.258 6.358 -5.453
179 HB3 LEU 26 2HB LEU 26 -10.543 6.094 -3.864
180 HG LEU 26 HG LEU 26 -11.409 8.372 -4.129
181 HD11 LEU 26 1HD1 LEU 26 -9.746 9.268 -2.901
182 HD12 LEU 26 2HD1 LEU 26 -8.503 8.852 -4.080
183 HD13 LEU 26 3HD1 LEU 26 -9.101 7.627 -2.961
184 HD21 LEU 26 3HD2 LEU 26 -10.473 8.219 -6.687
185 HD22 LEU 26 1HD2 LEU 26 -9.262 9.244 -5.917
186 HD23 LEU 26 2HD2 LEU 26 -10.964 9.705 -5.873
187 H ASP 27 H ASP 27 -8.967 4.230 -3.725
188 HA ASP 27 HA ASP 27 -7.204 5.366 -1.890
189 HB2 ASP 27 1HB ASP 27 -8.010 2.545 -2.512
190 HB3 ASP 27 2HB ASP 27 -6.730 2.852 -1.341
191 H LEU 28 H LEU 28 -6.460 2.884 -4.345
192 HA LEU 28 HA LEU 28 -3.697 2.868 -3.976
193 HB2 LEU 28 1HB LEU 28 -4.620 1.104 -5.210
194 HB3 LEU 28 2HB LEU 28 -5.448 2.198 -6.316
195 HG LEU 28 HG LEU 28 -2.931 2.849 -6.913
196 HD11 LEU 28 1HD1 LEU 28 -1.633 0.693 -7.005
197 HD12 LEU 28 2HD1 LEU 28 -2.801 0.035 -5.859
198 HD13 LEU 28 3HD1 LEU 28 -1.803 1.416 -5.405
199 HD21 LEU 28 3HD2 LEU 28 -4.163 2.235 -8.722
200 HD22 LEU 28 1HD2 LEU 28 -4.797 0.787 -7.941
201 HD23 LEU 28 2HD2 LEU 28 -3.155 0.794 -8.585
202 H ASP 29 H ASP 29 -5.713 4.870 -6.073
203 HA ASP 29 HA ASP 29 -3.773 6.113 -7.599
204 HB2 ASP 29 1HB ASP 29 -6.490 6.861 -6.657
205 HB3 ASP 29 2HB ASP 29 -5.483 8.156 -7.297
206 H PHE 30 H PHE 30 -4.690 6.693 -4.269
207 HA PHE 30 HA PHE 30 -3.053 9.072 -4.061
208 HB2 PHE 30 1HB PHE 30 -5.274 8.420 -2.765
209 HB3 PHE 30 2HB PHE 30 -4.130 7.675 -1.654
210 HD1 PHE 30 HD1 PHE 30 -2.187 9.179 -0.833
211 HD2 PHE 30 HD2 PHE 30 -5.789 10.659 -2.551
212 HE1 PHE 30 HE1 PHE 30 -1.789 11.364 0.225
213 HE2 PHE 30 HE2 PHE 30 -5.397 12.847 -1.497
214 HZ PHE 30 HZ PHE 30 -3.394 13.202 -0.108
215 H HIS 31 H HIS 31 -2.649 5.704 -3.734
216 HA HIS 31 HA HIS 31 -0.528 5.733 -1.819
217 HB2 HIS 31 1HB HIS 31 -1.502 3.649 -1.896
218 HB3 HIS 31 2HB HIS 31 -1.742 3.707 -3.640
219 HD1 HIS 31 HD1 HIS 31 0.998 3.123 -1.097
220 HD2 HIS 31 HD2 HIS 31 0.183 2.436 -5.113
221 HE1 HIS 31 HE1 HIS 31 2.869 1.659 -1.922
222 H GLN 32 H GLN 32 -0.662 5.479 -5.359
223 HA GLN 32 HA GLN 32 1.978 5.112 -5.968
224 HB2 GLN 32 1HB GLN 32 -0.081 6.821 -7.362
225 HB3 GLN 32 2HB GLN 32 1.505 6.486 -8.044
226 HG2 GLN 32 1HG GLN 32 1.030 4.262 -8.407
227 HG3 GLN 32 2HG GLN 32 -0.243 4.227 -7.188
228 HE21 GLN 32 1HE2 GLN 32 -1.752 3.343 -8.569
229 HE22 GLN 32 2HE2 GLN 32 -2.463 4.232 -9.868
230 H ARG 33 H ARG 33 0.530 7.874 -4.521
231 HA ARG 33 HA ARG 33 2.133 9.976 -5.222
232 HB2 ARG 33 1HB ARG 33 1.169 9.309 -2.434
233 HB3 ARG 33 2HB ARG 33 1.725 10.889 -2.970
234 HG2 ARG 33 1HG ARG 33 -0.500 9.604 -4.461
235 HG3 ARG 33 2HG ARG 33 -0.834 10.283 -2.866
236 HD2 ARG 33 1HD ARG 33 -1.239 12.111 -4.186
237 HD3 ARG 33 2HD ARG 33 0.471 12.349 -3.830
238 HE ARG 33 HE ARG 33 0.535 10.927 -6.118
239 HH11 ARG 33 1HH1 ARG 33 -1.177 13.806 -5.172
240 HH12 ARG 33 2HH1 ARG 33 -1.204 14.473 -6.770
241 HH21 ARG 33 1HH2 ARG 33 0.507 11.794 -8.227
242 HH22 ARG 33 2HH2 ARG 33 -0.246 13.327 -8.508
243 H VAL 34 H VAL 34 2.845 7.468 -2.817
244 HA VAL 34 HA VAL 34 5.287 8.494 -1.909
245 HB VAL 34 HB VAL 34 5.734 6.357 -0.977
246 HG11 VAL 34 1HG1 VAL 34 3.056 5.757 -0.523
247 HG12 VAL 34 2HG1 VAL 34 4.083 6.820 0.441
248 HG13 VAL 34 3HG1 VAL 34 3.080 7.491 -0.846
249 HG21 VAL 34 3HG2 VAL 34 4.250 4.381 -1.676
250 HG22 VAL 34 1HG2 VAL 34 3.901 5.333 -3.120
251 HG23 VAL 34 2HG2 VAL 34 5.560 4.854 -2.759
252 H HIS 35 H HIS 35 4.502 6.468 -4.678
253 HA HIS 35 HA HIS 35 7.214 5.896 -5.366
254 HB2 HIS 35 1HB HIS 35 4.636 5.675 -6.926
255 HB3 HIS 35 2HB HIS 35 6.199 5.159 -7.555
256 HD1 HIS 35 HD1 HIS 35 7.442 3.396 -5.711
257 HD2 HIS 35 HD2 HIS 35 3.295 3.611 -5.838
258 HE1 HIS 35 HE1 HIS 35 6.626 1.259 -4.667
259 H THR 36 H THR 36 4.856 8.329 -6.325
260 HA THR 36 HA THR 36 6.438 9.429 -8.430
261 HB THR 36 HB THR 36 4.854 11.310 -8.389
262 HG1 THR 36 HG1 THR 36 4.603 10.883 -5.912
263 HG21 THR 36 3HG2 THR 36 4.291 8.659 -9.001
264 HG22 THR 36 1HG2 THR 36 3.380 10.074 -9.527
265 HG23 THR 36 2HG2 THR 36 2.891 9.199 -8.076
266 H GLY 37 H GLY 37 8.494 9.807 -7.532
267 HA2 GLY 37 1HA GLY 37 10.079 11.303 -6.760
268 HA3 GLY 37 2HA GLY 37 8.774 12.393 -6.314
269 H GLU 38 H GLU 38 10.214 9.292 -5.310
270 HA GLU 38 HA GLU 38 9.233 9.481 -2.644
271 HB2 GLU 38 1HB GLU 38 9.873 7.352 -3.823
272 HB3 GLU 38 2HB GLU 38 11.556 7.819 -3.626
273 HG2 GLU 38 1HG GLU 38 11.475 7.583 -1.306
274 HG3 GLU 38 2HG GLU 38 9.712 7.603 -1.277
275 H LYS 39 H LYS 39 12.129 10.543 -4.269
276 HA LYS 39 HA LYS 39 13.033 11.766 -1.749
277 HB2 LYS 39 1HB LYS 39 14.392 9.735 -2.588
278 HB3 LYS 39 2HB LYS 39 14.962 10.816 -3.852
279 HG2 LYS 39 1HG LYS 39 15.963 12.277 -2.254
280 HG3 LYS 39 2HG LYS 39 15.221 11.402 -0.913
281 HD2 LYS 39 1HD LYS 39 17.340 10.514 -0.885
282 HD3 LYS 39 2HD LYS 39 16.515 9.362 -1.938
283 HE2 LYS 39 1HE LYS 39 17.308 10.771 -3.881
284 HE3 LYS 39 2HE LYS 39 18.330 11.629 -2.729
285 HZ1 LYS 39 3HZ LYS 39 19.444 9.573 -2.202
286 HZ2 LYS 39 1HZ LYS 39 19.511 9.836 -3.872
287 HZ3 LYS 39 2HZ LYS 39 18.426 8.705 -3.237
288 H LEU 40 H LEU 40 14.165 13.757 -1.961
289 HA LEU 40 HA LEU 40 13.238 15.336 -4.197
290 HB2 LEU 40 1HB LEU 40 13.922 17.226 -2.971
291 HB3 LEU 40 2HB LEU 40 13.234 16.102 -1.801
292 HG LEU 40 HG LEU 40 15.797 15.425 -1.539
293 HD11 LEU 40 1HD1 LEU 40 16.212 18.333 -1.840
294 HD12 LEU 40 2HD1 LEU 40 16.146 17.387 -3.326
295 HD13 LEU 40 3HD1 LEU 40 17.331 16.992 -2.082
296 HD21 LEU 40 3HD2 LEU 40 14.806 17.930 -0.214
297 HD22 LEU 40 1HD2 LEU 40 15.807 16.642 0.458
298 HD23 LEU 40 2HD2 LEU 40 14.098 16.352 0.135
299 H SER 41 H SER 41 14.661 16.743 -5.428
300 HA SER 41 HA SER 41 17.071 15.331 -6.225
301 HB2 SER 41 1HB SER 41 17.064 16.732 -8.172
302 HB3 SER 41 2HB SER 41 15.397 16.234 -7.885
303 HG SER 41 HG SER 41 15.579 18.405 -6.547
304 H GLY 42 H GLY 42 18.983 15.792 -5.376
305 HA2 GLY 42 1HA GLY 42 20.005 18.422 -5.173
306 HA3 GLY 42 2HA GLY 42 19.493 17.867 -3.586
307 HA PRO 43 HA PRO 43 23.165 15.552 -2.988
308 HB2 PRO 43 1HB PRO 43 22.348 13.082 -2.215
309 HB3 PRO 43 2HB PRO 43 22.194 14.510 -1.185
310 HG2 PRO 43 1HG PRO 43 20.132 13.179 -2.900
311 HG3 PRO 43 2HG PRO 43 19.975 13.817 -1.253
312 HD2 PRO 43 1HD PRO 43 19.108 15.174 -3.430
313 HD3 PRO 43 2HD PRO 43 19.735 15.990 -1.983
314 H SER 44 H SER 44 20.802 13.618 -4.816
315 HA SER 44 HA SER 44 22.591 13.192 -6.980
316 HB2 SER 44 1HB SER 44 22.921 10.779 -6.753
317 HB3 SER 44 2HB SER 44 23.602 11.620 -5.360
318 HG SER 44 HG SER 44 21.057 10.361 -5.451
319 H SER 45 H SER 45 21.613 12.074 -8.736
320 HA SER 45 HA SER 45 18.909 11.093 -8.465
321 HB2 SER 45 1HB SER 45 19.524 13.670 -9.910
322 HB3 SER 45 2HB SER 45 18.088 12.711 -10.264
323 HG SER 45 HG SER 45 18.755 13.616 -7.663
324 H GLY 46 H GLY 46 18.599 9.475 -9.856
325 HA2 GLY 46 1HA GLY 46 18.832 9.064 -12.402
326 HA3 GLY 46 2HA GLY 46 20.548 9.154 -12.034
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 11.541 -16.673 9.266
2 HA2 GLY 1 1HA GLY 1 8.793 -17.355 8.554
3 HA3 GLY 1 2HA GLY 1 9.019 -16.460 10.050
4 H SER 2 H SER 2 9.980 -16.333 6.622
5 HA SER 2 HA SER 2 10.811 -13.786 6.337
6 HB2 SER 2 1HB SER 2 8.998 -15.385 4.531
7 HB3 SER 2 2HB SER 2 9.634 -13.807 4.065
8 HG SER 2 HG SER 2 10.963 -16.241 4.405
9 H SER 3 H SER 3 10.043 -11.981 7.206
10 HA SER 3 HA SER 3 7.185 -11.634 7.612
11 HB2 SER 3 1HB SER 3 9.127 -11.004 9.262
12 HB3 SER 3 2HB SER 3 9.219 -9.536 8.289
13 HG SER 3 HG SER 3 7.473 -10.151 10.211
14 H GLY 4 H GLY 4 5.894 -10.263 6.506
15 HA2 GLY 4 1HA GLY 4 6.546 -7.971 5.141
16 HA3 GLY 4 2HA GLY 4 6.815 -9.268 3.986
17 H SER 5 H SER 5 5.168 -8.751 2.595
18 HA SER 5 HA SER 5 2.444 -8.678 3.685
19 HB2 SER 5 1HB SER 5 3.161 -6.796 2.223
20 HB3 SER 5 2HB SER 5 3.396 -7.945 0.906
21 HG SER 5 HG SER 5 1.138 -8.480 1.163
22 H SER 6 H SER 6 1.310 -10.489 3.628
23 HA SER 6 HA SER 6 1.925 -12.477 1.543
24 HB2 SER 6 1HB SER 6 1.344 -14.202 3.041
25 HB3 SER 6 2HB SER 6 2.258 -13.064 4.030
26 HG SER 6 HG SER 6 0.519 -12.638 5.150
27 H GLY 7 H GLY 7 0.214 -13.556 0.502
28 HA2 GLY 7 1HA GLY 7 -1.899 -12.075 -0.391
29 HA3 GLY 7 2HA GLY 7 -1.913 -13.832 -0.343
30 H SER 8 H SER 8 -3.275 -10.983 0.884
31 HA SER 8 HA SER 8 -4.567 -12.429 3.094
32 HB2 SER 8 1HB SER 8 -5.224 -10.143 3.890
33 HB3 SER 8 2HB SER 8 -3.481 -10.407 3.836
34 HG SER 8 HG SER 8 -3.361 -9.188 1.990
35 H GLY 9 H GLY 9 -5.275 -10.220 0.399
36 HA2 GLY 9 1HA GLY 9 -7.868 -11.531 0.077
37 HA3 GLY 9 2HA GLY 9 -7.881 -9.801 0.386
38 H GLU 10 H GLU 10 -9.059 -10.544 -1.865
39 HA GLU 10 HA GLU 10 -7.079 -10.168 -4.006
40 HB2 GLU 10 1HB GLU 10 -8.779 -11.035 -5.533
41 HB3 GLU 10 2HB GLU 10 -8.475 -12.171 -4.226
42 HG2 GLU 10 1HG GLU 10 -10.497 -11.271 -3.075
43 HG3 GLU 10 2HG GLU 10 -10.830 -10.328 -4.527
44 H LYS 11 H LYS 11 -7.046 -8.342 -5.156
45 HA LYS 11 HA LYS 11 -9.358 -6.530 -4.989
46 HB2 LYS 11 1HB LYS 11 -6.448 -5.881 -4.567
47 HB3 LYS 11 2HB LYS 11 -7.613 -4.648 -5.028
48 HG2 LYS 11 1HG LYS 11 -7.549 -4.444 -2.734
49 HG3 LYS 11 2HG LYS 11 -8.951 -5.487 -2.980
50 HD2 LYS 11 1HD LYS 11 -7.866 -6.642 -1.322
51 HD3 LYS 11 2HD LYS 11 -7.155 -7.398 -2.750
52 HE2 LYS 11 1HE LYS 11 -5.309 -6.937 -1.412
53 HE3 LYS 11 2HE LYS 11 -5.341 -5.582 -2.540
54 HZ1 LYS 11 3HZ LYS 11 -6.832 -4.601 -0.582
55 HZ2 LYS 11 1HZ LYS 11 -5.151 -4.413 -0.639
56 HZ3 LYS 11 2HZ LYS 11 -5.835 -5.623 0.325
57 HA PRO 12 HA PRO 12 -9.049 -6.425 -9.382
58 HB2 PRO 12 1HB PRO 12 -10.428 -4.132 -9.841
59 HB3 PRO 12 2HB PRO 12 -11.209 -5.643 -9.362
60 HG2 PRO 12 1HG PRO 12 -10.476 -3.276 -7.683
61 HG3 PRO 12 2HG PRO 12 -11.962 -4.243 -7.665
62 HD2 PRO 12 1HD PRO 12 -9.985 -4.577 -5.846
63 HD3 PRO 12 2HD PRO 12 -11.007 -5.918 -6.403
64 H TYR 13 H TYR 13 -8.380 -3.397 -7.639
65 HA TYR 13 HA TYR 13 -6.608 -2.527 -9.790
66 HB2 TYR 13 1HB TYR 13 -7.201 -1.012 -7.254
67 HB3 TYR 13 2HB TYR 13 -6.647 -0.377 -8.799
68 HD1 TYR 13 HD1 TYR 13 -8.220 -0.226 -10.709
69 HD2 TYR 13 HD2 TYR 13 -9.522 -1.374 -6.824
70 HE1 TYR 13 HE1 TYR 13 -10.547 0.237 -11.358
71 HE2 TYR 13 HE2 TYR 13 -11.853 -0.915 -7.463
72 HH TYR 13 HH TYR 13 -12.780 -0.310 -10.724
73 H LYS 14 H LYS 14 -4.428 -2.344 -9.608
74 HA LYS 14 HA LYS 14 -3.154 -2.853 -7.031
75 HB2 LYS 14 1HB LYS 14 -2.532 -4.463 -9.515
76 HB3 LYS 14 2HB LYS 14 -1.667 -4.560 -7.987
77 HG2 LYS 14 1HG LYS 14 -3.047 -6.342 -7.740
78 HG3 LYS 14 2HG LYS 14 -4.091 -5.088 -7.067
79 HD2 LYS 14 1HD LYS 14 -5.470 -6.277 -8.546
80 HD3 LYS 14 2HD LYS 14 -5.007 -4.826 -9.439
81 HE2 LYS 14 1HE LYS 14 -4.701 -6.509 -11.003
82 HE3 LYS 14 2HE LYS 14 -3.079 -6.290 -10.349
83 HZ1 LYS 14 3HZ LYS 14 -4.938 -8.333 -9.286
84 HZ2 LYS 14 1HZ LYS 14 -3.262 -8.231 -9.077
85 HZ3 LYS 14 2HZ LYS 14 -3.902 -8.652 -10.585
86 H CYS 15 H CYS 15 -1.043 -2.060 -6.865
87 HA CYS 15 HA CYS 15 -0.458 0.176 -8.523
88 HB2 CYS 15 1HB CYS 15 0.120 -0.042 -6.077
89 HB3 CYS 15 2HB CYS 15 1.399 -1.157 -6.547
90 H VAL 16 H VAL 16 1.567 0.514 -9.688
91 HA VAL 16 HA VAL 16 2.369 -1.925 -11.120
92 HB VAL 16 HB VAL 16 1.455 -0.283 -12.607
93 HG11 VAL 16 1HG1 VAL 16 1.572 1.889 -12.172
94 HG12 VAL 16 2HG1 VAL 16 2.676 1.566 -10.833
95 HG13 VAL 16 3HG1 VAL 16 3.313 1.859 -12.452
96 HG21 VAL 16 3HG2 VAL 16 3.216 -0.078 -14.178
97 HG22 VAL 16 1HG2 VAL 16 4.442 -0.071 -12.910
98 HG23 VAL 16 2HG2 VAL 16 3.544 -1.548 -13.261
99 H GLU 17 H GLU 17 3.499 0.515 -8.996
100 HA GLU 17 HA GLU 17 6.286 0.251 -9.661
101 HB2 GLU 17 1HB GLU 17 4.816 1.605 -7.405
102 HB3 GLU 17 2HB GLU 17 6.571 1.548 -7.482
103 HG2 GLU 17 1HG GLU 17 5.235 3.593 -8.423
104 HG3 GLU 17 2HG GLU 17 6.687 3.003 -9.228
105 H CYS 18 H CYS 18 4.273 -0.706 -6.882
106 HA CYS 18 HA CYS 18 6.369 -2.621 -6.112
107 HB2 CYS 18 1HB CYS 18 5.284 -2.649 -3.897
108 HB3 CYS 18 2HB CYS 18 5.784 -1.026 -4.361
109 H GLY 19 H GLY 19 2.916 -2.293 -6.764
110 HA2 GLY 19 1HA GLY 19 1.750 -4.049 -7.928
111 HA3 GLY 19 2HA GLY 19 2.806 -5.212 -7.141
112 H LYS 20 H LYS 20 1.540 -2.640 -5.229
113 HA LYS 20 HA LYS 20 0.347 -4.346 -3.358
114 HB2 LYS 20 1HB LYS 20 0.309 -1.411 -3.870
115 HB3 LYS 20 2HB LYS 20 -0.906 -2.068 -2.781
116 HG2 LYS 20 1HG LYS 20 2.047 -2.536 -2.455
117 HG3 LYS 20 2HG LYS 20 1.166 -1.221 -1.675
118 HD2 LYS 20 1HD LYS 20 0.064 -2.626 -0.245
119 HD3 LYS 20 2HD LYS 20 0.109 -3.984 -1.371
120 HE2 LYS 20 1HE LYS 20 2.300 -4.536 -0.805
121 HE3 LYS 20 2HE LYS 20 2.625 -2.944 -0.121
122 HZ1 LYS 20 3HZ LYS 20 2.350 -4.152 1.771
123 HZ2 LYS 20 1HZ LYS 20 1.252 -5.235 1.075
124 HZ3 LYS 20 2HZ LYS 20 0.742 -3.686 1.524
125 H GLY 21 H GLY 21 -2.099 -3.714 -2.686
126 HA2 GLY 21 1HA GLY 21 -3.795 -3.862 -5.081
127 HA3 GLY 21 2HA GLY 21 -3.917 -5.134 -3.875
128 H TYR 22 H TYR 22 -5.587 -2.678 -4.932
129 HA TYR 22 HA TYR 22 -6.633 -2.017 -2.271
130 HB2 TYR 22 1HB TYR 22 -5.985 -0.058 -4.476
131 HB3 TYR 22 2HB TYR 22 -7.038 0.333 -3.121
132 HD1 TYR 22 HD2 TYR 22 -3.581 -0.590 -4.051
133 HD2 TYR 22 HD1 TYR 22 -6.143 0.886 -0.992
134 HE1 TYR 22 HE2 TYR 22 -1.614 0.028 -2.710
135 HE2 TYR 22 HE1 TYR 22 -4.184 1.510 0.357
136 HH TYR 22 HH TYR 22 -0.944 1.349 -0.926
137 H LYS 23 H LYS 23 -8.739 -2.393 -2.134
138 HA LYS 23 HA LYS 23 -10.270 -3.351 -4.282
139 HB2 LYS 23 1HB LYS 23 -11.018 -2.337 -1.545
140 HB3 LYS 23 2HB LYS 23 -12.223 -2.934 -2.679
141 HG2 LYS 23 1HG LYS 23 -10.926 -5.079 -2.777
142 HG3 LYS 23 2HG LYS 23 -9.946 -4.461 -1.445
143 HD2 LYS 23 1HD LYS 23 -11.592 -5.765 -0.405
144 HD3 LYS 23 2HD LYS 23 -12.165 -4.106 -0.219
145 HE2 LYS 23 1HE LYS 23 -13.655 -4.396 -2.125
146 HE3 LYS 23 2HE LYS 23 -13.057 -6.038 -2.358
147 HZ1 LYS 23 3HZ LYS 23 -15.138 -6.081 -1.182
148 HZ2 LYS 23 1HZ LYS 23 -14.547 -5.029 0.004
149 HZ3 LYS 23 2HZ LYS 23 -13.907 -6.588 -0.139
150 H ARG 24 H ARG 24 -9.793 -0.136 -3.013
151 HA ARG 24 HA ARG 24 -11.741 0.904 -4.963
152 HB2 ARG 24 1HB ARG 24 -12.390 1.565 -2.764
153 HB3 ARG 24 2HB ARG 24 -10.749 2.042 -2.353
154 HG2 ARG 24 1HG ARG 24 -11.654 4.089 -2.737
155 HG3 ARG 24 2HG ARG 24 -11.102 3.707 -4.370
156 HD2 ARG 24 1HD ARG 24 -13.309 2.990 -5.003
157 HD3 ARG 24 2HD ARG 24 -13.885 3.165 -3.346
158 HE ARG 24 HE ARG 24 -12.840 5.577 -4.556
159 HH11 ARG 24 1HH1 ARG 24 -15.642 3.615 -3.908
160 HH12 ARG 24 2HH1 ARG 24 -16.763 4.921 -4.101
161 HH21 ARG 24 1HH2 ARG 24 -14.307 7.305 -4.812
162 HH22 ARG 24 2HH2 ARG 24 -16.003 7.020 -4.616
163 H ARG 25 H ARG 25 -10.650 1.364 -6.777
164 HA ARG 25 HA ARG 25 -8.043 1.850 -7.236
165 HB2 ARG 25 1HB ARG 25 -9.932 1.812 -8.926
166 HB3 ARG 25 2HB ARG 25 -10.187 3.512 -8.556
167 HG2 ARG 25 1HG ARG 25 -7.816 3.931 -9.216
168 HG3 ARG 25 2HG ARG 25 -7.736 2.254 -9.760
169 HD2 ARG 25 1HD ARG 25 -9.969 3.950 -10.748
170 HD3 ARG 25 2HD ARG 25 -8.358 4.230 -11.407
171 HE ARG 25 HE ARG 25 -9.100 1.467 -11.439
172 HH11 ARG 25 1HH1 ARG 25 -9.408 4.499 -13.122
173 HH12 ARG 25 2HH1 ARG 25 -9.696 3.763 -14.664
174 HH21 ARG 25 1HH2 ARG 25 -9.479 0.486 -13.464
175 HH22 ARG 25 2HH2 ARG 25 -9.737 1.481 -14.857
176 H LEU 26 H LEU 26 -10.376 4.222 -6.047
177 HA LEU 26 HA LEU 26 -8.867 6.531 -6.189
178 HB2 LEU 26 1HB LEU 26 -11.223 6.452 -5.521
179 HB3 LEU 26 2HB LEU 26 -10.760 5.712 -3.990
180 HG LEU 26 HG LEU 26 -11.311 8.098 -3.765
181 HD11 LEU 26 1HD1 LEU 26 -9.734 8.438 -2.183
182 HD12 LEU 26 2HD1 LEU 26 -8.399 8.060 -3.271
183 HD13 LEU 26 3HD1 LEU 26 -9.341 6.757 -2.546
184 HD21 LEU 26 3HD2 LEU 26 -8.917 9.207 -4.871
185 HD22 LEU 26 1HD2 LEU 26 -10.598 9.616 -5.217
186 HD23 LEU 26 2HD2 LEU 26 -9.798 8.334 -6.127
187 H ASP 27 H ASP 27 -8.906 4.081 -3.626
188 HA ASP 27 HA ASP 27 -7.141 5.355 -1.864
189 HB2 ASP 27 1HB ASP 27 -7.943 2.500 -2.306
190 HB3 ASP 27 2HB ASP 27 -6.643 2.878 -1.179
191 H LEU 28 H LEU 28 -6.512 3.026 -4.469
192 HA LEU 28 HA LEU 28 -3.735 2.832 -4.082
193 HB2 LEU 28 1HB LEU 28 -4.713 1.173 -5.404
194 HB3 LEU 28 2HB LEU 28 -5.542 2.348 -6.423
195 HG LEU 28 HG LEU 28 -3.021 2.975 -7.041
196 HD11 LEU 28 1HD1 LEU 28 -2.154 1.233 -5.474
197 HD12 LEU 28 2HD1 LEU 28 -1.601 1.062 -7.140
198 HD13 LEU 28 3HD1 LEU 28 -2.876 0.012 -6.522
199 HD21 LEU 28 3HD2 LEU 28 -4.975 1.044 -8.151
200 HD22 LEU 28 1HD2 LEU 28 -3.348 1.033 -8.830
201 HD23 LEU 28 2HD2 LEU 28 -4.304 2.515 -8.857
202 H ASP 29 H ASP 29 -5.635 4.882 -6.279
203 HA ASP 29 HA ASP 29 -3.643 6.171 -7.643
204 HB2 ASP 29 1HB ASP 29 -6.188 6.464 -7.826
205 HB3 ASP 29 2HB ASP 29 -6.017 7.675 -6.558
206 H PHE 30 H PHE 30 -4.713 6.740 -4.344
207 HA PHE 30 HA PHE 30 -3.064 9.074 -3.997
208 HB2 PHE 30 1HB PHE 30 -5.277 8.364 -2.752
209 HB3 PHE 30 2HB PHE 30 -4.158 7.520 -1.688
210 HD1 PHE 30 HD1 PHE 30 -2.176 8.946 -0.776
211 HD2 PHE 30 HD2 PHE 30 -5.788 10.570 -2.335
212 HE1 PHE 30 HE1 PHE 30 -1.759 11.040 0.448
213 HE2 PHE 30 HE2 PHE 30 -5.377 12.666 -1.115
214 HZ PHE 30 HZ PHE 30 -3.360 12.904 0.278
215 H HIS 31 H HIS 31 -2.669 5.673 -3.701
216 HA HIS 31 HA HIS 31 -0.501 5.705 -1.842
217 HB2 HIS 31 1HB HIS 31 -1.475 3.623 -1.877
218 HB3 HIS 31 2HB HIS 31 -1.775 3.674 -3.612
219 HD1 HIS 31 HD1 HIS 31 1.047 3.088 -1.162
220 HD2 HIS 31 HD2 HIS 31 0.093 2.388 -5.144
221 HE1 HIS 31 HE1 HIS 31 2.882 1.611 -2.043
222 H GLN 32 H GLN 32 -0.719 5.434 -5.376
223 HA GLN 32 HA GLN 32 1.902 5.045 -6.046
224 HB2 GLN 32 1HB GLN 32 -0.226 6.703 -7.382
225 HB3 GLN 32 2HB GLN 32 1.366 6.491 -8.096
226 HG2 GLN 32 1HG GLN 32 1.041 4.226 -8.467
227 HG3 GLN 32 2HG GLN 32 -0.265 4.122 -7.287
228 HE21 GLN 32 1HE2 GLN 32 -1.753 3.236 -8.657
229 HE22 GLN 32 2HE2 GLN 32 -2.440 4.089 -9.993
230 H ARG 33 H ARG 33 0.520 7.812 -4.555
231 HA ARG 33 HA ARG 33 2.183 9.875 -5.324
232 HB2 ARG 33 1HB ARG 33 0.846 9.244 -2.705
233 HB3 ARG 33 2HB ARG 33 1.835 10.686 -2.896
234 HG2 ARG 33 1HG ARG 33 0.354 11.237 -4.893
235 HG3 ARG 33 2HG ARG 33 -0.728 9.983 -4.283
236 HD2 ARG 33 1HD ARG 33 -1.591 11.884 -3.296
237 HD3 ARG 33 2HD ARG 33 -0.523 11.269 -2.036
238 HE ARG 33 HE ARG 33 0.783 13.131 -2.283
239 HH11 ARG 33 1HH1 ARG 33 -1.331 12.845 -5.035
240 HH12 ARG 33 2HH1 ARG 33 -0.907 14.394 -5.686
241 HH21 ARG 33 1HH2 ARG 33 1.350 15.172 -3.131
242 HH22 ARG 33 2HH2 ARG 33 0.619 15.716 -4.603
243 H VAL 34 H VAL 34 2.761 7.358 -2.907
244 HA VAL 34 HA VAL 34 5.198 8.368 -1.918
245 HB VAL 34 HB VAL 34 5.586 6.169 -0.991
246 HG11 VAL 34 1HG1 VAL 34 2.810 7.265 -0.883
247 HG12 VAL 34 2HG1 VAL 34 3.201 5.780 -0.014
248 HG13 VAL 34 3HG1 VAL 34 4.069 7.272 0.352
249 HG21 VAL 34 3HG2 VAL 34 3.183 4.954 -2.201
250 HG22 VAL 34 1HG2 VAL 34 4.574 5.158 -3.266
251 HG23 VAL 34 2HG2 VAL 34 4.733 4.227 -1.776
252 H HIS 35 H HIS 35 4.396 6.740 -4.842
253 HA HIS 35 HA HIS 35 7.134 5.920 -5.375
254 HB2 HIS 35 1HB HIS 35 4.564 5.656 -6.935
255 HB3 HIS 35 2HB HIS 35 6.127 5.173 -7.586
256 HD1 HIS 35 HD1 HIS 35 7.434 3.476 -5.688
257 HD2 HIS 35 HD2 HIS 35 3.285 3.531 -5.893
258 HE1 HIS 35 HE1 HIS 35 6.681 1.316 -4.644
259 H THR 36 H THR 36 4.860 8.411 -6.320
260 HA THR 36 HA THR 36 6.536 9.439 -8.428
261 HB THR 36 HB THR 36 4.900 11.328 -8.475
262 HG1 THR 36 HG1 THR 36 3.030 11.090 -7.150
263 HG21 THR 36 3HG2 THR 36 3.669 8.570 -8.529
264 HG22 THR 36 1HG2 THR 36 4.568 9.317 -9.849
265 HG23 THR 36 2HG2 THR 36 3.032 10.007 -9.327
266 H GLY 37 H GLY 37 8.255 9.388 -6.477
267 HA2 GLY 37 1HA GLY 37 8.998 12.092 -6.084
268 HA3 GLY 37 2HA GLY 37 8.329 11.439 -4.595
269 H GLU 38 H GLU 38 11.083 11.709 -6.546
270 HA GLU 38 HA GLU 38 13.234 11.010 -6.303
271 HB2 GLU 38 1HB GLU 38 12.719 11.687 -3.907
272 HB3 GLU 38 2HB GLU 38 12.440 9.982 -3.581
273 HG2 GLU 38 1HG GLU 38 14.637 10.365 -2.909
274 HG3 GLU 38 2HG GLU 38 14.782 9.586 -4.483
275 H LYS 39 H LYS 39 11.874 9.360 -7.829
276 HA LYS 39 HA LYS 39 12.427 6.643 -6.842
277 HB2 LYS 39 1HB LYS 39 10.067 7.392 -7.661
278 HB3 LYS 39 2HB LYS 39 10.761 7.228 -9.268
279 HG2 LYS 39 1HG LYS 39 9.845 5.156 -8.991
280 HG3 LYS 39 2HG LYS 39 11.476 4.868 -8.379
281 HD2 LYS 39 1HD LYS 39 9.365 5.771 -6.478
282 HD3 LYS 39 2HD LYS 39 9.358 4.092 -7.022
283 HE2 LYS 39 1HE LYS 39 11.858 4.115 -6.380
284 HE3 LYS 39 2HE LYS 39 11.454 5.567 -5.465
285 HZ1 LYS 39 3HZ LYS 39 11.340 3.559 -4.105
286 HZ2 LYS 39 1HZ LYS 39 10.155 2.917 -5.127
287 HZ3 LYS 39 2HZ LYS 39 9.827 4.308 -4.222
288 H LEU 40 H LEU 40 13.966 5.458 -7.788
289 HA LEU 40 HA LEU 40 15.815 6.558 -9.564
290 HB2 LEU 40 1HB LEU 40 16.849 4.449 -9.614
291 HB3 LEU 40 2HB LEU 40 16.129 4.595 -8.012
292 HG LEU 40 HG LEU 40 14.638 3.166 -10.173
293 HD11 LEU 40 1HD1 LEU 40 17.089 2.367 -9.960
294 HD12 LEU 40 2HD1 LEU 40 15.789 1.176 -9.907
295 HD13 LEU 40 3HD1 LEU 40 16.563 1.703 -8.412
296 HD21 LEU 40 3HD2 LEU 40 13.362 3.426 -8.240
297 HD22 LEU 40 1HD2 LEU 40 14.739 3.141 -7.176
298 HD23 LEU 40 2HD2 LEU 40 14.032 1.802 -8.080
299 H SER 41 H SER 41 12.946 4.616 -10.145
300 HA SER 41 HA SER 41 13.493 4.604 -13.022
301 HB2 SER 41 1HB SER 41 12.847 2.456 -12.097
302 HB3 SER 41 2HB SER 41 11.396 3.161 -11.383
303 HG SER 41 HG SER 41 10.641 2.354 -13.229
304 H GLY 42 H GLY 42 11.805 5.220 -14.525
305 HA2 GLY 42 1HA GLY 42 9.402 6.329 -14.209
306 HA3 GLY 42 2HA GLY 42 10.434 7.620 -13.611
307 HA PRO 43 HA PRO 43 10.213 7.283 -18.430
308 HB2 PRO 43 1HB PRO 43 7.893 8.571 -19.001
309 HB3 PRO 43 2HB PRO 43 7.994 6.818 -18.800
310 HG2 PRO 43 1HG PRO 43 7.096 8.900 -16.845
311 HG3 PRO 43 2HG PRO 43 6.381 7.317 -17.200
312 HD2 PRO 43 1HD PRO 43 7.956 7.751 -15.041
313 HD3 PRO 43 2HD PRO 43 7.906 6.192 -15.888
314 H SER 44 H SER 44 10.288 9.463 -15.962
315 HA SER 44 HA SER 44 9.935 11.982 -16.748
316 HB2 SER 44 1HB SER 44 11.912 12.652 -15.475
317 HB3 SER 44 2HB SER 44 11.071 11.343 -14.644
318 HG SER 44 HG SER 44 12.678 10.011 -15.998
319 H SER 45 H SER 45 10.498 13.299 -18.356
320 HA SER 45 HA SER 45 12.941 12.778 -19.875
321 HB2 SER 45 1HB SER 45 11.670 13.101 -22.020
322 HB3 SER 45 2HB SER 45 11.286 11.605 -21.171
323 HG SER 45 HG SER 45 9.768 13.976 -20.870
324 H GLY 46 H GLY 46 13.305 14.603 -21.513
325 HA2 GLY 46 1HA GLY 46 13.887 16.833 -21.660
326 HA3 GLY 46 2HA GLY 46 12.149 17.059 -21.538
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -8.246 -24.785 8.468
2 HA2 GLY 1 1HA GLY 1 -7.412 -25.034 6.327
3 HA3 GLY 1 2HA GLY 1 -7.157 -23.297 6.267
4 H SER 2 H SER 2 -5.254 -24.615 5.084
5 HA SER 2 HA SER 2 -3.055 -24.762 7.042
6 HB2 SER 2 1HB SER 2 -3.556 -26.964 6.045
7 HB3 SER 2 2HB SER 2 -3.305 -26.287 4.437
8 HG SER 2 HG SER 2 -1.235 -26.486 4.709
9 H SER 3 H SER 3 -3.817 -22.340 5.928
10 HA SER 3 HA SER 3 -1.566 -21.794 4.107
11 HB2 SER 3 1HB SER 3 -4.362 -20.654 4.062
12 HB3 SER 3 2HB SER 3 -3.013 -19.901 3.211
13 HG SER 3 HG SER 3 -4.527 -21.929 2.415
14 H GLY 4 H GLY 4 -0.161 -20.299 4.779
15 HA2 GLY 4 1HA GLY 4 -1.036 -18.348 6.802
16 HA3 GLY 4 2HA GLY 4 0.392 -19.327 7.104
17 H SER 5 H SER 5 0.352 -16.495 7.024
18 HA SER 5 HA SER 5 1.246 -14.667 5.946
19 HB2 SER 5 1HB SER 5 3.590 -14.879 5.662
20 HB3 SER 5 2HB SER 5 3.170 -16.050 6.911
21 HG SER 5 HG SER 5 4.586 -16.801 5.154
22 H SER 6 H SER 6 -0.587 -15.902 4.264
23 HA SER 6 HA SER 6 0.682 -15.495 1.637
24 HB2 SER 6 1HB SER 6 -0.922 -17.171 0.714
25 HB3 SER 6 2HB SER 6 0.222 -17.865 1.863
26 HG SER 6 HG SER 6 -2.510 -17.613 2.027
27 H GLY 7 H GLY 7 -0.542 -14.429 0.071
28 HA2 GLY 7 1HA GLY 7 -2.177 -12.358 0.891
29 HA3 GLY 7 2HA GLY 7 -2.136 -12.992 -0.748
30 H SER 8 H SER 8 -4.426 -11.931 0.585
31 HA SER 8 HA SER 8 -6.130 -14.329 0.561
32 HB2 SER 8 1HB SER 8 -5.908 -13.653 2.885
33 HB3 SER 8 2HB SER 8 -6.331 -11.991 2.475
34 HG SER 8 HG SER 8 -8.370 -12.961 1.675
35 H GLY 9 H GLY 9 -7.610 -14.217 -0.985
36 HA2 GLY 9 1HA GLY 9 -9.156 -13.378 -2.464
37 HA3 GLY 9 2HA GLY 9 -9.255 -11.959 -1.433
38 H GLU 10 H GLU 10 -9.317 -12.081 -4.330
39 HA GLU 10 HA GLU 10 -6.781 -10.791 -5.049
40 HB2 GLU 10 1HB GLU 10 -7.592 -11.047 -7.396
41 HB3 GLU 10 2HB GLU 10 -7.379 -12.570 -6.543
42 HG2 GLU 10 1HG GLU 10 -9.783 -12.682 -6.135
43 HG3 GLU 10 2HG GLU 10 -9.998 -11.157 -6.992
44 H LYS 11 H LYS 11 -6.656 -8.673 -5.465
45 HA LYS 11 HA LYS 11 -9.082 -7.077 -5.173
46 HB2 LYS 11 1HB LYS 11 -6.172 -6.262 -5.265
47 HB3 LYS 11 2HB LYS 11 -7.517 -5.162 -4.998
48 HG2 LYS 11 1HG LYS 11 -7.057 -7.516 -3.204
49 HG3 LYS 11 2HG LYS 11 -6.201 -5.991 -2.966
50 HD2 LYS 11 1HD LYS 11 -8.386 -4.832 -2.851
51 HD3 LYS 11 2HD LYS 11 -9.192 -6.396 -2.981
52 HE2 LYS 11 1HE LYS 11 -7.931 -7.101 -0.926
53 HE3 LYS 11 2HE LYS 11 -7.397 -5.429 -0.763
54 HZ1 LYS 11 3HZ LYS 11 -9.249 -5.194 0.438
55 HZ2 LYS 11 1HZ LYS 11 -9.957 -6.607 -0.166
56 HZ3 LYS 11 2HZ LYS 11 -10.063 -5.165 -1.044
57 HA PRO 12 HA PRO 12 -9.476 -6.133 -9.447
58 HB2 PRO 12 1HB PRO 12 -10.610 -3.671 -9.293
59 HB3 PRO 12 2HB PRO 12 -11.485 -5.157 -8.907
60 HG2 PRO 12 1HG PRO 12 -10.184 -3.192 -7.061
61 HG3 PRO 12 2HG PRO 12 -11.757 -3.997 -6.910
62 HD2 PRO 12 1HD PRO 12 -9.560 -4.827 -5.563
63 HD3 PRO 12 2HD PRO 12 -10.823 -5.947 -6.112
64 H TYR 13 H TYR 13 -8.354 -3.323 -7.550
65 HA TYR 13 HA TYR 13 -6.681 -2.501 -9.802
66 HB2 TYR 13 1HB TYR 13 -7.043 -1.003 -7.213
67 HB3 TYR 13 2HB TYR 13 -6.526 -0.373 -8.772
68 HD1 TYR 13 HD1 TYR 13 -8.218 -0.285 -10.658
69 HD2 TYR 13 HD2 TYR 13 -9.318 -1.027 -6.615
70 HE1 TYR 13 HE1 TYR 13 -10.539 0.335 -11.182
71 HE2 TYR 13 HE2 TYR 13 -11.643 -0.410 -7.129
72 HH TYR 13 HH TYR 13 -12.991 -0.413 -9.840
73 H LYS 14 H LYS 14 -4.484 -2.435 -9.739
74 HA LYS 14 HA LYS 14 -3.129 -3.179 -7.250
75 HB2 LYS 14 1HB LYS 14 -2.713 -4.531 -9.921
76 HB3 LYS 14 2HB LYS 14 -1.673 -4.753 -8.520
77 HG2 LYS 14 1HG LYS 14 -3.016 -6.568 -8.285
78 HG3 LYS 14 2HG LYS 14 -3.960 -5.393 -7.366
79 HD2 LYS 14 1HD LYS 14 -5.610 -6.222 -8.705
80 HD3 LYS 14 2HD LYS 14 -5.015 -4.934 -9.756
81 HE2 LYS 14 1HE LYS 14 -5.089 -6.732 -11.201
82 HE3 LYS 14 2HE LYS 14 -3.413 -6.774 -10.656
83 HZ1 LYS 14 3HZ LYS 14 -5.173 -8.287 -8.974
84 HZ2 LYS 14 1HZ LYS 14 -3.714 -8.745 -9.698
85 HZ3 LYS 14 2HZ LYS 14 -5.160 -8.850 -10.569
86 H CYS 15 H CYS 15 -1.221 -2.159 -6.921
87 HA CYS 15 HA CYS 15 -0.575 0.095 -8.501
88 HB2 CYS 15 1HB CYS 15 -0.117 -0.170 -6.039
89 HB3 CYS 15 2HB CYS 15 1.204 -1.254 -6.464
90 H VAL 16 H VAL 16 1.403 0.520 -9.644
91 HA VAL 16 HA VAL 16 2.397 -1.867 -11.039
92 HB VAL 16 HB VAL 16 1.360 -0.068 -12.414
93 HG11 VAL 16 1HG1 VAL 16 2.289 2.060 -12.635
94 HG12 VAL 16 2HG1 VAL 16 2.346 1.759 -10.897
95 HG13 VAL 16 3HG1 VAL 16 3.805 1.581 -11.872
96 HG21 VAL 16 3HG2 VAL 16 3.923 -1.334 -12.793
97 HG22 VAL 16 1HG2 VAL 16 2.630 -1.044 -13.957
98 HG23 VAL 16 2HG2 VAL 16 3.844 0.200 -13.660
99 H GLU 17 H GLU 17 3.315 0.567 -8.830
100 HA GLU 17 HA GLU 17 6.139 0.463 -9.415
101 HB2 GLU 17 1HB GLU 17 4.499 1.773 -7.257
102 HB3 GLU 17 2HB GLU 17 6.256 1.757 -7.196
103 HG2 GLU 17 1HG GLU 17 4.853 2.750 -9.636
104 HG3 GLU 17 2HG GLU 17 5.020 3.787 -8.220
105 H CYS 18 H CYS 18 3.998 -0.717 -6.839
106 HA CYS 18 HA CYS 18 6.186 -2.453 -5.907
107 HB2 CYS 18 1HB CYS 18 4.726 -2.652 -3.820
108 HB3 CYS 18 2HB CYS 18 5.501 -1.096 -4.099
109 H GLY 19 H GLY 19 2.723 -2.382 -6.661
110 HA2 GLY 19 1HA GLY 19 1.722 -4.163 -7.928
111 HA3 GLY 19 2HA GLY 19 2.886 -5.270 -7.214
112 H LYS 20 H LYS 20 1.245 -2.905 -5.261
113 HA LYS 20 HA LYS 20 0.042 -5.035 -3.702
114 HB2 LYS 20 1HB LYS 20 0.623 -2.157 -3.309
115 HB3 LYS 20 2HB LYS 20 -0.791 -2.781 -2.470
116 HG2 LYS 20 1HG LYS 20 1.118 -2.890 -1.018
117 HG3 LYS 20 2HG LYS 20 0.620 -4.527 -1.450
118 HD2 LYS 20 1HD LYS 20 2.679 -3.206 -3.139
119 HD3 LYS 20 2HD LYS 20 3.159 -3.760 -1.533
120 HE2 LYS 20 1HE LYS 20 2.063 -5.983 -2.187
121 HE3 LYS 20 2HE LYS 20 2.098 -5.366 -3.838
122 HZ1 LYS 20 3HZ LYS 20 4.237 -5.867 -4.000
123 HZ2 LYS 20 1HZ LYS 20 4.138 -6.647 -2.501
124 HZ3 LYS 20 2HZ LYS 20 4.618 -5.027 -2.581
125 H GLY 21 H GLY 21 -2.190 -5.152 -3.184
126 HA2 GLY 21 1HA GLY 21 -3.895 -4.144 -5.353
127 HA3 GLY 21 2HA GLY 21 -4.271 -5.497 -4.295
128 H TYR 22 H TYR 22 -5.523 -2.749 -5.042
129 HA TYR 22 HA TYR 22 -6.144 -1.976 -2.266
130 HB2 TYR 22 1HB TYR 22 -5.895 -0.244 -4.727
131 HB3 TYR 22 2HB TYR 22 -6.650 0.309 -3.236
132 HD1 TYR 22 HD2 TYR 22 -3.468 -1.215 -4.459
133 HD2 TYR 22 HD1 TYR 22 -5.341 1.376 -1.652
134 HE1 TYR 22 HE2 TYR 22 -1.260 -0.572 -3.587
135 HE2 TYR 22 HE1 TYR 22 -3.138 2.027 -0.773
136 HH TYR 22 HH TYR 22 -0.144 0.732 -2.179
137 H LYS 23 H LYS 23 -8.186 -2.257 -1.683
138 HA LYS 23 HA LYS 23 -10.145 -3.419 -3.231
139 HB2 LYS 23 1HB LYS 23 -10.015 -2.972 -0.659
140 HB3 LYS 23 2HB LYS 23 -10.904 -1.506 -1.050
141 HG2 LYS 23 1HG LYS 23 -12.526 -3.101 -2.278
142 HG3 LYS 23 2HG LYS 23 -11.762 -4.357 -1.300
143 HD2 LYS 23 1HD LYS 23 -13.481 -3.763 0.090
144 HD3 LYS 23 2HD LYS 23 -12.239 -2.640 0.649
145 HE2 LYS 23 1HE LYS 23 -14.353 -1.998 -1.404
146 HE3 LYS 23 2HE LYS 23 -14.446 -1.571 0.304
147 HZ1 LYS 23 3HZ LYS 23 -13.630 0.326 -0.754
148 HZ2 LYS 23 1HZ LYS 23 -12.570 -0.550 -1.741
149 HZ3 LYS 23 2HZ LYS 23 -12.250 -0.390 -0.087
150 H ARG 24 H ARG 24 -9.474 0.008 -2.743
151 HA ARG 24 HA ARG 24 -11.471 0.624 -4.821
152 HB2 ARG 24 1HB ARG 24 -12.150 1.582 -2.705
153 HB3 ARG 24 2HB ARG 24 -10.564 2.308 -2.483
154 HG2 ARG 24 1HG ARG 24 -10.928 3.861 -4.230
155 HG3 ARG 24 2HG ARG 24 -12.371 3.006 -4.779
156 HD2 ARG 24 1HD ARG 24 -12.171 4.188 -2.025
157 HD3 ARG 24 2HD ARG 24 -12.703 5.141 -3.410
158 HE ARG 24 HE ARG 24 -14.180 3.070 -2.050
159 HH11 ARG 24 1HH1 ARG 24 -13.836 4.933 -4.970
160 HH12 ARG 24 2HH1 ARG 24 -15.477 4.693 -5.472
161 HH21 ARG 24 1HH2 ARG 24 -16.342 2.746 -2.699
162 HH22 ARG 24 2HH2 ARG 24 -16.902 3.449 -4.179
163 H ARG 25 H ARG 25 -10.896 1.992 -6.480
164 HA ARG 25 HA ARG 25 -8.155 2.069 -7.190
165 HB2 ARG 25 1HB ARG 25 -9.840 1.966 -8.912
166 HB3 ARG 25 2HB ARG 25 -10.562 3.471 -8.358
167 HG2 ARG 25 1HG ARG 25 -9.368 4.171 -10.188
168 HG3 ARG 25 2HG ARG 25 -8.220 4.473 -8.883
169 HD2 ARG 25 1HD ARG 25 -7.501 1.983 -9.455
170 HD3 ARG 25 2HD ARG 25 -8.175 2.416 -11.025
171 HE ARG 25 HE ARG 25 -6.338 4.368 -10.006
172 HH11 ARG 25 1HH1 ARG 25 -6.629 1.368 -11.748
173 HH12 ARG 25 2HH1 ARG 25 -5.125 1.559 -12.587
174 HH21 ARG 25 1HH2 ARG 25 -4.357 4.631 -11.104
175 HH22 ARG 25 2HH2 ARG 25 -3.833 3.415 -12.220
176 H LEU 26 H LEU 26 -10.397 4.500 -5.938
177 HA LEU 26 HA LEU 26 -8.827 6.769 -6.193
178 HB2 LEU 26 1HB LEU 26 -11.243 6.519 -5.376
179 HB3 LEU 26 2HB LEU 26 -10.539 6.247 -3.784
180 HG LEU 26 HG LEU 26 -11.192 8.520 -3.868
181 HD11 LEU 26 1HD1 LEU 26 -9.219 9.582 -3.286
182 HD12 LEU 26 2HD1 LEU 26 -8.277 8.726 -4.506
183 HD13 LEU 26 3HD1 LEU 26 -8.822 7.879 -3.058
184 HD21 LEU 26 3HD2 LEU 26 -11.505 9.357 -5.921
185 HD22 LEU 26 1HD2 LEU 26 -10.262 8.329 -6.634
186 HD23 LEU 26 2HD2 LEU 26 -9.807 9.828 -5.824
187 H ASP 27 H ASP 27 -8.821 4.311 -3.656
188 HA ASP 27 HA ASP 27 -7.036 5.593 -1.901
189 HB2 ASP 27 1HB ASP 27 -7.938 2.774 -2.312
190 HB3 ASP 27 2HB ASP 27 -6.539 3.068 -1.281
191 H LEU 28 H LEU 28 -6.425 3.093 -4.367
192 HA LEU 28 HA LEU 28 -3.640 3.013 -4.053
193 HB2 LEU 28 1HB LEU 28 -4.639 1.234 -5.210
194 HB3 LEU 28 2HB LEU 28 -5.472 2.316 -6.324
195 HG LEU 28 HG LEU 28 -2.949 2.895 -6.990
196 HD11 LEU 28 1HD1 LEU 28 -2.235 1.156 -5.225
197 HD12 LEU 28 2HD1 LEU 28 -1.460 1.126 -6.808
198 HD13 LEU 28 3HD1 LEU 28 -2.729 -0.037 -6.426
199 HD21 LEU 28 3HD2 LEU 28 -3.248 0.890 -8.660
200 HD22 LEU 28 1HD2 LEU 28 -4.318 2.290 -8.726
201 HD23 LEU 28 2HD2 LEU 28 -4.854 0.808 -7.935
202 H ASP 29 H ASP 29 -5.598 4.739 -6.479
203 HA ASP 29 HA ASP 29 -3.692 5.986 -7.951
204 HB2 ASP 29 1HB ASP 29 -6.161 6.235 -8.245
205 HB3 ASP 29 2HB ASP 29 -6.165 7.377 -6.905
206 H PHE 30 H PHE 30 -4.705 6.839 -4.692
207 HA PHE 30 HA PHE 30 -3.035 9.193 -4.610
208 HB2 PHE 30 1HB PHE 30 -5.281 8.640 -3.310
209 HB3 PHE 30 2HB PHE 30 -4.158 7.968 -2.131
210 HD1 PHE 30 HD1 PHE 30 -2.135 9.562 -1.532
211 HD2 PHE 30 HD2 PHE 30 -5.873 10.846 -3.110
212 HE1 PHE 30 HE1 PHE 30 -1.743 11.813 -0.619
213 HE2 PHE 30 HE2 PHE 30 -5.487 13.099 -2.201
214 HZ PHE 30 HZ PHE 30 -3.420 13.586 -0.955
215 H HIS 31 H HIS 31 -2.776 5.839 -3.798
216 HA HIS 31 HA HIS 31 -0.658 5.998 -1.935
217 HB2 HIS 31 1HB HIS 31 -1.641 3.919 -1.890
218 HB3 HIS 31 2HB HIS 31 -1.840 3.855 -3.638
219 HD1 HIS 31 HD1 HIS 31 0.852 3.459 -1.006
220 HD2 HIS 31 HD2 HIS 31 0.089 2.445 -4.962
221 HE1 HIS 31 HE1 HIS 31 2.725 1.921 -1.679
222 H GLN 32 H GLN 32 -0.710 5.581 -5.455
223 HA GLN 32 HA GLN 32 1.933 5.108 -5.985
224 HB2 GLN 32 1HB GLN 32 -0.073 6.782 -7.489
225 HB3 GLN 32 2HB GLN 32 1.534 6.447 -8.119
226 HG2 GLN 32 1HG GLN 32 1.102 4.141 -8.286
227 HG3 GLN 32 2HG GLN 32 -0.352 4.264 -7.297
228 HE21 GLN 32 1HE2 GLN 32 -1.823 3.499 -8.709
229 HE22 GLN 32 2HE2 GLN 32 -2.200 4.241 -10.223
230 H ARG 33 H ARG 33 0.553 7.940 -4.637
231 HA ARG 33 HA ARG 33 2.303 9.939 -5.416
232 HB2 ARG 33 1HB ARG 33 1.040 9.542 -2.697
233 HB3 ARG 33 2HB ARG 33 1.742 11.044 -3.283
234 HG2 ARG 33 1HG ARG 33 -0.396 9.782 -4.908
235 HG3 ARG 33 2HG ARG 33 -0.850 10.576 -3.399
236 HD2 ARG 33 1HD ARG 33 -1.034 12.182 -5.157
237 HD3 ARG 33 2HD ARG 33 0.376 12.602 -4.185
