Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588744 | 2ruz RC | 11479 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 3.017 -16.806 -3.456
2 H2 GLY 1 2H GLY 1 2.954 -17.542 -1.997
3 H3 GLY 1 3H GLY 1 3.305 -15.944 -2.093
4 HA2 GLY 1 1HA GLY 1 1.043 -16.232 -1.343
5 HA3 GLY 1 2HA GLY 1 1.110 -15.438 -2.926
6 H SER 2 H SER 2 -1.216 -16.341 -2.675
7 HA SER 2 HA SER 2 -1.436 -18.798 -4.307
8 HB2 SER 2 1HB SER 2 -3.181 -19.730 -2.831
9 HB3 SER 2 2HB SER 2 -1.599 -19.657 -2.044
10 HG SER 2 HG SER 2 -3.285 -18.910 -0.672
11 H SER 3 H SER 3 -3.600 -19.109 -5.220
12 HA SER 3 HA SER 3 -4.731 -16.579 -6.147
13 HB2 SER 3 1HB SER 3 -6.066 -18.046 -7.643
14 HB3 SER 3 2HB SER 3 -4.314 -18.262 -7.782
15 HG SER 3 HG SER 3 -5.441 -20.270 -7.697
16 H GLY 4 H GLY 4 -6.924 -16.002 -6.124
17 HA2 GLY 4 1HA GLY 4 -9.100 -17.256 -4.925
18 HA3 GLY 4 2HA GLY 4 -8.315 -16.364 -3.621
19 H SER 5 H SER 5 -10.880 -15.718 -4.288
20 HA SER 5 HA SER 5 -11.120 -13.602 -6.230
21 HB2 SER 5 1HB SER 5 -12.917 -14.302 -3.881
22 HB3 SER 5 2HB SER 5 -13.328 -13.227 -5.231
23 HG SER 5 HG SER 5 -14.106 -15.374 -5.548
24 H SER 6 H SER 6 -10.399 -11.585 -6.093
25 HA SER 6 HA SER 6 -10.660 -9.956 -3.683
26 HB2 SER 6 1HB SER 6 -8.449 -11.236 -3.442
27 HB3 SER 6 2HB SER 6 -7.871 -10.318 -4.845
28 HG SER 6 HG SER 6 -7.368 -9.347 -2.786
29 H GLY 7 H GLY 7 -9.733 -7.710 -4.142
30 HA2 GLY 7 1HA GLY 7 -10.632 -6.659 -6.742
31 HA3 GLY 7 2HA GLY 7 -9.973 -5.742 -5.389
32 H ILE 8 H ILE 8 -9.036 -4.804 -7.571
33 HA ILE 8 HA ILE 8 -6.597 -6.125 -8.539
34 HB ILE 8 HB ILE 8 -7.630 -3.315 -9.053
35 HG12 ILE 8 1HG1 ILE 8 -9.268 -4.864 -9.921
36 HG13 ILE 8 2HG1 ILE 8 -8.382 -4.135 -11.243
37 HG21 ILE 8 1HG2 ILE 8 -5.249 -3.424 -9.497
38 HG22 ILE 8 2HG2 ILE 8 -5.430 -4.933 -10.413
39 HG23 ILE 8 3HG2 ILE 8 -6.105 -3.412 -11.038
40 HD11 ILE 8 3HD1 ILE 8 -7.046 -6.229 -11.509
41 HD12 ILE 8 1HD1 ILE 8 -7.969 -6.967 -10.177
42 HD13 ILE 8 2HD1 ILE 8 -8.787 -6.503 -11.675
43 H LEU 9 H LEU 9 -4.672 -5.982 -7.634
44 HA LEU 9 HA LEU 9 -4.264 -4.533 -5.169
45 HB2 LEU 9 1HB LEU 9 -2.463 -6.235 -6.927
46 HB3 LEU 9 2HB LEU 9 -1.830 -5.361 -5.553
47 HG LEU 9 HG LEU 9 -2.181 -7.661 -4.990
48 HD11 LEU 9 1HD1 LEU 9 -4.240 -5.987 -3.512
49 HD12 LEU 9 2HD1 LEU 9 -2.479 -5.929 -3.230
50 HD13 LEU 9 3HD1 LEU 9 -3.383 -7.417 -2.915
51 HD21 LEU 9 3HD2 LEU 9 -5.168 -7.274 -5.373
52 HD22 LEU 9 1HD2 LEU 9 -4.330 -8.732 -4.822
53 HD23 LEU 9 2HD2 LEU 9 -4.104 -8.170 -6.487
54 H LEU 10 H LEU 10 -3.296 -2.735 -4.707
55 HA LEU 10 HA LEU 10 -1.912 -1.076 -6.764
56 HB2 LEU 10 1HB LEU 10 -2.943 -0.254 -4.025
57 HB3 LEU 10 2HB LEU 10 -2.351 0.799 -5.309
58 HG LEU 10 HG LEU 10 -4.942 -0.819 -5.393
59 HD11 LEU 10 1HD1 LEU 10 -4.979 1.032 -3.784
60 HD12 LEU 10 2HD1 LEU 10 -6.034 1.359 -5.167
61 HD13 LEU 10 3HD1 LEU 10 -4.452 2.166 -5.049
62 HD21 LEU 10 3HD2 LEU 10 -5.457 0.538 -7.399
63 HD22 LEU 10 1HD2 LEU 10 -4.037 -0.481 -7.664
64 HD23 LEU 10 2HD2 LEU 10 -3.830 1.256 -7.338
65 H LYS 11 H LYS 11 0.194 -0.290 -6.210
66 HA LYS 11 HA LYS 11 1.610 -1.903 -4.103
67 HB2 LYS 11 1HB LYS 11 2.568 -1.172 -6.895
68 HB3 LYS 11 2HB LYS 11 3.519 -2.002 -5.658
69 HG2 LYS 11 1HG LYS 11 1.864 -3.869 -5.647
70 HG3 LYS 11 2HG LYS 11 0.962 -3.065 -6.944
71 HD2 LYS 11 1HD LYS 11 2.960 -3.185 -8.412
72 HD3 LYS 11 2HD LYS 11 3.859 -4.005 -7.115
73 HE2 LYS 11 1HE LYS 11 2.188 -5.846 -7.128
74 HE3 LYS 11 2HE LYS 11 1.293 -5.030 -8.416
75 HZ1 LYS 11 3HZ LYS 11 3.256 -5.275 -9.844
76 HZ2 LYS 11 1HZ LYS 11 2.771 -6.738 -9.311
77 HZ3 LYS 11 2HZ LYS 11 4.083 -6.030 -8.653
78 H CYS 12 H CYS 12 3.312 -1.059 -3.017
79 HA CYS 12 HA CYS 12 3.385 1.759 -2.539
80 HB2 CYS 12 1HB CYS 12 3.850 -0.025 -0.912
81 HB3 CYS 12 2HB CYS 12 5.340 -0.432 -1.788
82 HA PRO 13 HA PRO 13 6.249 2.699 -5.915
83 HB2 PRO 13 1HB PRO 13 6.415 5.389 -5.668
84 HB3 PRO 13 2HB PRO 13 4.877 4.587 -6.111
85 HG2 PRO 13 1HG PRO 13 5.767 5.499 -3.348
86 HG3 PRO 13 2HG PRO 13 4.218 5.858 -4.181
87 HD2 PRO 13 1HD PRO 13 4.504 3.791 -2.397
88 HD3 PRO 13 2HD PRO 13 3.406 3.687 -3.807
89 H THR 14 H THR 14 7.061 2.785 -2.610
90 HA THR 14 HA THR 14 9.489 4.359 -2.778
91 HB THR 14 HB THR 14 8.652 2.530 -0.507
92 HG1 THR 14 1HG THR 14 6.989 3.892 -0.766
93 HG21 THR 14 3HG2 THR 14 10.927 3.364 -0.226
94 HG22 THR 14 1HG2 THR 14 9.858 4.258 0.855
95 HG23 THR 14 2HG2 THR 14 10.415 5.018 -0.647
96 H ASP 15 H ASP 15 11.621 3.757 -2.864
97 HA ASP 15 HA ASP 15 12.344 1.263 -4.051
98 HB2 ASP 15 1HB ASP 15 14.034 3.380 -2.667
99 HB3 ASP 15 2HB ASP 15 14.686 2.007 -3.557
100 H GLY 16 H GLY 16 13.117 -0.625 -3.268
101 HA2 GLY 16 1HA GLY 16 13.798 -2.269 -1.803
102 HA3 GLY 16 2HA GLY 16 14.016 -1.057 -0.543
103 H CYS 17 H CYS 17 10.892 -0.559 -1.445
104 HA CYS 17 HA CYS 17 9.746 -2.218 0.701
105 HB2 CYS 17 1HB CYS 17 9.346 0.254 0.334
106 HB3 CYS 17 2HB CYS 17 8.365 -0.198 -1.070
107 H ASP 18 H ASP 18 7.853 -3.442 0.366
108 HA ASP 18 HA ASP 18 7.525 -4.762 -2.296
109 HB2 ASP 18 1HB ASP 18 9.213 -5.955 -0.841
110 HB3 ASP 18 2HB ASP 18 7.927 -6.242 0.330
111 H TYR 19 H TYR 19 5.941 -3.034 -0.114
112 HA TYR 19 HA TYR 19 3.700 -4.677 0.635
113 HB2 TYR 19 1HB TYR 19 4.450 -2.842 1.996
114 HB3 TYR 19 2HB TYR 19 4.225 -1.701 0.687
115 HD1 TYR 19 2HD TYR 19 2.530 -3.778 3.243
116 HD2 TYR 19 1HD TYR 19 1.967 -0.849 0.119
117 HE1 TYR 19 2HE TYR 19 0.225 -3.332 4.070
118 HE2 TYR 19 1HE TYR 19 -0.319 -0.397 0.964
119 HH TYR 19 HH TYR 19 -1.685 -2.103 3.805
120 H SER 20 H SER 20 1.679 -4.860 -0.131
121 HA SER 20 HA SER 20 0.654 -3.084 -2.198
122 HB2 SER 20 1HB SER 20 -0.113 -4.856 -3.701
123 HB3 SER 20 2HB SER 20 1.653 -4.836 -3.583
124 HG SER 20 HG SER 20 1.555 -6.613 -2.195
125 H THR 21 H THR 21 -1.625 -3.132 -2.443
126 HA THR 21 HA THR 21 -3.303 -4.689 -0.604
127 HB THR 21 HB THR 21 -2.520 -3.018 0.933
128 HG1 THR 21 1HG THR 21 -4.426 -2.321 1.591
129 HG21 THR 21 3HG2 THR 21 -2.872 -0.623 0.643
130 HG22 THR 21 1HG2 THR 21 -3.532 -0.875 -0.985
131 HG23 THR 21 2HG2 THR 21 -1.826 -1.218 -0.653
132 HA PRO 22 HA PRO 22 -6.121 -3.552 -3.916
133 HB2 PRO 22 1HB PRO 22 -8.520 -4.430 -2.990
134 HB3 PRO 22 2HB PRO 22 -7.193 -5.548 -3.432
135 HG2 PRO 22 1HG PRO 22 -7.902 -4.507 -0.665
136 HG3 PRO 22 2HG PRO 22 -7.641 -6.210 -1.169
137 HD2 PRO 22 1HD PRO 22 -5.671 -4.719 -0.023
138 HD3 PRO 22 2HD PRO 22 -5.304 -5.906 -1.300
139 H ASP 23 H ASP 23 -6.047 -1.917 -0.915
140 HA ASP 23 HA ASP 23 -8.284 -0.076 -1.661
141 HB2 ASP 23 1HB ASP 23 -8.335 -1.400 0.562
142 HB3 ASP 23 2HB ASP 23 -6.999 -0.404 1.027
143 H LYS 24 H LYS 24 -7.878 1.975 -2.208
144 HA LYS 24 HA LYS 24 -5.232 3.041 -2.435
145 HB2 LYS 24 1HB LYS 24 -6.310 5.076 -3.194
146 HB3 LYS 24 2HB LYS 24 -7.057 3.662 -3.937
147 HG2 LYS 24 1HG LYS 24 -8.935 3.807 -2.278
148 HG3 LYS 24 2HG LYS 24 -8.203 5.265 -1.601
149 HD2 LYS 24 1HD LYS 24 -9.115 4.996 -4.494
150 HD3 LYS 24 2HD LYS 24 -10.100 5.660 -3.181
151 HE2 LYS 24 1HE LYS 24 -8.335 7.383 -2.750
152 HE3 LYS 24 2HE LYS 24 -7.430 6.777 -4.144
153 HZ1 LYS 24 3HZ LYS 24 -9.347 7.352 -5.545
154 HZ2 LYS 24 1HZ LYS 24 -8.821 8.675 -4.748
155 HZ3 LYS 24 2HZ LYS 24 -10.175 7.912 -4.251
156 H TYR 25 H TYR 25 -7.549 3.350 0.223
157 HA TYR 25 HA TYR 25 -6.044 5.569 1.446
158 HB2 TYR 25 1HB TYR 25 -8.407 4.018 2.542
159 HB3 TYR 25 2HB TYR 25 -7.739 5.517 3.165
160 HD1 TYR 25 1HD TYR 25 -7.704 7.584 1.568
161 HD2 TYR 25 2HD TYR 25 -10.135 4.079 0.906
162 HE1 TYR 25 1HE TYR 25 -9.148 8.883 0.013
163 HE2 TYR 25 2HE TYR 25 -11.586 5.386 -0.649
164 HH TYR 25 HH TYR 25 -10.980 8.849 -1.363
165 H LYS 26 H LYS 26 -6.429 2.033 1.891
166 HA LYS 26 HA LYS 26 -4.677 1.845 4.200
167 HB2 LYS 26 1HB LYS 26 -5.099 -0.185 1.977
168 HB3 LYS 26 2HB LYS 26 -4.316 -0.495 3.514
169 HG2 LYS 26 1HG LYS 26 -6.420 0.085 4.722
170 HG3 LYS 26 2HG LYS 26 -7.243 0.285 3.186
171 HD2 LYS 26 1HD LYS 26 -6.647 -2.106 2.617
172 HD3 LYS 26 2HD LYS 26 -5.956 -2.286 4.229
173 HE2 LYS 26 1HE LYS 26 -8.857 -1.530 3.631
174 HE3 LYS 26 2HE LYS 26 -8.299 -3.171 3.962
175 HZ1 LYS 26 3HZ LYS 26 -8.122 -0.903 5.875
176 HZ2 LYS 26 1HZ LYS 26 -7.569 -2.416 6.165
177 HZ3 LYS 26 2HZ LYS 26 -9.165 -2.152 5.968
178 H LEU 27 H LEU 27 -3.985 1.916 0.680
179 HA LEU 27 HA LEU 27 -1.158 1.671 0.961
180 HB2 LEU 27 1HB LEU 27 -2.390 1.368 -1.171
181 HB3 LEU 27 2HB LEU 27 -2.753 3.092 -1.192
182 HG LEU 27 HG LEU 27 -0.364 3.640 -1.417
183 HD11 LEU 27 1HD1 LEU 27 0.077 0.619 -1.415
184 HD12 LEU 27 2HD1 LEU 27 0.715 1.788 -0.227
185 HD13 LEU 27 3HD1 LEU 27 1.281 1.834 -1.892
186 HD21 LEU 27 3HD2 LEU 27 -1.740 3.183 -3.441
187 HD22 LEU 27 1HD2 LEU 27 -1.207 1.486 -3.387
188 HD23 LEU 27 2HD2 LEU 27 -0.029 2.782 -3.675
189 H GLN 28 H GLN 28 -3.165 4.695 0.780
190 HA GLN 28 HA GLN 28 -1.028 6.540 1.159
191 HB2 GLN 28 1HB GLN 28 -3.954 6.596 1.994
192 HB3 GLN 28 2HB GLN 28 -2.887 7.967 2.248
193 HG2 GLN 28 1HG GLN 28 -3.336 6.718 -0.498
194 HG3 GLN 28 2HG GLN 28 -4.326 8.009 0.166
195 HE21 GLN 28 1HE2 GLN 28 -3.145 8.580 -2.202
196 HE22 GLN 28 2HE2 GLN 28 -1.776 9.656 -1.959
197 H ALA 29 H ALA 29 -2.997 4.858 3.647
198 HA ALA 29 HA ALA 29 -1.610 5.884 5.913
199 HB1 ALA 29 1HB ALA 29 -2.641 4.002 7.105
200 HB2 ALA 29 2HB ALA 29 -3.804 4.758 5.998
201 HB3 ALA 29 3HB ALA 29 -3.036 3.214 5.564
202 H HIS 30 H HIS 30 -0.648 3.278 3.684
203 HA HIS 30 HA HIS 30 1.635 2.462 5.352
204 HB2 HIS 30 1HB HIS 30 0.603 0.808 3.942
205 HB3 HIS 30 2HB HIS 30 0.810 1.802 2.504
206 HD1 HIS 30 1HD HIS 30 2.952 -0.264 4.954
207 HD2 HIS 30 2HD HIS 30 3.169 1.841 1.325
208 HE1 HIS 30 1HE HIS 30 5.264 -0.738 4.023
209 H LEU 31 H LEU 31 1.189 4.737 2.562
210 HA LEU 31 HA LEU 31 3.959 5.252 2.144
211 HB2 LEU 31 1HB LEU 31 1.699 7.267 1.956
212 HB3 LEU 31 2HB LEU 31 3.299 7.436 1.260
213 HG LEU 31 HG LEU 31 1.116 5.526 0.389
214 HD11 LEU 31 1HD1 LEU 31 0.941 7.861 -0.369
215 HD12 LEU 31 2HD1 LEU 31 1.250 6.744 -1.709
216 HD13 LEU 31 3HD1 LEU 31 2.569 7.751 -1.072
217 HD21 LEU 31 3HD2 LEU 31 3.223 4.290 0.183
218 HD22 LEU 31 1HD2 LEU 31 3.972 5.676 -0.647
219 HD23 LEU 31 2HD2 LEU 31 2.630 4.780 -1.401
220 H LYS 32 H LYS 32 1.815 6.526 4.651
221 HA LYS 32 HA LYS 32 3.555 8.430 5.860
222 HB2 LYS 32 1HB LYS 32 1.419 6.649 7.091
223 HB3 LYS 32 2HB LYS 32 2.210 7.987 7.928
224 HG2 LYS 32 1HG LYS 32 1.384 9.587 6.255
225 HG3 LYS 32 2HG LYS 32 0.586 8.280 5.363
226 HD2 LYS 32 1HD LYS 32 -0.784 7.756 7.381
227 HD3 LYS 32 2HD LYS 32 -0.057 9.124 8.228
228 HE2 LYS 32 1HE LYS 32 -1.640 9.311 5.618
229 HE3 LYS 32 2HE LYS 32 -2.331 9.562 7.223
230 HZ1 LYS 32 3HZ LYS 32 -0.177 11.225 6.030
231 HZ2 LYS 32 1HZ LYS 32 -0.793 11.430 7.531
232 HZ3 LYS 32 2HZ LYS 32 -1.732 11.672 6.222
233 H VAL 33 H VAL 33 3.840 4.944 5.908
234 HA VAL 33 HA VAL 33 5.559 4.813 8.243
235 HB VAL 33 HB VAL 33 4.143 2.956 6.849
236 HG11 VAL 33 1HG1 VAL 33 5.561 1.334 5.795
237 HG12 VAL 33 2HG1 VAL 33 5.816 2.868 4.953
238 HG13 VAL 33 3HG1 VAL 33 7.023 2.279 6.112
239 HG21 VAL 33 3HG2 VAL 33 5.227 1.275 8.205
240 HG22 VAL 33 1HG2 VAL 33 6.568 2.396 8.564
241 HG23 VAL 33 2HG2 VAL 33 4.915 2.751 9.132
242 H HIS 34 H HIS 34 6.060 5.733 4.968
243 HA HIS 34 HA HIS 34 9.025 5.525 5.166
244 HB2 HIS 34 1HB HIS 34 7.231 6.209 2.809
245 HB3 HIS 34 2HB HIS 34 8.979 6.017 2.765
246 HD1 HIS 34 1HD HIS 34 9.731 3.355 3.736
247 HD2 HIS 34 2HD HIS 34 5.977 4.103 1.993
248 HE1 HIS 34 1HE HIS 34 8.902 1.105 2.905
249 H THR 35 H THR 35 6.414 7.976 4.756
250 HA THR 35 HA THR 35 8.352 10.161 4.570
251 HB THR 35 HB THR 35 6.398 11.628 4.467
252 HG1 THR 35 1HG THR 35 4.354 10.717 4.480
253 HG21 THR 35 3HG2 THR 35 7.205 10.499 2.396
254 HG22 THR 35 1HG2 THR 35 5.466 10.834 2.365
255 HG23 THR 35 2HG2 THR 35 6.043 9.183 2.676
256 H ALA 36 H ALA 36 6.792 8.607 7.243
257 HA ALA 36 HA ALA 36 7.995 10.597 9.088
258 HB1 ALA 36 1HB ALA 36 5.152 9.512 9.304
259 HB2 ALA 36 2HB ALA 36 5.962 10.573 10.476
260 HB3 ALA 36 3HB ALA 36 5.597 11.171 8.848
261 H LEU 37 H LEU 37 8.183 9.768 11.318
262 HA LEU 37 HA LEU 37 8.116 6.886 11.760
263 HB2 LEU 37 1HB LEU 37 10.310 7.262 10.627
264 HB3 LEU 37 2HB LEU 37 10.725 8.462 11.846
265 HG LEU 37 HG LEU 37 10.694 6.687 13.600
266 HD11 LEU 37 1HD1 LEU 37 10.694 4.302 12.887
267 HD12 LEU 37 2HD1 LEU 37 10.240 4.798 11.242
268 HD13 LEU 37 3HD1 LEU 37 9.128 5.060 12.603
269 HD21 LEU 37 3HD2 LEU 37 12.449 6.049 11.194
270 HD22 LEU 37 1HD2 LEU 37 12.754 5.565 12.878
271 HD23 LEU 37 2HD2 LEU 37 12.783 7.279 12.434
272 H ASP 38 H ASP 38 7.821 6.420 13.868
273 HA ASP 38 HA ASP 38 8.293 8.384 16.033
274 HB2 ASP 38 1HB ASP 38 5.999 8.832 15.262
275 HB3 ASP 38 2HB ASP 38 5.581 7.133 15.449
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -11.336 -18.698 -25.145
2 H2 GLY 1 2H GLY 1 -12.190 -17.580 -24.305
3 H3 GLY 1 3H GLY 1 -12.426 -19.175 -24.018
4 HA2 GLY 1 1HA GLY 1 -10.199 -19.423 -23.152
5 HA3 GLY 1 2HA GLY 1 -9.927 -17.701 -23.478
6 H SER 2 H SER 2 -9.733 -19.084 -20.923
7 HA SER 2 HA SER 2 -12.085 -18.546 -19.333
8 HB2 SER 2 1HB SER 2 -9.259 -19.208 -18.444
9 HB3 SER 2 2HB SER 2 -10.736 -19.348 -17.474
10 HG SER 2 HG SER 2 -10.110 -21.360 -18.396
11 H SER 3 H SER 3 -9.535 -16.443 -20.275
12 HA SER 3 HA SER 3 -9.227 -14.849 -17.942
13 HB2 SER 3 1HB SER 3 -8.844 -14.046 -20.848
14 HB3 SER 3 2HB SER 3 -8.168 -13.228 -19.427
15 HG SER 3 HG SER 3 -6.657 -14.666 -20.389
16 H GLY 4 H GLY 4 -9.928 -12.750 -17.432
17 HA2 GLY 4 1HA GLY 4 -11.917 -11.260 -18.870
18 HA3 GLY 4 2HA GLY 4 -12.663 -12.157 -17.544
19 H SER 5 H SER 5 -12.981 -9.571 -17.289
20 HA SER 5 HA SER 5 -10.798 -8.182 -15.962
21 HB2 SER 5 1HB SER 5 -12.492 -6.401 -15.607
22 HB3 SER 5 2HB SER 5 -12.275 -6.886 -17.296
23 HG SER 5 HG SER 5 -14.495 -6.682 -16.725
24 H SER 6 H SER 6 -10.616 -7.543 -13.848
25 HA SER 6 HA SER 6 -12.419 -8.432 -11.725
26 HB2 SER 6 1HB SER 6 -10.704 -9.802 -10.578
27 HB3 SER 6 2HB SER 6 -11.190 -10.506 -12.123
28 HG SER 6 HG SER 6 -8.911 -10.529 -11.834
29 H GLY 7 H GLY 7 -11.515 -7.818 -9.532
30 HA2 GLY 7 1HA GLY 7 -10.397 -5.143 -9.470
31 HA3 GLY 7 2HA GLY 7 -10.678 -6.199 -8.086
32 H ILE 8 H ILE 8 -8.367 -4.475 -8.670
33 HA ILE 8 HA ILE 8 -6.149 -6.464 -8.879
34 HB ILE 8 HB ILE 8 -4.803 -4.789 -10.003
35 HG12 ILE 8 1HG1 ILE 8 -7.335 -3.102 -10.258
36 HG13 ILE 8 2HG1 ILE 8 -5.986 -2.743 -9.174
37 HG21 ILE 8 1HG2 ILE 8 -5.761 -5.099 -12.197
38 HG22 ILE 8 2HG2 ILE 8 -6.127 -6.528 -11.232
39 HG23 ILE 8 3HG2 ILE 8 -7.389 -5.314 -11.524
40 HD11 ILE 8 3HD1 ILE 8 -4.459 -2.608 -11.144
41 HD12 ILE 8 1HD1 ILE 8 -5.874 -2.800 -12.210
42 HD13 ILE 8 2HD1 ILE 8 -5.753 -1.391 -11.143
43 H LEU 9 H LEU 9 -4.211 -6.017 -7.849
44 HA LEU 9 HA LEU 9 -4.418 -4.598 -5.276
45 HB2 LEU 9 1HB LEU 9 -2.334 -6.366 -6.611
46 HB3 LEU 9 2HB LEU 9 -1.951 -5.437 -5.181
47 HG LEU 9 HG LEU 9 -2.447 -7.778 -4.701
48 HD11 LEU 9 1HD1 LEU 9 -4.502 -5.921 -3.462
49 HD12 LEU 9 2HD1 LEU 9 -2.787 -6.031 -2.982
50 HD13 LEU 9 3HD1 LEU 9 -3.862 -7.418 -2.765
51 HD21 LEU 9 3HD2 LEU 9 -5.353 -7.198 -5.371
52 HD22 LEU 9 1HD2 LEU 9 -4.673 -8.697 -4.718
53 HD23 LEU 9 2HD2 LEU 9 -4.251 -8.190 -6.362
54 H LEU 10 H LEU 10 -3.433 -2.767 -4.727
55 HA LEU 10 HA LEU 10 -1.922 -1.157 -6.726
56 HB2 LEU 10 1HB LEU 10 -2.870 -0.366 -3.950
57 HB3 LEU 10 2HB LEU 10 -2.271 0.692 -5.227
58 HG LEU 10 HG LEU 10 -4.921 -0.828 -5.282
59 HD11 LEU 10 1HD1 LEU 10 -4.312 2.129 -4.896
60 HD12 LEU 10 2HD1 LEU 10 -4.849 0.995 -3.636
61 HD13 LEU 10 3HD1 LEU 10 -5.926 1.382 -4.988
62 HD21 LEU 10 3HD2 LEU 10 -4.054 -0.481 -7.566
63 HD22 LEU 10 1HD2 LEU 10 -3.775 1.240 -7.213
64 HD23 LEU 10 2HD2 LEU 10 -5.428 0.584 -7.250
65 H LYS 11 H LYS 11 0.206 -0.363 -6.106
66 HA LYS 11 HA LYS 11 1.553 -1.889 -3.910
67 HB2 LYS 11 1HB LYS 11 2.524 -1.524 -6.768
68 HB3 LYS 11 2HB LYS 11 3.555 -2.030 -5.425
69 HG2 LYS 11 1HG LYS 11 2.021 -3.971 -5.012
70 HG3 LYS 11 2HG LYS 11 1.089 -3.506 -6.435
71 HD2 LYS 11 1HD LYS 11 2.574 -5.288 -7.071
72 HD3 LYS 11 2HD LYS 11 3.103 -3.805 -7.853
73 HE2 LYS 11 1HE LYS 11 5.050 -4.983 -7.116
74 HE3 LYS 11 2HE LYS 11 4.897 -3.542 -6.116
75 HZ1 LYS 11 3HZ LYS 11 4.043 -4.933 -4.323
76 HZ2 LYS 11 1HZ LYS 11 5.442 -5.585 -4.853
77 HZ3 LYS 11 2HZ LYS 11 4.028 -6.265 -5.286
78 H CYS 12 H CYS 12 3.287 -1.048 -2.934
79 HA CYS 12 HA CYS 12 3.433 1.796 -2.601
80 HB2 CYS 12 1HB CYS 12 3.740 0.074 -0.871
81 HB3 CYS 12 2HB CYS 12 5.242 -0.449 -1.665
82 HA PRO 13 HA PRO 13 6.459 2.393 -5.904
83 HB2 PRO 13 1HB PRO 13 6.689 5.080 -5.876
84 HB3 PRO 13 2HB PRO 13 5.127 4.289 -6.255
85 HG2 PRO 13 1HG PRO 13 6.041 5.409 -3.579
86 HG3 PRO 13 2HG PRO 13 4.500 5.727 -4.439
87 HD2 PRO 13 1HD PRO 13 4.772 3.803 -2.482
88 HD3 PRO 13 2HD PRO 13 3.631 3.635 -3.852
89 H THR 14 H THR 14 7.212 3.011 -2.566
90 HA THR 14 HA THR 14 9.705 4.365 -2.897
91 HB THR 14 HB THR 14 8.711 2.788 -0.499
92 HG1 THR 14 1HG THR 14 7.933 4.823 0.130
93 HG21 THR 14 3HG2 THR 14 11.064 3.401 -0.195
94 HG22 THR 14 1HG2 THR 14 10.061 4.464 0.790
95 HG23 THR 14 2HG2 THR 14 10.736 5.063 -0.740
96 H ASP 15 H ASP 15 11.849 3.695 -2.812
97 HA ASP 15 HA ASP 15 12.443 1.104 -3.871
98 HB2 ASP 15 1HB ASP 15 14.738 1.743 -3.782
99 HB3 ASP 15 2HB ASP 15 13.780 3.095 -4.366
100 H GLY 16 H GLY 16 13.380 -0.707 -3.005
101 HA2 GLY 16 1HA GLY 16 13.943 -2.294 -1.425
102 HA3 GLY 16 2HA GLY 16 14.014 -1.042 -0.186
103 H CYS 17 H CYS 17 11.009 -0.584 -1.405
104 HA CYS 17 HA CYS 17 9.654 -2.370 0.540
105 HB2 CYS 17 1HB CYS 17 9.468 0.184 0.529
106 HB3 CYS 17 2HB CYS 17 8.502 -0.008 -0.948
107 H ASP 18 H ASP 18 7.791 -3.489 -0.065
108 HA ASP 18 HA ASP 18 7.176 -3.910 -2.928
109 HB2 ASP 18 1HB ASP 18 8.999 -5.528 -2.273
110 HB3 ASP 18 2HB ASP 18 7.883 -6.240 -1.107
111 H TYR 19 H TYR 19 5.900 -2.970 -0.221
112 HA TYR 19 HA TYR 19 3.782 -4.682 0.511
113 HB2 TYR 19 1HB TYR 19 4.466 -2.850 1.890
114 HB3 TYR 19 2HB TYR 19 4.167 -1.683 0.619
115 HD1 TYR 19 2HD TYR 19 2.608 -3.805 3.213
116 HD2 TYR 19 1HD TYR 19 1.879 -0.903 0.102
117 HE1 TYR 19 2HE TYR 19 0.321 -3.413 4.109
118 HE2 TYR 19 1HE TYR 19 -0.392 -0.495 1.021
119 HH TYR 19 HH TYR 19 -1.626 -2.231 3.901
120 H SER 20 H SER 20 1.651 -4.859 -0.028
121 HA SER 20 HA SER 20 0.544 -3.305 -2.248
122 HB2 SER 20 1HB SER 20 -0.214 -5.212 -3.522
123 HB3 SER 20 2HB SER 20 1.545 -5.277 -3.353
124 HG SER 20 HG SER 20 1.322 -6.852 -1.763
125 H THR 21 H THR 21 -1.698 -3.266 -2.414
126 HA THR 21 HA THR 21 -3.424 -4.689 -0.534
127 HB THR 21 HB THR 21 -2.570 -2.998 0.968
128 HG1 THR 21 1HG THR 21 -4.470 -2.135 1.582
129 HG21 THR 21 3HG2 THR 21 -3.603 -0.873 -0.960
130 HG22 THR 21 1HG2 THR 21 -1.891 -1.239 -0.680
131 HG23 THR 21 2HG2 THR 21 -2.884 -0.611 0.641
132 HA PRO 22 HA PRO 22 -6.204 -3.539 -3.865
133 HB2 PRO 22 1HB PRO 22 -8.627 -4.316 -2.918
134 HB3 PRO 22 2HB PRO 22 -7.335 -5.488 -3.321
135 HG2 PRO 22 1HG PRO 22 -8.020 -4.340 -0.589
136 HG3 PRO 22 2HG PRO 22 -7.811 -6.065 -1.040
137 HD2 PRO 22 1HD PRO 22 -5.797 -4.611 0.066
138 HD3 PRO 22 2HD PRO 22 -5.467 -5.840 -1.180
139 H ASP 23 H ASP 23 -6.189 -1.880 -0.839
140 HA ASP 23 HA ASP 23 -8.335 0.015 -1.708
141 HB2 ASP 23 1HB ASP 23 -8.449 -1.326 0.552
142 HB3 ASP 23 2HB ASP 23 -7.226 -0.203 1.061
143 H LYS 24 H LYS 24 -7.870 2.079 -2.202
144 HA LYS 24 HA LYS 24 -5.171 3.053 -2.298
145 HB2 LYS 24 1HB LYS 24 -6.106 5.102 -3.138
146 HB3 LYS 24 2HB LYS 24 -6.908 3.724 -3.889
147 HG2 LYS 24 1HG LYS 24 -8.849 4.038 -2.305
148 HG3 LYS 24 2HG LYS 24 -8.036 5.475 -1.649
149 HD2 LYS 24 1HD LYS 24 -8.063 6.518 -3.899
150 HD3 LYS 24 2HD LYS 24 -8.895 5.083 -4.549
151 HE2 LYS 24 1HE LYS 24 -10.770 5.471 -2.957
152 HE3 LYS 24 2HE LYS 24 -9.938 6.901 -2.334
153 HZ1 LYS 24 3HZ LYS 24 -10.116 7.891 -4.556
154 HZ2 LYS 24 1HZ LYS 24 -11.596 7.512 -3.986