238 HE ARG 33 HE ARG 33 1.708 12.203 -6.004
239 HH11 ARG 33 1HH1 ARG 33 -1.445 10.839 -6.570
240 HH12 ARG 33 2HH1 ARG 33 -1.126 10.460 -8.231
241 HH21 ARG 33 1HH2 ARG 33 2.139 11.709 -8.189
242 HH22 ARG 33 2HH2 ARG 33 0.913 10.955 -9.150
243 H VAL 34 H VAL 34 2.662 7.535 -2.844
244 HA VAL 34 HA VAL 34 5.068 8.528 -1.766
245 HB VAL 34 HB VAL 34 5.341 6.355 -0.721
246 HG11 VAL 34 1HG1 VAL 34 3.783 7.727 0.397
247 HG12 VAL 34 2HG1 VAL 34 2.529 7.417 -0.805
248 HG13 VAL 34 3HG1 VAL 34 3.029 6.136 0.299
249 HG21 VAL 34 3HG2 VAL 34 2.939 5.154 -1.915
250 HG22 VAL 34 1HG2 VAL 34 4.320 5.304 -3.003
251 HG23 VAL 34 2HG2 VAL 34 4.484 4.419 -1.486
252 H HIS 35 H HIS 35 4.388 6.761 -4.641
253 HA HIS 35 HA HIS 35 7.108 5.806 -4.967
254 HB2 HIS 35 1HB HIS 35 4.640 5.636 -6.695
255 HB3 HIS 35 2HB HIS 35 6.214 5.050 -7.225
256 HD1 HIS 35 HD1 HIS 35 7.287 3.388 -5.116
257 HD2 HIS 35 HD2 HIS 35 3.188 3.569 -5.772
258 HE1 HIS 35 HE1 HIS 35 6.349 1.291 -4.092
259 H THR 36 H THR 36 5.053 8.388 -6.142
260 HA THR 36 HA THR 36 6.922 9.254 -8.156
261 HB THR 36 HB THR 36 5.393 11.296 -8.238
262 HG1 THR 36 HG1 THR 36 4.544 10.871 -6.059
263 HG21 THR 36 3HG2 THR 36 3.891 10.214 -9.642
264 HG22 THR 36 1HG2 THR 36 3.833 8.769 -8.633
265 HG23 THR 36 2HG2 THR 36 5.258 9.099 -9.619
266 H GLY 37 H GLY 37 6.075 10.171 -4.863
267 HA2 GLY 37 1HA GLY 37 7.014 11.683 -3.405
268 HA3 GLY 37 2HA GLY 37 8.527 11.204 -4.160
269 H GLU 38 H GLU 38 9.666 12.765 -5.088
270 HA GLU 38 HA GLU 38 8.241 15.189 -5.972
271 HB2 GLU 38 1HB GLU 38 9.644 15.440 -3.877
272 HB3 GLU 38 2HB GLU 38 11.054 15.130 -4.881
273 HG2 GLU 38 1HG GLU 38 10.690 17.105 -6.148
274 HG3 GLU 38 2HG GLU 38 9.106 17.355 -5.415
275 H LYS 39 H LYS 39 8.135 14.211 -8.079
276 HA LYS 39 HA LYS 39 10.385 14.922 -9.712
277 HB2 LYS 39 1HB LYS 39 10.684 12.467 -8.762
278 HB3 LYS 39 2HB LYS 39 9.561 12.073 -10.058
279 HG2 LYS 39 1HG LYS 39 11.550 11.782 -11.132
280 HG3 LYS 39 2HG LYS 39 11.240 13.479 -11.506
281 HD2 LYS 39 1HD LYS 39 13.511 13.323 -10.818
282 HD3 LYS 39 2HD LYS 39 12.621 14.066 -9.487
283 HE2 LYS 39 1HE LYS 39 12.596 12.011 -8.267
284 HE3 LYS 39 2HE LYS 39 13.243 11.122 -9.646
285 HZ1 LYS 39 3HZ LYS 39 15.331 11.830 -9.237
286 HZ2 LYS 39 1HZ LYS 39 14.750 11.997 -7.656
287 HZ3 LYS 39 2HZ LYS 39 14.845 13.348 -8.670
288 H LEU 40 H LEU 40 9.903 14.790 -12.004
289 HA LEU 40 HA LEU 40 7.006 14.876 -12.501
290 HB2 LEU 40 1HB LEU 40 9.334 16.340 -13.649
291 HB3 LEU 40 2HB LEU 40 7.900 16.100 -14.645
292 HG LEU 40 HG LEU 40 6.657 17.152 -12.601
293 HD11 LEU 40 1HD1 LEU 40 8.184 18.953 -11.619
294 HD12 LEU 40 2HD1 LEU 40 9.518 17.928 -12.147
295 HD13 LEU 40 3HD1 LEU 40 8.339 17.313 -10.989
296 HD21 LEU 40 3HD2 LEU 40 6.516 18.298 -14.608
297 HD22 LEU 40 1HD2 LEU 40 8.261 18.524 -14.721
298 HD23 LEU 40 2HD2 LEU 40 7.323 19.465 -13.560
299 H SER 41 H SER 41 6.878 12.588 -12.789
300 HA SER 41 HA SER 41 7.906 11.710 -15.406
301 HB2 SER 41 1HB SER 41 7.882 10.257 -12.777
302 HB3 SER 41 2HB SER 41 7.826 9.353 -14.290
303 HG SER 41 HG SER 41 9.772 10.358 -14.891
304 H GLY 42 H GLY 42 6.315 11.325 -16.787
305 HA2 GLY 42 1HA GLY 42 4.303 9.612 -16.780
306 HA3 GLY 42 2HA GLY 42 3.612 10.874 -15.772
307 HA PRO 43 HA PRO 43 4.248 12.907 -20.108
308 HB2 PRO 43 1HB PRO 43 5.089 11.286 -22.117
309 HB3 PRO 43 2HB PRO 43 6.202 12.183 -21.076
310 HG2 PRO 43 1HG PRO 43 5.364 9.312 -20.926
311 HG3 PRO 43 2HG PRO 43 6.980 10.018 -20.732
312 HD2 PRO 43 1HD PRO 43 5.450 9.281 -18.623
313 HD3 PRO 43 2HD PRO 43 6.581 10.648 -18.551
314 H SER 44 H SER 44 2.785 13.038 -21.869
315 HA SER 44 HA SER 44 0.550 11.185 -21.635
316 HB2 SER 44 1HB SER 44 -0.769 12.832 -22.703
317 HB3 SER 44 2HB SER 44 0.320 13.740 -21.655
318 HG SER 44 HG SER 44 1.630 14.133 -23.482
319 H SER 45 H SER 45 2.782 10.030 -22.807
320 HA SER 45 HA SER 45 2.192 9.977 -25.680
321 HB2 SER 45 1HB SER 45 4.552 8.900 -24.120
322 HB3 SER 45 2HB SER 45 4.345 8.730 -25.863
323 HG SER 45 HG SER 45 4.268 11.065 -25.934
324 H GLY 46 H GLY 46 1.288 8.254 -26.643
325 HA2 GLY 46 1HA GLY 46 0.366 6.083 -24.944
326 HA3 GLY 46 2HA GLY 46 -0.114 6.383 -26.607
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -0.338 -19.432 9.911
2 HA2 GLY 1 1HA GLY 1 -1.782 -18.813 12.237
3 HA3 GLY 1 2HA GLY 1 -0.365 -17.775 12.181
4 H SER 2 H SER 2 -3.386 -18.603 10.630
5 HA SER 2 HA SER 2 -3.119 -16.425 8.715
6 HB2 SER 2 1HB SER 2 -5.391 -18.382 9.132
7 HB3 SER 2 2HB SER 2 -5.242 -17.242 7.795
8 HG SER 2 HG SER 2 -3.389 -18.350 7.124
9 H SER 3 H SER 3 -4.236 -14.537 8.777
10 HA SER 3 HA SER 3 -5.155 -13.580 11.262
11 HB2 SER 3 1HB SER 3 -5.111 -12.536 8.468
12 HB3 SER 3 2HB SER 3 -6.162 -11.730 9.631
13 HG SER 3 HG SER 3 -4.468 -10.974 10.652
14 H GLY 4 H GLY 4 -6.952 -14.364 8.281
15 HA2 GLY 4 1HA GLY 4 -9.002 -15.732 8.643
16 HA3 GLY 4 2HA GLY 4 -9.374 -14.625 9.956
17 H SER 5 H SER 5 -9.067 -14.921 6.462
18 HA SER 5 HA SER 5 -9.925 -12.332 5.783
19 HB2 SER 5 1HB SER 5 -10.143 -13.131 3.568
20 HB3 SER 5 2HB SER 5 -8.857 -14.112 4.271
21 HG SER 5 HG SER 5 -10.816 -15.545 4.817
22 H SER 6 H SER 6 -11.887 -11.410 5.584
23 HA SER 6 HA SER 6 -14.202 -13.020 6.410
24 HB2 SER 6 1HB SER 6 -13.870 -10.010 6.405
25 HB3 SER 6 2HB SER 6 -15.258 -10.899 7.032
26 HG SER 6 HG SER 6 -14.074 -10.638 8.804
27 H GLY 7 H GLY 7 -13.209 -10.544 4.063
28 HA2 GLY 7 1HA GLY 7 -15.604 -11.155 2.469
29 HA3 GLY 7 2HA GLY 7 -14.593 -9.729 2.290
30 H SER 8 H SER 8 -13.458 -9.717 0.481
31 HA SER 8 HA SER 8 -12.780 -12.276 -0.782
32 HB2 SER 8 1HB SER 8 -14.050 -10.375 -1.997
33 HB3 SER 8 2HB SER 8 -12.479 -9.580 -2.087
34 HG SER 8 HG SER 8 -13.012 -12.203 -3.029
35 H GLY 9 H GLY 9 -10.674 -12.633 -1.646
36 HA2 GLY 9 1HA GLY 9 -8.592 -11.537 0.046
37 HA3 GLY 9 2HA GLY 9 -8.412 -12.834 -1.127
38 H GLU 10 H GLU 10 -8.093 -12.306 -3.338
39 HA GLU 10 HA GLU 10 -6.263 -10.360 -3.890
40 HB2 GLU 10 1HB GLU 10 -6.733 -10.682 -6.227
41 HB3 GLU 10 2HB GLU 10 -6.898 -12.229 -5.408
42 HG2 GLU 10 1HG GLU 10 -8.704 -12.141 -6.874
43 HG3 GLU 10 2HG GLU 10 -9.389 -11.726 -5.304
44 H LYS 11 H LYS 11 -6.586 -8.497 -5.501
45 HA LYS 11 HA LYS 11 -8.990 -6.953 -4.796
46 HB2 LYS 11 1HB LYS 11 -6.147 -5.931 -4.904
47 HB3 LYS 11 2HB LYS 11 -7.570 -4.918 -4.706
48 HG2 LYS 11 1HG LYS 11 -6.898 -7.133 -2.796
49 HG3 LYS 11 2HG LYS 11 -6.272 -5.493 -2.611
50 HD2 LYS 11 1HD LYS 11 -8.810 -4.848 -2.875
51 HD3 LYS 11 2HD LYS 11 -9.062 -6.510 -2.337
52 HE2 LYS 11 1HE LYS 11 -7.266 -4.610 -0.857
53 HE3 LYS 11 2HE LYS 11 -9.001 -4.684 -0.550
54 HZ1 LYS 11 3HZ LYS 11 -7.978 -7.293 -0.531
55 HZ2 LYS 11 1HZ LYS 11 -8.664 -6.426 0.749
56 HZ3 LYS 11 2HZ LYS 11 -6.998 -6.343 0.468
57 HA PRO 12 HA PRO 12 -9.435 -6.153 -9.091
58 HB2 PRO 12 1HB PRO 12 -10.607 -3.704 -9.038
59 HB3 PRO 12 2HB PRO 12 -11.454 -5.185 -8.575
60 HG2 PRO 12 1HG PRO 12 -10.167 -3.116 -6.836
61 HG3 PRO 12 2HG PRO 12 -11.724 -3.938 -6.631
62 HD2 PRO 12 1HD PRO 12 -9.501 -4.670 -5.270
63 HD3 PRO 12 2HD PRO 12 -10.751 -5.834 -5.753
64 H TYR 13 H TYR 13 -8.316 -3.260 -7.321
65 HA TYR 13 HA TYR 13 -6.662 -2.536 -9.628
66 HB2 TYR 13 1HB TYR 13 -7.166 -0.890 -7.147
67 HB3 TYR 13 2HB TYR 13 -6.522 -0.338 -8.689
68 HD1 TYR 13 HD1 TYR 13 -8.017 -0.156 -10.659
69 HD2 TYR 13 HD2 TYR 13 -9.518 -1.097 -6.791
70 HE1 TYR 13 HE1 TYR 13 -10.288 0.424 -11.406
71 HE2 TYR 13 HE2 TYR 13 -11.793 -0.521 -7.527
72 HH TYR 13 HH TYR 13 -13.055 -0.391 -9.675
73 H LYS 14 H LYS 14 -4.474 -2.464 -9.559
74 HA LYS 14 HA LYS 14 -3.131 -2.974 -7.002
75 HB2 LYS 14 1HB LYS 14 -2.599 -4.500 -9.559
76 HB3 LYS 14 2HB LYS 14 -1.659 -4.637 -8.078
77 HG2 LYS 14 1HG LYS 14 -3.017 -6.430 -7.809
78 HG3 LYS 14 2HG LYS 14 -4.039 -5.201 -7.061
79 HD2 LYS 14 1HD LYS 14 -5.583 -6.084 -8.470
80 HD3 LYS 14 2HD LYS 14 -4.849 -4.941 -9.597
81 HE2 LYS 14 1HE LYS 14 -3.613 -7.627 -9.383
82 HE3 LYS 14 2HE LYS 14 -5.186 -7.525 -10.172
83 HZ1 LYS 14 3HZ LYS 14 -4.355 -6.231 -11.862
84 HZ2 LYS 14 1HZ LYS 14 -3.040 -7.252 -11.560
85 HZ3 LYS 14 2HZ LYS 14 -3.040 -5.672 -10.956
86 H CYS 15 H CYS 15 -1.059 -2.132 -6.828
87 HA CYS 15 HA CYS 15 -0.497 0.144 -8.418
88 HB2 CYS 15 1HB CYS 15 0.149 -0.212 -5.992
89 HB3 CYS 15 2HB CYS 15 1.439 -1.259 -6.574
90 H VAL 16 H VAL 16 1.480 0.535 -9.636
91 HA VAL 16 HA VAL 16 2.267 -1.849 -11.168
92 HB VAL 16 HB VAL 16 1.186 0.042 -12.408
93 HG11 VAL 16 1HG1 VAL 16 2.082 2.134 -12.547
94 HG12 VAL 16 2HG1 VAL 16 2.614 1.708 -10.918
95 HG13 VAL 16 3HG1 VAL 16 3.730 1.568 -12.277
96 HG21 VAL 16 3HG2 VAL 16 2.566 -1.569 -13.577
97 HG22 VAL 16 1HG2 VAL 16 2.824 0.040 -14.252
98 HG23 VAL 16 2HG2 VAL 16 4.021 -0.663 -13.164
99 H GLU 17 H GLU 17 3.408 0.453 -8.945
100 HA GLU 17 HA GLU 17 6.183 0.303 -9.746
101 HB2 GLU 17 1HB GLU 17 4.864 1.510 -7.309
102 HB3 GLU 17 2HB GLU 17 6.580 1.625 -7.671
103 HG2 GLU 17 1HG GLU 17 4.329 2.736 -9.331
104 HG3 GLU 17 2HG GLU 17 5.433 3.655 -8.309
105 H CYS 18 H CYS 18 4.233 -0.821 -6.991
106 HA CYS 18 HA CYS 18 6.402 -2.691 -6.311
107 HB2 CYS 18 1HB CYS 18 5.278 -2.830 -4.076
108 HB3 CYS 18 2HB CYS 18 5.903 -1.231 -4.466
109 H GLY 19 H GLY 19 2.927 -2.412 -6.859
110 HA2 GLY 19 1HA GLY 19 1.781 -4.167 -8.056
111 HA3 GLY 19 2HA GLY 19 2.860 -5.326 -7.295
112 H LYS 20 H LYS 20 1.553 -2.787 -5.356
113 HA LYS 20 HA LYS 20 0.370 -4.578 -3.526
114 HB2 LYS 20 1HB LYS 20 0.402 -1.615 -3.880
115 HB3 LYS 20 2HB LYS 20 -0.791 -2.309 -2.789
116 HG2 LYS 20 1HG LYS 20 2.141 -2.921 -2.575
117 HG3 LYS 20 2HG LYS 20 1.387 -1.551 -1.757
118 HD2 LYS 20 1HD LYS 20 0.232 -2.882 -0.298
119 HD3 LYS 20 2HD LYS 20 0.144 -4.233 -1.432
120 HE2 LYS 20 1HE LYS 20 2.481 -4.742 -1.053
121 HE3 LYS 20 2HE LYS 20 2.644 -3.335 -0.003
122 HZ1 LYS 20 3HZ LYS 20 0.672 -5.436 0.616
123 HZ2 LYS 20 1HZ LYS 20 1.407 -4.325 1.659
124 HZ3 LYS 20 2HZ LYS 20 2.294 -5.632 1.053
125 H GLY 21 H GLY 21 -2.057 -3.792 -2.798
126 HA2 GLY 21 1HA GLY 21 -3.774 -3.796 -5.177
127 HA3 GLY 21 2HA GLY 21 -3.939 -5.117 -4.030
128 H TYR 22 H TYR 22 -5.587 -2.637 -4.948
129 HA TYR 22 HA TYR 22 -6.470 -1.948 -2.230
130 HB2 TYR 22 1HB TYR 22 -5.996 -0.060 -4.536
131 HB3 TYR 22 2HB TYR 22 -6.999 0.365 -3.153
132 HD1 TYR 22 HD2 TYR 22 -3.565 -0.541 -4.186
133 HD2 TYR 22 HD1 TYR 22 -6.027 1.042 -1.099
134 HE1 TYR 22 HE2 TYR 22 -1.556 0.172 -2.959
135 HE2 TYR 22 HE1 TYR 22 -4.026 1.761 0.137
136 HH TYR 22 HH TYR 22 -1.577 1.057 0.244
137 H LYS 23 H LYS 23 -8.591 -2.174 -1.906
138 HA LYS 23 HA LYS 23 -10.280 -3.419 -3.712
139 HB2 LYS 23 1HB LYS 23 -12.133 -2.659 -2.208
140 HB3 LYS 23 2HB LYS 23 -10.802 -3.451 -1.375
141 HG2 LYS 23 1HG LYS 23 -9.963 -0.952 -1.120
142 HG3 LYS 23 2HG LYS 23 -11.690 -0.624 -1.284
143 HD2 LYS 23 1HD LYS 23 -10.802 -2.754 0.603
144 HD3 LYS 23 2HD LYS 23 -10.607 -1.064 1.075
145 HE2 LYS 23 1HE LYS 23 -13.229 -1.933 -0.031
146 HE3 LYS 23 2HE LYS 23 -12.816 -2.415 1.614
147 HZ1 LYS 23 3HZ LYS 23 -13.413 -0.410 2.290
148 HZ2 LYS 23 1HZ LYS 23 -13.743 0.074 0.703
149 HZ3 LYS 23 2HZ LYS 23 -12.194 0.287 1.347
150 H ARG 24 H ARG 24 -9.952 0.036 -2.991
151 HA ARG 24 HA ARG 24 -11.626 0.609 -5.348
152 HB2 ARG 24 1HB ARG 24 -12.622 1.468 -3.307
153 HB3 ARG 24 2HB ARG 24 -11.123 2.285 -2.884
154 HG2 ARG 24 1HG ARG 24 -11.357 3.759 -4.797
155 HG3 ARG 24 2HG ARG 24 -12.827 2.913 -5.286
156 HD2 ARG 24 1HD ARG 24 -12.654 4.059 -2.538
157 HD3 ARG 24 2HD ARG 24 -12.948 5.140 -3.900
158 HE ARG 24 HE ARG 24 -15.046 4.199 -4.173
159 HH11 ARG 24 1HH1 ARG 24 -13.217 2.444 -1.786
160 HH12 ARG 24 2HH1 ARG 24 -14.585 1.553 -1.205
161 HH21 ARG 24 1HH2 ARG 24 -16.854 3.033 -3.415
162 HH22 ARG 24 2HH2 ARG 24 -16.652 1.888 -2.132
163 H ARG 25 H ARG 25 -10.752 1.693 -7.006
164 HA ARG 25 HA ARG 25 -8.036 1.987 -7.358
165 HB2 ARG 25 1HB ARG 25 -9.438 2.041 -9.274
166 HB3 ARG 25 2HB ARG 25 -10.354 3.408 -8.656
167 HG2 ARG 25 1HG ARG 25 -8.693 4.929 -9.181
168 HG3 ARG 25 2HG ARG 25 -7.436 3.691 -9.225
169 HD2 ARG 25 1HD ARG 25 -7.711 4.013 -11.464
170 HD3 ARG 25 2HD ARG 25 -8.930 2.766 -11.204
171 HE ARG 25 HE ARG 25 -9.388 5.549 -11.844
172 HH11 ARG 25 1HH1 ARG 25 -10.739 2.577 -10.635
173 HH12 ARG 25 2HH1 ARG 25 -12.374 3.022 -10.992
174 HH21 ARG 25 1HH2 ARG 25 -11.538 6.147 -12.319
175 HH22 ARG 25 2HH2 ARG 25 -12.828 5.053 -11.951
176 H LEU 26 H LEU 26 -10.364 4.538 -6.481
177 HA LEU 26 HA LEU 26 -8.809 6.739 -6.336
178 HB2 LEU 26 1HB LEU 26 -11.254 6.424 -5.658
179 HB3 LEU 26 2HB LEU 26 -10.631 6.033 -4.056
180 HG LEU 26 HG LEU 26 -11.337 8.320 -4.068
181 HD11 LEU 26 1HD1 LEU 26 -9.108 7.599 -2.997
182 HD12 LEU 26 2HD1 LEU 26 -9.441 9.321 -3.177
183 HD13 LEU 26 3HD1 LEU 26 -8.358 8.510 -4.308
184 HD21 LEU 26 3HD2 LEU 26 -10.434 8.286 -6.737
185 HD22 LEU 26 1HD2 LEU 26 -9.475 9.499 -5.888
186 HD23 LEU 26 2HD2 LEU 26 -11.235 9.601 -5.876
187 H ASP 27 H ASP 27 -9.000 4.227 -3.834
188 HA ASP 27 HA ASP 27 -7.281 5.380 -1.970
189 HB2 ASP 27 1HB ASP 27 -7.693 2.445 -2.583
190 HB3 ASP 27 2HB ASP 27 -6.943 3.083 -1.123
191 H LEU 28 H LEU 28 -6.497 2.977 -4.487
192 HA LEU 28 HA LEU 28 -3.743 2.906 -4.045
193 HB2 LEU 28 1HB LEU 28 -4.653 1.206 -5.374
194 HB3 LEU 28 2HB LEU 28 -5.444 2.354 -6.452
195 HG LEU 28 HG LEU 28 -2.909 3.003 -6.965
196 HD11 LEU 28 1HD1 LEU 28 -2.156 1.258 -5.291
197 HD12 LEU 28 2HD1 LEU 28 -1.423 1.178 -6.893
198 HD13 LEU 28 3HD1 LEU 28 -2.704 0.049 -6.453
199 HD21 LEU 28 3HD2 LEU 28 -4.155 2.474 -8.807
200 HD22 LEU 28 1HD2 LEU 28 -4.739 0.960 -8.116
201 HD23 LEU 28 2HD2 LEU 28 -3.095 1.065 -8.746
202 H ASP 29 H ASP 29 -5.626 4.891 -6.312
203 HA ASP 29 HA ASP 29 -3.660 6.204 -7.667
204 HB2 ASP 29 1HB ASP 29 -6.123 6.524 -7.971
205 HB3 ASP 29 2HB ASP 29 -6.120 7.555 -6.543
206 H PHE 30 H PHE 30 -4.705 6.774 -4.359
207 HA PHE 30 HA PHE 30 -3.053 9.107 -4.027
208 HB2 PHE 30 1HB PHE 30 -5.253 8.442 -2.770
209 HB3 PHE 30 2HB PHE 30 -4.162 7.533 -1.729
210 HD1 PHE 30 HD1 PHE 30 -2.147 8.859 -0.763
211 HD2 PHE 30 HD2 PHE 30 -5.676 10.662 -2.316
212 HE1 PHE 30 HE1 PHE 30 -1.660 10.906 0.514
213 HE2 PHE 30 HE2 PHE 30 -5.195 12.711 -1.043
214 HZ PHE 30 HZ PHE 30 -3.184 12.835 0.374
215 H HIS 31 H HIS 31 -2.697 5.692 -3.641
216 HA HIS 31 HA HIS 31 -0.498 5.741 -1.831
217 HB2 HIS 31 1HB HIS 31 -1.491 3.666 -1.835
218 HB3 HIS 31 2HB HIS 31 -1.792 3.693 -3.570
219 HD1 HIS 31 HD1 HIS 31 0.955 3.014 -1.080
220 HD2 HIS 31 HD2 HIS 31 0.142 2.490 -5.121
221 HE1 HIS 31 HE1 HIS 31 2.800 1.545 -1.952
222 H GLN 32 H GLN 32 -0.760 5.465 -5.360
223 HA GLN 32 HA GLN 32 1.847 5.035 -6.063
224 HB2 GLN 32 1HB GLN 32 -0.292 6.700 -7.366
225 HB3 GLN 32 2HB GLN 32 1.297 6.517 -8.098
226 HG2 GLN 32 1HG GLN 32 1.001 4.237 -8.465
227 HG3 GLN 32 2HG GLN 32 -0.326 4.130 -7.309
228 HE21 GLN 32 1HE2 GLN 32 -1.905 3.359 -8.587
229 HE22 GLN 32 2HE2 GLN 32 -2.523 4.173 -9.980
230 H ARG 33 H ARG 33 0.490 7.866 -4.631
231 HA ARG 33 HA ARG 33 2.275 9.841 -5.413
232 HB2 ARG 33 1HB ARG 33 0.819 9.419 -2.804
233 HB3 ARG 33 2HB ARG 33 1.768 10.860 -3.143
234 HG2 ARG 33 1HG ARG 33 0.334 11.400 -5.018
235 HG3 ARG 33 2HG ARG 33 -0.587 9.916 -4.764
236 HD2 ARG 33 1HD ARG 33 -1.802 11.755 -3.808
237 HD3 ARG 33 2HD ARG 33 -1.192 10.737 -2.505
238 HE ARG 33 HE ARG 33 0.727 12.628 -2.767
239 HH11 ARG 33 1HH1 ARG 33 -2.728 12.757 -2.356
240 HH12 ARG 33 2HH1 ARG 33 -2.701 14.264 -1.502
241 HH21 ARG 33 1HH2 ARG 33 0.775 14.613 -1.645
242 HH22 ARG 33 2HH2 ARG 33 -0.708 15.320 -1.099
243 H VAL 34 H VAL 34 2.587 7.393 -2.889
244 HA VAL 34 HA VAL 34 4.949 8.347 -1.707
245 HB VAL 34 HB VAL 34 5.251 6.083 -0.827
246 HG11 VAL 34 1HG1 VAL 34 3.591 7.644 0.171
247 HG12 VAL 34 2HG1 VAL 34 2.337 6.851 -0.785
248 HG13 VAL 34 3HG1 VAL 34 3.220 5.941 0.441
249 HG21 VAL 34 3HG2 VAL 34 2.960 4.731 -1.711
250 HG22 VAL 34 1HG2 VAL 34 3.731 5.376 -3.160
251 HG23 VAL 34 2HG2 VAL 34 4.643 4.338 -2.064
252 H HIS 35 H HIS 35 4.380 6.685 -4.680
253 HA HIS 35 HA HIS 35 7.127 5.821 -4.988
254 HB2 HIS 35 1HB HIS 35 4.688 5.677 -6.751
255 HB3 HIS 35 2HB HIS 35 6.285 5.216 -7.334
256 HD1 HIS 35 HD1 HIS 35 7.462 3.237 -5.873
257 HD2 HIS 35 HD2 HIS 35 3.351 3.687 -5.476
258 HE1 HIS 35 HE1 HIS 35 6.642 1.076 -4.883
259 H THR 36 H THR 36 5.148 8.526 -5.857
260 HA THR 36 HA THR 36 7.262 9.564 -7.617
261 HB THR 36 HB THR 36 5.148 9.580 -8.734
262 HG1 THR 36 HG1 THR 36 5.984 11.455 -9.341
263 HG21 THR 36 3HG2 THR 36 3.688 9.404 -6.785
264 HG22 THR 36 1HG2 THR 36 3.180 10.735 -7.824
265 HG23 THR 36 2HG2 THR 36 4.067 11.067 -6.336
266 H GLY 37 H GLY 37 8.623 10.988 -6.767
267 HA2 GLY 37 1HA GLY 37 7.953 13.335 -5.474
268 HA3 GLY 37 2HA GLY 37 8.208 12.153 -4.199
269 H GLU 38 H GLU 38 10.051 13.020 -3.338
270 HA GLU 38 HA GLU 38 12.296 13.677 -5.042
271 HB2 GLU 38 1HB GLU 38 11.919 13.732 -2.048
272 HB3 GLU 38 2HB GLU 38 13.428 14.166 -2.839
273 HG2 GLU 38 1HG GLU 38 12.302 15.968 -4.027
274 HG3 GLU 38 2HG GLU 38 10.776 15.526 -3.264
275 H LYS 39 H LYS 39 12.780 11.649 -5.964
276 HA LYS 39 HA LYS 39 13.123 9.217 -4.809
277 HB2 LYS 39 1HB LYS 39 14.497 10.616 -7.047
278 HB3 LYS 39 2HB LYS 39 15.226 9.127 -6.458
279 HG2 LYS 39 1HG LYS 39 12.350 9.344 -7.311
280 HG3 LYS 39 2HG LYS 39 13.661 8.860 -8.389
281 HD2 LYS 39 1HD LYS 39 14.189 6.997 -6.855
282 HD3 LYS 39 2HD LYS 39 12.814 7.463 -5.851
283 HE2 LYS 39 1HE LYS 39 11.404 7.196 -7.959
284 HE3 LYS 39 2HE LYS 39 12.805 6.384 -8.656
285 HZ1 LYS 39 3HZ LYS 39 12.054 4.542 -7.707
286 HZ2 LYS 39 1HZ LYS 39 10.870 5.378 -6.834
287 HZ3 LYS 39 2HZ LYS 39 12.429 5.211 -6.199
288 H LEU 40 H LEU 40 15.506 11.849 -4.830
289 HA LEU 40 HA LEU 40 17.708 10.757 -3.744
290 HB2 LEU 40 1HB LEU 40 18.214 12.852 -2.714
291 HB3 LEU 40 2HB LEU 40 17.375 13.162 -4.232
292 HG LEU 40 HG LEU 40 15.279 13.285 -2.598
293 HD11 LEU 40 1HD1 LEU 40 15.739 14.098 -0.461
294 HD12 LEU 40 2HD1 LEU 40 17.429 14.422 -0.845
295 HD13 LEU 40 3HD1 LEU 40 16.871 12.760 -0.660
296 HD21 LEU 40 3HD2 LEU 40 15.428 15.205 -3.744
297 HD22 LEU 40 1HD2 LEU 40 17.190 15.231 -3.661
298 HD23 LEU 40 2HD2 LEU 40 16.235 15.822 -2.301
299 H SER 41 H SER 41 18.418 9.944 -1.834
300 HA SER 41 HA SER 41 16.478 9.820 0.381
301 HB2 SER 41 1HB SER 41 17.362 7.548 0.891
302 HB3 SER 41 2HB SER 41 16.567 7.636 -0.681
303 HG SER 41 HG SER 41 19.270 7.314 -0.060
304 H GLY 42 H GLY 42 18.314 11.844 0.278
305 HA2 GLY 42 1HA GLY 42 20.185 11.055 2.421
306 HA3 GLY 42 2HA GLY 42 20.708 12.081 1.094
307 HA PRO 43 HA PRO 43 17.626 14.579 3.916
308 HB2 PRO 43 1HB PRO 43 17.469 13.664 6.467
309 HB3 PRO 43 2HB PRO 43 16.360 13.147 5.192
310 HG2 PRO 43 1HG PRO 43 18.783 11.760 6.273
311 HG3 PRO 43 2HG PRO 43 17.195 11.083 5.864
312 HD2 PRO 43 1HD PRO 43 19.337 10.867 4.222
313 HD3 PRO 43 2HD PRO 43 17.674 10.990 3.612
314 H SER 44 H SER 44 18.045 15.927 5.972
315 HA SER 44 HA SER 44 20.835 16.644 5.960
316 HB2 SER 44 1HB SER 44 20.141 18.525 7.371
317 HB3 SER 44 2HB SER 44 19.076 18.374 5.973
318 HG SER 44 HG SER 44 18.429 17.136 8.420
319 H SER 45 H SER 45 18.930 14.531 7.751
320 HA SER 45 HA SER 45 21.010 14.355 9.815
321 HB2 SER 45 1HB SER 45 19.232 13.894 11.513
322 HB3 SER 45 2HB SER 45 19.187 15.539 10.879
323 HG SER 45 HG SER 45 17.355 13.495 10.628
324 H GLY 46 H GLY 46 21.911 12.422 9.571
325 HA2 GLY 46 1HA GLY 46 20.563 10.241 8.296
326 HA3 GLY 46 2HA GLY 46 22.164 10.197 9.017
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 15.188 -14.113 -2.995
2 HA2 GLY 1 1HA GLY 1 12.654 -13.786 -4.297
3 HA3 GLY 1 2HA GLY 1 13.027 -14.926 -3.013
4 H SER 2 H SER 2 10.705 -14.123 -2.565
5 HA SER 2 HA SER 2 10.861 -12.373 -0.298
6 HB2 SER 2 1HB SER 2 9.393 -11.476 -2.783
7 HB3 SER 2 2HB SER 2 9.082 -10.802 -1.183
8 HG SER 2 HG SER 2 10.604 -9.484 -1.950
9 H SER 3 H SER 3 8.681 -12.116 0.746
10 HA SER 3 HA SER 3 7.409 -14.670 0.871
11 HB2 SER 3 1HB SER 3 6.546 -12.067 2.154
12 HB3 SER 3 2HB SER 3 6.030 -13.688 2.620
13 HG SER 3 HG SER 3 7.898 -14.024 3.586
14 H GLY 4 H GLY 4 5.160 -15.112 0.526
15 HA2 GLY 4 1HA GLY 4 3.841 -13.268 -1.362
16 HA3 GLY 4 2HA GLY 4 3.966 -14.984 -1.723
17 H SER 5 H SER 5 1.538 -14.453 -1.863
18 HA SER 5 HA SER 5 0.048 -14.072 0.505
19 HB2 SER 5 1HB SER 5 -0.592 -15.013 -2.265
20 HB3 SER 5 2HB SER 5 -1.800 -15.202 -0.993
21 HG SER 5 HG SER 5 -0.555 -12.721 -1.210
22 H SER 6 H SER 6 -0.032 -15.411 2.173
23 HA SER 6 HA SER 6 0.499 -18.246 1.817
24 HB2 SER 6 1HB SER 6 1.578 -17.055 3.679
25 HB3 SER 6 2HB SER 6 -0.005 -16.644 4.338
26 HG SER 6 HG SER 6 -0.374 -18.792 4.763
27 H GLY 7 H GLY 7 -2.051 -16.261 3.334
28 HA2 GLY 7 1HA GLY 7 -3.840 -18.556 3.383
29 HA3 GLY 7 2HA GLY 7 -4.166 -16.963 4.051
30 H SER 8 H SER 8 -4.869 -15.285 2.644
31 HA SER 8 HA SER 8 -5.459 -15.864 -0.110
32 HB2 SER 8 1HB SER 8 -7.325 -17.045 0.880
33 HB3 SER 8 2HB SER 8 -7.712 -15.660 1.901
34 HG SER 8 HG SER 8 -8.608 -14.666 0.244
35 H GLY 9 H GLY 9 -5.724 -14.029 -1.294
36 HA2 GLY 9 1HA GLY 9 -6.647 -11.560 -0.261
37 HA3 GLY 9 2HA GLY 9 -4.889 -11.577 -0.266
38 H GLU 10 H GLU 10 -7.454 -10.557 -1.969
39 HA GLU 10 HA GLU 10 -5.888 -10.250 -4.380
40 HB2 GLU 10 1HB GLU 10 -7.513 -11.222 -5.883
41 HB3 GLU 10 2HB GLU 10 -7.015 -12.432 -4.708
42 HG2 GLU 10 1HG GLU 10 -9.103 -11.738 -3.397
43 HG3 GLU 10 2HG GLU 10 -9.613 -10.957 -4.893
44 H LYS 11 H LYS 11 -6.745 -8.661 -5.821
45 HA LYS 11 HA LYS 11 -9.121 -7.204 -5.059
46 HB2 LYS 11 1HB LYS 11 -6.374 -5.974 -4.815
47 HB3 LYS 11 2HB LYS 11 -7.856 -5.029 -4.890
48 HG2 LYS 11 1HG LYS 11 -8.527 -6.639 -2.889
49 HG3 LYS 11 2HG LYS 11 -6.773 -6.700 -2.698
50 HD2 LYS 11 1HD LYS 11 -6.785 -4.186 -2.731
51 HD3 LYS 11 2HD LYS 11 -8.547 -4.263 -2.658
52 HE2 LYS 11 1HE LYS 11 -6.990 -5.804 -0.648
53 HE3 LYS 11 2HE LYS 11 -7.059 -4.051 -0.476
54 HZ1 LYS 11 3HZ LYS 11 -8.835 -5.395 0.698
55 HZ2 LYS 11 1HZ LYS 11 -9.501 -5.682 -0.831
56 HZ3 LYS 11 2HZ LYS 11 -9.371 -4.099 -0.249
57 HA PRO 12 HA PRO 12 -9.253 -6.329 -9.359
58 HB2 PRO 12 1HB PRO 12 -10.583 -3.963 -9.379
59 HB3 PRO 12 2HB PRO 12 -11.368 -5.502 -9.007
60 HG2 PRO 12 1HG PRO 12 -10.371 -3.384 -7.141
61 HG3 PRO 12 2HG PRO 12 -11.883 -4.308 -7.079
62 HD2 PRO 12 1HD PRO 12 -9.739 -4.917 -5.542
63 HD3 PRO 12 2HD PRO 12 -10.865 -6.151 -6.143
64 H TYR 13 H TYR 13 -8.476 -3.404 -7.464
65 HA TYR 13 HA TYR 13 -6.786 -2.438 -9.632
66 HB2 TYR 13 1HB TYR 13 -7.300 -1.088 -6.983
67 HB3 TYR 13 2HB TYR 13 -6.726 -0.352 -8.475
68 HD1 TYR 13 HD1 TYR 13 -8.292 -0.066 -10.389
69 HD2 TYR 13 HD2 TYR 13 -9.624 -1.392 -6.572
70 HE1 TYR 13 HE1 TYR 13 -10.606 0.493 -11.009
71 HE2 TYR 13 HE2 TYR 13 -11.942 -0.838 -7.181
72 HH TYR 13 HH TYR 13 -12.730 0.504 -10.376
73 H LYS 14 H LYS 14 -4.609 -2.381 -9.594
74 HA LYS 14 HA LYS 14 -3.209 -3.030 -7.103
75 HB2 LYS 14 1HB LYS 14 -2.798 -4.449 -9.741
76 HB3 LYS 14 2HB LYS 14 -1.729 -4.602 -8.353
77 HG2 LYS 14 1HG LYS 14 -3.224 -5.860 -7.162
78 HG3 LYS 14 2HG LYS 14 -4.625 -5.180 -7.993
79 HD2 LYS 14 1HD LYS 14 -3.849 -6.396 -10.058
80 HD3 LYS 14 2HD LYS 14 -2.668 -7.219 -9.037
81 HE2 LYS 14 1HE LYS 14 -4.807 -7.725 -7.576
82 HE3 LYS 14 2HE LYS 14 -5.633 -7.478 -9.114
83 HZ1 LYS 14 3HZ LYS 14 -3.303 -9.216 -9.172
84 HZ2 LYS 14 1HZ LYS 14 -4.785 -9.362 -9.976
85 HZ3 LYS 14 2HZ LYS 14 -4.655 -9.818 -8.352
86 H CYS 15 H CYS 15 -1.139 -2.185 -6.932
87 HA CYS 15 HA CYS 15 -0.618 0.139 -8.503
88 HB2 CYS 15 1HB CYS 15 -0.044 -0.192 -6.049
89 HB3 CYS 15 2HB CYS 15 1.299 -1.193 -6.590
90 H VAL 16 H VAL 16 1.223 0.563 -9.807
91 HA VAL 16 HA VAL 16 2.214 -1.833 -11.189
92 HB VAL 16 HB VAL 16 1.008 -0.083 -12.523
93 HG11 VAL 16 1HG1 VAL 16 2.570 1.892 -13.137
94 HG12 VAL 16 2HG1 VAL 16 1.625 1.972 -11.648
95 HG13 VAL 16 3HG1 VAL 16 3.336 1.545 -11.587
96 HG21 VAL 16 3HG2 VAL 16 2.636 -1.706 -13.489
97 HG22 VAL 16 1HG2 VAL 16 2.502 -0.199 -14.395
98 HG23 VAL 16 2HG2 VAL 16 3.886 -0.471 -13.336
99 H GLU 17 H GLU 17 3.170 0.439 -8.938
100 HA GLU 17 HA GLU 17 5.954 0.546 -9.770
101 HB2 GLU 17 1HB GLU 17 4.446 1.752 -7.455
102 HB3 GLU 17 2HB GLU 17 6.193 1.865 -7.606
103 HG2 GLU 17 1HG GLU 17 4.248 2.856 -9.674
104 HG3 GLU 17 2HG GLU 17 4.966 3.861 -8.417
105 H CYS 18 H CYS 18 3.986 -0.853 -7.188
106 HA CYS 18 HA CYS 18 6.283 -2.554 -6.469
107 HB2 CYS 18 1HB CYS 18 5.298 -2.643 -4.165
108 HB3 CYS 18 2HB CYS 18 5.893 -1.054 -4.635
109 H GLY 19 H GLY 19 2.799 -2.316 -6.897
110 HA2 GLY 19 1HA GLY 19 1.658 -4.157 -7.990
111 HA3 GLY 19 2HA GLY 19 2.720 -5.257 -7.124
112 H LYS 20 H LYS 20 1.710 -2.712 -5.165
113 HA LYS 20 HA LYS 20 0.380 -4.313 -3.325
114 HB2 LYS 20 1HB LYS 20 1.283 -1.806 -3.248
115 HB3 LYS 20 2HB LYS 20 -0.414 -1.450 -3.538
116 HG2 LYS 20 1HG LYS 20 -0.458 -1.458 -1.280
117 HG3 LYS 20 2HG LYS 20 -0.708 -3.186 -1.543
118 HD2 LYS 20 1HD LYS 20 2.089 -2.197 -1.373
119 HD3 LYS 20 2HD LYS 20 1.148 -2.265 0.119
120 HE2 LYS 20 1HE LYS 20 1.620 -4.556 -1.787
121 HE3 LYS 20 2HE LYS 20 2.419 -4.324 -0.233
122 HZ1 LYS 20 3HZ LYS 20 0.008 -5.615 -0.732
123 HZ2 LYS 20 1HZ LYS 20 -0.370 -4.207 0.126
124 HZ3 LYS 20 2HZ LYS 20 0.732 -5.319 0.768
125 H GLY 21 H GLY 21 -1.914 -4.146 -2.638
126 HA2 GLY 21 1HA GLY 21 -3.699 -3.900 -4.981
127 HA3 GLY 21 2HA GLY 21 -3.856 -5.197 -3.806
128 H TYR 22 H TYR 22 -5.560 -2.799 -4.742
129 HA TYR 22 HA TYR 22 -6.341 -1.980 -2.028
130 HB2 TYR 22 1HB TYR 22 -6.012 -0.234 -4.463
131 HB3 TYR 22 2HB TYR 22 -7.001 0.250 -3.090
132 HD1 TYR 22 HD2 TYR 22 -3.553 -0.688 -4.084
133 HD2 TYR 22 HD1 TYR 22 -6.018 1.182 -1.163
134 HE1 TYR 22 HE2 TYR 22 -1.547 0.178 -2.954
135 HE2 TYR 22 HE1 TYR 22 -4.019 2.054 -0.026
136 HH TYR 22 HH TYR 22 -1.796 2.066 0.041
137 H LYS 23 H LYS 23 -8.537 -1.729 -1.665
138 HA LYS 23 HA LYS 23 -10.267 -3.331 -3.215
139 HB2 LYS 23 1HB LYS 23 -10.368 -2.518 -0.694
140 HB3 LYS 23 2HB LYS 23 -11.366 -1.245 -1.384
141 HG2 LYS 23 1HG LYS 23 -11.981 -4.076 -2.066
142 HG3 LYS 23 2HG LYS 23 -12.432 -3.457 -0.475
143 HD2 LYS 23 1HD LYS 23 -13.125 -1.816 -2.854
144 HD3 LYS 23 2HD LYS 23 -14.059 -3.286 -2.564
145 HE2 LYS 23 1HE LYS 23 -15.300 -1.825 -1.337
146 HE3 LYS 23 2HE LYS 23 -14.132 -2.298 -0.103
147 HZ1 LYS 23 3HZ LYS 23 -13.679 -0.148 0.095
148 HZ2 LYS 23 1HZ LYS 23 -14.573 0.256 -1.283
149 HZ3 LYS 23 2HZ LYS 23 -12.954 -0.210 -1.432
150 H ARG 24 H ARG 24 -9.828 0.171 -2.983
151 HA ARG 24 HA ARG 24 -11.512 0.456 -5.385
152 HB2 ARG 24 1HB ARG 24 -12.721 1.480 -3.616
153 HB3 ARG 24 2HB ARG 24 -11.275 2.250 -2.976
154 HG2 ARG 24 1HG ARG 24 -11.176 3.595 -5.094
155 HG3 ARG 24 2HG ARG 24 -12.769 2.945 -5.489
156 HD2 ARG 24 1HD ARG 24 -12.118 4.453 -2.961
157 HD3 ARG 24 2HD ARG 24 -12.827 5.183 -4.401
158 HE ARG 24 HE ARG 24 -14.165 3.573 -2.440
159 HH11 ARG 24 1HH1 ARG 24 -14.181 4.610 -5.764
160 HH12 ARG 24 2HH1 ARG 24 -15.881 4.353 -5.972
161 HH21 ARG 24 1HH2 ARG 24 -16.405 3.230 -2.702
162 HH22 ARG 24 2HH2 ARG 24 -17.146 3.569 -4.230
163 H ARG 25 H ARG 25 -10.770 1.756 -7.022
164 HA ARG 25 HA ARG 25 -8.044 2.005 -7.431
165 HB2 ARG 25 1HB ARG 25 -10.097 2.254 -9.057
166 HB3 ARG 25 2HB ARG 25 -9.910 3.966 -8.703
167 HG2 ARG 25 1HG ARG 25 -7.807 4.069 -9.693
168 HG3 ARG 25 2HG ARG 25 -7.583 2.320 -9.615
169 HD2 ARG 25 1HD ARG 25 -8.086 2.565 -11.833
170 HD3 ARG 25 2HD ARG 25 -9.701 2.312 -11.173
171 HE ARG 25 HE ARG 25 -8.923 5.077 -11.317
172 HH11 ARG 25 1HH1 ARG 25 -10.349 2.405 -13.033
173 HH12 ARG 25 2HH1 ARG 25 -11.228 3.412 -14.135
174 HH21 ARG 25 1HH2 ARG 25 -10.075 6.414 -12.762
175 HH22 ARG 25 2HH2 ARG 25 -11.071 5.693 -13.981
176 H LEU 26 H LEU 26 -10.291 4.691 -6.729
177 HA LEU 26 HA LEU 26 -8.699 6.810 -6.488
178 HB2 LEU 26 1HB LEU 26 -11.165 6.520 -5.811
179 HB3 LEU 26 2HB LEU 26 -10.534 6.183 -4.201
180 HG LEU 26 HG LEU 26 -11.275 8.498 -4.408
181 HD11 LEU 26 1HD1 LEU 26 -8.342 8.827 -4.316
182 HD12 LEU 26 2HD1 LEU 26 -9.040 7.644 -3.210
183 HD13 LEU 26 3HD1 LEU 26 -9.580 9.322 -3.162
184 HD21 LEU 26 3HD2 LEU 26 -9.062 8.948 -6.387
185 HD22 LEU 26 1HD2 LEU 26 -10.378 10.032 -5.936
186 HD23 LEU 26 2HD2 LEU 26 -10.713 8.589 -6.895
187 H ASP 27 H ASP 27 -9.000 4.338 -3.952
188 HA ASP 27 HA ASP 27 -7.250 5.450 -2.095
189 HB2 ASP 27 1HB ASP 27 -8.794 3.334 -1.972
190 HB3 ASP 27 2HB ASP 27 -7.346 2.483 -2.500
191 H LEU 28 H LEU 28 -6.512 2.914 -4.497
192 HA LEU 28 HA LEU 28 -3.765 2.814 -4.051
193 HB2 LEU 28 1HB LEU 28 -4.683 1.071 -5.303
194 HB3 LEU 28 2HB LEU 28 -5.482 2.174 -6.420
195 HG LEU 28 HG LEU 28 -2.951 2.784 -6.995
196 HD11 LEU 28 1HD1 LEU 28 -2.256 1.047 -5.230
197 HD12 LEU 28 2HD1 LEU 28 -1.445 1.024 -6.796
198 HD13 LEU 28 3HD1 LEU 28 -2.713 -0.151 -6.442
199 HD21 LEU 28 3HD2 LEU 28 -4.055 2.172 -8.857
200 HD22 LEU 28 1HD2 LEU 28 -4.903 0.854 -8.048
201 HD23 LEU 28 2HD2 LEU 28 -3.244 0.626 -8.603
202 H ASP 29 H ASP 29 -5.599 4.738 -6.408
203 HA ASP 29 HA ASP 29 -3.553 5.945 -7.783
204 HB2 ASP 29 1HB ASP 29 -5.990 6.235 -8.243
205 HB3 ASP 29 2HB ASP 29 -6.079 7.336 -6.871
206 H PHE 30 H PHE 30 -4.639 6.572 -4.527
207 HA PHE 30 HA PHE 30 -3.055 8.981 -4.268
208 HB2 PHE 30 1HB PHE 30 -5.315 8.292 -3.059
209 HB3 PHE 30 2HB PHE 30 -4.201 7.581 -1.896
210 HD1 PHE 30 HD1 PHE 30 -2.283 9.161 -1.079
211 HD2 PHE 30 HD2 PHE 30 -5.930 10.495 -2.821
212 HE1 PHE 30 HE1 PHE 30 -1.975 11.363 -0.026
213 HE2 PHE 30 HE2 PHE 30 -5.628 12.700 -1.772
214 HZ PHE 30 HZ PHE 30 -3.649 13.137 -0.374
215 H HIS 31 H HIS 31 -2.662 5.604 -3.787
216 HA HIS 31 HA HIS 31 -0.595 5.711 -1.830
217 HB2 HIS 31 1HB HIS 31 -1.540 3.615 -1.884
218 HB3 HIS 31 2HB HIS 31 -1.727 3.626 -3.635
219 HD1 HIS 31 HD1 HIS 31 0.947 3.147 -1.000
220 HD2 HIS 31 HD2 HIS 31 0.245 2.325 -5.012
221 HE1 HIS 31 HE1 HIS 31 2.853 1.678 -1.728
222 H GLN 32 H GLN 32 -0.624 5.468 -5.366
223 HA GLN 32 HA GLN 32 2.025 5.057 -5.910
224 HB2 GLN 32 1HB GLN 32 -0.006 6.772 -7.326
225 HB3 GLN 32 2HB GLN 32 1.613 6.523 -7.965
226 HG2 GLN 32 1HG GLN 32 1.245 4.267 -8.367
227 HG3 GLN 32 2HG GLN 32 -0.125 4.195 -7.259
228 HE21 GLN 32 1HE2 GLN 32 -1.824 3.663 -8.440
229 HE22 GLN 32 2HE2 GLN 32 -2.312 4.427 -9.910
230 H ARG 33 H ARG 33 0.563 7.865 -4.532
231 HA ARG 33 HA ARG 33 2.263 9.915 -5.152
232 HB2 ARG 33 1HB ARG 33 1.159 9.317 -2.401
233 HB3 ARG 33 2HB ARG 33 1.729 10.881 -2.968
234 HG2 ARG 33 1HG ARG 33 -0.432 9.540 -4.500
235 HG3 ARG 33 2HG ARG 33 -0.830 10.264 -2.941
236 HD2 ARG 33 1HD ARG 33 -1.213 12.006 -4.418
237 HD3 ARG 33 2HD ARG 33 0.425 12.333 -3.854
238 HE ARG 33 HE ARG 33 0.800 10.838 -6.089
239 HH11 ARG 33 1HH1 ARG 33 -0.974 13.752 -5.394
240 HH12 ARG 33 2HH1 ARG 33 -0.783 14.403 -6.988
241 HH21 ARG 33 1HH2 ARG 33 1.058 11.685 -8.191
242 HH22 ARG 33 2HH2 ARG 33 0.372 13.226 -8.578
243 H VAL 34 H VAL 34 2.759 7.421 -2.676
244 HA VAL 34 HA VAL 34 5.162 8.375 -1.623
245 HB VAL 34 HB VAL 34 5.526 6.194 -0.720
246 HG11 VAL 34 1HG1 VAL 34 2.573 6.109 -0.746
247 HG12 VAL 34 2HG1 VAL 34 3.699 6.124 0.613
248 HG13 VAL 34 3HG1 VAL 34 3.310 7.625 -0.228
249 HG21 VAL 34 3HG2 VAL 34 5.348 4.704 -2.495
250 HG22 VAL 34 1HG2 VAL 34 3.941 4.312 -1.507
251 HG23 VAL 34 2HG2 VAL 34 3.753 5.293 -2.960
252 H HIS 35 H HIS 35 4.525 6.364 -4.446
253 HA HIS 35 HA HIS 35 7.241 5.715 -4.973
254 HB2 HIS 35 1HB HIS 35 4.753 5.665 -6.677
255 HB3 HIS 35 2HB HIS 35 6.328 5.174 -7.292
256 HD1 HIS 35 HD1 HIS 35 7.493 3.247 -5.594
257 HD2 HIS 35 HD2 HIS 35 3.353 3.568 -5.728
258 HE1 HIS 35 HE1 HIS 35 6.620 1.058 -4.717
259 H THR 36 H THR 36 5.282 8.483 -5.593
260 HA THR 36 HA THR 36 7.326 9.576 -7.408
261 HB THR 36 HB THR 36 5.190 9.647 -8.467
262 HG1 THR 36 HG1 THR 36 5.851 12.194 -7.368
263 HG21 THR 36 3HG2 THR 36 3.828 9.379 -6.418
264 HG22 THR 36 1HG2 THR 36 3.220 10.652 -7.476
265 HG23 THR 36 2HG2 THR 36 4.130 11.071 -6.024
266 H GLY 37 H GLY 37 8.781 10.783 -6.378
267 HA2 GLY 37 1HA GLY 37 7.823 12.549 -4.209
268 HA3 GLY 37 2HA GLY 37 9.398 11.770 -4.186
269 H GLU 38 H GLU 38 7.630 13.582 -6.693
270 HA GLU 38 HA GLU 38 9.749 14.772 -7.928
271 HB2 GLU 38 1HB GLU 38 8.221 16.546 -8.641
272 HB3 GLU 38 2HB GLU 38 7.445 14.971 -8.727
273 HG2 GLU 38 1HG GLU 38 6.472 15.505 -6.438
274 HG3 GLU 38 2HG GLU 38 6.998 17.161 -6.731
275 H LYS 39 H LYS 39 11.425 15.702 -6.938
276 HA LYS 39 HA LYS 39 12.588 16.863 -5.300
277 HB2 LYS 39 1HB LYS 39 12.358 19.246 -5.651
278 HB3 LYS 39 2HB LYS 39 12.209 18.415 -7.193
279 HG2 LYS 39 1HG LYS 39 9.708 18.987 -5.714
280 HG3 LYS 39 2HG LYS 39 10.556 20.351 -6.446
281 HD2 LYS 39 1HD LYS 39 10.636 18.765 -8.539
282 HD3 LYS 39 2HD LYS 39 9.261 17.996 -7.742
283 HE2 LYS 39 1HE LYS 39 8.408 19.637 -9.252
284 HE3 LYS 39 2HE LYS 39 8.179 20.242 -7.612
285 HZ1 LYS 39 3HZ LYS 39 9.352 21.599 -9.644
286 HZ2 LYS 39 1HZ LYS 39 10.684 21.034 -8.767
287 HZ3 LYS 39 2HZ LYS 39 9.504 21.973 -8.002
288 H LEU 40 H LEU 40 10.725 15.478 -3.921
289 HA LEU 40 HA LEU 40 9.134 17.254 -2.289
290 HB2 LEU 40 1HB LEU 40 8.080 15.222 -2.616
291 HB3 LEU 40 2HB LEU 40 9.573 14.303 -2.425
292 HG LEU 40 HG LEU 40 9.505 14.782 0.005
293 HD11 LEU 40 1HD1 LEU 40 7.748 16.770 -0.670
294 HD12 LEU 40 2HD1 LEU 40 8.029 16.158 0.960
295 HD13 LEU 40 3HD1 LEU 40 6.686 15.532 0.003