155 HZ3 LYS 24 2HZ LYS 24 -10.899 6.574 -5.126
156 H TYR 25 H TYR 25 -7.637 3.428 0.226
157 HA TYR 25 HA TYR 25 -6.144 5.565 1.579
158 HB2 TYR 25 1HB TYR 25 -8.486 3.892 2.545
159 HB3 TYR 25 2HB TYR 25 -7.826 5.312 3.335
160 HD1 TYR 25 1HD TYR 25 -7.833 7.558 2.053
161 HD2 TYR 25 2HD TYR 25 -10.180 4.136 0.868
162 HE1 TYR 25 1HE TYR 25 -9.337 9.045 0.741
163 HE2 TYR 25 2HE TYR 25 -11.698 5.630 -0.427
164 HH TYR 25 HH TYR 25 -11.195 9.176 -0.599
165 H LYS 26 H LYS 26 -6.397 2.022 1.817
166 HA LYS 26 HA LYS 26 -4.734 1.712 4.177
167 HB2 LYS 26 1HB LYS 26 -5.192 -0.172 1.861
168 HB3 LYS 26 2HB LYS 26 -4.307 -0.554 3.339
169 HG2 LYS 26 1HG LYS 26 -6.346 -0.021 4.699
170 HG3 LYS 26 2HG LYS 26 -7.239 0.297 3.229
171 HD2 LYS 26 1HD LYS 26 -7.789 -1.890 3.937
172 HD3 LYS 26 2HD LYS 26 -6.764 -2.064 2.501
173 HE2 LYS 26 1HE LYS 26 -4.804 -2.523 3.994
174 HE3 LYS 26 2HE LYS 26 -5.857 -2.360 5.403
175 HZ1 LYS 26 3HZ LYS 26 -7.136 -4.268 4.577
176 HZ2 LYS 26 1HZ LYS 26 -5.572 -4.687 4.774
177 HZ3 LYS 26 2HZ LYS 26 -6.157 -4.416 3.275
178 H LEU 27 H LEU 27 -3.991 1.919 0.668
179 HA LEU 27 HA LEU 27 -1.166 1.688 0.984
180 HB2 LEU 27 1HB LEU 27 -2.387 1.395 -1.166
181 HB3 LEU 27 2HB LEU 27 -2.727 3.125 -1.182
182 HG LEU 27 HG LEU 27 -0.326 3.641 -1.368
183 HD11 LEU 27 1HD1 LEU 27 0.074 0.613 -1.382
184 HD12 LEU 27 2HD1 LEU 27 0.711 1.764 -0.179
185 HD13 LEU 27 3HD1 LEU 27 1.303 1.813 -1.834
186 HD21 LEU 27 3HD2 LEU 27 -1.176 1.517 -3.367
187 HD22 LEU 27 1HD2 LEU 27 0.030 2.793 -3.628
188 HD23 LEU 27 2HD2 LEU 27 -1.677 3.224 -3.413
189 H GLN 28 H GLN 28 -3.217 4.681 0.853
190 HA GLN 28 HA GLN 28 -1.113 6.552 1.262
191 HB2 GLN 28 1HB GLN 28 -4.027 6.539 2.128
192 HB3 GLN 28 2HB GLN 28 -2.978 7.918 2.415
193 HG2 GLN 28 1HG GLN 28 -3.443 6.748 -0.363
194 HG3 GLN 28 2HG GLN 28 -4.436 8.009 0.354
195 HE21 GLN 28 1HE2 GLN 28 -3.340 8.716 -1.989
196 HE22 GLN 28 2HE2 GLN 28 -1.958 9.773 -1.742
197 H ALA 29 H ALA 29 -3.030 4.786 3.735
198 HA ALA 29 HA ALA 29 -1.629 5.773 6.005
199 HB1 ALA 29 1HB ALA 29 -3.794 4.595 6.092
200 HB2 ALA 29 2HB ALA 29 -2.999 3.079 5.610
201 HB3 ALA 29 3HB ALA 29 -2.599 3.838 7.162
202 H HIS 30 H HIS 30 -0.653 3.215 3.715
203 HA HIS 30 HA HIS 30 1.668 2.423 5.343
204 HB2 HIS 30 1HB HIS 30 0.618 0.766 3.935
205 HB3 HIS 30 2HB HIS 30 0.833 1.766 2.499
206 HD1 HIS 30 1HD HIS 30 2.986 -0.251 4.997
207 HD2 HIS 30 2HD HIS 30 3.189 1.774 1.323
208 HE1 HIS 30 1HE HIS 30 5.313 -0.699 4.096
209 H LEU 31 H LEU 31 1.162 4.650 2.530
210 HA LEU 31 HA LEU 31 3.918 5.230 2.085
211 HB2 LEU 31 1HB LEU 31 1.473 7.005 1.801
212 HB3 LEU 31 2HB LEU 31 3.069 7.436 1.207
213 HG LEU 31 HG LEU 31 1.457 5.042 0.229
214 HD11 LEU 31 1HD1 LEU 31 0.468 7.218 -0.409
215 HD12 LEU 31 2HD1 LEU 31 1.129 6.354 -1.804
216 HD13 LEU 31 3HD1 LEU 31 2.026 7.718 -1.096
217 HD21 LEU 31 3HD2 LEU 31 3.837 4.608 -0.063
218 HD22 LEU 31 1HD2 LEU 31 4.070 6.225 -0.776
219 HD23 LEU 31 2HD2 LEU 31 3.090 5.000 -1.611
220 H LYS 32 H LYS 32 1.723 6.514 4.553
221 HA LYS 32 HA LYS 32 3.468 8.478 5.682
222 HB2 LYS 32 1HB LYS 32 1.212 6.834 6.888
223 HB3 LYS 32 2HB LYS 32 2.046 8.135 7.749
224 HG2 LYS 32 1HG LYS 32 1.402 9.764 6.032
225 HG3 LYS 32 2HG LYS 32 0.588 8.503 5.096
226 HD2 LYS 32 1HD LYS 32 -0.973 8.103 6.988
227 HD3 LYS 32 2HD LYS 32 -0.163 9.387 7.915
228 HE2 LYS 32 1HE LYS 32 -0.725 11.016 6.109
229 HE3 LYS 32 2HE LYS 32 -1.557 9.736 5.218
230 HZ1 LYS 32 3HZ LYS 32 -3.115 11.063 6.528
231 HZ2 LYS 32 1HZ LYS 32 -2.333 10.718 7.917
232 HZ3 LYS 32 2HZ LYS 32 -3.107 9.533 7.098
233 H VAL 33 H VAL 33 3.812 5.032 5.807
234 HA VAL 33 HA VAL 33 5.477 4.986 8.197
235 HB VAL 33 HB VAL 33 4.163 3.049 6.819
236 HG11 VAL 33 1HG1 VAL 33 5.669 1.472 5.809
237 HG12 VAL 33 2HG1 VAL 33 5.858 3.000 4.943
238 HG13 VAL 33 3HG1 VAL 33 7.080 2.494 6.124
239 HG21 VAL 33 3HG2 VAL 33 4.916 2.906 9.115
240 HG22 VAL 33 1HG2 VAL 33 5.307 1.435 8.211
241 HG23 VAL 33 2HG2 VAL 33 6.590 2.618 8.573
242 H HIS 34 H HIS 34 6.005 5.773 4.847
243 HA HIS 34 HA HIS 34 8.951 5.580 5.063
244 HB2 HIS 34 1HB HIS 34 7.119 6.264 2.733
245 HB3 HIS 34 2HB HIS 34 8.871 6.121 2.649
246 HD1 HIS 34 1HD HIS 34 9.723 3.506 3.657
247 HD2 HIS 34 2HD HIS 34 5.918 4.086 1.957
248 HE1 HIS 34 1HE HIS 34 8.945 1.208 2.927
249 H THR 35 H THR 35 6.443 8.107 5.043
250 HA THR 35 HA THR 35 8.365 10.275 4.635
251 HB THR 35 HB THR 35 6.487 11.769 5.158
252 HG1 THR 35 1HG THR 35 4.497 10.917 5.595
253 HG21 THR 35 3HG2 THR 35 5.070 11.226 3.249
254 HG22 THR 35 1HG2 THR 35 5.668 9.552 3.225
255 HG23 THR 35 2HG2 THR 35 6.764 10.897 2.840
256 H ALA 36 H ALA 36 7.205 8.543 7.448
257 HA ALA 36 HA ALA 36 7.973 10.501 9.420
258 HB1 ALA 36 1HB ALA 36 7.608 7.482 9.626
259 HB2 ALA 36 2HB ALA 36 7.722 8.615 10.991
260 HB3 ALA 36 3HB ALA 36 6.347 8.713 9.872
261 H LEU 37 H LEU 37 9.890 10.888 10.406
262 HA LEU 37 HA LEU 37 12.324 9.749 9.239
263 HB2 LEU 37 1HB LEU 37 11.967 12.179 9.562
264 HB3 LEU 37 2HB LEU 37 11.873 11.934 11.306
265 HG LEU 37 HG LEU 37 14.240 11.195 11.347
266 HD11 LEU 37 1HD1 LEU 37 15.666 11.563 9.336
267 HD12 LEU 37 2HD1 LEU 37 14.206 11.861 8.366
268 HD13 LEU 37 3HD1 LEU 37 14.504 10.261 9.084
269 HD21 LEU 37 3HD2 LEU 37 13.811 13.844 9.908
270 HD22 LEU 37 1HD2 LEU 37 15.237 13.383 10.865
271 HD23 LEU 37 2HD2 LEU 37 13.667 13.570 11.659
272 H ASP 38 H ASP 38 10.584 9.457 12.279
273 HA ASP 38 HA ASP 38 12.420 7.358 13.265
274 HB2 ASP 38 1HB ASP 38 13.316 9.453 14.202
275 HB3 ASP 38 2HB ASP 38 11.732 9.867 14.847
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -3.679 -21.875 -14.398
2 H2 GLY 1 2H GLY 1 -5.217 -22.441 -14.403
3 H3 GLY 1 3H GLY 1 -4.805 -21.198 -13.419
4 HA2 GLY 1 1HA GLY 1 -4.386 -19.760 -15.299
5 HA3 GLY 1 2HA GLY 1 -4.813 -21.107 -16.368
6 H SER 2 H SER 2 -6.013 -18.346 -15.789
7 HA SER 2 HA SER 2 -8.867 -19.175 -15.462
8 HB2 SER 2 1HB SER 2 -7.544 -16.797 -14.100
9 HB3 SER 2 2HB SER 2 -9.272 -17.194 -14.067
10 HG SER 2 HG SER 2 -8.165 -17.944 -12.195
11 H SER 3 H SER 3 -10.411 -17.771 -16.424
12 HA SER 3 HA SER 3 -9.545 -16.526 -18.899
13 HB2 SER 3 1HB SER 3 -11.983 -16.143 -19.209
14 HB3 SER 3 2HB SER 3 -11.567 -17.825 -18.843
15 HG SER 3 HG SER 3 -13.367 -17.074 -17.610
16 H GLY 4 H GLY 4 -10.010 -15.276 -15.720
17 HA2 GLY 4 1HA GLY 4 -9.121 -12.649 -16.372
18 HA3 GLY 4 2HA GLY 4 -10.874 -12.624 -16.155
19 H SER 5 H SER 5 -9.855 -11.081 -14.455
20 HA SER 5 HA SER 5 -9.686 -12.483 -11.819
21 HB2 SER 5 1HB SER 5 -7.923 -10.173 -12.728
22 HB3 SER 5 2HB SER 5 -7.982 -10.851 -11.091
23 HG SER 5 HG SER 5 -6.253 -11.714 -12.346
24 H SER 6 H SER 6 -10.569 -11.390 -10.066
25 HA SER 6 HA SER 6 -12.761 -9.640 -10.639
26 HB2 SER 6 1HB SER 6 -11.559 -10.373 -7.947
27 HB3 SER 6 2HB SER 6 -13.187 -9.735 -8.245
28 HG SER 6 HG SER 6 -13.183 -12.023 -8.021
29 H GLY 7 H GLY 7 -9.477 -8.855 -9.914
30 HA2 GLY 7 1HA GLY 7 -9.781 -6.063 -10.262
31 HA3 GLY 7 2HA GLY 7 -9.713 -6.386 -8.528
32 H ILE 8 H ILE 8 -7.783 -4.865 -9.249
33 HA ILE 8 HA ILE 8 -5.313 -6.536 -9.339
34 HB ILE 8 HB ILE 8 -5.689 -3.902 -10.821
35 HG12 ILE 8 1HG1 ILE 8 -5.426 -6.746 -11.903
36 HG13 ILE 8 2HG1 ILE 8 -6.865 -5.729 -11.982
37 HG21 ILE 8 1HG2 ILE 8 -3.388 -4.215 -9.919
38 HG22 ILE 8 2HG2 ILE 8 -3.296 -5.802 -10.717
39 HG23 ILE 8 3HG2 ILE 8 -3.399 -4.301 -11.663
40 HD11 ILE 8 3HD1 ILE 8 -4.276 -5.284 -13.495
41 HD12 ILE 8 1HD1 ILE 8 -5.873 -5.689 -14.136
42 HD13 ILE 8 2HD1 ILE 8 -5.602 -4.093 -13.407
43 H LEU 9 H LEU 9 -3.862 -6.035 -7.780
44 HA LEU 9 HA LEU 9 -4.620 -4.185 -5.671
45 HB2 LEU 9 1HB LEU 9 -2.350 -6.143 -6.110
46 HB3 LEU 9 2HB LEU 9 -2.241 -4.924 -4.848
47 HG LEU 9 HG LEU 9 -4.291 -5.711 -3.802
48 HD11 LEU 9 1HD1 LEU 9 -5.526 -6.732 -5.643
49 HD12 LEU 9 2HD1 LEU 9 -5.233 -7.939 -4.393
50 HD13 LEU 9 3HD1 LEU 9 -4.241 -7.947 -5.868
51 HD21 LEU 9 3HD2 LEU 9 -2.231 -7.897 -4.251
52 HD22 LEU 9 1HD2 LEU 9 -3.373 -7.799 -2.892
53 HD23 LEU 9 2HD2 LEU 9 -2.115 -6.569 -3.073
54 H LEU 10 H LEU 10 -3.615 -2.403 -4.934
55 HA LEU 10 HA LEU 10 -1.955 -0.778 -6.760
56 HB2 LEU 10 1HB LEU 10 -2.904 -0.147 -3.944
57 HB3 LEU 10 2HB LEU 10 -2.285 0.978 -5.151
58 HG LEU 10 HG LEU 10 -4.955 -0.489 -5.292
59 HD11 LEU 10 1HD1 LEU 10 -4.841 1.253 -3.559
60 HD12 LEU 10 2HD1 LEU 10 -5.918 1.723 -4.886
61 HD13 LEU 10 3HD1 LEU 10 -4.291 2.435 -4.768
62 HD21 LEU 10 3HD2 LEU 10 -3.765 1.645 -7.123
63 HD22 LEU 10 1HD2 LEU 10 -5.434 1.033 -7.190
64 HD23 LEU 10 2HD2 LEU 10 -4.087 -0.051 -7.558
65 H LYS 11 H LYS 11 0.153 -0.019 -6.066
66 HA LYS 11 HA LYS 11 1.552 -1.781 -4.081
67 HB2 LYS 11 1HB LYS 11 2.487 -1.035 -6.879
68 HB3 LYS 11 2HB LYS 11 3.433 -1.907 -5.670
69 HG2 LYS 11 1HG LYS 11 1.734 -3.736 -5.670
70 HG3 LYS 11 2HG LYS 11 0.837 -2.886 -6.943
71 HD2 LYS 11 1HD LYS 11 2.820 -3.025 -8.432
72 HD3 LYS 11 2HD LYS 11 3.701 -3.908 -7.164
73 HE2 LYS 11 1HE LYS 11 1.967 -5.689 -7.206
74 HE3 LYS 11 2HE LYS 11 1.086 -4.807 -8.460
75 HZ1 LYS 11 3HZ LYS 11 3.021 -5.084 -9.921
76 HZ2 LYS 11 1HZ LYS 11 2.490 -6.543 -9.419
77 HZ3 LYS 11 2HZ LYS 11 3.835 -5.900 -8.762
78 H CYS 12 H CYS 12 3.258 -0.973 -2.986
79 HA CYS 12 HA CYS 12 3.490 1.879 -2.627
80 HB2 CYS 12 1HB CYS 12 3.735 0.169 -0.870
81 HB3 CYS 12 2HB CYS 12 5.216 -0.416 -1.656
82 HA PRO 13 HA PRO 13 6.541 2.246 -5.965
83 HB2 PRO 13 1HB PRO 13 6.809 4.930 -6.077
84 HB3 PRO 13 2HB PRO 13 5.242 4.144 -6.438
85 HG2 PRO 13 1HG PRO 13 6.135 5.385 -3.809
86 HG3 PRO 13 2HG PRO 13 4.615 5.688 -4.709
87 HD2 PRO 13 1HD PRO 13 4.824 3.863 -2.651
88 HD3 PRO 13 2HD PRO 13 3.695 3.648 -4.026
89 H THR 14 H THR 14 7.241 2.694 -2.678
90 HA THR 14 HA THR 14 9.683 4.201 -2.866
91 HB THR 14 HB THR 14 8.797 2.487 -0.525
92 HG1 THR 14 1HG THR 14 7.130 3.808 -0.855
93 HG21 THR 14 3HG2 THR 14 9.950 4.300 0.774
94 HG22 THR 14 1HG2 THR 14 10.543 4.980 -0.752
95 HG23 THR 14 2HG2 THR 14 11.056 3.357 -0.225
96 H ASP 15 H ASP 15 11.828 3.610 -2.820
97 HA ASP 15 HA ASP 15 12.605 1.090 -3.894
98 HB2 ASP 15 1HB ASP 15 13.887 3.158 -4.199
99 HB3 ASP 15 2HB ASP 15 14.240 3.222 -2.468
100 H GLY 16 H GLY 16 13.286 -0.790 -3.025
101 HA2 GLY 16 1HA GLY 16 13.846 -2.414 -1.484
102 HA3 GLY 16 2HA GLY 16 14.030 -1.175 -0.243
103 H CYS 17 H CYS 17 10.968 -0.623 -1.341
104 HA CYS 17 HA CYS 17 9.666 -2.236 0.763
105 HB2 CYS 17 1HB CYS 17 9.374 0.262 0.388
106 HB3 CYS 17 2HB CYS 17 8.410 -0.169 -1.037
107 H ASP 18 H ASP 18 7.765 -3.398 0.331
108 HA ASP 18 HA ASP 18 7.457 -4.630 -2.369
109 HB2 ASP 18 1HB ASP 18 9.137 -5.899 -0.963
110 HB3 ASP 18 2HB ASP 18 7.844 -6.231 0.188
111 H TYR 19 H TYR 19 5.877 -2.950 -0.188
112 HA TYR 19 HA TYR 19 3.639 -4.591 0.568
113 HB2 TYR 19 1HB TYR 19 4.402 -2.754 1.925
114 HB3 TYR 19 2HB TYR 19 4.153 -1.611 0.624
115 HD1 TYR 19 2HD TYR 19 2.527 -3.681 3.220
116 HD2 TYR 19 1HD TYR 19 1.853 -0.835 0.044
117 HE1 TYR 19 2HE TYR 19 0.211 -3.300 4.048
118 HE2 TYR 19 1HE TYR 19 -0.449 -0.445 0.892
119 HH TYR 19 HH TYR 19 -1.749 -2.157 3.756
120 H SER 20 H SER 20 1.630 -4.813 -0.222
121 HA SER 20 HA SER 20 0.595 -3.074 -2.335
122 HB2 SER 20 1HB SER 20 -0.160 -4.960 -3.740
123 HB3 SER 20 2HB SER 20 1.610 -4.842 -3.655
124 HG SER 20 HG SER 20 0.931 -6.999 -3.392
125 H THR 21 H THR 21 -1.673 -3.130 -2.590
126 HA THR 21 HA THR 21 -3.365 -4.674 -0.758
127 HB THR 21 HB THR 21 -2.583 -3.020 0.793
128 HG1 THR 21 1HG THR 21 -4.486 -2.345 1.463
129 HG21 THR 21 3HG2 THR 21 -3.606 -0.858 -1.101
130 HG22 THR 21 1HG2 THR 21 -1.896 -1.203 -0.784
131 HG23 THR 21 2HG2 THR 21 -2.935 -0.624 0.525
132 HA PRO 22 HA PRO 22 -6.221 -3.495 -4.031
133 HB2 PRO 22 1HB PRO 22 -8.610 -4.344 -3.050
134 HB3 PRO 22 2HB PRO 22 -7.315 -5.477 -3.541
135 HG2 PRO 22 1HG PRO 22 -7.932 -4.464 -0.743
136 HG3 PRO 22 2HG PRO 22 -7.710 -6.163 -1.277
137 HD2 PRO 22 1HD PRO 22 -5.689 -4.727 -0.163
138 HD3 PRO 22 2HD PRO 22 -5.371 -5.886 -1.478
139 H ASP 23 H ASP 23 -6.117 -1.916 -0.976
140 HA ASP 23 HA ASP 23 -8.354 -0.061 -1.683
141 HB2 ASP 23 1HB ASP 23 -8.427 -1.473 0.481
142 HB3 ASP 23 2HB ASP 23 -7.104 -0.488 1.006
143 H LYS 24 H LYS 24 -8.017 2.035 -2.045
144 HA LYS 24 HA LYS 24 -5.437 3.233 -2.305
145 HB2 LYS 24 1HB LYS 24 -7.436 3.915 -3.562
146 HB3 LYS 24 2HB LYS 24 -8.226 4.459 -2.074
147 HG2 LYS 24 1HG LYS 24 -6.536 6.223 -1.778
148 HG3 LYS 24 2HG LYS 24 -5.645 5.631 -3.194
149 HD2 LYS 24 1HD LYS 24 -7.591 6.162 -4.637
150 HD3 LYS 24 2HD LYS 24 -8.505 6.710 -3.213
151 HE2 LYS 24 1HE LYS 24 -6.798 8.459 -2.790
152 HE3 LYS 24 2HE LYS 24 -5.879 7.915 -4.201
153 HZ1 LYS 24 3HZ LYS 24 -8.640 9.019 -4.291
154 HZ2 LYS 24 1HZ LYS 24 -7.791 8.516 -5.593
155 HZ3 LYS 24 2HZ LYS 24 -7.292 9.815 -4.746
156 H TYR 25 H TYR 25 -7.761 3.406 0.400
157 HA TYR 25 HA TYR 25 -6.212 5.458 1.786
158 HB2 TYR 25 1HB TYR 25 -8.538 3.812 2.819
159 HB3 TYR 25 2HB TYR 25 -7.896 5.299 3.499
160 HD1 TYR 25 2HD TYR 25 -7.989 7.451 2.072
161 HD2 TYR 25 1HD TYR 25 -10.203 3.874 1.099
162 HE1 TYR 25 2HE TYR 25 -9.476 8.778 0.582
163 HE2 TYR 25 1HE TYR 25 -11.690 5.209 -0.397
164 HH TYR 25 HH TYR 25 -11.268 8.743 -0.847
165 H LYS 26 H LYS 26 -6.543 1.894 1.991
166 HA LYS 26 HA LYS 26 -4.773 1.579 4.271
167 HB2 LYS 26 1HB LYS 26 -5.193 -0.311 1.930
168 HB3 LYS 26 2HB LYS 26 -4.383 -0.705 3.433
169 HG2 LYS 26 1HG LYS 26 -6.479 -0.231 4.707
170 HG3 LYS 26 2HG LYS 26 -7.326 0.047 3.195
171 HD2 LYS 26 1HD LYS 26 -6.762 -2.302 2.488
172 HD3 LYS 26 2HD LYS 26 -5.958 -2.546 4.053
173 HE2 LYS 26 1HE LYS 26 -8.100 -2.031 5.219
174 HE3 LYS 26 2HE LYS 26 -8.897 -1.812 3.656
175 HZ1 LYS 26 3HZ LYS 26 -9.268 -4.044 4.536
176 HZ2 LYS 26 1HZ LYS 26 -7.668 -4.350 4.604
177 HZ3 LYS 26 2HZ LYS 26 -8.404 -4.152 3.156
178 H LEU 27 H LEU 27 -4.079 1.868 0.748
179 HA LEU 27 HA LEU 27 -1.247 1.642 1.066
180 HB2 LEU 27 1HB LEU 27 -2.431 1.405 -1.105
181 HB3 LEU 27 2HB LEU 27 -2.817 3.121 -1.068
182 HG LEU 27 HG LEU 27 -0.450 3.724 -1.224
183 HD11 LEU 27 1HD1 LEU 27 0.658 1.866 -0.057
184 HD12 LEU 27 2HD1 LEU 27 1.276 1.997 -1.698
185 HD13 LEU 27 3HD1 LEU 27 0.101 0.722 -1.308
186 HD21 LEU 27 3HD2 LEU 27 -1.766 3.271 -3.289
187 HD22 LEU 27 1HD2 LEU 27 -1.161 1.597 -3.265
188 HD23 LEU 27 2HD2 LEU 27 -0.032 2.949 -3.493
189 H GLN 28 H GLN 28 -3.324 4.614 1.014
190 HA GLN 28 HA GLN 28 -1.259 6.509 1.480
191 HB2 GLN 28 1HB GLN 28 -4.171 6.410 2.372
192 HB3 GLN 28 2HB GLN 28 -3.116 7.793 2.695
193 HG2 GLN 28 1HG GLN 28 -2.638 8.042 0.331
194 HG3 GLN 28 2HG GLN 28 -3.684 6.697 -0.093
195 HE21 GLN 28 1HE2 GLN 28 -4.202 9.109 -1.313
196 HE22 GLN 28 2HE2 GLN 28 -5.653 9.820 -0.612
197 H ALA 29 H ALA 29 -3.096 4.631 3.858
198 HA ALA 29 HA ALA 29 -1.719 5.543 6.178
199 HB1 ALA 29 1HB ALA 29 -3.914 4.426 6.214
200 HB2 ALA 29 2HB ALA 29 -3.155 2.899 5.708
201 HB3 ALA 29 3HB ALA 29 -2.759 3.609 7.284
202 H HIS 30 H HIS 30 -0.627 3.222 3.769
203 HA HIS 30 HA HIS 30 1.656 2.345 5.470
204 HB2 HIS 30 1HB HIS 30 0.661 0.657 4.060
205 HB3 HIS 30 2HB HIS 30 0.791 1.682 2.629
206 HD1 HIS 30 1HD HIS 30 3.107 -0.245 5.049
207 HD2 HIS 30 2HD HIS 30 3.112 1.798 1.378
208 HE1 HIS 30 1HE HIS 30 5.428 -0.572 4.085
209 H LEU 31 H LEU 31 1.098 4.478 2.594
210 HA LEU 31 HA LEU 31 3.810 4.970 2.005
211 HB2 LEU 31 1HB LEU 31 1.354 6.721 1.715
212 HB3 LEU 31 2HB LEU 31 2.917 7.177 1.055
213 HG LEU 31 HG LEU 31 1.475 4.610 0.264
214 HD11 LEU 31 1HD1 LEU 31 0.149 6.584 -0.395
215 HD12 LEU 31 2HD1 LEU 31 0.878 5.807 -1.806
216 HD13 LEU 31 3HD1 LEU 31 1.587 7.303 -1.157
217 HD21 LEU 31 3HD2 LEU 31 2.973 4.669 -1.666
218 HD22 LEU 31 1HD2 LEU 31 3.884 4.514 -0.166
219 HD23 LEU 31 2HD2 LEU 31 3.814 6.087 -0.997
220 H LYS 32 H LYS 32 1.808 6.588 4.477
221 HA LYS 32 HA LYS 32 3.698 8.565 5.262
222 HB2 LYS 32 1HB LYS 32 2.524 8.660 7.388
223 HB3 LYS 32 2HB LYS 32 1.425 8.700 6.011
224 HG2 LYS 32 1HG LYS 32 0.657 6.479 6.408
225 HG3 LYS 32 2HG LYS 32 1.980 6.129 7.542
226 HD2 LYS 32 1HD LYS 32 1.097 7.728 9.161
227 HD3 LYS 32 2HD LYS 32 -0.143 8.260 8.025
228 HE2 LYS 32 1HE LYS 32 -1.053 6.798 9.776
229 HE3 LYS 32 2HE LYS 32 -1.307 6.145 8.159
230 HZ1 LYS 32 3HZ LYS 32 -0.527 4.484 9.813
231 HZ2 LYS 32 1HZ LYS 32 0.904 5.260 9.941
232 HZ3 LYS 32 2HZ LYS 32 0.446 4.573 8.508
233 H VAL 33 H VAL 33 3.886 5.145 5.831
234 HA VAL 33 HA VAL 33 5.651 5.197 8.098
235 HB VAL 33 HB VAL 33 4.293 3.242 6.846
236 HG11 VAL 33 1HG1 VAL 33 5.879 3.143 4.876
237 HG12 VAL 33 2HG1 VAL 33 7.154 2.616 5.992
238 HG13 VAL 33 3HG1 VAL 33 5.703 1.627 5.764
239 HG21 VAL 33 3HG2 VAL 33 5.436 1.623 8.183
240 HG22 VAL 33 1HG2 VAL 33 6.789 2.753 8.467
241 HG23 VAL 33 2HG2 VAL 33 5.156 3.115 9.090
242 H HIS 34 H HIS 34 6.189 5.872 4.732
243 HA HIS 34 HA HIS 34 9.140 5.737 4.974
244 HB2 HIS 34 1HB HIS 34 7.340 6.325 2.597
245 HB3 HIS 34 2HB HIS 34 9.082 6.098 2.548
246 HD1 HIS 34 1HD HIS 34 9.795 3.475 3.641
247 HD2 HIS 34 2HD HIS 34 6.043 4.203 1.883
248 HE1 HIS 34 1HE HIS 34 8.926 1.204 2.914
249 H THR 35 H THR 35 6.657 8.133 5.270
250 HA THR 35 HA THR 35 8.583 10.360 4.715
251 HB THR 35 HB THR 35 6.687 11.672 3.918
252 HG1 THR 35 1HG THR 35 4.711 10.660 3.601
253 HG21 THR 35 3HG2 THR 35 6.305 10.568 1.805
254 HG22 THR 35 1HG2 THR 35 6.758 8.987 2.476
255 HG23 THR 35 2HG2 THR 35 7.981 10.267 2.296
256 H ALA 36 H ALA 36 7.083 8.984 7.332
257 HA ALA 36 HA ALA 36 6.051 11.175 8.762
258 HB1 ALA 36 1HB ALA 36 5.754 8.842 9.445
259 HB2 ALA 36 2HB ALA 36 7.494 8.694 9.787
260 HB3 ALA 36 3HB ALA 36 6.479 9.777 10.763
261 H LEU 37 H LEU 37 6.848 12.590 10.250
262 HA LEU 37 HA LEU 37 8.171 14.177 11.104
263 HB2 LEU 37 1HB LEU 37 10.278 12.017 11.345
264 HB3 LEU 37 2HB LEU 37 10.184 13.505 12.274
265 HG LEU 37 HG LEU 37 8.192 11.202 12.418
266 HD11 LEU 37 1HD1 LEU 37 9.124 10.863 14.658
267 HD12 LEU 37 2HD1 LEU 37 10.276 12.194 14.404
268 HD13 LEU 37 3HD1 LEU 37 10.388 10.713 13.428
269 HD21 LEU 37 3HD2 LEU 37 7.280 12.409 14.389
270 HD22 LEU 37 1HD2 LEU 37 7.040 13.324 12.898
271 HD23 LEU 37 2HD2 LEU 37 8.335 13.793 14.025
272 H ASP 38 H ASP 38 8.399 13.763 8.112
273 HA ASP 38 HA ASP 38 10.970 14.884 7.346
274 HB2 ASP 38 1HB ASP 38 9.647 13.517 5.815
275 HB3 ASP 38 2HB ASP 38 8.330 14.686 5.863
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -21.896 -5.121 -9.178
2 H2 GLY 1 2H GLY 1 -22.952 -6.347 -8.927
3 H3 GLY 1 3H GLY 1 -22.567 -5.899 -10.455
4 HA2 GLY 1 1HA GLY 1 -21.435 -7.945 -9.887
5 HA3 GLY 1 2HA GLY 1 -20.296 -6.619 -10.185
6 H SER 2 H SER 2 -20.167 -9.126 -8.470
7 HA SER 2 HA SER 2 -20.234 -8.306 -5.710
8 HB2 SER 2 1HB SER 2 -18.944 -10.756 -6.960
9 HB3 SER 2 2HB SER 2 -19.383 -10.538 -5.256
10 HG SER 2 HG SER 2 -20.979 -11.716 -6.414
11 H SER 3 H SER 3 -17.788 -7.795 -8.051
12 HA SER 3 HA SER 3 -15.894 -6.861 -6.000
13 HB2 SER 3 1HB SER 3 -15.356 -9.299 -6.510
14 HB3 SER 3 2HB SER 3 -14.947 -8.781 -8.156
15 HG SER 3 HG SER 3 -13.127 -8.833 -6.711
16 H GLY 4 H GLY 4 -13.983 -5.772 -7.100
17 HA2 GLY 4 1HA GLY 4 -14.939 -3.721 -8.928
18 HA3 GLY 4 2HA GLY 4 -13.311 -3.885 -8.281
19 H SER 5 H SER 5 -13.551 -3.024 -10.808
20 HA SER 5 HA SER 5 -13.525 -5.132 -12.802
21 HB2 SER 5 1HB SER 5 -12.976 -3.272 -14.347
22 HB3 SER 5 2HB SER 5 -14.409 -2.967 -13.351
23 HG SER 5 HG SER 5 -12.990 -1.149 -13.432
24 H SER 6 H SER 6 -11.007 -3.689 -10.852
25 HA SER 6 HA SER 6 -8.813 -4.439 -12.639
26 HB2 SER 6 1HB SER 6 -8.617 -2.512 -11.121
27 HB3 SER 6 2HB SER 6 -8.730 -3.603 -9.722
28 HG SER 6 HG SER 6 -6.552 -3.141 -10.296
29 H GLY 7 H GLY 7 -7.503 -6.174 -12.559
30 HA2 GLY 7 1HA GLY 7 -8.299 -8.565 -11.016
31 HA3 GLY 7 2HA GLY 7 -7.088 -8.458 -12.299
32 H ILE 8 H ILE 8 -6.231 -5.965 -10.327
33 HA ILE 8 HA ILE 8 -4.363 -7.652 -8.720
34 HB ILE 8 HB ILE 8 -2.505 -6.270 -9.433
35 HG12 ILE 8 1HG1 ILE 8 -4.356 -5.067 -11.539
36 HG13 ILE 8 2HG1 ILE 8 -3.790 -4.223 -10.094
37 HG21 ILE 8 1HG2 ILE 8 -2.112 -7.361 -11.533
38 HG22 ILE 8 2HG2 ILE 8 -3.066 -8.451 -10.528
39 HG23 ILE 8 3HG2 ILE 8 -3.850 -7.543 -11.840
40 HD11 ILE 8 3HD1 ILE 8 -1.433 -4.533 -10.855
41 HD12 ILE 8 1HD1 ILE 8 -2.053 -5.220 -12.377
42 HD13 ILE 8 2HD1 ILE 8 -2.426 -3.543 -11.947
43 H LEU 9 H LEU 9 -3.240 -6.693 -7.054
44 HA LEU 9 HA LEU 9 -4.566 -4.590 -5.506
45 HB2 LEU 9 1HB LEU 9 -2.108 -6.346 -5.160
46 HB3 LEU 9 2HB LEU 9 -2.405 -4.966 -4.115
47 HG LEU 9 HG LEU 9 -4.490 -5.855 -3.340
48 HD11 LEU 9 1HD1 LEU 9 -3.932 -8.299 -5.065
49 HD12 LEU 9 2HD1 LEU 9 -5.324 -7.192 -5.197
50 HD13 LEU 9 3HD1 LEU 9 -5.152 -8.219 -3.775
51 HD21 LEU 9 3HD2 LEU 9 -2.413 -6.436 -2.167
52 HD22 LEU 9 1HD2 LEU 9 -2.248 -7.894 -3.162
53 HD23 LEU 9 2HD2 LEU 9 -3.608 -7.731 -2.028
54 H LEU 10 H LEU 10 -3.514 -2.678 -4.777
55 HA LEU 10 HA LEU 10 -1.822 -1.257 -6.739
56 HB2 LEU 10 1HB LEU 10 -2.684 -0.388 -3.957
57 HB3 LEU 10 2HB LEU 10 -2.071 0.626 -5.259
58 HG LEU 10 HG LEU 10 -4.779 -0.784 -5.251
59 HD11 LEU 10 1HD1 LEU 10 -4.603 1.026 -3.595
60 HD12 LEU 10 2HD1 LEU 10 -5.691 1.464 -4.923
61 HD13 LEU 10 3HD1 LEU 10 -4.049 2.145 -4.859
62 HD21 LEU 10 3HD2 LEU 10 -5.268 0.658 -7.201
63 HD22 LEU 10 1HD2 LEU 10 -3.935 -0.453 -7.548
64 HD23 LEU 10 2HD2 LEU 10 -3.593 1.255 -7.187
65 H LYS 11 H LYS 11 0.331 -0.499 -6.144
66 HA LYS 11 HA LYS 11 1.619 -1.927 -3.851
67 HB2 LYS 11 1HB LYS 11 2.571 -1.777 -6.721
68 HB3 LYS 11 2HB LYS 11 3.735 -1.838 -5.395
69 HG2 LYS 11 1HG LYS 11 2.523 -3.863 -4.501
70 HG3 LYS 11 2HG LYS 11 1.612 -3.921 -6.024
71 HD2 LYS 11 1HD LYS 11 3.767 -4.155 -7.262
72 HD3 LYS 11 2HD LYS 11 4.655 -4.008 -5.729
73 HE2 LYS 11 1HE LYS 11 3.351 -6.031 -4.893
74 HE3 LYS 11 2HE LYS 11 2.753 -6.243 -6.545
75 HZ1 LYS 11 3HZ LYS 11 5.599 -6.303 -5.666
76 HZ2 LYS 11 1HZ LYS 11 5.128 -6.414 -7.238
77 HZ3 LYS 11 2HZ LYS 11 4.727 -7.587 -6.171
78 H CYS 12 H CYS 12 3.246 -1.059 -2.809
79 HA CYS 12 HA CYS 12 3.370 1.769 -2.444
80 HB2 CYS 12 1HB CYS 12 3.738 0.046 -0.745
81 HB3 CYS 12 2HB CYS 12 5.220 -0.473 -1.582
82 HA PRO 13 HA PRO 13 6.300 2.567 -5.768
83 HB2 PRO 13 1HB PRO 13 6.521 5.254 -5.603
84 HB3 PRO 13 2HB PRO 13 4.961 4.470 -5.997
85 HG2 PRO 13 1HG PRO 13 5.910 5.449 -3.277
86 HG3 PRO 13 2HG PRO 13 4.356 5.809 -4.097
87 HD2 PRO 13 1HD PRO 13 4.636 3.790 -2.255
88 HD3 PRO 13 2HD PRO 13 3.510 3.670 -3.643
89 H THR 14 H THR 14 7.157 3.020 -2.427
90 HA THR 14 HA THR 14 9.630 4.404 -2.776
91 HB THR 14 HB THR 14 8.719 2.707 -0.429
92 HG1 THR 14 1HG THR 14 8.009 4.723 0.333
93 HG21 THR 14 3HG2 THR 14 10.145 4.290 0.895
94 HG22 THR 14 1HG2 THR 14 10.777 4.955 -0.625
95 HG23 THR 14 2HG2 THR 14 11.091 3.261 -0.179
96 H ASP 15 H ASP 15 11.759 3.766 -2.861
97 HA ASP 15 HA ASP 15 12.399 1.305 -4.111
98 HB2 ASP 15 1HB ASP 15 13.718 3.354 -4.356
99 HB3 ASP 15 2HB ASP 15 14.180 3.291 -2.654
100 H GLY 16 H GLY 16 13.088 -0.644 -3.422
101 HA2 GLY 16 1HA GLY 16 13.708 -2.383 -2.034
102 HA3 GLY 16 2HA GLY 16 13.970 -1.244 -0.716
103 H CYS 17 H CYS 17 10.878 -0.555 -1.602
104 HA CYS 17 HA CYS 17 9.648 -2.397 0.366
105 HB2 CYS 17 1HB CYS 17 9.481 0.154 0.431
106 HB3 CYS 17 2HB CYS 17 8.408 0.010 -0.974
107 H ASP 18 H ASP 18 7.848 -3.618 -0.128
108 HA ASP 18 HA ASP 18 6.936 -3.904 -2.928
109 HB2 ASP 18 1HB ASP 18 8.879 -5.477 -2.563
110 HB3 ASP 18 2HB ASP 18 7.914 -6.303 -1.340
111 H TYR 19 H TYR 19 5.860 -2.984 -0.246
112 HA TYR 19 HA TYR 19 3.763 -4.730 0.620
113 HB2 TYR 19 1HB TYR 19 4.518 -2.900 1.985
114 HB3 TYR 19 2HB TYR 19 4.177 -1.732 0.722
115 HD1 TYR 19 2HD TYR 19 2.699 -3.862 3.357
116 HD2 TYR 19 1HD TYR 19 1.875 -0.953 0.272
117 HE1 TYR 19 2HE TYR 19 0.450 -3.431 4.348
118 HE2 TYR 19 1HE TYR 19 -0.339 -0.506 1.282
119 HH TYR 19 HH TYR 19 -1.765 -0.947 3.035
120 H SER 20 H SER 20 1.640 -4.913 0.054
121 HA SER 20 HA SER 20 0.553 -3.294 -2.145
122 HB2 SER 20 1HB SER 20 -0.316 -5.220 -3.355
123 HB3 SER 20 2HB SER 20 1.451 -5.260 -3.296
124 HG SER 20 HG SER 20 1.362 -6.829 -1.701
125 H THR 21 H THR 21 -1.686 -3.229 -2.340
126 HA THR 21 HA THR 21 -3.453 -4.594 -0.468
127 HB THR 21 HB THR 21 -2.607 -2.930 1.061
128 HG1 THR 21 1HG THR 21 -4.502 -2.321 1.725
129 HG21 THR 21 3HG2 THR 21 -2.876 -0.543 0.744
130 HG22 THR 21 1HG2 THR 21 -3.539 -0.779 -0.885
131 HG23 THR 21 2HG2 THR 21 -1.843 -1.177 -0.542
132 HA PRO 22 HA PRO 22 -6.082 -3.420 -3.895
133 HB2 PRO 22 1HB PRO 22 -8.540 -4.231 -3.092
134 HB3 PRO 22 2HB PRO 22 -7.206 -5.381 -3.413
135 HG2 PRO 22 1HG PRO 22 -8.062 -4.233 -0.728
136 HG3 PRO 22 2HG PRO 22 -7.816 -5.959 -1.160
137 HD2 PRO 22 1HD PRO 22 -5.875 -4.486 0.050
138 HD3 PRO 22 2HD PRO 22 -5.473 -5.716 -1.176
139 H ASP 23 H ASP 23 -6.183 -1.707 -0.917
140 HA ASP 23 HA ASP 23 -8.249 0.202 -1.949
141 HB2 ASP 23 1HB ASP 23 -8.559 -1.100 0.324
142 HB3 ASP 23 2HB ASP 23 -7.372 0.032 0.904
143 H LYS 24 H LYS 24 -7.695 2.245 -2.425
144 HA LYS 24 HA LYS 24 -4.992 3.162 -2.291
145 HB2 LYS 24 1HB LYS 24 -5.691 5.147 -3.284
146 HB3 LYS 24 2HB LYS 24 -6.664 3.879 -3.997
147 HG2 LYS 24 1HG LYS 24 -7.584 5.880 -1.876
148 HG3 LYS 24 2HG LYS 24 -7.907 5.962 -3.603
149 HD2 LYS 24 1HD LYS 24 -9.171 3.794 -3.444
150 HD3 LYS 24 2HD LYS 24 -8.962 3.859 -1.675
151 HE2 LYS 24 1HE LYS 24 -10.078 6.068 -1.628
152 HE3 LYS 24 2HE LYS 24 -10.335 5.977 -3.374
153 HZ1 LYS 24 3HZ LYS 24 -11.686 3.978 -3.002
154 HZ2 LYS 24 1HZ LYS 24 -12.297 5.228 -2.154
155 HZ3 LYS 24 2HZ LYS 24 -11.443 4.064 -1.386
156 H TYR 25 H TYR 25 -7.601 3.579 0.085
157 HA TYR 25 HA TYR 25 -6.153 5.672 1.549
158 HB2 TYR 25 1HB TYR 25 -8.425 3.875 2.459
159 HB3 TYR 25 2HB TYR 25 -7.831 5.300 3.288
160 HD1 TYR 25 1HD TYR 25 -7.605 7.353 1.170
161 HD2 TYR 25 2HD TYR 25 -10.631 4.350 1.853
162 HE1 TYR 25 1HE TYR 25 -9.299 8.810 0.083
163 HE2 TYR 25 2HE TYR 25 -12.335 5.835 0.811
164 HH TYR 25 HH TYR 25 -12.746 7.858 -0.196
165 H LYS 26 H LYS 26 -6.436 2.124 1.736
166 HA LYS 26 HA LYS 26 -4.788 1.800 4.109
167 HB2 LYS 26 1HB LYS 26 -5.322 -0.120 1.808
168 HB3 LYS 26 2HB LYS 26 -4.540 -0.539 3.330
169 HG2 LYS 26 1HG LYS 26 -6.603 0.072 4.574
170 HG3 LYS 26 2HG LYS 26 -7.418 0.444 3.066
171 HD2 LYS 26 1HD LYS 26 -7.048 -1.932 2.322
172 HD3 LYS 26 2HD LYS 26 -6.276 -2.268 3.885
173 HE2 LYS 26 1HE LYS 26 -8.372 -1.591 5.052
174 HE3 LYS 26 2HE LYS 26 -9.142 -1.291 3.489
175 HZ1 LYS 26 3HZ LYS 26 -8.125 -3.930 4.411
176 HZ2 LYS 26 1HZ LYS 26 -8.838 -3.657 2.965
177 HZ3 LYS 26 2HZ LYS 26 -9.695 -3.497 4.344
178 H LEU 27 H LEU 27 -4.028 2.055 0.630
179 HA LEU 27 HA LEU 27 -1.206 1.646 0.977
180 HB2 LEU 27 1HB LEU 27 -2.404 1.436 -1.190
181 HB3 LEU 27 2HB LEU 27 -2.683 3.177 -1.185
182 HG LEU 27 HG LEU 27 -0.246 3.596 -1.303
183 HD11 LEU 27 1HD1 LEU 27 1.282 1.693 -1.816
184 HD12 LEU 27 2HD1 LEU 27 -0.013 0.553 -1.403
185 HD13 LEU 27 3HD1 LEU 27 0.679 1.637 -0.167
186 HD21 LEU 27 3HD2 LEU 27 -1.187 1.600 -3.387
187 HD22 LEU 27 1HD2 LEU 27 0.100 2.805 -3.588
188 HD23 LEU 27 2HD2 LEU 27 -1.578 3.335 -3.379
189 H GLN 28 H GLN 28 -3.129 4.707 0.796
190 HA GLN 28 HA GLN 28 -1.017 6.541 1.228
191 HB2 GLN 28 1HB GLN 28 -3.959 6.539 2.014
192 HB3 GLN 28 2HB GLN 28 -2.896 7.911 2.367
193 HG2 GLN 28 1HG GLN 28 -2.332 8.181 0.062
194 HG3 GLN 28 2HG GLN 28 -3.244 6.769 -0.436
195 HE21 GLN 28 1HE2 GLN 28 -4.027 8.789 -1.878
196 HE22 GLN 28 2HE2 GLN 28 -5.493 9.539 -1.262
197 H ALA 29 H ALA 29 -2.991 4.861 3.652
198 HA ALA 29 HA ALA 29 -1.663 5.780 5.985
199 HB1 ALA 29 1HB ALA 29 -3.012 3.093 5.487
200 HB2 ALA 29 2HB ALA 29 -2.671 3.816 7.070
201 HB3 ALA 29 3HB ALA 29 -3.826 4.597 5.972
202 H HIS 30 H HIS 30 -0.602 3.242 3.701
203 HA HIS 30 HA HIS 30 1.667 2.448 5.417
204 HB2 HIS 30 1HB HIS 30 0.655 0.764 4.028
205 HB3 HIS 30 2HB HIS 30 0.875 1.734 2.573
206 HD1 HIS 30 1HD HIS 30 2.982 -0.327 5.056
207 HD2 HIS 30 2HD HIS 30 3.259 1.790 1.441
208 HE1 HIS 30 1HE HIS 30 5.303 -0.812 4.153
209 H LEU 31 H LEU 31 1.188 4.690 2.615
210 HA LEU 31 HA LEU 31 3.950 5.251 2.179
211 HB2 LEU 31 1HB LEU 31 1.643 7.210 2.009
212 HB3 LEU 31 2HB LEU 31 3.236 7.434 1.312
213 HG LEU 31 HG LEU 31 1.168 5.389 0.437
214 HD11 LEU 31 1HD1 LEU 31 1.106 6.692 -1.619
215 HD12 LEU 31 2HD1 LEU 31 2.323 7.817 -0.972
216 HD13 LEU 31 3HD1 LEU 31 0.710 7.717 -0.230
217 HD21 LEU 31 3HD2 LEU 31 3.388 4.401 0.127
218 HD22 LEU 31 1HD2 LEU 31 3.956 5.889 -0.671
219 HD23 LEU 31 2HD2 LEU 31 2.695 4.880 -1.421
220 H LYS 32 H LYS 32 1.774 6.508 4.695
221 HA LYS 32 HA LYS 32 3.549 8.411 5.861
222 HB2 LYS 32 1HB LYS 32 1.426 6.706 7.217
223 HB3 LYS 32 2HB LYS 32 2.253 8.096 7.927
224 HG2 LYS 32 1HG LYS 32 1.386 9.399 5.812
225 HG3 LYS 32 2HG LYS 32 0.222 8.071 5.680
226 HD2 LYS 32 1HD LYS 32 0.681 9.864 8.089
227 HD3 LYS 32 2HD LYS 32 -0.669 10.014 6.963
228 HE2 LYS 32 1HE LYS 32 -1.710 8.030 7.728
229 HE3 LYS 32 2HE LYS 32 -0.221 7.418 8.463
230 HZ1 LYS 32 3HZ LYS 32 -0.337 9.173 10.109
231 HZ2 LYS 32 1HZ LYS 32 -1.716 8.276 10.165
232 HZ3 LYS 32 2HZ LYS 32 -1.707 9.781 9.502
233 H VAL 33 H VAL 33 3.810 4.926 5.964
234 HA VAL 33 HA VAL 33 5.537 4.838 8.297
235 HB VAL 33 HB VAL 33 4.172 2.941 6.893
236 HG11 VAL 33 1HG1 VAL 33 5.857 2.872 5.018
237 HG12 VAL 33 2HG1 VAL 33 7.081 2.346 6.192
238 HG13 VAL 33 3HG1 VAL 33 5.655 1.343 5.878
239 HG21 VAL 33 3HG2 VAL 33 4.918 2.769 9.191
240 HG22 VAL 33 1HG2 VAL 33 5.277 1.294 8.279
241 HG23 VAL 33 2HG2 VAL 33 6.586 2.446 8.649
242 H HIS 34 H HIS 34 6.021 5.668 4.965
243 HA HIS 34 HA HIS 34 8.980 5.574 5.178
244 HB2 HIS 34 1HB HIS 34 7.156 6.230 2.834
245 HB3 HIS 34 2HB HIS 34 8.910 6.092 2.780
246 HD1 HIS 34 1HD HIS 34 9.756 3.465 3.741
247 HD2 HIS 34 2HD HIS 34 5.940 4.061 2.071
248 HE1 HIS 34 1HE HIS 34 8.971 1.174 2.999
249 H THR 35 H THR 35 6.325 7.980 4.770
250 HA THR 35 HA THR 35 8.241 10.200 4.633
251 HB THR 35 HB THR 35 6.295 11.630 4.408
252 HG1 THR 35 1HG THR 35 4.230 10.605 4.355
253 HG21 THR 35 3HG2 THR 35 7.096 10.398 2.390
254 HG22 THR 35 1HG2 THR 35 5.366 10.771 2.340
255 HG23 THR 35 2HG2 THR 35 5.903 9.121 2.718
256 H ALA 36 H ALA 36 6.334 8.736 7.185
257 HA ALA 36 HA ALA 36 5.810 9.273 9.282
258 HB1 ALA 36 1HB ALA 36 7.604 10.030 10.735
259 HB2 ALA 36 2HB ALA 36 8.216 8.874 9.539
260 HB3 ALA 36 3HB ALA 36 8.532 10.614 9.338
261 H LEU 37 H LEU 37 4.764 11.051 7.311
262 HA LEU 37 HA LEU 37 5.023 13.785 8.026
263 HB2 LEU 37 1HB LEU 37 4.469 12.841 5.824
264 HB3 LEU 37 2HB LEU 37 2.905 12.307 6.403
265 HG LEU 37 HG LEU 37 2.978 14.317 4.915
266 HD11 LEU 37 1HD1 LEU 37 1.663 14.966 7.568
267 HD12 LEU 37 2HD1 LEU 37 1.016 13.829 6.365
268 HD13 LEU 37 3HD1 LEU 37 1.225 15.538 5.956
269 HD21 LEU 37 3HD2 LEU 37 3.556 16.500 5.767
270 HD22 LEU 37 1HD2 LEU 37 4.961 15.428 5.893
271 HD23 LEU 37 2HD2 LEU 37 4.008 15.825 7.343
272 H ASP 38 H ASP 38 2.563 11.399 8.971
273 HA ASP 38 HA ASP 38 1.415 13.241 11.011
274 HB2 ASP 38 1HB ASP 38 0.031 13.658 9.123
275 HB3 ASP 38 2HB ASP 38 -0.054 11.963 8.691
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -15.360 4.441 -16.584
2 H2 GLY 1 2H GLY 1 -14.605 5.367 -15.466
3 H3 GLY 1 3H GLY 1 -15.280 6.066 -16.788
4 HA2 GLY 1 1HA GLY 1 -16.672 6.456 -14.873
5 HA3 GLY 1 2HA GLY 1 -17.488 5.433 -16.072
6 H SER 2 H SER 2 -18.844 4.619 -14.376
7 HA SER 2 HA SER 2 -17.822 3.227 -12.071
8 HB2 SER 2 1HB SER 2 -20.561 3.072 -13.381
9 HB3 SER 2 2HB SER 2 -20.143 2.515 -11.749
10 HG SER 2 HG SER 2 -21.070 4.623 -11.744
11 H SER 3 H SER 3 -17.900 1.023 -11.563
12 HA SER 3 HA SER 3 -17.397 -1.158 -11.824
13 HB2 SER 3 1HB SER 3 -19.772 -1.079 -12.705
14 HB3 SER 3 2HB SER 3 -19.081 -1.199 -14.335
15 HG SER 3 HG SER 3 -19.647 -3.248 -13.364
16 H GLY 4 H GLY 4 -16.837 -2.892 -13.819
17 HA2 GLY 4 1HA GLY 4 -15.223 -3.588 -15.319
18 HA3 GLY 4 2HA GLY 4 -14.956 -1.908 -15.787
19 H SER 5 H SER 5 -14.546 -2.650 -12.409
20 HA SER 5 HA SER 5 -11.884 -1.744 -12.259
21 HB2 SER 5 1HB SER 5 -13.341 -3.553 -10.297
22 HB3 SER 5 2HB SER 5 -11.934 -2.530 -9.951
23 HG SER 5 HG SER 5 -13.907 -1.524 -9.333
24 H SER 6 H SER 6 -9.888 -2.744 -11.891
25 HA SER 6 HA SER 6 -9.473 -5.270 -13.258
26 HB2 SER 6 1HB SER 6 -7.090 -4.819 -12.859
27 HB3 SER 6 2HB SER 6 -7.934 -3.451 -13.599
28 HG SER 6 HG SER 6 -6.600 -2.744 -11.896
29 H GLY 7 H GLY 7 -8.279 -7.061 -12.446
30 HA2 GLY 7 1HA GLY 7 -9.278 -8.024 -9.874
31 HA3 GLY 7 2HA GLY 7 -8.388 -8.931 -11.108
32 H ILE 8 H ILE 8 -6.805 -6.047 -10.060
33 HA ILE 8 HA ILE 8 -4.874 -7.709 -8.505
34 HB ILE 8 HB ILE 8 -3.067 -6.682 -9.660
35 HG12 ILE 8 1HG1 ILE 8 -5.106 -5.325 -11.478
36 HG13 ILE 8 2HG1 ILE 8 -4.118 -4.508 -10.262
37 HG21 ILE 8 1HG2 ILE 8 -3.182 -7.940 -11.696
38 HG22 ILE 8 2HG2 ILE 8 -4.092 -8.817 -10.465
39 HG23 ILE 8 3HG2 ILE 8 -4.957 -7.882 -11.708
40 HD11 ILE 8 3HD1 ILE 8 -3.103 -4.155 -12.405
41 HD12 ILE 8 1HD1 ILE 8 -2.058 -5.256 -11.479
42 HD13 ILE 8 2HD1 ILE 8 -3.107 -5.888 -12.773
43 H LEU 9 H LEU 9 -3.401 -6.652 -7.170
44 HA LEU 9 HA LEU 9 -4.600 -4.562 -5.548
45 HB2 LEU 9 1HB LEU 9 -1.824 -5.759 -5.283
46 HB3 LEU 9 2HB LEU 9 -2.770 -4.944 -4.048
47 HG LEU 9 HG LEU 9 -3.176 -7.715 -5.199
48 HD11 LEU 9 1HD1 LEU 9 -2.904 -8.393 -2.853
49 HD12 LEU 9 2HD1 LEU 9 -2.721 -6.693 -2.370
50 HD13 LEU 9 3HD1 LEU 9 -1.511 -7.464 -3.419
51 HD21 LEU 9 3HD2 LEU 9 -5.028 -6.217 -3.309
52 HD22 LEU 9 1HD2 LEU 9 -5.125 -7.953 -3.665
53 HD23 LEU 9 2HD2 LEU 9 -5.442 -6.775 -4.940
54 H LEU 10 H LEU 10 -3.469 -2.677 -4.794
55 HA LEU 10 HA LEU 10 -1.899 -1.179 -6.814
56 HB2 LEU 10 1HB LEU 10 -2.738 -0.356 -4.007
57 HB3 LEU 10 2HB LEU 10 -2.153 0.687 -5.301
58 HG LEU 10 HG LEU 10 -4.837 -0.770 -5.284
59 HD11 LEU 10 1HD1 LEU 10 -4.680 1.030 -3.616
60 HD12 LEU 10 2HD1 LEU 10 -5.783 1.461 -4.933
61 HD13 LEU 10 3HD1 LEU 10 -4.150 2.168 -4.876
62 HD21 LEU 10 3HD2 LEU 10 -4.026 -0.412 -7.586
63 HD22 LEU 10 1HD2 LEU 10 -3.700 1.299 -7.219
64 HD23 LEU 10 2HD2 LEU 10 -5.366 0.682 -7.219
65 H LYS 11 H LYS 11 0.261 -0.463 -6.321
66 HA LYS 11 HA LYS 11 1.706 -2.067 -4.225
67 HB2 LYS 11 1HB LYS 11 2.557 -1.346 -7.056
68 HB3 LYS 11 2HB LYS 11 3.701 -1.760 -5.799
69 HG2 LYS 11 1HG LYS 11 3.399 -3.729 -6.999
70 HG3 LYS 11 2HG LYS 11 2.599 -3.954 -5.454
71 HD2 LYS 11 1HD LYS 11 1.361 -4.976 -7.293
72 HD3 LYS 11 2HD LYS 11 0.397 -3.718 -6.530
73 HE2 LYS 11 1HE LYS 11 0.968 -2.142 -8.355
74 HE3 LYS 11 2HE LYS 11 2.041 -3.346 -9.082
75 HZ1 LYS 11 3HZ LYS 11 0.114 -4.757 -9.476
76 HZ2 LYS 11 1HZ LYS 11 -0.160 -3.291 -10.147
77 HZ3 LYS 11 2HZ LYS 11 -0.892 -3.695 -8.734
78 H CYS 12 H CYS 12 3.343 -1.151 -3.090
79 HA CYS 12 HA CYS 12 3.304 1.675 -2.607
80 HB2 CYS 12 1HB CYS 12 3.764 -0.090 -0.956
81 HB3 CYS 12 2HB CYS 12 5.293 -0.461 -1.784
82 HA PRO 13 HA PRO 13 6.227 2.693 -5.891
83 HB2 PRO 13 1HB PRO 13 6.356 5.383 -5.624
84 HB3 PRO 13 2HB PRO 13 4.837 4.559 -6.094
85 HG2 PRO 13 1HG PRO 13 5.669 5.475 -3.316
86 HG3 PRO 13 2HG PRO 13 4.125 5.805 -4.169
87 HD2 PRO 13 1HD PRO 13 4.429 3.740 -2.387
88 HD3 PRO 13 2HD PRO 13 3.353 3.618 -3.812
89 H THR 14 H THR 14 6.999 3.080 -2.513
90 HA THR 14 HA THR 14 9.485 4.484 -2.804
91 HB THR 14 HB THR 14 8.531 2.774 -0.483
92 HG1 THR 14 1HG THR 14 8.254 5.559 -0.987
93 HG21 THR 14 3HG2 THR 14 10.584 5.028 -0.633
94 HG22 THR 14 1HG2 THR 14 10.873 3.336 -0.164
95 HG23 THR 14 2HG2 THR 14 9.904 4.380 0.874
96 H ASP 15 H ASP 15 11.602 3.826 -2.856
97 HA ASP 15 HA ASP 15 12.227 1.332 -4.072
98 HB2 ASP 15 1HB ASP 15 13.534 3.382 -4.389
99 HB3 ASP 15 2HB ASP 15 14.020 3.360 -2.691
100 H GLY 16 H GLY 16 13.017 -0.577 -3.342
101 HA2 GLY 16 1HA GLY 16 13.696 -2.262 -1.920
102 HA3 GLY 16 2HA GLY 16 13.932 -1.080 -0.634
103 H CYS 17 H CYS 17 10.809 -0.527 -1.484
104 HA CYS 17 HA CYS 17 9.669 -2.226 0.631
105 HB2 CYS 17 1HB CYS 17 9.299 0.264 0.328
106 HB3 CYS 17 2HB CYS 17 8.306 -0.144 -1.082
107 H ASP 18 H ASP 18 7.904 -3.569 0.325
108 HA ASP 18 HA ASP 18 7.389 -4.648 -2.408
109 HB2 ASP 18 1HB ASP 18 7.749 -6.853 -1.776
110 HB3 ASP 18 2HB ASP 18 9.129 -5.987 -1.126
111 H TYR 19 H TYR 19 5.898 -3.063 -0.099
112 HA TYR 19 HA TYR 19 3.661 -4.691 0.644
113 HB2 TYR 19 1HB TYR 19 4.396 -2.829 1.976
114 HB3 TYR 19 2HB TYR 19 4.156 -1.707 0.654
115 HD1 TYR 19 2HD TYR 19 2.486 -3.778 3.233
116 HD2 TYR 19 1HD TYR 19 1.897 -0.861 0.102
117 HE1 TYR 19 2HE TYR 19 0.186 -3.329 4.075
118 HE2 TYR 19 1HE TYR 19 -0.383 -0.406 0.961
119 HH TYR 19 HH TYR 19 -1.727 -2.099 3.819
120 H SER 20 H SER 20 1.626 -4.880 -0.098
121 HA SER 20 HA SER 20 0.613 -3.218 -2.268
122 HB2 SER 20 1HB SER 20 -0.209 -5.204 -3.581
123 HB3 SER 20 2HB SER 20 1.542 -4.949 -3.628
124 HG SER 20 HG SER 20 1.802 -6.605 -2.120
125 H THR 21 H THR 21 -1.640 -3.202 -2.483
126 HA THR 21 HA THR 21 -3.362 -4.634 -0.577
127 HB THR 21 HB THR 21 -2.428 -2.927 0.867
128 HG1 THR 21 1HG THR 21 -4.292 -2.220 1.616
129 HG21 THR 21 3HG2 THR 21 -2.792 -0.547 0.535
130 HG22 THR 21 1HG2 THR 21 -3.559 -0.831 -1.038
131 HG23 THR 21 2HG2 THR 21 -1.833 -1.176 -0.813
132 HA PRO 22 HA PRO 22 -6.145 -3.490 -3.905
133 HB2 PRO 22 1HB PRO 22 -8.569 -4.278 -2.980
134 HB3 PRO 22 2HB PRO 22 -7.267 -5.441 -3.369
135 HG2 PRO 22 1HG PRO 22 -7.999 -4.300 -0.647
136 HG3 PRO 22 2HG PRO 22 -7.750 -6.021 -1.088
137 HD2 PRO 22 1HD PRO 22 -5.793 -4.490 0.047
138 HD3 PRO 22 2HD PRO 22 -5.415 -5.761 -1.140
139 H ASP 23 H ASP 23 -6.123 -1.808 -0.906
140 HA ASP 23 HA ASP 23 -8.292 0.069 -1.763
141 HB2 ASP 23 1HB ASP 23 -8.396 -1.303 0.478
142 HB3 ASP 23 2HB ASP 23 -7.177 -0.183 1.005
143 H LYS 24 H LYS 24 -7.823 2.145 -2.246
144 HA LYS 24 HA LYS 24 -5.119 3.115 -2.286
145 HB2 LYS 24 1HB LYS 24 -6.007 5.164 -3.132
146 HB3 LYS 24 2HB LYS 24 -6.836 3.815 -3.903
147 HG2 LYS 24 1HG LYS 24 -8.802 4.171 -2.407
148 HG3 LYS 24 2HG LYS 24 -7.960 5.527 -1.630
149 HD2 LYS 24 1HD LYS 24 -7.793 6.677 -3.821
150 HD3 LYS 24 2HD LYS 24 -8.728 5.380 -4.580
151 HE2 LYS 24 1HE LYS 24 -9.686 7.164 -2.294
152 HE3 LYS 24 2HE LYS 24 -10.037 7.451 -3.998
153 HZ1 LYS 24 3HZ LYS 24 -10.897 5.038 -2.496
154 HZ2 LYS 24 1HZ LYS 24 -11.234 5.344 -4.070
155 HZ3 LYS 24 2HZ LYS 24 -11.855 6.294 -2.896
156 H TYR 25 H TYR 25 -7.618 3.445 0.204
157 HA TYR 25 HA TYR 25 -6.187 5.606 1.582
158 HB2 TYR 25 1HB TYR 25 -8.440 3.850 2.601
159 HB3 TYR 25 2HB TYR 25 -7.879 5.361 3.291
160 HD1 TYR 25 1HD TYR 25 -7.854 7.428 1.491
161 HD2 TYR 25 2HD TYR 25 -10.403 3.950 1.329
162 HE1 TYR 25 1HE TYR 25 -9.531 8.718 0.185
163 HE2 TYR 25 2HE TYR 25 -12.089 5.249 0.035
164 HH TYR 25 HH TYR 25 -11.595 8.692 -0.829
165 H LYS 26 H LYS 26 -6.411 2.053 1.843
166 HA LYS 26 HA LYS 26 -4.703 1.798 4.184
167 HB2 LYS 26 1HB LYS 26 -5.160 -0.146 1.886
168 HB3 LYS 26 2HB LYS 26 -4.338 -0.518 3.394
169 HG2 LYS 26 1HG LYS 26 -6.413 -0.010 4.672
170 HG3 LYS 26 2HG LYS 26 -7.271 0.296 3.170
171 HD2 LYS 26 1HD LYS 26 -6.764 -2.066 2.447
172 HD3 LYS 26 2HD LYS 26 -5.961 -2.336 4.006
173 HE2 LYS 26 1HE LYS 26 -8.084 -1.772 5.183
174 HE3 LYS 26 2HE LYS 26 -8.883 -1.532 3.625
175 HZ1 LYS 26 3HZ LYS 26 -7.708 -4.098 4.561
176 HZ2 LYS 26 1HZ LYS 26 -8.446 -3.882 3.119
177 HZ3 LYS 26 2HZ LYS 26 -9.299 -3.758 4.502
178 H LEU 27 H LEU 27 -4.012 1.939 0.663
179 HA LEU 27 HA LEU 27 -1.186 1.712 0.935
180 HB2 LEU 27 1HB LEU 27 -2.422 1.459 -1.200
181 HB3 LEU 27 2HB LEU 27 -2.786 3.184 -1.179
182 HG LEU 27 HG LEU 27 -0.388 3.734 -1.374
183 HD11 LEU 27 1HD1 LEU 27 0.676 1.826 -0.259
184 HD12 LEU 27 2HD1 LEU 27 1.240 1.932 -1.923
185 HD13 LEU 27 3HD1 LEU 27 0.027 0.710 -1.490
186 HD21 LEU 27 3HD2 LEU 27 -1.277 1.680 -3.425
187 HD22 LEU 27 1HD2 LEU 27 -0.060 2.951 -3.666
188 HD23 LEU 27 2HD2 LEU 27 -1.758 3.393 -3.409
189 H GLN 28 H GLN 28 -3.207 4.732 0.814
190 HA GLN 28 HA GLN 28 -1.086 6.579 1.211