296 HD21 LEU 40 3HD2 LEU 40 8.465 12.747 -1.135
297 HD22 LEU 40 1HD2 LEU 40 6.912 13.536 -0.855
298 HD23 LEU 40 2HD2 LEU 40 7.943 13.110 0.511
299 H SER 41 H SER 41 9.384 17.550 -0.037
300 HA SER 41 HA SER 41 11.964 18.125 0.829
301 HB2 SER 41 1HB SER 41 10.956 18.338 3.094
302 HB3 SER 41 2HB SER 41 10.015 19.163 1.851
303 HG SER 41 HG SER 41 9.452 16.755 3.202
304 H GLY 42 H GLY 42 12.622 17.170 3.172
305 HA2 GLY 42 1HA GLY 42 12.393 14.273 3.247
306 HA3 GLY 42 2HA GLY 42 13.996 14.893 2.880
307 HA PRO 43 HA PRO 43 14.905 15.482 7.122
308 HB2 PRO 43 1HB PRO 43 16.083 17.927 7.215
309 HB3 PRO 43 2HB PRO 43 16.865 16.510 6.504
310 HG2 PRO 43 1HG PRO 43 15.415 18.753 5.151
311 HG3 PRO 43 2HG PRO 43 16.936 17.965 4.691
312 HD2 PRO 43 1HD PRO 43 14.575 17.378 3.503
313 HD3 PRO 43 2HD PRO 43 15.861 16.173 3.719
314 H SER 44 H SER 44 12.747 15.562 7.927
315 HA SER 44 HA SER 44 12.130 17.920 9.366
316 HB2 SER 44 1HB SER 44 11.355 18.510 7.008
317 HB3 SER 44 2HB SER 44 10.113 17.275 7.213
318 HG SER 44 HG SER 44 10.124 19.794 8.103
319 H SER 45 H SER 45 9.836 17.705 10.367
320 HA SER 45 HA SER 45 9.693 15.542 11.990
321 HB2 SER 45 1HB SER 45 7.577 17.383 10.938
322 HB3 SER 45 2HB SER 45 7.101 16.007 11.934
323 HG SER 45 HG SER 45 9.214 17.380 12.976
324 H GLY 46 H GLY 46 7.514 15.854 9.176
325 HA2 GLY 46 1HA GLY 46 6.303 14.173 8.115
326 HA3 GLY 46 2HA GLY 46 7.937 13.622 7.772
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 12.777 -21.673 8.777
2 HA2 GLY 1 1HA GLY 1 12.168 -19.841 7.521
3 HA3 GLY 1 2HA GLY 1 13.418 -20.286 6.368
4 H SER 2 H SER 2 10.065 -20.674 7.270
5 HA SER 2 HA SER 2 9.346 -21.176 4.530
6 HB2 SER 2 1HB SER 2 9.988 -23.447 5.621
7 HB3 SER 2 2HB SER 2 8.456 -23.286 6.478
8 HG SER 2 HG SER 2 7.830 -24.284 4.687
9 H SER 3 H SER 3 7.137 -20.866 4.121
10 HA SER 3 HA SER 3 5.296 -20.384 6.284
11 HB2 SER 3 1HB SER 3 4.848 -18.036 5.726
12 HB3 SER 3 2HB SER 3 6.525 -18.248 6.228
13 HG SER 3 HG SER 3 5.764 -18.316 3.508
14 H GLY 4 H GLY 4 3.286 -20.870 5.651
15 HA2 GLY 4 1HA GLY 4 2.828 -21.693 2.938
16 HA3 GLY 4 2HA GLY 4 1.661 -21.733 4.252
17 H SER 5 H SER 5 0.627 -19.682 4.842
18 HA SER 5 HA SER 5 0.738 -17.517 2.936
19 HB2 SER 5 1HB SER 5 -1.696 -19.300 3.129
20 HB3 SER 5 2HB SER 5 -1.732 -17.682 2.428
21 HG SER 5 HG SER 5 -1.138 -18.653 0.667
22 H SER 6 H SER 6 0.486 -15.694 4.032
23 HA SER 6 HA SER 6 -1.075 -15.766 6.532
24 HB2 SER 6 1HB SER 6 1.413 -15.437 6.796
25 HB3 SER 6 2HB SER 6 1.235 -13.907 5.937
26 HG SER 6 HG SER 6 0.879 -14.356 8.505
27 H GLY 7 H GLY 7 -3.002 -15.139 5.507
28 HA2 GLY 7 1HA GLY 7 -4.576 -13.562 4.932
29 HA3 GLY 7 2HA GLY 7 -3.382 -12.328 5.305
30 H SER 8 H SER 8 -4.352 -14.645 2.805
31 HA SER 8 HA SER 8 -3.053 -12.939 0.795
32 HB2 SER 8 1HB SER 8 -3.310 -14.906 -0.719
33 HB3 SER 8 2HB SER 8 -2.327 -15.251 0.704
34 HG SER 8 HG SER 8 -5.043 -15.734 0.955
35 H GLY 9 H GLY 9 -4.452 -11.406 0.160
36 HA2 GLY 9 1HA GLY 9 -7.170 -12.286 -0.599
37 HA3 GLY 9 2HA GLY 9 -6.827 -10.701 0.077
38 H GLU 10 H GLU 10 -8.078 -11.494 -2.488
39 HA GLU 10 HA GLU 10 -6.135 -10.382 -4.390
40 HB2 GLU 10 1HB GLU 10 -8.700 -11.913 -4.835
41 HB3 GLU 10 2HB GLU 10 -7.748 -11.199 -6.128
42 HG2 GLU 10 1HG GLU 10 -6.051 -12.725 -5.913
43 HG3 GLU 10 2HG GLU 10 -6.426 -13.066 -4.225
44 H LYS 11 H LYS 11 -6.684 -8.646 -5.733
45 HA LYS 11 HA LYS 11 -9.177 -7.227 -5.160
46 HB2 LYS 11 1HB LYS 11 -6.402 -6.103 -4.812
47 HB3 LYS 11 2HB LYS 11 -7.805 -5.071 -5.060
48 HG2 LYS 11 1HG LYS 11 -8.662 -5.497 -2.992
49 HG3 LYS 11 2HG LYS 11 -7.937 -7.104 -2.901
50 HD2 LYS 11 1HD LYS 11 -5.795 -6.202 -2.403
51 HD3 LYS 11 2HD LYS 11 -6.323 -4.563 -2.795
52 HE2 LYS 11 1HE LYS 11 -7.697 -4.450 -0.868
53 HE3 LYS 11 2HE LYS 11 -7.540 -6.181 -0.568
54 HZ1 LYS 11 3HZ LYS 11 -5.601 -5.898 0.481
55 HZ2 LYS 11 1HZ LYS 11 -6.066 -4.278 0.629
56 HZ3 LYS 11 2HZ LYS 11 -5.035 -4.751 -0.626
57 HA PRO 12 HA PRO 12 -9.218 -6.400 -9.470
58 HB2 PRO 12 1HB PRO 12 -10.482 -3.999 -9.545
59 HB3 PRO 12 2HB PRO 12 -11.314 -5.511 -9.163
60 HG2 PRO 12 1HG PRO 12 -10.289 -3.395 -7.311
61 HG3 PRO 12 2HG PRO 12 -11.826 -4.276 -7.261
62 HD2 PRO 12 1HD PRO 12 -9.724 -4.923 -5.681
63 HD3 PRO 12 2HD PRO 12 -10.874 -6.134 -6.284
64 H TYR 13 H TYR 13 -8.401 -3.462 -7.612
65 HA TYR 13 HA TYR 13 -6.651 -2.574 -9.763
66 HB2 TYR 13 1HB TYR 13 -7.171 -1.183 -7.136
67 HB3 TYR 13 2HB TYR 13 -6.542 -0.478 -8.621
68 HD1 TYR 13 HD1 TYR 13 -8.059 -0.172 -10.575
69 HD2 TYR 13 HD2 TYR 13 -9.510 -1.401 -6.769
70 HE1 TYR 13 HE1 TYR 13 -10.341 0.451 -11.250
71 HE2 TYR 13 HE2 TYR 13 -11.796 -0.782 -7.433
72 HH TYR 13 HH TYR 13 -12.476 0.541 -10.661
73 H LYS 14 H LYS 14 -4.458 -2.442 -9.647
74 HA LYS 14 HA LYS 14 -3.117 -3.143 -7.148
75 HB2 LYS 14 1HB LYS 14 -2.692 -4.605 -9.760
76 HB3 LYS 14 2HB LYS 14 -1.653 -4.765 -8.350
77 HG2 LYS 14 1HG LYS 14 -3.201 -5.971 -7.172
78 HG3 LYS 14 2HG LYS 14 -4.569 -5.273 -8.042
79 HD2 LYS 14 1HD LYS 14 -3.900 -6.552 -10.048
80 HD3 LYS 14 2HD LYS 14 -2.599 -7.295 -9.113
81 HE2 LYS 14 1HE LYS 14 -4.618 -7.870 -7.488
82 HE3 LYS 14 2HE LYS 14 -5.534 -7.739 -8.988
83 HZ1 LYS 14 3HZ LYS 14 -3.219 -9.531 -8.495
84 HZ2 LYS 14 1HZ LYS 14 -4.010 -9.364 -9.981
85 HZ3 LYS 14 2HZ LYS 14 -4.837 -10.000 -8.649
86 H CYS 15 H CYS 15 -1.198 -2.124 -6.863
87 HA CYS 15 HA CYS 15 -0.561 0.101 -8.456
88 HB2 CYS 15 1HB CYS 15 0.015 -0.229 -6.019
89 HB3 CYS 15 2HB CYS 15 1.311 -1.300 -6.542
90 H VAL 16 H VAL 16 1.374 0.515 -9.681
91 HA VAL 16 HA VAL 16 2.269 -1.869 -11.149
92 HB VAL 16 HB VAL 16 1.165 -0.075 -12.468
93 HG11 VAL 16 1HG1 VAL 16 2.275 2.033 -12.844
94 HG12 VAL 16 2HG1 VAL 16 2.004 1.820 -11.113
95 HG13 VAL 16 3HG1 VAL 16 3.609 1.557 -11.794
96 HG21 VAL 16 3HG2 VAL 16 2.802 -1.625 -13.474
97 HG22 VAL 16 1HG2 VAL 16 2.786 -0.048 -14.264
98 HG23 VAL 16 2HG2 VAL 16 4.081 -0.458 -13.140
99 H GLU 17 H GLU 17 3.306 0.520 -8.959
100 HA GLU 17 HA GLU 17 6.089 0.470 -9.707
101 HB2 GLU 17 1HB GLU 17 4.617 1.622 -7.340
102 HB3 GLU 17 2HB GLU 17 6.364 1.710 -7.510
103 HG2 GLU 17 1HG GLU 17 4.457 2.780 -9.570
104 HG3 GLU 17 2HG GLU 17 5.085 3.744 -8.234
105 H CYS 18 H CYS 18 4.142 -0.820 -7.027
106 HA CYS 18 HA CYS 18 6.367 -2.651 -6.406
107 HB2 CYS 18 1HB CYS 18 5.308 -2.798 -4.119
108 HB3 CYS 18 2HB CYS 18 6.003 -1.231 -4.520
109 H GLY 19 H GLY 19 2.876 -2.343 -6.799
110 HA2 GLY 19 1HA GLY 19 1.717 -4.127 -7.981
111 HA3 GLY 19 2HA GLY 19 2.757 -5.272 -7.147
112 H LYS 20 H LYS 20 1.689 -2.714 -5.185
113 HA LYS 20 HA LYS 20 0.364 -4.362 -3.364
114 HB2 LYS 20 1HB LYS 20 1.242 -1.811 -3.302
115 HB3 LYS 20 2HB LYS 20 -0.484 -1.525 -3.483
116 HG2 LYS 20 1HG LYS 20 -0.385 -1.584 -1.225
117 HG3 LYS 20 2HG LYS 20 -0.586 -3.313 -1.518
118 HD2 LYS 20 1HD LYS 20 2.169 -2.177 -1.458
119 HD3 LYS 20 2HD LYS 20 1.313 -2.410 0.068
120 HE2 LYS 20 1HE LYS 20 0.834 -4.788 -0.908
121 HE3 LYS 20 2HE LYS 20 2.226 -4.434 -1.930
122 HZ1 LYS 20 3HZ LYS 20 2.337 -5.471 0.567
123 HZ2 LYS 20 1HZ LYS 20 2.667 -3.835 0.845
124 HZ3 LYS 20 2HZ LYS 20 3.623 -4.719 -0.235
125 H GLY 21 H GLY 21 -1.998 -3.786 -2.643
126 HA2 GLY 21 1HA GLY 21 -3.735 -3.643 -5.020
127 HA3 GLY 21 2HA GLY 21 -3.926 -4.955 -3.866
128 H TYR 22 H TYR 22 -5.672 -2.638 -4.754
129 HA TYR 22 HA TYR 22 -6.446 -1.822 -2.046
130 HB2 TYR 22 1HB TYR 22 -6.083 0.009 -4.419
131 HB3 TYR 22 2HB TYR 22 -7.003 0.461 -2.988
132 HD1 TYR 22 HD2 TYR 22 -3.627 -0.649 -4.089
133 HD2 TYR 22 HD1 TYR 22 -5.919 1.371 -1.127
134 HE1 TYR 22 HE2 TYR 22 -1.552 0.094 -2.998
135 HE2 TYR 22 HE1 TYR 22 -3.850 2.121 -0.029
136 HH TYR 22 HH TYR 22 -1.478 1.413 0.110
137 H LYS 23 H LYS 23 -8.540 -2.123 -1.659
138 HA LYS 23 HA LYS 23 -10.271 -3.418 -3.364
139 HB2 LYS 23 1HB LYS 23 -10.442 -2.907 -0.814
140 HB3 LYS 23 2HB LYS 23 -11.326 -1.478 -1.332
141 HG2 LYS 23 1HG LYS 23 -12.799 -3.097 -2.656
142 HG3 LYS 23 2HG LYS 23 -12.062 -4.362 -1.669
143 HD2 LYS 23 1HD LYS 23 -13.953 -3.840 -0.446
144 HD3 LYS 23 2HD LYS 23 -12.732 -2.822 0.322
145 HE2 LYS 23 1HE LYS 23 -13.487 -0.896 -0.868
146 HE3 LYS 23 2HE LYS 23 -14.542 -1.870 -1.890
147 HZ1 LYS 23 3HZ LYS 23 -14.856 -1.309 1.004
148 HZ2 LYS 23 1HZ LYS 23 -15.767 -2.473 0.182
149 HZ3 LYS 23 2HZ LYS 23 -15.886 -0.844 -0.254
150 H ARG 24 H ARG 24 -9.728 0.033 -2.993
151 HA ARG 24 HA ARG 24 -11.553 0.499 -5.259
152 HB2 ARG 24 1HB ARG 24 -12.526 1.543 -3.349
153 HB3 ARG 24 2HB ARG 24 -10.983 2.225 -2.853
154 HG2 ARG 24 1HG ARG 24 -10.993 3.736 -4.727
155 HG3 ARG 24 2HG ARG 24 -12.461 2.989 -5.362
156 HD2 ARG 24 1HD ARG 24 -12.512 4.053 -2.587
157 HD3 ARG 24 2HD ARG 24 -12.529 5.208 -3.919
158 HE ARG 24 HE ARG 24 -14.645 3.394 -3.155
159 HH11 ARG 24 1HH1 ARG 24 -13.331 5.446 -5.641
160 HH12 ARG 24 2HH1 ARG 24 -14.843 5.638 -6.464
161 HH21 ARG 24 1HH2 ARG 24 -16.642 3.639 -4.230
162 HH22 ARG 24 2HH2 ARG 24 -16.726 4.611 -5.660
163 H ARG 25 H ARG 25 -10.923 2.040 -6.814
164 HA ARG 25 HA ARG 25 -8.147 2.076 -7.383
165 HB2 ARG 25 1HB ARG 25 -9.824 2.090 -9.158
166 HB3 ARG 25 2HB ARG 25 -10.411 3.656 -8.614
167 HG2 ARG 25 1HG ARG 25 -8.576 4.781 -9.436
168 HG3 ARG 25 2HG ARG 25 -7.552 3.344 -9.407
169 HD2 ARG 25 1HD ARG 25 -8.661 2.426 -11.308
170 HD3 ARG 25 2HD ARG 25 -9.912 3.667 -11.249
171 HE ARG 25 HE ARG 25 -7.357 4.843 -11.572
172 HH11 ARG 25 1HH1 ARG 25 -9.798 3.062 -13.300
173 HH12 ARG 25 2HH1 ARG 25 -9.364 3.713 -14.846
174 HH21 ARG 25 1HH2 ARG 25 -6.776 5.707 -13.602
175 HH22 ARG 25 2HH2 ARG 25 -7.645 5.216 -15.017
176 H LEU 26 H LEU 26 -10.415 4.638 -6.404
177 HA LEU 26 HA LEU 26 -8.756 6.814 -6.395
178 HB2 LEU 26 1HB LEU 26 -11.250 6.560 -5.732
179 HB3 LEU 26 2HB LEU 26 -10.620 6.351 -4.100
180 HG LEU 26 HG LEU 26 -11.351 8.642 -4.478
181 HD11 LEU 26 1HD1 LEU 26 -9.656 9.533 -3.295
182 HD12 LEU 26 2HD1 LEU 26 -8.431 9.020 -4.455
183 HD13 LEU 26 3HD1 LEU 26 -9.066 7.871 -3.278
184 HD21 LEU 26 3HD2 LEU 26 -11.046 9.650 -6.429
185 HD22 LEU 26 1HD2 LEU 26 -10.119 8.265 -7.005
186 HD23 LEU 26 2HD2 LEU 26 -9.298 9.599 -6.193
187 H ASP 27 H ASP 27 -9.042 4.321 -3.903
188 HA ASP 27 HA ASP 27 -7.368 5.491 -1.985
189 HB2 ASP 27 1HB ASP 27 -8.897 3.324 -1.942
190 HB3 ASP 27 2HB ASP 27 -7.374 2.525 -2.324
191 H LEU 28 H LEU 28 -6.602 3.095 -4.506
192 HA LEU 28 HA LEU 28 -3.851 2.940 -3.964
193 HB2 LEU 28 1HB LEU 28 -4.740 1.220 -5.267
194 HB3 LEU 28 2HB LEU 28 -5.527 2.343 -6.374
195 HG LEU 28 HG LEU 28 -2.993 2.976 -6.902
196 HD11 LEU 28 1HD1 LEU 28 -1.471 1.558 -6.144
197 HD12 LEU 28 2HD1 LEU 28 -2.330 0.202 -6.874
198 HD13 LEU 28 3HD1 LEU 28 -2.727 0.717 -5.235
199 HD21 LEU 28 3HD2 LEU 28 -4.552 0.644 -8.005
200 HD22 LEU 28 1HD2 LEU 28 -3.111 1.322 -8.765
201 HD23 LEU 28 2HD2 LEU 28 -4.561 2.311 -8.583
202 H ASP 29 H ASP 29 -5.664 4.941 -6.266
203 HA ASP 29 HA ASP 29 -3.634 6.167 -7.633
204 HB2 ASP 29 1HB ASP 29 -6.062 6.538 -8.028
205 HB3 ASP 29 2HB ASP 29 -6.111 7.559 -6.593
206 H PHE 30 H PHE 30 -4.682 6.768 -4.343
207 HA PHE 30 HA PHE 30 -3.025 9.105 -4.028
208 HB2 PHE 30 1HB PHE 30 -5.244 8.451 -2.779
209 HB3 PHE 30 2HB PHE 30 -4.150 7.580 -1.710
210 HD1 PHE 30 HD1 PHE 30 -2.129 8.963 -0.803
211 HD2 PHE 30 HD2 PHE 30 -5.711 10.663 -2.351
212 HE1 PHE 30 HE1 PHE 30 -1.666 11.046 0.422
213 HE2 PHE 30 HE2 PHE 30 -5.253 12.748 -1.129
214 HZ PHE 30 HZ PHE 30 -3.228 12.942 0.260
215 H HIS 31 H HIS 31 -2.683 5.697 -3.642
216 HA HIS 31 HA HIS 31 -0.514 5.734 -1.795
217 HB2 HIS 31 1HB HIS 31 -1.501 3.659 -1.811
218 HB3 HIS 31 2HB HIS 31 -1.801 3.696 -3.546
219 HD1 HIS 31 HD1 HIS 31 0.903 2.940 -1.044
220 HD2 HIS 31 HD2 HIS 31 0.167 2.547 -5.114
221 HE1 HIS 31 HE1 HIS 31 2.753 1.480 -1.924
222 H GLN 32 H GLN 32 -0.688 5.308 -5.325
223 HA GLN 32 HA GLN 32 1.927 4.931 -5.966
224 HB2 GLN 32 1HB GLN 32 -0.172 6.582 -7.360
225 HB3 GLN 32 2HB GLN 32 1.420 6.314 -8.057
226 HG2 GLN 32 1HG GLN 32 1.046 4.049 -8.367
227 HG3 GLN 32 2HG GLN 32 -0.261 4.003 -7.185
228 HE21 GLN 32 1HE2 GLN 32 -1.783 3.124 -8.513
229 HE22 GLN 32 2HE2 GLN 32 -2.447 3.945 -9.879
230 H ARG 33 H ARG 33 0.520 7.771 -4.611
231 HA ARG 33 HA ARG 33 2.239 9.779 -5.401
232 HB2 ARG 33 1HB ARG 33 0.938 9.314 -2.715
233 HB3 ARG 33 2HB ARG 33 1.767 10.802 -3.150
234 HG2 ARG 33 1HG ARG 33 0.182 11.106 -5.015
235 HG3 ARG 33 2HG ARG 33 -0.677 9.658 -4.484
236 HD2 ARG 33 1HD ARG 33 -1.913 11.298 -3.456
237 HD3 ARG 33 2HD ARG 33 -0.750 10.913 -2.188
238 HE ARG 33 HE ARG 33 0.488 12.913 -3.446
239 HH11 ARG 33 1HH1 ARG 33 -2.807 12.577 -2.372
240 HH12 ARG 33 2HH1 ARG 33 -3.027 14.273 -2.095
241 HH21 ARG 33 1HH2 ARG 33 0.211 15.148 -3.084
242 HH22 ARG 33 2HH2 ARG 33 -1.310 15.734 -2.501
243 H VAL 34 H VAL 34 2.707 7.324 -2.907
244 HA VAL 34 HA VAL 34 5.050 8.311 -1.754
245 HB VAL 34 HB VAL 34 5.476 6.063 -0.961
246 HG11 VAL 34 1HG1 VAL 34 3.849 6.387 0.512
247 HG12 VAL 34 2HG1 VAL 34 3.037 7.466 -0.625
248 HG13 VAL 34 3HG1 VAL 34 2.670 5.741 -0.630
249 HG21 VAL 34 3HG2 VAL 34 3.613 5.303 -3.174
250 HG22 VAL 34 1HG2 VAL 34 5.185 4.624 -2.750
251 HG23 VAL 34 2HG2 VAL 34 3.773 4.269 -1.755
252 H HIS 35 H HIS 35 4.573 6.285 -4.608
253 HA HIS 35 HA HIS 35 7.343 5.802 -5.062
254 HB2 HIS 35 1HB HIS 35 4.949 5.590 -6.897
255 HB3 HIS 35 2HB HIS 35 6.573 5.061 -7.328
256 HD1 HIS 35 HD1 HIS 35 7.574 3.202 -5.517
257 HD2 HIS 35 HD2 HIS 35 3.451 3.621 -5.818
258 HE1 HIS 35 HE1 HIS 35 6.611 1.093 -4.542
259 H THR 36 H THR 36 5.043 8.221 -6.177
260 HA THR 36 HA THR 36 6.815 9.394 -8.092
261 HB THR 36 HB THR 36 5.178 11.213 -8.229
262 HG1 THR 36 HG1 THR 36 3.518 11.370 -6.799
263 HG21 THR 36 3HG2 THR 36 3.746 9.971 -9.444
264 HG22 THR 36 1HG2 THR 36 3.326 8.940 -8.076
265 HG23 THR 36 2HG2 THR 36 4.795 8.625 -9.000
266 H GLY 37 H GLY 37 8.740 9.910 -7.057
267 HA2 GLY 37 1HA GLY 37 8.575 11.865 -4.860
268 HA3 GLY 37 2HA GLY 37 9.973 10.865 -5.226
269 H GLU 38 H GLU 38 8.833 13.931 -5.350
270 HA GLU 38 HA GLU 38 9.747 14.815 -7.887
271 HB2 GLU 38 1HB GLU 38 9.540 17.067 -6.966
272 HB3 GLU 38 2HB GLU 38 8.133 16.095 -6.555
273 HG2 GLU 38 1HG GLU 38 8.865 15.826 -4.316
274 HG3 GLU 38 2HG GLU 38 10.448 16.508 -4.685
275 H LYS 39 H LYS 39 11.272 14.391 -4.767
276 HA LYS 39 HA LYS 39 13.704 15.737 -5.589
277 HB2 LYS 39 1HB LYS 39 12.858 15.844 -3.246
278 HB3 LYS 39 2HB LYS 39 13.166 14.119 -3.093
279 HG2 LYS 39 1HG LYS 39 15.455 14.391 -3.085
280 HG3 LYS 39 2HG LYS 39 15.377 15.950 -3.909
281 HD2 LYS 39 1HD LYS 39 14.136 15.700 -1.213
282 HD3 LYS 39 2HD LYS 39 15.896 15.784 -1.327
283 HE2 LYS 39 1HE LYS 39 15.057 18.005 -1.024
284 HE3 LYS 39 2HE LYS 39 15.642 17.858 -2.680
285 HZ1 LYS 39 3HZ LYS 39 13.470 17.764 -3.508
286 HZ2 LYS 39 1HZ LYS 39 13.422 18.992 -2.345
287 HZ3 LYS 39 2HZ LYS 39 12.794 17.463 -1.987
288 H LEU 40 H LEU 40 15.598 14.786 -6.176
289 HA LEU 40 HA LEU 40 15.694 12.443 -7.546
290 HB2 LEU 40 1HB LEU 40 17.803 13.912 -6.011
291 HB3 LEU 40 2HB LEU 40 18.187 12.408 -6.846
292 HG LEU 40 HG LEU 40 17.290 13.539 -8.948
293 HD11 LEU 40 1HD1 LEU 40 17.418 16.006 -8.921
294 HD12 LEU 40 2HD1 LEU 40 17.584 15.952 -7.167
295 HD13 LEU 40 3HD1 LEU 40 16.104 15.371 -7.930
296 HD21 LEU 40 3HD2 LEU 40 19.778 14.604 -7.616
297 HD22 LEU 40 1HD2 LEU 40 19.415 14.706 -9.339
298 HD23 LEU 40 2HD2 LEU 40 19.655 13.132 -8.581
299 H SER 41 H SER 41 16.758 12.799 -4.158
300 HA SER 41 HA SER 41 16.242 9.918 -3.804
301 HB2 SER 41 1HB SER 41 18.447 11.671 -2.776
302 HB3 SER 41 2HB SER 41 17.951 10.260 -1.841
303 HG SER 41 HG SER 41 19.611 9.712 -3.277
304 H GLY 42 H GLY 42 16.178 9.539 -1.218
305 HA2 GLY 42 1HA GLY 42 14.817 11.575 0.266
306 HA3 GLY 42 2HA GLY 42 13.710 10.351 -0.336
307 HA PRO 43 HA PRO 43 14.667 7.616 2.949
308 HB2 PRO 43 1HB PRO 43 15.090 5.215 1.755
309 HB3 PRO 43 2HB PRO 43 13.493 5.964 1.868
310 HG2 PRO 43 1HG PRO 43 15.409 5.926 -0.432
311 HG3 PRO 43 2HG PRO 43 13.651 5.691 -0.436
312 HD2 PRO 43 1HD PRO 43 14.809 8.040 -1.125
313 HD3 PRO 43 2HD PRO 43 13.222 7.953 -0.333
314 H SER 44 H SER 44 16.675 8.662 3.530
315 HA SER 44 HA SER 44 19.145 7.588 2.467
316 HB2 SER 44 1HB SER 44 19.204 9.918 2.953
317 HB3 SER 44 2HB SER 44 18.526 9.672 4.562
318 HG SER 44 HG SER 44 20.457 8.634 5.151
319 H SER 45 H SER 45 17.717 7.834 5.728
320 HA SER 45 HA SER 45 19.367 5.553 6.556
321 HB2 SER 45 1HB SER 45 19.402 7.705 7.886
322 HB3 SER 45 2HB SER 45 17.729 7.369 8.334
323 HG SER 45 HG SER 45 18.867 5.176 8.900
324 H GLY 46 H GLY 46 18.276 3.757 5.903
325 HA2 GLY 46 1HA GLY 46 15.654 3.325 7.170
326 HA3 GLY 46 2HA GLY 46 15.855 2.985 5.457
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 12.050 -21.541 -3.826
2 HA2 GLY 1 1HA GLY 1 12.935 -21.312 -6.482
3 HA3 GLY 1 2HA GLY 1 12.029 -22.810 -6.332
4 H SER 2 H SER 2 9.811 -22.668 -5.543
5 HA SER 2 HA SER 2 8.513 -20.289 -6.624
6 HB2 SER 2 1HB SER 2 7.520 -23.038 -5.881
7 HB3 SER 2 2HB SER 2 6.412 -21.719 -6.258
8 HG SER 2 HG SER 2 7.151 -23.192 -8.034
9 H SER 3 H SER 3 8.952 -18.821 -4.940
10 HA SER 3 HA SER 3 7.970 -19.410 -2.272
11 HB2 SER 3 1HB SER 3 8.944 -17.295 -1.630
12 HB3 SER 3 2HB SER 3 10.100 -18.147 -2.653
13 HG SER 3 HG SER 3 9.587 -16.807 -4.338
14 H GLY 4 H GLY 4 7.232 -17.179 -4.932
15 HA2 GLY 4 1HA GLY 4 5.308 -16.041 -5.455
16 HA3 GLY 4 2HA GLY 4 4.460 -17.188 -4.428
17 H SER 5 H SER 5 4.735 -14.054 -4.881
18 HA SER 5 HA SER 5 4.789 -13.376 -2.015
19 HB2 SER 5 1HB SER 5 5.247 -11.046 -2.765
20 HB3 SER 5 2HB SER 5 6.496 -12.184 -3.270
21 HG SER 5 HG SER 5 5.616 -10.625 -4.888
22 H SER 6 H SER 6 2.682 -13.713 -1.446
23 HA SER 6 HA SER 6 0.746 -11.831 -2.571
24 HB2 SER 6 1HB SER 6 0.184 -13.779 -3.807
25 HB3 SER 6 2HB SER 6 0.371 -14.820 -2.397
26 HG SER 6 HG SER 6 -1.805 -14.478 -2.714
27 H GLY 7 H GLY 7 -1.116 -11.475 -1.186
28 HA2 GLY 7 1HA GLY 7 -0.437 -11.963 1.643
29 HA3 GLY 7 2HA GLY 7 -1.359 -10.587 1.055
30 H SER 8 H SER 8 -3.535 -10.917 0.365
31 HA SER 8 HA SER 8 -4.763 -13.489 0.926
32 HB2 SER 8 1HB SER 8 -5.367 -10.995 2.517
33 HB3 SER 8 2HB SER 8 -6.490 -12.351 2.416
34 HG SER 8 HG SER 8 -4.125 -13.354 3.002
35 H GLY 9 H GLY 9 -6.767 -13.770 -0.059
36 HA2 GLY 9 1HA GLY 9 -8.205 -13.492 -1.841
37 HA3 GLY 9 2HA GLY 9 -8.507 -11.936 -1.081
38 H GLU 10 H GLU 10 -8.923 -11.196 -3.274
39 HA GLU 10 HA GLU 10 -6.468 -10.210 -4.500
40 HB2 GLU 10 1HB GLU 10 -7.421 -12.416 -5.595
41 HB3 GLU 10 2HB GLU 10 -8.551 -11.298 -6.345
42 HG2 GLU 10 1HG GLU 10 -6.466 -11.884 -7.656
43 HG3 GLU 10 2HG GLU 10 -6.856 -10.172 -7.495
44 H LYS 11 H LYS 11 -6.662 -8.196 -5.344
45 HA LYS 11 HA LYS 11 -9.327 -6.957 -5.184
46 HB2 LYS 11 1HB LYS 11 -6.555 -5.871 -4.770
47 HB3 LYS 11 2HB LYS 11 -7.898 -4.797 -5.139
48 HG2 LYS 11 1HG LYS 11 -8.888 -5.106 -3.113
49 HG3 LYS 11 2HG LYS 11 -8.245 -6.739 -2.923
50 HD2 LYS 11 1HD LYS 11 -5.951 -5.569 -2.732
51 HD3 LYS 11 2HD LYS 11 -6.894 -4.108 -2.429
52 HE2 LYS 11 1HE LYS 11 -8.117 -5.704 -0.704
53 HE3 LYS 11 2HE LYS 11 -6.572 -6.551 -0.765
54 HZ1 LYS 11 3HZ LYS 11 -5.996 -5.081 0.804
55 HZ2 LYS 11 1HZ LYS 11 -7.228 -3.992 0.407
56 HZ3 LYS 11 2HZ LYS 11 -5.790 -4.003 -0.483
57 HA PRO 12 HA PRO 12 -9.380 -6.092 -9.486
58 HB2 PRO 12 1HB PRO 12 -10.574 -3.655 -9.548
59 HB3 PRO 12 2HB PRO 12 -11.447 -5.142 -9.160
60 HG2 PRO 12 1HG PRO 12 -10.343 -3.058 -7.317
61 HG3 PRO 12 2HG PRO 12 -11.906 -3.894 -7.253
62 HD2 PRO 12 1HD PRO 12 -9.810 -4.603 -5.692
63 HD3 PRO 12 2HD PRO 12 -11.000 -5.779 -6.285
64 H TYR 13 H TYR 13 -8.467 -3.175 -7.639
65 HA TYR 13 HA TYR 13 -6.704 -2.345 -9.803
66 HB2 TYR 13 1HB TYR 13 -7.160 -0.924 -7.181
67 HB3 TYR 13 2HB TYR 13 -6.540 -0.246 -8.682
68 HD1 TYR 13 HD1 TYR 13 -8.077 0.101 -10.606
69 HD2 TYR 13 HD2 TYR 13 -9.502 -1.104 -6.782
70 HE1 TYR 13 HE1 TYR 13 -10.354 0.773 -11.249
71 HE2 TYR 13 HE2 TYR 13 -11.783 -0.436 -7.415
72 HH TYR 13 HH TYR 13 -12.826 -0.033 -10.376
73 H LYS 14 H LYS 14 -4.516 -2.334 -9.721
74 HA LYS 14 HA LYS 14 -3.178 -3.034 -7.217
75 HB2 LYS 14 1HB LYS 14 -2.846 -4.542 -9.815
76 HB3 LYS 14 2HB LYS 14 -1.768 -4.706 -8.434
77 HG2 LYS 14 1HG LYS 14 -3.312 -5.849 -7.187
78 HG3 LYS 14 2HG LYS 14 -4.686 -5.136 -8.035
79 HD2 LYS 14 1HD LYS 14 -4.407 -6.550 -9.895
80 HD3 LYS 14 2HD LYS 14 -2.780 -7.021 -9.396
81 HE2 LYS 14 1HE LYS 14 -3.710 -8.204 -7.472
82 HE3 LYS 14 2HE LYS 14 -5.336 -7.714 -7.948
83 HZ1 LYS 14 3HZ LYS 14 -4.050 -8.963 -10.123
84 HZ2 LYS 14 1HZ LYS 14 -5.451 -9.441 -9.305
85 HZ3 LYS 14 2HZ LYS 14 -3.937 -9.967 -8.766
86 H CYS 15 H CYS 15 -1.218 -2.086 -6.957
87 HA CYS 15 HA CYS 15 -0.518 0.086 -8.621
88 HB2 CYS 15 1HB CYS 15 -0.008 -0.157 -6.155
89 HB3 CYS 15 2HB CYS 15 1.283 -1.266 -6.608
90 H VAL 16 H VAL 16 1.546 0.395 -9.728
91 HA VAL 16 HA VAL 16 2.371 -2.064 -11.116
92 HB VAL 16 HB VAL 16 1.387 -0.215 -12.495
93 HG11 VAL 16 1HG1 VAL 16 2.113 1.779 -11.569
94 HG12 VAL 16 2HG1 VAL 16 3.778 1.218 -11.410
95 HG13 VAL 16 3HG1 VAL 16 3.134 1.633 -12.999
96 HG21 VAL 16 3HG2 VAL 16 4.227 -1.069 -13.032
97 HG22 VAL 16 1HG2 VAL 16 2.747 -1.862 -13.572
98 HG23 VAL 16 2HG2 VAL 16 3.190 -0.284 -14.223
99 H GLU 17 H GLU 17 3.436 0.389 -8.991
100 HA GLU 17 HA GLU 17 6.240 0.154 -9.616
101 HB2 GLU 17 1HB GLU 17 4.817 1.461 -7.291
102 HB3 GLU 17 2HB GLU 17 6.547 1.560 -7.586
103 HG2 GLU 17 1HG GLU 17 5.915 3.504 -8.550
104 HG3 GLU 17 2HG GLU 17 5.720 2.440 -9.941
105 H CYS 18 H CYS 18 4.181 -0.786 -6.865
106 HA CYS 18 HA CYS 18 6.275 -2.682 -6.042
107 HB2 CYS 18 1HB CYS 18 5.096 -2.683 -3.835
108 HB3 CYS 18 2HB CYS 18 5.758 -1.116 -4.289
109 H GLY 19 H GLY 19 2.838 -2.346 -6.745
110 HA2 GLY 19 1HA GLY 19 1.666 -4.119 -7.867
111 HA3 GLY 19 2HA GLY 19 2.706 -5.272 -7.045
112 H LYS 20 H LYS 20 1.533 -2.694 -5.125
113 HA LYS 20 HA LYS 20 0.198 -4.418 -3.336
114 HB2 LYS 20 1HB LYS 20 1.218 -2.056 -2.954
115 HB3 LYS 20 2HB LYS 20 -0.357 -1.470 -3.474
116 HG2 LYS 20 1HG LYS 20 -0.444 -1.536 -1.131
117 HG3 LYS 20 2HG LYS 20 -1.351 -2.949 -1.677
118 HD2 LYS 20 1HD LYS 20 -0.040 -3.843 0.003
119 HD3 LYS 20 2HD LYS 20 0.934 -4.174 -1.431
120 HE2 LYS 20 1HE LYS 20 2.541 -3.274 -0.087
121 HE3 LYS 20 2HE LYS 20 1.944 -1.800 -0.846
122 HZ1 LYS 20 3HZ LYS 20 0.574 -2.620 1.579
123 HZ2 LYS 20 1HZ LYS 20 1.039 -1.076 1.065
124 HZ3 LYS 20 2HZ LYS 20 2.173 -2.106 1.781
125 H GLY 21 H GLY 21 -2.035 -4.556 -2.817
126 HA2 GLY 21 1HA GLY 21 -3.782 -3.988 -5.129
127 HA3 GLY 21 2HA GLY 21 -4.002 -5.340 -4.028
128 H TYR 22 H TYR 22 -5.520 -2.732 -4.887
129 HA TYR 22 HA TYR 22 -6.398 -2.088 -2.152
130 HB2 TYR 22 1HB TYR 22 -5.895 -0.215 -4.458
131 HB3 TYR 22 2HB TYR 22 -6.937 0.229 -3.110
132 HD1 TYR 22 HD2 TYR 22 -3.476 -0.697 -4.032
133 HD2 TYR 22 HD1 TYR 22 -6.025 0.921 -1.033
134 HE1 TYR 22 HE2 TYR 22 -1.504 0.023 -2.753
135 HE2 TYR 22 HE1 TYR 22 -4.059 1.647 0.254
136 HH TYR 22 HH TYR 22 -1.423 2.225 -0.584
137 H LYS 23 H LYS 23 -8.504 -2.348 -1.796
138 HA LYS 23 HA LYS 23 -10.237 -3.564 -3.563
139 HB2 LYS 23 1HB LYS 23 -10.922 -1.747 -1.245
140 HB3 LYS 23 2HB LYS 23 -12.055 -2.830 -2.043
141 HG2 LYS 23 1HG LYS 23 -10.986 -4.741 -1.224
142 HG3 LYS 23 2HG LYS 23 -9.524 -3.847 -0.799
143 HD2 LYS 23 1HD LYS 23 -11.234 -2.533 0.747
144 HD3 LYS 23 2HD LYS 23 -12.118 -4.056 0.638
145 HE2 LYS 23 1HE LYS 23 -10.357 -5.270 1.611
146 HE3 LYS 23 2HE LYS 23 -9.204 -3.961 1.357
147 HZ1 LYS 23 3HZ LYS 23 -10.142 -4.323 3.696
148 HZ2 LYS 23 1HZ LYS 23 -11.547 -3.585 3.109
149 HZ3 LYS 23 2HZ LYS 23 -10.082 -2.741 3.101
150 H ARG 24 H ARG 24 -9.842 -0.106 -2.905
151 HA ARG 24 HA ARG 24 -11.520 0.453 -5.262
152 HB2 ARG 24 1HB ARG 24 -12.550 1.304 -3.232
153 HB3 ARG 24 2HB ARG 24 -11.066 2.141 -2.797
154 HG2 ARG 24 1HG ARG 24 -11.311 3.515 -4.856
155 HG3 ARG 24 2HG ARG 24 -12.879 2.750 -5.119
156 HD2 ARG 24 1HD ARG 24 -13.254 3.527 -2.612
157 HD3 ARG 24 2HD ARG 24 -12.040 4.723 -3.063
158 HE ARG 24 HE ARG 24 -13.670 5.808 -4.216
159 HH11 ARG 24 1HH1 ARG 24 -14.547 2.446 -3.993
160 HH12 ARG 24 2HH1 ARG 24 -16.068 2.655 -4.797
161 HH21 ARG 24 1HH2 ARG 24 -15.670 6.095 -5.276
162 HH22 ARG 24 2HH2 ARG 24 -16.705 4.731 -5.527
163 H ARG 25 H ARG 25 -10.747 1.798 -6.829
164 HA ARG 25 HA ARG 25 -8.005 2.018 -7.227
165 HB2 ARG 25 1HB ARG 25 -9.959 2.271 -8.902
166 HB3 ARG 25 2HB ARG 25 -9.952 3.965 -8.431
167 HG2 ARG 25 1HG ARG 25 -7.794 4.308 -9.291
168 HG3 ARG 25 2HG ARG 25 -7.482 2.575 -9.414
169 HD2 ARG 25 1HD ARG 25 -9.071 2.357 -11.199
170 HD3 ARG 25 2HD ARG 25 -9.592 4.030 -10.998
171 HE ARG 25 HE ARG 25 -6.807 3.851 -11.566
172 HH11 ARG 25 1HH1 ARG 25 -9.968 3.728 -13.019
173 HH12 ARG 25 2HH1 ARG 25 -9.416 4.250 -14.576
174 HH21 ARG 25 1HH2 ARG 25 -6.067 4.539 -13.611
175 HH22 ARG 25 2HH2 ARG 25 -7.196 4.710 -14.912
176 H LEU 26 H LEU 26 -10.262 4.652 -6.385
177 HA LEU 26 HA LEU 26 -8.686 6.782 -6.096
178 HB2 LEU 26 1HB LEU 26 -11.135 6.441 -5.386
179 HB3 LEU 26 2HB LEU 26 -10.472 6.040 -3.803
180 HG LEU 26 HG LEU 26 -11.206 8.337 -3.829
181 HD11 LEU 26 1HD1 LEU 26 -8.241 8.589 -3.994
182 HD12 LEU 26 2HD1 LEU 26 -8.955 7.546 -2.765
183 HD13 LEU 26 3HD1 LEU 26 -9.366 9.260 -2.813
184 HD21 LEU 26 3HD2 LEU 26 -9.421 9.677 -5.485
185 HD22 LEU 26 1HD2 LEU 26 -11.149 9.451 -5.753
186 HD23 LEU 26 2HD2 LEU 26 -9.993 8.317 -6.452
187 H ASP 27 H ASP 27 -8.851 4.143 -3.734
188 HA ASP 27 HA ASP 27 -7.111 5.206 -1.826
189 HB2 ASP 27 1HB ASP 27 -8.595 3.059 -1.775
190 HB3 ASP 27 2HB ASP 27 -7.161 2.266 -2.423
191 H LEU 28 H LEU 28 -6.369 2.899 -4.444
192 HA LEU 28 HA LEU 28 -3.594 2.865 -4.030
193 HB2 LEU 28 1HB LEU 28 -4.484 1.120 -5.309
194 HB3 LEU 28 2HB LEU 28 -5.340 2.226 -6.381
195 HG LEU 28 HG LEU 28 -2.840 2.940 -6.977
196 HD11 LEU 28 1HD1 LEU 28 -1.350 1.057 -7.004
197 HD12 LEU 28 2HD1 LEU 28 -2.584 0.016 -6.296
198 HD13 LEU 28 3HD1 LEU 28 -1.891 1.331 -5.347
199 HD21 LEU 28 3HD2 LEU 28 -4.733 0.960 -8.056
200 HD22 LEU 28 1HD2 LEU 28 -3.079 0.839 -8.654
201 HD23 LEU 28 2HD2 LEU 28 -3.972 2.350 -8.832
202 H ASP 29 H ASP 29 -5.578 4.772 -6.277
203 HA ASP 29 HA ASP 29 -3.653 6.107 -7.688
204 HB2 ASP 29 1HB ASP 29 -6.401 6.793 -6.790
205 HB3 ASP 29 2HB ASP 29 -5.408 8.116 -7.395
206 H PHE 30 H PHE 30 -4.694 6.698 -4.386
207 HA PHE 30 HA PHE 30 -3.125 9.099 -4.113
208 HB2 PHE 30 1HB PHE 30 -5.305 8.316 -2.826
209 HB3 PHE 30 2HB PHE 30 -4.126 7.589 -1.740
210 HD1 PHE 30 HD1 PHE 30 -2.489 9.020 -0.562
211 HD2 PHE 30 HD2 PHE 30 -5.671 10.655 -2.867
212 HE1 PHE 30 HE1 PHE 30 -2.182 11.189 0.558
213 HE2 PHE 30 HE2 PHE 30 -5.369 12.827 -1.752
214 HZ PHE 30 HZ PHE 30 -3.621 13.096 -0.037
215 H HIS 31 H HIS 31 -2.630 5.716 -3.717
216 HA HIS 31 HA HIS 31 -0.455 5.854 -1.879
217 HB2 HIS 31 1HB HIS 31 -1.363 3.740 -1.889
218 HB3 HIS 31 2HB HIS 31 -1.652 3.754 -3.626
219 HD1 HIS 31 HD1 HIS 31 1.177 3.315 -1.152
220 HD2 HIS 31 HD2 HIS 31 0.264 2.500 -5.122
221 HE1 HIS 31 HE1 HIS 31 3.067 1.887 -1.997
222 H GLN 32 H GLN 32 -0.652 5.479 -5.410
223 HA GLN 32 HA GLN 32 1.966 5.179 -6.087
224 HB2 GLN 32 1HB GLN 32 -0.222 6.758 -7.415
225 HB3 GLN 32 2HB GLN 32 1.379 6.637 -8.131
226 HG2 GLN 32 1HG GLN 32 1.182 4.331 -8.465
227 HG3 GLN 32 2HG GLN 32 -0.187 4.202 -7.362
228 HE21 GLN 32 1HE2 GLN 32 -1.729 3.415 -8.659
229 HE22 GLN 32 2HE2 GLN 32 -2.297 4.183 -10.098
230 H ARG 33 H ARG 33 0.461 8.004 -4.754
231 HA ARG 33 HA ARG 33 2.138 10.047 -5.496
232 HB2 ARG 33 1HB ARG 33 0.859 9.523 -2.810
233 HB3 ARG 33 2HB ARG 33 1.644 11.038 -3.238
234 HG2 ARG 33 1HG ARG 33 0.042 11.345 -5.064
235 HG3 ARG 33 2HG ARG 33 -0.752 9.836 -4.610
236 HD2 ARG 33 1HD ARG 33 -2.043 11.525 -3.615
237 HD3 ARG 33 2HD ARG 33 -1.054 10.876 -2.307
238 HE ARG 33 HE ARG 33 -0.869 13.515 -3.496
239 HH11 ARG 33 1HH1 ARG 33 0.595 11.109 -1.449
240 HH12 ARG 33 2HH1 ARG 33 1.613 12.243 -0.624
241 HH21 ARG 33 1HH2 ARG 33 0.466 15.017 -2.417
242 HH22 ARG 33 2HH2 ARG 33 1.538 14.465 -1.175
243 H VAL 34 H VAL 34 2.639 7.670 -2.913
244 HA VAL 34 HA VAL 34 5.037 8.729 -1.905
245 HB VAL 34 HB VAL 34 5.421 6.554 -0.894
246 HG11 VAL 34 1HG1 VAL 34 2.481 7.226 -0.866
247 HG12 VAL 34 2HG1 VAL 34 3.374 6.351 0.380
248 HG13 VAL 34 3HG1 VAL 34 3.720 8.054 0.076
249 HG21 VAL 34 3HG2 VAL 34 3.335 4.921 -1.537
250 HG22 VAL 34 1HG2 VAL 34 3.706 5.660 -3.095
251 HG23 VAL 34 2HG2 VAL 34 4.961 4.793 -2.210
252 H HIS 35 H HIS 35 4.371 6.597 -4.609
253 HA HIS 35 HA HIS 35 7.072 5.813 -5.058
254 HB2 HIS 35 1HB HIS 35 4.558 5.695 -6.704
255 HB3 HIS 35 2HB HIS 35 6.113 5.240 -7.394
256 HD1 HIS 35 HD1 HIS 35 7.421 3.375 -5.729
257 HD2 HIS 35 HD2 HIS 35 3.272 3.573 -5.656
258 HE1 HIS 35 HE1 HIS 35 6.660 1.176 -4.777
259 H THR 36 H THR 36 5.023 8.410 -6.261
260 HA THR 36 HA THR 36 7.135 9.371 -8.025
261 HB THR 36 HB THR 36 4.885 9.446 -8.922
262 HG1 THR 36 HG1 THR 36 6.425 11.677 -8.560
263 HG21 THR 36 3HG2 THR 36 4.228 11.277 -6.611
264 HG22 THR 36 1HG2 THR 36 3.663 9.618 -6.798
265 HG23 THR 36 2HG2 THR 36 3.150 10.858 -7.942
266 H GLY 37 H GLY 37 8.574 10.851 -7.424
267 HA2 GLY 37 1HA GLY 37 8.647 13.196 -6.434
268 HA3 GLY 37 2HA GLY 37 8.010 12.421 -4.991
269 H GLU 38 H GLU 38 9.542 12.282 -3.501
270 HA GLU 38 HA GLU 38 12.203 11.335 -4.331
271 HB2 GLU 38 1HB GLU 38 11.470 13.681 -2.635
272 HB3 GLU 38 2HB GLU 38 12.934 12.788 -2.245
273 HG2 GLU 38 1HG GLU 38 12.283 14.198 -4.818
274 HG3 GLU 38 2HG GLU 38 13.526 14.621 -3.642
275 H LYS 39 H LYS 39 11.655 9.224 -3.712
276 HA LYS 39 HA LYS 39 11.202 8.822 -0.831
277 HB2 LYS 39 1HB LYS 39 9.481 7.897 -2.386
278 HB3 LYS 39 2HB LYS 39 10.721 6.862 -3.081
279 HG2 LYS 39 1HG LYS 39 10.926 5.600 -1.117
280 HG3 LYS 39 2HG LYS 39 10.069 6.805 -0.154
281 HD2 LYS 39 1HD LYS 39 7.997 6.197 -1.008
282 HD3 LYS 39 2HD LYS 39 8.698 5.449 -2.445
283 HE2 LYS 39 1HE LYS 39 9.742 3.767 -0.804
284 HE3 LYS 39 2HE LYS 39 8.577 4.392 0.362
285 HZ1 LYS 39 3HZ LYS 39 7.538 3.615 -2.248
286 HZ2 LYS 39 1HZ LYS 39 6.850 3.439 -0.712
287 HZ3 LYS 39 2HZ LYS 39 8.045 2.361 -1.232
288 H LEU 40 H LEU 40 12.776 7.115 -3.544
289 HA LEU 40 HA LEU 40 14.886 6.277 -1.673
290 HB2 LEU 40 1HB LEU 40 15.393 4.533 -3.365
291 HB3 LEU 40 2HB LEU 40 13.787 4.403 -2.653
292 HG LEU 40 HG LEU 40 13.091 5.741 -4.818
293 HD11 LEU 40 1HD1 LEU 40 14.778 6.081 -6.226
294 HD12 LEU 40 2HD1 LEU 40 14.757 4.345 -6.533
295 HD13 LEU 40 3HD1 LEU 40 15.849 5.012 -5.319
296 HD21 LEU 40 3HD2 LEU 40 12.592 3.320 -3.988
297 HD22 LEU 40 1HD2 LEU 40 13.745 2.859 -5.240
298 HD23 LEU 40 2HD2 LEU 40 12.289 3.756 -5.670
299 H SER 41 H SER 41 17.050 6.536 -2.199
300 HA SER 41 HA SER 41 17.628 8.763 -3.923
301 HB2 SER 41 1HB SER 41 18.753 8.125 -1.660
302 HB3 SER 41 2HB SER 41 19.736 7.043 -2.646
303 HG SER 41 HG SER 41 19.893 9.734 -2.363
304 H GLY 42 H GLY 42 19.953 8.345 -5.126
305 HA2 GLY 42 1HA GLY 42 20.301 5.887 -6.458
306 HA3 GLY 42 2HA GLY 42 19.301 6.933 -7.455
307 HA PRO 43 HA PRO 43 22.752 9.210 -8.922
308 HB2 PRO 43 1HB PRO 43 22.222 11.823 -8.411
309 HB3 PRO 43 2HB PRO 43 21.353 10.888 -9.634
310 HG2 PRO 43 1HG PRO 43 20.534 11.572 -6.837
311 HG3 PRO 43 2HG PRO 43 19.569 11.599 -8.324
312 HD2 PRO 43 1HD PRO 43 19.436 9.568 -6.539
313 HD3 PRO 43 2HD PRO 43 19.209 9.323 -8.282
314 H SER 44 H SER 44 22.285 8.940 -5.675
315 HA SER 44 HA SER 44 23.704 10.675 -4.239
316 HB2 SER 44 1HB SER 44 23.722 7.678 -4.177
317 HB3 SER 44 2HB SER 44 24.777 8.574 -3.085
318 HG SER 44 HG SER 44 22.785 8.185 -2.095
319 H SER 45 H SER 45 25.716 11.477 -4.065
320 HA SER 45 HA SER 45 27.527 11.594 -6.039
321 HB2 SER 45 1HB SER 45 27.946 11.634 -3.061
322 HB3 SER 45 2HB SER 45 29.306 11.838 -4.164
323 HG SER 45 HG SER 45 27.896 13.536 -5.148
324 H GLY 46 H GLY 46 27.831 9.253 -3.357
325 HA2 GLY 46 1HA GLY 46 29.246 7.467 -5.236
326 HA3 GLY 46 2HA GLY 46 29.833 7.724 -3.600
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 11.338 -15.928 3.338
2 HA2 GLY 1 1HA GLY 1 11.111 -17.929 5.500
3 HA3 GLY 1 2HA GLY 1 10.241 -16.403 5.479
4 H SER 2 H SER 2 8.151 -16.918 5.336
5 HA SER 2 HA SER 2 7.190 -19.210 3.947
6 HB2 SER 2 1HB SER 2 4.957 -18.346 4.479
7 HB3 SER 2 2HB SER 2 6.010 -18.256 5.891
8 HG SER 2 HG SER 2 4.640 -16.306 4.863
9 H SER 3 H SER 3 7.592 -19.236 1.797
10 HA SER 3 HA SER 3 7.279 -16.912 0.143
11 HB2 SER 3 1HB SER 3 7.870 -19.813 -0.424
12 HB3 SER 3 2HB SER 3 7.609 -18.650 -1.724
13 HG SER 3 HG SER 3 9.436 -17.630 -1.207
14 H GLY 4 H GLY 4 5.703 -16.513 -1.411
15 HA2 GLY 4 1HA GLY 4 3.650 -16.658 -2.456
16 HA3 GLY 4 2HA GLY 4 3.514 -18.305 -1.860
17 H SER 5 H SER 5 2.609 -15.028 -1.405
18 HA SER 5 HA SER 5 1.058 -15.797 0.981
19 HB2 SER 5 1HB SER 5 2.814 -14.171 1.547
20 HB3 SER 5 2HB SER 5 2.195 -13.069 0.317
21 HG SER 5 HG SER 5 1.458 -12.644 2.500
22 H SER 6 H SER 6 -1.068 -15.742 0.730
23 HA SER 6 HA SER 6 -2.319 -13.743 -0.959
24 HB2 SER 6 1HB SER 6 -2.784 -16.686 -1.495
25 HB3 SER 6 2HB SER 6 -3.533 -15.331 -2.339
26 HG SER 6 HG SER 6 -1.233 -14.740 -2.827
27 H GLY 7 H GLY 7 -4.798 -14.092 -0.911
28 HA2 GLY 7 1HA GLY 7 -5.613 -15.207 1.692
29 HA3 GLY 7 2HA GLY 7 -6.053 -13.560 1.263
30 H SER 8 H SER 8 -8.246 -14.432 1.670
31 HA SER 8 HA SER 8 -9.282 -16.098 -0.503
32 HB2 SER 8 1HB SER 8 -11.381 -16.114 0.909
33 HB3 SER 8 2HB SER 8 -9.969 -16.856 1.662
34 HG SER 8 HG SER 8 -10.046 -15.400 3.169
35 H GLY 9 H GLY 9 -8.518 -13.577 -1.317
36 HA2 GLY 9 1HA GLY 9 -10.659 -12.650 -2.763
37 HA3 GLY 9 2HA GLY 9 -10.706 -11.730 -1.267
38 H GLU 10 H GLU 10 -9.530 -11.786 -4.370
39 HA GLU 10 HA GLU 10 -7.158 -10.187 -3.768
40 HB2 GLU 10 1HB GLU 10 -8.201 -11.484 -6.275
41 HB3 GLU 10 2HB GLU 10 -6.912 -10.290 -6.328
42 HG2 GLU 10 1HG GLU 10 -6.745 -12.736 -4.603
43 HG3 GLU 10 2HG GLU 10 -6.242 -12.739 -6.292
44 H LYS 11 H LYS 11 -6.823 -8.122 -4.728
45 HA LYS 11 HA LYS 11 -9.277 -6.573 -4.912
46 HB2 LYS 11 1HB LYS 11 -6.368 -5.891 -4.624
47 HB3 LYS 11 2HB LYS 11 -7.525 -4.657 -5.105
48 HG2 LYS 11 1HG LYS 11 -7.246 -4.490 -2.758
49 HG3 LYS 11 2HG LYS 11 -8.834 -5.206 -3.043
50 HD2 LYS 11 1HD LYS 11 -7.868 -6.463 -1.295
51 HD3 LYS 11 2HD LYS 11 -7.714 -7.462 -2.742
52 HE2 LYS 11 1HE LYS 11 -5.631 -7.599 -1.646
53 HE3 LYS 11 2HE LYS 11 -5.388 -6.491 -2.995
54 HZ1 LYS 11 3HZ LYS 11 -4.565 -5.102 -1.485
55 HZ2 LYS 11 1HZ LYS 11 -5.149 -6.013 -0.185
56 HZ3 LYS 11 2HZ LYS 11 -6.150 -4.875 -0.937
57 HA PRO 12 HA PRO 12 -9.339 -6.263 -9.297
58 HB2 PRO 12 1HB PRO 12 -10.584 -3.867 -9.576
59 HB3 PRO 12 2HB PRO 12 -11.426 -5.333 -9.061
60 HG2 PRO 12 1HG PRO 12 -10.376 -3.072 -7.405
61 HG3 PRO 12 2HG PRO 12 -11.920 -3.932 -7.272
62 HD2 PRO 12 1HD PRO 12 -9.817 -4.456 -5.650
63 HD3 PRO 12 2HD PRO 12 -10.979 -5.705 -6.139
64 H TYR 13 H TYR 13 -8.327 -3.315 -7.576
65 HA TYR 13 HA TYR 13 -6.623 -2.592 -9.845
66 HB2 TYR 13 1HB TYR 13 -7.095 -0.949 -7.360
67 HB3 TYR 13 2HB TYR 13 -6.512 -0.402 -8.929
68 HD1 TYR 13 HD1 TYR 13 -8.072 -0.168 -10.819
69 HD2 TYR 13 HD2 TYR 13 -9.440 -1.231 -6.933
70 HE1 TYR 13 HE1 TYR 13 -10.372 0.399 -11.481
71 HE2 TYR 13 HE2 TYR 13 -11.744 -0.668 -7.584
72 HH TYR 13 HH TYR 13 -12.578 0.128 -10.890
73 H LYS 14 H LYS 14 -4.419 -2.365 -9.684
74 HA LYS 14 HA LYS 14 -3.122 -2.946 -7.133
75 HB2 LYS 14 1HB LYS 14 -2.534 -4.499 -9.661
76 HB3 LYS 14 2HB LYS 14 -1.669 -4.649 -8.136
77 HG2 LYS 14 1HG LYS 14 -3.072 -6.416 -7.929
78 HG3 LYS 14 2HG LYS 14 -4.105 -5.166 -7.233
79 HD2 LYS 14 1HD LYS 14 -5.508 -5.132 -9.034
80 HD3 LYS 14 2HD LYS 14 -4.236 -5.585 -10.170
81 HE2 LYS 14 1HE LYS 14 -4.351 -7.862 -9.528
82 HE3 LYS 14 2HE LYS 14 -5.345 -7.488 -8.120
83 HZ1 LYS 14 3HZ LYS 14 -7.174 -6.956 -9.515
84 HZ2 LYS 14 1HZ LYS 14 -6.576 -8.450 -10.036
85 HZ3 LYS 14 2HZ LYS 14 -6.231 -7.049 -10.917
86 H CYS 15 H CYS 15 -1.086 -2.066 -6.918
87 HA CYS 15 HA CYS 15 -0.468 0.143 -8.589
88 HB2 CYS 15 1HB CYS 15 0.058 -0.097 -6.114
89 HB3 CYS 15 2HB CYS 15 1.392 -1.142 -6.590
90 H VAL 16 H VAL 16 1.469 0.488 -9.815
91 HA VAL 16 HA VAL 16 2.396 -1.972 -11.129
92 HB VAL 16 HB VAL 16 1.308 -0.200 -12.531
93 HG11 VAL 16 1HG1 VAL 16 2.388 1.851 -12.983
94 HG12 VAL 16 2HG1 VAL 16 2.379 1.689 -11.226
95 HG13 VAL 16 3HG1 VAL 16 3.852 1.353 -12.136
96 HG21 VAL 16 3HG2 VAL 16 2.809 -0.456 -14.356
97 HG22 VAL 16 1HG2 VAL 16 4.188 -0.665 -13.276
98 HG23 VAL 16 2HG2 VAL 16 2.947 -1.915 -13.375
99 H GLU 17 H GLU 17 3.385 0.428 -8.973
100 HA GLU 17 HA GLU 17 6.189 0.368 -9.691
101 HB2 GLU 17 1HB GLU 17 4.611 1.702 -7.507
102 HB3 GLU 17 2HB GLU 17 6.368 1.674 -7.470
103 HG2 GLU 17 1HG GLU 17 4.870 2.687 -9.857
104 HG3 GLU 17 2HG GLU 17 5.215 3.720 -8.470
105 H CYS 18 H CYS 18 4.133 -0.850 -7.072
106 HA CYS 18 HA CYS 18 6.355 -2.605 -6.252
107 HB2 CYS 18 1HB CYS 18 5.177 -2.678 -4.018
108 HB3 CYS 18 2HB CYS 18 5.885 -1.124 -4.444
109 H GLY 19 H GLY 19 2.854 -2.370 -6.712
110 HA2 GLY 19 1HA GLY 19 1.779 -4.214 -7.911
111 HA3 GLY 19 2HA GLY 19 2.802 -5.310 -6.995
112 H LYS 20 H LYS 20 1.661 -2.725 -5.136
113 HA LYS 20 HA LYS 20 0.287 -4.307 -3.313
114 HB2 LYS 20 1HB LYS 20 1.108 -1.750 -3.310
115 HB3 LYS 20 2HB LYS 20 -0.605 -1.491 -3.615
116 HG2 LYS 20 1HG LYS 20 -0.251 -1.356 -1.269
117 HG3 LYS 20 2HG LYS 20 -1.100 -2.869 -1.597
118 HD2 LYS 20 1HD LYS 20 0.521 -3.609 -0.154
119 HD3 LYS 20 2HD LYS 20 1.347 -3.835 -1.698
120 HE2 LYS 20 1HE LYS 20 2.630 -1.877 -1.409
121 HE3 LYS 20 2HE LYS 20 1.612 -1.311 -0.086
122 HZ1 LYS 20 3HZ LYS 20 2.722 -2.543 1.395
123 HZ2 LYS 20 1HZ LYS 20 3.945 -2.603 0.228
124 HZ3 LYS 20 2HZ LYS 20 2.846 -3.881 0.368
125 H GLY 21 H GLY 21 -2.074 -4.017 -2.714
126 HA2 GLY 21 1HA GLY 21 -3.754 -3.884 -5.137
127 HA3 GLY 21 2HA GLY 21 -3.908 -5.219 -4.003
128 H TYR 22 H TYR 22 -5.508 -2.656 -4.952
129 HA TYR 22 HA TYR 22 -6.520 -2.060 -2.252
130 HB2 TYR 22 1HB TYR 22 -6.025 -0.140 -4.527
131 HB3 TYR 22 2HB TYR 22 -7.070 0.250 -3.165
132 HD1 TYR 22 HD2 TYR 22 -3.593 -0.762 -4.016
133 HD2 TYR 22 HD1 TYR 22 -6.162 1.110 -1.187
134 HE1 TYR 22 HE2 TYR 22 -1.630 -0.021 -2.731
135 HE2 TYR 22 HE1 TYR 22 -4.207 1.856 0.104
136 HH TYR 22 HH TYR 22 -1.882 1.281 0.423
137 H LYS 23 H LYS 23 -8.678 -2.173 -1.992
138 HA LYS 23 HA LYS 23 -10.264 -3.378 -4.017
139 HB2 LYS 23 1HB LYS 23 -10.950 -2.187 -1.331
140 HB3 LYS 23 2HB LYS 23 -12.148 -2.946 -2.372
141 HG2 LYS 23 1HG LYS 23 -9.670 -4.346 -1.400
142 HG3 LYS 23 2HG LYS 23 -11.223 -4.404 -0.563
143 HD2 LYS 23 1HD LYS 23 -10.910 -5.181 -3.453
144 HD3 LYS 23 2HD LYS 23 -10.702 -6.333 -2.132
145 HE2 LYS 23 1HE LYS 23 -13.177 -4.653 -2.412
146 HE3 LYS 23 2HE LYS 23 -13.003 -6.204 -3.232
147 HZ1 LYS 23 3HZ LYS 23 -13.481 -7.269 -1.364
148 HZ2 LYS 23 1HZ LYS 23 -13.858 -5.783 -0.649
149 HZ3 LYS 23 2HZ LYS 23 -12.302 -6.425 -0.492
150 H ARG 24 H ARG 24 -9.676 -0.101 -3.054
151 HA ARG 24 HA ARG 24 -11.688 0.804 -5.008
152 HB2 ARG 24 1HB ARG 24 -12.512 1.574 -2.955
153 HB3 ARG 24 2HB ARG 24 -10.905 1.948 -2.345
154 HG2 ARG 24 1HG ARG 24 -12.009 4.002 -2.794
155 HG3 ARG 24 2HG ARG 24 -10.772 3.780 -4.033
156 HD2 ARG 24 1HD ARG 24 -12.866 4.592 -4.997
157 HD3 ARG 24 2HD ARG 24 -12.463 2.983 -5.595
158 HE ARG 24 HE ARG 24 -14.094 2.471 -3.500
159 HH11 ARG 24 1HH1 ARG 24 -14.366 4.522 -6.301
160 HH12 ARG 24 2HH1 ARG 24 -16.090 4.382 -6.397
161 HH21 ARG 24 1HH2 ARG 24 -16.364 2.279 -3.617
162 HH22 ARG 24 2HH2 ARG 24 -17.226 3.107 -4.870
163 H ARG 25 H ARG 25 -10.553 1.260 -6.796
164 HA ARG 25 HA ARG 25 -7.972 1.814 -7.223
165 HB2 ARG 25 1HB ARG 25 -9.845 1.774 -8.932
166 HB3 ARG 25 2HB ARG 25 -10.117 3.469 -8.550
167 HG2 ARG 25 1HG ARG 25 -7.761 3.929 -9.195
168 HG3 ARG 25 2HG ARG 25 -7.628 2.249 -9.719
169 HD2 ARG 25 1HD ARG 25 -9.176 2.548 -11.451
170 HD3 ARG 25 2HD ARG 25 -9.792 4.047 -10.758
171 HE ARG 25 HE ARG 25 -8.046 5.194 -11.732
172 HH11 ARG 25 1HH1 ARG 25 -7.532 1.763 -12.022
173 HH12 ARG 25 2HH1 ARG 25 -6.220 1.922 -13.142
174 HH21 ARG 25 1HH2 ARG 25 -6.319 5.417 -13.207
175 HH22 ARG 25 2HH2 ARG 25 -5.530 4.001 -13.815
176 H LEU 26 H LEU 26 -10.359 4.244 -6.218
177 HA LEU 26 HA LEU 26 -8.880 6.534 -6.272
178 HB2 LEU 26 1HB LEU 26 -11.271 6.257 -5.545
179 HB3 LEU 26 2HB LEU 26 -10.658 5.775 -3.964
180 HG LEU 26 HG LEU 26 -11.338 8.063 -3.848
181 HD11 LEU 26 1HD1 LEU 26 -9.040 7.228 -2.908
182 HD12 LEU 26 2HD1 LEU 26 -9.477 8.935 -2.836
183 HD13 LEU 26 3HD1 LEU 26 -8.384 8.357 -4.094
184 HD21 LEU 26 3HD2 LEU 26 -9.790 8.309 -6.390
185 HD22 LEU 26 1HD2 LEU 26 -9.973 9.712 -5.337
186 HD23 LEU 26 2HD2 LEU 26 -11.401 8.909 -5.991
187 H ASP 27 H ASP 27 -8.945 4.161 -3.624
188 HA ASP 27 HA ASP 27 -7.170 5.439 -1.903
189 HB2 ASP 27 1HB ASP 27 -7.744 2.507 -2.339
190 HB3 ASP 27 2HB ASP 27 -6.693 3.094 -1.052
191 H LEU 28 H LEU 28 -6.467 2.953 -4.357
192 HA LEU 28 HA LEU 28 -3.703 2.865 -4.003
193 HB2 LEU 28 1HB LEU 28 -4.664 1.159 -5.284
194 HB3 LEU 28 2HB LEU 28 -5.484 2.301 -6.348
195 HG LEU 28 HG LEU 28 -2.952 2.923 -6.940
196 HD11 LEU 28 1HD1 LEU 28 -2.005 0.416 -7.171
197 HD12 LEU 28 2HD1 LEU 28 -2.855 0.285 -5.632
198 HD13 LEU 28 3HD1 LEU 28 -1.594 1.499 -5.842
199 HD21 LEU 28 3HD2 LEU 28 -4.255 2.419 -8.745
200 HD22 LEU 28 1HD2 LEU 28 -4.860 0.923 -8.034
201 HD23 LEU 28 2HD2 LEU 28 -3.232 0.982 -8.711
202 H ASP 29 H ASP 29 -5.602 4.785 -6.322
203 HA ASP 29 HA ASP 29 -3.638 6.080 -7.694
204 HB2 ASP 29 1HB ASP 29 -6.239 6.334 -7.772
205 HB3 ASP 29 2HB ASP 29 -5.959 7.680 -6.671
206 H PHE 30 H PHE 30 -4.716 6.737 -4.412
207 HA PHE 30 HA PHE 30 -3.100 9.098 -4.130
208 HB2 PHE 30 1HB PHE 30 -5.288 8.387 -2.852
209 HB3 PHE 30 2HB PHE 30 -4.154 7.570 -1.782
210 HD1 PHE 30 HD1 PHE 30 -2.262 8.974 -0.781
211 HD2 PHE 30 HD2 PHE 30 -5.734 10.648 -2.588
212 HE1 PHE 30 HE1 PHE 30 -1.858 11.090 0.408
213 HE2 PHE 30 HE2 PHE 30 -5.334 12.766 -1.402
214 HZ PHE 30 HZ PHE 30 -3.394 12.990 0.098
215 H HIS 31 H HIS 31 -2.694 5.695 -3.630
216 HA HIS 31 HA HIS 31 -0.503 5.814 -1.830
217 HB2 HIS 31 1HB HIS 31 -1.429 3.711 -1.826
218 HB3 HIS 31 2HB HIS 31 -1.739 3.726 -3.560
219 HD1 HIS 31 HD1 HIS 31 1.098 3.224 -1.110
220 HD2 HIS 31 HD2 HIS 31 0.154 2.464 -5.084
221 HE1 HIS 31 HE1 HIS 31 2.959 1.771 -1.977
222 H GLN 32 H GLN 32 -0.679 5.362 -5.356
223 HA GLN 32 HA GLN 32 1.920 5.033 -6.034
224 HB2 GLN 32 1HB GLN 32 -0.193 6.714 -7.367
225 HB3 GLN 32 2HB GLN 32 1.392 6.465 -8.087
226 HG2 GLN 32 1HG GLN 32 1.021 4.193 -8.418
227 HG3 GLN 32 2HG GLN 32 -0.307 4.146 -7.260
228 HE21 GLN 32 1HE2 GLN 32 -1.829 3.315 -8.610
229 HE22 GLN 32 2HE2 GLN 32 -2.455 4.156 -9.983
230 H ARG 33 H ARG 33 0.479 7.908 -4.723
231 HA ARG 33 HA ARG 33 2.216 9.900 -5.449
232 HB2 ARG 33 1HB ARG 33 0.876 9.396 -2.792
233 HB3 ARG 33 2HB ARG 33 1.758 10.874 -3.155
234 HG2 ARG 33 1HG ARG 33 0.228 11.389 -4.954
235 HG3 ARG 33 2HG ARG 33 -0.621 9.863 -4.698
236 HD2 ARG 33 1HD ARG 33 -1.955 11.402 -3.582
237 HD3 ARG 33 2HD ARG 33 -0.970 10.715 -2.292
238 HE ARG 33 HE ARG 33 0.031 12.760 -2.005
239 HH11 ARG 33 1HH1 ARG 33 -1.741 12.746 -5.002
240 HH12 ARG 33 2HH1 ARG 33 -1.555 14.447 -5.271
241 HH21 ARG 33 1HH2 ARG 33 0.283 15.001 -2.348
242 HH22 ARG 33 2HH2 ARG 33 -0.402 15.729 -3.762
243 H VAL 34 H VAL 34 2.648 7.505 -2.872
244 HA VAL 34 HA VAL 34 5.032 8.478 -1.797
245 HB VAL 34 HB VAL 34 5.412 6.243 -0.919
246 HG11 VAL 34 1HG1 VAL 34 2.477 6.938 -0.893
247 HG12 VAL 34 2HG1 VAL 34 3.327 5.947 0.294
248 HG13 VAL 34 3HG1 VAL 34 3.710 7.662 0.139
249 HG21 VAL 34 3HG2 VAL 34 4.990 4.616 -2.434
250 HG22 VAL 34 1HG2 VAL 34 3.413 4.602 -1.645
251 HG23 VAL 34 2HG2 VAL 34 3.636 5.487 -3.154
252 H HIS 35 H HIS 35 4.445 6.423 -4.594
253 HA HIS 35 HA HIS 35 7.178 5.756 -5.042
254 HB2 HIS 35 1HB HIS 35 4.706 5.617 -6.760
255 HB3 HIS 35 2HB HIS 35 6.292 5.160 -7.373
256 HD1 HIS 35 HD1 HIS 35 7.515 3.254 -5.747
257 HD2 HIS 35 HD2 HIS 35 3.371 3.543 -5.666
258 HE1 HIS 35 HE1 HIS 35 6.707 1.068 -4.802
259 H THR 36 H THR 36 5.119 8.410 -5.971
260 HA THR 36 HA THR 36 7.174 9.466 -7.772
261 HB THR 36 HB THR 36 4.996 9.553 -8.744
262 HG1 THR 36 HG1 THR 36 4.696 11.976 -8.719
263 HG21 THR 36 3HG2 THR 36 3.131 10.776 -7.661
264 HG22 THR 36 1HG2 THR 36 4.120 10.947 -6.212
265 HG23 THR 36 2HG2 THR 36 3.628 9.344 -6.760
266 H GLY 37 H GLY 37 8.490 11.079 -7.198
267 HA2 GLY 37 1HA GLY 37 7.853 13.258 -5.582
268 HA3 GLY 37 2HA GLY 37 8.563 12.038 -4.535
269 H GLU 38 H GLU 38 10.673 11.085 -5.437
270 HA GLU 38 HA GLU 38 12.390 13.346 -6.102
271 HB2 GLU 38 1HB GLU 38 14.211 12.034 -5.329
272 HB3 GLU 38 2HB GLU 38 12.894 11.763 -4.196
273 HG2 GLU 38 1HG GLU 38 12.365 9.659 -5.396
274 HG3 GLU 38 2HG GLU 38 13.794 9.918 -6.394
275 H LYS 39 H LYS 39 13.592 13.518 -7.932
276 HA LYS 39 HA LYS 39 12.963 11.619 -10.076
277 HB2 LYS 39 1HB LYS 39 14.018 13.477 -11.513
278 HB3 LYS 39 2HB LYS 39 12.441 13.783 -10.798
279 HG2 LYS 39 1HG LYS 39 13.318 15.240 -9.197
280 HG3 LYS 39 2HG LYS 39 14.967 14.662 -9.447
281 HD2 LYS 39 1HD LYS 39 15.077 16.616 -10.620
282 HD3 LYS 39 2HD LYS 39 14.510 15.545 -11.904
283 HE2 LYS 39 1HE LYS 39 12.146 16.253 -10.956
284 HE3 LYS 39 2HE LYS 39 13.052 17.659 -10.400
285 HZ1 LYS 39 3HZ LYS 39 12.182 16.997 -13.034
286 HZ2 LYS 39 1HZ LYS 39 13.844 17.308 -12.993
287 HZ3 LYS 39 2HZ LYS 39 12.752 18.470 -12.430
288 H LEU 40 H LEU 40 14.493 10.437 -11.101
289 HA LEU 40 HA LEU 40 17.204 10.547 -9.982
290 HB2 LEU 40 1HB LEU 40 17.469 8.295 -10.606
291 HB3 LEU 40 2HB LEU 40 15.855 8.421 -9.908
292 HG LEU 40 HG LEU 40 16.139 8.609 -12.867
293 HD11 LEU 40 1HD1 LEU 40 15.859 6.069 -12.870
294 HD12 LEU 40 2HD1 LEU 40 16.508 6.122 -11.232
295 HD13 LEU 40 3HD1 LEU 40 17.475 6.714 -12.583
296 HD21 LEU 40 3HD2 LEU 40 13.930 8.567 -12.666
297 HD22 LEU 40 1HD2 LEU 40 14.056 8.307 -10.927
298 HD23 LEU 40 2HD2 LEU 40 14.047 6.927 -12.026
299 H SER 41 H SER 41 15.409 11.210 -12.810
300 HA SER 41 HA SER 41 17.381 10.803 -14.782
301 HB2 SER 41 1HB SER 41 16.003 12.186 -16.214
302 HB3 SER 41 2HB SER 41 14.951 11.157 -15.242
303 HG SER 41 HG SER 41 15.569 13.887 -14.766
304 H GLY 42 H GLY 42 19.265 11.794 -15.022
305 HA2 GLY 42 1HA GLY 42 19.447 14.667 -14.461
306 HA3 GLY 42 2HA GLY 42 20.564 13.590 -13.636
307 HA PRO 43 HA PRO 43 21.643 13.352 -18.354
308 HB2 PRO 43 1HB PRO 43 20.479 15.220 -19.942
309 HB3 PRO 43 2HB PRO 43 19.762 13.633 -19.642
310 HG2 PRO 43 1HG PRO 43 19.127 16.269 -18.373
311 HG3 PRO 43 2HG PRO 43 18.020 15.004 -18.939
312 HD2 PRO 43 1HD PRO 43 18.669 15.312 -16.328
313 HD3 PRO 43 2HD PRO 43 18.310 13.727 -17.042
314 H SER 44 H SER 44 21.575 15.919 -16.243
315 HA SER 44 HA SER 44 23.462 17.544 -17.791
316 HB2 SER 44 1HB SER 44 21.686 18.841 -16.829
317 HB3 SER 44 2HB SER 44 21.926 18.102 -15.246
318 HG SER 44 HG SER 44 24.199 19.252 -16.200
319 H SER 45 H SER 45 23.133 16.250 -14.483
320 HA SER 45 HA SER 45 26.022 16.451 -14.126
321 HB2 SER 45 1HB SER 45 24.384 17.198 -12.346
322 HB3 SER 45 2HB SER 45 23.980 15.497 -12.110
323 HG SER 45 HG SER 45 26.048 15.106 -11.427
324 H GLY 46 H GLY 46 27.374 14.716 -13.778
325 HA2 GLY 46 1HA GLY 46 28.139 12.592 -14.258
326 HA3 GLY 46 2HA GLY 46 26.824 12.116 -13.194
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 13.212 -11.789 1.842
2 HA2 GLY 1 1HA GLY 1 11.007 -11.945 1.154
3 HA3 GLY 1 2HA GLY 1 10.935 -13.551 1.864
4 H SER 2 H SER 2 10.739 -10.103 2.562
5 HA SER 2 HA SER 2 9.651 -10.641 5.213
6 HB2 SER 2 1HB SER 2 9.670 -8.157 5.445
7 HB3 SER 2 2HB SER 2 11.254 -8.827 5.059
8 HG SER 2 HG SER 2 10.973 -7.126 3.697
9 H SER 3 H SER 3 8.053 -11.617 3.170
10 HA SER 3 HA SER 3 5.933 -9.697 2.679
11 HB2 SER 3 1HB SER 3 4.947 -11.374 1.281
12 HB3 SER 3 2HB SER 3 6.683 -11.405 0.972
13 HG SER 3 HG SER 3 5.138 -13.216 2.500
14 H GLY 4 H GLY 4 3.690 -10.170 3.226
15 HA2 GLY 4 1HA GLY 4 3.497 -11.615 5.797
16 HA3 GLY 4 2HA GLY 4 2.573 -10.170 5.415
17 H SER 5 H SER 5 3.016 -13.572 4.578
18 HA SER 5 HA SER 5 0.963 -13.932 2.777
19 HB2 SER 5 1HB SER 5 2.560 -15.702 3.373
20 HB3 SER 5 2HB SER 5 1.820 -15.840 4.968
21 HG SER 5 HG SER 5 -0.186 -16.280 3.712
22 H SER 6 H SER 6 0.759 -14.239 6.321
23 HA SER 6 HA SER 6 -2.036 -14.680 6.373
24 HB2 SER 6 1HB SER 6 -0.223 -13.624 8.558
25 HB3 SER 6 2HB SER 6 -1.855 -14.251 8.791
26 HG SER 6 HG SER 6 -0.775 -16.171 7.571
27 H GLY 7 H GLY 7 -3.275 -13.185 5.358
28 HA2 GLY 7 1HA GLY 7 -4.621 -11.220 5.884
29 HA3 GLY 7 2HA GLY 7 -3.146 -10.439 6.435
30 H SER 8 H SER 8 -4.066 -12.190 3.468
31 HA SER 8 HA SER 8 -3.389 -9.780 1.931
32 HB2 SER 8 1HB SER 8 -2.378 -12.585 1.448
33 HB3 SER 8 2HB SER 8 -2.345 -11.333 0.206
34 HG SER 8 HG SER 8 -1.266 -10.128 2.141
35 H GLY 9 H GLY 9 -5.168 -9.192 0.887
36 HA2 GLY 9 1HA GLY 9 -7.058 -11.273 0.019
37 HA3 GLY 9 2HA GLY 9 -7.446 -9.575 0.251
38 H GLU 10 H GLU 10 -8.282 -10.741 -2.026
39 HA GLU 10 HA GLU 10 -6.337 -9.956 -4.085
40 HB2 GLU 10 1HB GLU 10 -7.601 -12.281 -3.959
41 HB3 GLU 10 2HB GLU 10 -8.876 -11.372 -4.757
42 HG2 GLU 10 1HG GLU 10 -7.602 -11.003 -6.658
43 HG3 GLU 10 2HG GLU 10 -6.084 -11.327 -5.822
44 H LYS 11 H LYS 11 -6.578 -7.867 -4.577
45 HA LYS 11 HA LYS 11 -9.295 -6.774 -4.826
46 HB2 LYS 11 1HB LYS 11 -6.610 -5.457 -4.430
47 HB3 LYS 11 2HB LYS 11 -8.054 -4.549 -4.859
48 HG2 LYS 11 1HG LYS 11 -8.052 -4.322 -2.584
49 HG3 LYS 11 2HG LYS 11 -9.073 -5.750 -2.773
50 HD2 LYS 11 1HD LYS 11 -7.390 -7.196 -2.067
51 HD3 LYS 11 2HD LYS 11 -6.112 -6.024 -2.397
52 HE2 LYS 11 1HE LYS 11 -7.014 -4.624 -0.544
53 HE3 LYS 11 2HE LYS 11 -8.146 -5.923 -0.172
54 HZ1 LYS 11 3HZ LYS 11 -6.417 -6.355 1.257
55 HZ2 LYS 11 1HZ LYS 11 -5.225 -5.856 0.166
56 HZ3 LYS 11 2HZ LYS 11 -6.002 -7.342 -0.053
57 HA PRO 12 HA PRO 12 -9.030 -6.436 -9.194
58 HB2 PRO 12 1HB PRO 12 -10.388 -4.128 -9.638
59 HB3 PRO 12 2HB PRO 12 -11.181 -5.629 -9.147
60 HG2 PRO 12 1HG PRO 12 -10.398 -3.268 -7.482
61 HG3 PRO 12 2HG PRO 12 -11.895 -4.218 -7.443
62 HD2 PRO 12 1HD PRO 12 -9.898 -4.573 -5.649
63 HD3 PRO 12 2HD PRO 12 -10.943 -5.902 -6.190
64 H TYR 13 H TYR 13 -8.447 -3.302 -7.590
65 HA TYR 13 HA TYR 13 -6.644 -2.502 -9.723
66 HB2 TYR 13 1HB TYR 13 -7.282 -0.987 -7.190
67 HB3 TYR 13 2HB TYR 13 -6.616 -0.344 -8.687
68 HD1 TYR 13 HD1 TYR 13 -8.052 -0.033 -10.654
69 HD2 TYR 13 HD2 TYR 13 -9.643 -1.395 -6.950
70 HE1 TYR 13 HE1 TYR 13 -10.321 0.495 -11.442
71 HE2 TYR 13 HE2 TYR 13 -11.917 -0.872 -7.728
72 HH TYR 13 HH TYR 13 -12.864 0.895 -9.586
73 H LYS 14 H LYS 14 -4.468 -2.400 -9.595
74 HA LYS 14 HA LYS 14 -3.158 -2.855 -7.021
75 HB2 LYS 14 1HB LYS 14 -2.561 -4.494 -9.492
76 HB3 LYS 14 2HB LYS 14 -1.705 -4.591 -7.958
77 HG2 LYS 14 1HG LYS 14 -3.121 -6.381 -7.791
78 HG3 LYS 14 2HG LYS 14 -4.076 -5.124 -7.001
79 HD2 LYS 14 1HD LYS 14 -5.662 -5.952 -8.414
80 HD3 LYS 14 2HD LYS 14 -4.938 -4.749 -9.483
81 HE2 LYS 14 1HE LYS 14 -3.469 -6.526 -10.399
82 HE3 LYS 14 2HE LYS 14 -4.327 -7.701 -9.403
83 HZ1 LYS 14 3HZ LYS 14 -5.911 -5.991 -11.170
84 HZ2 LYS 14 1HZ LYS 14 -6.172 -7.595 -10.701
85 HZ3 LYS 14 2HZ LYS 14 -5.015 -7.237 -11.881
86 H CYS 15 H CYS 15 -1.051 -2.058 -6.887
87 HA CYS 15 HA CYS 15 -0.472 0.144 -8.589
88 HB2 CYS 15 1HB CYS 15 0.129 -0.070 -6.134
89 HB3 CYS 15 2HB CYS 15 1.426 -1.152 -6.630
90 H VAL 16 H VAL 16 1.477 0.457 -9.837
91 HA VAL 16 HA VAL 16 2.311 -2.022 -11.181
92 HB VAL 16 HB VAL 16 1.221 -0.220 -12.552
93 HG11 VAL 16 1HG1 VAL 16 2.827 1.656 -13.204
94 HG12 VAL 16 2HG1 VAL 16 2.027 1.784 -11.636
95 HG13 VAL 16 3HG1 VAL 16 3.706 1.252 -11.730
96 HG21 VAL 16 3HG2 VAL 16 2.536 -1.888 -13.654
97 HG22 VAL 16 1HG2 VAL 16 2.928 -0.326 -14.373
98 HG23 VAL 16 2HG2 VAL 16 4.036 -1.068 -13.219
99 H GLU 17 H GLU 17 3.401 0.375 -9.064
100 HA GLU 17 HA GLU 17 6.188 0.225 -9.846
101 HB2 GLU 17 1HB GLU 17 4.870 1.553 -7.470
102 HB3 GLU 17 2HB GLU 17 6.567 1.704 -7.901
103 HG2 GLU 17 1HG GLU 17 4.373 2.489 -9.787
104 HG3 GLU 17 2HG GLU 17 5.013 3.596 -8.574
105 H CYS 18 H CYS 18 4.146 -0.873 -7.167
106 HA CYS 18 HA CYS 18 6.343 -2.645 -6.319
107 HB2 CYS 18 1HB CYS 18 5.186 -2.654 -4.082
108 HB3 CYS 18 2HB CYS 18 5.875 -1.103 -4.551
109 H GLY 19 H GLY 19 2.859 -2.381 -6.846
110 HA2 GLY 19 1HA GLY 19 1.713 -4.202 -7.954
111 HA3 GLY 19 2HA GLY 19 2.778 -5.317 -7.112
112 H LYS 20 H LYS 20 1.618 -2.711 -5.234
113 HA LYS 20 HA LYS 20 0.423 -4.289 -3.296
114 HB2 LYS 20 1HB LYS 20 1.023 -1.659 -3.492
115 HB3 LYS 20 2HB LYS 20 -0.727 -1.587 -3.659
116 HG2 LYS 20 1HG LYS 20 -0.585 -1.417 -1.407
117 HG3 LYS 20 2HG LYS 20 -0.613 -3.177 -1.538
118 HD2 LYS 20 1HD LYS 20 2.020 -1.794 -1.659
119 HD3 LYS 20 2HD LYS 20 1.213 -1.921 -0.094
120 HE2 LYS 20 1HE LYS 20 0.984 -4.391 -0.547
121 HE3 LYS 20 2HE LYS 20 2.051 -4.156 -1.931
122 HZ1 LYS 20 3HZ LYS 20 3.059 -4.868 0.306
123 HZ2 LYS 20 1HZ LYS 20 2.866 -3.247 0.752
124 HZ3 LYS 20 2HZ LYS 20 3.834 -3.649 -0.575
125 H GLY 21 H GLY 21 -2.049 -3.578 -2.660
126 HA2 GLY 21 1HA GLY 21 -3.765 -3.925 -5.008
127 HA3 GLY 21 2HA GLY 21 -3.827 -5.165 -3.763
128 H TYR 22 H TYR 22 -5.478 -2.648 -4.873
129 HA TYR 22 HA TYR 22 -6.526 -1.973 -2.207
130 HB2 TYR 22 1HB TYR 22 -5.974 -0.109 -4.514
131 HB3 TYR 22 2HB TYR 22 -7.052 0.317 -3.190
132 HD1 TYR 22 HD2 TYR 22 -3.558 -0.440 -4.089
133 HD2 TYR 22 HD1 TYR 22 -6.193 0.941 -1.047
134 HE1 TYR 22 HE2 TYR 22 -1.627 0.328 -2.773
135 HE2 TYR 22 HE1 TYR 22 -4.270 1.714 0.276
136 HH TYR 22 HH TYR 22 -1.984 2.311 0.027
137 H LYS 23 H LYS 23 -8.662 -2.199 -1.978
138 HA LYS 23 HA LYS 23 -10.237 -3.489 -3.878
139 HB2 LYS 23 1HB LYS 23 -10.591 -3.225 -1.334
140 HB3 LYS 23 2HB LYS 23 -11.403 -1.719 -1.743
141 HG2 LYS 23 1HG LYS 23 -13.189 -2.774 -2.688
142 HG3 LYS 23 2HG LYS 23 -12.246 -4.191 -3.157
143 HD2 LYS 23 1HD LYS 23 -13.458 -5.080 -1.433
144 HD3 LYS 23 2HD LYS 23 -12.053 -4.494 -0.540
145 HE2 LYS 23 1HE LYS 23 -13.374 -2.341 -0.204
146 HE3 LYS 23 2HE LYS 23 -14.777 -3.243 -0.774
147 HZ1 LYS 23 3HZ LYS 23 -15.000 -3.749 1.383
148 HZ2 LYS 23 1HZ LYS 23 -13.388 -3.397 1.757
149 HZ3 LYS 23 2HZ LYS 23 -13.792 -4.896 1.087
150 H ARG 24 H ARG 24 -9.879 -0.054 -3.162
151 HA ARG 24 HA ARG 24 -11.601 0.549 -5.475
152 HB2 ARG 24 1HB ARG 24 -12.595 1.521 -3.558
153 HB3 ARG 24 2HB ARG 24 -11.048 2.096 -2.952
154 HG2 ARG 24 1HG ARG 24 -10.922 3.762 -4.665
155 HG3 ARG 24 2HG ARG 24 -12.353 3.109 -5.466
156 HD2 ARG 24 1HD ARG 24 -12.824 5.141 -4.135
157 HD3 ARG 24 2HD ARG 24 -13.742 3.734 -3.601
158 HE ARG 24 HE ARG 24 -11.543 3.709 -2.010
159 HH11 ARG 24 1HH1 ARG 24 -13.952 6.104 -2.774
160 HH12 ARG 24 2HH1 ARG 24 -13.850 6.887 -1.232
161 HH21 ARG 24 1HH2 ARG 24 -11.399 4.733 0.023
162 HH22 ARG 24 2HH2 ARG 24 -12.396 6.107 0.358
163 H ARG 25 H ARG 25 -10.894 1.999 -7.024
164 HA ARG 25 HA ARG 25 -8.118 2.088 -7.510
165 HB2 ARG 25 1HB ARG 25 -9.795 2.154 -9.305
166 HB3 ARG 25 2HB ARG 25 -10.328 3.736 -8.752
167 HG2 ARG 25 1HG ARG 25 -8.925 4.050 -10.647
168 HG3 ARG 25 2HG ARG 25 -8.039 4.595 -9.222
169 HD2 ARG 25 1HD ARG 25 -7.029 2.245 -9.180
170 HD3 ARG 25 2HD ARG 25 -7.662 2.080 -10.817
171 HE ARG 25 HE ARG 25 -5.351 3.535 -10.022
172 HH11 ARG 25 1HH1 ARG 25 -7.990 3.528 -12.294
173 HH12 ARG 25 2HH1 ARG 25 -7.126 4.422 -13.500
174 HH21 ARG 25 1HH2 ARG 25 -4.203 4.713 -11.602
175 HH22 ARG 25 2HH2 ARG 25 -4.972 5.095 -13.106
176 H LEU 26 H LEU 26 -10.401 4.545 -6.359
177 HA LEU 26 HA LEU 26 -8.777 6.765 -6.316
178 HB2 LEU 26 1HB LEU 26 -11.229 6.567 -5.693
179 HB3 LEU 26 2HB LEU 26 -10.680 6.084 -4.090
180 HG LEU 26 HG LEU 26 -11.299 8.421 -4.094
181 HD11 LEU 26 1HD1 LEU 26 -9.147 7.452 -2.930
182 HD12 LEU 26 2HD1 LEU 26 -9.513 9.176 -2.888
183 HD13 LEU 26 3HD1 LEU 26 -8.329 8.554 -4.037
184 HD21 LEU 26 3HD2 LEU 26 -11.032 9.599 -5.960
185 HD22 LEU 26 1HD2 LEU 26 -9.916 8.407 -6.626
186 HD23 LEU 26 2HD2 LEU 26 -9.312 9.691 -5.578
187 H ASP 27 H ASP 27 -9.033 4.206 -3.879
188 HA ASP 27 HA ASP 27 -7.342 5.307 -1.951
189 HB2 ASP 27 1HB ASP 27 -7.865 2.413 -2.652
190 HB3 ASP 27 2HB ASP 27 -6.994 2.937 -1.214
191 H LEU 28 H LEU 28 -6.534 2.931 -4.487
192 HA LEU 28 HA LEU 28 -3.785 2.849 -4.002
193 HB2 LEU 28 1HB LEU 28 -4.658 1.152 -5.348
194 HB3 LEU 28 2HB LEU 28 -5.464 2.295 -6.420
195 HG LEU 28 HG LEU 28 -2.938 2.977 -6.933
196 HD11 LEU 28 1HD1 LEU 28 -1.716 0.717 -7.126
197 HD12 LEU 28 2HD1 LEU 28 -2.827 0.183 -5.866
198 HD13 LEU 28 3HD1 LEU 28 -1.739 1.537 -5.564
199 HD21 LEU 28 3HD2 LEU 28 -3.185 0.871 -8.633
200 HD22 LEU 28 1HD2 LEU 28 -3.979 2.432 -8.845
201 HD23 LEU 28 2HD2 LEU 28 -4.854 1.091 -8.105
202 H ASP 29 H ASP 29 -5.653 4.881 -6.232
203 HA ASP 29 HA ASP 29 -3.650 6.185 -7.571
204 HB2 ASP 29 1HB ASP 29 -6.051 6.529 -8.006
205 HB3 ASP 29 2HB ASP 29 -6.189 7.437 -6.503
206 H PHE 30 H PHE 30 -4.704 6.665 -4.265
207 HA PHE 30 HA PHE 30 -3.089 9.029 -3.892
208 HB2 PHE 30 1HB PHE 30 -5.317 8.271 -2.672
209 HB3 PHE 30 2HB PHE 30 -4.180 7.476 -1.588
210 HD1 PHE 30 HD1 PHE 30 -2.439 8.858 -0.427
211 HD2 PHE 30 HD2 PHE 30 -5.700 10.582 -2.552
212 HE1 PHE 30 HE1 PHE 30 -2.091 10.981 0.767
213 HE2 PHE 30 HE2 PHE 30 -5.357 12.707 -1.362
214 HZ PHE 30 HZ PHE 30 -3.550 12.910 0.299
215 H HIS 31 H HIS 31 -2.699 5.623 -3.598
216 HA HIS 31 HA HIS 31 -0.564 5.631 -1.712
217 HB2 HIS 31 1HB HIS 31 -1.512 3.542 -1.819
218 HB3 HIS 31 2HB HIS 31 -1.784 3.636 -3.557
219 HD1 HIS 31 HD1 HIS 31 0.947 2.921 -1.055
220 HD2 HIS 31 HD2 HIS 31 0.175 2.494 -5.114
221 HE1 HIS 31 HE1 HIS 31 2.822 1.505 -1.951
222 H GLN 32 H GLN 32 -0.698 5.455 -5.256
223 HA GLN 32 HA GLN 32 1.945 5.103 -5.870
224 HB2 GLN 32 1HB GLN 32 -0.162 6.777 -7.223
225 HB3 GLN 32 2HB GLN 32 1.447 6.575 -7.904
226 HG2 GLN 32 1HG GLN 32 1.124 4.331 -8.345
227 HG3 GLN 32 2HG GLN 32 -0.178 4.182 -7.165
228 HE21 GLN 32 1HE2 GLN 32 -1.704 3.354 -8.504
229 HE22 GLN 32 2HE2 GLN 32 -2.388 4.216 -9.836
230 H ARG 33 H ARG 33 0.496 7.819 -4.350
231 HA ARG 33 HA ARG 33 2.081 9.948 -5.017
232 HB2 ARG 33 1HB ARG 33 0.847 9.122 -2.407
233 HB3 ARG 33 2HB ARG 33 1.816 10.586 -2.514
234 HG2 ARG 33 1HG ARG 33 0.268 11.232 -4.454
235 HG3 ARG 33 2HG ARG 33 -0.791 9.959 -3.844
236 HD2 ARG 33 1HD ARG 33 -1.620 11.737 -2.678
237 HD3 ARG 33 2HD ARG 33 -0.375 11.200 -1.552
238 HE ARG 33 HE ARG 33 0.724 13.168 -1.907
239 HH11 ARG 33 1HH1 ARG 33 -1.510 12.645 -4.526
240 HH12 ARG 33 2HH1 ARG 33 -1.231 14.196 -5.247
241 HH21 ARG 33 1HH2 ARG 33 1.100 15.212 -2.847
242 HH22 ARG 33 2HH2 ARG 33 0.255 15.655 -4.291
243 H VAL 34 H VAL 34 2.866 7.267 -2.868
244 HA VAL 34 HA VAL 34 5.295 8.318 -1.872
245 HB VAL 34 HB VAL 34 5.784 6.117 -1.072
246 HG11 VAL 34 1HG1 VAL 34 2.848 6.771 -0.992
247 HG12 VAL 34 2HG1 VAL 34 3.576 5.487 -0.025
248 HG13 VAL 34 3HG1 VAL 34 4.084 7.160 0.205
249 HG21 VAL 34 3HG2 VAL 34 4.288 4.189 -1.771
250 HG22 VAL 34 1HG2 VAL 34 3.769 5.211 -3.112
251 HG23 VAL 34 2HG2 VAL 34 5.463 4.743 -2.964
252 H HIS 35 H HIS 35 4.483 6.448 -4.733
253 HA HIS 35 HA HIS 35 7.205 5.927 -5.467
254 HB2 HIS 35 1HB HIS 35 4.603 5.687 -6.982
255 HB3 HIS 35 2HB HIS 35 6.164 5.243 -7.666
256 HD1 HIS 35 HD1 HIS 35 7.474 3.313 -6.239
257 HD2 HIS 35 HD2 HIS 35 3.383 3.685 -5.617
258 HE1 HIS 35 HE1 HIS 35 6.757 1.151 -5.173
259 H THR 36 H THR 36 4.809 8.374 -6.228
260 HA THR 36 HA THR 36 6.178 9.555 -8.405
261 HB THR 36 HB THR 36 4.692 11.441 -8.147
262 HG1 THR 36 HG1 THR 36 4.046 10.296 -5.615
263 HG21 THR 36 3HG2 THR 36 2.485 10.251 -8.023
264 HG22 THR 36 1HG2 THR 36 3.366 8.795 -7.564
265 HG23 THR 36 2HG2 THR 36 3.645 9.534 -9.141
266 H GLY 37 H GLY 37 6.094 10.312 -4.934
267 HA2 GLY 37 1HA GLY 37 8.743 11.125 -4.744
268 HA3 GLY 37 2HA GLY 37 7.808 12.568 -5.107
269 H GLU 38 H GLU 38 5.453 11.625 -3.645
270 HA GLU 38 HA GLU 38 5.608 12.882 -1.292
271 HB2 GLU 38 1HB GLU 38 3.557 11.818 -2.099
272 HB3 GLU 38 2HB GLU 38 4.215 10.233 -1.715
273 HG2 GLU 38 1HG GLU 38 4.408 11.161 0.689
274 HG3 GLU 38 2HG GLU 38 3.261 12.378 0.131
275 H LYS 39 H LYS 39 6.957 9.722 -1.962
276 HA LYS 39 HA LYS 39 7.571 9.046 0.731
277 HB2 LYS 39 1HB LYS 39 7.424 7.299 -0.920
278 HB3 LYS 39 2HB LYS 39 8.676 8.053 -1.899
279 HG2 LYS 39 1HG LYS 39 9.812 6.337 -0.862
280 HG3 LYS 39 2HG LYS 39 10.175 7.714 0.180
281 HD2 LYS 39 1HD LYS 39 9.579 6.177 1.764
282 HD3 LYS 39 2HD LYS 39 7.998 6.888 1.432
283 HE2 LYS 39 1HE LYS 39 7.674 5.050 -0.272
284 HE3 LYS 39 2HE LYS 39 9.122 4.296 0.391
285 HZ1 LYS 39 3HZ LYS 39 7.787 3.345 1.867
286 HZ2 LYS 39 1HZ LYS 39 6.464 4.295 1.410
287 HZ3 LYS 39 2HZ LYS 39 7.555 4.867 2.568
288 H LEU 40 H LEU 40 9.550 10.319 -1.941
289 HA LEU 40 HA LEU 40 11.865 10.661 -0.299
290 HB2 LEU 40 1HB LEU 40 12.455 10.391 -2.492
291 HB3 LEU 40 2HB LEU 40 11.091 11.334 -3.087
292 HG LEU 40 HG LEU 40 12.270 13.395 -2.317
293 HD11 LEU 40 1HD1 LEU 40 14.897 12.196 -2.262
294 HD12 LEU 40 2HD1 LEU 40 13.882 11.590 -0.954
295 HD13 LEU 40 3HD1 LEU 40 14.147 13.324 -1.132
296 HD21 LEU 40 3HD2 LEU 40 12.517 12.026 -4.637
297 HD22 LEU 40 1HD2 LEU 40 14.206 12.144 -4.143
298 HD23 LEU 40 2HD2 LEU 40 13.240 13.607 -4.336
299 H SER 41 H SER 41 11.997 12.141 1.246
300 HA SER 41 HA SER 41 10.827 14.799 0.744
301 HB2 SER 41 1HB SER 41 9.563 13.575 2.472
302 HB3 SER 41 2HB SER 41 11.045 13.372 3.407
303 HG SER 41 HG SER 41 11.029 15.460 3.926
304 H GLY 42 H GLY 42 13.369 12.997 2.441
305 HA2 GLY 42 1HA GLY 42 15.552 14.399 1.741
306 HA3 GLY 42 2HA GLY 42 14.859 15.425 2.989
307 HA PRO 43 HA PRO 43 16.142 11.225 5.066
308 HB2 PRO 43 1HB PRO 43 17.870 9.702 3.629
309 HB3 PRO 43 2HB PRO 43 16.115 9.514 3.533
310 HG2 PRO 43 1HG PRO 43 17.967 10.966 1.684
311 HG3 PRO 43 2HG PRO 43 16.603 9.903 1.293
312 HD2 PRO 43 1HD PRO 43 16.414 12.602 1.215
313 HD3 PRO 43 2HD PRO 43 15.044 11.561 1.652
314 H SER 44 H SER 44 18.485 10.244 5.619
315 HA SER 44 HA SER 44 20.432 12.446 5.472
316 HB2 SER 44 1HB SER 44 21.024 12.109 7.801
317 HB3 SER 44 2HB SER 44 19.290 12.405 7.687
318 HG SER 44 HG SER 44 20.136 10.544 9.024
319 H SER 45 H SER 45 22.470 11.873 4.992
320 HA SER 45 HA SER 45 22.983 9.073 4.408
321 HB2 SER 45 1HB SER 45 23.611 11.214 2.978
322 HB3 SER 45 2HB SER 45 25.050 11.193 3.999
323 HG SER 45 HG SER 45 24.135 8.916 2.587
324 H GLY 46 H GLY 46 24.211 7.747 5.595
325 HA2 GLY 46 1HA GLY 46 26.203 8.810 7.426
326 HA3 GLY 46 2HA GLY 46 24.843 7.995 8.183
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 11.095 -12.564 4.087
2 HA2 GLY 1 1HA GLY 1 9.250 -13.175 2.733
3 HA3 GLY 1 2HA GLY 1 9.173 -14.715 3.577
4 H SER 2 H SER 2 9.024 -14.018 6.186
5 HA SER 2 HA SER 2 7.400 -13.585 7.736
6 HB2 SER 2 1HB SER 2 8.573 -11.292 7.104
7 HB3 SER 2 2HB SER 2 6.963 -10.900 6.501
8 HG SER 2 HG SER 2 7.764 -10.708 8.954
9 H SER 3 H SER 3 6.378 -14.977 5.563
10 HA SER 3 HA SER 3 3.867 -13.695 4.829
11 HB2 SER 3 1HB SER 3 5.215 -16.257 3.981
12 HB3 SER 3 2HB SER 3 3.554 -15.881 3.525
13 HG SER 3 HG SER 3 5.884 -14.918 2.515
14 H GLY 4 H GLY 4 1.820 -14.583 5.280
15 HA2 GLY 4 1HA GLY 4 1.464 -16.905 6.889
16 HA3 GLY 4 2HA GLY 4 1.375 -15.449 7.870
17 H SER 5 H SER 5 -0.619 -14.763 8.205
18 HA SER 5 HA SER 5 -2.617 -15.169 6.075
19 HB2 SER 5 1HB SER 5 -4.310 -15.303 7.944
20 HB3 SER 5 2HB SER 5 -3.181 -16.656 7.871
21 HG SER 5 HG SER 5 -3.538 -15.704 10.004
22 H SER 6 H SER 6 -1.047 -12.880 6.186
23 HA SER 6 HA SER 6 -1.868 -10.711 7.624
24 HB2 SER 6 1HB SER 6 -0.040 -10.669 5.956
25 HB3 SER 6 2HB SER 6 -1.237 -10.704 4.661
26 HG SER 6 HG SER 6 -1.643 -8.656 4.978
27 H GLY 7 H GLY 7 -3.183 -11.494 4.394
28 HA2 GLY 7 1HA GLY 7 -5.743 -11.650 4.484
29 HA3 GLY 7 2HA GLY 7 -5.625 -10.027 5.147
30 H SER 8 H SER 8 -6.323 -11.645 2.426
31 HA SER 8 HA SER 8 -5.824 -9.309 0.772
32 HB2 SER 8 1HB SER 8 -4.841 -12.047 -0.068
33 HB3 SER 8 2HB SER 8 -4.749 -10.567 -1.022
34 HG SER 8 HG SER 8 -3.576 -9.842 1.078
35 H GLY 9 H GLY 9 -6.887 -9.554 -1.407
36 HA2 GLY 9 1HA GLY 9 -8.987 -11.550 -1.572
37 HA3 GLY 9 2HA GLY 9 -9.546 -9.906 -1.303
38 H GLU 10 H GLU 10 -6.788 -10.931 -3.261
39 HA GLU 10 HA GLU 10 -6.237 -10.226 -5.390
40 HB2 GLU 10 1HB GLU 10 -7.693 -12.415 -5.444
41 HB3 GLU 10 2HB GLU 10 -8.873 -11.371 -6.223
42 HG2 GLU 10 1HG GLU 10 -7.563 -11.051 -8.090
43 HG3 GLU 10 2HG GLU 10 -6.071 -11.451 -7.240
44 H LYS 11 H LYS 11 -7.045 -7.992 -4.271
45 HA LYS 11 HA LYS 11 -9.309 -6.668 -5.054
46 HB2 LYS 11 1HB LYS 11 -6.515 -5.786 -4.491
47 HB3 LYS 11 2HB LYS 11 -7.633 -4.615 -5.177
48 HG2 LYS 11 1HG LYS 11 -7.795 -4.290 -2.879
49 HG3 LYS 11 2HG LYS 11 -9.208 -5.272 -3.275
50 HD2 LYS 11 1HD LYS 11 -8.320 -6.271 -1.350
51 HD3 LYS 11 2HD LYS 11 -7.749 -7.287 -2.675
52 HE2 LYS 11 1HE LYS 11 -5.642 -5.849 -2.641
53 HE3 LYS 11 2HE LYS 11 -6.220 -5.241 -1.091
54 HZ1 LYS 11 3HZ LYS 11 -5.023 -7.775 -1.732
55 HZ2 LYS 11 1HZ LYS 11 -6.433 -7.921 -0.808
56 HZ3 LYS 11 2HZ LYS 11 -5.145 -6.982 -0.242
57 HA PRO 12 HA PRO 12 -9.200 -6.186 -9.420
58 HB2 PRO 12 1HB PRO 12 -10.550 -3.846 -9.687
59 HB3 PRO 12 2HB PRO 12 -11.340 -5.366 -9.249
60 HG2 PRO 12 1HG PRO 12 -10.473 -3.106 -7.488
61 HG3 PRO 12 2HG PRO 12 -11.977 -4.044 -7.445
62 HD2 PRO 12 1HD PRO 12 -9.919 -4.512 -5.749
63 HD3 PRO 12 2HD PRO 12 -10.997 -5.802 -6.322
64 H TYR 13 H TYR 13 -8.383 -3.267 -7.558
65 HA TYR 13 HA TYR 13 -6.632 -2.387 -9.737
66 HB2 TYR 13 1HB TYR 13 -7.305 -0.851 -7.229
67 HB3 TYR 13 2HB TYR 13 -6.653 -0.224 -8.739
68 HD1 TYR 13 HD1 TYR 13 -8.117 -0.118 -10.759
69 HD2 TYR 13 HD2 TYR 13 -9.645 -1.115 -6.915
70 HE1 TYR 13 HE1 TYR 13 -10.395 0.377 -11.543
71 HE2 TYR 13 HE2 TYR 13 -11.927 -0.624 -7.688
72 HH TYR 13 HH TYR 13 -12.747 -0.298 -10.911
73 H LYS 14 H LYS 14 -4.450 -2.105 -9.490
74 HA LYS 14 HA LYS 14 -3.220 -2.618 -6.899
75 HB2 LYS 14 1HB LYS 14 -2.508 -4.234 -9.354
76 HB3 LYS 14 2HB LYS 14 -1.722 -4.335 -7.784
77 HG2 LYS 14 1HG LYS 14 -3.114 -6.115 -7.609
78 HG3 LYS 14 2HG LYS 14 -4.192 -4.861 -6.992
79 HD2 LYS 14 1HD LYS 14 -5.512 -6.007 -8.534
80 HD3 LYS 14 2HD LYS 14 -4.945 -4.603 -9.441
81 HE2 LYS 14 1HE LYS 14 -4.707 -6.491 -10.862
82 HE3 LYS 14 2HE LYS 14 -3.089 -6.047 -10.321
83 HZ1 LYS 14 3HZ LYS 14 -3.415 -8.431 -10.219
84 HZ2 LYS 14 1HZ LYS 14 -4.753 -8.238 -9.201
85 HZ3 LYS 14 2HZ LYS 14 -3.210 -7.806 -8.660
86 H CYS 15 H CYS 15 -0.856 -2.201 -6.944
87 HA CYS 15 HA CYS 15 -0.328 0.158 -8.542
88 HB2 CYS 15 1HB CYS 15 0.209 -0.032 -6.074
89 HB3 CYS 15 2HB CYS 15 1.501 -1.141 -6.521
90 H VAL 16 H VAL 16 1.603 0.443 -9.791
91 HA VAL 16 HA VAL 16 2.449 -2.047 -11.095
92 HB VAL 16 HB VAL 16 1.457 -0.267 -12.520