191 HB2 GLN 28 1HB GLN 28 -4.009 6.597 2.046
192 HB3 GLN 28 2HB GLN 28 -2.956 7.970 2.345
193 HG2 GLN 28 1HG GLN 28 -3.379 6.793 -0.437
194 HG3 GLN 28 2HG GLN 28 -4.379 8.061 0.256
195 HE21 GLN 28 1HE2 GLN 28 -3.221 8.739 -2.075
196 HE22 GLN 28 2HE2 GLN 28 -1.845 9.798 -1.800
197 H ALA 29 H ALA 29 -3.037 4.873 3.699
198 HA ALA 29 HA ALA 29 -1.640 5.869 5.968
199 HB1 ALA 29 1HB ALA 29 -2.634 3.948 7.133
200 HB2 ALA 29 2HB ALA 29 -3.817 4.711 6.053
201 HB3 ALA 29 3HB ALA 29 -3.035 3.187 5.581
202 H HIS 30 H HIS 30 -0.683 3.284 3.700
203 HA HIS 30 HA HIS 30 1.625 2.484 5.339
204 HB2 HIS 30 1HB HIS 30 0.562 0.818 3.966
205 HB3 HIS 30 2HB HIS 30 0.762 1.794 2.511
206 HD1 HIS 30 1HD HIS 30 2.926 -0.237 4.979
207 HD2 HIS 30 2HD HIS 30 3.106 1.811 1.316
208 HE1 HIS 30 1HE HIS 30 5.236 -0.711 4.040
209 H LEU 31 H LEU 31 1.138 4.730 2.530
210 HA LEU 31 HA LEU 31 3.907 5.249 2.077
211 HB2 LEU 31 1HB LEU 31 1.639 7.259 1.896
212 HB3 LEU 31 2HB LEU 31 3.235 7.423 1.184
213 HG LEU 31 HG LEU 31 1.041 5.510 0.341
214 HD11 LEU 31 1HD1 LEU 31 1.147 6.725 -1.759
215 HD12 LEU 31 2HD1 LEU 31 2.468 7.739 -1.136
216 HD13 LEU 31 3HD1 LEU 31 0.846 7.841 -0.417
217 HD21 LEU 31 3HD2 LEU 31 3.884 5.668 -0.727
218 HD22 LEU 31 1HD2 LEU 31 2.534 4.764 -1.462
219 HD23 LEU 31 2HD2 LEU 31 3.151 4.281 0.117
220 H LYS 32 H LYS 32 1.749 6.554 4.558
221 HA LYS 32 HA LYS 32 3.545 8.445 5.734
222 HB2 LYS 32 1HB LYS 32 1.202 6.889 6.890
223 HB3 LYS 32 2HB LYS 32 2.053 8.176 7.753
224 HG2 LYS 32 1HG LYS 32 1.496 9.798 5.992
225 HG3 LYS 32 2HG LYS 32 0.654 8.544 5.068
226 HD2 LYS 32 1HD LYS 32 -0.943 8.225 6.946
227 HD3 LYS 32 2HD LYS 32 -0.106 9.500 7.862
228 HE2 LYS 32 1HE LYS 32 -0.596 11.117 6.028
229 HE3 LYS 32 2HE LYS 32 -1.455 9.848 5.145
230 HZ1 LYS 32 3HZ LYS 32 -3.032 9.718 7.007
231 HZ2 LYS 32 1HZ LYS 32 -2.989 11.238 6.417
232 HZ3 LYS 32 2HZ LYS 32 -2.235 10.891 7.820
233 H VAL 33 H VAL 33 3.876 5.031 5.744
234 HA VAL 33 HA VAL 33 5.456 4.911 8.207
235 HB VAL 33 HB VAL 33 4.129 3.012 6.808
236 HG11 VAL 33 1HG1 VAL 33 5.609 1.430 5.771
237 HG12 VAL 33 2HG1 VAL 33 5.820 2.968 4.927
238 HG13 VAL 33 3HG1 VAL 33 7.037 2.424 6.099
239 HG21 VAL 33 3HG2 VAL 33 6.553 2.529 8.553
240 HG22 VAL 33 1HG2 VAL 33 4.885 2.834 9.101
241 HG23 VAL 33 2HG2 VAL 33 5.254 1.365 8.183
242 H HIS 34 H HIS 34 6.051 5.763 4.891
243 HA HIS 34 HA HIS 34 8.989 5.474 5.131
244 HB2 HIS 34 1HB HIS 34 7.204 6.240 2.790
245 HB3 HIS 34 2HB HIS 34 8.946 6.016 2.719
246 HD1 HIS 34 1HD HIS 34 9.637 3.340 3.757
247 HD2 HIS 34 2HD HIS 34 5.962 4.153 1.882
248 HE1 HIS 34 1HE HIS 34 8.791 1.105 2.911
249 H THR 35 H THR 35 6.619 8.020 5.428
250 HA THR 35 HA THR 35 8.432 10.193 4.719
251 HB THR 35 HB THR 35 6.565 11.655 5.502
252 HG1 THR 35 1HG THR 35 5.552 10.434 7.020
253 HG21 THR 35 3HG2 THR 35 4.991 11.061 3.739
254 HG22 THR 35 1HG2 THR 35 5.702 9.442 3.594
255 HG23 THR 35 2HG2 THR 35 6.656 10.876 3.157
256 H ALA 36 H ALA 36 8.341 8.324 7.479
257 HA ALA 36 HA ALA 36 9.582 10.471 9.136
258 HB1 ALA 36 1HB ALA 36 7.713 8.262 10.085
259 HB2 ALA 36 2HB ALA 36 8.537 9.453 11.116
260 HB3 ALA 36 3HB ALA 36 7.308 9.987 9.953
261 H LEU 37 H LEU 37 11.222 9.833 10.555
262 HA LEU 37 HA LEU 37 12.759 7.444 9.668
263 HB2 LEU 37 1HB LEU 37 13.581 10.019 11.073
264 HB3 LEU 37 2HB LEU 37 14.658 8.675 10.781
265 HG LEU 37 HG LEU 37 15.144 10.311 9.190
266 HD11 LEU 37 1HD1 LEU 37 14.923 9.148 7.088
267 HD12 LEU 37 2HD1 LEU 37 13.558 8.192 7.696
268 HD13 LEU 37 3HD1 LEU 37 15.186 7.963 8.381
269 HD21 LEU 37 3HD2 LEU 37 12.325 10.287 8.074
270 HD22 LEU 37 1HD2 LEU 37 13.693 11.293 7.584
271 HD23 LEU 37 2HD2 LEU 37 12.962 11.532 9.180
272 H ASP 38 H ASP 38 10.735 8.162 12.207
273 HA ASP 38 HA ASP 38 12.207 7.016 14.437
274 HB2 ASP 38 1HB ASP 38 10.507 8.756 14.733
275 HB3 ASP 38 2HB ASP 38 9.264 7.686 14.095
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -11.298 -18.789 -8.249
2 H2 GLY 1 2H GLY 1 -10.233 -18.024 -7.264
3 H3 GLY 1 3H GLY 1 -10.125 -17.839 -8.886
4 HA2 GLY 1 1HA GLY 1 -12.240 -16.697 -8.968
5 HA3 GLY 1 2HA GLY 1 -12.370 -16.909 -7.212
6 H SER 2 H SER 2 -12.571 -14.402 -8.259
7 HA SER 2 HA SER 2 -10.272 -13.017 -7.039
8 HB2 SER 2 1HB SER 2 -9.716 -13.237 -9.475
9 HB3 SER 2 2HB SER 2 -11.188 -12.322 -9.857
10 HG SER 2 HG SER 2 -9.263 -11.020 -9.715
11 H SER 3 H SER 3 -10.746 -10.851 -6.445
12 HA SER 3 HA SER 3 -13.480 -10.546 -5.535
13 HB2 SER 3 1HB SER 3 -11.079 -8.756 -5.051
14 HB3 SER 3 2HB SER 3 -12.606 -8.754 -4.148
15 HG SER 3 HG SER 3 -10.978 -9.975 -3.084
16 H GLY 4 H GLY 4 -13.433 -10.211 -8.356
17 HA2 GLY 4 1HA GLY 4 -14.243 -8.828 -10.037
18 HA3 GLY 4 2HA GLY 4 -14.983 -7.869 -8.755
19 H SER 5 H SER 5 -14.542 -5.794 -9.457
20 HA SER 5 HA SER 5 -12.137 -4.810 -10.585
21 HB2 SER 5 1HB SER 5 -14.112 -3.320 -8.812
22 HB3 SER 5 2HB SER 5 -12.962 -2.601 -9.956
23 HG SER 5 HG SER 5 -15.082 -2.804 -10.845
24 H SER 6 H SER 6 -12.969 -5.354 -7.175
25 HA SER 6 HA SER 6 -10.597 -4.019 -6.117
26 HB2 SER 6 1HB SER 6 -12.534 -5.917 -4.752
27 HB3 SER 6 2HB SER 6 -11.330 -4.884 -3.964
28 HG SER 6 HG SER 6 -13.431 -3.936 -3.971
29 H GLY 7 H GLY 7 -10.884 -6.913 -7.792
30 HA2 GLY 7 1HA GLY 7 -8.934 -8.542 -6.362
31 HA3 GLY 7 2HA GLY 7 -9.528 -8.753 -8.014
32 H ILE 8 H ILE 8 -8.626 -5.698 -8.275
33 HA ILE 8 HA ILE 8 -5.908 -6.274 -9.267
34 HB ILE 8 HB ILE 8 -7.550 -3.719 -9.379
35 HG12 ILE 8 1HG1 ILE 8 -7.065 -5.849 -11.519
36 HG13 ILE 8 2HG1 ILE 8 -8.583 -5.596 -10.661
37 HG21 ILE 8 1HG2 ILE 8 -5.094 -3.313 -9.519
38 HG22 ILE 8 2HG2 ILE 8 -4.979 -4.493 -10.843
39 HG23 ILE 8 3HG2 ILE 8 -5.881 -2.975 -11.046
40 HD11 ILE 8 3HD1 ILE 8 -8.717 -3.283 -11.616
41 HD12 ILE 8 1HD1 ILE 8 -7.312 -3.681 -12.639
42 HD13 ILE 8 2HD1 ILE 8 -8.814 -4.597 -12.804
43 H LEU 9 H LEU 9 -4.143 -5.960 -8.086
44 HA LEU 9 HA LEU 9 -4.253 -4.615 -5.474
45 HB2 LEU 9 1HB LEU 9 -2.187 -6.264 -6.964
46 HB3 LEU 9 2HB LEU 9 -1.743 -5.339 -5.550
47 HG LEU 9 HG LEU 9 -2.121 -7.692 -5.064
48 HD11 LEU 9 1HD1 LEU 9 -4.186 -5.944 -3.681
49 HD12 LEU 9 2HD1 LEU 9 -2.442 -5.966 -3.308
50 HD13 LEU 9 3HD1 LEU 9 -3.426 -7.411 -3.041
51 HD21 LEU 9 3HD2 LEU 9 -4.301 -8.707 -4.967
52 HD22 LEU 9 1HD2 LEU 9 -3.994 -8.162 -6.626
53 HD23 LEU 9 2HD2 LEU 9 -5.081 -7.232 -5.564
54 H LEU 10 H LEU 10 -3.334 -2.788 -4.890
55 HA LEU 10 HA LEU 10 -1.913 -1.047 -6.848
56 HB2 LEU 10 1HB LEU 10 -2.963 -0.366 -4.076
57 HB3 LEU 10 2HB LEU 10 -2.359 0.751 -5.296
58 HG LEU 10 HG LEU 10 -4.942 -0.869 -5.502
59 HD11 LEU 10 1HD1 LEU 10 -5.009 0.898 -3.798
60 HD12 LEU 10 2HD1 LEU 10 -6.047 1.287 -5.179
61 HD13 LEU 10 3HD1 LEU 10 -4.472 2.095 -4.999
62 HD21 LEU 10 3HD2 LEU 10 -3.808 1.306 -7.320
63 HD22 LEU 10 1HD2 LEU 10 -5.431 0.593 -7.442
64 HD23 LEU 10 2HD2 LEU 10 -4.008 -0.411 -7.739
65 H LYS 11 H LYS 11 0.175 -0.245 -6.257
66 HA LYS 11 HA LYS 11 1.613 -1.854 -4.165
67 HB2 LYS 11 1HB LYS 11 2.551 -1.159 -6.972
68 HB3 LYS 11 2HB LYS 11 3.522 -1.954 -5.725
69 HG2 LYS 11 1HG LYS 11 1.840 -3.817 -5.647
70 HG3 LYS 11 2HG LYS 11 0.989 -3.081 -7.008
71 HD2 LYS 11 1HD LYS 11 3.880 -4.051 -7.044
72 HD3 LYS 11 2HD LYS 11 2.486 -4.936 -7.680
73 HE2 LYS 11 1HE LYS 11 2.039 -3.078 -9.281
74 HE3 LYS 11 2HE LYS 11 3.463 -2.221 -8.676
75 HZ1 LYS 11 3HZ LYS 11 3.513 -4.887 -9.989
76 HZ2 LYS 11 1HZ LYS 11 4.828 -4.098 -9.427
77 HZ3 LYS 11 2HZ LYS 11 3.981 -3.486 -10.680
78 H CYS 12 H CYS 12 3.287 -0.971 -3.086
79 HA CYS 12 HA CYS 12 3.323 1.862 -2.670
80 HB2 CYS 12 1HB CYS 12 3.702 0.065 -1.012
81 HB3 CYS 12 2HB CYS 12 5.269 -0.273 -1.774
82 HA PRO 13 HA PRO 13 6.196 2.658 -6.082
83 HB2 PRO 13 1HB PRO 13 6.486 5.393 -4.887
84 HB3 PRO 13 2HB PRO 13 6.017 4.929 -6.549
85 HG2 PRO 13 1HG PRO 13 4.176 5.837 -4.771
86 HG3 PRO 13 2HG PRO 13 3.784 4.466 -5.870
87 HD2 PRO 13 1HD PRO 13 4.707 4.357 -2.984
88 HD3 PRO 13 2HD PRO 13 3.318 3.538 -3.770
89 H THR 14 H THR 14 7.069 3.023 -2.753
90 HA THR 14 HA THR 14 9.723 4.076 -3.035
91 HB THR 14 HB THR 14 8.492 2.501 -0.749
92 HG1 THR 14 1HG THR 14 7.441 4.415 -1.076
93 HG21 THR 14 3HG2 THR 14 10.227 3.676 0.636
94 HG22 THR 14 1HG2 THR 14 11.033 4.186 -0.862
95 HG23 THR 14 2HG2 THR 14 10.908 2.458 -0.445
96 H ASP 15 H ASP 15 11.627 3.179 -3.549
97 HA ASP 15 HA ASP 15 11.687 0.665 -4.819
98 HB2 ASP 15 1HB ASP 15 13.083 2.629 -5.372
99 HB3 ASP 15 2HB ASP 15 13.986 2.416 -3.871
100 H GLY 16 H GLY 16 12.684 1.480 -1.517
101 HA2 GLY 16 1HA GLY 16 13.895 -1.124 -0.941
102 HA3 GLY 16 2HA GLY 16 13.584 0.187 0.195
103 H CYS 17 H CYS 17 10.674 -0.346 -1.347
104 HA CYS 17 HA CYS 17 9.601 -1.797 0.997
105 HB2 CYS 17 1HB CYS 17 8.917 0.525 0.176
106 HB3 CYS 17 2HB CYS 17 8.070 -0.311 -1.136
107 H ASP 18 H ASP 18 7.637 -3.051 0.541
108 HA ASP 18 HA ASP 18 7.656 -4.771 -1.882
109 HB2 ASP 18 1HB ASP 18 9.198 -5.773 -0.141
110 HB3 ASP 18 2HB ASP 18 7.809 -5.922 0.931
111 H TYR 19 H TYR 19 5.871 -2.831 -0.002
112 HA TYR 19 HA TYR 19 3.628 -4.487 0.730
113 HB2 TYR 19 1HB TYR 19 4.320 -2.588 2.043
114 HB3 TYR 19 2HB TYR 19 4.083 -1.500 0.689
115 HD1 TYR 19 2HD TYR 19 2.400 -3.528 3.290
116 HD2 TYR 19 1HD TYR 19 1.835 -0.745 0.040
117 HE1 TYR 19 2HE TYR 19 0.064 -3.114 4.047
118 HE2 TYR 19 1HE TYR 19 -0.489 -0.328 0.808
119 HH TYR 19 HH TYR 19 -1.875 -1.960 3.681
120 H SER 20 H SER 20 1.658 -4.742 -0.113
121 HA SER 20 HA SER 20 0.662 -3.061 -2.271
122 HB2 SER 20 1HB SER 20 -0.030 -4.916 -3.721
123 HB3 SER 20 2HB SER 20 1.732 -4.829 -3.572
124 HG SER 20 HG SER 20 1.670 -6.557 -2.123
125 H THR 21 H THR 21 -1.616 -3.174 -2.572
126 HA THR 21 HA THR 21 -3.292 -4.706 -0.714
127 HB THR 21 HB THR 21 -2.562 -2.975 0.786
128 HG1 THR 21 1HG THR 21 -4.484 -2.321 1.421
129 HG21 THR 21 3HG2 THR 21 -2.978 -0.598 0.427
130 HG22 THR 21 1HG2 THR 21 -3.630 -0.910 -1.193
131 HG23 THR 21 2HG2 THR 21 -1.912 -1.196 -0.853
132 HA PRO 22 HA PRO 22 -6.175 -3.646 -4.022
133 HB2 PRO 22 1HB PRO 22 -8.542 -4.510 -3.012
134 HB3 PRO 22 2HB PRO 22 -7.227 -5.638 -3.472
135 HG2 PRO 22 1HG PRO 22 -7.863 -4.561 -0.704
136 HG3 PRO 22 2HG PRO 22 -7.621 -6.272 -1.194
137 HD2 PRO 22 1HD PRO 22 -5.618 -4.775 -0.122
138 HD3 PRO 22 2HD PRO 22 -5.286 -5.974 -1.394
139 H ASP 23 H ASP 23 -6.070 -2.055 -0.975
140 HA ASP 23 HA ASP 23 -8.351 -0.235 -1.627
141 HB2 ASP 23 1HB ASP 23 -8.270 -1.664 0.532
142 HB3 ASP 23 2HB ASP 23 -6.971 -0.630 1.012
143 H LYS 24 H LYS 24 -7.894 1.751 -2.344
144 HA LYS 24 HA LYS 24 -5.280 2.929 -2.390
145 HB2 LYS 24 1HB LYS 24 -6.341 4.865 -3.323
146 HB3 LYS 24 2HB LYS 24 -7.082 3.423 -4.011
147 HG2 LYS 24 1HG LYS 24 -9.017 3.709 -2.401
148 HG3 LYS 24 2HG LYS 24 -8.245 5.178 -1.794
149 HD2 LYS 24 1HD LYS 24 -9.948 5.837 -3.319
150 HD3 LYS 24 2HD LYS 24 -8.386 6.182 -4.074
151 HE2 LYS 24 1HE LYS 24 -8.581 4.095 -5.418
152 HE3 LYS 24 2HE LYS 24 -10.116 3.722 -4.620
153 HZ1 LYS 24 3HZ LYS 24 -11.036 5.763 -5.591
154 HZ2 LYS 24 1HZ LYS 24 -10.470 4.790 -6.773
155 HZ3 LYS 24 2HZ LYS 24 -9.617 6.106 -6.326
156 H TYR 25 H TYR 25 -7.729 3.032 0.126
157 HA TYR 25 HA TYR 25 -6.459 5.342 1.463
158 HB2 TYR 25 1HB TYR 25 -8.755 3.565 2.336
159 HB3 TYR 25 2HB TYR 25 -8.211 5.030 3.139
160 HD1 TYR 25 2HD TYR 25 -8.259 7.253 1.841
161 HD2 TYR 25 1HD TYR 25 -10.320 3.700 0.516
162 HE1 TYR 25 2HE TYR 25 -9.681 8.638 0.338
163 HE2 TYR 25 1HE TYR 25 -11.746 5.089 -0.982
164 HH TYR 25 HH TYR 25 -11.373 8.649 -1.208
165 H LYS 26 H LYS 26 -6.460 1.801 1.758
166 HA LYS 26 HA LYS 26 -4.847 1.745 4.199
167 HB2 LYS 26 1HB LYS 26 -5.125 -0.364 2.031
168 HB3 LYS 26 2HB LYS 26 -4.374 -0.588 3.599
169 HG2 LYS 26 1HG LYS 26 -6.534 -0.039 4.728
170 HG3 LYS 26 2HG LYS 26 -7.317 0.068 3.169
171 HD2 LYS 26 1HD LYS 26 -6.712 -2.346 2.738
172 HD3 LYS 26 2HD LYS 26 -5.916 -2.385 4.315
173 HE2 LYS 26 1HE LYS 26 -7.984 -3.332 4.791
174 HE3 LYS 26 2HE LYS 26 -8.166 -1.664 5.331
175 HZ1 LYS 26 3HZ LYS 26 -9.204 -2.819 2.797
176 HZ2 LYS 26 1HZ LYS 26 -9.308 -1.226 3.139
177 HZ3 LYS 26 2HZ LYS 26 -10.093 -2.319 4.065
178 H LEU 27 H LEU 27 -4.097 1.819 0.702
179 HA LEU 27 HA LEU 27 -1.267 1.741 1.004
180 HB2 LEU 27 1HB LEU 27 -2.471 1.407 -1.135
181 HB3 LEU 27 2HB LEU 27 -2.941 3.106 -1.130
182 HG LEU 27 HG LEU 27 -0.590 3.797 -1.351
183 HD11 LEU 27 1HD1 LEU 27 1.171 2.118 -1.852
184 HD12 LEU 27 2HD1 LEU 27 0.044 0.813 -1.423
185 HD13 LEU 27 3HD1 LEU 27 0.595 1.980 -0.194
186 HD21 LEU 27 3HD2 LEU 27 -0.210 2.980 -3.628
187 HD22 LEU 27 1HD2 LEU 27 -1.932 3.315 -3.377
188 HD23 LEU 27 2HD2 LEU 27 -1.341 1.636 -3.354
189 H GLN 28 H GLN 28 -3.440 4.635 0.849
190 HA GLN 28 HA GLN 28 -1.452 6.615 1.310
191 HB2 GLN 28 1HB GLN 28 -4.408 6.393 1.997
192 HB3 GLN 28 2HB GLN 28 -3.466 7.825 2.441
193 HG2 GLN 28 1HG GLN 28 -2.854 8.264 0.204
194 HG3 GLN 28 2HG GLN 28 -3.513 6.751 -0.406
195 HE21 GLN 28 1HE2 GLN 28 -5.792 6.493 -0.594
196 HE22 GLN 28 2HE2 GLN 28 -6.881 7.888 -0.548
197 H ALA 29 H ALA 29 -3.344 4.790 3.684
198 HA ALA 29 HA ALA 29 -2.056 5.784 6.023
199 HB1 ALA 29 1HB ALA 29 -3.430 3.102 5.591
200 HB2 ALA 29 2HB ALA 29 -3.111 3.883 7.151
201 HB3 ALA 29 3HB ALA 29 -4.237 4.632 6.005
202 H HIS 30 H HIS 30 -0.818 3.423 3.724
203 HA HIS 30 HA HIS 30 1.387 2.585 5.551
204 HB2 HIS 30 1HB HIS 30 0.451 0.852 4.174
205 HB3 HIS 30 2HB HIS 30 0.559 1.840 2.720
206 HD1 HIS 30 1HD HIS 30 2.888 -0.098 5.105
207 HD2 HIS 30 2HD HIS 30 2.872 1.979 1.453
208 HE1 HIS 30 1HE HIS 30 5.180 -0.477 4.087
209 H LEU 31 H LEU 31 0.967 4.668 2.621
210 HA LEU 31 HA LEU 31 3.706 5.039 2.091
211 HB2 LEU 31 1HB LEU 31 1.314 6.851 1.670
212 HB3 LEU 31 2HB LEU 31 2.906 7.248 1.038
213 HG LEU 31 HG LEU 31 1.467 4.662 0.313
214 HD11 LEU 31 1HD1 LEU 31 1.574 7.303 -1.201
215 HD12 LEU 31 2HD1 LEU 31 0.132 6.589 -0.446
216 HD13 LEU 31 3HD1 LEU 31 0.902 5.776 -1.815
217 HD21 LEU 31 3HD2 LEU 31 3.785 6.111 -1.013
218 HD22 LEU 31 1HD2 LEU 31 2.995 4.610 -1.558
219 HD23 LEU 31 2HD2 LEU 31 3.906 4.618 -0.055
220 H LYS 32 H LYS 32 1.806 6.629 4.587
221 HA LYS 32 HA LYS 32 3.638 8.694 5.320
222 HB2 LYS 32 1HB LYS 32 2.312 8.977 7.210
223 HB3 LYS 32 2HB LYS 32 1.196 8.329 6.011
224 HG2 LYS 32 1HG LYS 32 1.646 6.016 7.084
225 HG3 LYS 32 2HG LYS 32 2.462 6.904 8.385
226 HD2 LYS 32 1HD LYS 32 0.284 8.291 8.565
227 HD3 LYS 32 2HD LYS 32 -0.459 7.040 7.567
228 HE2 LYS 32 1HE LYS 32 0.768 6.763 10.347
229 HE3 LYS 32 2HE LYS 32 -0.927 6.587 9.895
230 HZ1 LYS 32 3HZ LYS 32 1.286 4.726 9.245
231 HZ2 LYS 32 1HZ LYS 32 -0.162 4.620 8.511
232 HZ3 LYS 32 2HZ LYS 32 -0.042 4.411 10.137
233 H VAL 33 H VAL 33 3.953 5.293 5.759
234 HA VAL 33 HA VAL 33 5.564 5.293 8.141
235 HB VAL 33 HB VAL 33 4.176 3.414 6.884
236 HG11 VAL 33 1HG1 VAL 33 5.493 1.748 5.757
237 HG12 VAL 33 2HG1 VAL 33 5.720 3.274 4.894
238 HG13 VAL 33 3HG1 VAL 33 6.991 2.667 5.979
239 HG21 VAL 33 3HG2 VAL 33 5.196 1.719 8.180
240 HG22 VAL 33 1HG2 VAL 33 6.639 2.732 8.473
241 HG23 VAL 33 2HG2 VAL 33 5.043 3.209 9.117
242 H HIS 34 H HIS 34 6.351 5.910 4.806
243 HA HIS 34 HA HIS 34 9.175 5.226 5.070
244 HB2 HIS 34 1HB HIS 34 7.505 6.359 2.799
245 HB3 HIS 34 2HB HIS 34 9.222 5.985 2.669
246 HD1 HIS 34 1HD HIS 34 9.748 3.257 3.553
247 HD2 HIS 34 2HD HIS 34 6.013 4.364 1.959
248 HE1 HIS 34 1HE HIS 34 8.667 1.098 2.787
249 H THR 35 H THR 35 7.479 8.100 5.845
250 HA THR 35 HA THR 35 9.838 9.841 5.387
251 HB THR 35 HB THR 35 8.425 11.649 6.259
252 HG1 THR 35 1HG THR 35 6.257 11.223 6.658
253 HG21 THR 35 3HG2 THR 35 8.390 11.097 3.829
254 HG22 THR 35 1HG2 THR 35 6.859 11.778 4.401
255 HG23 THR 35 2HG2 THR 35 6.993 10.031 4.103
256 H ALA 36 H ALA 36 8.861 7.713 7.820
257 HA ALA 36 HA ALA 36 9.796 9.194 10.132
258 HB1 ALA 36 1HB ALA 36 9.299 6.216 9.723
259 HB2 ALA 36 2HB ALA 36 9.515 7.039 11.281
260 HB3 ALA 36 3HB ALA 36 8.102 7.408 10.277
261 H LEU 37 H LEU 37 11.664 8.780 11.390
262 HA LEU 37 HA LEU 37 14.088 8.442 9.838
263 HB2 LEU 37 1HB LEU 37 13.770 10.129 11.625
264 HB3 LEU 37 2HB LEU 37 13.613 8.840 12.819
265 HG LEU 37 HG LEU 37 15.967 8.163 12.417
266 HD11 LEU 37 1HD1 LEU 37 16.044 10.578 10.548
267 HD12 LEU 37 2HD1 LEU 37 16.288 8.877 10.083
268 HD13 LEU 37 3HD1 LEU 37 17.464 9.678 11.126
269 HD21 LEU 37 3HD2 LEU 37 15.624 11.133 12.995
270 HD22 LEU 37 1HD2 LEU 37 17.011 10.120 13.459
271 HD23 LEU 37 2HD2 LEU 37 15.417 9.809 14.165
272 H ASP 38 H ASP 38 12.296 6.360 12.038
273 HA ASP 38 HA ASP 38 14.037 4.045 11.451
274 HB2 ASP 38 1HB ASP 38 15.011 5.041 13.482
275 HB3 ASP 38 2HB ASP 38 13.441 5.012 14.276
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -13.975 -8.147 -12.383
2 H2 GLY 1 2H GLY 1 -14.770 -8.997 -11.237
3 H3 GLY 1 3H GLY 1 -15.554 -8.548 -12.607
4 HA2 GLY 1 1HA GLY 1 -13.261 -10.410 -12.512
5 HA3 GLY 1 2HA GLY 1 -14.957 -10.915 -12.645
6 H SER 2 H SER 2 -15.275 -11.630 -14.705
7 HA SER 2 HA SER 2 -14.055 -10.501 -17.079
8 HB2 SER 2 1HB SER 2 -15.794 -11.854 -18.250
9 HB3 SER 2 2HB SER 2 -14.833 -12.779 -17.084
10 HG SER 2 HG SER 2 -17.089 -13.215 -16.899
11 H SER 3 H SER 3 -16.940 -9.799 -15.238
12 HA SER 3 HA SER 3 -17.407 -7.300 -16.810
13 HB2 SER 3 1HB SER 3 -19.509 -9.035 -15.446
14 HB3 SER 3 2HB SER 3 -19.793 -7.443 -16.167
15 HG SER 3 HG SER 3 -18.900 -9.793 -17.517
16 H GLY 4 H GLY 4 -18.227 -5.520 -15.496
17 HA2 GLY 4 1HA GLY 4 -18.280 -4.138 -13.645
18 HA3 GLY 4 2HA GLY 4 -18.343 -5.574 -12.632
19 H SER 5 H SER 5 -17.056 -4.290 -11.151
20 HA SER 5 HA SER 5 -14.275 -3.630 -11.762
21 HB2 SER 5 1HB SER 5 -14.202 -2.969 -9.377
22 HB3 SER 5 2HB SER 5 -15.514 -2.199 -10.281
23 HG SER 5 HG SER 5 -16.215 -3.000 -8.240
24 H SER 6 H SER 6 -12.501 -4.385 -10.364
25 HA SER 6 HA SER 6 -12.684 -7.198 -9.405
26 HB2 SER 6 1HB SER 6 -10.645 -6.138 -11.401
27 HB3 SER 6 2HB SER 6 -10.515 -7.687 -10.550
28 HG SER 6 HG SER 6 -11.461 -7.815 -12.679
29 H GLY 7 H GLY 7 -11.117 -7.782 -7.878
30 HA2 GLY 7 1HA GLY 7 -10.239 -5.662 -6.104
31 HA3 GLY 7 2HA GLY 7 -10.049 -7.398 -5.869
32 H ILE 8 H ILE 8 -8.783 -4.991 -8.231
33 HA ILE 8 HA ILE 8 -6.250 -6.327 -8.534
34 HB ILE 8 HB ILE 8 -7.036 -3.509 -9.356
35 HG12 ILE 8 1HG1 ILE 8 -8.629 -4.982 -10.390
36 HG13 ILE 8 2HG1 ILE 8 -7.493 -4.430 -11.598
37 HG21 ILE 8 1HG2 ILE 8 -5.256 -3.811 -11.090
38 HG22 ILE 8 2HG2 ILE 8 -4.629 -3.772 -9.445
39 HG23 ILE 8 3HG2 ILE 8 -4.774 -5.325 -10.297
40 HD11 ILE 8 3HD1 ILE 8 -7.505 -7.192 -10.295
41 HD12 ILE 8 1HD1 ILE 8 -8.021 -6.786 -11.937
42 HD13 ILE 8 2HD1 ILE 8 -6.314 -6.635 -11.496
43 H LEU 9 H LEU 9 -4.430 -6.104 -7.504
44 HA LEU 9 HA LEU 9 -4.208 -4.586 -5.045
45 HB2 LEU 9 1HB LEU 9 -2.271 -6.309 -6.639
46 HB3 LEU 9 2HB LEU 9 -1.760 -5.418 -5.227
47 HG LEU 9 HG LEU 9 -2.128 -7.719 -4.677
48 HD11 LEU 9 1HD1 LEU 9 -2.573 -5.988 -2.961
49 HD12 LEU 9 2HD1 LEU 9 -3.506 -7.471 -2.710
50 HD13 LEU 9 3HD1 LEU 9 -4.306 -6.042 -3.386
51 HD21 LEU 9 3HD2 LEU 9 -4.270 -8.817 -4.673
52 HD22 LEU 9 1HD2 LEU 9 -3.917 -8.265 -6.318
53 HD23 LEU 9 2HD2 LEU 9 -5.081 -7.376 -5.303
54 H LEU 10 H LEU 10 -3.387 -2.669 -4.648
55 HA LEU 10 HA LEU 10 -1.934 -1.107 -6.724
56 HB2 LEU 10 1HB LEU 10 -2.914 -0.228 -3.986
57 HB3 LEU 10 2HB LEU 10 -2.329 0.794 -5.296
58 HG LEU 10 HG LEU 10 -4.938 -0.794 -5.294
59 HD11 LEU 10 1HD1 LEU 10 -5.996 1.405 -5.133
60 HD12 LEU 10 2HD1 LEU 10 -4.403 2.198 -5.102
61 HD13 LEU 10 3HD1 LEU 10 -4.903 1.138 -3.765
62 HD21 LEU 10 3HD2 LEU 10 -3.820 1.169 -7.348
63 HD22 LEU 10 1HD2 LEU 10 -5.464 0.493 -7.348
64 HD23 LEU 10 2HD2 LEU 10 -4.078 -0.575 -7.592
65 H LYS 11 H LYS 11 0.227 -0.526 -6.377
66 HA LYS 11 HA LYS 11 1.661 -2.022 -4.200
67 HB2 LYS 11 1HB LYS 11 2.496 -1.315 -7.038
68 HB3 LYS 11 2HB LYS 11 3.641 -1.757 -5.791
69 HG2 LYS 11 1HG LYS 11 3.272 -3.711 -7.019
70 HG3 LYS 11 2HG LYS 11 2.514 -3.932 -5.455
71 HD2 LYS 11 1HD LYS 11 1.183 -4.919 -7.232