93 HG11 VAL 16 1HG1 VAL 16 3.719 1.285 -11.359
94 HG12 VAL 16 2HG1 VAL 16 3.218 1.620 -13.018
95 HG13 VAL 16 3HG1 VAL 16 2.062 1.785 -11.696
96 HG21 VAL 16 3HG2 VAL 16 3.005 -0.507 -14.298
97 HG22 VAL 16 1HG2 VAL 16 4.361 -0.693 -13.186
98 HG23 VAL 16 2HG2 VAL 16 3.148 -1.966 -13.318
99 H GLU 17 H GLU 17 3.542 0.341 -8.953
100 HA GLU 17 HA GLU 17 6.341 0.137 -9.646
101 HB2 GLU 17 1HB GLU 17 4.909 1.463 -7.341
102 HB3 GLU 17 2HB GLU 17 6.653 1.501 -7.557
103 HG2 GLU 17 1HG GLU 17 6.134 3.468 -8.543
104 HG3 GLU 17 2HG GLU 17 5.967 2.412 -9.945
105 H CYS 18 H CYS 18 4.334 -0.804 -6.856
106 HA CYS 18 HA CYS 18 6.439 -2.707 -6.078
107 HB2 CYS 18 1HB CYS 18 5.308 -2.713 -3.852
108 HB3 CYS 18 2HB CYS 18 5.945 -1.139 -4.315
109 H GLY 19 H GLY 19 2.978 -2.369 -6.679
110 HA2 GLY 19 1HA GLY 19 1.842 -4.176 -7.837
111 HA3 GLY 19 2HA GLY 19 2.836 -5.306 -6.929
112 H LYS 20 H LYS 20 1.649 -2.635 -5.156
113 HA LYS 20 HA LYS 20 0.291 -4.194 -3.283
114 HB2 LYS 20 1HB LYS 20 1.122 -1.667 -3.278
115 HB3 LYS 20 2HB LYS 20 -0.558 -1.366 -3.698
116 HG2 LYS 20 1HG LYS 20 -0.465 -1.184 -1.369
117 HG3 LYS 20 2HG LYS 20 -1.160 -2.777 -1.674
118 HD2 LYS 20 1HD LYS 20 0.440 -3.101 0.026
119 HD3 LYS 20 2HD LYS 20 1.201 -3.687 -1.455
120 HE2 LYS 20 1HE LYS 20 2.420 -1.593 -1.676
121 HE3 LYS 20 2HE LYS 20 1.622 -0.958 -0.238
122 HZ1 LYS 20 3HZ LYS 20 3.576 -1.700 0.642
123 HZ2 LYS 20 1HZ LYS 20 3.733 -2.982 -0.451
124 HZ3 LYS 20 2HZ LYS 20 2.639 -3.095 0.833
125 H GLY 21 H GLY 21 -2.036 -4.081 -2.731
126 HA2 GLY 21 1HA GLY 21 -3.721 -3.921 -5.153
127 HA3 GLY 21 2HA GLY 21 -3.854 -5.260 -4.022
128 H TYR 22 H TYR 22 -5.393 -2.599 -4.964
129 HA TYR 22 HA TYR 22 -6.483 -2.090 -2.275
130 HB2 TYR 22 1HB TYR 22 -5.956 -0.121 -4.501
131 HB3 TYR 22 2HB TYR 22 -7.004 0.240 -3.134
132 HD1 TYR 22 HD2 TYR 22 -3.541 -0.368 -4.190
133 HD2 TYR 22 HD1 TYR 22 -6.089 0.651 -0.938
134 HE1 TYR 22 HE2 TYR 22 -1.580 0.334 -2.881
135 HE2 TYR 22 HE1 TYR 22 -4.136 1.358 0.379
136 HH TYR 22 HH TYR 22 -1.645 2.239 -0.353
137 H LYS 23 H LYS 23 -8.634 -2.258 -2.056
138 HA LYS 23 HA LYS 23 -10.193 -3.441 -4.082
139 HB2 LYS 23 1HB LYS 23 -10.498 -3.468 -1.504
140 HB3 LYS 23 2HB LYS 23 -11.386 -1.970 -1.750
141 HG2 LYS 23 1HG LYS 23 -13.020 -3.057 -3.083
142 HG3 LYS 23 2HG LYS 23 -12.056 -4.534 -3.170
143 HD2 LYS 23 1HD LYS 23 -13.109 -3.405 -0.584
144 HD3 LYS 23 2HD LYS 23 -13.999 -4.579 -1.557
145 HE2 LYS 23 1HE LYS 23 -11.684 -5.869 -1.425
146 HE3 LYS 23 2HE LYS 23 -11.523 -4.917 0.051
147 HZ1 LYS 23 3HZ LYS 23 -12.992 -7.258 -0.333
148 HZ2 LYS 23 1HZ LYS 23 -14.102 -6.017 -0.038
149 HZ3 LYS 23 2HZ LYS 23 -12.865 -6.327 1.074
150 H ARG 24 H ARG 24 -9.763 -0.115 -3.061
151 HA ARG 24 HA ARG 24 -11.658 0.736 -5.149
152 HB2 ARG 24 1HB ARG 24 -12.189 1.434 -2.807
153 HB3 ARG 24 2HB ARG 24 -10.682 2.341 -2.782
154 HG2 ARG 24 1HG ARG 24 -11.455 3.820 -4.483
155 HG3 ARG 24 2HG ARG 24 -12.883 2.823 -4.774
156 HD2 ARG 24 1HD ARG 24 -12.256 4.301 -2.220
157 HD3 ARG 24 2HD ARG 24 -13.411 4.817 -3.448
158 HE ARG 24 HE ARG 24 -13.872 2.189 -2.323
159 HH11 ARG 24 1HH1 ARG 24 -14.586 5.593 -2.188
160 HH12 ARG 24 2HH1 ARG 24 -16.080 5.379 -1.338
161 HH21 ARG 24 1HH2 ARG 24 -15.837 1.894 -1.204
162 HH22 ARG 24 2HH2 ARG 24 -16.791 3.274 -0.778
163 H ARG 25 H ARG 25 -10.954 1.957 -6.804
164 HA ARG 25 HA ARG 25 -8.239 2.119 -7.429
165 HB2 ARG 25 1HB ARG 25 -9.961 2.220 -9.142
166 HB3 ARG 25 2HB ARG 25 -10.556 3.742 -8.494
167 HG2 ARG 25 1HG ARG 25 -9.308 4.494 -10.249
168 HG3 ARG 25 2HG ARG 25 -8.102 4.538 -8.961
169 HD2 ARG 25 1HD ARG 25 -7.160 2.460 -9.682
170 HD3 ARG 25 2HD ARG 25 -8.472 2.207 -10.833
171 HE ARG 25 HE ARG 25 -7.370 3.548 -12.316
172 HH11 ARG 25 1HH1 ARG 25 -6.088 4.105 -9.128
173 HH12 ARG 25 2HH1 ARG 25 -4.805 5.130 -9.680
174 HH21 ARG 25 1HH2 ARG 25 -5.686 4.897 -13.056
175 HH22 ARG 25 2HH2 ARG 25 -4.578 5.581 -11.915
176 H LEU 26 H LEU 26 -10.395 4.469 -5.922
177 HA LEU 26 HA LEU 26 -8.741 6.710 -5.996
178 HB2 LEU 26 1HB LEU 26 -11.195 6.414 -5.202
179 HB3 LEU 26 2HB LEU 26 -10.467 6.111 -3.626
180 HG LEU 26 HG LEU 26 -11.169 8.404 -3.743
181 HD11 LEU 26 1HD1 LEU 26 -9.315 9.264 -2.792
182 HD12 LEU 26 2HD1 LEU 26 -8.277 8.812 -4.144
183 HD13 LEU 26 3HD1 LEU 26 -8.732 7.607 -2.940
184 HD21 LEU 26 3HD2 LEU 26 -11.078 9.645 -5.586
185 HD22 LEU 26 1HD2 LEU 26 -10.498 8.212 -6.436
186 HD23 LEU 26 2HD2 LEU 26 -9.345 9.365 -5.765
187 H ASP 27 H ASP 27 -8.933 4.102 -3.606
188 HA ASP 27 HA ASP 27 -7.146 5.124 -1.726
189 HB2 ASP 27 1HB ASP 27 -8.076 2.385 -2.462
190 HB3 ASP 27 2HB ASP 27 -6.691 2.534 -1.383
191 H LEU 28 H LEU 28 -6.501 2.957 -4.476
192 HA LEU 28 HA LEU 28 -3.714 2.810 -4.077
193 HB2 LEU 28 1HB LEU 28 -4.657 1.139 -5.414
194 HB3 LEU 28 2HB LEU 28 -5.507 2.306 -6.425
195 HG LEU 28 HG LEU 28 -3.005 2.995 -7.035
196 HD11 LEU 28 1HD1 LEU 28 -2.362 1.013 -5.401
197 HD12 LEU 28 2HD1 LEU 28 -1.427 1.366 -6.854
198 HD13 LEU 28 3HD1 LEU 28 -2.611 0.059 -6.864
199 HD21 LEU 28 3HD2 LEU 28 -4.834 0.923 -8.154
200 HD22 LEU 28 1HD2 LEU 28 -3.236 1.140 -8.870
201 HD23 LEU 28 2HD2 LEU 28 -4.368 2.492 -8.814
202 H ASP 29 H ASP 29 -5.690 4.864 -6.194
203 HA ASP 29 HA ASP 29 -3.756 6.210 -7.588
204 HB2 ASP 29 1HB ASP 29 -6.303 6.476 -7.698
205 HB3 ASP 29 2HB ASP 29 -6.122 7.646 -6.394
206 H PHE 30 H PHE 30 -4.697 6.653 -4.238
207 HA PHE 30 HA PHE 30 -3.062 9.006 -3.896
208 HB2 PHE 30 1HB PHE 30 -5.248 8.239 -2.607
209 HB3 PHE 30 2HB PHE 30 -4.076 7.433 -1.570
210 HD1 PHE 30 HD1 PHE 30 -2.234 8.836 -0.536
211 HD2 PHE 30 HD2 PHE 30 -5.685 10.515 -2.375
212 HE1 PHE 30 HE1 PHE 30 -1.842 10.948 0.665
213 HE2 PHE 30 HE2 PHE 30 -5.299 12.630 -1.178
214 HZ PHE 30 HZ PHE 30 -3.375 12.849 0.344
215 H HIS 31 H HIS 31 -2.667 5.598 -3.655
216 HA HIS 31 HA HIS 31 -0.435 5.624 -1.863
217 HB2 HIS 31 1HB HIS 31 -1.453 3.557 -1.844
218 HB3 HIS 31 2HB HIS 31 -1.782 3.584 -3.574
219 HD1 HIS 31 HD1 HIS 31 0.984 2.869 -1.121
220 HD2 HIS 31 HD2 HIS 31 0.139 2.394 -5.161
221 HE1 HIS 31 HE1 HIS 31 2.812 1.395 -2.021
222 H GLN 32 H GLN 32 -0.775 5.220 -5.382
223 HA GLN 32 HA GLN 32 1.839 4.857 -6.107
224 HB2 GLN 32 1HB GLN 32 -0.365 6.387 -7.476
225 HB3 GLN 32 2HB GLN 32 1.208 6.146 -8.224
226 HG2 GLN 32 1HG GLN 32 0.911 3.745 -8.143
227 HG3 GLN 32 2HG GLN 32 -0.632 3.945 -7.315
228 HE21 GLN 32 1HE2 GLN 32 -2.025 3.156 -8.768
229 HE22 GLN 32 2HE2 GLN 32 -2.221 3.754 -10.377
230 H ARG 33 H ARG 33 0.408 7.674 -4.754
231 HA ARG 33 HA ARG 33 2.066 9.697 -5.698
232 HB2 ARG 33 1HB ARG 33 0.621 9.308 -3.090
233 HB3 ARG 33 2HB ARG 33 1.604 10.736 -3.381
234 HG2 ARG 33 1HG ARG 33 0.228 11.392 -5.222
235 HG3 ARG 33 2HG ARG 33 -0.670 9.875 -5.151
236 HD2 ARG 33 1HD ARG 33 -1.655 10.459 -3.070
237 HD3 ARG 33 2HD ARG 33 -0.568 11.832 -2.867
238 HE ARG 33 HE ARG 33 -2.965 11.726 -4.482
239 HH11 ARG 33 1HH1 ARG 33 0.013 13.393 -3.794
240 HH12 ARG 33 2HH1 ARG 33 -0.517 14.893 -4.480
241 HH21 ARG 33 1HH2 ARG 33 -3.674 13.696 -5.388
242 HH22 ARG 33 2HH2 ARG 33 -2.614 15.065 -5.385
243 H VAL 34 H VAL 34 2.559 7.408 -3.052
244 HA VAL 34 HA VAL 34 4.907 8.522 -1.996
245 HB VAL 34 HB VAL 34 5.355 6.280 -1.062
246 HG11 VAL 34 1HG1 VAL 34 3.672 7.922 -0.101
247 HG12 VAL 34 2HG1 VAL 34 2.424 6.892 -0.804
248 HG13 VAL 34 3HG1 VAL 34 3.521 6.242 0.414
249 HG21 VAL 34 3HG2 VAL 34 3.729 5.454 -3.261
250 HG22 VAL 34 1HG2 VAL 34 4.659 4.466 -2.136
251 HG23 VAL 34 2HG2 VAL 34 2.993 4.903 -1.756
252 H HIS 35 H HIS 35 4.339 6.735 -4.886
253 HA HIS 35 HA HIS 35 7.125 5.993 -5.228
254 HB2 HIS 35 1HB HIS 35 4.670 5.617 -6.944
255 HB3 HIS 35 2HB HIS 35 6.284 5.146 -7.469
256 HD1 HIS 35 HD1 HIS 35 7.486 3.319 -5.853
257 HD2 HIS 35 HD2 HIS 35 3.367 3.728 -5.488
258 HE1 HIS 35 HE1 HIS 35 6.705 1.237 -4.679
259 H THR 36 H THR 36 4.840 8.368 -6.431
260 HA THR 36 HA THR 36 6.595 9.378 -8.467
261 HB THR 36 HB THR 36 4.953 11.202 -8.702
262 HG1 THR 36 HG1 THR 36 3.942 10.040 -6.332
263 HG21 THR 36 3HG2 THR 36 4.646 8.680 -9.503
264 HG22 THR 36 1HG2 THR 36 3.417 9.911 -9.791
265 HG23 THR 36 2HG2 THR 36 3.241 8.788 -8.442
266 H GLY 37 H GLY 37 8.519 10.011 -7.524
267 HA2 GLY 37 1HA GLY 37 9.478 12.236 -6.943
268 HA3 GLY 37 2HA GLY 37 8.317 12.266 -5.624
269 H GLU 38 H GLU 38 10.554 9.767 -6.826
270 HA GLU 38 HA GLU 38 11.583 9.526 -4.078
271 HB2 GLU 38 1HB GLU 38 11.232 7.516 -6.284
272 HB3 GLU 38 2HB GLU 38 12.368 7.226 -4.973
273 HG2 GLU 38 1HG GLU 38 9.421 7.740 -4.645
274 HG3 GLU 38 2HG GLU 38 10.202 6.161 -4.581
275 H LYS 39 H LYS 39 13.810 9.304 -3.736
276 HA LYS 39 HA LYS 39 15.441 10.624 -5.741
277 HB2 LYS 39 1HB LYS 39 16.050 9.726 -2.920
278 HB3 LYS 39 2HB LYS 39 17.190 10.574 -3.956
279 HG2 LYS 39 1HG LYS 39 15.503 12.434 -4.105
280 HG3 LYS 39 2HG LYS 39 14.600 11.604 -2.835
281 HD2 LYS 39 1HD LYS 39 16.611 11.715 -1.393
282 HD3 LYS 39 2HD LYS 39 17.427 12.644 -2.653
283 HE2 LYS 39 1HE LYS 39 15.920 14.457 -2.416
284 HE3 LYS 39 2HE LYS 39 14.816 13.501 -1.428
285 HZ1 LYS 39 3HZ LYS 39 16.932 13.347 0.095
286 HZ2 LYS 39 1HZ LYS 39 15.883 14.671 0.182
287 HZ3 LYS 39 2HZ LYS 39 17.331 14.794 -0.683
288 H LEU 40 H LEU 40 14.596 8.099 -6.562
289 HA LEU 40 HA LEU 40 16.951 6.381 -6.246
290 HB2 LEU 40 1HB LEU 40 14.213 5.827 -7.374
291 HB3 LEU 40 2HB LEU 40 15.534 4.661 -7.359
292 HG LEU 40 HG LEU 40 14.319 5.871 -4.878
293 HD11 LEU 40 1HD1 LEU 40 13.866 3.045 -5.686
294 HD12 LEU 40 2HD1 LEU 40 12.891 4.306 -6.440
295 HD13 LEU 40 3HD1 LEU 40 12.876 4.111 -4.688
296 HD21 LEU 40 3HD2 LEU 40 15.593 3.333 -4.541
297 HD22 LEU 40 1HD2 LEU 40 15.969 4.878 -3.779
298 HD23 LEU 40 2HD2 LEU 40 16.710 4.453 -5.322
299 H SER 41 H SER 41 14.736 7.331 -8.880
300 HA SER 41 HA SER 41 16.024 6.545 -11.083
301 HB2 SER 41 1HB SER 41 13.958 8.006 -10.974
302 HB3 SER 41 2HB SER 41 15.039 9.393 -10.837
303 HG SER 41 HG SER 41 14.602 7.676 -13.010
304 H GLY 42 H GLY 42 17.991 6.707 -11.930
305 HA2 GLY 42 1HA GLY 42 19.511 9.121 -11.900
306 HA3 GLY 42 2HA GLY 42 20.136 7.965 -10.734
307 HA PRO 43 HA PRO 43 22.306 5.727 -13.814
308 HB2 PRO 43 1HB PRO 43 21.618 3.127 -13.445
309 HB3 PRO 43 2HB PRO 43 22.642 4.019 -12.313
310 HG2 PRO 43 1HG PRO 43 19.714 3.414 -12.148
311 HG3 PRO 43 2HG PRO 43 20.947 3.337 -10.875
312 HD2 PRO 43 1HD PRO 43 19.234 5.419 -11.119
313 HD3 PRO 43 2HD PRO 43 20.888 5.611 -10.505
314 H SER 44 H SER 44 22.085 3.993 -15.602
315 HA SER 44 HA SER 44 20.546 4.793 -17.638
316 HB2 SER 44 1HB SER 44 22.226 2.911 -17.681
317 HB3 SER 44 2HB SER 44 20.955 1.850 -17.073
318 HG SER 44 HG SER 44 20.098 1.796 -18.993
319 H SER 45 H SER 45 19.485 2.533 -15.125
320 HA SER 45 HA SER 45 17.050 1.733 -16.037
321 HB2 SER 45 1HB SER 45 17.941 0.993 -13.891
322 HB3 SER 45 2HB SER 45 17.720 2.607 -13.216
323 HG SER 45 HG SER 45 16.020 0.761 -13.002
324 H GLY 46 H GLY 46 15.494 2.873 -16.980
325 HA2 GLY 46 1HA GLY 46 15.105 5.673 -16.385
326 HA3 GLY 46 2HA GLY 46 14.218 4.722 -17.567
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 11.444 -20.664 9.439
2 HA2 GLY 1 1HA GLY 1 9.393 -21.460 10.130
3 HA3 GLY 1 2HA GLY 1 9.463 -20.084 11.221
4 H SER 2 H SER 2 7.049 -20.433 10.878
5 HA SER 2 HA SER 2 6.131 -18.398 9.059
6 HB2 SER 2 1HB SER 2 5.364 -21.292 8.647
7 HB3 SER 2 2HB SER 2 4.427 -19.948 7.996
8 HG SER 2 HG SER 2 6.477 -21.082 6.879
9 H SER 3 H SER 3 3.875 -17.853 9.389
10 HA SER 3 HA SER 3 2.302 -19.081 11.402
11 HB2 SER 3 1HB SER 3 3.898 -18.130 12.950
12 HB3 SER 3 2HB SER 3 3.778 -16.553 12.171
13 HG SER 3 HG SER 3 2.483 -16.539 13.988
14 H GLY 4 H GLY 4 0.237 -18.563 11.035
15 HA2 GLY 4 1HA GLY 4 -1.407 -16.741 10.768
16 HA3 GLY 4 2HA GLY 4 -0.308 -16.045 9.587
17 H SER 5 H SER 5 -3.155 -17.506 9.796
18 HA SER 5 HA SER 5 -2.852 -19.370 7.585
19 HB2 SER 5 1HB SER 5 -5.100 -18.636 9.435
20 HB3 SER 5 2HB SER 5 -5.436 -19.504 7.937
21 HG SER 5 HG SER 5 -3.359 -20.502 9.470
22 H SER 6 H SER 6 -2.186 -16.767 6.880
23 HA SER 6 HA SER 6 -3.908 -14.984 5.899
24 HB2 SER 6 1HB SER 6 -1.388 -15.125 5.483
25 HB3 SER 6 2HB SER 6 -1.784 -16.104 4.070
26 HG SER 6 HG SER 6 -1.966 -13.411 4.422
27 H GLY 7 H GLY 7 -5.893 -15.381 5.133
28 HA2 GLY 7 1HA GLY 7 -6.623 -17.646 3.614
29 HA3 GLY 7 2HA GLY 7 -7.583 -16.187 3.804
30 H SER 8 H SER 8 -8.270 -16.037 1.700
31 HA SER 8 HA SER 8 -6.211 -15.224 -0.223
32 HB2 SER 8 1HB SER 8 -7.455 -16.488 -2.012
33 HB3 SER 8 2HB SER 8 -6.642 -17.511 -0.828
34 HG SER 8 HG SER 8 -8.507 -18.269 -0.235
35 H GLY 9 H GLY 9 -6.949 -13.818 -1.881
36 HA2 GLY 9 1HA GLY 9 -9.464 -12.983 -2.493
37 HA3 GLY 9 2HA GLY 9 -9.096 -12.102 -1.017
38 H GLU 10 H GLU 10 -8.201 -12.585 -4.374
39 HA GLU 10 HA GLU 10 -6.201 -10.525 -4.369
40 HB2 GLU 10 1HB GLU 10 -6.120 -12.437 -5.933
41 HB3 GLU 10 2HB GLU 10 -7.594 -11.858 -6.697
42 HG2 GLU 10 1HG GLU 10 -5.418 -11.320 -7.862
43 HG3 GLU 10 2HG GLU 10 -6.527 -9.976 -7.592
44 H LYS 11 H LYS 11 -6.380 -8.425 -4.960
45 HA LYS 11 HA LYS 11 -9.077 -7.348 -5.166
46 HB2 LYS 11 1HB LYS 11 -6.373 -6.081 -4.746
47 HB3 LYS 11 2HB LYS 11 -7.827 -5.130 -5.018
48 HG2 LYS 11 1HG LYS 11 -8.749 -6.585 -3.030
49 HG3 LYS 11 2HG LYS 11 -7.032 -6.754 -2.660
50 HD2 LYS 11 1HD LYS 11 -6.893 -4.226 -2.826
51 HD3 LYS 11 2HD LYS 11 -8.658 -4.227 -2.837
52 HE2 LYS 11 1HE LYS 11 -8.776 -5.119 -0.667
53 HE3 LYS 11 2HE LYS 11 -7.086 -5.619 -0.690
54 HZ1 LYS 11 3HZ LYS 11 -8.080 -2.821 -0.607
55 HZ2 LYS 11 1HZ LYS 11 -6.451 -3.272 -0.692
56 HZ3 LYS 11 2HZ LYS 11 -7.367 -3.666 0.674
57 HA PRO 12 HA PRO 12 -9.010 -6.531 -9.479
58 HB2 PRO 12 1HB PRO 12 -10.364 -4.181 -9.605
59 HB3 PRO 12 2HB PRO 12 -11.149 -5.723 -9.244
60 HG2 PRO 12 1HG PRO 12 -10.267 -3.562 -7.370
61 HG3 PRO 12 2HG PRO 12 -11.770 -4.503 -7.365
62 HD2 PRO 12 1HD PRO 12 -9.697 -5.060 -5.715
63 HD3 PRO 12 2HD PRO 12 -10.779 -6.318 -6.348
64 H TYR 13 H TYR 13 -8.347 -3.574 -7.590
65 HA TYR 13 HA TYR 13 -6.570 -2.620 -9.694
66 HB2 TYR 13 1HB TYR 13 -7.179 -1.222 -7.093
67 HB3 TYR 13 2HB TYR 13 -6.610 -0.514 -8.601
68 HD1 TYR 13 HD1 TYR 13 -8.163 -0.287 -10.523
69 HD2 TYR 13 HD2 TYR 13 -9.503 -1.601 -6.704
70 HE1 TYR 13 HE1 TYR 13 -10.484 0.200 -11.176
71 HE2 TYR 13 HE2 TYR 13 -11.827 -1.118 -7.347
72 HH TYR 13 HH TYR 13 -13.169 -0.861 -9.347
73 H LYS 14 H LYS 14 -4.390 -2.419 -9.512
74 HA LYS 14 HA LYS 14 -3.092 -2.994 -6.967
75 HB2 LYS 14 1HB LYS 14 -2.432 -4.556 -9.470
76 HB3 LYS 14 2HB LYS 14 -1.659 -4.722 -7.899
77 HG2 LYS 14 1HG LYS 14 -3.090 -6.492 -7.835
78 HG3 LYS 14 2HG LYS 14 -4.110 -5.246 -7.111
79 HD2 LYS 14 1HD LYS 14 -5.573 -6.067 -8.658
80 HD3 LYS 14 2HD LYS 14 -4.774 -4.842 -9.647
81 HE2 LYS 14 1HE LYS 14 -4.677 -6.670 -11.038
82 HE3 LYS 14 2HE LYS 14 -3.128 -6.794 -10.207
83 HZ1 LYS 14 3HZ LYS 14 -3.923 -8.508 -8.848
84 HZ2 LYS 14 1HZ LYS 14 -4.496 -8.894 -10.392
85 HZ3 LYS 14 2HZ LYS 14 -5.540 -8.214 -9.249
86 H CYS 15 H CYS 15 -1.157 -1.977 -6.719
87 HA CYS 15 HA CYS 15 -0.532 0.204 -8.356
88 HB2 CYS 15 1HB CYS 15 0.113 -0.133 -5.929
89 HB3 CYS 15 2HB CYS 15 1.404 -1.184 -6.501
90 H VAL 16 H VAL 16 1.370 0.598 -9.639
91 HA VAL 16 HA VAL 16 2.190 -1.794 -11.134
92 HB VAL 16 HB VAL 16 1.104 0.046 -12.408
93 HG11 VAL 16 1HG1 VAL 16 2.539 2.063 -12.872
94 HG12 VAL 16 2HG1 VAL 16 1.839 1.986 -11.254
95 HG13 VAL 16 3HG1 VAL 16 3.536 1.572 -11.503
96 HG21 VAL 16 3HG2 VAL 16 3.983 -0.526 -13.106
97 HG22 VAL 16 1HG2 VAL 16 2.583 -1.507 -13.541
98 HG23 VAL 16 2HG2 VAL 16 2.773 0.110 -14.219
99 H GLU 17 H GLU 17 3.327 0.477 -8.897
100 HA GLU 17 HA GLU 17 6.102 0.345 -9.718
101 HB2 GLU 17 1HB GLU 17 4.730 1.604 -7.342
102 HB3 GLU 17 2HB GLU 17 6.471 1.639 -7.580
103 HG2 GLU 17 1HG GLU 17 4.417 2.803 -9.447
104 HG3 GLU 17 2HG GLU 17 5.415 3.708 -8.311
105 H CYS 18 H CYS 18 4.114 -0.834 -7.024
106 HA CYS 18 HA CYS 18 6.301 -2.676 -6.313
107 HB2 CYS 18 1HB CYS 18 5.147 -2.817 -4.080
108 HB3 CYS 18 2HB CYS 18 5.827 -1.239 -4.460
109 H GLY 19 H GLY 19 2.823 -2.394 -6.849
110 HA2 GLY 19 1HA GLY 19 1.686 -4.157 -8.054
111 HA3 GLY 19 2HA GLY 19 2.751 -5.312 -7.267
112 H LYS 20 H LYS 20 1.640 -2.856 -5.203
113 HA LYS 20 HA LYS 20 0.388 -4.560 -3.411
114 HB2 LYS 20 1HB LYS 20 1.087 -1.949 -3.366
115 HB3 LYS 20 2HB LYS 20 -0.657 -1.794 -3.526
116 HG2 LYS 20 1HG LYS 20 -0.526 -1.839 -1.270
117 HG3 LYS 20 2HG LYS 20 -0.602 -3.579 -1.558
118 HD2 LYS 20 1HD LYS 20 2.065 -2.252 -1.541
119 HD3 LYS 20 2HD LYS 20 1.248 -2.525 0.000
120 HE2 LYS 20 1HE LYS 20 0.933 -4.939 -0.851
121 HE3 LYS 20 2HE LYS 20 2.186 -4.531 -2.022
122 HZ1 LYS 20 3HZ LYS 20 2.973 -5.597 0.089
123 HZ2 LYS 20 1HZ LYS 20 2.541 -4.175 0.898
124 HZ3 LYS 20 2HZ LYS 20 3.731 -4.136 -0.303
125 H GLY 21 H GLY 21 -2.059 -3.793 -2.710
126 HA2 GLY 21 1HA GLY 21 -3.767 -3.937 -5.093
127 HA3 GLY 21 2HA GLY 21 -3.915 -5.200 -3.880
128 H TYR 22 H TYR 22 -5.697 -2.929 -4.905
129 HA TYR 22 HA TYR 22 -6.596 -2.101 -2.243
130 HB2 TYR 22 1HB TYR 22 -6.087 -0.263 -4.582
131 HB3 TYR 22 2HB TYR 22 -7.110 0.186 -3.222
132 HD1 TYR 22 HD2 TYR 22 -3.663 -0.969 -4.033
133 HD2 TYR 22 HD1 TYR 22 -6.165 1.155 -1.326
134 HE1 TYR 22 HE2 TYR 22 -1.675 -0.220 -2.793
135 HE2 TYR 22 HE1 TYR 22 -4.185 1.911 -0.079
136 HH TYR 22 HH TYR 22 -0.914 0.910 -1.043
137 H LYS 23 H LYS 23 -8.823 -1.654 -2.086
138 HA LYS 23 HA LYS 23 -10.414 -3.006 -4.114
139 HB2 LYS 23 1HB LYS 23 -10.696 -3.487 -1.671
140 HB3 LYS 23 2HB LYS 23 -11.306 -1.850 -1.467
141 HG2 LYS 23 1HG LYS 23 -13.218 -2.303 -2.794
142 HG3 LYS 23 2HG LYS 23 -12.557 -3.848 -3.333
143 HD2 LYS 23 1HD LYS 23 -14.070 -4.487 -1.695
144 HD3 LYS 23 2HD LYS 23 -12.544 -4.442 -0.810
145 HE2 LYS 23 1HE LYS 23 -13.100 -2.493 0.305
146 HE3 LYS 23 2HE LYS 23 -14.276 -2.009 -0.916
147 HZ1 LYS 23 3HZ LYS 23 -14.574 -4.093 1.167
148 HZ2 LYS 23 1HZ LYS 23 -15.626 -3.968 -0.152
149 HZ3 LYS 23 2HZ LYS 23 -15.501 -2.694 0.953
150 H ARG 24 H ARG 24 -9.635 0.178 -3.114
151 HA ARG 24 HA ARG 24 -11.783 1.246 -4.827
152 HB2 ARG 24 1HB ARG 24 -12.263 1.953 -2.607
153 HB3 ARG 24 2HB ARG 24 -10.583 2.374 -2.303
154 HG2 ARG 24 1HG ARG 24 -11.729 4.408 -2.589
155 HG3 ARG 24 2HG ARG 24 -10.832 4.142 -4.086
156 HD2 ARG 24 1HD ARG 24 -13.101 4.924 -4.538
157 HD3 ARG 24 2HD ARG 24 -12.851 3.291 -5.155
158 HE ARG 24 HE ARG 24 -13.915 2.886 -2.694
159 HH11 ARG 24 1HH1 ARG 24 -14.877 4.768 -5.460
160 HH12 ARG 24 2HH1 ARG 24 -16.572 4.620 -5.135
161 HH21 ARG 24 1HH2 ARG 24 -16.144 2.684 -2.255
162 HH22 ARG 24 2HH2 ARG 24 -17.292 3.435 -3.311
163 H ARG 25 H ARG 25 -10.771 1.584 -6.726
164 HA ARG 25 HA ARG 25 -8.218 2.032 -7.385
165 HB2 ARG 25 1HB ARG 25 -10.080 1.989 -9.006
166 HB3 ARG 25 2HB ARG 25 -10.530 3.617 -8.519
167 HG2 ARG 25 1HG ARG 25 -8.580 4.548 -9.452
168 HG3 ARG 25 2HG ARG 25 -7.817 2.966 -9.625
169 HD2 ARG 25 1HD ARG 25 -8.516 3.497 -11.788
170 HD3 ARG 25 2HD ARG 25 -9.767 2.410 -11.189
171 HE ARG 25 HE ARG 25 -11.272 4.151 -11.235
172 HH11 ARG 25 1HH1 ARG 25 -8.045 5.363 -11.716
173 HH12 ARG 25 2HH1 ARG 25 -8.569 6.950 -12.172
174 HH21 ARG 25 1HH2 ARG 25 -11.975 6.237 -11.834
175 HH22 ARG 25 2HH2 ARG 25 -10.804 7.447 -12.238
176 H LEU 26 H LEU 26 -10.386 4.475 -6.040
177 HA LEU 26 HA LEU 26 -8.727 6.706 -6.306
178 HB2 LEU 26 1HB LEU 26 -11.168 6.595 -5.591
179 HB3 LEU 26 2HB LEU 26 -10.563 6.237 -3.974
180 HG LEU 26 HG LEU 26 -11.222 8.636 -4.434
181 HD11 LEU 26 1HD1 LEU 26 -9.830 9.276 -2.794
182 HD12 LEU 26 2HD1 LEU 26 -8.390 8.760 -3.672
183 HD13 LEU 26 3HD1 LEU 26 -9.352 7.578 -2.786
184 HD21 LEU 26 3HD2 LEU 26 -9.791 8.373 -6.707
185 HD22 LEU 26 1HD2 LEU 26 -8.591 9.129 -5.658
186 HD23 LEU 26 2HD2 LEU 26 -10.143 9.921 -5.936
187 H ASP 27 H ASP 27 -8.995 4.359 -3.660
188 HA ASP 27 HA ASP 27 -7.212 5.534 -1.875
189 HB2 ASP 27 1HB ASP 27 -8.751 3.427 -1.645
190 HB3 ASP 27 2HB ASP 27 -7.318 2.554 -2.180
191 H LEU 28 H LEU 28 -6.540 3.000 -4.292
192 HA LEU 28 HA LEU 28 -3.771 2.890 -3.866
193 HB2 LEU 28 1HB LEU 28 -4.708 1.102 -5.038
194 HB3 LEU 28 2HB LEU 28 -5.541 2.164 -6.172
195 HG LEU 28 HG LEU 28 -3.023 2.766 -6.824
196 HD11 LEU 28 1HD1 LEU 28 -2.783 0.452 -5.142
197 HD12 LEU 28 2HD1 LEU 28 -1.522 1.420 -5.904
198 HD13 LEU 28 3HD1 LEU 28 -2.253 0.077 -6.782
199 HD21 LEU 28 3HD2 LEU 28 -3.313 0.629 -8.404
200 HD22 LEU 28 1HD2 LEU 28 -4.250 2.109 -8.610
201 HD23 LEU 28 2HD2 LEU 28 -4.953 0.731 -7.763
202 H ASP 29 H ASP 29 -5.679 4.750 -6.212
203 HA ASP 29 HA ASP 29 -3.673 5.913 -7.688
204 HB2 ASP 29 1HB ASP 29 -6.172 6.170 -8.007
205 HB3 ASP 29 2HB ASP 29 -6.125 7.407 -6.754
206 H PHE 30 H PHE 30 -4.672 6.640 -4.424
207 HA PHE 30 HA PHE 30 -3.074 9.051 -4.284
208 HB2 PHE 30 1HB PHE 30 -5.311 8.420 -3.004
209 HB3 PHE 30 2HB PHE 30 -4.179 7.739 -1.841
210 HD1 PHE 30 HD2 PHE 30 -5.207 10.842 -3.550
211 HD2 PHE 30 HD1 PHE 30 -2.928 9.121 -0.393
212 HE1 PHE 30 HE2 PHE 30 -4.866 13.078 -2.582
213 HE2 PHE 30 HE1 PHE 30 -2.584 11.354 0.580
214 HZ PHE 30 HZ PHE 30 -3.552 13.337 -0.515
215 H HIS 31 H HIS 31 -2.677 5.693 -3.721
216 HA HIS 31 HA HIS 31 -0.582 5.838 -1.798
217 HB2 HIS 31 1HB HIS 31 -1.505 3.736 -1.791
218 HB3 HIS 31 2HB HIS 31 -1.754 3.722 -3.534
219 HD1 HIS 31 HD1 HIS 31 0.994 3.253 -0.979
220 HD2 HIS 31 HD2 HIS 31 0.188 2.432 -4.972
221 HE1 HIS 31 HE1 HIS 31 2.880 1.782 -1.757
222 H GLN 32 H GLN 32 -0.621 5.381 -5.323
223 HA GLN 32 HA GLN 32 2.024 5.025 -5.865
224 HB2 GLN 32 1HB GLN 32 0.008 6.696 -7.367
225 HB3 GLN 32 2HB GLN 32 1.599 6.299 -8.002
226 HG2 GLN 32 1HG GLN 32 1.089 4.057 -8.245
227 HG3 GLN 32 2HG GLN 32 -0.239 4.131 -7.088
228 HE21 GLN 32 1HE2 GLN 32 -1.763 3.267 -8.436
229 HE22 GLN 32 2HE2 GLN 32 -2.363 4.083 -9.836
230 H ARG 33 H ARG 33 0.500 7.895 -4.667
231 HA ARG 33 HA ARG 33 2.169 9.930 -5.384
232 HB2 ARG 33 1HB ARG 33 1.050 9.449 -2.616
233 HB3 ARG 33 2HB ARG 33 1.636 10.989 -3.230
234 HG2 ARG 33 1HG ARG 33 -0.505 9.608 -4.752
235 HG3 ARG 33 2HG ARG 33 -0.928 10.372 -3.219
236 HD2 ARG 33 1HD ARG 33 -1.279 12.093 -4.714
237 HD3 ARG 33 2HD ARG 33 0.373 12.407 -4.186
238 HE ARG 33 HE ARG 33 0.761 10.890 -6.362
239 HH11 ARG 33 1HH1 ARG 33 -1.233 13.688 -5.801
240 HH12 ARG 33 2HH1 ARG 33 -1.125 14.255 -7.435
241 HH21 ARG 33 1HH2 ARG 33 0.911 11.626 -8.516
242 HH22 ARG 33 2HH2 ARG 33 0.094 13.080 -8.979
243 H VAL 34 H VAL 34 2.760 7.452 -2.941
244 HA VAL 34 HA VAL 34 5.115 8.528 -1.852
245 HB VAL 34 HB VAL 34 5.555 6.360 -0.935
246 HG11 VAL 34 1HG1 VAL 34 3.886 6.965 0.427
247 HG12 VAL 34 2HG1 VAL 34 2.856 7.476 -0.912
248 HG13 VAL 34 3HG1 VAL 34 2.923 5.776 -0.448
249 HG21 VAL 34 3HG2 VAL 34 4.287 4.363 -1.646
250 HG22 VAL 34 1HG2 VAL 34 3.573 5.310 -2.952
251 HG23 VAL 34 2HG2 VAL 34 5.311 5.010 -2.928
252 H HIS 35 H HIS 35 4.585 6.336 -4.579
253 HA HIS 35 HA HIS 35 7.315 5.828 -5.111
254 HB2 HIS 35 1HB HIS 35 4.850 5.643 -6.843
255 HB3 HIS 35 2HB HIS 35 6.449 5.155 -7.397
256 HD1 HIS 35 HD1 HIS 35 7.592 3.204 -5.866
257 HD2 HIS 35 HD2 HIS 35 3.477 3.689 -5.554
258 HE1 HIS 35 HE1 HIS 35 6.739 1.071 -4.841
259 H THR 36 H THR 36 5.058 8.282 -6.255
260 HA THR 36 HA THR 36 6.853 9.397 -8.180
261 HB THR 36 HB THR 36 5.246 11.316 -8.213
262 HG1 THR 36 HG1 THR 36 3.283 10.967 -6.989
263 HG21 THR 36 3HG2 THR 36 3.859 10.187 -9.598
264 HG22 THR 36 1HG2 THR 36 3.485 8.956 -8.392
265 HG23 THR 36 2HG2 THR 36 4.986 8.862 -9.313
266 H GLY 37 H GLY 37 8.789 9.805 -7.065
267 HA2 GLY 37 1HA GLY 37 8.669 11.825 -4.931
268 HA3 GLY 37 2HA GLY 37 10.039 10.778 -5.272
269 H GLU 38 H GLU 38 9.514 11.442 -8.235
270 HA GLU 38 HA GLU 38 10.581 12.775 -9.751
271 HB2 GLU 38 1HB GLU 38 9.430 14.903 -7.937
272 HB3 GLU 38 2HB GLU 38 10.032 15.183 -9.564
273 HG2 GLU 38 1HG GLU 38 8.318 13.570 -10.393
274 HG3 GLU 38 2HG GLU 38 7.654 13.529 -8.761
275 H LYS 39 H LYS 39 12.424 11.777 -8.091
276 HA LYS 39 HA LYS 39 14.253 14.045 -7.681
277 HB2 LYS 39 1HB LYS 39 15.175 12.942 -5.703
278 HB3 LYS 39 2HB LYS 39 13.460 13.270 -5.495
279 HG2 LYS 39 1HG LYS 39 12.892 10.996 -5.815
280 HG3 LYS 39 2HG LYS 39 14.514 10.601 -6.386
281 HD2 LYS 39 1HD LYS 39 15.269 11.431 -4.048
282 HD3 LYS 39 2HD LYS 39 13.578 11.194 -3.603
283 HE2 LYS 39 1HE LYS 39 15.360 9.088 -4.823
284 HE3 LYS 39 2HE LYS 39 15.002 9.234 -3.103
285 HZ1 LYS 39 3HZ LYS 39 13.571 7.799 -4.929
286 HZ2 LYS 39 1HZ LYS 39 12.633 9.189 -4.700
287 HZ3 LYS 39 2HZ LYS 39 13.056 8.225 -3.376
288 H LEU 40 H LEU 40 14.103 12.526 -10.018
289 HA LEU 40 HA LEU 40 16.243 10.560 -9.901
290 HB2 LEU 40 1HB LEU 40 14.342 11.471 -12.031
291 HB3 LEU 40 2HB LEU 40 15.748 10.486 -12.429
292 HG LEU 40 HG LEU 40 13.833 9.539 -10.341
293 HD11 LEU 40 1HD1 LEU 40 12.397 8.549 -11.943
294 HD12 LEU 40 2HD1 LEU 40 13.436 9.040 -13.281
295 HD13 LEU 40 3HD1 LEU 40 12.535 10.254 -12.374
296 HD21 LEU 40 3HD2 LEU 40 14.569 7.395 -11.770
297 HD22 LEU 40 1HD2 LEU 40 15.504 8.017 -10.410
298 HD23 LEU 40 2HD2 LEU 40 15.966 8.433 -12.061
299 H SER 41 H SER 41 15.656 13.815 -11.048
300 HA SER 41 HA SER 41 17.061 15.459 -11.755
301 HB2 SER 41 1HB SER 41 19.320 13.643 -10.887
302 HB3 SER 41 2HB SER 41 19.381 15.393 -11.097
303 HG SER 41 HG SER 41 17.456 14.433 -9.347
304 H GLY 42 H GLY 42 16.108 13.651 -13.648
305 HA2 GLY 42 1HA GLY 42 17.321 14.227 -15.955
306 HA3 GLY 42 2HA GLY 42 18.336 12.918 -15.369
307 HA PRO 43 HA PRO 43 13.986 10.930 -16.024
308 HB2 PRO 43 1HB PRO 43 12.054 12.504 -17.101
309 HB3 PRO 43 2HB PRO 43 12.320 12.366 -15.359
310 HG2 PRO 43 1HG PRO 43 13.226 14.503 -17.250
311 HG3 PRO 43 2HG PRO 43 12.542 14.665 -15.622
312 HD2 PRO 43 1HD PRO 43 15.200 14.844 -16.110
313 HD3 PRO 43 2HD PRO 43 14.549 14.188 -14.594
314 H SER 44 H SER 44 14.387 13.552 -18.416
315 HA SER 44 HA SER 44 15.369 11.872 -20.450
316 HB2 SER 44 1HB SER 44 13.005 11.039 -20.367
317 HB3 SER 44 2HB SER 44 12.470 12.655 -20.829
318 HG SER 44 HG SER 44 12.910 10.898 -22.516
319 H SER 45 H SER 45 16.742 13.352 -21.207
320 HA SER 45 HA SER 45 17.534 15.206 -22.263
321 HB2 SER 45 1HB SER 45 15.501 14.746 -23.736
322 HB3 SER 45 2HB SER 45 14.673 15.999 -22.812
323 HG SER 45 HG SER 45 17.142 16.395 -24.150
324 H GLY 46 H GLY 46 17.269 15.327 -19.516
325 HA2 GLY 46 1HA GLY 46 17.709 17.929 -18.867
326 HA3 GLY 46 2HA GLY 46 15.963 17.775 -18.739
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 12.209 -11.337 -1.484
2 HA2 GLY 1 1HA GLY 1 9.288 -10.975 -1.555
3 HA3 GLY 1 2HA GLY 1 10.160 -12.341 -2.234
4 H SER 2 H SER 2 7.925 -12.057 -0.208
5 HA SER 2 HA SER 2 8.966 -14.050 1.628
6 HB2 SER 2 1HB SER 2 9.427 -11.931 2.793
7 HB3 SER 2 2HB SER 2 7.729 -11.477 2.640
8 HG SER 2 HG SER 2 8.934 -13.347 4.315
9 H SER 3 H SER 3 7.218 -15.011 2.966
10 HA SER 3 HA SER 3 4.613 -14.833 1.599
11 HB2 SER 3 1HB SER 3 4.345 -17.273 2.145
12 HB3 SER 3 2HB SER 3 5.625 -16.929 0.982
13 HG SER 3 HG SER 3 6.388 -16.946 3.642
14 H GLY 4 H GLY 4 2.987 -14.237 2.865
15 HA2 GLY 4 1HA GLY 4 1.979 -15.123 5.120
16 HA3 GLY 4 2HA GLY 4 3.378 -14.279 5.768
17 H SER 5 H SER 5 0.187 -13.985 4.557
18 HA SER 5 HA SER 5 -0.122 -11.369 5.586
19 HB2 SER 5 1HB SER 5 0.471 -11.649 2.680
20 HB3 SER 5 2HB SER 5 -0.780 -10.498 3.148
21 HG SER 5 HG SER 5 0.781 -9.206 3.658
22 H SER 6 H SER 6 -2.066 -11.678 6.446
23 HA SER 6 HA SER 6 -4.011 -13.445 5.362
24 HB2 SER 6 1HB SER 6 -4.013 -11.445 7.608
25 HB3 SER 6 2HB SER 6 -5.506 -12.247 7.118
26 HG SER 6 HG SER 6 -3.363 -13.231 8.509
27 H GLY 7 H GLY 7 -4.340 -12.703 3.222
28 HA2 GLY 7 1HA GLY 7 -6.191 -10.418 3.090
29 HA3 GLY 7 2HA GLY 7 -4.834 -10.495 1.977
30 H SER 8 H SER 8 -6.995 -13.067 3.125
31 HA SER 8 HA SER 8 -7.217 -14.371 0.689
32 HB2 SER 8 1HB SER 8 -7.921 -15.257 2.942
33 HB3 SER 8 2HB SER 8 -9.385 -14.284 2.797
34 HG SER 8 HG SER 8 -9.146 -16.672 1.951
35 H GLY 9 H GLY 9 -7.784 -13.359 -1.142
36 HA2 GLY 9 1HA GLY 9 -9.962 -12.900 -2.339
37 HA3 GLY 9 2HA GLY 9 -10.221 -11.690 -1.090
38 H GLU 10 H GLU 10 -8.396 -12.533 -3.947
39 HA GLU 10 HA GLU 10 -6.538 -10.551 -4.151
40 HB2 GLU 10 1HB GLU 10 -8.339 -11.642 -6.316
41 HB3 GLU 10 2HB GLU 10 -6.939 -10.626 -6.631
42 HG2 GLU 10 1HG GLU 10 -7.026 -13.418 -5.558
43 HG3 GLU 10 2HG GLU 10 -6.180 -12.800 -6.975
44 H LYS 11 H LYS 11 -6.507 -8.484 -5.226
45 HA LYS 11 HA LYS 11 -8.991 -6.982 -4.766
46 HB2 LYS 11 1HB LYS 11 -6.103 -6.108 -4.859
47 HB3 LYS 11 2HB LYS 11 -7.449 -4.977 -4.801
48 HG2 LYS 11 1HG LYS 11 -7.144 -7.117 -2.730
49 HG3 LYS 11 2HG LYS 11 -6.262 -5.593 -2.612
50 HD2 LYS 11 1HD LYS 11 -8.570 -4.491 -2.960
51 HD3 LYS 11 2HD LYS 11 -9.221 -6.074 -2.531
52 HE2 LYS 11 1HE LYS 11 -7.148 -4.849 -0.777
53 HE3 LYS 11 2HE LYS 11 -8.795 -4.225 -0.703
54 HZ1 LYS 11 3HZ LYS 11 -7.801 -6.909 -0.011
55 HZ2 LYS 11 1HZ LYS 11 -9.417 -6.701 -0.466
56 HZ3 LYS 11 2HZ LYS 11 -8.805 -5.880 0.880
57 HA PRO 12 HA PRO 12 -9.534 -6.153 -9.044
58 HB2 PRO 12 1HB PRO 12 -10.665 -3.687 -8.945
59 HB3 PRO 12 2HB PRO 12 -11.523 -5.158 -8.470
60 HG2 PRO 12 1HG PRO 12 -10.160 -3.121 -6.751
61 HG3 PRO 12 2HG PRO 12 -11.725 -3.921 -6.512
62 HD2 PRO 12 1HD PRO 12 -9.479 -4.697 -5.214
63 HD3 PRO 12 2HD PRO 12 -10.759 -5.838 -5.672
64 H TYR 13 H TYR 13 -8.299 -3.314 -7.268
65 HA TYR 13 HA TYR 13 -6.696 -2.596 -9.617
66 HB2 TYR 13 1HB TYR 13 -7.127 -0.951 -7.121
67 HB3 TYR 13 2HB TYR 13 -6.500 -0.403 -8.671
68 HD1 TYR 13 HD1 TYR 13 -8.022 -0.175 -10.611
69 HD2 TYR 13 HD2 TYR 13 -9.478 -1.134 -6.729
70 HE1 TYR 13 HE1 TYR 13 -10.295 0.445 -11.316
71 HE2 TYR 13 HE2 TYR 13 -11.755 -0.518 -7.424
72 HH TYR 13 HH TYR 13 -12.397 0.805 -10.647
73 H LYS 14 H LYS 14 -4.495 -2.465 -9.565
74 HA LYS 14 HA LYS 14 -3.108 -3.017 -7.049
75 HB2 LYS 14 1HB LYS 14 -2.635 -4.576 -9.597
76 HB3 LYS 14 2HB LYS 14 -1.700 -4.727 -8.114
77 HG2 LYS 14 1HG LYS 14 -3.100 -6.487 -7.839
78 HG3 LYS 14 2HG LYS 14 -4.092 -5.230 -7.095
79 HD2 LYS 14 1HD LYS 14 -5.577 -5.184 -8.831
80 HD3 LYS 14 2HD LYS 14 -4.364 -5.660 -10.023
81 HE2 LYS 14 1HE LYS 14 -5.297 -7.570 -7.908
82 HE3 LYS 14 2HE LYS 14 -6.213 -7.345 -9.397
83 HZ1 LYS 14 3HZ LYS 14 -3.940 -8.924 -8.984
84 HZ2 LYS 14 1HZ LYS 14 -3.521 -7.696 -10.070
85 HZ3 LYS 14 2HZ LYS 14 -4.826 -8.718 -10.410
86 H CYS 15 H CYS 15 -1.208 -1.959 -6.835
87 HA CYS 15 HA CYS 15 -0.593 0.177 -8.547
88 HB2 CYS 15 1HB CYS 15 0.020 -0.028 -6.107
89 HB3 CYS 15 2HB CYS 15 1.308 -1.126 -6.593
90 H VAL 16 H VAL 16 1.380 0.534 -9.769
91 HA VAL 16 HA VAL 16 2.193 -1.897 -11.202
92 HB VAL 16 HB VAL 16 1.183 -0.011 -12.507
93 HG11 VAL 16 1HG1 VAL 16 2.938 1.838 -13.010
94 HG12 VAL 16 2HG1 VAL 16 1.939 1.960 -11.560
95 HG13 VAL 16 3HG1 VAL 16 3.603 1.385 -11.441
96 HG21 VAL 16 3HG2 VAL 16 3.730 -1.361 -13.036
97 HG22 VAL 16 1HG2 VAL 16 2.275 -1.249 -14.026
98 HG23 VAL 16 2HG2 VAL 16 3.445 0.071 -14.026
99 H GLU 17 H GLU 17 3.335 0.502 -9.052
100 HA GLU 17 HA GLU 17 6.120 0.243 -9.759
101 HB2 GLU 17 1HB GLU 17 4.862 1.507 -7.318
102 HB3 GLU 17 2HB GLU 17 6.534 1.687 -7.832
103 HG2 GLU 17 1HG GLU 17 5.691 3.611 -8.671
104 HG3 GLU 17 2HG GLU 17 5.380 2.553 -10.046
105 H CYS 18 H CYS 18 4.104 -0.708 -6.982
106 HA CYS 18 HA CYS 18 6.216 -2.583 -6.168
107 HB2 CYS 18 1HB CYS 18 4.967 -2.668 -3.996
108 HB3 CYS 18 2HB CYS 18 5.612 -1.078 -4.395
109 H GLY 19 H GLY 19 2.748 -2.346 -6.829
110 HA2 GLY 19 1HA GLY 19 1.651 -4.121 -8.042
111 HA3 GLY 19 2HA GLY 19 2.734 -5.262 -7.259
112 H LYS 20 H LYS 20 1.522 -2.829 -5.208
113 HA LYS 20 HA LYS 20 0.305 -4.584 -3.430
114 HB2 LYS 20 1HB LYS 20 0.105 -1.623 -3.860
115 HB3 LYS 20 2HB LYS 20 -0.927 -2.409 -2.672
116 HG2 LYS 20 1HG LYS 20 2.072 -2.642 -2.686
117 HG3 LYS 20 2HG LYS 20 1.182 -1.430 -1.762
118 HD2 LYS 20 1HD LYS 20 0.368 -2.963 -0.276
119 HD3 LYS 20 2HD LYS 20 0.379 -4.275 -1.457
120 HE2 LYS 20 1HE LYS 20 2.133 -4.935 -0.161
121 HE3 LYS 20 2HE LYS 20 2.997 -3.898 -1.294
122 HZ1 LYS 20 3HZ LYS 20 2.217 -2.169 0.629
123 HZ2 LYS 20 1HZ LYS 20 3.746 -2.888 0.531
124 HZ3 LYS 20 2HZ LYS 20 2.557 -3.561 1.528
125 H GLY 21 H GLY 21 -2.163 -3.892 -2.744
126 HA2 GLY 21 1HA GLY 21 -3.856 -4.007 -5.135
127 HA3 GLY 21 2HA GLY 21 -3.965 -5.329 -3.982
128 H TYR 22 H TYR 22 -5.356 -2.500 -4.902
129 HA TYR 22 HA TYR 22 -6.427 -1.997 -2.203
130 HB2 TYR 22 1HB TYR 22 -5.973 -0.100 -4.505
131 HB3 TYR 22 2HB TYR 22 -6.984 0.306 -3.123
132 HD1 TYR 22 HD2 TYR 22 -3.533 -0.759 -4.024
133 HD2 TYR 22 HD1 TYR 22 -6.027 1.212 -1.196
134 HE1 TYR 22 HE2 TYR 22 -1.539 -0.015 -2.792
135 HE2 TYR 22 HE1 TYR 22 -4.039 1.963 0.043
136 HH TYR 22 HH TYR 22 -0.960 1.895 -1.209
137 H LYS 23 H LYS 23 -8.561 -2.194 -1.898
138 HA LYS 23 HA LYS 23 -10.217 -3.516 -3.669
139 HB2 LYS 23 1HB LYS 23 -10.525 -3.066 -1.154
140 HB3 LYS 23 2HB LYS 23 -11.279 -1.556 -1.646
141 HG2 LYS 23 1HG LYS 23 -12.932 -2.823 -2.947
142 HG3 LYS 23 2HG LYS 23 -12.189 -4.327 -2.397
143 HD2 LYS 23 1HD LYS 23 -13.854 -4.141 -0.846
144 HD3 LYS 23 2HD LYS 23 -12.590 -3.227 -0.021
145 HE2 LYS 23 1HE LYS 23 -13.597 -1.204 -0.433
146 HE3 LYS 23 2HE LYS 23 -14.423 -1.788 -1.877
147 HZ1 LYS 23 3HZ LYS 23 -15.442 -1.568 0.707
148 HZ2 LYS 23 1HZ LYS 23 -15.358 -3.220 0.351
149 HZ3 LYS 23 2HZ LYS 23 -16.217 -2.178 -0.668
150 H ARG 24 H ARG 24 -9.779 -0.044 -3.212