72 HD3 LYS 11 2HD LYS 11 0.278 -3.610 -6.480
73 HE2 LYS 11 1HE LYS 11 0.878 -2.099 -8.354
74 HE3 LYS 11 2HE LYS 11 1.896 -3.358 -9.063
75 HZ1 LYS 11 3HZ LYS 11 -1.049 -3.579 -8.690
76 HZ2 LYS 11 1HZ LYS 11 -0.092 -4.709 -9.393
77 HZ3 LYS 11 2HZ LYS 11 -0.304 -3.259 -10.113
78 H CYS 12 H CYS 12 3.260 -1.100 -3.026
79 HA CYS 12 HA CYS 12 3.323 1.752 -2.655
80 HB2 CYS 12 1HB CYS 12 3.709 0.055 -0.913
81 HB3 CYS 12 2HB CYS 12 5.209 -0.434 -1.728
82 HA PRO 13 HA PRO 13 6.285 2.413 -6.017
83 HB2 PRO 13 1HB PRO 13 6.444 5.112 -5.996
84 HB3 PRO 13 2HB PRO 13 4.910 4.275 -6.388
85 HG2 PRO 13 1HG PRO 13 5.766 5.417 -3.700
86 HG3 PRO 13 2HG PRO 13 4.229 5.703 -4.579
87 HD2 PRO 13 1HD PRO 13 4.506 3.787 -2.623
88 HD3 PRO 13 2HD PRO 13 3.406 3.578 -4.021
89 H THR 14 H THR 14 7.029 2.749 -2.720
90 HA THR 14 HA THR 14 9.424 4.346 -2.911
91 HB THR 14 HB THR 14 8.602 2.558 -0.600
92 HG1 THR 14 1HG THR 14 6.919 3.884 -0.903
93 HG21 THR 14 3HG2 THR 14 10.858 3.435 -0.310
94 HG22 THR 14 1HG2 THR 14 9.761 4.343 0.730
95 HG23 THR 14 2HG2 THR 14 10.327 5.069 -0.785
96 H ASP 15 H ASP 15 11.576 3.808 -2.946
97 HA ASP 15 HA ASP 15 12.385 1.317 -4.068
98 HB2 ASP 15 1HB ASP 15 13.598 3.419 -4.403
99 HB3 ASP 15 2HB ASP 15 14.007 3.483 -2.685
100 H GLY 16 H GLY 16 13.140 -0.552 -3.233
101 HA2 GLY 16 1HA GLY 16 13.801 -2.165 -1.723
102 HA3 GLY 16 2HA GLY 16 13.998 -0.926 -0.484
103 H CYS 17 H CYS 17 10.877 -0.469 -1.471
104 HA CYS 17 HA CYS 17 9.706 -2.085 0.696
105 HB2 CYS 17 1HB CYS 17 9.276 0.376 0.243
106 HB3 CYS 17 2HB CYS 17 8.313 -0.147 -1.150
107 H ASP 18 H ASP 18 7.827 -3.327 0.348
108 HA ASP 18 HA ASP 18 7.528 -4.688 -2.293
109 HB2 ASP 18 1HB ASP 18 9.235 -5.858 -0.837
110 HB3 ASP 18 2HB ASP 18 7.958 -6.152 0.339
111 H TYR 19 H TYR 19 5.934 -2.957 -0.126
112 HA TYR 19 HA TYR 19 3.719 -4.622 0.661
113 HB2 TYR 19 1HB TYR 19 4.480 -2.745 1.984
114 HB3 TYR 19 2HB TYR 19 4.181 -1.631 0.669
115 HD1 TYR 19 2HD TYR 19 2.619 -3.760 3.272
116 HD2 TYR 19 1HD TYR 19 1.891 -0.838 0.176
117 HE1 TYR 19 2HE TYR 19 0.319 -3.393 4.153
118 HE2 TYR 19 1HE TYR 19 -0.391 -0.466 1.073
119 HH TYR 19 HH TYR 19 -1.639 -2.229 3.932
120 H SER 20 H SER 20 1.679 -4.813 -0.086
121 HA SER 20 HA SER 20 0.644 -3.030 -2.131
122 HB2 SER 20 1HB SER 20 -0.124 -4.749 -3.665
123 HB3 SER 20 2HB SER 20 1.636 -4.785 -3.536
124 HG SER 20 HG SER 20 1.474 -6.585 -2.180
125 H THR 21 H THR 21 -1.631 -3.057 -2.360
126 HA THR 21 HA THR 21 -3.311 -4.653 -0.558
127 HB THR 21 HB THR 21 -2.487 -3.004 1.001
128 HG1 THR 21 1HG THR 21 -4.387 -2.411 1.744
129 HG21 THR 21 3HG2 THR 21 -2.881 -0.625 0.790
130 HG22 THR 21 1HG2 THR 21 -3.643 -0.834 -0.799
131 HG23 THR 21 2HG2 THR 21 -1.911 -1.150 -0.594
132 HA PRO 22 HA PRO 22 -6.052 -3.552 -3.904
133 HB2 PRO 22 1HB PRO 22 -8.481 -4.420 -3.044
134 HB3 PRO 22 2HB PRO 22 -7.130 -5.536 -3.414
135 HG2 PRO 22 1HG PRO 22 -7.939 -4.437 -0.698
136 HG3 PRO 22 2HG PRO 22 -7.657 -6.150 -1.152
137 HD2 PRO 22 1HD PRO 22 -5.729 -4.644 0.025
138 HD3 PRO 22 2HD PRO 22 -5.320 -5.837 -1.233
139 H ASP 23 H ASP 23 -6.108 -1.804 -0.973
140 HA ASP 23 HA ASP 23 -8.299 0.003 -1.923
141 HB2 ASP 23 1HB ASP 23 -8.510 -1.291 0.330
142 HB3 ASP 23 2HB ASP 23 -7.279 -0.195 0.885
143 H LYS 24 H LYS 24 -7.903 2.050 -2.385
144 HA LYS 24 HA LYS 24 -5.370 3.298 -2.599
145 HB2 LYS 24 1HB LYS 24 -7.352 4.017 -3.834
146 HB3 LYS 24 2HB LYS 24 -8.217 4.364 -2.335
147 HG2 LYS 24 1HG LYS 24 -6.607 6.224 -1.855
148 HG3 LYS 24 2HG LYS 24 -5.825 5.916 -3.421
149 HD2 LYS 24 1HD LYS 24 -7.911 6.469 -4.593
150 HD3 LYS 24 2HD LYS 24 -8.792 6.541 -3.057
151 HE2 LYS 24 1HE LYS 24 -7.209 8.402 -2.343
152 HE3 LYS 24 2HE LYS 24 -6.601 8.431 -4.006
153 HZ1 LYS 24 3HZ LYS 24 -9.415 8.925 -3.165
154 HZ2 LYS 24 1HZ LYS 24 -8.908 8.910 -4.725
155 HZ3 LYS 24 2HZ LYS 24 -8.370 10.062 -3.701
156 H TYR 25 H TYR 25 -7.706 3.481 0.126
157 HA TYR 25 HA TYR 25 -6.090 5.546 1.437
158 HB2 TYR 25 1HB TYR 25 -8.594 4.133 2.390
159 HB3 TYR 25 2HB TYR 25 -7.860 5.568 3.099
160 HD1 TYR 25 1HD TYR 25 -7.560 7.657 1.570
161 HD2 TYR 25 2HD TYR 25 -10.169 4.360 0.601
162 HE1 TYR 25 1HE TYR 25 -8.722 9.072 -0.119
163 HE2 TYR 25 2HE TYR 25 -11.336 5.780 -1.079
164 HH TYR 25 HH TYR 25 -11.463 7.839 -2.074
165 H LYS 26 H LYS 26 -6.498 2.040 1.720
166 HA LYS 26 HA LYS 26 -4.869 1.748 4.123
167 HB2 LYS 26 1HB LYS 26 -5.303 -0.198 1.822
168 HB3 LYS 26 2HB LYS 26 -4.526 -0.574 3.354
169 HG2 LYS 26 1HG LYS 26 -6.625 -0.023 4.574
170 HG3 LYS 26 2HG LYS 26 -7.437 0.289 3.049
171 HD2 LYS 26 1HD LYS 26 -6.957 -2.084 2.351
172 HD3 LYS 26 2HD LYS 26 -6.196 -2.360 3.931
173 HE2 LYS 26 1HE LYS 26 -8.337 -1.753 5.055
174 HE3 LYS 26 2HE LYS 26 -9.093 -1.507 3.476
175 HZ1 LYS 26 3HZ LYS 26 -9.572 -3.720 4.355
176 HZ2 LYS 26 1HZ LYS 26 -7.986 -4.089 4.452
177 HZ3 LYS 26 2HZ LYS 26 -8.686 -3.866 2.991
178 H LEU 27 H LEU 27 -4.096 1.939 0.620
179 HA LEU 27 HA LEU 27 -1.277 1.638 0.980
180 HB2 LEU 27 1HB LEU 27 -2.478 1.399 -1.197
181 HB3 LEU 27 2HB LEU 27 -2.760 3.132 -1.212
182 HG LEU 27 HG LEU 27 -0.351 3.587 -1.337
183 HD11 LEU 27 1HD1 LEU 27 -0.017 0.552 -1.351
184 HD12 LEU 27 2HD1 LEU 27 0.622 1.690 -0.133
185 HD13 LEU 27 3HD1 LEU 27 1.248 1.725 -1.777
186 HD21 LEU 27 3HD2 LEU 27 -1.669 3.205 -3.411
187 HD22 LEU 27 1HD2 LEU 27 -1.196 1.489 -3.362
188 HD23 LEU 27 2HD2 LEU 27 0.036 2.747 -3.591
189 H GLN 28 H GLN 28 -3.271 4.668 0.824
190 HA GLN 28 HA GLN 28 -1.150 6.498 1.297
191 HB2 GLN 28 1HB GLN 28 -4.089 6.560 2.109
192 HB3 GLN 28 2HB GLN 28 -2.975 7.908 2.387
193 HG2 GLN 28 1HG GLN 28 -2.419 7.953 -0.002
194 HG3 GLN 28 2HG GLN 28 -3.604 6.704 -0.344
195 HE21 GLN 28 1HE2 GLN 28 -3.954 8.976 -1.762
196 HE22 GLN 28 2HE2 GLN 28 -5.261 9.941 -1.087
197 H ALA 29 H ALA 29 -3.106 4.730 3.665
198 HA ALA 29 HA ALA 29 -1.755 5.667 5.999
199 HB1 ALA 29 1HB ALA 29 -3.978 4.598 6.016
200 HB2 ALA 29 2HB ALA 29 -3.245 3.046 5.555
201 HB3 ALA 29 3HB ALA 29 -2.860 3.781 7.124
202 H HIS 30 H HIS 30 -0.640 3.328 3.636
203 HA HIS 30 HA HIS 30 1.582 2.429 5.401
204 HB2 HIS 30 1HB HIS 30 0.616 0.729 4.009
205 HB3 HIS 30 2HB HIS 30 0.753 1.727 2.563
206 HD1 HIS 30 1HD HIS 30 3.031 -0.233 4.981
207 HD2 HIS 30 2HD HIS 30 3.086 1.856 1.335
208 HE1 HIS 30 1HE HIS 30 5.345 -0.607 4.010
209 H LEU 31 H LEU 31 1.105 4.599 2.532
210 HA LEU 31 HA LEU 31 3.823 5.082 1.983
211 HB2 LEU 31 1HB LEU 31 1.465 6.984 1.820
212 HB3 LEU 31 2HB LEU 31 3.043 7.335 1.136
213 HG LEU 31 HG LEU 31 1.263 5.030 0.252
214 HD11 LEU 31 1HD1 LEU 31 1.906 7.672 -1.109
215 HD12 LEU 31 2HD1 LEU 31 0.359 7.261 -0.339
216 HD13 LEU 31 3HD1 LEU 31 0.897 6.359 -1.763
217 HD21 LEU 31 3HD2 LEU 31 3.871 6.079 -0.902
218 HD22 LEU 31 1HD2 LEU 31 2.790 4.890 -1.666
219 HD23 LEU 31 2HD2 LEU 31 3.606 4.482 -0.156
220 H LYS 32 H LYS 32 1.846 6.624 4.520
221 HA LYS 32 HA LYS 32 3.788 8.520 5.393
222 HB2 LYS 32 1HB LYS 32 2.556 8.597 7.493
223 HB3 LYS 32 2HB LYS 32 1.500 8.721 6.086
224 HG2 LYS 32 1HG LYS 32 0.641 6.523 6.386
225 HG3 LYS 32 2HG LYS 32 1.908 6.090 7.556
226 HD2 LYS 32 1HD LYS 32 1.023 7.678 9.188
227 HD3 LYS 32 2HD LYS 32 -0.151 8.288 8.022
228 HE2 LYS 32 1HE LYS 32 -1.188 6.820 9.689
229 HE3 LYS 32 2HE LYS 32 -1.392 6.210 8.048
230 HZ1 LYS 32 3HZ LYS 32 -0.743 4.487 9.695
231 HZ2 LYS 32 1HZ LYS 32 0.705 5.210 9.903
232 HZ3 LYS 32 2HZ LYS 32 0.289 4.573 8.438
233 H VAL 33 H VAL 33 3.849 5.087 5.855
234 HA VAL 33 HA VAL 33 5.547 5.016 8.177
235 HB VAL 33 HB VAL 33 4.167 3.132 6.845
236 HG11 VAL 33 1HG1 VAL 33 7.031 2.449 6.043
237 HG12 VAL 33 2HG1 VAL 33 5.561 1.503 5.761
238 HG13 VAL 33 3HG1 VAL 33 5.798 3.033 4.908
239 HG21 VAL 33 3HG2 VAL 33 5.258 1.451 8.177
240 HG22 VAL 33 1HG2 VAL 33 6.623 2.550 8.509
241 HG23 VAL 33 2HG2 VAL 33 4.987 2.931 9.110
242 H HIS 34 H HIS 34 6.201 5.760 4.844
243 HA HIS 34 HA HIS 34 9.124 5.448 5.127
244 HB2 HIS 34 1HB HIS 34 7.388 6.311 2.785
245 HB3 HIS 34 2HB HIS 34 9.125 6.035 2.732
246 HD1 HIS 34 1HD HIS 34 9.760 3.338 3.661
247 HD2 HIS 34 2HD HIS 34 6.035 4.254 1.932
248 HE1 HIS 34 1HE HIS 34 8.833 1.132 2.827
249 H THR 35 H THR 35 6.806 8.002 5.563
250 HA THR 35 HA THR 35 8.914 10.104 5.258
251 HB THR 35 HB THR 35 7.074 11.710 5.199
252 HG1 THR 35 1HG THR 35 4.976 10.971 5.054
253 HG21 THR 35 3HG2 THR 35 6.641 9.464 3.176
254 HG22 THR 35 1HG2 THR 35 7.914 10.701 3.073
255 HG23 THR 35 2HG2 THR 35 6.210 11.177 2.987
256 H ALA 36 H ALA 36 6.778 8.639 7.675
257 HA ALA 36 HA ALA 36 7.283 10.582 9.737
258 HB1 ALA 36 1HB ALA 36 5.350 9.057 9.750
259 HB2 ALA 36 2HB ALA 36 6.440 7.660 9.911
260 HB3 ALA 36 3HB ALA 36 6.328 8.860 11.216
261 H LEU 37 H LEU 37 8.565 10.342 11.646
262 HA LEU 37 HA LEU 37 10.688 8.407 11.823
263 HB2 LEU 37 1HB LEU 37 12.543 9.825 11.689
264 HB3 LEU 37 2HB LEU 37 11.630 10.105 10.222
265 HG LEU 37 HG LEU 37 11.726 11.957 12.655
266 HD11 LEU 37 1HD1 LEU 37 13.061 13.409 11.203
267 HD12 LEU 37 2HD1 LEU 37 12.969 12.215 9.889
268 HD13 LEU 37 3HD1 LEU 37 13.838 11.832 11.391
269 HD21 LEU 37 3HD2 LEU 37 9.600 12.332 11.524
270 HD22 LEU 37 1HD2 LEU 37 10.404 12.350 9.935
271 HD23 LEU 37 2HD2 LEU 37 10.697 13.647 11.116
272 H ASP 38 H ASP 38 11.785 8.527 13.792
273 HA ASP 38 HA ASP 38 10.763 10.224 15.999
274 HB2 ASP 38 1HB ASP 38 9.299 8.248 15.981
275 HB3 ASP 38 2HB ASP 38 10.699 7.182 16.034
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -3.717 -15.994 -7.148
2 H2 GLY 1 2H GLY 1 -2.654 -16.981 -6.383
3 H3 GLY 1 3H GLY 1 -2.258 -16.304 -7.823
4 HA2 GLY 1 1HA GLY 1 -2.676 -14.837 -5.298
5 HA3 GLY 1 2HA GLY 1 -1.103 -15.166 -6.052
6 H SER 2 H SER 2 -2.994 -12.678 -5.513
7 HA SER 2 HA SER 2 -3.684 -10.761 -6.494
8 HB2 SER 2 1HB SER 2 -1.208 -11.121 -8.207
9 HB3 SER 2 2HB SER 2 -2.091 -9.606 -7.939
10 HG SER 2 HG SER 2 -0.255 -9.886 -6.538
11 H SER 3 H SER 3 -5.079 -12.937 -7.453
12 HA SER 3 HA SER 3 -5.868 -12.190 -10.220
13 HB2 SER 3 1HB SER 3 -5.822 -14.584 -10.850
14 HB3 SER 3 2HB SER 3 -4.215 -13.948 -10.474
15 HG SER 3 HG SER 3 -4.797 -16.062 -9.547
16 H GLY 4 H GLY 4 -7.887 -13.321 -10.914
17 HA2 GLY 4 1HA GLY 4 -10.110 -13.909 -10.617
18 HA3 GLY 4 2HA GLY 4 -9.703 -14.485 -9.002
19 H SER 5 H SER 5 -11.246 -13.590 -7.734
20 HA SER 5 HA SER 5 -12.298 -10.911 -8.101
21 HB2 SER 5 1HB SER 5 -13.758 -11.520 -6.188
22 HB3 SER 5 2HB SER 5 -13.788 -12.679 -7.521
23 HG SER 5 HG SER 5 -12.483 -12.932 -5.007
24 H SER 6 H SER 6 -9.524 -10.744 -7.595
25 HA SER 6 HA SER 6 -8.943 -10.098 -4.829
26 HB2 SER 6 1HB SER 6 -6.787 -9.383 -5.719
27 HB3 SER 6 2HB SER 6 -7.259 -10.934 -6.435
28 HG SER 6 HG SER 6 -6.527 -9.532 -8.063
29 H GLY 7 H GLY 7 -10.358 -8.267 -7.411
30 HA2 GLY 7 1HA GLY 7 -11.077 -6.056 -7.518
31 HA3 GLY 7 2HA GLY 7 -10.417 -5.749 -5.909
32 H ILE 8 H ILE 8 -8.078 -7.193 -7.866
33 HA ILE 8 HA ILE 8 -6.122 -6.616 -8.712
34 HB ILE 8 HB ILE 8 -7.306 -3.956 -9.544
35 HG12 ILE 8 1HG1 ILE 8 -7.038 -6.595 -11.066
36 HG13 ILE 8 2HG1 ILE 8 -8.548 -5.915 -10.462
37 HG21 ILE 8 1HG2 ILE 8 -4.801 -5.414 -10.510
38 HG22 ILE 8 2HG2 ILE 8 -5.439 -3.888 -11.155
39 HG23 ILE 8 3HG2 ILE 8 -4.824 -3.936 -9.520
40 HD11 ILE 8 3HD1 ILE 8 -6.834 -4.768 -12.685
41 HD12 ILE 8 1HD1 ILE 8 -8.459 -5.456 -12.789
42 HD13 ILE 8 2HD1 ILE 8 -8.212 -3.915 -11.941
43 H LEU 9 H LEU 9 -4.265 -6.208 -7.776
44 HA LEU 9 HA LEU 9 -4.244 -4.742 -5.242
45 HB2 LEU 9 1HB LEU 9 -2.255 -6.504 -6.712
46 HB3 LEU 9 2HB LEU 9 -1.783 -5.576 -5.310
47 HG LEU 9 HG LEU 9 -2.232 -7.895 -4.762
48 HD11 LEU 9 1HD1 LEU 9 -4.299 -6.081 -3.476
49 HD12 LEU 9 2HD1 LEU 9 -2.566 -6.121 -3.059
50 HD13 LEU 9 3HD1 LEU 9 -3.580 -7.545 -2.785
51 HD21 LEU 9 3HD2 LEU 9 -4.424 -8.877 -4.718
52 HD22 LEU 9 1HD2 LEU 9 -4.090 -8.341 -6.376
53 HD23 LEU 9 2HD2 LEU 9 -5.178 -7.393 -5.329
54 H LEU 10 H LEU 10 -3.354 -2.885 -4.778
55 HA LEU 10 HA LEU 10 -1.863 -1.272 -6.789
56 HB2 LEU 10 1HB LEU 10 -2.862 -0.456 -4.036
57 HB3 LEU 10 2HB LEU 10 -2.271 0.594 -5.319
58 HG LEU 10 HG LEU 10 -4.887 -0.984 -5.391
59 HD11 LEU 10 1HD1 LEU 10 -4.352 1.986 -4.997
60 HD12 LEU 10 2HD1 LEU 10 -4.889 0.841 -3.746
61 HD13 LEU 10 3HD1 LEU 10 -5.947 1.207 -5.119
62 HD21 LEU 10 3HD2 LEU 10 -3.996 -0.621 -7.663
63 HD22 LEU 10 1HD2 LEU 10 -3.769 1.109 -7.311
64 HD23 LEU 10 2HD2 LEU 10 -5.403 0.410 -7.369
65 H LYS 11 H LYS 11 0.255 -0.458 -6.169
66 HA LYS 11 HA LYS 11 1.555 -1.862 -3.867
67 HB2 LYS 11 1HB LYS 11 2.691 -1.551 -6.674
68 HB3 LYS 11 2HB LYS 11 3.582 -2.091 -5.255
69 HG2 LYS 11 1HG LYS 11 1.719 -3.918 -5.033
70 HG3 LYS 11 2HG LYS 11 1.304 -3.487 -6.689
71 HD2 LYS 11 1HD LYS 11 2.760 -5.380 -6.786
72 HD3 LYS 11 2HD LYS 11 3.704 -3.988 -7.343
73 HE2 LYS 11 1HE LYS 11 4.747 -3.806 -5.083
74 HE3 LYS 11 2HE LYS 11 3.759 -5.152 -4.509
75 HZ1 LYS 11 3HZ LYS 11 5.811 -5.333 -6.652
76 HZ2 LYS 11 1HZ LYS 11 4.894 -6.583 -6.122
77 HZ3 LYS 11 2HZ LYS 11 5.985 -5.887 -5.122
78 H CYS 12 H CYS 12 3.277 -0.970 -2.909
79 HA CYS 12 HA CYS 12 3.362 1.884 -2.638
80 HB2 CYS 12 1HB CYS 12 3.697 0.158 -0.892
81 HB3 CYS 12 2HB CYS 12 5.229 -0.301 -1.660
82 HA PRO 13 HA PRO 13 6.304 2.520 -5.978
83 HB2 PRO 13 1HB PRO 13 6.700 5.195 -5.821
84 HB3 PRO 13 2HB PRO 13 5.096 4.502 -6.209
85 HG2 PRO 13 1HG PRO 13 6.111 5.429 -3.496
86 HG3 PRO 13 2HG PRO 13 4.578 5.878 -4.312
87 HD2 PRO 13 1HD PRO 13 4.732 3.859 -2.466
88 HD3 PRO 13 2HD PRO 13 3.615 3.782 -3.863
89 H THR 14 H THR 14 7.259 2.940 -2.661
90 HA THR 14 HA THR 14 9.870 4.047 -3.040
91 HB THR 14 HB THR 14 8.746 2.407 -0.748
92 HG1 THR 14 1HG THR 14 8.424 4.459 0.127
93 HG21 THR 14 3HG2 THR 14 10.467 3.609 0.625
94 HG22 THR 14 1HG2 THR 14 11.212 4.199 -0.876
95 HG23 THR 14 2HG2 THR 14 11.174 2.457 -0.506
96 H ASP 15 H ASP 15 11.827 3.176 -3.503
97 HA ASP 15 HA ASP 15 11.936 0.701 -4.855
98 HB2 ASP 15 1HB ASP 15 13.349 2.679 -5.299
99 HB3 ASP 15 2HB ASP 15 14.195 2.427 -3.773
100 H GLY 16 H GLY 16 12.826 1.430 -1.504
101 HA2 GLY 16 1HA GLY 16 13.966 -1.213 -0.941
102 HA3 GLY 16 2HA GLY 16 13.660 0.089 0.208
103 H CYS 17 H CYS 17 10.830 -0.505 -1.562
104 HA CYS 17 HA CYS 17 9.629 -2.088 0.667
105 HB2 CYS 17 1HB CYS 17 9.242 0.434 0.435
106 HB3 CYS 17 2HB CYS 17 8.293 0.039 -1.011
107 H ASP 18 H ASP 18 7.761 -3.290 0.142
108 HA ASP 18 HA ASP 18 7.187 -3.988 -2.660
109 HB2 ASP 18 1HB ASP 18 9.069 -5.502 -1.898
110 HB3 ASP 18 2HB ASP 18 7.970 -6.168 -0.690
111 H TYR 19 H TYR 19 5.868 -2.795 -0.148
112 HA TYR 19 HA TYR 19 3.754 -4.524 0.698
113 HB2 TYR 19 1HB TYR 19 4.420 -2.633 2.010
114 HB3 TYR 19 2HB TYR 19 4.127 -1.524 0.683
115 HD1 TYR 19 2HD TYR 19 2.548 -3.569 3.331
116 HD2 TYR 19 1HD TYR 19 1.844 -0.791 0.103
117 HE1 TYR 19 2HE TYR 19 0.237 -3.176 4.168
118 HE2 TYR 19 1HE TYR 19 -0.458 -0.393 0.955
119 HH TYR 19 HH TYR 19 -1.726 -2.039 3.870
120 H SER 20 H SER 20 1.655 -4.750 0.086
121 HA SER 20 HA SER 20 0.582 -3.250 -2.184
122 HB2 SER 20 1HB SER 20 -0.108 -5.194 -3.450
123 HB3 SER 20 2HB SER 20 1.650 -5.202 -3.250
124 HG SER 20 HG SER 20 1.446 -6.768 -1.649
125 H THR 21 H THR 21 -1.656 -3.270 -2.401
126 HA THR 21 HA THR 21 -3.398 -4.726 -0.568
127 HB THR 21 HB THR 21 -2.677 -2.986 0.962
128 HG1 THR 21 1HG THR 21 -4.723 -3.290 1.359
129 HG21 THR 21 3HG2 THR 21 -1.965 -1.231 -0.667
130 HG22 THR 21 1HG2 THR 21 -3.049 -0.620 0.590
131 HG23 THR 21 2HG2 THR 21 -3.669 -0.919 -1.044
132 HA PRO 22 HA PRO 22 -6.088 -3.540 -4.000
133 HB2 PRO 22 1HB PRO 22 -8.499 -4.480 -3.209
134 HB3 PRO 22 2HB PRO 22 -7.135 -5.572 -3.602
135 HG2 PRO 22 1HG PRO 22 -8.012 -4.609 -0.858
136 HG3 PRO 22 2HG PRO 22 -7.681 -6.291 -1.383
137 HD2 PRO 22 1HD PRO 22 -5.824 -4.742 -0.100
138 HD3 PRO 22 2HD PRO 22 -5.354 -5.947 -1.322
139 H ASP 23 H ASP 23 -6.141 -2.068 -0.905
140 HA ASP 23 HA ASP 23 -8.434 -0.282 -1.547
141 HB2 ASP 23 1HB ASP 23 -8.281 -1.622 0.656
142 HB3 ASP 23 2HB ASP 23 -6.963 -0.570 1.052
143 H LYS 24 H LYS 24 -8.128 1.759 -2.191
144 HA LYS 24 HA LYS 24 -5.507 2.903 -2.469
145 HB2 LYS 24 1HB LYS 24 -6.599 4.786 -3.463
146 HB3 LYS 24 2HB LYS 24 -7.353 3.304 -4.043
147 HG2 LYS 24 1HG LYS 24 -9.246 3.661 -2.430
148 HG3 LYS 24 2HG LYS 24 -8.481 5.173 -1.902
149 HD2 LYS 24 1HD LYS 24 -8.629 6.062 -4.208
150 HD3 LYS 24 2HD LYS 24 -9.404 4.550 -4.739
151 HE2 LYS 24 1HE LYS 24 -11.263 4.952 -3.137
152 HE3 LYS 24 2HE LYS 24 -10.486 6.455 -2.622
153 HZ1 LYS 24 3HZ LYS 24 -11.481 5.913 -5.368
154 HZ2 LYS 24 1HZ LYS 24 -10.751 7.297 -4.892
155 HZ3 LYS 24 2HZ LYS 24 -12.201 6.885 -4.271
156 H TYR 25 H TYR 25 -7.641 3.042 0.263
157 HA TYR 25 HA TYR 25 -6.291 5.456 1.350
158 HB2 TYR 25 1HB TYR 25 -8.560 3.821 2.513
159 HB3 TYR 25 2HB TYR 25 -7.905 5.315 3.151
160 HD1 TYR 25 1HD TYR 25 -8.098 7.463 1.791
161 HD2 TYR 25 2HD TYR 25 -10.224 3.849 0.770
162 HE1 TYR 25 1HE TYR 25 -9.704 8.794 0.430
163 HE2 TYR 25 2HE TYR 25 -11.847 5.187 -0.570
164 HH TYR 25 HH TYR 25 -11.577 8.748 -0.890
165 H LYS 26 H LYS 26 -6.523 1.911 1.917
166 HA LYS 26 HA LYS 26 -4.752 1.847 4.200
167 HB2 LYS 26 1HB LYS 26 -5.083 -0.242 2.011
168 HB3 LYS 26 2HB LYS 26 -4.274 -0.489 3.545
169 HG2 LYS 26 1HG LYS 26 -6.393 0.021 4.765
170 HG3 LYS 26 2HG LYS 26 -7.235 0.160 3.232
171 HD2 LYS 26 1HD LYS 26 -6.598 -2.219 2.709
172 HD3 LYS 26 2HD LYS 26 -5.810 -2.322 4.297
173 HE2 LYS 26 1HE LYS 26 -7.980 -1.776 5.395
174 HE3 LYS 26 2HE LYS 26 -8.760 -1.692 3.810
175 HZ1 LYS 26 3HZ LYS 26 -7.489 -4.123 4.958
176 HZ2 LYS 26 1HZ LYS 26 -8.210 -4.051 3.492
177 HZ3 LYS 26 2HZ LYS 26 -9.094 -3.861 4.850
178 H LEU 27 H LEU 27 -4.031 1.895 0.695
179 HA LEU 27 HA LEU 27 -1.194 1.792 0.996
180 HB2 LEU 27 1HB LEU 27 -2.447 1.411 -1.129
181 HB3 LEU 27 2HB LEU 27 -2.856 3.128 -1.160
182 HG LEU 27 HG LEU 27 -0.474 3.725 -1.420
183 HD11 LEU 27 1HD1 LEU 27 0.022 0.711 -1.411
184 HD12 LEU 27 2HD1 LEU 27 0.649 1.893 -0.232
185 HD13 LEU 27 3HD1 LEU 27 1.202 1.946 -1.901
186 HD21 LEU 27 3HD2 LEU 27 -1.857 3.252 -3.421
187 HD22 LEU 27 1HD2 LEU 27 -1.338 1.551 -3.364
188 HD23 LEU 27 2HD2 LEU 27 -0.153 2.836 -3.681
189 H GLN 28 H GLN 28 -3.383 4.656 0.845
190 HA GLN 28 HA GLN 28 -1.336 6.644 1.100
191 HB2 GLN 28 1HB GLN 28 -4.316 6.567 1.735
192 HB3 GLN 28 2HB GLN 28 -3.336 8.011 2.040
193 HG2 GLN 28 1HG GLN 28 -2.584 8.074 -0.227
194 HG3 GLN 28 2HG GLN 28 -3.463 6.618 -0.666
195 HE21 GLN 28 1HE2 GLN 28 -5.765 6.688 -0.856
196 HE22 GLN 28 2HE2 GLN 28 -6.636 8.226 -0.947
197 H ALA 29 H ALA 29 -3.061 4.828 3.524
198 HA ALA 29 HA ALA 29 -1.817 6.064 5.835
199 HB1 ALA 29 1HB ALA 29 -2.697 4.137 7.061
200 HB2 ALA 29 2HB ALA 29 -3.922 4.784 5.953
201 HB3 ALA 29 3HB ALA 29 -3.048 3.294 5.542
202 H HIS 30 H HIS 30 -0.825 3.287 3.766
203 HA HIS 30 HA HIS 30 1.502 2.625 5.393
204 HB2 HIS 30 1HB HIS 30 0.487 0.934 4.002
205 HB3 HIS 30 2HB HIS 30 0.683 1.918 2.551
206 HD1 HIS 30 1HD HIS 30 2.834 -0.152 4.988
207 HD2 HIS 30 2HD HIS 30 3.062 2.005 1.393
208 HE1 HIS 30 1HE HIS 30 5.157 -0.594 4.068
209 H LEU 31 H LEU 31 1.086 4.747 2.493
210 HA LEU 31 HA LEU 31 3.809 5.191 1.942
211 HB2 LEU 31 1HB LEU 31 1.418 7.043 1.754
212 HB3 LEU 31 2HB LEU 31 2.994 7.488 1.125
213 HG LEU 31 HG LEU 31 1.421 5.065 0.157
214 HD11 LEU 31 1HD1 LEU 31 1.813 7.796 -1.131
215 HD12 LEU 31 2HD1 LEU 31 0.304 7.214 -0.397
216 HD13 LEU 31 3HD1 LEU 31 0.951 6.407 -1.832
217 HD21 LEU 31 3HD2 LEU 31 3.928 6.409 -0.917
218 HD22 LEU 31 1HD2 LEU 31 2.982 5.153 -1.747
219 HD23 LEU 31 2HD2 LEU 31 3.808 4.767 -0.237
220 H LYS 32 H LYS 32 1.913 6.609 4.558
221 HA LYS 32 HA LYS 32 3.798 8.619 5.388
222 HB2 LYS 32 1HB LYS 32 1.643 7.147 6.963
223 HB3 LYS 32 2HB LYS 32 2.514 8.583 7.519
224 HG2 LYS 32 1HG LYS 32 1.660 9.872 5.579
225 HG3 LYS 32 2HG LYS 32 0.764 8.450 5.026
226 HD2 LYS 32 1HD LYS 32 -0.527 8.461 7.190