151 HA ARG 24 HA ARG 24 -11.366 0.396 -5.656
152 HB2 ARG 24 1HB ARG 24 -11.917 2.654 -4.689
153 HB3 ARG 24 2HB ARG 24 -12.649 1.289 -3.857
154 HG2 ARG 24 1HG ARG 24 -11.060 1.440 -2.074
155 HG3 ARG 24 2HG ARG 24 -10.135 2.665 -2.944
156 HD2 ARG 24 1HD ARG 24 -12.201 4.106 -2.877
157 HD3 ARG 24 2HD ARG 24 -12.897 2.921 -1.774
158 HE ARG 24 HE ARG 24 -10.320 3.980 -0.991
159 HH11 ARG 24 1HH1 ARG 24 -13.783 4.255 -0.753
160 HH12 ARG 24 2HH1 ARG 24 -13.741 5.145 0.733
161 HH21 ARG 24 1HH2 ARG 24 -10.252 5.151 0.965
162 HH22 ARG 24 2HH2 ARG 24 -11.732 5.655 1.709
163 H ARG 25 H ARG 25 -10.498 1.689 -7.205
164 HA ARG 25 HA ARG 25 -7.748 2.036 -7.362
165 HB2 ARG 25 1HB ARG 25 -9.623 2.165 -9.188
166 HB3 ARG 25 2HB ARG 25 -9.593 3.886 -8.826
167 HG2 ARG 25 1HG ARG 25 -7.406 4.133 -9.590
168 HG3 ARG 25 2HG ARG 25 -7.082 2.400 -9.498
169 HD2 ARG 25 1HD ARG 25 -7.336 3.022 -11.805
170 HD3 ARG 25 2HD ARG 25 -8.722 2.046 -11.321
171 HE ARG 25 HE ARG 25 -9.229 4.838 -11.038
172 HH11 ARG 25 1HH1 ARG 25 -9.089 2.234 -13.345
173 HH12 ARG 25 2HH1 ARG 25 -10.204 2.975 -14.444
174 HH21 ARG 25 1HH2 ARG 25 -10.698 5.823 -12.477
175 HH22 ARG 25 2HH2 ARG 25 -11.118 5.017 -13.950
176 H LEU 26 H LEU 26 -10.243 4.457 -6.593
177 HA LEU 26 HA LEU 26 -8.881 6.750 -6.348
178 HB2 LEU 26 1HB LEU 26 -11.296 6.094 -5.609
179 HB3 LEU 26 2HB LEU 26 -10.560 5.933 -4.016
180 HG LEU 26 HG LEU 26 -11.668 8.111 -4.364
181 HD11 LEU 26 1HD1 LEU 26 -9.797 9.496 -3.577
182 HD12 LEU 26 2HD1 LEU 26 -8.673 8.215 -4.031
183 HD13 LEU 26 3HD1 LEU 26 -9.863 7.934 -2.760
184 HD21 LEU 26 3HD2 LEU 26 -11.367 9.337 -6.192
185 HD22 LEU 26 1HD2 LEU 26 -10.441 7.996 -6.866
186 HD23 LEU 26 2HD2 LEU 26 -9.613 9.293 -6.005
187 H ASP 27 H ASP 27 -8.966 4.283 -3.778
188 HA ASP 27 HA ASP 27 -7.207 5.556 -2.019
189 HB2 ASP 27 1HB ASP 27 -8.703 3.390 -1.774
190 HB3 ASP 27 2HB ASP 27 -7.205 2.575 -2.218
191 H LEU 28 H LEU 28 -6.535 3.063 -4.470
192 HA LEU 28 HA LEU 28 -3.795 2.840 -4.069
193 HB2 LEU 28 1HB LEU 28 -4.847 1.249 -5.448
194 HB3 LEU 28 2HB LEU 28 -5.510 2.491 -6.508
195 HG LEU 28 HG LEU 28 -2.910 2.927 -6.938
196 HD11 LEU 28 1HD1 LEU 28 -1.795 1.354 -5.728
197 HD12 LEU 28 2HD1 LEU 28 -2.060 0.435 -7.210
198 HD13 LEU 28 3HD1 LEU 28 -3.113 0.185 -5.818
199 HD21 LEU 28 3HD2 LEU 28 -4.666 2.434 -8.605
200 HD22 LEU 28 1HD2 LEU 28 -4.472 0.714 -8.264
201 HD23 LEU 28 2HD2 LEU 28 -3.136 1.630 -8.961
202 H ASP 29 H ASP 29 -5.518 4.929 -6.384
203 HA ASP 29 HA ASP 29 -3.409 6.186 -7.593
204 HB2 ASP 29 1HB ASP 29 -5.999 6.503 -7.854
205 HB3 ASP 29 2HB ASP 29 -5.756 7.835 -6.728
206 H PHE 30 H PHE 30 -4.744 6.813 -4.398
207 HA PHE 30 HA PHE 30 -3.159 9.145 -3.918
208 HB2 PHE 30 1HB PHE 30 -5.388 8.275 -2.770
209 HB3 PHE 30 2HB PHE 30 -4.246 7.517 -1.666
210 HD1 PHE 30 HD1 PHE 30 -2.537 8.993 -0.514
211 HD2 PHE 30 HD2 PHE 30 -5.937 10.531 -2.563
212 HE1 PHE 30 HE1 PHE 30 -2.314 11.115 0.713
213 HE2 PHE 30 HE2 PHE 30 -5.718 12.654 -1.340
214 HZ PHE 30 HZ PHE 30 -3.904 12.949 0.300
215 H HIS 31 H HIS 31 -2.675 5.741 -3.607
216 HA HIS 31 HA HIS 31 -0.540 5.864 -1.710
217 HB2 HIS 31 1HB HIS 31 -1.463 3.759 -1.709
218 HB3 HIS 31 2HB HIS 31 -1.746 3.765 -3.447
219 HD1 HIS 31 HD1 HIS 31 1.048 3.272 -0.950
220 HD2 HIS 31 HD2 HIS 31 0.180 2.512 -4.941
221 HE1 HIS 31 HE1 HIS 31 2.928 1.823 -1.783
222 H GLN 32 H GLN 32 -0.693 5.471 -5.240
223 HA GLN 32 HA GLN 32 1.931 5.128 -5.878
224 HB2 GLN 32 1HB GLN 32 -0.162 6.799 -7.263
225 HB3 GLN 32 2HB GLN 32 1.423 6.495 -7.961
226 HG2 GLN 32 1HG GLN 32 0.992 4.262 -8.313
227 HG3 GLN 32 2HG GLN 32 -0.261 4.201 -7.074
228 HE21 GLN 32 1HE2 GLN 32 -1.776 3.282 -8.422
229 HE22 GLN 32 2HE2 GLN 32 -2.526 4.148 -9.715
230 H ARG 33 H ARG 33 0.501 7.910 -4.451
231 HA ARG 33 HA ARG 33 2.153 9.976 -5.216
232 HB2 ARG 33 1HB ARG 33 0.880 9.372 -2.550
233 HB3 ARG 33 2HB ARG 33 1.757 10.864 -2.860
234 HG2 ARG 33 1HG ARG 33 0.187 11.256 -4.787
235 HG3 ARG 33 2HG ARG 33 -0.764 9.900 -4.178
236 HD2 ARG 33 1HD ARG 33 -1.786 11.776 -3.237
237 HD3 ARG 33 2HD ARG 33 -0.762 11.153 -1.943
238 HE ARG 33 HE ARG 33 0.860 12.946 -3.041
239 HH11 ARG 33 1HH1 ARG 33 -2.515 13.168 -2.216
240 HH12 ARG 33 2HH1 ARG 33 -2.461 14.871 -1.904
241 HH21 ARG 33 1HH2 ARG 33 0.944 15.189 -2.633
242 HH22 ARG 33 2HH2 ARG 33 -0.493 16.020 -2.142
243 H VAL 34 H VAL 34 2.780 7.400 -2.902
244 HA VAL 34 HA VAL 34 5.169 8.453 -1.823
245 HB VAL 34 HB VAL 34 5.610 6.228 -0.979
246 HG11 VAL 34 1HG1 VAL 34 3.592 5.863 0.292
247 HG12 VAL 34 2HG1 VAL 34 3.851 7.598 0.096
248 HG13 VAL 34 3HG1 VAL 34 2.645 6.768 -0.888
249 HG21 VAL 34 3HG2 VAL 34 5.209 4.759 -2.738
250 HG22 VAL 34 1HG2 VAL 34 3.892 4.412 -1.618
251 HG23 VAL 34 2HG2 VAL 34 3.598 5.409 -3.043
252 H HIS 35 H HIS 35 4.481 6.499 -4.659
253 HA HIS 35 HA HIS 35 7.222 5.898 -5.227
254 HB2 HIS 35 1HB HIS 35 4.714 5.698 -6.901
255 HB3 HIS 35 2HB HIS 35 6.299 5.169 -7.455
256 HD1 HIS 35 HD1 HIS 35 7.437 3.391 -5.558
257 HD2 HIS 35 HD2 HIS 35 3.303 3.646 -5.879
258 HE1 HIS 35 HE1 HIS 35 6.553 1.261 -4.556
259 H THR 36 H THR 36 4.933 8.374 -6.207
260 HA THR 36 HA THR 36 6.428 9.465 -8.333
261 HB THR 36 HB THR 36 5.035 11.453 -8.106
262 HG1 THR 36 HG1 THR 36 3.616 11.639 -6.333
263 HG21 THR 36 3HG2 THR 36 3.734 9.997 -9.261
264 HG22 THR 36 1HG2 THR 36 2.746 10.075 -7.803
265 HG23 THR 36 2HG2 THR 36 3.869 8.736 -8.037
266 H GLY 37 H GLY 37 6.473 10.028 -4.859
267 HA2 GLY 37 1HA GLY 37 8.325 12.248 -5.101
268 HA3 GLY 37 2HA GLY 37 7.707 11.560 -3.606
269 H GLU 38 H GLU 38 9.363 9.913 -6.269
270 HA GLU 38 HA GLU 38 11.367 8.991 -4.332
271 HB2 GLU 38 1HB GLU 38 9.894 7.459 -5.912
272 HB3 GLU 38 2HB GLU 38 11.153 7.842 -7.078
273 HG2 GLU 38 1HG GLU 38 11.572 5.736 -5.907
274 HG3 GLU 38 2HG GLU 38 12.841 6.925 -5.622
275 H LYS 39 H LYS 39 13.586 9.034 -4.834
276 HA LYS 39 HA LYS 39 14.336 10.840 -7.037
277 HB2 LYS 39 1HB LYS 39 16.087 11.791 -5.600
278 HB3 LYS 39 2HB LYS 39 14.484 12.055 -4.927
279 HG2 LYS 39 1HG LYS 39 14.832 10.174 -3.392
280 HG3 LYS 39 2HG LYS 39 16.454 9.952 -4.051
281 HD2 LYS 39 1HD LYS 39 17.258 11.879 -3.079
282 HD3 LYS 39 2HD LYS 39 15.664 12.633 -3.007
283 HE2 LYS 39 1HE LYS 39 16.329 12.070 -0.777
284 HE3 LYS 39 2HE LYS 39 15.033 10.976 -1.258
285 HZ1 LYS 39 3HZ LYS 39 17.678 9.996 -1.849
286 HZ2 LYS 39 1HZ LYS 39 16.372 9.212 -1.112
287 HZ3 LYS 39 2HZ LYS 39 17.386 10.209 -0.196
288 H LEU 40 H LEU 40 16.864 10.719 -7.305
289 HA LEU 40 HA LEU 40 18.190 8.303 -6.700
290 HB2 LEU 40 1HB LEU 40 18.216 7.268 -8.903
291 HB3 LEU 40 2HB LEU 40 16.583 7.341 -8.245
292 HG LEU 40 HG LEU 40 16.432 9.518 -9.708
293 HD11 LEU 40 1HD1 LEU 40 18.986 8.930 -10.299
294 HD12 LEU 40 2HD1 LEU 40 17.906 9.796 -11.390
295 HD13 LEU 40 3HD1 LEU 40 18.165 8.064 -11.597
296 HD21 LEU 40 3HD2 LEU 40 15.553 8.162 -11.549
297 HD22 LEU 40 1HD2 LEU 40 15.033 7.546 -9.980
298 HD23 LEU 40 2HD2 LEU 40 16.326 6.732 -10.862
299 H SER 41 H SER 41 20.283 8.123 -7.806
300 HA SER 41 HA SER 41 21.347 10.777 -8.364
301 HB2 SER 41 1HB SER 41 22.541 9.386 -6.744
302 HB3 SER 41 2HB SER 41 22.754 8.126 -7.959
303 HG SER 41 HG SER 41 23.734 10.769 -8.251
304 H GLY 42 H GLY 42 22.550 11.294 -10.217
305 HA2 GLY 42 1HA GLY 42 23.013 9.483 -12.348
306 HA3 GLY 42 2HA GLY 42 21.545 10.401 -12.651
307 HA PRO 43 HA PRO 43 23.767 13.915 -14.043
308 HB2 PRO 43 1HB PRO 43 22.846 16.015 -12.591
309 HB3 PRO 43 2HB PRO 43 21.875 15.199 -13.823
310 HG2 PRO 43 1HG PRO 43 21.835 14.862 -10.848
311 HG3 PRO 43 2HG PRO 43 20.474 14.965 -11.981
312 HD2 PRO 43 1HD PRO 43 21.368 12.610 -10.987
313 HD3 PRO 43 2HD PRO 43 20.671 12.757 -12.614
314 H SER 44 H SER 44 23.618 14.044 -10.483
315 HA SER 44 HA SER 44 26.424 14.944 -10.484
316 HB2 SER 44 1HB SER 44 25.973 15.983 -8.308
317 HB3 SER 44 2HB SER 44 24.862 16.598 -9.532
318 HG SER 44 HG SER 44 23.229 15.590 -8.587
319 H SER 45 H SER 45 27.411 12.949 -10.436
320 HA SER 45 HA SER 45 27.176 11.512 -7.898
321 HB2 SER 45 1HB SER 45 27.006 9.360 -8.925
322 HB3 SER 45 2HB SER 45 25.765 10.370 -9.667
323 HG SER 45 HG SER 45 28.029 9.246 -10.772
324 H GLY 46 H GLY 46 28.988 9.808 -7.753
325 HA2 GLY 46 1HA GLY 46 31.373 10.473 -9.278
326 HA3 GLY 46 2HA GLY 46 31.429 10.881 -7.569
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 8.264 -25.609 6.342
2 HA2 GLY 1 1HA GLY 1 7.883 -23.888 8.620
3 HA3 GLY 1 2HA GLY 1 9.435 -23.652 7.828
4 H SER 2 H SER 2 6.022 -24.054 6.866
5 HA SER 2 HA SER 2 6.444 -21.987 4.822
6 HB2 SER 2 1HB SER 2 4.500 -22.868 3.698
7 HB3 SER 2 2HB SER 2 5.552 -24.222 4.111
8 HG SER 2 HG SER 2 4.089 -24.958 5.449
9 H SER 3 H SER 3 5.954 -20.013 5.515
10 HA SER 3 HA SER 3 3.667 -19.672 7.331
11 HB2 SER 3 1HB SER 3 5.627 -18.745 8.313
12 HB3 SER 3 2HB SER 3 6.100 -17.964 6.805
13 HG SER 3 HG SER 3 5.064 -16.304 7.553
14 H GLY 4 H GLY 4 2.152 -19.848 5.573
15 HA2 GLY 4 1HA GLY 4 2.183 -17.600 3.677
16 HA3 GLY 4 2HA GLY 4 1.245 -19.076 3.497
17 H SER 5 H SER 5 1.175 -15.849 4.433
18 HA SER 5 HA SER 5 -0.724 -15.743 6.449
19 HB2 SER 5 1HB SER 5 -1.277 -13.486 5.576
20 HB3 SER 5 2HB SER 5 0.463 -13.755 5.684
21 HG SER 5 HG SER 5 -1.184 -13.628 3.409
22 H SER 6 H SER 6 -2.853 -16.099 6.578
23 HA SER 6 HA SER 6 -4.303 -16.659 4.073
24 HB2 SER 6 1HB SER 6 -4.022 -18.693 5.380
25 HB3 SER 6 2HB SER 6 -4.680 -17.899 6.810
26 HG SER 6 HG SER 6 -6.670 -17.825 5.847
27 H GLY 7 H GLY 7 -6.536 -16.082 3.989
28 HA2 GLY 7 1HA GLY 7 -8.457 -14.934 4.687
29 HA3 GLY 7 2HA GLY 7 -7.578 -14.368 6.100
30 H SER 8 H SER 8 -6.765 -14.102 2.655
31 HA SER 8 HA SER 8 -7.031 -11.183 2.884
32 HB2 SER 8 1HB SER 8 -4.933 -10.813 1.791
33 HB3 SER 8 2HB SER 8 -4.629 -11.947 3.107
34 HG SER 8 HG SER 8 -3.954 -13.312 1.675
35 H GLY 9 H GLY 9 -8.529 -10.572 1.475
36 HA2 GLY 9 1HA GLY 9 -9.076 -12.168 -0.889
37 HA3 GLY 9 2HA GLY 9 -9.995 -10.778 -0.331
38 H GLU 10 H GLU 10 -8.228 -11.819 -2.822
39 HA GLU 10 HA GLU 10 -6.383 -9.801 -3.383
40 HB2 GLU 10 1HB GLU 10 -6.480 -10.539 -5.678
41 HB3 GLU 10 2HB GLU 10 -6.573 -11.943 -4.625
42 HG2 GLU 10 1HG GLU 10 -8.964 -12.079 -4.964
43 HG3 GLU 10 2HG GLU 10 -8.928 -10.619 -5.951
44 H LYS 11 H LYS 11 -6.504 -7.821 -4.330
45 HA LYS 11 HA LYS 11 -9.160 -6.621 -4.478
46 HB2 LYS 11 1HB LYS 11 -6.369 -5.523 -4.320
47 HB3 LYS 11 2HB LYS 11 -7.706 -4.497 -4.824
48 HG2 LYS 11 1HG LYS 11 -7.446 -4.129 -2.520
49 HG3 LYS 11 2HG LYS 11 -8.861 -5.173 -2.678
50 HD2 LYS 11 1HD LYS 11 -7.802 -6.977 -1.757
51 HD3 LYS 11 2HD LYS 11 -6.209 -6.467 -2.321
52 HE2 LYS 11 1HE LYS 11 -6.212 -6.228 0.040
53 HE3 LYS 11 2HE LYS 11 -6.326 -4.605 -0.637
54 HZ1 LYS 11 3HZ LYS 11 -8.079 -5.873 1.145
55 HZ2 LYS 11 1HZ LYS 11 -8.920 -5.573 -0.292
56 HZ3 LYS 11 2HZ LYS 11 -8.165 -4.301 0.528
57 HA PRO 12 HA PRO 12 -9.377 -6.405 -8.856
58 HB2 PRO 12 1HB PRO 12 -10.546 -3.985 -9.239
59 HB3 PRO 12 2HB PRO 12 -11.418 -5.383 -8.599
60 HG2 PRO 12 1HG PRO 12 -10.220 -3.064 -7.133
61 HG3 PRO 12 2HG PRO 12 -11.787 -3.855 -6.885
62 HD2 PRO 12 1HD PRO 12 -9.639 -4.356 -5.316
63 HD3 PRO 12 2HD PRO 12 -10.864 -5.588 -5.679
64 H TYR 13 H TYR 13 -8.277 -3.323 -7.435
65 HA TYR 13 HA TYR 13 -6.623 -2.828 -9.789
66 HB2 TYR 13 1HB TYR 13 -6.896 -1.024 -7.391
67 HB3 TYR 13 2HB TYR 13 -6.408 -0.595 -9.026
68 HD1 TYR 13 HD1 TYR 13 -8.139 -0.674 -10.866
69 HD2 TYR 13 HD2 TYR 13 -9.162 -0.958 -6.746
70 HE1 TYR 13 HE1 TYR 13 -10.462 -0.075 -11.408
71 HE2 TYR 13 HE2 TYR 13 -11.488 -0.361 -7.277
72 HH TYR 13 HH TYR 13 -12.753 -0.443 -10.347
73 H LYS 14 H LYS 14 -4.383 -2.408 -9.650
74 HA LYS 14 HA LYS 14 -3.021 -3.070 -7.159
75 HB2 LYS 14 1HB LYS 14 -2.439 -4.535 -9.739
76 HB3 LYS 14 2HB LYS 14 -1.581 -4.735 -8.217
77 HG2 LYS 14 1HG LYS 14 -2.973 -6.518 -8.084
78 HG3 LYS 14 2HG LYS 14 -4.017 -5.301 -7.345
79 HD2 LYS 14 1HD LYS 14 -5.261 -5.023 -9.338
80 HD3 LYS 14 2HD LYS 14 -4.069 -5.909 -10.292
81 HE2 LYS 14 1HE LYS 14 -5.402 -7.298 -8.020
82 HE3 LYS 14 2HE LYS 14 -6.317 -7.040 -9.504
83 HZ1 LYS 14 3HZ LYS 14 -4.685 -9.125 -9.060
84 HZ2 LYS 14 1HZ LYS 14 -3.656 -8.083 -9.908
85 HZ3 LYS 14 2HZ LYS 14 -5.124 -8.566 -10.595
86 H CYS 15 H CYS 15 -1.103 -2.030 -6.909
87 HA CYS 15 HA CYS 15 -0.527 0.188 -8.539
88 HB2 CYS 15 1HB CYS 15 0.072 -0.078 -6.105
89 HB3 CYS 15 2HB CYS 15 1.375 -1.150 -6.609
90 H VAL 16 H VAL 16 1.478 0.617 -9.706
91 HA VAL 16 HA VAL 16 2.339 -1.755 -11.214
92 HB VAL 16 HB VAL 16 1.304 0.077 -12.520
93 HG11 VAL 16 1HG1 VAL 16 1.793 2.190 -12.046
94 HG12 VAL 16 2HG1 VAL 16 3.072 1.678 -10.943
95 HG13 VAL 16 3HG1 VAL 16 3.426 1.924 -12.654
96 HG21 VAL 16 3HG2 VAL 16 4.234 -0.249 -13.152
97 HG22 VAL 16 1HG2 VAL 16 3.005 -1.471 -13.479
98 HG23 VAL 16 2HG2 VAL 16 2.927 0.095 -14.285
99 H GLU 17 H GLU 17 3.414 0.641 -9.016
100 HA GLU 17 HA GLU 17 6.205 0.475 -9.706
101 HB2 GLU 17 1HB GLU 17 4.827 1.641 -7.280
102 HB3 GLU 17 2HB GLU 17 6.541 1.801 -7.636
103 HG2 GLU 17 1HG GLU 17 4.276 2.860 -9.312
104 HG3 GLU 17 2HG GLU 17 5.324 3.805 -8.257
105 H CYS 18 H CYS 18 4.163 -0.725 -7.056
106 HA CYS 18 HA CYS 18 6.337 -2.567 -6.312
107 HB2 CYS 18 1HB CYS 18 5.051 -2.753 -4.126
108 HB3 CYS 18 2HB CYS 18 5.830 -1.205 -4.438
109 H GLY 19 H GLY 19 2.848 -2.321 -6.859
110 HA2 GLY 19 1HA GLY 19 1.746 -4.064 -8.130
111 HA3 GLY 19 2HA GLY 19 2.830 -5.224 -7.378
112 H LYS 20 H LYS 20 1.586 -2.799 -5.311
113 HA LYS 20 HA LYS 20 0.371 -4.617 -3.565
114 HB2 LYS 20 1HB LYS 20 0.157 -1.631 -3.875
115 HB3 LYS 20 2HB LYS 20 -0.753 -2.493 -2.641
116 HG2 LYS 20 1HG LYS 20 2.235 -2.674 -2.907
117 HG3 LYS 20 2HG LYS 20 1.418 -1.485 -1.891
118 HD2 LYS 20 1HD LYS 20 1.626 -3.074 -0.305
119 HD3 LYS 20 2HD LYS 20 0.194 -3.757 -1.080
120 HE2 LYS 20 1HE LYS 20 2.078 -4.863 -2.618
121 HE3 LYS 20 2HE LYS 20 3.014 -4.667 -1.137
122 HZ1 LYS 20 3HZ LYS 20 0.350 -5.825 -0.875
123 HZ2 LYS 20 1HZ LYS 20 1.777 -6.191 -0.043
124 HZ3 LYS 20 2HZ LYS 20 1.532 -6.791 -1.605
125 H GLY 21 H GLY 21 -2.070 -3.900 -2.834
126 HA2 GLY 21 1HA GLY 21 -3.774 -3.890 -5.225
127 HA3 GLY 21 2HA GLY 21 -3.926 -5.226 -4.093
128 H TYR 22 H TYR 22 -5.499 -2.628 -5.000
129 HA TYR 22 HA TYR 22 -6.417 -1.996 -2.273
130 HB2 TYR 22 1HB TYR 22 -6.081 -0.127 -4.622
131 HB3 TYR 22 2HB TYR 22 -6.999 0.289 -3.180
132 HD1 TYR 22 HD2 TYR 22 -3.630 -0.486 -4.469
133 HD2 TYR 22 HD1 TYR 22 -5.901 0.922 -1.158
134 HE1 TYR 22 HE2 TYR 22 -1.560 0.273 -3.379
135 HE2 TYR 22 HE1 TYR 22 -3.838 1.686 -0.059
136 HH TYR 22 HH TYR 22 -0.663 1.021 -1.449
137 H LYS 23 H LYS 23 -8.599 -1.899 -1.937
138 HA LYS 23 HA LYS 23 -10.274 -3.311 -3.734
139 HB2 LYS 23 1HB LYS 23 -10.434 -3.017 -1.146
140 HB3 LYS 23 2HB LYS 23 -11.347 -1.567 -1.542
141 HG2 LYS 23 1HG LYS 23 -13.004 -2.850 -2.700
142 HG3 LYS 23 2HG LYS 23 -12.044 -4.322 -2.535
143 HD2 LYS 23 1HD LYS 23 -13.523 -4.600 -0.806
144 HD3 LYS 23 2HD LYS 23 -12.220 -3.751 0.030
145 HE2 LYS 23 1HE LYS 23 -13.391 -1.742 0.071
146 HE3 LYS 23 2HE LYS 23 -14.465 -2.228 -1.239
147 HZ1 LYS 23 3HZ LYS 23 -15.884 -2.610 0.437
148 HZ2 LYS 23 1HZ LYS 23 -14.666 -2.742 1.604
149 HZ3 LYS 23 2HZ LYS 23 -15.036 -4.063 0.615
150 H ARG 24 H ARG 24 -9.784 0.103 -3.054
151 HA ARG 24 HA ARG 24 -11.677 0.750 -5.219
152 HB2 ARG 24 1HB ARG 24 -12.528 1.716 -3.232
153 HB3 ARG 24 2HB ARG 24 -10.937 2.264 -2.724
154 HG2 ARG 24 1HG ARG 24 -10.903 3.962 -4.392
155 HG3 ARG 24 2HG ARG 24 -12.361 3.320 -5.152
156 HD2 ARG 24 1HD ARG 24 -13.106 5.160 -3.911
157 HD3 ARG 24 2HD ARG 24 -13.510 3.761 -2.916
158 HE ARG 24 HE ARG 24 -10.961 4.985 -2.323
159 HH11 ARG 24 1HH1 ARG 24 -14.369 4.886 -1.621
160 HH12 ARG 24 2HH1 ARG 24 -14.197 5.583 -0.044
161 HH21 ARG 24 1HH2 ARG 24 -10.721 5.904 -0.249
162 HH22 ARG 24 2HH2 ARG 24 -12.122 6.162 0.735
163 H ARG 25 H ARG 25 -10.982 1.944 -6.911
164 HA ARG 25 HA ARG 25 -8.279 2.085 -7.544
165 HB2 ARG 25 1HB ARG 25 -9.923 2.183 -9.287
166 HB3 ARG 25 2HB ARG 25 -10.629 3.648 -8.615
167 HG2 ARG 25 1HG ARG 25 -9.398 4.418 -10.419
168 HG3 ARG 25 2HG ARG 25 -8.326 4.705 -9.046
169 HD2 ARG 25 1HD ARG 25 -7.208 2.538 -9.554
170 HD3 ARG 25 2HD ARG 25 -8.202 2.417 -11.005
171 HE ARG 25 HE ARG 25 -6.866 3.983 -12.018
172 HH11 ARG 25 1HH1 ARG 25 -6.218 3.943 -8.598
173 HH12 ARG 25 2HH1 ARG 25 -4.830 4.973 -8.716
174 HH21 ARG 25 1HH2 ARG 25 -5.041 5.340 -12.187
175 HH22 ARG 25 2HH2 ARG 25 -4.162 5.768 -10.758
176 H LEU 26 H LEU 26 -10.420 4.600 -6.249
177 HA LEU 26 HA LEU 26 -8.704 6.763 -6.307
178 HB2 LEU 26 1HB LEU 26 -11.153 6.627 -5.576
179 HB3 LEU 26 2HB LEU 26 -10.524 6.215 -3.982
180 HG LEU 26 HG LEU 26 -11.119 8.575 -4.126
181 HD11 LEU 26 1HD1 LEU 26 -8.147 8.612 -4.080
182 HD12 LEU 26 2HD1 LEU 26 -8.996 7.598 -2.914
183 HD13 LEU 26 3HD1 LEU 26 -9.306 9.333 -2.964
184 HD21 LEU 26 3HD2 LEU 26 -8.954 9.469 -5.797
185 HD22 LEU 26 1HD2 LEU 26 -10.676 9.836 -5.900
186 HD23 LEU 26 2HD2 LEU 26 -10.032 8.399 -6.695
187 H ASP 27 H ASP 27 -9.003 4.259 -3.813
188 HA ASP 27 HA ASP 27 -7.208 5.290 -1.955
189 HB2 ASP 27 1HB ASP 27 -8.157 2.534 -2.626
190 HB3 ASP 27 2HB ASP 27 -6.817 2.721 -1.497
191 H LEU 28 H LEU 28 -6.569 2.989 -4.599
192 HA LEU 28 HA LEU 28 -3.798 2.795 -4.170
193 HB2 LEU 28 1HB LEU 28 -4.774 1.124 -5.486
194 HB3 LEU 28 2HB LEU 28 -5.564 2.295 -6.540
195 HG LEU 28 HG LEU 28 -3.025 2.886 -7.108
196 HD11 LEU 28 1HD1 LEU 28 -2.342 1.055 -5.443
197 HD12 LEU 28 2HD1 LEU 28 -1.556 1.083 -7.021
198 HD13 LEU 28 3HD1 LEU 28 -2.845 -0.077 -6.698
199 HD21 LEU 28 3HD2 LEU 28 -3.258 1.103 -8.954
200 HD22 LEU 28 1HD2 LEU 28 -4.467 2.384 -8.862
201 HD23 LEU 28 2HD2 LEU 28 -4.834 0.778 -8.231
202 H ASP 29 H ASP 29 -5.665 4.826 -6.413
203 HA ASP 29 HA ASP 29 -3.636 6.097 -7.753
204 HB2 ASP 29 1HB ASP 29 -6.209 6.365 -7.956
205 HB3 ASP 29 2HB ASP 29 -6.012 7.656 -6.773
206 H PHE 30 H PHE 30 -4.719 6.614 -4.469
207 HA PHE 30 HA PHE 30 -3.114 8.994 -4.121
208 HB2 PHE 30 1HB PHE 30 -5.369 8.288 -2.930
209 HB3 PHE 30 2HB PHE 30 -4.268 7.492 -1.810
210 HD1 PHE 30 HD2 PHE 30 -4.957 10.779 -3.401
211 HD2 PHE 30 HD1 PHE 30 -3.297 8.693 -0.083
212 HE1 PHE 30 HE2 PHE 30 -4.607 12.918 -2.235
213 HE2 PHE 30 HE1 PHE 30 -2.945 10.828 1.088
214 HZ PHE 30 HZ PHE 30 -3.599 12.944 0.012
215 H HIS 31 H HIS 31 -2.725 5.602 -3.790
216 HA HIS 31 HA HIS 31 -0.647 5.622 -1.839
217 HB2 HIS 31 1HB HIS 31 -1.614 3.536 -1.976
218 HB3 HIS 31 2HB HIS 31 -1.788 3.612 -3.727
219 HD1 HIS 31 HD1 HIS 31 0.831 2.975 -1.078
220 HD2 HIS 31 HD2 HIS 31 0.224 2.407 -5.149
221 HE1 HIS 31 HE1 HIS 31 2.747 1.540 -1.850
222 H GLN 32 H GLN 32 -0.659 5.347 -5.386
223 HA GLN 32 HA GLN 32 1.984 5.017 -5.931
224 HB2 GLN 32 1HB GLN 32 -0.060 6.730 -7.334
225 HB3 GLN 32 2HB GLN 32 1.559 6.487 -7.975
226 HG2 GLN 32 1HG GLN 32 1.198 4.215 -8.354
227 HG3 GLN 32 2HG GLN 32 -0.208 4.170 -7.293
228 HE21 GLN 32 1HE2 GLN 32 -1.721 3.458 -8.683
229 HE22 GLN 32 2HE2 GLN 32 -2.208 4.297 -10.113
230 H ARG 33 H ARG 33 0.471 7.824 -4.579
231 HA ARG 33 HA ARG 33 2.191 9.870 -5.170
232 HB2 ARG 33 1HB ARG 33 1.020 9.318 -2.437
233 HB3 ARG 33 2HB ARG 33 1.567 10.876 -3.042
234 HG2 ARG 33 1HG ARG 33 -0.530 9.448 -4.581
235 HG3 ARG 33 2HG ARG 33 -0.980 10.191 -3.045
236 HD2 ARG 33 1HD ARG 33 0.479 11.656 -5.233
237 HD3 ARG 33 2HD ARG 33 -1.277 11.636 -5.086
238 HE ARG 33 HE ARG 33 0.144 12.489 -2.717
239 HH11 ARG 33 1HH1 ARG 33 -1.407 13.446 -5.683
240 HH12 ARG 33 2HH1 ARG 33 -1.687 15.075 -5.164
241 HH21 ARG 33 1HH2 ARG 33 -0.219 14.630 -2.021
242 HH22 ARG 33 2HH2 ARG 33 -1.010 15.748 -3.081
243 H VAL 34 H VAL 34 2.663 7.259 -2.849
244 HA VAL 34 HA VAL 34 4.977 8.238 -1.600
245 HB VAL 34 HB VAL 34 5.417 5.934 -0.920
246 HG11 VAL 34 1HG1 VAL 34 2.491 6.662 -0.837
247 HG12 VAL 34 2HG1 VAL 34 3.279 5.478 0.208
248 HG13 VAL 34 3HG1 VAL 34 3.733 7.180 0.303
249 HG21 VAL 34 3HG2 VAL 34 5.026 4.489 -2.640
250 HG22 VAL 34 1HG2 VAL 34 3.511 4.289 -1.759
251 HG23 VAL 34 2HG2 VAL 34 3.576 5.340 -3.173
252 H HIS 35 H HIS 35 4.543 6.281 -4.512
253 HA HIS 35 HA HIS 35 7.323 5.842 -4.951
254 HB2 HIS 35 1HB HIS 35 4.954 5.642 -6.820
255 HB3 HIS 35 2HB HIS 35 6.587 5.128 -7.232
256 HD1 HIS 35 HD1 HIS 35 7.570 3.236 -5.458
257 HD2 HIS 35 HD2 HIS 35 3.449 3.658 -5.773
258 HE1 HIS 35 HE1 HIS 35 6.604 1.109 -4.528
259 H THR 36 H THR 36 5.014 8.277 -5.986
260 HA THR 36 HA THR 36 6.716 9.499 -7.918
261 HB THR 36 HB THR 36 5.118 11.339 -7.927
262 HG1 THR 36 HG1 THR 36 3.281 11.112 -6.421
263 HG21 THR 36 3HG2 THR 36 2.973 9.611 -7.898
264 HG22 THR 36 1HG2 THR 36 4.342 8.540 -8.196
265 HG23 THR 36 2HG2 THR 36 4.039 9.905 -9.271
266 H GLY 37 H GLY 37 5.978 10.148 -4.514
267 HA2 GLY 37 1HA GLY 37 7.737 12.450 -4.451
268 HA3 GLY 37 2HA GLY 37 6.842 11.780 -3.095
269 H GLU 38 H GLU 38 9.349 10.533 -5.306
270 HA GLU 38 HA GLU 38 10.749 9.450 -2.966
271 HB2 GLU 38 1HB GLU 38 10.190 7.852 -4.744
272 HB3 GLU 38 2HB GLU 38 11.092 8.820 -5.903
273 HG2 GLU 38 1HG GLU 38 12.556 7.110 -5.366
274 HG3 GLU 38 2HG GLU 38 13.100 8.448 -4.355
275 H LYS 39 H LYS 39 12.731 10.125 -2.379
276 HA LYS 39 HA LYS 39 13.725 12.593 -3.033
277 HB2 LYS 39 1HB LYS 39 15.794 11.939 -1.975
278 HB3 LYS 39 2HB LYS 39 14.451 11.219 -1.096
279 HG2 LYS 39 1HG LYS 39 14.858 9.101 -2.330
280 HG3 LYS 39 2HG LYS 39 16.293 9.845 -3.040
281 HD2 LYS 39 1HD LYS 39 15.862 9.665 -0.067
282 HD3 LYS 39 2HD LYS 39 16.661 8.390 -0.990
283 HE2 LYS 39 1HE LYS 39 18.234 10.177 -1.843
284 HE3 LYS 39 2HE LYS 39 17.535 11.248 -0.629
285 HZ1 LYS 39 3HZ LYS 39 19.611 10.097 0.068
286 HZ2 LYS 39 1HZ LYS 39 18.771 8.629 0.014
287 HZ3 LYS 39 2HZ LYS 39 18.297 9.835 1.101
288 H LEU 40 H LEU 40 15.495 13.327 -4.299
289 HA LEU 40 HA LEU 40 16.284 13.589 -6.463
290 HB2 LEU 40 1HB LEU 40 17.572 11.120 -5.341
291 HB3 LEU 40 2HB LEU 40 18.064 11.805 -6.888
292 HG LEU 40 HG LEU 40 19.537 12.440 -5.001
293 HD11 LEU 40 1HD1 LEU 40 18.437 14.076 -7.012
294 HD12 LEU 40 2HD1 LEU 40 19.999 14.237 -6.210
295 HD13 LEU 40 3HD1 LEU 40 18.586 15.072 -5.564
296 HD21 LEU 40 3HD2 LEU 40 17.671 12.537 -3.320
297 HD22 LEU 40 1HD2 LEU 40 17.213 14.087 -4.026
298 HD23 LEU 40 2HD2 LEU 40 18.797 13.895 -3.275
299 H SER 41 H SER 41 13.785 12.649 -6.798
300 HA SER 41 HA SER 41 13.196 10.282 -7.945
301 HB2 SER 41 1HB SER 41 11.621 11.544 -9.470
302 HB3 SER 41 2HB SER 41 11.485 11.946 -7.759
303 HG SER 41 HG SER 41 11.581 13.752 -9.322
304 H GLY 42 H GLY 42 14.864 12.964 -9.553
305 HA2 GLY 42 1HA GLY 42 16.461 11.347 -11.170
306 HA3 GLY 42 2HA GLY 42 15.028 11.754 -12.103
307 HA PRO 43 HA PRO 43 16.572 15.724 -13.139
308 HB2 PRO 43 1HB PRO 43 14.608 17.480 -12.482
309 HB3 PRO 43 2HB PRO 43 14.473 16.350 -13.835
310 HG2 PRO 43 1HG PRO 43 13.349 16.135 -11.069
311 HG3 PRO 43 2HG PRO 43 12.580 15.757 -12.621
312 HD2 PRO 43 1HD PRO 43 13.618 13.847 -11.006
313 HD3 PRO 43 2HD PRO 43 13.613 13.702 -12.775
314 H SER 44 H SER 44 18.283 15.697 -11.544
315 HA SER 44 HA SER 44 18.245 16.448 -8.936
316 HB2 SER 44 1HB SER 44 20.286 15.804 -10.203
317 HB3 SER 44 2HB SER 44 20.298 17.403 -10.947
318 HG SER 44 HG SER 44 20.174 17.313 -8.172
319 H SER 45 H SER 45 18.376 18.671 -11.708
320 HA SER 45 HA SER 45 18.331 21.035 -10.143
321 HB2 SER 45 1HB SER 45 19.079 20.805 -12.571
322 HB3 SER 45 2HB SER 45 17.367 20.809 -12.996
323 HG SER 45 HG SER 45 18.813 22.856 -11.668
324 H GLY 46 H GLY 46 16.620 20.608 -8.640
325 HA2 GLY 46 1HA GLY 46 13.918 20.835 -9.807
326 HA3 GLY 46 2HA GLY 46 14.272 20.097 -8.251
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 9.318 -15.150 3.128
2 HA2 GLY 1 1HA GLY 1 10.484 -12.649 2.331
3 HA3 GLY 1 2HA GLY 1 8.873 -12.883 1.668
4 H SER 2 H SER 2 7.530 -14.096 3.693
5 HA SER 2 HA SER 2 7.863 -12.364 6.036
6 HB2 SER 2 1HB SER 2 5.579 -11.691 6.056
7 HB3 SER 2 2HB SER 2 6.148 -11.420 4.408
8 HG SER 2 HG SER 2 5.035 -13.176 3.724
9 H SER 3 H SER 3 7.294 -13.276 7.968
10 HA SER 3 HA SER 3 7.364 -16.034 8.248
11 HB2 SER 3 1HB SER 3 7.831 -14.381 10.062
12 HB3 SER 3 2HB SER 3 6.097 -14.088 10.190
13 HG SER 3 HG SER 3 7.058 -15.694 11.672
14 H GLY 4 H GLY 4 4.558 -13.860 8.207
15 HA2 GLY 4 1HA GLY 4 2.695 -16.047 8.516
16 HA3 GLY 4 2HA GLY 4 2.291 -14.358 8.249
17 H SER 5 H SER 5 1.419 -13.879 6.351
18 HA SER 5 HA SER 5 2.322 -15.005 3.893
19 HB2 SER 5 1HB SER 5 0.450 -16.324 3.271
20 HB3 SER 5 2HB SER 5 0.863 -16.843 4.906
21 HG SER 5 HG SER 5 -0.790 -14.993 5.376
22 H SER 6 H SER 6 1.491 -13.933 2.085
23 HA SER 6 HA SER 6 -0.281 -11.655 2.684
24 HB2 SER 6 1HB SER 6 2.034 -11.654 0.732
25 HB3 SER 6 2HB SER 6 0.994 -10.285 1.128
26 HG SER 6 HG SER 6 3.200 -10.737 2.260
27 H GLY 7 H GLY 7 -2.061 -12.941 1.968
28 HA2 GLY 7 1HA GLY 7 -2.135 -13.266 -0.969
29 HA3 GLY 7 2HA GLY 7 -2.909 -14.398 0.129
30 H SER 8 H SER 8 -2.999 -11.115 -1.133
31 HA SER 8 HA SER 8 -5.375 -10.315 0.173
32 HB2 SER 8 1HB SER 8 -5.367 -8.430 -1.285
33 HB3 SER 8 2HB SER 8 -3.674 -8.811 -0.973
34 HG SER 8 HG SER 8 -4.131 -10.198 -3.038
35 H GLY 9 H GLY 9 -7.481 -9.976 -0.781
36 HA2 GLY 9 1HA GLY 9 -8.392 -12.298 -2.190
37 HA3 GLY 9 2HA GLY 9 -9.375 -10.929 -1.692
38 H GLU 10 H GLU 10 -6.774 -11.650 -4.025
39 HA GLU 10 HA GLU 10 -6.370 -10.672 -6.083
40 HB2 GLU 10 1HB GLU 10 -8.112 -11.329 -7.708
41 HB3 GLU 10 2HB GLU 10 -7.689 -12.636 -6.611
42 HG2 GLU 10 1HG GLU 10 -9.691 -12.175 -5.289
43 HG3 GLU 10 2HG GLU 10 -10.117 -10.871 -6.395
44 H LYS 11 H LYS 11 -6.801 -8.575 -4.527
45 HA LYS 11 HA LYS 11 -8.863 -6.875 -4.688
46 HB2 LYS 11 1HB LYS 11 -5.942 -6.232 -5.086
47 HB3 LYS 11 2HB LYS 11 -7.174 -4.994 -4.882
48 HG2 LYS 11 1HG LYS 11 -6.806 -7.184 -2.869
49 HG3 LYS 11 2HG LYS 11 -5.839 -5.708 -2.827
50 HD2 LYS 11 1HD LYS 11 -8.033 -4.437 -2.857
51 HD3 LYS 11 2HD LYS 11 -8.824 -5.985 -2.551
52 HE2 LYS 11 1HE LYS 11 -7.609 -6.248 -0.487
53 HE3 LYS 11 2HE LYS 11 -6.661 -4.798 -0.816
54 HZ1 LYS 11 3HZ LYS 11 -8.769 -3.529 -0.749
55 HZ2 LYS 11 1HZ LYS 11 -8.376 -4.255 0.728
56 HZ3 LYS 11 2HZ LYS 11 -9.572 -4.934 -0.256
57 HA PRO 12 HA PRO 12 -9.821 -5.923 -8.868
58 HB2 PRO 12 1HB PRO 12 -10.791 -3.403 -8.595
59 HB3 PRO 12 2HB PRO 12 -11.676 -4.836 -8.060
60 HG2 PRO 12 1HG PRO 12 -10.020 -2.925 -6.458
61 HG3 PRO 12 2HG PRO 12 -11.593 -3.643 -6.065
62 HD2 PRO 12 1HD PRO 12 -9.269 -4.576 -5.037
63 HD3 PRO 12 2HD PRO 12 -10.655 -5.632 -5.377
64 H TYR 13 H TYR 13 -8.063 -3.383 -7.107
65 HA TYR 13 HA TYR 13 -6.642 -2.745 -9.609
66 HB2 TYR 13 1HB TYR 13 -6.947 -0.878 -7.259
67 HB3 TYR 13 2HB TYR 13 -6.415 -0.488 -8.891
68 HD1 TYR 13 HD1 TYR 13 -8.047 -0.373 -10.734
69 HD2 TYR 13 HD2 TYR 13 -9.279 -1.033 -6.716
70 HE1 TYR 13 HE1 TYR 13 -10.354 0.214 -11.352
71 HE2 TYR 13 HE2 TYR 13 -11.590 -0.450 -7.322
72 HH TYR 13 HH TYR 13 -12.405 1.070 -10.207
73 H LYS 14 H LYS 14 -4.420 -2.524 -9.563
74 HA LYS 14 HA LYS 14 -3.045 -3.061 -7.031
75 HB2 LYS 14 1HB LYS 14 -2.581 -4.570 -9.610
76 HB3 LYS 14 2HB LYS 14 -1.548 -4.676 -8.190
77 HG2 LYS 14 1HG LYS 14 -2.841 -6.500 -7.826
78 HG3 LYS 14 2HG LYS 14 -3.849 -5.291 -7.027
79 HD2 LYS 14 1HD LYS 14 -5.436 -5.332 -8.667
80 HD3 LYS 14 2HD LYS 14 -4.274 -5.736 -9.932
81 HE2 LYS 14 1HE LYS 14 -5.876 -7.567 -9.402
82 HE3 LYS 14 2HE LYS 14 -4.182 -8.017 -9.208
83 HZ1 LYS 14 3HZ LYS 14 -4.359 -8.011 -6.915
84 HZ2 LYS 14 1HZ LYS 14 -5.844 -8.668 -7.388
85 HZ3 LYS 14 2HZ LYS 14 -5.751 -7.050 -6.905
86 H CYS 15 H CYS 15 -1.019 -2.150 -6.844
87 HA CYS 15 HA CYS 15 -0.485 0.118 -8.457
88 HB2 CYS 15 1HB CYS 15 0.133 -0.142 -6.032
89 HB3 CYS 15 2HB CYS 15 1.416 -1.236 -6.537
90 H VAL 16 H VAL 16 1.448 0.536 -9.700
91 HA VAL 16 HA VAL 16 2.314 -1.848 -11.181
92 HB VAL 16 HB VAL 16 1.259 -0.091 -12.528
93 HG11 VAL 16 1HG1 VAL 16 2.275 2.082 -12.807
94 HG12 VAL 16 2HG1 VAL 16 1.923 1.815 -11.099
95 HG13 VAL 16 3HG1 VAL 16 3.575 1.653 -11.696
96 HG21 VAL 16 3HG2 VAL 16 4.219 -0.301 -13.073
97 HG22 VAL 16 1HG2 VAL 16 3.018 -1.522 -13.496
98 HG23 VAL 16 2HG2 VAL 16 2.957 0.073 -14.247
99 H GLU 17 H GLU 17 3.412 0.588 -9.036
100 HA GLU 17 HA GLU 17 6.191 0.425 -9.771
101 HB2 GLU 17 1HB GLU 17 4.837 1.630 -7.352
102 HB3 GLU 17 2HB GLU 17 6.550 1.779 -7.715
103 HG2 GLU 17 1HG GLU 17 5.802 3.744 -8.569
104 HG3 GLU 17 2HG GLU 17 5.643 2.722 -9.996
105 H CYS 18 H CYS 18 4.267 -0.642 -6.969
106 HA CYS 18 HA CYS 18 6.449 -2.474 -6.247
107 HB2 CYS 18 1HB CYS 18 5.266 -2.633 -4.046
108 HB3 CYS 18 2HB CYS 18 5.846 -1.016 -4.432
109 H GLY 19 H GLY 19 2.960 -2.320 -6.819
110 HA2 GLY 19 1HA GLY 19 1.902 -4.112 -8.053
111 HA3 GLY 19 2HA GLY 19 3.011 -5.233 -7.276
112 H LYS 20 H LYS 20 1.581 -2.742 -5.360
113 HA LYS 20 HA LYS 20 0.426 -4.588 -3.560
114 HB2 LYS 20 1HB LYS 20 1.137 -1.991 -3.380
115 HB3 LYS 20 2HB LYS 20 -0.602 -1.810 -3.571
116 HG2 LYS 20 1HG LYS 20 -0.551 -1.972 -1.324
117 HG3 LYS 20 2HG LYS 20 -0.581 -3.700 -1.684
118 HD2 LYS 20 1HD LYS 20 1.978 -2.150 -1.355
119 HD3 LYS 20 2HD LYS 20 1.153 -2.926 -0.001
120 HE2 LYS 20 1HE LYS 20 2.559 -4.619 -0.582
121 HE3 LYS 20 2HE LYS 20 1.209 -5.003 -1.649
122 HZ1 LYS 20 3HZ LYS 20 3.644 -3.479 -2.403
123 HZ2 LYS 20 1HZ LYS 20 2.339 -3.804 -3.429
124 HZ3 LYS 20 2HZ LYS 20 3.291 -5.073 -2.846
125 H GLY 21 H GLY 21 -2.028 -3.843 -2.854
126 HA2 GLY 21 1HA GLY 21 -3.720 -3.823 -5.245
127 HA3 GLY 21 2HA GLY 21 -3.857 -5.199 -4.160
128 H TYR 22 H TYR 22 -5.517 -2.662 -4.985
129 HA TYR 22 HA TYR 22 -6.444 -2.124 -2.244
130 HB2 TYR 22 1HB TYR 22 -5.976 -0.169 -4.485
131 HB3 TYR 22 2HB TYR 22 -7.085 0.192 -3.167
132 HD1 TYR 22 HD2 TYR 22 -3.552 -0.697 -3.897
133 HD2 TYR 22 HD1 TYR 22 -6.284 1.027 -1.127
134 HE1 TYR 22 HE2 TYR 22 -1.663 0.085 -2.529
135 HE2 TYR 22 HE1 TYR 22 -4.403 1.814 0.248
136 HH TYR 22 HH TYR 22 -1.759 2.384 -0.406
137 H LYS 23 H LYS 23 -8.646 -1.968 -1.946
138 HA LYS 23 HA LYS 23 -10.283 -3.341 -3.827
139 HB2 LYS 23 1HB LYS 23 -10.671 -3.503 -1.415
140 HB3 LYS 23 2HB LYS 23 -11.040 -1.785 -1.346
141 HG2 LYS 23 1HG LYS 23 -13.017 -2.103 -2.675
142 HG3 LYS 23 2HG LYS 23 -12.617 -3.803 -2.930
143 HD2 LYS 23 1HD LYS 23 -14.258 -3.761 -1.226
144 HD3 LYS 23 2HD LYS 23 -12.721 -4.068 -0.415
145 HE2 LYS 23 1HE LYS 23 -12.680 -2.012 0.581
146 HE3 LYS 23 2HE LYS 23 -13.602 -1.246 -0.712
147 HZ1 LYS 23 3HZ LYS 23 -14.699 -3.069 1.361
148 HZ2 LYS 23 1HZ LYS 23 -15.590 -2.365 0.107
149 HZ3 LYS 23 2HZ LYS 23 -14.903 -1.391 1.307
150 H ARG 24 H ARG 24 -9.807 0.037 -2.986
151 HA ARG 24 HA ARG 24 -11.697 0.782 -5.121
152 HB2 ARG 24 1HB ARG 24 -12.352 1.558 -2.863
153 HB3 ARG 24 2HB ARG 24 -10.830 2.430 -2.739
154 HG2 ARG 24 1HG ARG 24 -11.452 3.985 -4.368
155 HG3 ARG 24 2HG ARG 24 -12.763 2.965 -4.965
156 HD2 ARG 24 1HD ARG 24 -12.830 3.899 -2.136
157 HD3 ARG 24 2HD ARG 24 -13.249 5.034 -3.418
158 HE ARG 24 HE ARG 24 -14.801 2.788 -2.511
159 HH11 ARG 24 1HH1 ARG 24 -14.180 4.970 -5.152
160 HH12 ARG 24 2HH1 ARG 24 -15.743 4.755 -5.868
161 HH21 ARG 24 1HH2 ARG 24 -16.862 2.497 -3.444
162 HH22 ARG 24 2HH2 ARG 24 -17.268 3.349 -4.895
163 H ARG 25 H ARG 25 -10.879 1.733 -6.866
164 HA ARG 25 HA ARG 25 -8.189 2.007 -7.392
165 HB2 ARG 25 1HB ARG 25 -9.992 2.023 -9.099
166 HB3 ARG 25 2HB ARG 25 -10.412 3.658 -8.606
167 HG2 ARG 25 1HG ARG 25 -8.541 4.577 -9.562
168 HG3 ARG 25 2HG ARG 25 -7.616 3.078 -9.449
169 HD2 ARG 25 1HD ARG 25 -8.129 3.454 -11.752
170 HD3 ARG 25 2HD ARG 25 -9.118 2.107 -11.188
171 HE ARG 25 HE ARG 25 -10.749 4.227 -10.850
172 HH11 ARG 25 1HH1 ARG 25 -8.853 3.103 -13.545
173 HH12 ARG 25 2HH1 ARG 25 -9.939 3.734 -14.739
174 HH21 ARG 25 1HH2 ARG 25 -12.185 5.062 -12.413
175 HH22 ARG 25 2HH2 ARG 25 -11.833 4.849 -14.094
176 H LEU 26 H LEU 26 -10.456 4.541 -6.350
177 HA LEU 26 HA LEU 26 -8.841 6.745 -6.389
178 HB2 LEU 26 1HB LEU 26 -11.311 6.338 -5.549
179 HB3 LEU 26 2HB LEU 26 -10.525 6.322 -3.972
180 HG LEU 26 HG LEU 26 -11.430 8.517 -4.448
181 HD11 LEU 26 1HD1 LEU 26 -9.199 8.178 -3.261
182 HD12 LEU 26 2HD1 LEU 26 -9.554 9.793 -3.872
183 HD13 LEU 26 3HD1 LEU 26 -8.453 8.738 -4.758
184 HD21 LEU 26 3HD2 LEU 26 -9.653 9.395 -6.503
185 HD22 LEU 26 1HD2 LEU 26 -11.416 9.393 -6.485
186 HD23 LEU 26 2HD2 LEU 26 -10.539 7.979 -7.070
187 H ASP 27 H ASP 27 -9.042 4.311 -3.814
188 HA ASP 27 HA ASP 27 -7.290 5.477 -1.995
189 HB2 ASP 27 1HB ASP 27 -8.141 2.667 -2.561
190 HB3 ASP 27 2HB ASP 27 -6.804 2.939 -1.447
191 H LEU 28 H LEU 28 -6.515 2.943 -4.388
192 HA LEU 28 HA LEU 28 -3.763 2.921 -4.000
193 HB2 LEU 28 1HB LEU 28 -4.695 1.169 -5.251
194 HB3 LEU 28 2HB LEU 28 -5.482 2.277 -6.373
195 HG LEU 28 HG LEU 28 -2.951 2.892 -6.924
196 HD11 LEU 28 1HD1 LEU 28 -2.856 0.068 -5.887
197 HD12 LEU 28 2HD1 LEU 28 -1.894 1.447 -5.355
198 HD13 LEU 28 3HD1 LEU 28 -1.641 0.762 -6.961
199 HD21 LEU 28 3HD2 LEU 28 -3.181 0.779 -8.558
200 HD22 LEU 28 1HD2 LEU 28 -4.095 2.272 -8.773
201 HD23 LEU 28 2HD2 LEU 28 -4.845 0.886 -7.980
202 H ASP 29 H ASP 29 -5.670 4.796 -6.342
203 HA ASP 29 HA ASP 29 -3.730 6.064 -7.766
204 HB2 ASP 29 1HB ASP 29 -6.265 6.346 -7.923
205 HB3 ASP 29 2HB ASP 29 -6.098 7.576 -6.673
206 H PHE 30 H PHE 30 -4.709 6.744 -4.462
207 HA PHE 30 HA PHE 30 -3.042 9.087 -4.253