227 HD3 LYS 32 2HD LYS 32 0.354 9.922 7.659
228 HE2 LYS 32 1HE LYS 32 -1.701 10.712 6.786
229 HE3 LYS 32 2HE LYS 32 -0.493 11.027 5.538
230 HZ1 LYS 32 3HZ LYS 32 -2.434 10.064 4.528
231 HZ2 LYS 32 1HZ LYS 32 -2.469 8.810 5.569
232 HZ3 LYS 32 2HZ LYS 32 -1.273 8.905 4.457
233 H VAL 33 H VAL 33 3.853 5.154 5.847
234 HA VAL 33 HA VAL 33 5.515 5.077 8.182
235 HB VAL 33 HB VAL 33 4.127 3.219 6.830
236 HG11 VAL 33 1HG1 VAL 33 5.763 3.080 4.916
237 HG12 VAL 33 2HG1 VAL 33 6.990 2.497 6.060
238 HG13 VAL 33 3HG1 VAL 33 5.515 1.558 5.778
239 HG21 VAL 33 3HG2 VAL 33 6.545 2.592 8.532
240 HG22 VAL 33 1HG2 VAL 33 4.909 3.015 9.108
241 HG23 VAL 33 2HG2 VAL 33 5.156 1.526 8.188
242 H HIS 34 H HIS 34 6.246 5.718 4.828
243 HA HIS 34 HA HIS 34 9.130 5.353 5.123
244 HB2 HIS 34 1HB HIS 34 7.426 6.405 2.838
245 HB3 HIS 34 2HB HIS 34 9.165 6.116 2.760
246 HD1 HIS 34 1HD HIS 34 9.801 3.404 3.577
247 HD2 HIS 34 2HD HIS 34 6.002 4.340 2.027
248 HE1 HIS 34 1HE HIS 34 8.794 1.194 2.864
249 H THR 35 H THR 35 7.135 7.816 6.169
250 HA THR 35 HA THR 35 9.498 9.627 6.362
251 HB THR 35 HB THR 35 7.842 10.537 4.784
252 HG1 THR 35 1HG THR 35 8.259 11.948 7.192
253 HG21 THR 35 3HG2 THR 35 5.730 9.823 5.722
254 HG22 THR 35 1HG2 THR 35 5.780 11.586 5.644
255 HG23 THR 35 2HG2 THR 35 6.007 10.765 7.204
256 H ALA 36 H ALA 36 7.938 7.478 8.093
257 HA ALA 36 HA ALA 36 7.555 8.940 10.608
258 HB1 ALA 36 1HB ALA 36 6.995 6.721 11.483
259 HB2 ALA 36 2HB ALA 36 6.120 7.024 9.974
260 HB3 ALA 36 3HB ALA 36 7.546 5.959 9.977
261 H LEU 37 H LEU 37 8.686 8.030 12.596
262 HA LEU 37 HA LEU 37 11.472 7.173 12.210
263 HB2 LEU 37 1HB LEU 37 11.519 9.660 12.162
264 HB3 LEU 37 2HB LEU 37 10.668 9.701 13.705
265 HG LEU 37 HG LEU 37 12.616 8.585 14.803
266 HD11 LEU 37 1HD1 LEU 37 14.783 8.499 13.583
267 HD12 LEU 37 2HD1 LEU 37 13.945 8.921 12.074
268 HD13 LEU 37 3HD1 LEU 37 13.609 7.380 12.892
269 HD21 LEU 37 3HD2 LEU 37 13.314 11.095 13.224
270 HD22 LEU 37 1HD2 LEU 37 14.112 10.529 14.709
271 HD23 LEU 37 2HD2 LEU 37 12.419 11.043 14.760
272 H ASP 38 H ASP 38 12.115 5.833 13.750
273 HA ASP 38 HA ASP 38 10.769 5.590 16.380
274 HB2 ASP 38 1HB ASP 38 9.551 4.068 14.883
275 HB3 ASP 38 2HB ASP 38 11.060 3.311 14.386
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -13.199 -17.364 -19.592
2 H2 GLY 1 2H GLY 1 -14.675 -16.663 -19.466
3 H3 GLY 1 3H GLY 1 -14.207 -17.796 -18.377
4 HA2 GLY 1 1HA GLY 1 -12.973 -15.140 -18.710
5 HA3 GLY 1 2HA GLY 1 -14.080 -15.594 -17.403
6 H SER 2 H SER 2 -11.404 -14.604 -17.088
7 HA SER 2 HA SER 2 -10.237 -16.753 -15.433
8 HB2 SER 2 1HB SER 2 -7.975 -16.364 -16.349
9 HB3 SER 2 2HB SER 2 -9.082 -17.053 -17.543
10 HG SER 2 HG SER 2 -7.838 -15.326 -18.409
11 H SER 3 H SER 3 -8.543 -15.974 -14.008
12 HA SER 3 HA SER 3 -7.883 -14.744 -12.254
13 HB2 SER 3 1HB SER 3 -8.222 -12.340 -14.071
14 HB3 SER 3 2HB SER 3 -7.351 -12.370 -12.532
15 HG SER 3 HG SER 3 -5.957 -12.679 -14.338
16 H GLY 4 H GLY 4 -8.400 -12.979 -10.635
17 HA2 GLY 4 1HA GLY 4 -11.063 -13.434 -9.663
18 HA3 GLY 4 2HA GLY 4 -9.860 -12.366 -8.951
19 H SER 5 H SER 5 -12.851 -12.145 -9.534
20 HA SER 5 HA SER 5 -13.145 -9.916 -11.386
21 HB2 SER 5 1HB SER 5 -15.510 -9.993 -10.645
22 HB3 SER 5 2HB SER 5 -14.891 -11.558 -11.199
23 HG SER 5 HG SER 5 -16.078 -11.731 -9.231
24 H SER 6 H SER 6 -12.065 -10.019 -8.190
25 HA SER 6 HA SER 6 -13.224 -7.552 -7.202
26 HB2 SER 6 1HB SER 6 -11.630 -7.935 -5.315
27 HB3 SER 6 2HB SER 6 -12.705 -9.299 -5.661
28 HG SER 6 HG SER 6 -10.516 -9.957 -5.353
29 H GLY 7 H GLY 7 -10.881 -7.951 -9.532
30 HA2 GLY 7 1HA GLY 7 -9.772 -6.207 -10.651
31 HA3 GLY 7 2HA GLY 7 -9.969 -5.157 -9.254
32 H ILE 8 H ILE 8 -7.730 -4.631 -9.918
33 HA ILE 8 HA ILE 8 -5.634 -6.605 -9.160
34 HB ILE 8 HB ILE 8 -5.403 -4.102 -10.860
35 HG12 ILE 8 1HG1 ILE 8 -6.799 -5.654 -12.083
36 HG13 ILE 8 2HG1 ILE 8 -5.216 -5.566 -12.816
37 HG21 ILE 8 1HG2 ILE 8 -3.429 -6.361 -10.312
38 HG22 ILE 8 2HG2 ILE 8 -3.231 -5.134 -11.581
39 HG23 ILE 8 3HG2 ILE 8 -3.260 -4.642 -9.891
40 HD11 ILE 8 3HD1 ILE 8 -6.211 -7.846 -11.045
41 HD12 ILE 8 1HD1 ILE 8 -6.055 -7.864 -12.808
42 HD13 ILE 8 2HD1 ILE 8 -4.603 -7.755 -11.802
43 H LEU 9 H LEU 9 -4.087 -6.144 -7.702
44 HA LEU 9 HA LEU 9 -4.655 -4.196 -5.631
45 HB2 LEU 9 1HB LEU 9 -2.501 -6.278 -6.079
46 HB3 LEU 9 2HB LEU 9 -2.317 -5.053 -4.834
47 HG LEU 9 HG LEU 9 -4.390 -5.738 -3.747
48 HD11 LEU 9 1HD1 LEU 9 -5.441 -7.922 -4.308
49 HD12 LEU 9 2HD1 LEU 9 -4.474 -7.986 -5.797
50 HD13 LEU 9 3HD1 LEU 9 -5.699 -6.713 -5.564
51 HD21 LEU 9 3HD2 LEU 9 -2.248 -6.691 -3.044
52 HD22 LEU 9 1HD2 LEU 9 -2.437 -8.016 -4.214
53 HD23 LEU 9 2HD2 LEU 9 -3.556 -7.862 -2.842
54 H LEU 10 H LEU 10 -3.553 -2.454 -4.963
55 HA LEU 10 HA LEU 10 -1.839 -0.949 -6.845
56 HB2 LEU 10 1HB LEU 10 -2.715 -0.255 -4.015
57 HB3 LEU 10 2HB LEU 10 -2.033 0.834 -5.221
58 HG LEU 10 HG LEU 10 -4.790 -0.471 -5.380
59 HD11 LEU 10 1HD1 LEU 10 -3.965 2.392 -4.754
60 HD12 LEU 10 2HD1 LEU 10 -4.599 1.204 -3.592
61 HD13 LEU 10 3HD1 LEU 10 -5.629 1.781 -4.912
62 HD21 LEU 10 3HD2 LEU 10 -3.884 -0.007 -7.628
63 HD22 LEU 10 1HD2 LEU 10 -3.481 1.656 -7.137
64 HD23 LEU 10 2HD2 LEU 10 -5.177 1.130 -7.229
65 H LYS 11 H LYS 11 0.327 -0.291 -6.202
66 HA LYS 11 HA LYS 11 1.577 -1.881 -3.998
67 HB2 LYS 11 1HB LYS 11 2.733 -1.409 -6.775
68 HB3 LYS 11 2HB LYS 11 3.624 -2.024 -5.387
69 HG2 LYS 11 1HG LYS 11 1.762 -3.862 -5.261
70 HG3 LYS 11 2HG LYS 11 1.347 -3.344 -6.893
71 HD2 LYS 11 1HD LYS 11 2.808 -5.231 -7.081
72 HD3 LYS 11 2HD LYS 11 3.743 -3.809 -7.574
73 HE2 LYS 11 1HE LYS 11 4.790 -3.726 -5.308
74 HE3 LYS 11 2HE LYS 11 3.816 -5.109 -4.801
75 HZ1 LYS 11 3HZ LYS 11 4.967 -6.450 -6.472
76 HZ2 LYS 11 1HZ LYS 11 6.055 -5.770 -5.457
77 HZ3 LYS 11 2HZ LYS 11 5.855 -5.164 -6.963
78 H CYS 12 H CYS 12 3.283 -1.070 -2.944
79 HA CYS 12 HA CYS 12 3.436 1.760 -2.522
80 HB2 CYS 12 1HB CYS 12 3.723 -0.042 -0.856
81 HB3 CYS 12 2HB CYS 12 5.246 -0.510 -1.640
82 HA PRO 13 HA PRO 13 6.487 2.448 -5.787
83 HB2 PRO 13 1HB PRO 13 6.773 5.130 -5.640
84 HB3 PRO 13 2HB PRO 13 5.202 4.384 -6.063
85 HG2 PRO 13 1HG PRO 13 6.117 5.360 -3.331
86 HG3 PRO 13 2HG PRO 13 4.592 5.756 -4.188
87 HD2 PRO 13 1HD PRO 13 4.784 3.741 -2.324
88 HD3 PRO 13 2HD PRO 13 3.676 3.648 -3.729
89 H THR 14 H THR 14 7.281 2.653 -2.469
90 HA THR 14 HA THR 14 9.863 3.974 -2.666
91 HB THR 14 HB THR 14 8.682 2.253 -0.459
92 HG1 THR 14 1HG THR 14 7.545 4.138 -0.806
93 HG21 THR 14 3HG2 THR 14 10.316 3.460 1.004
94 HG22 THR 14 1HG2 THR 14 11.120 4.085 -0.452
95 HG23 THR 14 2HG2 THR 14 11.090 2.335 -0.115
96 H ASP 15 H ASP 15 11.882 3.155 -3.031
97 HA ASP 15 HA ASP 15 12.012 0.699 -4.459
98 HB2 ASP 15 1HB ASP 15 14.287 1.251 -4.886
99 HB3 ASP 15 2HB ASP 15 13.335 2.726 -4.963
100 H GLY 16 H GLY 16 12.712 1.332 -1.092
101 HA2 GLY 16 1HA GLY 16 14.015 -1.275 -0.611
102 HA3 GLY 16 2HA GLY 16 13.637 -0.032 0.581
103 H CYS 17 H CYS 17 10.931 -0.717 -1.384
104 HA CYS 17 HA CYS 17 9.643 -2.414 0.713
105 HB2 CYS 17 1HB CYS 17 9.370 0.097 0.859
106 HB3 CYS 17 2HB CYS 17 8.485 0.007 -0.674
107 H ASP 18 H ASP 18 7.739 -3.476 0.045
108 HA ASP 18 HA ASP 18 7.229 -3.919 -2.829
109 HB2 ASP 18 1HB ASP 18 9.091 -5.487 -2.139
110 HB3 ASP 18 2HB ASP 18 7.965 -6.246 -1.013
111 H TYR 19 H TYR 19 5.837 -2.962 -0.247
112 HA TYR 19 HA TYR 19 3.721 -4.752 0.422
113 HB2 TYR 19 1HB TYR 19 4.360 -2.979 1.882
114 HB3 TYR 19 2HB TYR 19 4.127 -1.767 0.644
115 HD1 TYR 19 2HD TYR 19 2.460 -3.976 3.092
116 HD2 TYR 19 1HD TYR 19 1.833 -0.916 0.104
117 HE1 TYR 19 2HE TYR 19 0.162 -3.584 3.963
118 HE2 TYR 19 1HE TYR 19 -0.434 -0.507 1.010
119 HH TYR 19 HH TYR 19 -1.761 -2.355 3.775
120 H SER 20 H SER 20 1.625 -4.936 -0.218
121 HA SER 20 HA SER 20 0.568 -3.279 -2.404
122 HB2 SER 20 1HB SER 20 -0.234 -5.205 -3.682
123 HB3 SER 20 2HB SER 20 1.540 -5.205 -3.558
124 HG SER 20 HG SER 20 0.703 -7.284 -3.161
125 H THR 21 H THR 21 -1.670 -3.209 -2.594
126 HA THR 21 HA THR 21 -3.424 -4.655 -0.751
127 HB THR 21 HB THR 21 -2.617 -3.007 0.788
128 HG1 THR 21 1HG THR 21 -4.509 -2.261 1.415
129 HG21 THR 21 3HG2 THR 21 -1.841 -1.231 -0.784
130 HG22 THR 21 1HG2 THR 21 -2.898 -0.605 0.490
131 HG23 THR 21 2HG2 THR 21 -3.532 -0.838 -1.151
132 HA PRO 22 HA PRO 22 -6.214 -3.425 -4.071
133 HB2 PRO 22 1HB PRO 22 -8.624 -4.243 -3.126
134 HB3 PRO 22 2HB PRO 22 -7.337 -5.397 -3.589
135 HG2 PRO 22 1HG PRO 22 -7.987 -4.358 -0.807
136 HG3 PRO 22 2HG PRO 22 -7.784 -6.064 -1.328
137 HD2 PRO 22 1HD PRO 22 -5.757 -4.648 -0.191
138 HD3 PRO 22 2HD PRO 22 -5.440 -5.829 -1.487
139 H ASP 23 H ASP 23 -6.104 -1.861 -1.017
140 HA ASP 23 HA ASP 23 -8.301 0.047 -1.722
141 HB2 ASP 23 1HB ASP 23 -8.422 -1.414 0.423
142 HB3 ASP 23 2HB ASP 23 -7.091 -0.461 0.976
143 H LYS 24 H LYS 24 -7.849 2.149 -2.109
144 HA LYS 24 HA LYS 24 -5.136 3.115 -2.125
145 HB2 LYS 24 1HB LYS 24 -6.022 5.181 -2.937
146 HB3 LYS 24 2HB LYS 24 -6.834 3.841 -3.743
147 HG2 LYS 24 1HG LYS 24 -8.816 4.155 -2.249
148 HG3 LYS 24 2HG LYS 24 -7.990 5.511 -1.453
149 HD2 LYS 24 1HD LYS 24 -7.869 6.721 -3.604
150 HD3 LYS 24 2HD LYS 24 -8.711 5.375 -4.411
151 HE2 LYS 24 1HE LYS 24 -10.653 5.707 -2.878
152 HE3 LYS 24 2HE LYS 24 -9.806 7.061 -2.120
153 HZ1 LYS 24 3HZ LYS 24 -10.639 6.958 -4.971
154 HZ2 LYS 24 1HZ LYS 24 -9.842 8.204 -4.274
155 HZ3 LYS 24 2HZ LYS 24 -11.359 7.840 -3.802
156 H TYR 25 H TYR 25 -7.618 3.357 0.377
157 HA TYR 25 HA TYR 25 -6.196 5.496 1.806
158 HB2 TYR 25 1HB TYR 25 -8.457 3.760 2.826
159 HB3 TYR 25 2HB TYR 25 -7.901 5.292 3.464
160 HD1 TYR 25 2HD TYR 25 -7.990 7.353 1.748
161 HD2 TYR 25 1HD TYR 25 -10.323 3.740 1.394
162 HE1 TYR 25 2HE TYR 25 -9.692 8.578 0.399
163 HE2 TYR 25 1HE TYR 25 -12.024 4.966 0.056
164 HH TYR 25 HH TYR 25 -12.663 6.986 -0.823
165 H LYS 26 H LYS 26 -6.527 1.924 2.000
166 HA LYS 26 HA LYS 26 -4.785 1.586 4.296
167 HB2 LYS 26 1HB LYS 26 -5.195 -0.286 1.938
168 HB3 LYS 26 2HB LYS 26 -4.417 -0.702 3.452
169 HG2 LYS 26 1HG LYS 26 -6.534 -0.204 4.688
170 HG3 LYS 26 2HG LYS 26 -7.346 0.088 3.161
171 HD2 LYS 26 1HD LYS 26 -6.785 -2.268 2.458
172 HD3 LYS 26 2HD LYS 26 -6.027 -2.522 4.043
173 HE2 LYS 26 1HE LYS 26 -8.193 -1.987 5.152
174 HE3 LYS 26 2HE LYS 26 -8.945 -1.755 3.569
175 HZ1 LYS 26 3HZ LYS 26 -8.465 -4.099 3.076
176 HZ2 LYS 26 1HZ LYS 26 -9.365 -3.986 4.432
177 HZ3 LYS 26 2HZ LYS 26 -7.771 -4.309 4.542
178 H LEU 27 H LEU 27 -4.063 1.868 0.787
179 HA LEU 27 HA LEU 27 -1.233 1.642 1.088
180 HB2 LEU 27 1HB LEU 27 -2.424 1.443 -1.063
181 HB3 LEU 27 2HB LEU 27 -2.819 3.157 -1.011
182 HG LEU 27 HG LEU 27 -0.434 3.753 -1.160
183 HD11 LEU 27 1HD1 LEU 27 0.062 0.744 -1.323
184 HD12 LEU 27 2HD1 LEU 27 0.657 1.852 -0.058
185 HD13 LEU 27 3HD1 LEU 27 1.256 2.004 -1.706
186 HD21 LEU 27 3HD2 LEU 27 -1.238 1.710 -3.255
187 HD22 LEU 27 1HD2 LEU 27 -0.048 3.012 -3.459
188 HD23 LEU 27 2HD2 LEU 27 -1.760 3.410 -3.223
189 H GLN 28 H GLN 28 -3.289 4.645 1.081
190 HA GLN 28 HA GLN 28 -1.209 6.513 1.561
191 HB2 GLN 28 1HB GLN 28 -4.126 6.409 2.420
192 HB3 GLN 28 2HB GLN 28 -3.081 7.779 2.821
193 HG2 GLN 28 1HG GLN 28 -2.581 8.186 0.521
194 HG3 GLN 28 2HG GLN 28 -3.479 6.785 -0.031
195 HE21 GLN 28 1HE2 GLN 28 -4.307 8.909 -1.323
196 HE22 GLN 28 2HE2 GLN 28 -5.784 9.574 -0.639
197 H ALA 29 H ALA 29 -3.068 4.664 3.942
198 HA ALA 29 HA ALA 29 -1.647 5.508 6.266
199 HB1 ALA 29 1HB ALA 29 -2.731 3.584 7.345
200 HB2 ALA 29 2HB ALA 29 -3.871 4.443 6.292
201 HB3 ALA 29 3HB ALA 29 -3.150 2.907 5.760
202 H HIS 30 H HIS 30 -0.557 3.336 3.776
203 HA HIS 30 HA HIS 30 1.748 2.380 5.434
204 HB2 HIS 30 1HB HIS 30 0.534 0.703 4.163
205 HB3 HIS 30 2HB HIS 30 0.713 1.631 2.674
206 HD1 HIS 30 1HD HIS 30 2.895 -0.373 5.148
207 HD2 HIS 30 2HD HIS 30 3.015 1.556 1.416
208 HE1 HIS 30 1HE HIS 30 5.179 -0.896 4.179
209 H LEU 31 H LEU 31 1.049 4.607 2.692
210 HA LEU 31 HA LEU 31 3.797 5.119 2.036
211 HB2 LEU 31 1HB LEU 31 1.308 6.825 1.788
212 HB3 LEU 31 2HB LEU 31 2.860 7.295 1.115
213 HG LEU 31 HG LEU 31 1.367 4.767 0.297
214 HD11 LEU 31 1HD1 LEU 31 0.809 5.995 -1.755
215 HD12 LEU 31 2HD1 LEU 31 1.588 7.457 -1.109
216 HD13 LEU 31 3HD1 LEU 31 0.124 6.807 -0.341
217 HD21 LEU 31 3HD2 LEU 31 3.774 6.167 -0.918
218 HD22 LEU 31 1HD2 LEU 31 2.875 4.809 -1.634
219 HD23 LEU 31 2HD2 LEU 31 3.760 4.569 -0.127
220 H LYS 32 H LYS 32 1.696 6.578 4.527
221 HA LYS 32 HA LYS 32 3.469 8.634 5.341
222 HB2 LYS 32 1HB LYS 32 2.201 8.799 7.356
223 HB3 LYS 32 2HB LYS 32 1.109 8.506 6.003
224 HG2 LYS 32 1HG LYS 32 0.939 6.120 6.658
225 HG3 LYS 32 2HG LYS 32 2.041 6.405 8.020
226 HD2 LYS 32 1HD LYS 32 0.422 8.091 8.927
227 HD3 LYS 32 2HD LYS 32 -0.706 7.667 7.621
228 HE2 LYS 32 1HE LYS 32 -0.726 5.308 8.423
229 HE3 LYS 32 2HE LYS 32 0.421 5.727 9.699
230 HZ1 LYS 32 3HZ LYS 32 -1.253 7.233 10.630
231 HZ2 LYS 32 1HZ LYS 32 -1.861 5.725 10.531
232 HZ3 LYS 32 2HZ LYS 32 -2.321 6.858 9.450
233 H VAL 33 H VAL 33 3.737 5.230 5.945
234 HA VAL 33 HA VAL 33 5.500 5.169 8.188
235 HB VAL 33 HB VAL 33 5.316 3.268 5.820
236 HG11 VAL 33 1HG1 VAL 33 7.203 2.705 7.214
237 HG12 VAL 33 2HG1 VAL 33 6.154 2.706 8.661
238 HG13 VAL 33 3HG1 VAL 33 5.902 1.512 7.356
239 HG21 VAL 33 3HG2 VAL 33 3.043 3.619 6.879
240 HG22 VAL 33 1HG2 VAL 33 3.668 1.988 7.098
241 HG23 VAL 33 2HG2 VAL 33 3.743 3.158 8.439
242 H HIS 34 H HIS 34 6.047 5.770 4.735
243 HA HIS 34 HA HIS 34 8.976 5.539 4.982
244 HB2 HIS 34 1HB HIS 34 7.165 6.147 2.616
245 HB3 HIS 34 2HB HIS 34 8.904 5.857 2.535
246 HD1 HIS 34 1HD HIS 34 9.468 3.278 3.944
247 HD2 HIS 34 2HD HIS 34 5.848 4.012 1.925
248 HE1 HIS 34 1HE HIS 34 8.485 0.992 3.438
249 H THR 35 H THR 35 6.586 8.144 4.742
250 HA THR 35 HA THR 35 8.652 10.168 4.196
251 HB THR 35 HB THR 35 6.287 10.147 3.269
252 HG1 THR 35 1HG THR 35 6.277 12.381 3.233
253 HG21 THR 35 3HG2 THR 35 5.600 11.612 5.847
254 HG22 THR 35 1HG2 THR 35 5.174 9.919 5.556
255 HG23 THR 35 2HG2 THR 35 4.528 11.183 4.494
256 H ALA 36 H ALA 36 7.308 8.776 7.059
257 HA ALA 36 HA ALA 36 7.681 10.918 8.897
258 HB1 ALA 36 1HB ALA 36 7.774 7.900 9.314
259 HB2 ALA 36 2HB ALA 36 7.591 9.119 10.593
260 HB3 ALA 36 3HB ALA 36 6.323 8.928 9.369
261 H LEU 37 H LEU 37 9.286 11.247 10.476
262 HA LEU 37 HA LEU 37 12.050 10.448 9.709
263 HB2 LEU 37 1HB LEU 37 11.226 12.772 9.021
264 HB3 LEU 37 2HB LEU 37 11.192 13.173 10.732
265 HG LEU 37 HG LEU 37 13.679 12.758 10.838
266 HD11 LEU 37 1HD1 LEU 37 13.402 12.373 7.825
267 HD12 LEU 37 2HD1 LEU 37 13.983 11.164 8.995
268 HD13 LEU 37 3HD1 LEU 37 14.934 12.618 8.695
269 HD21 LEU 37 3HD2 LEU 37 12.769 15.011 10.418
270 HD22 LEU 37 1HD2 LEU 37 12.792 14.698 8.668
271 HD23 LEU 37 2HD2 LEU 37 14.313 14.763 9.589
272 H ASP 38 H ASP 38 10.599 9.003 11.561
273 HA ASP 38 HA ASP 38 12.180 9.339 14.051
274 HB2 ASP 38 1HB ASP 38 10.035 10.470 14.466
275 HB3 ASP 38 2HB ASP 38 9.156 9.029 13.966
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -4.567 -17.113 -12.453
2 H2 GLY 1 2H GLY 1 -3.593 -16.565 -13.650
3 H3 GLY 1 3H GLY 1 -3.268 -17.996 -12.921
4 HA2 GLY 1 1HA GLY 1 -4.228 -18.377 -15.096
5 HA3 GLY 1 2HA GLY 1 -5.265 -18.993 -13.796
6 H SER 2 H SER 2 -5.982 -18.114 -16.545
7 HA SER 2 HA SER 2 -7.127 -15.510 -16.557
8 HB2 SER 2 1HB SER 2 -8.244 -16.296 -18.637
9 HB3 SER 2 2HB SER 2 -6.502 -16.612 -18.592
10 HG SER 2 HG SER 2 -7.712 -18.436 -19.321
11 H SER 3 H SER 3 -8.455 -18.446 -15.224
12 HA SER 3 HA SER 3 -11.225 -17.620 -15.172
13 HB2 SER 3 1HB SER 3 -9.762 -19.590 -13.375
14 HB3 SER 3 2HB SER 3 -11.517 -19.458 -13.593
15 HG SER 3 HG SER 3 -10.610 -21.122 -14.889
16 H GLY 4 H GLY 4 -8.551 -16.423 -13.394
17 HA2 GLY 4 1HA GLY 4 -9.849 -15.850 -10.861
18 HA3 GLY 4 2HA GLY 4 -8.320 -15.205 -11.446
19 H SER 5 H SER 5 -9.805 -13.546 -10.023
20 HA SER 5 HA SER 5 -11.735 -11.945 -11.364
21 HB2 SER 5 1HB SER 5 -9.853 -11.171 -9.104
22 HB3 SER 5 2HB SER 5 -11.340 -10.325 -9.568
23 HG SER 5 HG SER 5 -11.676 -11.779 -7.814
24 H SER 6 H SER 6 -11.639 -9.882 -12.304
25 HA SER 6 HA SER 6 -9.277 -9.318 -13.908
26 HB2 SER 6 1HB SER 6 -10.703 -7.498 -14.823
27 HB3 SER 6 2HB SER 6 -11.459 -9.099 -14.886
28 HG SER 6 HG SER 6 -12.902 -7.478 -14.105
29 H GLY 7 H GLY 7 -10.537 -8.028 -10.897
30 HA2 GLY 7 1HA GLY 7 -9.064 -5.534 -10.888
31 HA3 GLY 7 2HA GLY 7 -9.808 -6.319 -9.498
32 H ILE 8 H ILE 8 -7.227 -4.975 -9.703
33 HA ILE 8 HA ILE 8 -5.406 -7.131 -8.751
34 HB ILE 8 HB ILE 8 -3.504 -6.047 -9.831
35 HG12 ILE 8 1HG1 ILE 8 -5.527 -4.382 -11.400
36 HG13 ILE 8 2HG1 ILE 8 -4.494 -3.762 -10.108
37 HG21 ILE 8 1HG2 ILE 8 -4.708 -8.008 -10.824
38 HG22 ILE 8 2HG2 ILE 8 -5.599 -6.886 -11.873
39 HG23 ILE 8 3HG2 ILE 8 -3.836 -7.034 -12.007
40 HD11 ILE 8 3HD1 ILE 8 -3.554 -4.884 -12.770
41 HD12 ILE 8 1HD1 ILE 8 -3.483 -3.205 -12.212
42 HD13 ILE 8 2HD1 ILE 8 -2.479 -4.438 -11.420
43 H LEU 9 H LEU 9 -3.717 -6.451 -7.335
44 HA LEU 9 HA LEU 9 -4.587 -4.450 -5.412
45 HB2 LEU 9 1HB LEU 9 -2.250 -6.375 -5.596
46 HB3 LEU 9 2HB LEU 9 -2.268 -5.078 -4.411
47 HG LEU 9 HG LEU 9 -4.321 -5.886 -3.419
48 HD11 LEU 9 1HD1 LEU 9 -5.450 -7.035 -5.250
49 HD12 LEU 9 2HD1 LEU 9 -5.174 -8.168 -3.929
50 HD13 LEU 9 3HD1 LEU 9 -4.123 -8.221 -5.362
51 HD21 LEU 9 3HD2 LEU 9 -2.151 -6.644 -2.563
52 HD22 LEU 9 1HD2 LEU 9 -2.190 -8.035 -3.668
53 HD23 LEU 9 2HD2 LEU 9 -3.388 -7.892 -2.360
54 H LEU 10 H LEU 10 -3.722 -2.560 -4.869
55 HA LEU 10 HA LEU 10 -2.030 -1.041 -6.736
56 HB2 LEU 10 1HB LEU 10 -3.039 -0.269 -3.972
57 HB3 LEU 10 2HB LEU 10 -2.430 0.804 -5.232
58 HG LEU 10 HG LEU 10 -5.051 -0.754 -5.329
59 HD11 LEU 10 1HD1 LEU 10 -5.022 1.097 -3.715
60 HD12 LEU 10 2HD1 LEU 10 -6.089 1.449 -5.085
61 HD13 LEU 10 3HD1 LEU 10 -4.487 2.219 -4.988
62 HD21 LEU 10 3HD2 LEU 10 -3.890 1.291 -7.278
63 HD22 LEU 10 1HD2 LEU 10 -5.541 0.631 -7.330
64 HD23 LEU 10 2HD2 LEU 10 -4.160 -0.438 -7.607
65 H LYS 11 H LYS 11 0.054 -0.177 -6.074
66 HA LYS 11 HA LYS 11 1.491 -1.861 -4.050
67 HB2 LYS 11 1HB LYS 11 2.377 -1.263 -6.898
68 HB3 LYS 11 2HB LYS 11 3.259 -2.209 -5.694
69 HG2 LYS 11 1HG LYS 11 1.403 -3.875 -5.650
70 HG3 LYS 11 2HG LYS 11 0.540 -2.927 -6.870
71 HD2 LYS 11 1HD LYS 11 2.421 -3.274 -8.468
72 HD3 LYS 11 2HD LYS 11 3.230 -4.275 -7.253
73 HE2 LYS 11 1HE LYS 11 2.099 -5.744 -8.786
74 HE3 LYS 11 2HE LYS 11 1.271 -5.823 -7.230
75 HZ1 LYS 11 3HZ LYS 11 0.350 -4.210 -9.555
76 HZ2 LYS 11 1HZ LYS 11 -0.460 -4.354 -8.136
77 HZ3 LYS 11 2HZ LYS 11 -0.277 -5.648 -9.115
78 H CYS 12 H CYS 12 3.249 -1.032 -3.049
79 HA CYS 12 HA CYS 12 3.426 1.819 -2.767
80 HB2 CYS 12 1HB CYS 12 3.742 0.140 -0.990
81 HB3 CYS 12 2HB CYS 12 5.243 -0.388 -1.773
82 HA PRO 13 HA PRO 13 6.472 2.298 -6.101
83 HB2 PRO 13 1HB PRO 13 6.657 4.992 -6.176
84 HB3 PRO 13 2HB PRO 13 5.122 4.163 -6.576
85 HG2 PRO 13 1HG PRO 13 5.928 5.396 -3.914
86 HG3 PRO 13 2HG PRO 13 4.415 5.664 -4.841
87 HD2 PRO 13 1HD PRO 13 4.636 3.816 -2.804
88 HD3 PRO 13 2HD PRO 13 3.549 3.581 -4.209
89 H THR 14 H THR 14 7.099 2.753 -2.792
90 HA THR 14 HA THR 14 9.495 4.333 -2.922
91 HB THR 14 HB THR 14 8.649 2.537 -0.627
92 HG1 THR 14 1HG THR 14 6.930 3.796 -0.953
93 HG21 THR 14 3HG2 THR 14 10.873 3.499 -0.293
94 HG22 THR 14 1HG2 THR 14 9.716 4.350 0.731
95 HG23 THR 14 2HG2 THR 14 10.282 5.112 -0.767
96 H ASP 15 H ASP 15 11.659 3.806 -2.884
97 HA ASP 15 HA ASP 15 12.503 1.333 -4.011
98 HB2 ASP 15 1HB ASP 15 13.724 3.442 -4.269
99 HB3 ASP 15 2HB ASP 15 14.084 3.472 -2.541
100 H GLY 16 H GLY 16 13.201 -0.554 -3.187
101 HA2 GLY 16 1HA GLY 16 13.806 -2.203 -1.694
102 HA3 GLY 16 2HA GLY 16 14.000 -0.988 -0.431
103 H CYS 17 H CYS 17 10.902 -0.481 -1.478
104 HA CYS 17 HA CYS 17 9.677 -2.102 0.659
105 HB2 CYS 17 1HB CYS 17 9.310 0.379 0.238
106 HB3 CYS 17 2HB CYS 17 8.341 -0.105 -1.166
107 H ASP 18 H ASP 18 7.779 -3.305 0.276
108 HA ASP 18 HA ASP 18 7.462 -4.600 -2.393
109 HB2 ASP 18 1HB ASP 18 9.176 -5.817 -0.983
110 HB3 ASP 18 2HB ASP 18 7.903 -6.141 0.191
111 H TYR 19 H TYR 19 5.885 -2.903 -0.219
112 HA TYR 19 HA TYR 19 3.683 -4.558 0.602
113 HB2 TYR 19 1HB TYR 19 4.431 -2.679 1.905
114 HB3 TYR 19 2HB TYR 19 4.161 -1.571 0.576
115 HD1 TYR 19 2HD TYR 19 2.562 -3.589 3.232
116 HD2 TYR 19 1HD TYR 19 1.876 -0.813 -0.002
117 HE1 TYR 19 2HE TYR 19 0.258 -3.170 4.078
118 HE2 TYR 19 1HE TYR 19 -0.416 -0.384 0.862
119 HH TYR 19 HH TYR 19 -1.690 -2.008 3.788
120 H SER 20 H SER 20 1.635 -4.765 -0.109
121 HA SER 20 HA SER 20 0.572 -3.101 -2.254
122 HB2 SER 20 1HB SER 20 -0.217 -5.006 -3.611
123 HB3 SER 20 2HB SER 20 1.549 -4.879 -3.581
124 HG SER 20 HG SER 20 1.623 -6.572 -2.096
125 H THR 21 H THR 21 -1.712 -3.177 -2.486
126 HA THR 21 HA THR 21 -3.360 -4.646 -0.553
127 HB THR 21 HB THR 21 -2.562 -2.914 0.896
128 HG1 THR 21 1HG THR 21 -4.461 -2.275 1.579
129 HG21 THR 21 3HG2 THR 21 -2.918 -0.535 0.509
130 HG22 THR 21 1HG2 THR 21 -3.609 -0.853 -1.093
131 HG23 THR 21 2HG2 THR 21 -1.896 -1.182 -0.780
132 HA PRO 22 HA PRO 22 -6.288 -3.647 -3.821
133 HB2 PRO 22 1HB PRO 22 -8.646 -4.491 -2.768
134 HB3 PRO 22 2HB PRO 22 -7.334 -5.623 -3.221
135 HG2 PRO 22 1HG PRO 22 -7.935 -4.488 -0.467
136 HG3 PRO 22 2HG PRO 22 -7.694 -6.206 -0.921
137 HD2 PRO 22 1HD PRO 22 -5.678 -4.688 0.091
138 HD3 PRO 22 2HD PRO 22 -5.365 -5.908 -1.170
139 H ASP 23 H ASP 23 -6.180 -1.942 -0.822
140 HA ASP 23 HA ASP 23 -8.399 -0.102 -1.634
141 HB2 ASP 23 1HB ASP 23 -8.409 -1.418 0.634
142 HB3 ASP 23 2HB ASP 23 -7.186 -0.292 1.100
143 H LYS 24 H LYS 24 -7.979 1.918 -2.207
144 HA LYS 24 HA LYS 24 -5.416 3.131 -2.509
145 HB2 LYS 24 1HB LYS 24 -7.442 3.777 -3.749
146 HB3 LYS 24 2HB LYS 24 -8.223 4.310 -2.254
147 HG2 LYS 24 1HG LYS 24 -6.544 6.114 -1.997
148 HG3 LYS 24 2HG LYS 24 -5.722 5.557 -3.470
149 HD2 LYS 24 1HD LYS 24 -7.774 6.037 -4.784
150 HD3 LYS 24 2HD LYS 24 -8.612 6.541 -3.299
151 HE2 LYS 24 1HE LYS 24 -6.927 8.340 -2.968
152 HE3 LYS 24 2HE LYS 24 -6.112 7.851 -4.462
153 HZ1 LYS 24 3HZ LYS 24 -8.161 8.402 -5.674
154 HZ2 LYS 24 1HZ LYS 24 -7.633 9.707 -4.851
155 HZ3 LYS 24 2HZ LYS 24 -8.908 8.857 -4.293
156 H TYR 25 H TYR 25 -7.747 3.373 0.195
157 HA TYR 25 HA TYR 25 -6.202 5.484 1.483
158 HB2 TYR 25 1HB TYR 25 -8.549 3.857 2.503
159 HB3 TYR 25 2HB TYR 25 -7.892 5.312 3.249
160 HD1 TYR 25 2HD TYR 25 -7.786 7.476 1.796
161 HD2 TYR 25 1HD TYR 25 -10.224 4.055 0.803
162 HE1 TYR 25 2HE TYR 25 -9.129 8.880 0.237
163 HE2 TYR 25 1HE TYR 25 -11.565 5.462 -0.749
164 HH TYR 25 HH TYR 25 -11.864 7.545 -1.661
165 H LYS 26 H LYS 26 -6.322 1.953 1.817
166 HA LYS 26 HA LYS 26 -4.658 1.695 4.162
167 HB2 LYS 26 1HB LYS 26 -5.179 -0.079 1.794
168 HB3 LYS 26 2HB LYS 26 -4.119 -0.524 3.106
169 HG2 LYS 26 1HG LYS 26 -6.489 -1.368 3.179
170 HG3 LYS 26 2HG LYS 26 -5.786 -0.770 4.648
171 HD2 LYS 26 1HD LYS 26 -7.142 1.220 4.632
172 HD3 LYS 26 2HD LYS 26 -7.720 0.865 3.002
173 HE2 LYS 26 1HE LYS 26 -8.566 -1.387 4.007
174 HE3 LYS 26 2HE LYS 26 -8.352 -0.601 5.578
175 HZ1 LYS 26 3HZ LYS 26 -9.874 1.169 4.751
176 HZ2 LYS 26 1HZ LYS 26 -10.607 -0.292 4.739
177 HZ3 LYS 26 2HZ LYS 26 -10.067 0.349 3.334
178 H LEU 27 H LEU 27 -3.947 1.954 0.641
179 HA LEU 27 HA LEU 27 -1.110 1.798 0.937
180 HB2 LEU 27 1HB LEU 27 -2.370 1.433 -1.201
181 HB3 LEU 27 2HB LEU 27 -2.713 3.158 -1.247
182 HG LEU 27 HG LEU 27 -0.326 3.686 -1.475
183 HD11 LEU 27 1HD1 LEU 27 1.323 1.873 -1.906
184 HD12 LEU 27 2HD1 LEU 27 0.113 0.665 -1.424
185 HD13 LEU 27 3HD1 LEU 27 0.743 1.849 -0.247
186 HD21 LEU 27 3HD2 LEU 27 -1.164 1.497 -3.408
187 HD22 LEU 27 1HD2 LEU 27 0.018 2.784 -3.714
188 HD23 LEU 27 2HD2 LEU 27 -1.692 3.195 -3.497
189 H GLN 28 H GLN 28 -3.276 4.692 0.802
190 HA GLN 28 HA GLN 28 -1.243 6.663 1.133
191 HB2 GLN 28 1HB GLN 28 -4.152 6.562 2.051
192 HB3 GLN 28 2HB GLN 28 -3.113 7.981 2.271
193 HG2 GLN 28 1HG GLN 28 -2.651 8.033 -0.133
194 HG3 GLN 28 2HG GLN 28 -3.752 6.697 -0.421
195 HE21 GLN 28 1HE2 GLN 28 -4.236 9.019 -1.809
196 HE22 GLN 28 2HE2 GLN 28 -5.630 9.841 -1.118
197 H ALA 29 H ALA 29 -3.053 4.886 3.632
198 HA ALA 29 HA ALA 29 -1.653 5.933 5.889
199 HB1 ALA 29 1HB ALA 29 -3.004 3.222 5.546
200 HB2 ALA 29 2HB ALA 29 -2.591 4.003 7.085
201 HB3 ALA 29 3HB ALA 29 -3.805 4.738 6.019
202 H HIS 30 H HIS 30 -0.731 3.254 3.688
203 HA HIS 30 HA HIS 30 1.591 2.479 5.282
204 HB2 HIS 30 1HB HIS 30 0.563 0.850 3.834
205 HB3 HIS 30 2HB HIS 30 0.757 1.890 2.420
206 HD1 HIS 30 1HD HIS 30 2.954 -0.169 4.843
207 HD2 HIS 30 2HD HIS 30 3.103 1.952 1.219
208 HE1 HIS 30 1HE HIS 30 5.282 -0.559 3.915
209 H LEU 31 H LEU 31 1.167 4.710 2.455
210 HA LEU 31 HA LEU 31 3.927 5.188 2.003
211 HB2 LEU 31 1HB LEU 31 1.501 6.977 1.683
212 HB3 LEU 31 2HB LEU 31 3.099 7.447 1.129
213 HG LEU 31 HG LEU 31 1.652 4.957 0.127
214 HD11 LEU 31 1HD1 LEU 31 0.445 7.025 -0.496
215 HD12 LEU 31 2HD1 LEU 31 1.199 6.257 -1.900
216 HD13 LEU 31 3HD1 LEU 31 1.948 7.696 -1.168
217 HD21 LEU 31 3HD2 LEU 31 3.276 5.111 -1.724
218 HD22 LEU 31 1HD2 LEU 31 4.054 4.755 -0.183
219 HD23 LEU 31 2HD2 LEU 31 4.139 6.401 -0.861
220 H LYS 32 H LYS 32 1.820 6.578 4.482
221 HA LYS 32 HA LYS 32 3.632 8.524 5.547
222 HB2 LYS 32 1HB LYS 32 1.405 6.923 6.868
223 HB3 LYS 32 2HB LYS 32 2.268 8.256 7.644
224 HG2 LYS 32 1HG LYS 32 1.536 9.815 5.885
225 HG3 LYS 32 2HG LYS 32 0.671 8.509 5.058
226 HD2 LYS 32 1HD LYS 32 -0.769 8.191 7.060
227 HD3 LYS 32 2HD LYS 32 0.091 9.515 7.877
228 HE2 LYS 32 1HE LYS 32 -0.596 11.064 6.045
229 HE3 LYS 32 2HE LYS 32 -1.476 9.745 5.265
230 HZ1 LYS 32 3HZ LYS 32 -2.079 10.836 7.966
231 HZ2 LYS 32 1HZ LYS 32 -2.896 9.615 7.251
232 HZ3 LYS 32 2HZ LYS 32 -2.955 11.118 6.620
233 H VAL 33 H VAL 33 3.784 5.028 5.818
234 HA VAL 33 HA VAL 33 5.362 4.933 8.226
235 HB VAL 33 HB VAL 33 4.091 3.047 6.799
236 HG11 VAL 33 1HG1 VAL 33 5.570 1.472 5.740
237 HG12 VAL 33 2HG1 VAL 33 5.794 3.022 4.920
238 HG13 VAL 33 3HG1 VAL 33 7.000 2.455 6.091
239 HG21 VAL 33 3HG2 VAL 33 5.196 1.366 8.137
240 HG22 VAL 33 1HG2 VAL 33 6.510 2.503 8.534
241 HG23 VAL 33 2HG2 VAL 33 4.844 2.815 9.090
242 H HIS 34 H HIS 34 6.158 5.626 4.888
243 HA HIS 34 HA HIS 34 9.055 5.353 5.283
244 HB2 HIS 34 1HB HIS 34 7.405 6.328 2.921
245 HB3 HIS 34 2HB HIS 34 9.144 6.048 2.915
246 HD1 HIS 34 1HD HIS 34 9.724 3.303 3.777
247 HD2 HIS 34 2HD HIS 34 6.093 4.313 1.911
248 HE1 HIS 34 1HE HIS 34 8.809 1.133 2.837
249 H THR 35 H THR 35 6.681 8.006 5.320
250 HA THR 35 HA THR 35 8.802 10.060 5.333
251 HB THR 35 HB THR 35 6.954 11.667 5.521
252 HG1 THR 35 1HG THR 35 4.858 10.926 5.389
253 HG21 THR 35 3HG2 THR 35 6.000 11.326 3.304
254 HG22 THR 35 1HG2 THR 35 6.465 9.612 3.316
255 HG23 THR 35 2HG2 THR 35 7.714 10.877 3.278
256 H ALA 36 H ALA 36 6.564 8.585 7.712
257 HA ALA 36 HA ALA 36 7.253 10.305 9.884
258 HB1 ALA 36 1HB ALA 36 6.227 7.435 9.899
259 HB2 ALA 36 2HB ALA 36 6.160 8.581 11.255
260 HB3 ALA 36 3HB ALA 36 5.224 8.903 9.783
261 H LEU 37 H LEU 37 9.178 7.893 8.400
262 HA LEU 37 HA LEU 37 10.840 7.122 10.619
263 HB2 LEU 37 1HB LEU 37 10.572 5.890 8.470
264 HB3 LEU 37 2HB LEU 37 11.363 7.216 7.619
265 HG LEU 37 HG LEU 37 13.476 6.756 8.826
266 HD11 LEU 37 1HD1 LEU 37 13.701 4.646 10.132
267 HD12 LEU 37 2HD1 LEU 37 11.937 4.421 10.057
268 HD13 LEU 37 3HD1 LEU 37 12.638 5.802 10.935
269 HD21 LEU 37 3HD2 LEU 37 12.246 4.286 7.537
270 HD22 LEU 37 1HD2 LEU 37 13.982 4.623 7.729
271 HD23 LEU 37 2HD2 LEU 37 12.995 5.650 6.676
272 H ASP 38 H ASP 38 10.702 9.991 8.661
273 HA ASP 38 HA ASP 38 11.966 11.846 8.382
274 HB2 ASP 38 1HB ASP 38 10.859 12.172 10.523
275 HB3 ASP 38 2HB ASP 38 12.240 11.492 11.376
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -9.429 -21.489 -11.354
2 H2 GLY 1 2H GLY 1 -8.636 -22.923 -11.417
3 H3 GLY 1 3H GLY 1 -8.024 -21.682 -10.536
4 HA2 GLY 1 1HA GLY 1 -10.539 -23.112 -9.964
5 HA3 GLY 1 2HA GLY 1 -9.017 -23.316 -9.077
6 H SER 2 H SER 2 -10.877 -22.752 -7.430
7 HA SER 2 HA SER 2 -11.577 -19.953 -7.127
8 HB2 SER 2 1HB SER 2 -11.967 -22.272 -5.206
9 HB3 SER 2 2HB SER 2 -12.786 -20.702 -5.149
10 HG SER 2 HG SER 2 -13.779 -21.185 -7.132
11 H SER 3 H SER 3 -8.927 -19.837 -7.219
12 HA SER 3 HA SER 3 -7.578 -20.147 -4.680
13 HB2 SER 3 1HB SER 3 -6.581 -18.894 -7.260
14 HB3 SER 3 2HB SER 3 -5.596 -19.462 -5.896
15 HG SER 3 HG SER 3 -5.693 -21.031 -7.548
16 H GLY 4 H GLY 4 -9.508 -18.465 -3.989
17 HA2 GLY 4 1HA GLY 4 -9.830 -16.513 -2.754
18 HA3 GLY 4 2HA GLY 4 -8.169 -16.033 -3.084
19 H SER 5 H SER 5 -9.180 -13.886 -3.258
20 HA SER 5 HA SER 5 -11.072 -13.169 -5.247
21 HB2 SER 5 1HB SER 5 -8.972 -11.427 -3.904
22 HB3 SER 5 2HB SER 5 -10.421 -10.858 -4.755
23 HG SER 5 HG SER 5 -10.735 -10.978 -2.475
24 H SER 6 H SER 6 -10.953 -12.347 -7.286
25 HA SER 6 HA SER 6 -8.482 -12.819 -8.813
26 HB2 SER 6 1HB SER 6 -9.989 -12.584 -10.761
27 HB3 SER 6 2HB SER 6 -10.522 -13.815 -9.604
28 HG SER 6 HG SER 6 -12.250 -12.451 -10.295
29 H GLY 7 H GLY 7 -9.916 -10.054 -7.411
30 HA2 GLY 7 1HA GLY 7 -9.330 -8.057 -9.389
31 HA3 GLY 7 2HA GLY 7 -9.599 -7.774 -7.672
32 H ILE 8 H ILE 8 -7.723 -6.396 -9.334
33 HA ILE 8 HA ILE 8 -5.047 -7.371 -8.584
34 HB ILE 8 HB ILE 8 -4.180 -5.610 -10.013
35 HG12 ILE 8 1HG1 ILE 8 -7.076 -5.010 -10.783
36 HG13 ILE 8 2HG1 ILE 8 -6.054 -3.968 -9.788
37 HG21 ILE 8 1HG2 ILE 8 -4.684 -7.927 -10.814
38 HG22 ILE 8 2HG2 ILE 8 -6.246 -7.347 -11.432
39 HG23 ILE 8 3HG2 ILE 8 -4.722 -6.721 -12.099
40 HD11 ILE 8 3HD1 ILE 8 -4.438 -3.776 -11.685
41 HD12 ILE 8 1HD1 ILE 8 -5.584 -4.683 -12.703
42 HD13 ILE 8 2HD1 ILE 8 -6.049 -3.113 -12.030
43 H LEU 9 H LEU 9 -3.585 -6.278 -7.440
44 HA LEU 9 HA LEU 9 -4.587 -4.380 -5.396
45 HB2 LEU 9 1HB LEU 9 -2.167 -6.218 -5.587
46 HB3 LEU 9 2HB LEU 9 -2.291 -4.933 -4.394
47 HG LEU 9 HG LEU 9 -4.341 -5.894 -3.491
48 HD11 LEU 9 1HD1 LEU 9 -4.882 -8.300 -3.953
49 HD12 LEU 9 2HD1 LEU 9 -3.806 -8.229 -5.366
50 HD13 LEU 9 3HD1 LEU 9 -5.278 -7.225 -5.286
51 HD21 LEU 9 3HD2 LEU 9 -1.983 -7.809 -3.567
52 HD22 LEU 9 1HD2 LEU 9 -3.255 -7.769 -2.324
53 HD23 LEU 9 2HD2 LEU 9 -2.152 -6.402 -2.499
54 H LEU 10 H LEU 10 -3.513 -2.540 -4.797
55 HA LEU 10 HA LEU 10 -1.900 -1.084 -6.810
56 HB2 LEU 10 1HB LEU 10 -2.795 -0.235 -4.029
57 HB3 LEU 10 2HB LEU 10 -2.146 0.798 -5.302
58 HG LEU 10 HG LEU 10 -4.853 -0.611 -5.375
59 HD11 LEU 10 1HD1 LEU 10 -4.708 1.201 -3.722
60 HD12 LEU 10 2HD1 LEU 10 -5.768 1.637 -5.075
61 HD13 LEU 10 3HD1 LEU 10 -4.127 2.318 -4.978
62 HD21 LEU 10 3HD2 LEU 10 -5.290 0.836 -7.340
63 HD22 LEU 10 1HD2 LEU 10 -3.963 -0.290 -7.655
64 HD23 LEU 10 2HD2 LEU 10 -3.609 1.416 -7.289
65 H LYS 11 H LYS 11 0.231 -0.284 -6.219
66 HA LYS 11 HA LYS 11 1.658 -1.938 -4.155
67 HB2 LYS 11 1HB LYS 11 2.594 -1.213 -6.958
68 HB3 LYS 11 2HB LYS 11 3.570 -2.014 -5.721
69 HG2 LYS 11 1HG LYS 11 1.953 -3.909 -5.671
70 HG3 LYS 11 2HG LYS 11 1.015 -3.133 -6.962
71 HD2 LYS 11 1HD LYS 11 2.993 -3.233 -8.460
72 HD3 LYS 11 2HD LYS 11 3.924 -4.028 -7.171
73 HE2 LYS 11 1HE LYS 11 2.279 -5.894 -7.141
74 HE3 LYS 11 2HE LYS 11 1.351 -5.100 -8.421
75 HZ1 LYS 11 3HZ LYS 11 3.292 -5.330 -9.881
76 HZ2 LYS 11 1HZ LYS 11 2.836 -6.795 -9.327
77 HZ3 LYS 11 2HZ LYS 11 4.150 -6.063 -8.698
78 H CYS 12 H CYS 12 3.359 -1.080 -3.077
79 HA CYS 12 HA CYS 12 3.361 1.730 -2.574
80 HB2 CYS 12 1HB CYS 12 3.824 -0.096 -0.976
81 HB3 CYS 12 2HB CYS 12 5.367 -0.405 -1.801
82 HA PRO 13 HA PRO 13 6.213 2.835 -5.875
83 HB2 PRO 13 1HB PRO 13 6.472 5.504 -5.451
84 HB3 PRO 13 2HB PRO 13 4.915 4.768 -5.941
85 HG2 PRO 13 1HG PRO 13 5.830 5.474 -3.128
86 HG3 PRO 13 2HG PRO 13 4.288 5.924 -3.931
87 HD2 PRO 13 1HD PRO 13 4.500 3.751 -2.290
88 HD3 PRO 13 2HD PRO 13 3.436 3.740 -3.726
89 H THR 14 H THR 14 7.142 2.757 -2.581
90 HA THR 14 HA THR 14 9.747 4.053 -2.841
91 HB THR 14 HB THR 14 8.604 2.321 -0.628
92 HG1 THR 14 1HG THR 14 7.527 4.257 -0.886
93 HG21 THR 14 3HG2 THR 14 11.030 2.307 -0.399
94 HG22 THR 14 1HG2 THR 14 10.357 3.435 0.779
95 HG23 THR 14 2HG2 THR 14 11.109 4.062 -0.703
96 H ASP 15 H ASP 15 11.663 3.203 -3.425
97 HA ASP 15 HA ASP 15 11.710 0.792 -4.885
98 HB2 ASP 15 1HB ASP 15 13.098 2.793 -5.306
99 HB3 ASP 15 2HB ASP 15 14.017 2.473 -3.834
100 H GLY 16 H GLY 16 12.764 1.364 -1.548
101 HA2 GLY 16 1HA GLY 16 13.965 -1.287 -1.188
102 HA3 GLY 16 2HA GLY 16 13.709 -0.049 0.042
103 H CYS 17 H CYS 17 10.760 -0.494 -1.488
104 HA CYS 17 HA CYS 17 9.724 -2.086 0.795
105 HB2 CYS 17 1HB CYS 17 9.135 0.334 0.306
106 HB3 CYS 17 2HB CYS 17 8.218 -0.269 -1.083
107 H ASP 18 H ASP 18 7.745 -3.270 0.351
108 HA ASP 18 HA ASP 18 7.592 -4.730 -2.239
109 HB2 ASP 18 1HB ASP 18 9.240 -5.879 -0.698
110 HB3 ASP 18 2HB ASP 18 7.920 -6.146 0.436
111 H TYR 19 H TYR 19 5.921 -2.976 -0.123
112 HA TYR 19 HA TYR 19 3.705 -4.660 0.612
113 HB2 TYR 19 1HB TYR 19 4.419 -2.832 1.989
114 HB3 TYR 19 2HB TYR 19 4.199 -1.682 0.686
115 HD1 TYR 19 2HD TYR 19 2.494 -3.768 3.224
116 HD2 TYR 19 1HD TYR 19 1.954 -0.836 0.099
117 HE1 TYR 19 2HE TYR 19 0.190 -3.306 4.049
118 HE2 TYR 19 1HE TYR 19 -0.330 -0.366 0.942
119 HH TYR 19 HH TYR 19 -1.709 -2.061 3.784
120 H SER 20 H SER 20 1.654 -4.797 -0.106
121 HA SER 20 HA SER 20 0.648 -3.102 -2.253
122 HB2 SER 20 1HB SER 20 -0.219 -5.027 -3.580
123 HB3 SER 20 2HB SER 20 1.548 -4.874 -3.613
124 HG SER 20 HG SER 20 1.693 -6.558 -2.120
125 H THR 21 H THR 21 -1.631 -3.113 -2.481
126 HA THR 21 HA THR 21 -3.326 -4.604 -0.612
127 HB THR 21 HB THR 21 -2.520 -2.931 0.907
128 HG1 THR 21 1HG THR 21 -4.420 -2.309 1.598
129 HG21 THR 21 3HG2 THR 21 -1.846 -1.140 -0.720
130 HG22 THR 21 1HG2 THR 21 -2.847 -0.546 0.612
131 HG23 THR 21 2HG2 THR 21 -3.564 -0.783 -0.994
132 HA PRO 22 HA PRO 22 -6.160 -3.491 -3.911
133 HB2 PRO 22 1HB PRO 22 -8.562 -4.309 -2.931
134 HB3 PRO 22 2HB PRO 22 -7.260 -5.453 -3.379
135 HG2 PRO 22 1HG PRO 22 -7.906 -4.365 -0.616
136 HG3 PRO 22 2HG PRO 22 -7.682 -6.078 -1.102
137 HD2 PRO 22 1HD PRO 22 -5.668 -4.620 -0.007
138 HD3 PRO 22 2HD PRO 22 -5.343 -5.811 -1.291
139 H ASP 23 H ASP 23 -6.135 -1.820 -0.880
140 HA ASP 23 HA ASP 23 -8.253 0.086 -1.810
141 HB2 ASP 23 1HB ASP 23 -8.440 -1.242 0.452
142 HB3 ASP 23 2HB ASP 23 -7.262 -0.100 1.011
143 H LYS 24 H LYS 24 -7.658 2.010 -2.485
144 HA LYS 24 HA LYS 24 -5.086 3.187 -2.356
145 HB2 LYS 24 1HB LYS 24 -6.040 5.154 -3.208
146 HB3 LYS 24 2HB LYS 24 -6.890 3.826 -3.969
147 HG2 LYS 24 1HG LYS 24 -7.978 5.459 -1.629
148 HG3 LYS 24 2HG LYS 24 -8.279 5.842 -3.308
149 HD2 LYS 24 1HD LYS 24 -9.693 4.009 -3.668
150 HD3 LYS 24 2HD LYS 24 -9.033 3.095 -2.326
151 HE2 LYS 24 1HE LYS 24 -9.958 5.166 -0.907
152 HE3 LYS 24 2HE LYS 24 -11.081 5.271 -2.269
153 HZ1 LYS 24 3HZ LYS 24 -11.644 2.916 -1.840
154 HZ2 LYS 24 1HZ LYS 24 -11.875 3.791 -0.474
155 HZ3 LYS 24 2HZ LYS 24 -10.542 2.847 -0.619
156 H TYR 25 H TYR 25 -7.712 3.375 0.055
157 HA TYR 25 HA TYR 25 -6.411 5.495 1.588
158 HB2 TYR 25 1HB TYR 25 -8.499 3.448 2.413
159 HB3 TYR 25 2HB TYR 25 -8.002 4.831 3.371
160 HD1 TYR 25 1HD TYR 25 -7.934 6.897 0.978
161 HD2 TYR 25 2HD TYR 25 -10.815 4.002 2.392
162 HE1 TYR 25 1HE TYR 25 -9.771 8.282 0.067
163 HE2 TYR 25 2HE TYR 25 -12.662 5.423 1.499
164 HH TYR 25 HH TYR 25 -12.036 8.515 -0.203
165 H LYS 26 H LYS 26 -6.333 1.940 1.729
166 HA LYS 26 HA LYS 26 -4.750 1.669 4.125
167 HB2 LYS 26 1HB LYS 26 -5.252 -0.133 1.771
168 HB3 LYS 26 2HB LYS 26 -4.262 -0.586 3.133
169 HG2 LYS 26 1HG LYS 26 -6.728 -1.291 3.089
170 HG3 LYS 26 2HG LYS 26 -5.982 -0.813 4.578
171 HD2 LYS 26 1HD LYS 26 -7.101 1.331 4.575
172 HD3 LYS 26 2HD LYS 26 -7.842 1.006 3.009
173 HE2 LYS 26 1HE LYS 26 -8.298 -0.714 5.481
174 HE3 LYS 26 2HE LYS 26 -9.295 0.682 5.062
175 HZ1 LYS 26 3HZ LYS 26 -9.818 -0.402 2.931
176 HZ2 LYS 26 1HZ LYS 26 -10.316 -1.303 4.204
177 HZ3 LYS 26 2HZ LYS 26 -8.977 -1.740 3.379
178 H LEU 27 H LEU 27 -3.949 1.912 0.643
179 HA LEU 27 HA LEU 27 -1.123 1.731 0.949
180 HB2 LEU 27 1HB LEU 27 -2.321 1.449 -1.199
181 HB3 LEU 27 2HB LEU 27 -2.753 3.160 -1.175
182 HG LEU 27 HG LEU 27 -0.386 3.806 -1.372
183 HD11 LEU 27 1HD1 LEU 27 0.754 1.965 -0.217
184 HD12 LEU 27 2HD1 LEU 27 1.333 2.085 -1.873
185 HD13 LEU 27 3HD1 LEU 27 0.179 0.805 -1.445
186 HD21 LEU 27 3HD2 LEU 27 -1.723 3.356 -3.416
187 HD22 LEU 27 1HD2 LEU 27 -1.143 1.675 -3.401
188 HD23 LEU 27 2HD2 LEU 27 -0.000 3.010 -3.650
189 H GLN 28 H GLN 28 -3.206 4.707 0.790
190 HA GLN 28 HA GLN 28 -1.113 6.589 1.226
191 HB2 GLN 28 1HB GLN 28 -4.061 6.577 1.990
192 HB3 GLN 28 2HB GLN 28 -3.031 7.972 2.274
193 HG2 GLN 28 1HG GLN 28 -3.395 6.721 -0.485
194 HG3 GLN 28 2HG GLN 28 -4.419 7.993 0.164
195 HE21 GLN 28 2HE2 GLN 28 -3.244 8.639 -2.163
196 HE22 GLN 28 1HE2 GLN 28 -1.880 9.716 -1.896
197 H ALA 29 H ALA 29 -3.103 4.848 3.655
198 HA ALA 29 HA ALA 29 -1.789 5.878 5.963
199 HB1 ALA 29 1HB ALA 29 -3.953 4.697 5.990
200 HB2 ALA 29 2HB ALA 29 -3.141 3.180 5.545
201 HB3 ALA 29 3HB ALA 29 -2.794 3.950 7.106
202 H HIS 30 H HIS 30 -0.734 3.299 3.739
203 HA HIS 30 HA HIS 30 1.529 2.499 5.445
204 HB2 HIS 30 1HB HIS 30 0.502 0.836 4.043
205 HB3 HIS 30 2HB HIS 30 0.705 1.822 2.599
206 HD1 HIS 30 1HD HIS 30 2.837 -0.279 5.019
207 HD2 HIS 30 2HD HIS 30 3.060 1.867 1.415
208 HE1 HIS 30 1HE HIS 30 5.132 -0.784 4.060
209 H LEU 31 H LEU 31 1.114 4.757 2.641
210 HA LEU 31 HA LEU 31 3.883 5.232 2.202
211 HB2 LEU 31 1HB LEU 31 1.622 7.249 2.012
212 HB3 LEU 31 2HB LEU 31 3.226 7.444 1.333
213 HG LEU 31 HG LEU 31 1.077 5.517 0.420
214 HD11 LEU 31 1HD1 LEU 31 0.887 7.853 -0.323
215 HD12 LEU 31 2HD1 LEU 31 1.229 6.748 -1.665
216 HD13 LEU 31 3HD1 LEU 31 2.529 7.764 -1.002
217 HD21 LEU 31 3HD2 LEU 31 3.194 4.294 0.233
218 HD22 LEU 31 1HD2 LEU 31 3.945 5.694 -0.572
219 HD23 LEU 31 2HD2 LEU 31 2.620 4.797 -1.353
220 H LYS 32 H LYS 32 1.802 6.532 4.743
221 HA LYS 32 HA LYS 32 3.528 8.455 5.917
222 HB2 LYS 32 1HB LYS 32 1.530 6.563 7.219
223 HB3 LYS 32 2HB LYS 32 2.287 7.939 8.027
224 HG2 LYS 32 1HG LYS 32 1.292 9.501 6.416
225 HG3 LYS 32 2HG LYS 32 0.537 8.158 5.540
226 HD2 LYS 32 1HD LYS 32 -0.716 7.528 7.600
227 HD3 LYS 32 2HD LYS 32 -0.037 8.925 8.441
228 HE2 LYS 32 1HE LYS 32 -1.730 9.056 5.897
229 HE3 LYS 32 2HE LYS 32 -2.373 9.238 7.533
230 HZ1 LYS 32 3HZ LYS 32 -1.941 11.396 6.549
231 HZ2 LYS 32 1HZ LYS 32 -0.371 11.048 6.290
232 HZ3 LYS 32 2HZ LYS 32 -0.940 11.190 7.818
233 H VAL 33 H VAL 33 3.808 4.951 6.000
234 HA VAL 33 HA VAL 33 5.588 4.808 8.264
235 HB VAL 33 HB VAL 33 4.132 2.981 6.874
236 HG11 VAL 33 1HG1 VAL 33 6.995 2.275 6.097
237 HG12 VAL 33 2HG1 VAL 33 5.523 1.340 5.804
238 HG13 VAL 33 3HG1 VAL 33 5.769 2.872 4.960
239 HG21 VAL 33 3HG2 VAL 33 5.183 1.275 8.210
240 HG22 VAL 33 1HG2 VAL 33 6.556 2.360 8.566
241 HG23 VAL 33 2HG2 VAL 33 4.915 2.752 9.148
242 H HIS 34 H HIS 34 6.074 5.674 4.948
243 HA HIS 34 HA HIS 34 9.029 5.414 5.119
244 HB2 HIS 34 1HB HIS 34 7.210 6.181 2.805
245 HB3 HIS 34 2HB HIS 34 8.955 5.968 2.724
246 HD1 HIS 34 1HD HIS 34 9.703 3.296 3.650
247 HD2 HIS 34 2HD HIS 34 5.902 4.083 2.028
248 HE1 HIS 34 1HE HIS 34 8.808 1.048 2.879
249 H THR 35 H THR 35 6.504 7.956 5.031
250 HA THR 35 HA THR 35 8.494 10.093 4.740
251 HB THR 35 HB THR 35 6.611 11.629 4.993
252 HG1 THR 35 1HG THR 35 4.548 10.810 5.185
253 HG21 THR 35 3HG2 THR 35 5.960 9.362 3.057
254 HG22 THR 35 1HG2 THR 35 7.130 10.666 2.755
255 HG23 THR 35 2HG2 THR 35 5.411 11.048 2.952
256 H ALA 36 H ALA 36 6.771 8.611 7.480
257 HA ALA 36 HA ALA 36 7.783 10.555 9.406
258 HB1 ALA 36 1HB ALA 36 6.878 9.004 11.071
259 HB2 ALA 36 2HB ALA 36 5.693 9.296 9.783
260 HB3 ALA 36 3HB ALA 36 6.614 7.774 9.817
261 H LEU 37 H LEU 37 9.517 10.381 10.768
262 HA LEU 37 HA LEU 37 11.564 8.264 10.207
263 HB2 LEU 37 1HB LEU 37 11.951 11.224 10.772