208 HB2 PHE 30 1HB PHE 30 -5.244 8.509 -2.955
209 HB3 PHE 30 2HB PHE 30 -4.157 7.640 -1.877
210 HD1 PHE 30 HD1 PHE 30 -2.164 8.964 -0.925
211 HD2 PHE 30 HD2 PHE 30 -5.598 10.777 -2.670
212 HE1 PHE 30 HE1 PHE 30 -1.648 11.064 0.248
213 HE2 PHE 30 HE2 PHE 30 -5.086 12.880 -1.500
214 HZ PHE 30 HZ PHE 30 -3.108 13.026 -0.040
215 H HIS 31 H HIS 31 -2.739 5.688 -3.684
216 HA HIS 31 HA HIS 31 -0.557 5.759 -1.878
217 HB2 HIS 31 1HB HIS 31 -1.603 3.693 -1.908
218 HB3 HIS 31 2HB HIS 31 -1.767 3.684 -3.661
219 HD1 HIS 31 HD1 HIS 31 0.914 3.266 -1.011
220 HD2 HIS 31 HD2 HIS 31 0.147 2.251 -4.966
221 HE1 HIS 31 HE1 HIS 31 2.788 1.732 -1.687
222 H GLN 32 H GLN 32 -0.724 5.358 -5.407
223 HA GLN 32 HA GLN 32 1.883 4.949 -6.055
224 HB2 GLN 32 1HB GLN 32 -0.207 6.635 -7.413
225 HB3 GLN 32 2HB GLN 32 1.391 6.412 -8.112
226 HG2 GLN 32 1HG GLN 32 1.055 4.138 -8.466
227 HG3 GLN 32 2HG GLN 32 -0.290 4.065 -7.328
228 HE21 GLN 32 1HE2 GLN 32 -1.950 3.415 -8.529
229 HE22 GLN 32 2HE2 GLN 32 -2.501 4.187 -9.973
230 H ARG 33 H ARG 33 0.525 7.794 -4.658
231 HA ARG 33 HA ARG 33 2.343 9.751 -5.416
232 HB2 ARG 33 1HB ARG 33 0.832 9.360 -2.834
233 HB3 ARG 33 2HB ARG 33 1.793 10.794 -3.171
234 HG2 ARG 33 1HG ARG 33 0.373 11.062 -5.263
235 HG3 ARG 33 2HG ARG 33 -0.698 9.854 -4.550
236 HD2 ARG 33 1HD ARG 33 -0.591 11.411 -2.459
237 HD3 ARG 33 2HD ARG 33 -0.081 12.628 -3.628
238 HE ARG 33 HE ARG 33 -2.715 11.566 -3.286
239 HH11 ARG 33 1HH1 ARG 33 -0.504 12.959 -5.585
240 HH12 ARG 33 2HH1 ARG 33 -1.756 13.568 -6.617
241 HH21 ARG 33 1HH2 ARG 33 -4.372 12.363 -4.635
242 HH22 ARG 33 2HH2 ARG 33 -3.955 13.230 -6.075
243 H VAL 34 H VAL 34 2.561 7.350 -2.829
244 HA VAL 34 HA VAL 34 4.903 8.278 -1.610
245 HB VAL 34 HB VAL 34 5.137 6.088 -0.638
246 HG11 VAL 34 1HG1 VAL 34 2.813 7.636 -0.506
247 HG12 VAL 34 2HG1 VAL 34 2.262 5.962 -0.586
248 HG13 VAL 34 3HG1 VAL 34 3.385 6.462 0.679
249 HG21 VAL 34 3HG2 VAL 34 4.511 4.166 -1.603
250 HG22 VAL 34 1HG2 VAL 34 2.928 4.800 -2.051
251 HG23 VAL 34 2HG2 VAL 34 4.329 5.127 -3.071
252 H HIS 35 H HIS 35 4.408 6.646 -4.605
253 HA HIS 35 HA HIS 35 7.156 5.754 -4.836
254 HB2 HIS 35 1HB HIS 35 4.776 5.640 -6.685
255 HB3 HIS 35 2HB HIS 35 6.386 5.139 -7.193
256 HD1 HIS 35 HD1 HIS 35 7.449 3.133 -5.702
257 HD2 HIS 35 HD2 HIS 35 3.344 3.707 -5.416
258 HE1 HIS 35 HE1 HIS 35 6.539 1.004 -4.722
259 H THR 36 H THR 36 5.122 8.362 -6.001
260 HA THR 36 HA THR 36 7.297 9.414 -7.649
261 HB THR 36 HB THR 36 5.201 9.490 -8.770
262 HG1 THR 36 HG1 THR 36 6.457 11.410 -8.973
263 HG21 THR 36 3HG2 THR 36 3.354 9.444 -7.507
264 HG22 THR 36 1HG2 THR 36 3.521 11.195 -7.385
265 HG23 THR 36 2HG2 THR 36 4.187 10.155 -6.125
266 H GLY 37 H GLY 37 8.757 10.185 -6.130
267 HA2 GLY 37 1HA GLY 37 8.050 12.746 -4.967
268 HA3 GLY 37 2HA GLY 37 8.454 11.493 -3.803
269 H GLU 38 H GLU 38 10.578 10.756 -3.641
270 HA GLU 38 HA GLU 38 12.551 12.584 -4.806
271 HB2 GLU 38 1HB GLU 38 14.021 11.955 -3.027
272 HB3 GLU 38 2HB GLU 38 12.446 12.289 -2.320
273 HG2 GLU 38 1HG GLU 38 12.950 10.367 -1.228
274 HG3 GLU 38 2HG GLU 38 12.137 9.692 -2.638
275 H LYS 39 H LYS 39 11.642 9.215 -4.632
276 HA LYS 39 HA LYS 39 14.025 8.214 -5.863
277 HB2 LYS 39 1HB LYS 39 12.171 7.013 -4.396
278 HB3 LYS 39 2HB LYS 39 11.456 6.701 -5.972
279 HG2 LYS 39 1HG LYS 39 12.724 4.819 -5.677
280 HG3 LYS 39 2HG LYS 39 13.849 5.847 -6.568
281 HD2 LYS 39 1HD LYS 39 13.856 5.991 -3.596
282 HD3 LYS 39 2HD LYS 39 14.579 4.577 -4.366
283 HE2 LYS 39 1HE LYS 39 15.777 6.376 -5.844
284 HE3 LYS 39 2HE LYS 39 15.402 7.444 -4.493
285 HZ1 LYS 39 3HZ LYS 39 16.440 5.177 -3.347
286 HZ2 LYS 39 1HZ LYS 39 17.229 6.662 -3.538
287 HZ3 LYS 39 2HZ LYS 39 17.418 5.448 -4.700
288 H LEU 40 H LEU 40 14.487 7.943 -7.967
289 HA LEU 40 HA LEU 40 13.066 9.317 -9.950
290 HB2 LEU 40 1HB LEU 40 14.543 8.203 -11.541
291 HB3 LEU 40 2HB LEU 40 15.430 8.822 -10.149
292 HG LEU 40 HG LEU 40 15.203 6.378 -9.266
293 HD11 LEU 40 1HD1 LEU 40 14.203 4.939 -10.623
294 HD12 LEU 40 2HD1 LEU 40 15.501 5.187 -11.790
295 HD13 LEU 40 3HD1 LEU 40 14.039 6.170 -11.875
296 HD21 LEU 40 3HD2 LEU 40 17.362 6.009 -9.940
297 HD22 LEU 40 1HD2 LEU 40 17.232 7.746 -10.219
298 HD23 LEU 40 2HD2 LEU 40 17.077 6.622 -11.569
299 H SER 41 H SER 41 11.672 8.670 -11.559
300 HA SER 41 HA SER 41 9.997 6.431 -10.951
301 HB2 SER 41 1HB SER 41 8.715 7.134 -12.939
302 HB3 SER 41 2HB SER 41 9.053 8.497 -11.872
303 HG SER 41 HG SER 41 9.548 9.174 -13.907
304 H GLY 42 H GLY 42 9.394 4.794 -12.601
305 HA2 GLY 42 1HA GLY 42 11.746 3.996 -14.204
306 HA3 GLY 42 2HA GLY 42 10.806 2.840 -13.271
307 HA PRO 43 HA PRO 43 7.909 4.239 -16.877
308 HB2 PRO 43 1HB PRO 43 8.992 5.861 -18.766
309 HB3 PRO 43 2HB PRO 43 8.176 6.477 -17.324
310 HG2 PRO 43 1HG PRO 43 11.105 6.156 -17.851
311 HG3 PRO 43 2HG PRO 43 10.247 7.508 -17.089
312 HD2 PRO 43 1HD PRO 43 11.567 5.628 -15.656
313 HD3 PRO 43 2HD PRO 43 10.105 6.436 -15.054
314 H SER 44 H SER 44 8.162 2.091 -17.491
315 HA SER 44 HA SER 44 9.991 1.646 -19.757
316 HB2 SER 44 1HB SER 44 10.349 -0.642 -19.004
317 HB3 SER 44 2HB SER 44 10.779 0.477 -17.711
318 HG SER 44 HG SER 44 8.325 0.023 -17.229
319 H SER 45 H SER 45 6.830 1.636 -18.608
320 HA SER 45 HA SER 45 5.936 -0.082 -20.830
321 HB2 SER 45 1HB SER 45 4.916 0.304 -18.058
322 HB3 SER 45 2HB SER 45 3.728 0.022 -19.330
323 HG SER 45 HG SER 45 5.997 -1.630 -18.972
324 H GLY 46 H GLY 46 4.930 2.753 -18.910
325 HA2 GLY 46 1HA GLY 46 4.538 4.850 -20.123
326 HA3 GLY 46 2HA GLY 46 3.810 3.886 -21.399
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 12.656 -6.327 11.872
2 HA2 GLY 1 1HA GLY 1 11.325 -6.253 9.758
3 HA3 GLY 1 2HA GLY 1 12.702 -7.043 9.004
4 H SER 2 H SER 2 9.730 -7.504 10.488
5 HA SER 2 HA SER 2 10.241 -10.395 10.679
6 HB2 SER 2 1HB SER 2 10.115 -9.704 12.953
7 HB3 SER 2 2HB SER 2 8.741 -8.647 12.632
8 HG SER 2 HG SER 2 8.446 -10.906 13.598
9 H SER 3 H SER 3 9.302 -10.883 8.731
10 HA SER 3 HA SER 3 6.429 -10.266 8.490
11 HB2 SER 3 1HB SER 3 8.625 -10.201 6.473
12 HB3 SER 3 2HB SER 3 7.030 -10.729 5.937
13 HG SER 3 HG SER 3 7.363 -8.360 7.432
14 H GLY 4 H GLY 4 5.064 -11.894 7.698
15 HA2 GLY 4 1HA GLY 4 5.840 -14.396 6.744
16 HA3 GLY 4 2HA GLY 4 5.734 -14.525 8.493
17 H SER 5 H SER 5 3.961 -14.056 5.530
18 HA SER 5 HA SER 5 1.519 -14.874 6.909
19 HB2 SER 5 1HB SER 5 1.642 -12.448 5.101
20 HB3 SER 5 2HB SER 5 0.185 -13.119 5.833
21 HG SER 5 HG SER 5 0.897 -11.432 7.108
22 H SER 6 H SER 6 -0.102 -15.737 5.496
23 HA SER 6 HA SER 6 0.931 -16.504 2.845
24 HB2 SER 6 1HB SER 6 0.842 -18.318 4.704
25 HB3 SER 6 2HB SER 6 -0.900 -18.285 4.431
26 HG SER 6 HG SER 6 1.116 -19.301 2.857
27 H GLY 7 H GLY 7 -0.229 -14.797 1.869
28 HA2 GLY 7 1HA GLY 7 -2.229 -14.799 0.407
29 HA3 GLY 7 2HA GLY 7 -3.155 -15.217 1.841
30 H SER 8 H SER 8 -2.019 -12.709 -0.111
31 HA SER 8 HA SER 8 -2.483 -10.687 1.964
32 HB2 SER 8 1HB SER 8 -0.379 -10.565 0.615
33 HB3 SER 8 2HB SER 8 -1.365 -10.295 -0.822
34 HG SER 8 HG SER 8 -0.704 -8.317 0.021
35 H GLY 9 H GLY 9 -4.729 -12.064 1.033
36 HA2 GLY 9 1HA GLY 9 -6.856 -11.667 0.267
37 HA3 GLY 9 2HA GLY 9 -6.464 -9.959 0.396
38 H GLU 10 H GLU 10 -8.034 -10.128 -1.527
39 HA GLU 10 HA GLU 10 -6.398 -10.098 -3.950
40 HB2 GLU 10 1HB GLU 10 -9.059 -11.522 -3.768
41 HB3 GLU 10 2HB GLU 10 -8.096 -11.317 -5.225
42 HG2 GLU 10 1HG GLU 10 -7.036 -12.738 -2.808
43 HG3 GLU 10 2HG GLU 10 -7.980 -13.564 -4.046
44 H LYS 11 H LYS 11 -6.739 -8.315 -5.100
45 HA LYS 11 HA LYS 11 -9.344 -6.976 -4.931
46 HB2 LYS 11 1HB LYS 11 -6.648 -5.773 -4.363
47 HB3 LYS 11 2HB LYS 11 -7.982 -4.777 -4.930
48 HG2 LYS 11 1HG LYS 11 -9.131 -4.953 -2.976
49 HG3 LYS 11 2HG LYS 11 -8.479 -6.552 -2.607
50 HD2 LYS 11 1HD LYS 11 -6.724 -4.119 -2.582
51 HD3 LYS 11 2HD LYS 11 -7.709 -4.546 -1.181
52 HE2 LYS 11 1HE LYS 11 -6.620 -6.902 -1.514
53 HE3 LYS 11 2HE LYS 11 -5.393 -5.992 -2.393
54 HZ1 LYS 11 3HZ LYS 11 -6.207 -5.611 0.436
55 HZ2 LYS 11 1HZ LYS 11 -5.156 -4.577 -0.394
56 HZ3 LYS 11 2HZ LYS 11 -4.721 -6.190 -0.128
57 HA PRO 12 HA PRO 12 -8.994 -6.547 -9.287
58 HB2 PRO 12 1HB PRO 12 -10.394 -4.257 -9.694
59 HB3 PRO 12 2HB PRO 12 -11.163 -5.789 -9.263
60 HG2 PRO 12 1HG PRO 12 -10.468 -3.461 -7.515
61 HG3 PRO 12 2HG PRO 12 -11.944 -4.443 -7.535
62 HD2 PRO 12 1HD PRO 12 -9.977 -4.806 -5.710
63 HD3 PRO 12 2HD PRO 12 -10.980 -6.142 -6.311
64 H TYR 13 H TYR 13 -8.551 -3.422 -7.617
65 HA TYR 13 HA TYR 13 -6.729 -2.515 -9.679
66 HB2 TYR 13 1HB TYR 13 -7.409 -1.126 -7.085
67 HB3 TYR 13 2HB TYR 13 -6.746 -0.404 -8.547
68 HD1 TYR 13 HD1 TYR 13 -8.173 -0.014 -10.500
69 HD2 TYR 13 HD2 TYR 13 -9.765 -1.606 -6.889
70 HE1 TYR 13 HE1 TYR 13 -10.447 0.506 -11.280
71 HE2 TYR 13 HE2 TYR 13 -12.043 -1.092 -7.660
72 HH TYR 13 HH TYR 13 -12.869 0.939 -9.730
73 H LYS 14 H LYS 14 -4.553 -2.331 -9.522
74 HA LYS 14 HA LYS 14 -3.241 -2.868 -6.970
75 HB2 LYS 14 1HB LYS 14 -2.627 -4.434 -9.484
76 HB3 LYS 14 2HB LYS 14 -1.757 -4.553 -7.960
77 HG2 LYS 14 1HG LYS 14 -3.129 -6.354 -7.765
78 HG3 LYS 14 2HG LYS 14 -4.156 -5.121 -7.028
79 HD2 LYS 14 1HD LYS 14 -5.618 -6.149 -8.494
80 HD3 LYS 14 2HD LYS 14 -5.035 -4.789 -9.457
81 HE2 LYS 14 1HE LYS 14 -4.781 -6.478 -10.974
82 HE3 LYS 14 2HE LYS 14 -3.204 -6.542 -10.188
83 HZ1 LYS 14 3HZ LYS 14 -5.536 -8.280 -9.584
84 HZ2 LYS 14 1HZ LYS 14 -4.061 -8.315 -8.755
85 HZ3 LYS 14 2HZ LYS 14 -4.123 -8.744 -10.390
86 H CYS 15 H CYS 15 -1.092 -2.117 -6.851
87 HA CYS 15 HA CYS 15 -0.560 0.170 -8.469
88 HB2 CYS 15 1HB CYS 15 0.063 -0.099 -6.035
89 HB3 CYS 15 2HB CYS 15 1.345 -1.187 -6.556
90 H VAL 16 H VAL 16 1.377 0.539 -9.722
91 HA VAL 16 HA VAL 16 2.208 -1.883 -11.165
92 HB VAL 16 HB VAL 16 1.116 -0.030 -12.459
93 HG11 VAL 16 1HG1 VAL 16 1.945 1.918 -11.405
94 HG12 VAL 16 2HG1 VAL 16 3.621 1.418 -11.635
95 HG13 VAL 16 3HG1 VAL 16 2.645 1.901 -13.023
96 HG21 VAL 16 3HG2 VAL 16 2.904 -0.009 -14.256
97 HG22 VAL 16 1HG2 VAL 16 3.909 -0.920 -13.128
98 HG23 VAL 16 2HG2 VAL 16 2.382 -1.597 -13.693
99 H GLU 17 H GLU 17 3.323 0.532 -9.035
100 HA GLU 17 HA GLU 17 6.098 0.381 -9.811
101 HB2 GLU 17 1HB GLU 17 4.639 1.699 -7.530
102 HB3 GLU 17 2HB GLU 17 6.395 1.663 -7.607
103 HG2 GLU 17 1HG GLU 17 4.564 2.873 -9.667
104 HG3 GLU 17 2HG GLU 17 5.507 3.756 -8.467
105 H CYS 18 H CYS 18 4.120 -0.779 -7.099
106 HA CYS 18 HA CYS 18 6.323 -2.595 -6.369
107 HB2 CYS 18 1HB CYS 18 5.179 -2.702 -4.125
108 HB3 CYS 18 2HB CYS 18 5.863 -1.133 -4.535
109 H GLY 19 H GLY 19 2.830 -2.337 -6.843
110 HA2 GLY 19 1HA GLY 19 1.690 -4.124 -8.019
111 HA3 GLY 19 2HA GLY 19 2.769 -5.261 -7.225
112 H LYS 20 H LYS 20 1.582 -2.723 -5.262
113 HA LYS 20 HA LYS 20 0.372 -4.433 -3.411
114 HB2 LYS 20 1HB LYS 20 1.110 -1.836 -3.377
115 HB3 LYS 20 2HB LYS 20 -0.632 -1.650 -3.538
116 HG2 LYS 20 1HG LYS 20 -0.508 -1.689 -1.283
117 HG3 LYS 20 2HG LYS 20 -0.605 -3.429 -1.561
118 HD2 LYS 20 1HD LYS 20 2.074 -2.121 -1.536
119 HD3 LYS 20 2HD LYS 20 1.251 -2.407 -0.001
120 HE2 LYS 20 1HE LYS 20 0.918 -4.812 -0.952
121 HE3 LYS 20 2HE LYS 20 2.254 -4.375 -2.016
122 HZ1 LYS 20 3HZ LYS 20 2.483 -3.981 0.895
123 HZ2 LYS 20 1HZ LYS 20 3.709 -4.188 -0.252
124 HZ3 LYS 20 2HZ LYS 20 2.761 -5.507 0.220
125 H GLY 21 H GLY 21 -2.026 -3.901 -2.675
126 HA2 GLY 21 1HA GLY 21 -3.771 -3.930 -5.049
127 HA3 GLY 21 2HA GLY 21 -3.905 -5.200 -3.843
128 H TYR 22 H TYR 22 -5.606 -2.797 -4.861
129 HA TYR 22 HA TYR 22 -6.516 -2.031 -2.176
130 HB2 TYR 22 1HB TYR 22 -5.985 -0.184 -4.501
131 HB3 TYR 22 2HB TYR 22 -7.026 0.267 -3.155
132 HD1 TYR 22 HD2 TYR 22 -3.566 -0.799 -3.992
133 HD2 TYR 22 HD1 TYR 22 -6.109 1.120 -1.171
134 HE1 TYR 22 HE2 TYR 22 -1.593 -0.063 -2.723
135 HE2 TYR 22 HE1 TYR 22 -4.142 1.861 0.106
136 HH TYR 22 HH TYR 22 -1.489 0.752 0.209
137 H LYS 23 H LYS 23 -8.664 -2.136 -1.892
138 HA LYS 23 HA LYS 23 -10.325 -3.462 -3.673
139 HB2 LYS 23 1HB LYS 23 -12.202 -2.604 -2.261
140 HB3 LYS 23 2HB LYS 23 -10.900 -3.354 -1.347
141 HG2 LYS 23 1HG LYS 23 -10.048 -0.848 -1.223
142 HG3 LYS 23 2HG LYS 23 -11.769 -0.523 -1.444
143 HD2 LYS 23 1HD LYS 23 -10.927 -2.539 0.587
144 HD3 LYS 23 2HD LYS 23 -10.748 -0.823 0.960
145 HE2 LYS 23 1HE LYS 23 -13.062 -0.432 0.741
146 HE3 LYS 23 2HE LYS 23 -13.328 -1.981 -0.057
147 HZ1 LYS 23 3HZ LYS 23 -13.924 -1.687 2.434
148 HZ2 LYS 23 1HZ LYS 23 -12.269 -1.935 2.685
149 HZ3 LYS 23 2HZ LYS 23 -13.195 -3.121 1.913
150 H ARG 24 H ARG 24 -9.871 0.009 -3.184
151 HA ARG 24 HA ARG 24 -11.520 0.491 -5.578
152 HB2 ARG 24 1HB ARG 24 -11.735 2.842 -4.636
153 HB3 ARG 24 2HB ARG 24 -12.589 1.573 -3.768
154 HG2 ARG 24 1HG ARG 24 -10.783 1.491 -2.119
155 HG3 ARG 24 2HG ARG 24 -9.943 2.778 -2.985
156 HD2 ARG 24 1HD ARG 24 -11.036 3.967 -1.343
157 HD3 ARG 24 2HD ARG 24 -12.187 4.067 -2.675
158 HE ARG 24 HE ARG 24 -13.063 1.903 -1.385
159 HH11 ARG 24 1HH1 ARG 24 -12.116 5.039 -0.208
160 HH12 ARG 24 2HH1 ARG 24 -13.198 5.002 1.145
161 HH21 ARG 24 1HH2 ARG 24 -14.491 1.842 0.392
162 HH22 ARG 24 2HH2 ARG 24 -14.548 3.182 1.485
163 H ARG 25 H ARG 25 -10.830 2.186 -7.013
164 HA ARG 25 HA ARG 25 -7.992 2.153 -7.434
165 HB2 ARG 25 1HB ARG 25 -9.853 2.160 -9.215
166 HB3 ARG 25 2HB ARG 25 -9.948 3.891 -8.920
167 HG2 ARG 25 1HG ARG 25 -7.721 4.227 -9.664
168 HG3 ARG 25 2HG ARG 25 -7.403 2.492 -9.693
169 HD2 ARG 25 1HD ARG 25 -7.752 3.160 -11.941
170 HD3 ARG 25 2HD ARG 25 -9.205 2.300 -11.435
171 HE ARG 25 HE ARG 25 -9.837 4.868 -10.930
172 HH11 ARG 25 1HH1 ARG 25 -8.536 3.265 -13.733
173 HH12 ARG 25 2HH1 ARG 25 -9.262 4.363 -14.860
174 HH21 ARG 25 1HH2 ARG 25 -10.797 6.321 -12.403
175 HH22 ARG 25 2HH2 ARG 25 -10.547 6.102 -14.102
176 H LEU 26 H LEU 26 -10.289 4.341 -6.025
177 HA LEU 26 HA LEU 26 -8.824 6.734 -6.205
178 HB2 LEU 26 1HB LEU 26 -11.269 6.288 -5.466
179 HB3 LEU 26 2HB LEU 26 -10.569 6.084 -3.862
180 HG LEU 26 HG LEU 26 -11.350 8.301 -3.948
181 HD11 LEU 26 1HD1 LEU 26 -9.459 9.487 -3.391
182 HD12 LEU 26 2HD1 LEU 26 -8.496 8.769 -4.682
183 HD13 LEU 26 3HD1 LEU 26 -8.885 7.826 -3.243
184 HD21 LEU 26 3HD2 LEU 26 -10.035 8.444 -6.653
185 HD22 LEU 26 1HD2 LEU 26 -10.614 9.861 -5.777
186 HD23 LEU 26 2HD2 LEU 26 -11.750 8.605 -6.269
187 H ASP 27 H ASP 27 -8.921 4.231 -3.693
188 HA ASP 27 HA ASP 27 -7.191 5.480 -1.872
189 HB2 ASP 27 1HB ASP 27 -7.921 2.602 -2.365
190 HB3 ASP 27 2HB ASP 27 -6.755 3.051 -1.123
191 H LEU 28 H LEU 28 -6.491 3.010 -4.344
192 HA LEU 28 HA LEU 28 -3.722 2.908 -3.924
193 HB2 LEU 28 1HB LEU 28 -4.653 1.156 -5.156
194 HB3 LEU 28 2HB LEU 28 -5.482 2.253 -6.259
195 HG LEU 28 HG LEU 28 -2.963 2.883 -6.875
196 HD11 LEU 28 1HD1 LEU 28 -1.898 0.462 -7.013
197 HD12 LEU 28 2HD1 LEU 28 -2.842 0.236 -5.541
198 HD13 LEU 28 3HD1 LEU 28 -1.637 1.521 -5.626
199 HD21 LEU 28 3HD2 LEU 28 -4.184 2.283 -8.687
200 HD22 LEU 28 1HD2 LEU 28 -4.878 0.870 -7.892
201 HD23 LEU 28 2HD2 LEU 28 -3.235 0.804 -8.531
202 H ASP 29 H ASP 29 -5.609 4.764 -6.302
203 HA ASP 29 HA ASP 29 -3.655 6.006 -7.726
204 HB2 ASP 29 1HB ASP 29 -6.079 6.342 -8.086
205 HB3 ASP 29 2HB ASP 29 -6.138 7.361 -6.650
206 H PHE 30 H PHE 30 -4.632 6.713 -4.431
207 HA PHE 30 HA PHE 30 -2.941 9.050 -4.249
208 HB2 PHE 30 1HB PHE 30 -5.187 8.412 -2.949
209 HB3 PHE 30 2HB PHE 30 -4.027 7.747 -1.804
210 HD1 PHE 30 HD1 PHE 30 -1.999 9.405 -1.283
211 HD2 PHE 30 HD2 PHE 30 -5.866 10.572 -2.626
212 HE1 PHE 30 HE1 PHE 30 -1.647 11.649 -0.337
213 HE2 PHE 30 HE2 PHE 30 -5.519 12.818 -1.683
214 HZ PHE 30 HZ PHE 30 -3.407 13.359 -0.537
215 H HIS 31 H HIS 31 -2.719 5.658 -3.594
216 HA HIS 31 HA HIS 31 -0.595 5.693 -1.738
217 HB2 HIS 31 1HB HIS 31 -1.584 3.620 -1.812
218 HB3 HIS 31 2HB HIS 31 -1.796 3.664 -3.559
219 HD1 HIS 31 HD1 HIS 31 0.895 3.065 -0.969
220 HD2 HIS 31 HD2 HIS 31 0.131 2.350 -4.990
221 HE1 HIS 31 HE1 HIS 31 2.756 1.565 -1.751
222 H GLN 32 H GLN 32 -0.630 5.403 -5.277
223 HA GLN 32 HA GLN 32 2.036 4.999 -5.783
224 HB2 GLN 32 1HB GLN 32 -0.030 6.591 -7.286
225 HB3 GLN 32 2HB GLN 32 1.604 6.383 -7.901
226 HG2 GLN 32 1HG GLN 32 1.333 4.035 -8.077
227 HG3 GLN 32 2HG GLN 32 -0.182 4.079 -7.177
228 HE21 GLN 32 1HE2 GLN 32 -1.772 3.580 -8.498
229 HE22 GLN 32 2HE2 GLN 32 -1.999 4.192 -10.097
230 H ARG 33 H ARG 33 0.487 7.869 -4.610
231 HA ARG 33 HA ARG 33 2.161 9.907 -5.290
232 HB2 ARG 33 1HB ARG 33 1.029 9.416 -2.529
233 HB3 ARG 33 2HB ARG 33 1.596 10.961 -3.148
234 HG2 ARG 33 1HG ARG 33 -0.520 9.551 -4.675
235 HG3 ARG 33 2HG ARG 33 -0.961 10.304 -3.141
236 HD2 ARG 33 1HD ARG 33 -0.426 12.436 -3.890
237 HD3 ARG 33 2HD ARG 33 0.611 11.828 -5.180
238 HE ARG 33 HE ARG 33 -1.888 10.933 -5.824
239 HH11 ARG 33 1HH1 ARG 33 -0.468 14.045 -5.177
240 HH12 ARG 33 2HH1 ARG 33 -1.553 14.902 -6.221
241 HH21 ARG 33 1HH2 ARG 33 -3.322 12.050 -7.202
242 HH22 ARG 33 2HH2 ARG 33 -3.176 13.767 -7.372
243 H VAL 34 H VAL 34 2.758 7.373 -2.923
244 HA VAL 34 HA VAL 34 5.097 8.464 -1.784
245 HB VAL 34 HB VAL 34 5.578 6.198 -0.988
246 HG11 VAL 34 1HG1 VAL 34 3.633 5.907 0.375
247 HG12 VAL 34 2HG1 VAL 34 3.867 7.637 0.120
248 HG13 VAL 34 3HG1 VAL 34 2.626 6.770 -0.787
249 HG21 VAL 34 3HG2 VAL 34 3.760 5.485 -3.182
250 HG22 VAL 34 1HG2 VAL 34 5.081 4.569 -2.456
251 HG23 VAL 34 2HG2 VAL 34 3.498 4.598 -1.681
252 H HIS 35 H HIS 35 4.540 6.456 -4.618
253 HA HIS 35 HA HIS 35 7.300 5.910 -5.110
254 HB2 HIS 35 1HB HIS 35 4.851 5.698 -6.868
255 HB3 HIS 35 2HB HIS 35 6.459 5.189 -7.373
256 HD1 HIS 35 HD1 HIS 35 7.543 3.449 -5.370
257 HD2 HIS 35 HD2 HIS 35 3.437 3.586 -5.989
258 HE1 HIS 35 HE1 HIS 35 6.649 1.293 -4.433
259 H THR 36 H THR 36 5.006 8.344 -6.207
260 HA THR 36 HA THR 36 6.724 9.478 -8.181
261 HB THR 36 HB THR 36 5.134 11.423 -8.090
262 HG1 THR 36 HG1 THR 36 4.276 11.441 -6.092
263 HG21 THR 36 3HG2 THR 36 3.587 10.341 -9.385
264 HG22 THR 36 1HG2 THR 36 3.454 8.974 -8.280
265 HG23 THR 36 2HG2 THR 36 4.848 9.109 -9.352
266 H GLY 37 H GLY 37 8.713 9.934 -7.243
267 HA2 GLY 37 1HA GLY 37 9.218 12.446 -6.292
268 HA3 GLY 37 2HA GLY 37 8.929 11.496 -4.842
269 H GLU 38 H GLU 38 10.079 9.065 -5.694
270 HA GLU 38 HA GLU 38 12.591 9.094 -4.811
271 HB2 GLU 38 1HB GLU 38 11.510 7.516 -7.141
272 HB3 GLU 38 2HB GLU 38 13.107 7.228 -6.465
273 HG2 GLU 38 1HG GLU 38 12.164 6.632 -4.341
274 HG3 GLU 38 2HG GLU 38 10.549 7.076 -4.890
275 H LYS 39 H LYS 39 14.498 9.963 -5.307
276 HA LYS 39 HA LYS 39 14.772 11.789 -7.448
277 HB2 LYS 39 1HB LYS 39 16.716 10.589 -5.490
278 HB3 LYS 39 2HB LYS 39 17.254 11.677 -6.763
279 HG2 LYS 39 1HG LYS 39 16.946 13.199 -5.119
280 HG3 LYS 39 2HG LYS 39 15.304 13.181 -5.767
281 HD2 LYS 39 1HD LYS 39 14.851 11.335 -4.047
282 HD3 LYS 39 2HD LYS 39 16.364 11.844 -3.294
283 HE2 LYS 39 1HE LYS 39 15.413 14.180 -3.247
284 HE3 LYS 39 2HE LYS 39 13.869 13.474 -3.722
285 HZ1 LYS 39 3HZ LYS 39 14.457 11.936 -1.656
286 HZ2 LYS 39 1HZ LYS 39 13.605 13.389 -1.497
287 HZ3 LYS 39 2HZ LYS 39 15.264 13.341 -1.171
288 H LEU 40 H LEU 40 16.558 11.685 -9.071
289 HA LEU 40 HA LEU 40 17.048 10.688 -11.106
290 HB2 LEU 40 1HB LEU 40 18.763 8.862 -10.721
291 HB3 LEU 40 2HB LEU 40 19.094 10.436 -10.001
292 HG LEU 40 HG LEU 40 18.021 9.355 -7.871
293 HD11 LEU 40 1HD1 LEU 40 17.254 7.300 -8.726
294 HD12 LEU 40 2HD1 LEU 40 18.696 6.915 -7.788
295 HD13 LEU 40 3HD1 LEU 40 18.781 6.980 -9.548
296 HD21 LEU 40 3HD2 LEU 40 20.611 9.783 -8.783
297 HD22 LEU 40 1HD2 LEU 40 20.625 8.133 -8.158
298 HD23 LEU 40 2HD2 LEU 40 20.112 9.465 -7.121
299 H SER 41 H SER 41 14.504 9.826 -10.283
300 HA SER 41 HA SER 41 13.902 7.207 -10.050
301 HB2 SER 41 1HB SER 41 11.812 7.645 -11.040
302 HB3 SER 41 2HB SER 41 12.328 9.216 -10.427
303 HG SER 41 HG SER 41 12.487 9.938 -12.405
304 H GLY 42 H GLY 42 13.712 5.396 -11.354
305 HA2 GLY 42 1HA GLY 42 14.553 5.554 -14.139
306 HA3 GLY 42 2HA GLY 42 15.605 4.641 -13.067
307 HA PRO 43 HA PRO 43 11.321 2.353 -13.424
308 HB2 PRO 43 1HB PRO 43 9.944 2.929 -15.692
309 HB3 PRO 43 2HB PRO 43 9.697 3.796 -14.171
310 HG2 PRO 43 1HG PRO 43 11.315 4.587 -16.563
311 HG3 PRO 43 2HG PRO 43 10.225 5.576 -15.572
312 HD2 PRO 43 1HD PRO 43 12.917 5.639 -15.283
313 HD3 PRO 43 2HD PRO 43 11.804 5.888 -13.922
314 H SER 44 H SER 44 12.561 0.553 -13.806
315 HA SER 44 HA SER 44 13.075 -0.101 -16.634
316 HB2 SER 44 1HB SER 44 15.075 0.295 -14.970
317 HB3 SER 44 2HB SER 44 14.686 -1.338 -14.432
318 HG SER 44 HG SER 44 16.157 -0.707 -16.467
319 H SER 45 H SER 45 12.341 -1.423 -13.428
320 HA SER 45 HA SER 45 11.841 -4.065 -14.240
321 HB2 SER 45 1HB SER 45 10.747 -2.497 -11.894
322 HB3 SER 45 2HB SER 45 10.554 -4.238 -12.100
323 HG SER 45 HG SER 45 13.050 -3.982 -12.377
324 H GLY 46 H GLY 46 10.572 -4.173 -16.069
325 HA2 GLY 46 1HA GLY 46 8.656 -4.162 -17.338
326 HA3 GLY 46 2HA GLY 46 7.836 -4.428 -15.807
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 14.985 -23.901 -3.975
2 HA2 GLY 1 1HA GLY 1 14.488 -25.401 -1.562
3 HA3 GLY 1 2HA GLY 1 15.966 -24.451 -1.504
4 H SER 2 H SER 2 15.632 -22.097 -2.250
5 HA SER 2 HA SER 2 14.107 -20.737 -0.442
6 HB2 SER 2 1HB SER 2 15.737 -19.521 -1.675
7 HB3 SER 2 2HB SER 2 14.984 -19.929 -3.216
8 HG SER 2 HG SER 2 13.297 -18.636 -1.493
9 H SER 3 H SER 3 12.014 -20.360 -0.132
10 HA SER 3 HA SER 3 10.169 -20.688 -2.402
11 HB2 SER 3 1HB SER 3 9.663 -21.640 0.428
12 HB3 SER 3 2HB SER 3 8.558 -21.794 -0.938
13 HG SER 3 HG SER 3 10.189 -23.589 -0.247
14 H GLY 4 H GLY 4 9.593 -18.624 -2.783
15 HA2 GLY 4 1HA GLY 4 9.347 -16.628 -0.785
16 HA3 GLY 4 2HA GLY 4 8.760 -16.510 -2.437
17 H SER 5 H SER 5 6.750 -15.722 -2.180
18 HA SER 5 HA SER 5 4.766 -17.464 -1.004
19 HB2 SER 5 1HB SER 5 5.755 -15.789 0.785
20 HB3 SER 5 2HB SER 5 4.675 -14.644 -0.010
21 HG SER 5 HG SER 5 3.468 -15.572 1.562
22 H SER 6 H SER 6 2.665 -17.042 -1.725
23 HA SER 6 HA SER 6 2.475 -15.017 -3.859
24 HB2 SER 6 1HB SER 6 1.215 -17.766 -3.735
25 HB3 SER 6 2HB SER 6 0.847 -16.557 -4.965
26 HG SER 6 HG SER 6 2.429 -17.689 -5.892
27 H GLY 7 H GLY 7 0.589 -13.825 -4.027
28 HA2 GLY 7 1HA GLY 7 -0.782 -13.229 -1.660
29 HA3 GLY 7 2HA GLY 7 -1.289 -12.745 -3.272
30 H SER 8 H SER 8 -2.708 -13.820 -0.797
31 HA SER 8 HA SER 8 -3.893 -16.267 -1.848
32 HB2 SER 8 1HB SER 8 -3.266 -15.721 0.658
33 HB3 SER 8 2HB SER 8 -4.852 -14.950 0.662
34 HG SER 8 HG SER 8 -4.674 -17.295 1.238
35 H GLY 9 H GLY 9 -4.879 -12.981 -0.928
36 HA2 GLY 9 1HA GLY 9 -7.522 -13.434 -2.098
37 HA3 GLY 9 2HA GLY 9 -7.030 -12.034 -1.155
38 H GLU 10 H GLU 10 -8.424 -12.058 -3.686
39 HA GLU 10 HA GLU 10 -6.398 -10.861 -5.454
40 HB2 GLU 10 1HB GLU 10 -7.662 -12.756 -6.409
41 HB3 GLU 10 2HB GLU 10 -9.161 -11.877 -6.144
42 HG2 GLU 10 1HG GLU 10 -8.017 -10.046 -7.600
43 HG3 GLU 10 2HG GLU 10 -7.004 -11.384 -8.139
44 H LYS 11 H LYS 11 -6.752 -8.840 -6.377
45 HA LYS 11 HA LYS 11 -9.006 -7.292 -5.291
46 HB2 LYS 11 1HB LYS 11 -6.169 -6.285 -5.568
47 HB3 LYS 11 2HB LYS 11 -7.542 -5.375 -4.953
48 HG2 LYS 11 1HG LYS 11 -6.859 -7.921 -3.596
49 HG3 LYS 11 2HG LYS 11 -5.790 -6.538 -3.352
50 HD2 LYS 11 1HD LYS 11 -8.707 -6.068 -3.095
51 HD3 LYS 11 2HD LYS 11 -7.920 -6.994 -1.815
52 HE2 LYS 11 1HE LYS 11 -6.175 -5.060 -1.875
53 HE3 LYS 11 2HE LYS 11 -7.471 -4.163 -2.664
54 HZ1 LYS 11 3HZ LYS 11 -7.131 -4.710 0.074
55 HZ2 LYS 11 1HZ LYS 11 -8.573 -5.427 -0.446
56 HZ3 LYS 11 2HZ LYS 11 -8.321 -3.770 -0.675
57 HA PRO 12 HA PRO 12 -9.719 -5.940 -9.408
58 HB2 PRO 12 1HB PRO 12 -10.759 -3.472 -8.964
59 HB3 PRO 12 2HB PRO 12 -11.644 -4.963 -8.621
60 HG2 PRO 12 1HG PRO 12 -10.131 -3.184 -6.747
61 HG3 PRO 12 2HG PRO 12 -11.710 -3.961 -6.524
62 HD2 PRO 12 1HD PRO 12 -9.434 -4.950 -5.441
63 HD3 PRO 12 2HD PRO 12 -10.773 -5.991 -5.964
64 H TYR 13 H TYR 13 -8.353 -3.321 -7.400
65 HA TYR 13 HA TYR 13 -6.734 -2.493 -9.711
66 HB2 TYR 13 1HB TYR 13 -7.153 -0.874 -7.206
67 HB3 TYR 13 2HB TYR 13 -6.645 -0.316 -8.796
68 HD1 TYR 13 HD1 TYR 13 -8.282 -0.049 -10.602
69 HD2 TYR 13 HD2 TYR 13 -9.482 -1.221 -6.692
70 HE1 TYR 13 HE1 TYR 13 -10.614 0.500 -11.159
71 HE2 TYR 13 HE2 TYR 13 -11.817 -0.677 -7.239
72 HH TYR 13 HH TYR 13 -12.860 1.142 -9.245
73 H LYS 14 H LYS 14 -4.525 -2.218 -9.533
74 HA LYS 14 HA LYS 14 -3.211 -2.809 -7.005
75 HB2 LYS 14 1HB LYS 14 -2.676 -4.441 -9.495
76 HB3 LYS 14 2HB LYS 14 -1.800 -4.566 -7.975
77 HG2 LYS 14 1HG LYS 14 -3.236 -6.310 -7.736
78 HG3 LYS 14 2HG LYS 14 -4.215 -5.027 -7.019
79 HD2 LYS 14 1HD LYS 14 -5.718 -6.034 -8.459
80 HD3 LYS 14 2HD LYS 14 -5.096 -4.711 -9.448
81 HE2 LYS 14 1HE LYS 14 -3.709 -7.343 -9.554
82 HE3 LYS 14 2HE LYS 14 -5.258 -7.176 -10.380
83 HZ1 LYS 14 3HZ LYS 14 -4.029 -4.991 -11.236
84 HZ2 LYS 14 1HZ LYS 14 -3.931 -6.475 -12.042
85 HZ3 LYS 14 2HZ LYS 14 -2.680 -5.987 -11.012
86 H CYS 15 H CYS 15 -1.157 -1.958 -6.841
87 HA CYS 15 HA CYS 15 -0.525 0.197 -8.572
88 HB2 CYS 15 1HB CYS 15 0.045 0.057 -6.123
89 HB3 CYS 15 2HB CYS 15 1.302 -1.101 -6.545
90 H VAL 16 H VAL 16 1.490 0.478 -9.756
91 HA VAL 16 HA VAL 16 2.291 -2.018 -11.088
92 HB VAL 16 HB VAL 16 1.288 -0.276 -12.533
93 HG11 VAL 16 1HG1 VAL 16 2.311 1.609 -11.128
94 HG12 VAL 16 2HG1 VAL 16 3.764 1.363 -12.099
95 HG13 VAL 16 3HG1 VAL 16 2.250 1.825 -12.877
96 HG21 VAL 16 3HG2 VAL 16 3.067 -0.288 -14.250
97 HG22 VAL 16 1HG2 VAL 16 4.202 -0.875 -13.034
98 HG23 VAL 16 2HG2 VAL 16 2.824 -1.869 -13.508
99 H GLU 17 H GLU 17 3.415 0.521 -9.084
100 HA GLU 17 HA GLU 17 6.197 0.277 -9.762
101 HB2 GLU 17 1HB GLU 17 4.786 1.615 -7.450
102 HB3 GLU 17 2HB GLU 17 6.526 1.670 -7.697
103 HG2 GLU 17 1HG GLU 17 4.766 2.519 -9.930
104 HG3 GLU 17 2HG GLU 17 4.940 3.593 -8.543
105 H CYS 18 H CYS 18 4.157 -0.767 -7.047
106 HA CYS 18 HA CYS 18 6.301 -2.631 -6.261
107 HB2 CYS 18 1HB CYS 18 5.310 -2.584 -3.994
108 HB3 CYS 18 2HB CYS 18 5.857 -0.995 -4.517
109 H GLY 19 H GLY 19 2.815 -2.237 -6.694
110 HA2 GLY 19 1HA GLY 19 1.585 -4.016 -7.791
111 HA3 GLY 19 2HA GLY 19 2.621 -5.169 -6.963
112 H LYS 20 H LYS 20 1.512 -2.473 -5.142
113 HA LYS 20 HA LYS 20 0.310 -4.019 -3.157
114 HB2 LYS 20 1HB LYS 20 1.068 -1.475 -3.254
115 HB3 LYS 20 2HB LYS 20 -0.639 -1.225 -3.595
116 HG2 LYS 20 1HG LYS 20 -0.692 -1.049 -1.337
117 HG3 LYS 20 2HG LYS 20 -0.913 -2.794 -1.481
118 HD2 LYS 20 1HD LYS 20 1.849 -1.672 -1.296
119 HD3 LYS 20 2HD LYS 20 0.870 -1.814 0.167
120 HE2 LYS 20 1HE LYS 20 0.500 -4.224 -0.441
121 HE3 LYS 20 2HE LYS 20 1.696 -4.015 -1.719
122 HZ1 LYS 20 3HZ LYS 20 2.181 -4.663 0.913
123 HZ2 LYS 20 1HZ LYS 20 2.690 -3.057 0.761
124 HZ3 LYS 20 2HZ LYS 20 3.328 -4.247 -0.257
125 H GLY 21 H GLY 21 -1.968 -4.014 -2.478
126 HA2 GLY 21 1HA GLY 21 -3.783 -4.019 -4.812
127 HA3 GLY 21 2HA GLY 21 -3.849 -5.242 -3.551
128 H TYR 22 H TYR 22 -5.284 -2.501 -4.668
129 HA TYR 22 HA TYR 22 -6.317 -1.807 -1.996
130 HB2 TYR 22 1HB TYR 22 -5.847 -0.078 -4.420
131 HB3 TYR 22 2HB TYR 22 -6.901 0.425 -3.103
132 HD1 TYR 22 HD2 TYR 22 -3.424 -0.350 -4.038
133 HD2 TYR 22 HD1 TYR 22 -6.000 1.153 -1.004
134 HE1 TYR 22 HE2 TYR 22 -1.471 0.502 -2.810
135 HE2 TYR 22 HE1 TYR 22 -4.054 2.010 0.232
136 HH TYR 22 HH TYR 22 -1.783 2.616 -0.101
137 H LYS 23 H LYS 23 -8.382 -2.261 -1.654
138 HA LYS 23 HA LYS 23 -10.064 -3.603 -3.322
139 HB2 LYS 23 1HB LYS 23 -10.488 -1.854 -0.959
140 HB3 LYS 23 2HB LYS 23 -11.908 -2.258 -1.914
141 HG2 LYS 23 1HG LYS 23 -10.095 -4.469 -1.122
142 HG3 LYS 23 2HG LYS 23 -11.117 -3.743 0.121
143 HD2 LYS 23 1HD LYS 23 -12.542 -5.356 -0.640
144 HD3 LYS 23 2HD LYS 23 -12.972 -4.049 -1.746
145 HE2 LYS 23 1HE LYS 23 -11.933 -5.036 -3.532
146 HE3 LYS 23 2HE LYS 23 -10.762 -5.883 -2.521
147 HZ1 LYS 23 3HZ LYS 23 -13.639 -6.593 -2.596
148 HZ2 LYS 23 1HZ LYS 23 -12.368 -7.488 -1.927
149 HZ3 LYS 23 2HZ LYS 23 -12.487 -7.312 -3.605
150 H ARG 24 H ARG 24 -9.699 -0.100 -3.063
151 HA ARG 24 HA ARG 24 -11.339 0.170 -5.497
152 HB2 ARG 24 1HB ARG 24 -11.890 2.471 -4.681
153 HB3 ARG 24 2HB ARG 24 -12.544 1.176 -3.686
154 HG2 ARG 24 1HG ARG 24 -10.825 1.506 -2.036
155 HG3 ARG 24 2HG ARG 24 -10.026 2.700 -3.060
156 HD2 ARG 24 1HD ARG 24 -11.194 4.108 -1.703
157 HD3 ARG 24 2HD ARG 24 -12.411 3.845 -2.952
158 HE ARG 24 HE ARG 24 -12.525 2.005 -0.726
159 HH11 ARG 24 1HH1 ARG 24 -13.639 5.018 -2.068
160 HH12 ARG 24 2HH1 ARG 24 -15.077 5.067 -1.103
161 HH21 ARG 24 1HH2 ARG 24 -14.414 2.058 0.551
162 HH22 ARG 24 2HH2 ARG 24 -15.516 3.383 0.388
163 H ARG 25 H ARG 25 -10.758 1.970 -6.902
164 HA ARG 25 HA ARG 25 -7.941 2.091 -7.326
165 HB2 ARG 25 1HB ARG 25 -9.758 2.146 -9.106
166 HB3 ARG 25 2HB ARG 25 -10.018 3.826 -8.655
167 HG2 ARG 25 1HG ARG 25 -7.881 4.466 -9.398
168 HG3 ARG 25 2HG ARG 25 -7.330 2.792 -9.497
169 HD2 ARG 25 1HD ARG 25 -9.667 3.629 -11.141
170 HD3 ARG 25 2HD ARG 25 -8.055 4.132 -11.649
171 HE ARG 25 HE ARG 25 -9.175 1.522 -11.855
172 HH11 ARG 25 1HH1 ARG 25 -6.194 3.249 -11.351
173 HH12 ARG 25 2HH1 ARG 25 -5.200 1.979 -11.983
174 HH21 ARG 25 1HH2 ARG 25 -7.876 -0.157 -12.690
175 HH22 ARG 25 2HH2 ARG 25 -6.158 0.042 -12.745
176 H LEU 26 H LEU 26 -10.371 4.542 -6.448
177 HA LEU 26 HA LEU 26 -8.913 6.804 -6.274
178 HB2 LEU 26 1HB LEU 26 -11.360 6.193 -5.496
179 HB3 LEU 26 2HB LEU 26 -10.597 6.152 -3.908
180 HG LEU 26 HG LEU 26 -11.736 8.313 -4.556
181 HD11 LEU 26 1HD1 LEU 26 -9.909 7.975 -2.804
182 HD12 LEU 26 2HD1 LEU 26 -10.185 9.616 -3.386
183 HD13 LEU 26 3HD1 LEU 26 -8.813 8.687 -3.989
184 HD21 LEU 26 3HD2 LEU 26 -10.418 8.042 -6.906
185 HD22 LEU 26 1HD2 LEU 26 -9.350 9.155 -6.051
186 HD23 LEU 26 2HD2 LEU 26 -11.048 9.570 -6.288
187 H ASP 27 H ASP 27 -8.957 4.223 -3.843
188 HA ASP 27 HA ASP 27 -7.241 5.476 -1.994
189 HB2 ASP 27 1HB ASP 27 -8.118 2.659 -2.487
190 HB3 ASP 27 2HB ASP 27 -6.779 2.952 -1.381
191 H LEU 28 H LEU 28 -6.564 3.076 -4.534
192 HA LEU 28 HA LEU 28 -3.806 2.890 -4.115
193 HB2 LEU 28 1HB LEU 28 -4.770 1.240 -5.459
194 HB3 LEU 28 2HB LEU 28 -5.564 2.423 -6.496
195 HG LEU 28 HG LEU 28 -3.017 3.022 -7.048
196 HD11 LEU 28 1HD1 LEU 28 -2.990 0.308 -5.873
197 HD12 LEU 28 2HD1 LEU 28 -1.725 1.536 -5.931
198 HD13 LEU 28 3HD1 LEU 28 -2.065 0.552 -7.354
199 HD21 LEU 28 3HD2 LEU 28 -5.058 1.289 -8.230
200 HD22 LEU 28 1HD2 LEU 28 -3.418 0.962 -8.791
201 HD23 LEU 28 2HD2 LEU 28 -4.101 2.580 -8.958
202 H ASP 29 H ASP 29 -5.601 4.896 -6.447
203 HA ASP 29 HA ASP 29 -3.590 6.181 -7.742
204 HB2 ASP 29 1HB ASP 29 -6.116 6.521 -7.972
205 HB3 ASP 29 2HB ASP 29 -5.962 7.709 -6.680
206 H PHE 30 H PHE 30 -4.718 6.816 -4.467
207 HA PHE 30 HA PHE 30 -3.011 9.101 -4.107
208 HB2 PHE 30 1HB PHE 30 -5.270 8.342 -2.877
209 HB3 PHE 30 2HB PHE 30 -4.103 7.657 -1.750
210 HD1 PHE 30 HD1 PHE 30 -2.099 9.368 -1.192
211 HD2 PHE 30 HD2 PHE 30 -6.036 10.442 -2.404
212 HE1 PHE 30 HE1 PHE 30 -1.817 11.575 -0.141
213 HE2 PHE 30 HE2 PHE 30 -5.760 12.651 -1.356
214 HZ PHE 30 HZ PHE 30 -3.648 13.220 -0.224
215 H HIS 31 H HIS 31 -2.778 5.675 -3.623
216 HA HIS 31 HA HIS 31 -0.648 5.656 -1.762
217 HB2 HIS 31 1HB HIS 31 -1.626 3.585 -1.859
218 HB3 HIS 31 2HB HIS 31 -1.902 3.678 -3.596
219 HD1 HIS 31 HD1 HIS 31 0.705 2.739 -1.071
220 HD2 HIS 31 HD2 HIS 31 0.137 2.646 -5.186
221 HE1 HIS 31 HE1 HIS 31 2.569 1.314 -1.975
222 H GLN 32 H GLN 32 -0.695 5.336 -5.306
223 HA GLN 32 HA GLN 32 1.943 4.951 -5.855
224 HB2 GLN 32 1HB GLN 32 -0.100 6.637 -7.287
225 HB3 GLN 32 2HB GLN 32 1.520 6.398 -7.927
226 HG2 GLN 32 1HG GLN 32 1.178 4.061 -8.153
227 HG3 GLN 32 2HG GLN 32 -0.332 4.133 -7.246
228 HE21 GLN 32 1HE2 GLN 32 -1.971 3.772 -8.547
229 HE22 GLN 32 2HE2 GLN 32 -2.171 4.409 -10.140
230 H ARG 33 H ARG 33 0.458 7.834 -4.614
231 HA ARG 33 HA ARG 33 2.136 9.864 -5.235
232 HB2 ARG 33 1HB ARG 33 1.084 9.248 -2.467
233 HB3 ARG 33 2HB ARG 33 1.690 10.810 -3.001
234 HG2 ARG 33 1HG ARG 33 -0.528 9.546 -4.527
235 HG3 ARG 33 2HG ARG 33 -0.879 10.283 -2.962
236 HD2 ARG 33 1HD ARG 33 -0.424 12.394 -3.700
237 HD3 ARG 33 2HD ARG 33 0.757 11.841 -4.887
238 HE ARG 33 HE ARG 33 -0.938 11.590 -6.429
239 HH11 ARG 33 1HH1 ARG 33 -2.274 12.210 -3.275
240 HH12 ARG 33 2HH1 ARG 33 -3.880 12.481 -3.865
241 HH21 ARG 33 1HH2 ARG 33 -3.049 11.944 -7.218
242 HH22 ARG 33 2HH2 ARG 33 -4.320 12.329 -6.108
243 H VAL 34 H VAL 34 2.797 7.238 -2.982
244 HA VAL 34 HA VAL 34 5.185 8.247 -1.891
245 HB VAL 34 HB VAL 34 5.663 5.995 -1.165
246 HG11 VAL 34 1HG1 VAL 34 4.022 6.007 0.354
247 HG12 VAL 34 2HG1 VAL 34 3.400 7.408 -0.520
248 HG13 VAL 34 3HG1 VAL 34 2.768 5.799 -0.869
249 HG21 VAL 34 3HG2 VAL 34 5.228 4.787 -3.212
250 HG22 VAL 34 1HG2 VAL 34 4.265 4.095 -1.906
251 HG23 VAL 34 2HG2 VAL 34 3.506 5.149 -3.098
252 H HIS 35 H HIS 35 4.561 6.236 -4.735
253 HA HIS 35 HA HIS 35 7.307 5.828 -5.371
254 HB2 HIS 35 1HB HIS 35 4.811 5.566 -7.058
255 HB3 HIS 35 2HB HIS 35 6.417 5.064 -7.579
256 HD1 HIS 35 HD1 HIS 35 7.551 3.219 -5.844
257 HD2 HIS 35 HD2 HIS 35 3.412 3.580 -5.877
258 HE1 HIS 35 HE1 HIS 35 6.683 1.097 -4.811
259 H THR 36 H THR 36 4.869 8.174 -6.351
260 HA THR 36 HA THR 36 6.433 9.396 -8.388
261 HB THR 36 HB THR 36 4.798 11.235 -8.287
262 HG1 THR 36 HG1 THR 36 3.912 11.550 -6.393
263 HG21 THR 36 3HG2 THR 36 3.524 9.940 -9.574
264 HG22 THR 36 1HG2 THR 36 2.809 9.205 -8.140
265 HG23 THR 36 2HG2 THR 36 4.259 8.506 -8.859
266 H GLY 37 H GLY 37 8.334 10.323 -7.946
267 HA2 GLY 37 1HA GLY 37 8.517 12.015 -5.530
268 HA3 GLY 37 2HA GLY 37 9.878 11.154 -6.234
269 H GLU 38 H GLU 38 7.366 13.336 -7.521
270 HA GLU 38 HA GLU 38 9.523 14.876 -8.805
271 HB2 GLU 38 1HB GLU 38 6.629 14.535 -9.605
272 HB3 GLU 38 2HB GLU 38 7.747 15.643 -10.390
273 HG2 GLU 38 1HG GLU 38 7.943 12.643 -10.290
274 HG3 GLU 38 2HG GLU 38 7.565 13.641 -11.693
275 H LYS 39 H LYS 39 9.728 15.957 -6.682
276 HA LYS 39 HA LYS 39 7.924 18.263 -6.571
277 HB2 LYS 39 1HB LYS 39 8.654 16.466 -4.263
278 HB3 LYS 39 2HB LYS 39 8.084 18.113 -4.026
279 HG2 LYS 39 1HG LYS 39 6.524 16.084 -5.595
280 HG3 LYS 39 2HG LYS 39 6.363 16.266 -3.846
281 HD2 LYS 39 1HD LYS 39 6.063 18.602 -5.710
282 HD3 LYS 39 2HD LYS 39 4.708 17.533 -5.340
283 HE2 LYS 39 1HE LYS 39 5.491 18.004 -2.856
284 HE3 LYS 39 2HE LYS 39 6.146 19.465 -3.595
285 HZ1 LYS 39 3HZ LYS 39 4.073 20.242 -4.117
286 HZ2 LYS 39 1HZ LYS 39 3.728 19.425 -2.676
287 HZ3 LYS 39 2HZ LYS 39 3.368 18.705 -4.163
288 H LEU 40 H LEU 40 8.841 20.117 -5.472
289 HA LEU 40 HA LEU 40 11.349 20.836 -6.271
290 HB2 LEU 40 1HB LEU 40 11.272 22.613 -4.620
291 HB3 LEU 40 2HB LEU 40 9.705 22.407 -5.399
292 HG LEU 40 HG LEU 40 9.260 20.917 -3.243
293 HD11 LEU 40 1HD1 LEU 40 11.660 21.429 -2.502
294 HD12 LEU 40 2HD1 LEU 40 10.370 21.605 -1.313
295 HD13 LEU 40 3HD1 LEU 40 11.048 23.032 -2.096
296 HD21 LEU 40 3HD2 LEU 40 8.474 23.391 -4.161
297 HD22 LEU 40 1HD2 LEU 40 9.042 23.728 -2.525
298 HD23 LEU 40 2HD2 LEU 40 7.780 22.524 -2.790
299 H SER 41 H SER 41 10.454 19.236 -3.253
300 HA SER 41 HA SER 41 12.599 19.348 -1.674
301 HB2 SER 41 1HB SER 41 12.224 16.980 -1.042
302 HB3 SER 41 2HB SER 41 10.714 17.881 -1.180
303 HG SER 41 HG SER 41 10.166 16.319 -2.475
304 H GLY 42 H GLY 42 14.651 18.456 -1.479
305 HA2 GLY 42 1HA GLY 42 15.706 16.779 -3.599
306 HA3 GLY 42 2HA GLY 42 16.364 18.408 -3.547
307 HA PRO 43 HA PRO 43 19.262 17.300 -0.458
308 HB2 PRO 43 1HB PRO 43 19.163 19.357 1.312
309 HB3 PRO 43 2HB PRO 43 19.862 19.513 -0.304
310 HG2 PRO 43 1HG PRO 43 17.148 20.316 0.672
311 HG3 PRO 43 2HG PRO 43 18.262 21.198 -0.390
312 HD2 PRO 43 1HD PRO 43 16.141 19.806 -1.337
313 HD3 PRO 43 2HD PRO 43 17.654 19.979 -2.249
314 H SER 44 H SER 44 19.606 16.975 1.941
315 HA SER 44 HA SER 44 19.005 16.056 3.936
316 HB2 SER 44 1HB SER 44 17.468 18.089 3.990
317 HB3 SER 44 2HB SER 44 16.188 17.016 3.424
318 HG SER 44 HG SER 44 16.582 15.727 5.293
319 H SER 45 H SER 45 18.964 14.499 1.570
320 HA SER 45 HA SER 45 16.861 12.545 2.239
321 HB2 SER 45 1HB SER 45 16.492 13.581 0.022
322 HB3 SER 45 2HB SER 45 18.092 13.039 -0.484
323 HG SER 45 HG SER 45 17.049 10.880 0.341
324 H GLY 46 H GLY 46 20.098 12.878 0.785
325 HA2 GLY 46 1HA GLY 46 21.973 11.654 1.664
326 HA3 GLY 46 2HA GLY 46 20.859 10.390 2.164
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 9.924 -25.222 9.093
2 HA2 GLY 1 1HA GLY 1 9.450 -27.553 7.390
3 HA3 GLY 1 2HA GLY 1 9.038 -27.704 9.092
4 H SER 2 H SER 2 8.408 -25.749 6.203
5 HA SER 2 HA SER 2 5.782 -25.051 7.334
6 HB2 SER 2 1HB SER 2 7.564 -23.286 6.482
7 HB3 SER 2 2HB SER 2 6.869 -23.680 4.910
8 HG SER 2 HG SER 2 4.846 -23.337 6.544
9 H SER 3 H SER 3 4.019 -24.814 5.676
10 HA SER 3 HA SER 3 4.171 -27.059 3.777
11 HB2 SER 3 1HB SER 3 2.493 -27.140 5.709
12 HB3 SER 3 2HB SER 3 1.625 -25.858 4.864
13 HG SER 3 HG SER 3 0.782 -27.384 3.710
14 H GLY 4 H GLY 4 5.214 -24.612 2.987
15 HA2 GLY 4 1HA GLY 4 5.152 -23.427 0.988
16 HA3 GLY 4 2HA GLY 4 3.545 -24.071 0.687
17 H SER 5 H SER 5 3.542 -21.658 -0.042
18 HA SER 5 HA SER 5 2.608 -20.032 2.232
19 HB2 SER 5 1HB SER 5 3.387 -18.065 1.145
20 HB3 SER 5 2HB SER 5 4.698 -19.236 1.009
21 HG SER 5 HG SER 5 2.916 -18.321 -0.966
22 H SER 6 H SER 6 0.494 -19.713 2.250
23 HA SER 6 HA SER 6 -0.924 -19.425 -0.308
24 HB2 SER 6 1HB SER 6 -1.182 -21.736 0.840
25 HB3 SER 6 2HB SER 6 -2.188 -20.876 2.005
26 HG SER 6 HG SER 6 -2.742 -21.626 -0.561
27 H GLY 7 H GLY 7 -0.054 -17.290 1.195
28 HA2 GLY 7 1HA GLY 7 -2.582 -16.294 2.360
29 HA3 GLY 7 2HA GLY 7 -1.009 -15.884 3.029
30 H SER 8 H SER 8 -3.281 -15.307 0.457
31 HA SER 8 HA SER 8 -2.356 -12.669 0.037
32 HB2 SER 8 1HB SER 8 -0.586 -14.101 -1.159
33 HB3 SER 8 2HB SER 8 -1.849 -14.456 -2.338
34 HG SER 8 HG SER 8 -1.221 -12.650 -3.209
35 H GLY 9 H GLY 9 -4.245 -11.693 -0.245
36 HA2 GLY 9 1HA GLY 9 -6.527 -13.056 -1.324
37 HA3 GLY 9 2HA GLY 9 -6.457 -11.373 -0.823
38 H GLU 10 H GLU 10 -7.909 -11.480 -2.878
39 HA GLU 10 HA GLU 10 -6.185 -10.785 -5.158
40 HB2 GLU 10 1HB GLU 10 -7.415 -13.046 -5.326
41 HB3 GLU 10 2HB GLU 10 -8.873 -12.083 -5.523
42 HG2 GLU 10 1HG GLU 10 -7.396 -10.905 -7.377
43 HG3 GLU 10 2HG GLU 10 -6.586 -12.470 -7.366
44 H LYS 11 H LYS 11 -6.395 -8.677 -5.481
45 HA LYS 11 HA LYS 11 -9.042 -7.444 -5.094
46 HB2 LYS 11 1HB LYS 11 -6.252 -6.376 -4.770
47 HB3 LYS 11 2HB LYS 11 -7.609 -5.286 -5.023
48 HG2 LYS 11 1HG LYS 11 -8.480 -5.663 -2.962
49 HG3 LYS 11 2HG LYS 11 -7.882 -7.322 -2.890
50 HD2 LYS 11 1HD LYS 11 -5.997 -4.990 -2.804
51 HD3 LYS 11 2HD LYS 11 -6.813 -5.557 -1.344
52 HE2 LYS 11 1HE LYS 11 -5.916 -7.860 -1.912
53 HE3 LYS 11 2HE LYS 11 -4.901 -7.063 -3.113
54 HZ1 LYS 11 3HZ LYS 11 -4.033 -7.492 -0.705
55 HZ2 LYS 11 1HZ LYS 11 -4.869 -6.062 -0.357
56 HZ3 LYS 11 2HZ LYS 11 -3.637 -6.061 -1.516
57 HA PRO 12 HA PRO 12 -9.309 -6.429 -9.357
58 HB2 PRO 12 1HB PRO 12 -10.613 -4.051 -9.255
59 HB3 PRO 12 2HB PRO 12 -11.401 -5.594 -8.906
60 HG2 PRO 12 1HG PRO 12 -10.319 -3.548 -7.008
61 HG3 PRO 12 2HG PRO 12 -11.838 -4.459 -6.924
62 HD2 PRO 12 1HD PRO 12 -9.650 -5.140 -5.482
63 HD3 PRO 12 2HD PRO 12 -10.809 -6.342 -6.084
64 H TYR 13 H TYR 13 -8.455 -3.561 -7.408
65 HA TYR 13 HA TYR 13 -6.815 -2.554 -9.595
66 HB2 TYR 13 1HB TYR 13 -7.262 -1.273 -6.899
67 HB3 TYR 13 2HB TYR 13 -6.698 -0.500 -8.376
68 HD1 TYR 13 HD1 TYR 13 -8.287 -0.140 -10.260
69 HD2 TYR 13 HD2 TYR 13 -9.584 -1.558 -6.464
70 HE1 TYR 13 HE1 TYR 13 -10.601 0.466 -10.831
71 HE2 TYR 13 HE2 TYR 13 -11.902 -0.958 -7.025
72 HH TYR 13 HH TYR 13 -13.203 0.209 -8.472
73 H LYS 14 H LYS 14 -4.622 -2.368 -9.555
74 HA LYS 14 HA LYS 14 -3.168 -3.135 -7.140
75 HB2 LYS 14 1HB LYS 14 -2.731 -4.467 -9.820
76 HB3 LYS 14 2HB LYS 14 -1.755 -4.720 -8.380
77 HG2 LYS 14 1HG LYS 14 -3.111 -6.523 -8.203
78 HG3 LYS 14 2HG LYS 14 -4.119 -5.349 -7.353
79 HD2 LYS 14 1HD LYS 14 -5.641 -5.226 -9.046
80 HD3 LYS 14 2HD LYS 14 -4.438 -5.549 -10.297
81 HE2 LYS 14 1HE LYS 14 -5.174 -7.695 -8.354
82 HE3 LYS 14 2HE LYS 14 -6.243 -7.343 -9.711
83 HZ1 LYS 14 3HZ LYS 14 -4.357 -9.100 -9.941
84 HZ2 LYS 14 1HZ LYS 14 -3.381 -7.748 -10.222
85 HZ3 LYS 14 2HZ LYS 14 -4.705 -8.058 -11.227
86 H CYS 15 H CYS 15 -1.150 -2.221 -6.959
87 HA CYS 15 HA CYS 15 -0.649 0.099 -8.531
88 HB2 CYS 15 1HB CYS 15 -0.063 -0.199 -6.090
89 HB3 CYS 15 2HB CYS 15 1.264 -1.233 -6.610
90 H VAL 16 H VAL 16 1.280 0.550 -9.756
91 HA VAL 16 HA VAL 16 2.230 -1.823 -11.207
92 HB VAL 16 HB VAL 16 1.086 -0.065 -12.540
93 HG11 VAL 16 1HG1 VAL 16 2.075 2.075 -12.897
94 HG12 VAL 16 2HG1 VAL 16 1.939 1.840 -11.154
95 HG13 VAL 16 3HG1 VAL 16 3.499 1.639 -11.952
96 HG21 VAL 16 3HG2 VAL 16 4.007 -0.505 -13.150
97 HG22 VAL 16 1HG2 VAL 16 2.663 -1.546 -13.621
98 HG23 VAL 16 2HG2 VAL 16 2.807 0.073 -14.306
99 H GLU 17 H GLU 17 3.207 0.562 -9.003
100 HA GLU 17 HA GLU 17 5.993 0.590 -9.759
101 HB2 GLU 17 1HB GLU 17 4.569 1.663 -7.319
102 HB3 GLU 17 2HB GLU 17 6.278 1.897 -7.656
103 HG2 GLU 17 1HG GLU 17 3.959 2.915 -9.277
104 HG3 GLU 17 2HG GLU 17 5.067 3.865 -8.288
105 H CYS 18 H CYS 18 4.035 -0.821 -7.162
106 HA CYS 18 HA CYS 18 6.303 -2.595 -6.534
107 HB2 CYS 18 1HB CYS 18 5.359 -2.728 -4.222
108 HB3 CYS 18 2HB CYS 18 5.942 -1.125 -4.661
109 H GLY 19 H GLY 19 2.805 -2.294 -6.857
110 HA2 GLY 19 1HA GLY 19 1.635 -4.093 -8.014
111 HA3 GLY 19 2HA GLY 19 2.681 -5.227 -7.173
112 H LYS 20 H LYS 20 1.735 -2.710 -5.154
113 HA LYS 20 HA LYS 20 0.386 -4.314 -3.337
114 HB2 LYS 20 1HB LYS 20 1.319 -1.820 -3.227
115 HB3 LYS 20 2HB LYS 20 -0.374 -1.439 -3.508
116 HG2 LYS 20 1HG LYS 20 -0.445 -1.490 -1.258
117 HG3 LYS 20 2HG LYS 20 -0.657 -3.220 -1.534
118 HD2 LYS 20 1HD LYS 20 2.122 -2.196 -1.366
119 HD3 LYS 20 2HD LYS 20 1.185 -2.249 0.129
120 HE2 LYS 20 1HE LYS 20 1.521 -4.590 -1.739
121 HE3 LYS 20 2HE LYS 20 2.541 -4.301 -0.330
122 HZ1 LYS 20 3HZ LYS 20 -0.292 -5.076 -0.440
123 HZ2 LYS 20 1HZ LYS 20 0.277 -4.212 0.898
124 HZ3 LYS 20 2HZ LYS 20 0.957 -5.711 0.508
125 H GLY 21 H GLY 21 -1.904 -4.121 -2.635
126 HA2 GLY 21 1HA GLY 21 -3.693 -3.843 -4.971
127 HA3 GLY 21 2HA GLY 21 -3.868 -5.133 -3.791
128 H TYR 22 H TYR 22 -5.565 -2.749 -4.723
129 HA TYR 22 HA TYR 22 -6.305 -1.885 -2.012
130 HB2 TYR 22 1HB TYR 22 -5.981 -0.171 -4.470
131 HB3 TYR 22 2HB TYR 22 -6.961 0.338 -3.099
132 HD1 TYR 22 HD2 TYR 22 -3.526 -0.592 -4.126
133 HD2 TYR 22 HD1 TYR 22 -5.961 1.242 -1.157
134 HE1 TYR 22 HE2 TYR 22 -1.509 0.274 -3.015
135 HE2 TYR 22 HE1 TYR 22 -3.951 2.114 -0.039
136 HH TYR 22 HH TYR 22 -1.740 2.267 -0.081
137 H LYS 23 H LYS 23 -8.473 -1.743 -1.593
138 HA LYS 23 HA LYS 23 -10.236 -3.311 -3.099
139 HB2 LYS 23 1HB LYS 23 -10.630 -2.951 -0.751
140 HB3 LYS 23 2HB LYS 23 -10.771 -1.215 -0.992
141 HG2 LYS 23 1HG LYS 23 -12.964 -2.014 -0.718
142 HG3 LYS 23 2HG LYS 23 -12.777 -1.705 -2.446
143 HD2 LYS 23 1HD LYS 23 -13.841 -3.787 -2.344
144 HD3 LYS 23 2HD LYS 23 -12.144 -4.183 -2.626
145 HE2 LYS 23 1HE LYS 23 -11.897 -4.484 -0.153
146 HE3 LYS 23 2HE LYS 23 -13.644 -4.293 -0.014
147 HZ1 LYS 23 3HZ LYS 23 -12.199 -6.428 -1.485
148 HZ2 LYS 23 1HZ LYS 23 -13.876 -6.204 -1.543
149 HZ3 LYS 23 2HZ LYS 23 -13.126 -6.608 -0.081
150 H ARG 24 H ARG 24 -9.799 0.198 -2.964
151 HA ARG 24 HA ARG 24 -11.523 0.422 -5.344
152 HB2 ARG 24 1HB ARG 24 -12.625 1.538 -3.543
153 HB3 ARG 24 2HB ARG 24 -11.139 2.338 -3.047
154 HG2 ARG 24 1HG ARG 24 -11.159 3.721 -5.005
155 HG3 ARG 24 2HG ARG 24 -12.533 2.833 -5.667
156 HD2 ARG 24 1HD ARG 24 -12.570 4.419 -3.102
157 HD3 ARG 24 2HD ARG 24 -13.165 5.002 -4.656
158 HE ARG 24 HE ARG 24 -14.393 2.542 -3.951
159 HH11 ARG 24 1HH1 ARG 24 -14.422 5.951 -3.244
160 HH12 ARG 24 2HH1 ARG 24 -16.080 5.965 -2.741
161 HH21 ARG 24 1HH2 ARG 24 -16.577 2.548 -3.292
162 HH22 ARG 24 2HH2 ARG 24 -17.305 4.029 -2.768
163 H ARG 25 H ARG 25 -10.936 2.051 -6.895
164 HA ARG 25 HA ARG 25 -8.168 2.079 -7.474
165 HB2 ARG 25 1HB ARG 25 -10.106 2.229 -9.121
166 HB3 ARG 25 2HB ARG 25 -10.224 3.927 -8.678
167 HG2 ARG 25 1HG ARG 25 -8.070 4.395 -9.545
168 HG3 ARG 25 2HG ARG 25 -7.702 2.679 -9.731
169 HD2 ARG 25 1HD ARG 25 -10.046 3.865 -11.155
170 HD3 ARG 25 2HD ARG 25 -8.421 4.096 -11.799
171 HE ARG 25 HE ARG 25 -8.970 1.358 -11.202
172 HH11 ARG 25 1HH1 ARG 25 -9.454 3.875 -13.559
173 HH12 ARG 25 2HH1 ARG 25 -9.633 2.776 -14.886
174 HH21 ARG 25 1HH2 ARG 25 -9.204 -0.098 -12.942
175 HH22 ARG 25 2HH2 ARG 25 -9.492 0.517 -14.534
176 H LEU 26 H LEU 26 -10.364 4.777 -6.671
177 HA LEU 26 HA LEU 26 -8.693 6.879 -6.548
178 HB2 LEU 26 1HB LEU 26 -11.180 6.605 -5.811
179 HB3 LEU 26 2HB LEU 26 -10.486 6.430 -4.201
180 HG LEU 26 HG LEU 26 -11.318 8.738 -4.860
181 HD11 LEU 26 1HD1 LEU 26 -9.258 7.910 -3.230
182 HD12 LEU 26 2HD1 LEU 26 -9.995 9.512 -3.244
183 HD13 LEU 26 3HD1 LEU 26 -8.532 9.207 -4.180
184 HD21 LEU 26 3HD2 LEU 26 -8.708 9.039 -6.284
185 HD22 LEU 26 1HD2 LEU 26 -10.154 10.047 -6.361
186 HD23 LEU 26 2HD2 LEU 26 -10.132 8.475 -7.161
187 H ASP 27 H ASP 27 -9.033 4.446 -3.985
188 HA ASP 27 HA ASP 27 -7.280 5.543 -2.127
189 HB2 ASP 27 1HB ASP 27 -8.086 2.711 -2.738
190 HB3 ASP 27 2HB ASP 27 -6.917 3.067 -1.469
191 H LEU 28 H LEU 28 -6.535 2.982 -4.500
192 HA LEU 28 HA LEU 28 -3.788 2.897 -4.054
193 HB2 LEU 28 1HB LEU 28 -4.696 1.135 -5.285
194 HB3 LEU 28 2HB LEU 28 -5.506 2.220 -6.413
195 HG LEU 28 HG LEU 28 -2.977 2.837 -7.000
196 HD11 LEU 28 1HD1 LEU 28 -2.163 1.213 -5.264
197 HD12 LEU 28 2HD1 LEU 28 -1.512 0.976 -6.886
198 HD13 LEU 28 3HD1 LEU 28 -2.791 -0.080 -6.286
199 HD21 LEU 28 3HD2 LEU 28 -4.138 2.213 -8.834
200 HD22 LEU 28 1HD2 LEU 28 -4.898 0.843 -8.023
201 HD23 LEU 28 2HD2 LEU 28 -3.242 0.709 -8.616
202 H ASP 29 H ASP 29 -5.671 4.897 -6.281
203 HA ASP 29 HA ASP 29 -3.633 6.060 -7.742
204 HB2 ASP 29 1HB ASP 29 -6.377 6.886 -6.954
205 HB3 ASP 29 2HB ASP 29 -5.313 8.144 -7.577
206 H PHE 30 H PHE 30 -4.690 6.737 -4.475
207 HA PHE 30 HA PHE 30 -3.040 9.101 -4.243
208 HB2 PHE 30 1HB PHE 30 -5.309 8.441 -3.005
209 HB3 PHE 30 2HB PHE 30 -4.179 7.766 -1.837
210 HD1 PHE 30 HD1 PHE 30 -2.259 9.366 -1.080
211 HD2 PHE 30 HD2 PHE 30 -5.917 10.653 -2.836
212 HE1 PHE 30 HE1 PHE 30 -1.941 11.600 -0.097
213 HE2 PHE 30 HE2 PHE 30 -5.604 12.889 -1.857
214 HZ PHE 30 HZ PHE 30 -3.614 13.365 -0.486
215 H HIS 31 H HIS 31 -2.676 5.733 -3.828
216 HA HIS 31 HA HIS 31 -0.624 5.778 -1.847
217 HB2 HIS 31 1HB HIS 31 -1.579 3.691 -1.935
218 HB3 HIS 31 2HB HIS 31 -1.786 3.741 -3.683
219 HD1 HIS 31 HD1 HIS 31 0.921 3.190 -1.093
220 HD2 HIS 31 HD2 HIS 31 0.147 2.433 -5.105
221 HE1 HIS 31 HE1 HIS 31 2.800 1.712 -1.873
222 H GLN 32 H GLN 32 -0.608 5.449 -5.387
223 HA GLN 32 HA GLN 32 2.021 5.062 -5.926
224 HB2 GLN 32 1HB GLN 32 0.056 6.870 -7.328
225 HB3 GLN 32 2HB GLN 32 1.658 6.528 -7.970
226 HG2 GLN 32 1HG GLN 32 1.154 4.331 -8.432
227 HG3 GLN 32 2HG GLN 32 -0.154 4.272 -7.251
228 HE21 GLN 32 1HE2 GLN 32 -1.737 3.560 -8.591
229 HE22 GLN 32 2HE2 GLN 32 -2.358 4.472 -9.919
230 H ARG 33 H ARG 33 0.621 7.850 -4.468
231 HA ARG 33 HA ARG 33 2.374 9.880 -5.064
232 HB2 ARG 33 1HB ARG 33 1.157 9.261 -2.365
233 HB3 ARG 33 2HB ARG 33 1.849 10.807 -2.838
234 HG2 ARG 33 1HG ARG 33 -0.309 9.684 -4.534
235 HG3 ARG 33 2HG ARG 33 -0.747 10.332 -2.952
236 HD2 ARG 33 1HD ARG 33 -0.964 12.169 -4.359
237 HD3 ARG 33 2HD ARG 33 0.637 12.387 -3.654
238 HE ARG 33 HE ARG 33 1.041 10.982 -5.982
239 HH11 ARG 33 1HH1 ARG 33 -0.353 14.048 -5.099
240 HH12 ARG 33 2HH1 ARG 33 0.061 14.815 -6.596
241 HH21 ARG 33 1HH2 ARG 33 1.592 11.982 -7.957
242 HH22 ARG 33 2HH2 ARG 33 1.167 13.639 -8.222
243 H VAL 34 H VAL 34 2.780 7.292 -2.681
244 HA VAL 34 HA VAL 34 5.200 8.201 -1.573
245 HB VAL 34 HB VAL 34 5.487 5.981 -0.681
246 HG11 VAL 34 1HG1 VAL 34 2.787 7.208 -0.670
247 HG12 VAL 34 2HG1 VAL 34 2.961 5.605 0.049
248 HG13 VAL 34 3HG1 VAL 34 3.923 6.954 0.655
249 HG21 VAL 34 3HG2 VAL 34 3.161 4.935 -2.235
250 HG22 VAL 34 1HG2 VAL 34 4.766 4.947 -2.964
251 HG23 VAL 34 2HG2 VAL 34 4.484 4.057 -1.468
252 H HIS 35 H HIS 35 4.477 6.561 -4.537
253 HA HIS 35 HA HIS 35 7.204 5.706 -4.990
254 HB2 HIS 35 1HB HIS 35 4.708 5.618 -6.685
255 HB3 HIS 35 2HB HIS 35 6.280 5.082 -7.273
256 HD1 HIS 35 HD1 HIS 35 7.405 3.262 -5.368
257 HD2 HIS 35 HD2 HIS 35 3.280 3.521 -5.793
258 HE1 HIS 35 HE1 HIS 35 6.498 1.106 -4.446
259 H THR 36 H THR 36 5.061 8.292 -6.024
260 HA THR 36 HA THR 36 6.802 9.323 -8.034
261 HB THR 36 HB THR 36 5.350 11.310 -8.011
262 HG1 THR 36 HG1 THR 36 3.559 11.295 -6.531
263 HG21 THR 36 3HG2 THR 36 4.712 8.898 -8.951
264 HG22 THR 36 1HG2 THR 36 3.616 10.274 -9.068
265 HG23 THR 36 2HG2 THR 36 3.402 9.082 -7.785
266 H GLY 37 H GLY 37 6.136 10.203 -4.658
267 HA2 GLY 37 1HA GLY 37 7.892 12.434 -4.608
268 HA3 GLY 37 2HA GLY 37 7.248 11.594 -3.205
269 H GLU 38 H GLU 38 9.289 11.856 -2.172
270 HA GLU 38 HA GLU 38 11.424 10.145 -3.259
271 HB2 GLU 38 1HB GLU 38 11.461 12.622 -1.579
272 HB3 GLU 38 2HB GLU 38 12.790 11.477 -1.455
273 HG2 GLU 38 1HG GLU 38 13.028 11.662 -3.956
274 HG3 GLU 38 2HG GLU 38 11.897 13.011 -3.877
275 H LYS 39 H LYS 39 10.541 8.216 -2.421
276 HA LYS 39 HA LYS 39 11.357 7.644 0.266
277 HB2 LYS 39 1HB LYS 39 9.140 8.656 0.670
278 HB3 LYS 39 2HB LYS 39 8.412 7.463 -0.398
279 HG2 LYS 39 1HG LYS 39 8.027 6.727 1.811
280 HG3 LYS 39 2HG LYS 39 9.294 5.692 1.150
281 HD2 LYS 39 1HD LYS 39 10.039 6.234 3.306
282 HD3 LYS 39 2HD LYS 39 10.941 7.315 2.241
283 HE2 LYS 39 1HE LYS 39 9.392 9.122 2.730
284 HE3 LYS 39 2HE LYS 39 8.423 8.045 3.734
285 HZ1 LYS 39 3HZ LYS 39 10.844 9.451 4.370
286 HZ2 LYS 39 1HZ LYS 39 10.906 7.813 4.791
287 HZ3 LYS 39 2HZ LYS 39 9.673 8.797 5.400
288 H LEU 40 H LEU 40 11.763 5.495 0.559
289 HA LEU 40 HA LEU 40 10.797 3.614 -1.475
290 HB2 LEU 40 1HB LEU 40 13.651 4.085 -0.660
291 HB3 LEU 40 2HB LEU 40 13.122 2.580 -1.410
292 HG LEU 40 HG LEU 40 12.226 4.185 -3.281
293 HD11 LEU 40 1HD1 LEU 40 13.940 6.072 -3.522
294 HD12 LEU 40 2HD1 LEU 40 14.216 5.862 -1.794
295 HD13 LEU 40 3HD1 LEU 40 12.614 6.302 -2.383
296 HD21 LEU 40 3HD2 LEU 40 13.771 2.733 -4.080
297 HD22 LEU 40 1HD2 LEU 40 14.912 3.053 -2.774
298 HD23 LEU 40 2HD2 LEU 40 14.764 4.190 -4.113
299 H SER 41 H SER 41 9.601 2.253 -0.307
300 HA SER 41 HA SER 41 10.703 1.263 2.241
301 HB2 SER 41 1HB SER 41 8.364 0.754 2.878
302 HB3 SER 41 2HB SER 41 8.603 2.470 2.550
303 HG SER 41 HG SER 41 7.810 0.866 0.418
304 H GLY 42 H GLY 42 11.657 -0.642 1.905
305 HA2 GLY 42 1HA GLY 42 10.159 -2.904 1.079
306 HA3 GLY 42 2HA GLY 42 11.227 -2.385 -0.216
307 HA PRO 43 HA PRO 43 14.687 -4.386 1.576
308 HB2 PRO 43 1HB PRO 43 16.669 -2.530 1.566
309 HB3 PRO 43 2HB PRO 43 16.057 -3.291 0.092
310 HG2 PRO 43 1HG PRO 43 15.396 -0.613 1.257
311 HG3 PRO 43 2HG PRO 43 15.710 -1.052 -0.432
312 HD2 PRO 43 1HD PRO 43 13.208 -0.707 0.543
313 HD3 PRO 43 2HD PRO 43 13.578 -1.868 -0.748
314 H SER 44 H SER 44 14.842 -4.989 3.636
315 HA SER 44 HA SER 44 15.853 -3.231 5.648
316 HB2 SER 44 1HB SER 44 12.931 -3.875 5.577
317 HB3 SER 44 2HB SER 44 13.740 -3.755 7.139
318 HG SER 44 HG SER 44 12.817 -1.784 5.724
319 H SER 45 H SER 45 16.795 -4.351 7.280
320 HA SER 45 HA SER 45 17.292 -7.089 6.970
321 HB2 SER 45 1HB SER 45 18.433 -6.967 9.111
322 HB3 SER 45 2HB SER 45 18.777 -5.503 8.190
323 HG SER 45 HG SER 45 16.683 -5.646 10.087
324 H GLY 46 H GLY 46 14.830 -5.372 8.751
325 HA2 GLY 46 1HA GLY 46 12.814 -6.221 9.540
326 HA3 GLY 46 2HA GLY 46 13.377 -7.840 9.154
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 12.097 -24.037 2.600
2 HA2 GLY 1 1HA GLY 1 9.821 -23.917 0.951
3 HA3 GLY 1 2HA GLY 1 9.384 -24.734 2.445
4 H SER 2 H SER 2 8.206 -22.342 1.681
5 HA SER 2 HA SER 2 8.961 -20.666 3.932
6 HB2 SER 2 1HB SER 2 10.292 -19.826 1.982
7 HB3 SER 2 2HB SER 2 8.774 -19.489 1.150
8 HG SER 2 HG SER 2 9.222 -17.612 2.128
9 H SER 3 H SER 3 7.256 -19.610 4.822
10 HA SER 3 HA SER 3 4.721 -19.574 3.340
11 HB2 SER 3 1HB SER 3 5.275 -20.836 5.998
12 HB3 SER 3 2HB SER 3 3.695 -20.108 5.709
13 HG SER 3 HG SER 3 3.657 -21.447 3.753
14 H GLY 4 H GLY 4 3.264 -17.933 3.939
15 HA2 GLY 4 1HA GLY 4 3.404 -16.192 6.061
16 HA3 GLY 4 2HA GLY 4 4.521 -15.538 4.873
17 H SER 5 H SER 5 3.266 -13.676 4.587
18 HA SER 5 HA SER 5 1.508 -12.392 3.858
19 HB2 SER 5 1HB SER 5 0.866 -12.906 1.520
20 HB3 SER 5 2HB SER 5 2.611 -12.980 1.762
21 HG SER 5 HG SER 5 0.841 -14.967 1.084
22 H SER 6 H SER 6 0.624 -14.189 5.779
23 HA SER 6 HA SER 6 -1.783 -15.472 4.799
24 HB2 SER 6 1HB SER 6 -0.300 -16.417 6.636
25 HB3 SER 6 2HB SER 6 -0.940 -15.150 7.683
26 HG SER 6 HG SER 6 -2.436 -16.598 8.036
27 H GLY 7 H GLY 7 -3.904 -14.968 5.521
28 HA2 GLY 7 1HA GLY 7 -5.639 -13.576 6.102
29 HA3 GLY 7 2HA GLY 7 -4.501 -12.697 7.113
30 H SER 8 H SER 8 -5.254 -13.162 3.659
31 HA SER 8 HA SER 8 -5.055 -10.250 3.323
32 HB2 SER 8 1HB SER 8 -3.681 -12.377 1.689
33 HB3 SER 8 2HB SER 8 -4.018 -10.779 1.024
34 HG SER 8 HG SER 8 -2.564 -9.909 2.326
35 H GLY 9 H GLY 9 -6.121 -9.468 1.339
36 HA2 GLY 9 1HA GLY 9 -8.432 -11.183 0.673
37 HA3 GLY 9 2HA GLY 9 -8.497 -9.429 0.756
38 H GLU 10 H GLU 10 -9.453 -9.660 -1.405
39 HA GLU 10 HA GLU 10 -7.342 -9.795 -3.451
40 HB2 GLU 10 1HB GLU 10 -8.938 -10.796 -5.015
41 HB3 GLU 10 2HB GLU 10 -8.711 -11.816 -3.601
42 HG2 GLU 10 1HG GLU 10 -10.821 -10.523 -2.728
43 HG3 GLU 10 2HG GLU 10 -11.089 -10.249 -4.449
44 H LYS 11 H LYS 11 -7.088 -7.868 -4.341
45 HA LYS 11 HA LYS 11 -9.429 -6.093 -4.566
46 HB2 LYS 11 1HB LYS 11 -6.490 -5.437 -4.317
47 HB3 LYS 11 2HB LYS 11 -7.729 -4.244 -4.683
48 HG2 LYS 11 1HG LYS 11 -7.391 -4.033 -2.392
49 HG3 LYS 11 2HG LYS 11 -8.853 -5.014 -2.519
50 HD2 LYS 11 1HD LYS 11 -7.806 -6.912 -1.777
51 HD3 LYS 11 2HD LYS 11 -6.226 -6.406 -2.377
52 HE2 LYS 11 1HE LYS 11 -5.949 -6.186 -0.101
53 HE3 LYS 11 2HE LYS 11 -6.438 -4.555 -0.555
54 HZ1 LYS 11 3HZ LYS 11 -7.591 -6.015 1.384
55 HZ2 LYS 11 1HZ LYS 11 -8.630 -6.320 0.084
56 HZ3 LYS 11 2HZ LYS 11 -8.341 -4.729 0.581
57 HA PRO 12 HA PRO 12 -9.118 -6.392 -8.951
58 HB2 PRO 12 1HB PRO 12 -10.442 -4.116 -9.614
59 HB3 PRO 12 2HB PRO 12 -11.259 -5.561 -9.005
60 HG2 PRO 12 1HG PRO 12 -10.470 -3.072 -7.540
61 HG3 PRO 12 2HG PRO 12 -11.979 -3.998 -7.440
62 HD2 PRO 12 1HD PRO 12 -10.010 -4.216 -5.594
63 HD3 PRO 12 2HD PRO 12 -11.064 -5.576 -6.032
64 H TYR 13 H TYR 13 -8.446 -3.187 -7.545
65 HA TYR 13 HA TYR 13 -6.650 -2.555 -9.744
66 HB2 TYR 13 1HB TYR 13 -7.216 -0.862 -7.310
67 HB3 TYR 13 2HB TYR 13 -6.582 -0.337 -8.866
68 HD1 TYR 13 HD1 TYR 13 -8.064 -0.114 -10.802
69 HD2 TYR 13 HD2 TYR 13 -9.578 -1.232 -6.986
70 HE1 TYR 13 HE1 TYR 13 -10.345 0.400 -11.564
71 HE2 TYR 13 HE2 TYR 13 -11.864 -0.722 -7.738
72 HH TYR 13 HH TYR 13 -13.120 0.120 -9.370
73 H LYS 14 H LYS 14 -4.477 -2.542 -9.642
74 HA LYS 14 HA LYS 14 -3.175 -2.906 -7.039
75 HB2 LYS 14 1HB LYS 14 -2.819 -4.651 -9.473
76 HB3 LYS 14 2HB LYS 14 -1.631 -4.581 -8.179
77 HG2 LYS 14 1HG LYS 14 -2.987 -5.665 -6.685
78 HG3 LYS 14 2HG LYS 14 -4.471 -5.151 -7.492
79 HD2 LYS 14 1HD LYS 14 -4.112 -6.713 -9.277
80 HD3 LYS 14 2HD LYS 14 -2.510 -7.124 -8.659
81 HE2 LYS 14 1HE LYS 14 -5.104 -7.605 -7.196
82 HE3 LYS 14 2HE LYS 14 -4.234 -8.822 -8.128
83 HZ1 LYS 14 3HZ LYS 14 -3.508 -9.194 -5.986
84 HZ2 LYS 14 1HZ LYS 14 -3.477 -7.551 -5.581
85 HZ3 LYS 14 2HZ LYS 14 -2.283 -8.197 -6.591
86 H CYS 15 H CYS 15 -1.131 -2.027 -6.868
87 HA CYS 15 HA CYS 15 -0.518 0.134 -8.579
88 HB2 CYS 15 1HB CYS 15 0.107 -0.095 -6.135
89 HB3 CYS 15 2HB CYS 15 1.386 -1.192 -6.645
90 H VAL 16 H VAL 16 1.448 0.446 -9.820
91 HA VAL 16 HA VAL 16 2.230 -2.018 -11.219
92 HB VAL 16 HB VAL 16 1.191 -0.239 -12.595
93 HG11 VAL 16 1HG1 VAL 16 2.568 1.782 -13.093
94 HG12 VAL 16 2HG1 VAL 16 1.923 1.733 -11.450
95 HG13 VAL 16 3HG1 VAL 16 3.616 1.336 -11.747
96 HG21 VAL 16 3HG2 VAL 16 4.078 -0.891 -13.168
97 HG22 VAL 16 1HG2 VAL 16 2.654 -1.796 -13.682
98 HG23 VAL 16 2HG2 VAL 16 2.966 -0.192 -14.345
99 H GLU 17 H GLU 17 3.398 0.470 -9.178
100 HA GLU 17 HA GLU 17 6.168 0.211 -9.925
101 HB2 GLU 17 1HB GLU 17 4.864 1.556 -7.553
102 HB3 GLU 17 2HB GLU 17 6.576 1.651 -7.941
103 HG2 GLU 17 1HG GLU 17 4.334 2.632 -9.693
104 HG3 GLU 17 2HG GLU 17 5.345 3.639 -8.657
105 H CYS 18 H CYS 18 4.208 -0.719 -7.103
106 HA CYS 18 HA CYS 18 6.363 -2.542 -6.283
107 HB2 CYS 18 1HB CYS 18 5.070 -2.618 -4.101
108 HB3 CYS 18 2HB CYS 18 5.811 -1.071 -4.500
109 H GLY 19 H GLY 19 2.866 -2.373 -6.834
110 HA2 GLY 19 1HA GLY 19 1.806 -4.202 -8.033
111 HA3 GLY 19 2HA GLY 19 2.891 -5.302 -7.196
112 H LYS 20 H LYS 20 1.596 -2.769 -5.297
113 HA LYS 20 HA LYS 20 0.371 -4.492 -3.463
114 HB2 LYS 20 1HB LYS 20 0.148 -1.531 -3.949
115 HB3 LYS 20 2HB LYS 20 -0.781 -2.323 -2.683
116 HG2 LYS 20 1HG LYS 20 2.213 -2.503 -2.887
117 HG3 LYS 20 2HG LYS 20 1.371 -1.265 -1.951
118 HD2 LYS 20 1HD LYS 20 1.563 -2.765 -0.278
119 HD3 LYS 20 2HD LYS 20 0.147 -3.497 -1.037
120 HE2 LYS 20 1HE LYS 20 1.452 -5.345 -0.980
121 HE3 LYS 20 2HE LYS 20 2.071 -4.667 -2.484
122 HZ1 LYS 20 3HZ LYS 20 3.908 -3.712 -1.306
123 HZ2 LYS 20 1HZ LYS 20 3.829 -5.359 -0.925
124 HZ3 LYS 20 2HZ LYS 20 3.283 -4.206 0.186
125 H GLY 21 H GLY 21 -2.079 -3.789 -2.801
126 HA2 GLY 21 1HA GLY 21 -3.770 -3.847 -5.194
127 HA3 GLY 21 2HA GLY 21 -3.888 -5.198 -4.076
128 H TYR 22 H TYR 22 -5.392 -2.475 -4.950
129 HA TYR 22 HA TYR 22 -6.414 -1.985 -2.230
130 HB2 TYR 22 1HB TYR 22 -5.923 -0.044 -4.482
131 HB3 TYR 22 2HB TYR 22 -7.001 0.335 -3.144
132 HD1 TYR 22 HD2 TYR 22 -3.499 -0.452 -4.031
133 HD2 TYR 22 HD1 TYR 22 -6.146 0.995 -1.030
134 HE1 TYR 22 HE2 TYR 22 -1.571 0.298 -2.700
135 HE2 TYR 22 HE1 TYR 22 -4.226 1.750 0.308
136 HH TYR 22 HH TYR 22 -1.018 0.821 -0.393
137 H LYS 23 H LYS 23 -8.541 -2.224 -1.929
138 HA LYS 23 HA LYS 23 -10.198 -3.525 -3.690
139 HB2 LYS 23 1HB LYS 23 -10.673 -3.274 -1.292
140 HB3 LYS 23 2HB LYS 23 -11.021 -1.568 -1.536
141 HG2 LYS 23 1HG LYS 23 -12.557 -3.546 -3.130
142 HG3 LYS 23 2HG LYS 23 -12.935 -3.376 -1.414
143 HD2 LYS 23 1HD LYS 23 -12.755 -0.999 -3.243
144 HD3 LYS 23 2HD LYS 23 -14.247 -1.926 -3.064
145 HE2 LYS 23 1HE LYS 23 -12.734 -0.677 -0.775
146 HE3 LYS 23 2HE LYS 23 -14.101 0.081 -1.590
147 HZ1 LYS 23 3HZ LYS 23 -14.058 -2.199 0.237
148 HZ2 LYS 23 1HZ LYS 23 -15.205 -2.221 -1.006
149 HZ3 LYS 23 2HZ LYS 23 -15.184 -0.943 0.101
150 H ARG 24 H ARG 24 -9.943 -0.022 -3.166
151 HA ARG 24 HA ARG 24 -11.459 0.374 -5.662
152 HB2 ARG 24 1HB ARG 24 -12.690 1.287 -3.807
153 HB3 ARG 24 2HB ARG 24 -11.265 2.129 -3.213
154 HG2 ARG 24 1HG ARG 24 -11.394 3.769 -4.813
155 HG3 ARG 24 2HG ARG 24 -12.279 2.743 -5.945
156 HD2 ARG 24 1HD ARG 24 -13.448 3.708 -3.345
157 HD3 ARG 24 2HD ARG 24 -13.600 4.605 -4.855
158 HE ARG 24 HE ARG 24 -14.465 2.017 -5.358
159 HH11 ARG 24 1HH1 ARG 24 -15.388 4.712 -3.356
160 HH12 ARG 24 2HH1 ARG 24 -17.071 4.303 -3.355
161 HH21 ARG 24 1HH2 ARG 24 -16.678 1.468 -5.364
162 HH22 ARG 24 2HH2 ARG 24 -17.804 2.457 -4.497
163 H ARG 25 H ARG 25 -10.549 1.531 -7.269
164 HA ARG 25 HA ARG 25 -7.819 1.884 -7.453
165 HB2 ARG 25 1HB ARG 25 -8.204 3.052 -9.470
166 HB3 ARG 25 2HB ARG 25 -9.547 1.927 -9.320
167 HG2 ARG 25 1HG ARG 25 -10.917 3.788 -8.394
168 HG3 ARG 25 2HG ARG 25 -9.579 4.882 -8.756
169 HD2 ARG 25 1HD ARG 25 -9.722 4.094 -11.140
170 HD3 ARG 25 2HD ARG 25 -11.210 3.258 -10.698
171 HE ARG 25 HE ARG 25 -12.302 5.275 -10.678
172 HH11 ARG 25 1HH1 ARG 25 -8.864 5.822 -10.726
173 HH12 ARG 25 2HH1 ARG 25 -9.008 7.527 -10.996
174 HH21 ARG 25 1HH2 ARG 25 -12.504 7.519 -11.034
175 HH22 ARG 25 2HH2 ARG 25 -11.078 8.491 -11.170
176 H LEU 26 H LEU 26 -10.283 4.255 -6.519
177 HA LEU 26 HA LEU 26 -8.866 6.569 -6.381
178 HB2 LEU 26 1HB LEU 26 -11.301 5.904 -5.602
179 HB3 LEU 26 2HB LEU 26 -10.534 5.878 -4.016
180 HG LEU 26 HG LEU 26 -11.686 8.010 -4.541
181 HD11 LEU 26 1HD1 LEU 26 -8.699 8.130 -4.165
182 HD12 LEU 26 2HD1 LEU 26 -9.924 8.007 -2.904
183 HD13 LEU 26 3HD1 LEU 26 -9.805 9.473 -3.876
184 HD21 LEU 26 3HD2 LEU 26 -9.476 8.710 -6.413
185 HD22 LEU 26 1HD2 LEU 26 -11.101 9.384 -6.280
186 HD23 LEU 26 2HD2 LEU 26 -10.861 7.804 -7.026
187 H ASP 27 H ASP 27 -8.970 4.082 -3.837
188 HA ASP 27 HA ASP 27 -7.241 5.331 -2.035
189 HB2 ASP 27 1HB ASP 27 -7.898 2.432 -2.531
190 HB3 ASP 27 2HB ASP 27 -6.789 2.929 -1.256
191 H LEU 28 H LEU 28 -6.528 2.980 -4.605
192 HA LEU 28 HA LEU 28 -3.777 2.774 -4.164
193 HB2 LEU 28 1HB LEU 28 -4.732 1.178 -5.578
194 HB3 LEU 28 2HB LEU 28 -5.506 2.402 -6.582
195 HG LEU 28 HG LEU 28 -2.952 3.009 -7.082
196 HD11 LEU 28 1HD1 LEU 28 -1.541 1.117 -7.164
197 HD12 LEU 28 2HD1 LEU 28 -2.858 0.022 -6.744
198 HD13 LEU 28 3HD1 LEU 28 -2.227 1.146 -5.540
199 HD21 LEU 28 3HD2 LEU 28 -4.710 2.475 -8.718
200 HD22 LEU 28 1HD2 LEU 28 -4.452 0.756 -8.414
201 HD23 LEU 28 2HD2 LEU 28 -3.165 1.727 -9.129
202 H ASP 29 H ASP 29 -5.547 4.888 -6.415
203 HA ASP 29 HA ASP 29 -3.455 6.209 -7.599
204 HB2 ASP 29 1HB ASP 29 -6.076 6.471 -7.825
205 HB3 ASP 29 2HB ASP 29 -5.814 7.826 -6.731
206 H PHE 30 H PHE 30 -4.758 6.660 -4.377
207 HA PHE 30 HA PHE 30 -3.232 9.040 -3.850
208 HB2 PHE 30 1HB PHE 30 -5.477 8.150 -2.757
209 HB3 PHE 30 2HB PHE 30 -4.356 7.373 -1.644
210 HD1 PHE 30 HD1 PHE 30 -2.690 8.818 -0.413
211 HD2 PHE 30 HD2 PHE 30 -6.011 10.414 -2.544
212 HE1 PHE 30 HE1 PHE 30 -2.490 10.917 0.854
213 HE2 PHE 30 HE2 PHE 30 -5.815 12.516 -1.281
214 HZ PHE 30 HZ PHE 30 -4.053 12.770 0.420
215 H HIS 31 H HIS 31 -2.712 5.644 -3.636
216 HA HIS 31 HA HIS 31 -0.645 5.709 -1.666
217 HB2 HIS 31 1HB HIS 31 -1.518 3.590 -1.801
218 HB3 HIS 31 2HB HIS 31 -1.756 3.682 -3.543
219 HD1 HIS 31 HD1 HIS 31 0.970 3.088 -0.997
220 HD2 HIS 31 HD2 HIS 31 0.242 2.562 -5.053
221 HE1 HIS 31 HE1 HIS 31 2.900 1.723 -1.855
222 H GLN 32 H GLN 32 -0.654 5.464 -5.214
223 HA GLN 32 HA GLN 32 1.997 5.210 -5.765
224 HB2 GLN 32 1HB GLN 32 -0.079 6.900 -7.153
225 HB3 GLN 32 2HB GLN 32 1.538 6.664 -7.802
226 HG2 GLN 32 1HG GLN 32 1.184 4.398 -8.195
227 HG3 GLN 32 2HG GLN 32 -0.203 4.332 -7.108
228 HE21 GLN 32 1HE2 GLN 32 -1.625 3.507 -8.579
229 HE22 GLN 32 2HE2 GLN 32 -2.189 4.388 -9.954
230 H ARG 33 H ARG 33 0.453 7.897 -4.273
231 HA ARG 33 HA ARG 33 2.022 10.054 -4.864
232 HB2 ARG 33 1HB ARG 33 0.779 9.182 -2.266
233 HB3 ARG 33 2HB ARG 33 1.670 10.693 -2.392
234 HG2 ARG 33 1HG ARG 33 0.091 11.188 -4.376
235 HG3 ARG 33 2HG ARG 33 -0.910 9.913 -3.679
236 HD2 ARG 33 1HD ARG 33 -1.702 11.953 -2.777
237 HD3 ARG 33 2HD ARG 33 -0.781 11.166 -1.496
238 HE ARG 33 HE ARG 33 1.013 12.811 -2.753
239 HH11 ARG 33 1HH1 ARG 33 -2.059 13.223 -1.167
240 HH12 ARG 33 2HH1 ARG 33 -1.714 14.835 -0.634
241 HH21 ARG 33 1HH2 ARG 33 1.478 14.932 -2.057
242 HH22 ARG 33 2HH2 ARG 33 0.297 15.807 -1.141
243 H VAL 34 H VAL 34 2.863 7.265 -2.937
244 HA VAL 34 HA VAL 34 5.254 8.389 -1.831
245 HB VAL 34 HB VAL 34 5.737 6.205 -0.986
246 HG11 VAL 34 1HG1 VAL 34 2.844 6.982 -0.918
247 HG12 VAL 34 2HG1 VAL 34 3.427 5.567 -0.039
248 HG13 VAL 34 3HG1 VAL 34 4.075 7.166 0.331
249 HG21 VAL 34 3HG2 VAL 34 5.312 4.954 -3.059
250 HG22 VAL 34 1HG2 VAL 34 4.530 4.209 -1.666
251 HG23 VAL 34 2HG2 VAL 34 3.577 5.152 -2.812
252 H HIS 35 H HIS 35 4.466 6.416 -4.638
253 HA HIS 35 HA HIS 35 7.177 5.876 -5.356
254 HB2 HIS 35 1HB HIS 35 4.586 5.673 -6.894
255 HB3 HIS 35 2HB HIS 35 6.144 5.199 -7.563
256 HD1 HIS 35 HD1 HIS 35 7.414 3.264 -6.094
257 HD2 HIS 35 HD2 HIS 35 3.317 3.690 -5.550
258 HE1 HIS 35 HE1 HIS 35 6.651 1.118 -5.028
259 H THR 36 H THR 36 4.855 8.382 -6.122
260 HA THR 36 HA THR 36 6.475 9.533 -8.213
261 HB THR 36 HB THR 36 4.790 11.458 -7.976
262 HG1 THR 36 HG1 THR 36 3.304 9.518 -6.530
263 HG21 THR 36 3HG2 THR 36 3.431 10.439 -9.501
264 HG22 THR 36 1HG2 THR 36 3.304 8.953 -8.561
265 HG23 THR 36 2HG2 THR 36 4.758 9.278 -9.504
266 H GLY 37 H GLY 37 5.383 10.691 -5.012
267 HA2 GLY 37 1HA GLY 37 6.352 12.145 -3.524
268 HA3 GLY 37 2HA GLY 37 7.892 11.589 -4.161
269 H GLU 38 H GLU 38 8.752 13.696 -3.921
270 HA GLU 38 HA GLU 38 7.650 15.720 -5.744
271 HB2 GLU 38 1HB GLU 38 8.140 16.124 -3.202
272 HB3 GLU 38 2HB GLU 38 9.803 16.296 -3.743
273 HG2 GLU 38 1HG GLU 38 8.958 18.022 -5.380
274 HG3 GLU 38 2HG GLU 38 7.429 17.965 -4.506
275 H LYS 39 H LYS 39 8.709 16.276 -7.535
276 HA LYS 39 HA LYS 39 11.574 15.694 -7.752
277 HB2 LYS 39 1HB LYS 39 10.555 13.791 -8.799
278 HB3 LYS 39 2HB LYS 39 9.439 14.811 -9.697
279 HG2 LYS 39 1HG LYS 39 11.651 15.819 -10.684
280 HG3 LYS 39 2HG LYS 39 12.322 14.266 -10.181
281 HD2 LYS 39 1HD LYS 39 10.973 13.068 -11.638
282 HD3 LYS 39 2HD LYS 39 9.782 14.365 -11.761
283 HE2 LYS 39 1HE LYS 39 12.589 14.566 -12.838
284 HE3 LYS 39 2HE LYS 39 11.214 14.019 -13.798
285 HZ1 LYS 39 3HZ LYS 39 12.020 16.596 -13.504
286 HZ2 LYS 39 1HZ LYS 39 10.712 16.491 -12.436
287 HZ3 LYS 39 2HZ LYS 39 10.505 16.097 -14.068
288 H LEU 40 H LEU 40 12.530 17.558 -8.203
289 HA LEU 40 HA LEU 40 11.206 19.395 -10.087
290 HB2 LEU 40 1HB LEU 40 12.192 21.263 -8.866
291 HB3 LEU 40 2HB LEU 40 11.116 20.311 -7.846
292 HG LEU 40 HG LEU 40 14.084 19.884 -7.783
293 HD11 LEU 40 1HD1 LEU 40 12.988 22.335 -7.257
294 HD12 LEU 40 2HD1 LEU 40 14.493 21.718 -6.576
295 HD13 LEU 40 3HD1 LEU 40 12.988 21.570 -5.668
296 HD21 LEU 40 3HD2 LEU 40 12.891 19.602 -5.270
297 HD22 LEU 40 1HD2 LEU 40 13.458 18.318 -6.338
298 HD23 LEU 40 2HD2 LEU 40 11.777 18.847 -6.411
299 H SER 41 H SER 41 14.052 17.706 -9.162
300 HA SER 41 HA SER 41 15.683 19.177 -11.105
301 HB2 SER 41 1HB SER 41 17.597 17.976 -10.111
302 HB3 SER 41 2HB SER 41 16.681 18.857 -8.889
303 HG SER 41 HG SER 41 16.414 16.089 -9.465
304 H GLY 42 H GLY 42 17.226 17.771 -12.405
305 HA2 GLY 42 1HA GLY 42 17.138 15.197 -13.062
306 HA3 GLY 42 2HA GLY 42 15.621 15.747 -13.757
307 HA PRO 43 HA PRO 43 19.094 18.104 -16.159
308 HB2 PRO 43 1HB PRO 43 21.654 17.358 -15.648
309 HB3 PRO 43 2HB PRO 43 20.834 18.649 -14.761
310 HG2 PRO 43 1HG PRO 43 21.270 15.794 -13.976
311 HG3 PRO 43 2HG PRO 43 21.433 17.261 -12.994
312 HD2 PRO 43 1HD PRO 43 19.252 15.662 -12.871
313 HD3 PRO 43 2HD PRO 43 19.164 17.417 -12.624
314 H SER 44 H SER 44 19.665 14.728 -15.313
315 HA SER 44 HA SER 44 20.485 14.131 -18.055
316 HB2 SER 44 1HB SER 44 20.649 12.659 -15.449
317 HB3 SER 44 2HB SER 44 20.724 11.755 -16.962
318 HG SER 44 HG SER 44 22.376 13.610 -17.412
319 H SER 45 H SER 45 19.072 13.431 -19.503
320 HA SER 45 HA SER 45 16.727 11.913 -18.596
321 HB2 SER 45 1HB SER 45 15.786 14.058 -18.930
322 HB3 SER 45 2HB SER 45 16.743 14.342 -20.384
323 HG SER 45 HG SER 45 15.515 12.732 -21.425
324 H GLY 46 H GLY 46 15.895 10.421 -20.091
325 HA2 GLY 46 1HA GLY 46 16.789 10.144 -22.750
326 HA3 GLY 46 2HA GLY 46 17.775 9.125 -21.711