264 HB3 LEU 37 2HB LEU 37 13.249 10.055 10.564
265 HG LEU 37 HG LEU 37 11.246 10.826 8.398
266 HD11 LEU 37 1HD1 LEU 37 14.186 11.537 8.749
267 HD12 LEU 37 2HD1 LEU 37 12.810 12.640 8.974
268 HD13 LEU 37 3HD1 LEU 37 13.153 11.975 7.368
269 HD21 LEU 37 3HD2 LEU 37 12.804 9.635 6.873
270 HD22 LEU 37 1HD2 LEU 37 12.075 8.533 8.041
271 HD23 LEU 37 2HD2 LEU 37 13.750 9.082 8.275
272 H ASP 38 H ASP 38 9.496 9.049 12.572
273 HA ASP 38 HA ASP 38 11.201 7.979 14.738
274 HB2 ASP 38 1HB ASP 38 11.441 10.423 14.922
275 HB3 ASP 38 2HB ASP 38 9.692 10.613 14.949
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -10.395 -21.419 -17.361
2 H2 GLY 1 2H GLY 1 -9.174 -22.136 -16.536
3 H3 GLY 1 3H GLY 1 -8.859 -20.891 -17.556
4 HA2 GLY 1 1HA GLY 1 -10.415 -20.714 -15.056
5 HA3 GLY 1 2HA GLY 1 -8.756 -20.129 -15.278
6 H SER 2 H SER 2 -9.618 -18.054 -14.571
7 HA SER 2 HA SER 2 -10.495 -16.379 -16.840
8 HB2 SER 2 1HB SER 2 -12.610 -17.059 -15.767
9 HB3 SER 2 2HB SER 2 -12.018 -16.466 -14.204
10 HG SER 2 HG SER 2 -13.382 -14.977 -15.425
11 H SER 3 H SER 3 -9.974 -14.201 -16.617
12 HA SER 3 HA SER 3 -7.955 -13.452 -14.594
13 HB2 SER 3 1HB SER 3 -7.745 -11.406 -15.971
14 HB3 SER 3 2HB SER 3 -7.482 -12.894 -16.894
15 HG SER 3 HG SER 3 -8.858 -11.407 -17.996
16 H GLY 4 H GLY 4 -11.343 -13.337 -14.788
17 HA2 GLY 4 1HA GLY 4 -11.949 -10.762 -13.716
18 HA3 GLY 4 2HA GLY 4 -12.984 -12.184 -13.646
19 H SER 5 H SER 5 -12.247 -9.994 -11.683
20 HA SER 5 HA SER 5 -12.057 -11.645 -9.265
21 HB2 SER 5 1HB SER 5 -9.667 -11.211 -9.943
22 HB3 SER 5 2HB SER 5 -9.986 -9.473 -9.795
23 HG SER 5 HG SER 5 -9.081 -10.370 -7.880
24 H SER 6 H SER 6 -12.376 -10.308 -7.295
25 HA SER 6 HA SER 6 -14.493 -8.356 -7.569
26 HB2 SER 6 1HB SER 6 -12.823 -9.090 -5.134
27 HB3 SER 6 2HB SER 6 -14.368 -8.216 -5.128
28 HG SER 6 HG SER 6 -14.636 -10.460 -4.694
29 H GLY 7 H GLY 7 -11.059 -8.002 -7.646
30 HA2 GLY 7 1HA GLY 7 -11.143 -5.211 -8.194
31 HA3 GLY 7 2HA GLY 7 -10.620 -5.442 -6.522
32 H ILE 8 H ILE 8 -8.793 -4.247 -7.797
33 HA ILE 8 HA ILE 8 -6.680 -6.247 -8.434
34 HB ILE 8 HB ILE 8 -5.670 -4.719 -10.041
35 HG12 ILE 8 1HG1 ILE 8 -8.276 -3.129 -9.942
36 HG13 ILE 8 2HG1 ILE 8 -6.734 -2.593 -9.266
37 HG21 ILE 8 1HG2 ILE 8 -7.072 -5.359 -11.904
38 HG22 ILE 8 2HG2 ILE 8 -7.142 -6.641 -10.696
39 HG23 ILE 8 3HG2 ILE 8 -8.498 -5.504 -10.855
40 HD11 ILE 8 3HD1 ILE 8 -7.022 -1.543 -11.405
41 HD12 ILE 8 1HD1 ILE 8 -5.710 -2.734 -11.543
42 HD13 ILE 8 2HD1 ILE 8 -7.324 -3.095 -12.204
43 H LEU 9 H LEU 9 -4.569 -5.717 -7.790
44 HA LEU 9 HA LEU 9 -4.566 -4.089 -5.349
45 HB2 LEU 9 1HB LEU 9 -2.691 -6.168 -6.493
46 HB3 LEU 9 2HB LEU 9 -2.188 -5.087 -5.201
47 HG LEU 9 HG LEU 9 -4.102 -5.831 -3.804
48 HD11 LEU 9 1HD1 LEU 9 -4.472 -7.936 -5.971
49 HD12 LEU 9 2HD1 LEU 9 -5.673 -6.734 -5.430
50 HD13 LEU 9 3HD1 LEU 9 -5.170 -8.021 -4.339
51 HD21 LEU 9 3HD2 LEU 9 -1.860 -6.772 -3.520
52 HD22 LEU 9 1HD2 LEU 9 -2.206 -8.017 -4.741
53 HD23 LEU 9 2HD2 LEU 9 -3.093 -7.995 -3.200
54 H LEU 10 H LEU 10 -3.432 -2.407 -4.873
55 HA LEU 10 HA LEU 10 -1.872 -0.881 -6.889
56 HB2 LEU 10 1HB LEU 10 -2.760 -0.115 -4.081
57 HB3 LEU 10 2HB LEU 10 -2.098 0.957 -5.315
58 HG LEU 10 HG LEU 10 -4.816 -0.434 -5.473
59 HD11 LEU 10 1HD1 LEU 10 -5.733 1.791 -5.033
60 HD12 LEU 10 2HD1 LEU 10 -4.091 2.450 -4.835
61 HD13 LEU 10 3HD1 LEU 10 -4.719 1.237 -3.692
62 HD21 LEU 10 3HD2 LEU 10 -3.893 0.059 -7.713
63 HD22 LEU 10 1HD2 LEU 10 -3.569 1.739 -7.217
64 HD23 LEU 10 2HD2 LEU 10 -5.239 1.141 -7.329
65 H LYS 11 H LYS 11 0.280 -0.153 -6.258
66 HA LYS 11 HA LYS 11 1.644 -1.872 -4.205
67 HB2 LYS 11 1HB LYS 11 2.650 -1.093 -6.968
68 HB3 LYS 11 2HB LYS 11 3.600 -1.903 -5.719
69 HG2 LYS 11 1HG LYS 11 2.013 -3.826 -5.750
70 HG3 LYS 11 2HG LYS 11 1.069 -3.021 -7.008
71 HD2 LYS 11 1HD LYS 11 2.453 -4.678 -8.047
72 HD3 LYS 11 2HD LYS 11 3.042 -3.080 -8.524
73 HE2 LYS 11 1HE LYS 11 4.859 -3.244 -6.833
74 HE3 LYS 11 2HE LYS 11 4.238 -4.815 -6.310
75 HZ1 LYS 11 3HZ LYS 11 4.719 -5.670 -8.544
76 HZ2 LYS 11 1HZ LYS 11 6.077 -5.062 -7.877
77 HZ3 LYS 11 2HZ LYS 11 5.289 -4.216 -9.027
78 H CYS 12 H CYS 12 3.301 -1.049 -3.044
79 HA CYS 12 HA CYS 12 3.460 1.785 -2.601
80 HB2 CYS 12 1HB CYS 12 3.763 0.008 -0.913
81 HB3 CYS 12 2HB CYS 12 5.271 -0.477 -1.713
82 HA PRO 13 HA PRO 13 6.526 2.422 -5.883
83 HB2 PRO 13 1HB PRO 13 6.756 5.113 -5.810
84 HB3 PRO 13 2HB PRO 13 5.206 4.328 -6.244
85 HG2 PRO 13 1HG PRO 13 6.046 5.397 -3.522
86 HG3 PRO 13 2HG PRO 13 4.532 5.743 -4.423
87 HD2 PRO 13 1HD PRO 13 4.725 3.784 -2.496
88 HD3 PRO 13 2HD PRO 13 3.639 3.638 -3.914
89 H THR 14 H THR 14 7.203 2.680 -2.563
90 HA THR 14 HA THR 14 9.644 4.216 -2.675
91 HB THR 14 HB THR 14 8.715 2.421 -0.410
92 HG1 THR 14 1HG THR 14 7.083 3.807 -0.746
93 HG21 THR 14 3HG2 THR 14 9.901 4.117 0.984
94 HG22 THR 14 1HG2 THR 14 10.498 4.898 -0.493
95 HG23 THR 14 2HG2 THR 14 11.002 3.241 -0.076
96 H ASP 15 H ASP 15 11.779 3.620 -2.697
97 HA ASP 15 HA ASP 15 12.538 1.106 -3.805
98 HB2 ASP 15 1HB ASP 15 13.810 3.174 -4.127
99 HB3 ASP 15 2HB ASP 15 14.196 3.233 -2.404
100 H GLY 16 H GLY 16 13.228 -0.780 -2.949
101 HA2 GLY 16 1HA GLY 16 13.815 -2.406 -1.419
102 HA3 GLY 16 2HA GLY 16 14.009 -1.170 -0.175
103 H CYS 17 H CYS 17 10.944 -0.608 -1.235
104 HA CYS 17 HA CYS 17 9.649 -2.324 0.807
105 HB2 CYS 17 1HB CYS 17 9.411 0.179 0.741
106 HB3 CYS 17 2HB CYS 17 8.481 -0.018 -0.754
107 H ASP 18 H ASP 18 7.810 -3.513 0.328
108 HA ASP 18 HA ASP 18 7.447 -4.463 -2.483
109 HB2 ASP 18 1HB ASP 18 9.176 -5.810 -1.222
110 HB3 ASP 18 2HB ASP 18 7.910 -6.281 -0.092
111 H TYR 19 H TYR 19 5.859 -3.007 -0.184
112 HA TYR 19 HA TYR 19 3.639 -4.704 0.481
113 HB2 TYR 19 1HB TYR 19 4.357 -2.906 1.906
114 HB3 TYR 19 2HB TYR 19 4.137 -1.726 0.635
115 HD1 TYR 19 2HD TYR 19 2.440 -3.861 3.135
116 HD2 TYR 19 1HD TYR 19 1.877 -0.887 0.057
117 HE1 TYR 19 2HE TYR 19 0.133 -3.433 3.965
118 HE2 TYR 19 1HE TYR 19 -0.412 -0.440 0.915
119 HH TYR 19 HH TYR 19 -1.780 -2.209 3.714
120 H SER 20 H SER 20 1.614 -4.885 -0.307
121 HA SER 20 HA SER 20 0.609 -3.104 -2.398
122 HB2 SER 20 1HB SER 20 -0.115 -4.966 -3.859
123 HB3 SER 20 2HB SER 20 1.649 -4.836 -3.736
124 HG SER 20 HG SER 20 0.996 -7.001 -3.530
125 H THR 21 H THR 21 -1.653 -3.098 -2.649
126 HA THR 21 HA THR 21 -3.385 -4.728 -0.941
127 HB THR 21 HB THR 21 -2.614 -3.180 0.732
128 HG1 THR 21 1HG THR 21 -4.546 -2.484 1.397
129 HG21 THR 21 3HG2 THR 21 -2.972 -0.776 0.635
130 HG22 THR 21 1HG2 THR 21 -3.650 -0.890 -0.998
131 HG23 THR 21 2HG2 THR 21 -1.935 -1.250 -0.720
132 HA PRO 22 HA PRO 22 -6.196 -3.215 -4.158
133 HB2 PRO 22 1HB PRO 22 -8.571 -4.236 -3.347
134 HB3 PRO 22 2HB PRO 22 -7.240 -5.282 -3.926
135 HG2 PRO 22 1HG PRO 22 -7.963 -4.613 -1.053
136 HG3 PRO 22 2HG PRO 22 -7.670 -6.231 -1.769
137 HD2 PRO 22 1HD PRO 22 -5.742 -4.830 -0.426
138 HD3 PRO 22 2HD PRO 22 -5.340 -5.891 -1.798
139 H ASP 23 H ASP 23 -6.161 -2.128 -0.910
140 HA ASP 23 HA ASP 23 -8.405 -0.195 -1.271
141 HB2 ASP 23 1HB ASP 23 -6.927 -1.360 1.077
142 HB3 ASP 23 2HB ASP 23 -7.900 0.083 1.271
143 H LYS 24 H LYS 24 -7.825 1.710 -2.123
144 HA LYS 24 HA LYS 24 -5.237 2.855 -2.107
145 HB2 LYS 24 1HB LYS 24 -6.259 4.863 -2.942
146 HB3 LYS 24 2HB LYS 24 -7.016 3.460 -3.687
147 HG2 LYS 24 1HG LYS 24 -8.952 3.703 -2.083
148 HG3 LYS 24 2HG LYS 24 -8.190 5.176 -1.448
149 HD2 LYS 24 1HD LYS 24 -8.276 6.196 -3.703
150 HD3 LYS 24 2HD LYS 24 -9.062 4.728 -4.332
151 HE2 LYS 24 1HE LYS 24 -10.931 5.064 -2.713
152 HE3 LYS 24 2HE LYS 24 -10.143 6.534 -2.127
153 HZ1 LYS 24 3HZ LYS 24 -11.849 7.050 -3.763
154 HZ2 LYS 24 1HZ LYS 24 -11.131 6.123 -4.900
155 HZ3 LYS 24 2HZ LYS 24 -10.393 7.481 -4.360
156 H TYR 25 H TYR 25 -7.808 3.280 0.290
157 HA TYR 25 HA TYR 25 -6.470 5.355 1.776
158 HB2 TYR 25 1HB TYR 25 -8.596 3.374 2.669
159 HB3 TYR 25 2HB TYR 25 -8.145 4.858 3.500
160 HD1 TYR 25 2HD TYR 25 -8.359 7.096 2.155
161 HD2 TYR 25 1HD TYR 25 -10.345 3.426 1.045
162 HE1 TYR 25 2HE TYR 25 -10.034 8.396 0.856
163 HE2 TYR 25 1HE TYR 25 -12.022 4.733 -0.252
164 HH TYR 25 HH TYR 25 -11.920 8.310 -0.447
165 H LYS 26 H LYS 26 -6.285 1.813 1.909
166 HA LYS 26 HA LYS 26 -4.639 1.736 4.341
167 HB2 LYS 26 1HB LYS 26 -5.212 -0.355 2.207
168 HB3 LYS 26 2HB LYS 26 -4.265 -0.639 3.659
169 HG2 LYS 26 1HG LYS 26 -6.226 0.004 5.075
170 HG3 LYS 26 2HG LYS 26 -7.192 0.188 3.602
171 HD2 LYS 26 1HD LYS 26 -6.622 -2.237 3.053
172 HD3 LYS 26 2HD LYS 26 -5.918 -2.375 4.665
173 HE2 LYS 26 1HE LYS 26 -7.999 -2.089 5.746
174 HE3 LYS 26 2HE LYS 26 -8.722 -1.283 4.347
175 HZ1 LYS 26 3HZ LYS 26 -8.021 -4.162 4.383
176 HZ2 LYS 26 1HZ LYS 26 -8.755 -3.343 3.155
177 HZ3 LYS 26 2HZ LYS 26 -9.532 -3.565 4.578
178 H LEU 27 H LEU 27 -4.003 1.771 0.810
179 HA LEU 27 HA LEU 27 -1.157 1.662 1.081
180 HB2 LEU 27 1HB LEU 27 -2.343 1.305 -1.058
181 HB3 LEU 27 2HB LEU 27 -2.833 2.997 -1.069
182 HG LEU 27 HG LEU 27 -0.500 3.730 -1.282
183 HD11 LEU 27 1HD1 LEU 27 0.205 0.758 -1.289
184 HD12 LEU 27 2HD1 LEU 27 0.720 1.965 -0.080
185 HD13 LEU 27 3HD1 LEU 27 1.305 2.080 -1.737
186 HD21 LEU 27 3HD2 LEU 27 -1.823 3.151 -3.307
187 HD22 LEU 27 1HD2 LEU 27 -1.141 1.508 -3.247
188 HD23 LEU 27 2HD2 LEU 27 -0.081 2.903 -3.535
189 H GLN 28 H GLN 28 -3.349 4.544 0.966
190 HA GLN 28 HA GLN 28 -1.391 6.552 1.347
191 HB2 GLN 28 1HB GLN 28 -4.274 6.284 2.289
192 HB3 GLN 28 2HB GLN 28 -3.316 7.740 2.597
193 HG2 GLN 28 1HG GLN 28 -2.929 8.089 0.269
194 HG3 GLN 28 2HG GLN 28 -3.723 6.596 -0.197
195 HE21 GLN 28 1HE2 GLN 28 -4.762 8.596 -1.543
196 HE22 GLN 28 2HE2 GLN 28 -6.271 9.159 -0.839
197 H ALA 29 H ALA 29 -3.110 4.700 3.844
198 HA ALA 29 HA ALA 29 -1.682 5.711 6.088
199 HB1 ALA 29 1HB ALA 29 -3.851 4.542 6.212
200 HB2 ALA 29 2HB ALA 29 -3.062 3.019 5.744
201 HB3 ALA 29 3HB ALA 29 -2.651 3.797 7.284
202 H HIS 30 H HIS 30 -0.590 3.387 3.721
203 HA HIS 30 HA HIS 30 1.736 2.515 5.373
204 HB2 HIS 30 1HB HIS 30 0.552 0.818 4.111
205 HB3 HIS 30 2HB HIS 30 0.706 1.745 2.618
206 HD1 HIS 30 1HD HIS 30 2.901 -0.296 5.035
207 HD2 HIS 30 2HD HIS 30 3.024 1.720 1.348
208 HE1 HIS 30 1HE HIS 30 5.171 -0.828 4.035
209 H LEU 31 H LEU 31 1.061 4.692 2.570
210 HA LEU 31 HA LEU 31 3.795 5.144 1.886
211 HB2 LEU 31 1HB LEU 31 1.364 6.936 1.680
212 HB3 LEU 31 2HB LEU 31 2.922 7.352 0.980
213 HG LEU 31 HG LEU 31 1.324 4.879 0.193
214 HD11 LEU 31 1HD1 LEU 31 1.642 7.542 -1.238
215 HD12 LEU 31 2HD1 LEU 31 0.164 6.968 -0.436
216 HD13 LEU 31 3HD1 LEU 31 0.783 6.110 -1.853
217 HD21 LEU 31 3HD2 LEU 31 2.811 4.842 -1.758
218 HD22 LEU 31 1HD2 LEU 31 3.700 4.570 -0.259
219 HD23 LEU 31 2HD2 LEU 31 3.777 6.161 -1.057
220 H LYS 32 H LYS 32 1.808 6.719 4.408
221 HA LYS 32 HA LYS 32 3.739 8.665 5.189
222 HB2 LYS 32 1HB LYS 32 2.538 8.825 7.300
223 HB3 LYS 32 2HB LYS 32 1.459 8.879 5.908
224 HG2 LYS 32 1HG LYS 32 0.623 6.690 6.317
225 HG3 LYS 32 2HG LYS 32 1.925 6.305 7.461
226 HD2 LYS 32 1HD LYS 32 1.071 7.937 9.068
227 HD3 LYS 32 2HD LYS 32 -0.153 8.484 7.922
228 HE2 LYS 32 1HE LYS 32 -1.100 7.044 9.669
229 HE3 LYS 32 2HE LYS 32 -1.348 6.384 8.056
230 HZ1 LYS 32 3HZ LYS 32 0.393 4.795 8.435
231 HZ2 LYS 32 1HZ LYS 32 -0.607 4.718 9.720
232 HZ3 LYS 32 2HZ LYS 32 0.826 5.481 9.874
233 H VAL 33 H VAL 33 3.789 5.249 5.831
234 HA VAL 33 HA VAL 33 5.524 5.140 8.095
235 HB VAL 33 HB VAL 33 5.308 3.233 5.731
236 HG11 VAL 33 1HG1 VAL 33 6.152 2.685 8.572
237 HG12 VAL 33 2HG1 VAL 33 5.846 1.473 7.296
238 HG13 VAL 33 3HG1 VAL 33 7.181 2.623 7.114
239 HG21 VAL 33 3HG2 VAL 33 3.749 3.165 8.362
240 HG22 VAL 33 1HG2 VAL 33 3.050 3.663 6.813
241 HG23 VAL 33 2HG2 VAL 33 3.624 2.010 7.012
242 H HIS 34 H HIS 34 6.114 5.852 4.698
243 HA HIS 34 HA HIS 34 9.046 5.621 4.973
244 HB2 HIS 34 1HB HIS 34 7.296 6.241 2.569
245 HB3 HIS 34 2HB HIS 34 9.025 5.907 2.545
246 HD1 HIS 34 1HD HIS 34 9.489 3.299 3.915
247 HD2 HIS 34 2HD HIS 34 5.916 4.157 1.858
248 HE1 HIS 34 1HE HIS 34 8.462 1.047 3.342
249 H THR 35 H THR 35 6.749 8.134 5.390
250 HA THR 35 HA THR 35 8.793 10.240 4.763
251 HB THR 35 HB THR 35 6.955 11.772 4.356
252 HG1 THR 35 1HG THR 35 4.862 10.998 4.256
253 HG21 THR 35 3HG2 THR 35 6.574 9.233 2.710
254 HG22 THR 35 1HG2 THR 35 7.867 10.427 2.453
255 HG23 THR 35 2HG2 THR 35 6.172 10.897 2.235
256 H ALA 36 H ALA 36 6.699 9.020 7.322
257 HA ALA 36 HA ALA 36 6.858 11.323 9.017
258 HB1 ALA 36 1HB ALA 36 5.169 9.561 9.277
259 HB2 ALA 36 2HB ALA 36 6.437 8.385 9.694
260 HB3 ALA 36 3HB ALA 36 6.108 9.760 10.769
261 H LEU 37 H LEU 37 8.124 11.726 10.866
262 HA LEU 37 HA LEU 37 10.468 10.192 11.516
263 HB2 LEU 37 1HB LEU 37 12.131 11.755 11.002
264 HB3 LEU 37 2HB LEU 37 11.220 11.544 9.523
265 HG LEU 37 HG LEU 37 11.037 13.936 11.419
266 HD11 LEU 37 1HD1 LEU 37 12.276 13.656 8.652
267 HD12 LEU 37 2HD1 LEU 37 13.167 13.771 10.187
268 HD13 LEU 37 3HD1 LEU 37 12.198 15.142 9.627
269 HD21 LEU 37 3HD2 LEU 37 9.822 15.050 9.531
270 HD22 LEU 37 1HD2 LEU 37 8.898 13.745 10.266
271 HD23 LEU 37 2HD2 LEU 37 9.717 13.477 8.708
272 H ASP 38 H ASP 38 11.521 11.004 13.362
273 HA ASP 38 HA ASP 38 10.202 13.042 15.067
274 HB2 ASP 38 1HB ASP 38 9.076 10.925 15.614
275 HB3 ASP 38 2HB ASP 38 10.628 10.152 15.911
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 1.795 -16.034 -13.473
2 H2 GLY 1 2H GLY 1 1.638 -15.043 -12.178
3 H3 GLY 1 3H GLY 1 1.034 -14.592 -13.632
4 HA2 GLY 1 1HA GLY 1 -0.574 -16.386 -13.595
5 HA3 GLY 1 2HA GLY 1 0.071 -16.858 -12.011
6 H SER 2 H SER 2 -2.136 -16.585 -11.246
7 HA SER 2 HA SER 2 -2.645 -13.859 -10.230
8 HB2 SER 2 1HB SER 2 -3.916 -13.901 -12.326
9 HB3 SER 2 2HB SER 2 -4.702 -15.417 -11.846
10 HG SER 2 HG SER 2 -5.925 -13.441 -11.436
11 H SER 3 H SER 3 -3.843 -13.806 -8.352
12 HA SER 3 HA SER 3 -4.187 -16.299 -6.820
13 HB2 SER 3 1HB SER 3 -4.744 -13.410 -6.060
14 HB3 SER 3 2HB SER 3 -4.766 -14.804 -4.964
15 HG SER 3 HG SER 3 -2.763 -13.682 -4.894
16 H GLY 4 H GLY 4 -6.115 -14.778 -9.096
17 HA2 GLY 4 1HA GLY 4 -8.313 -15.159 -9.700
18 HA3 GLY 4 2HA GLY 4 -8.537 -16.186 -8.283
19 H SER 5 H SER 5 -7.341 -12.954 -7.762
20 HA SER 5 HA SER 5 -9.382 -12.229 -5.954
21 HB2 SER 5 1HB SER 5 -7.415 -10.410 -7.395
22 HB3 SER 5 2HB SER 5 -8.271 -10.057 -5.881
23 HG SER 5 HG SER 5 -6.152 -10.822 -5.488
24 H SER 6 H SER 6 -10.930 -10.536 -5.969
25 HA SER 6 HA SER 6 -12.528 -10.336 -8.366
26 HB2 SER 6 1HB SER 6 -13.986 -8.929 -6.922
27 HB3 SER 6 2HB SER 6 -13.571 -10.496 -6.207
28 HG SER 6 HG SER 6 -13.351 -8.756 -4.707
29 H GLY 7 H GLY 7 -9.884 -8.453 -7.306
30 HA2 GLY 7 1HA GLY 7 -10.091 -6.667 -9.581
31 HA3 GLY 7 2HA GLY 7 -10.278 -5.825 -8.038
32 H ILE 8 H ILE 8 -8.189 -5.089 -9.574
33 HA ILE 8 HA ILE 8 -5.767 -6.584 -8.932
34 HB ILE 8 HB ILE 8 -4.587 -4.896 -10.218
35 HG12 ILE 8 1HG1 ILE 8 -7.307 -3.620 -10.770
36 HG13 ILE 8 2HG1 ILE 8 -6.055 -2.933 -9.731
37 HG21 ILE 8 1HG2 ILE 8 -5.406 -5.629 -12.376
38 HG22 ILE 8 2HG2 ILE 8 -5.599 -6.952 -11.228
39 HG23 ILE 8 3HG2 ILE 8 -7.011 -5.988 -11.709
40 HD11 ILE 8 3HD1 ILE 8 -5.932 -1.854 -11.870
41 HD12 ILE 8 1HD1 ILE 8 -4.494 -2.878 -11.680
42 HD13 ILE 8 2HD1 ILE 8 -5.838 -3.401 -12.723
43 H LEU 9 H LEU 9 -4.069 -5.910 -7.775
44 HA LEU 9 HA LEU 9 -4.617 -4.131 -5.485
45 HB2 LEU 9 1HB LEU 9 -2.479 -6.198 -6.096
46 HB3 LEU 9 2HB LEU 9 -2.283 -5.015 -4.809
47 HG LEU 9 HG LEU 9 -4.380 -5.768 -3.756
48 HD11 LEU 9 1HD1 LEU 9 -5.264 -8.037 -4.317
49 HD12 LEU 9 2HD1 LEU 9 -4.291 -8.018 -5.803
50 HD13 LEU 9 3HD1 LEU 9 -5.608 -6.842 -5.561
51 HD21 LEU 9 3HD2 LEU 9 -2.204 -6.587 -2.994
52 HD22 LEU 9 1HD2 LEU 9 -2.274 -7.918 -4.172
53 HD23 LEU 9 2HD2 LEU 9 -3.433 -7.843 -2.824
54 H LEU 10 H LEU 10 -3.451 -2.422 -4.874
55 HA LEU 10 HA LEU 10 -1.749 -0.966 -6.823
56 HB2 LEU 10 1HB LEU 10 -2.661 -0.151 -4.038
57 HB3 LEU 10 2HB LEU 10 -1.977 0.886 -5.289
58 HG LEU 10 HG LEU 10 -4.729 -0.435 -5.399
59 HD11 LEU 10 1HD1 LEU 10 -5.579 1.831 -5.019
60 HD12 LEU 10 2HD1 LEU 10 -3.918 2.451 -4.872
61 HD13 LEU 10 3HD1 LEU 10 -4.557 1.301 -3.673
62 HD21 LEU 10 3HD2 LEU 10 -5.122 1.090 -7.308
63 HD22 LEU 10 1HD2 LEU 10 -3.811 -0.045 -7.661
64 HD23 LEU 10 2HD2 LEU 10 -3.432 1.639 -7.227
65 H LYS 11 H LYS 11 0.444 -0.367 -6.171
66 HA LYS 11 HA LYS 11 1.554 -1.848 -3.826
67 HB2 LYS 11 1HB LYS 11 2.900 -1.561 -6.539
68 HB3 LYS 11 2HB LYS 11 3.614 -2.216 -5.068
69 HG2 LYS 11 1HG LYS 11 1.409 -3.801 -5.204
70 HG3 LYS 11 2HG LYS 11 1.607 -3.450 -6.919
71 HD2 LYS 11 1HD LYS 11 3.675 -4.671 -5.033
72 HD3 LYS 11 2HD LYS 11 2.756 -5.529 -6.276
73 HE2 LYS 11 1HE LYS 11 3.867 -4.206 -8.045
74 HE3 LYS 11 2HE LYS 11 4.752 -3.284 -6.820
75 HZ1 LYS 11 3HZ LYS 11 5.025 -6.208 -7.252
76 HZ2 LYS 11 1HZ LYS 11 5.828 -5.353 -6.109
77 HZ3 LYS 11 2HZ LYS 11 6.118 -5.078 -7.694
78 H CYS 12 H CYS 12 3.284 -1.039 -2.790
79 HA CYS 12 HA CYS 12 3.497 1.801 -2.493
80 HB2 CYS 12 1HB CYS 12 3.734 0.094 -0.734
81 HB3 CYS 12 2HB CYS 12 5.237 -0.475 -1.493
82 HA PRO 13 HA PRO 13 6.606 2.268 -5.740
83 HB2 PRO 13 1HB PRO 13 6.858 4.951 -5.793
84 HB3 PRO 13 2HB PRO 13 5.293 4.165 -6.165
85 HG2 PRO 13 1HG PRO 13 6.187 5.357 -3.513
86 HG3 PRO 13 2HG PRO 13 4.660 5.664 -4.401
87 HD2 PRO 13 1HD PRO 13 4.899 3.795 -2.383
88 HD3 PRO 13 2HD PRO 13 3.761 3.605 -3.755
89 H THR 14 H THR 14 7.317 2.916 -2.407
90 HA THR 14 HA THR 14 9.802 4.291 -2.708
91 HB THR 14 HB THR 14 8.833 2.662 -0.335
92 HG1 THR 14 1HG THR 14 8.503 5.415 -0.962
93 HG21 THR 14 3HG2 THR 14 11.156 3.295 0.007
94 HG22 THR 14 1HG2 THR 14 10.138 4.355 0.981
95 HG23 THR 14 2HG2 THR 14 10.833 4.960 -0.538
96 H ASP 15 H ASP 15 11.945 3.660 -2.613
97 HA ASP 15 HA ASP 15 12.660 1.184 -3.789
98 HB2 ASP 15 1HB ASP 15 13.999 3.229 -3.968
99 HB3 ASP 15 2HB ASP 15 14.348 3.178 -2.237
100 H GLY 16 H GLY 16 13.298 -0.761 -3.040
101 HA2 GLY 16 1HA GLY 16 13.803 -2.492 -1.600
102 HA3 GLY 16 2HA GLY 16 13.999 -1.342 -0.279
103 H CYS 17 H CYS 17 10.966 -0.678 -1.432
104 HA CYS 17 HA CYS 17 9.593 -2.484 0.490
105 HB2 CYS 17 1HB CYS 17 9.546 0.058 0.667
106 HB3 CYS 17 2HB CYS 17 8.543 0.039 -0.798
107 H ASP 18 H ASP 18 7.786 -3.622 -0.108
108 HA ASP 18 HA ASP 18 6.871 -3.692 -2.906
109 HB2 ASP 18 1HB ASP 18 8.804 -5.314 -2.718
110 HB3 ASP 18 2HB ASP 18 7.840 -6.244 -1.570
111 H TYR 19 H TYR 19 5.790 -2.917 -0.247
112 HA TYR 19 HA TYR 19 3.689 -4.688 0.567
113 HB2 TYR 19 1HB TYR 19 4.397 -2.890 1.987
114 HB3 TYR 19 2HB TYR 19 4.128 -1.696 0.735
115 HD1 TYR 19 1HD TYR 19 1.843 -0.915 0.169
116 HD2 TYR 19 2HD TYR 19 2.522 -3.805 3.303
117 HE1 TYR 19 1HE TYR 19 -0.451 -0.521 1.034
118 HE2 TYR 19 2HE TYR 19 0.214 -3.420 4.151
119 HH TYR 19 HH TYR 19 -1.746 -2.268 3.882
120 H SER 20 H SER 20 1.572 -4.879 -0.061
121 HA SER 20 HA SER 20 0.519 -3.230 -2.260
122 HB2 SER 20 1HB SER 20 -0.227 -5.173 -3.547
123 HB3 SER 20 2HB SER 20 1.542 -5.129 -3.399
124 HG SER 20 HG SER 20 0.756 -7.230 -3.009
125 H THR 21 H THR 21 -1.696 -3.160 -2.495
126 HA THR 21 HA THR 21 -3.517 -4.645 -0.762
127 HB THR 21 HB THR 21 -2.768 -3.034 0.869
128 HG1 THR 21 1HG THR 21 -4.833 -3.253 1.215
129 HG21 THR 21 3HG2 THR 21 -3.628 -0.807 -1.023
130 HG22 THR 21 1HG2 THR 21 -1.944 -1.223 -0.653
131 HG23 THR 21 2HG2 THR 21 -3.010 -0.643 0.631
132 HA PRO 22 HA PRO 22 -6.157 -3.202 -4.147
133 HB2 PRO 22 1HB PRO 22 -8.607 -4.058 -3.364
134 HB3 PRO 22 2HB PRO 22 -7.306 -5.193 -3.838
135 HG2 PRO 22 1HG PRO 22 -8.089 -4.331 -1.033
136 HG3 PRO 22 2HG PRO 22 -7.852 -5.999 -1.649
137 HD2 PRO 22 1HD PRO 22 -5.901 -4.629 -0.319
138 HD3 PRO 22 2HD PRO 22 -5.505 -5.764 -1.631
139 H ASP 23 H ASP 23 -6.132 -1.845 -1.001
140 HA ASP 23 HA ASP 23 -8.319 0.099 -1.589
141 HB2 ASP 23 1HB ASP 23 -8.288 -1.412 0.512
142 HB3 ASP 23 2HB ASP 23 -6.944 -0.453 1.024
143 H LYS 24 H LYS 24 -7.784 2.100 -2.228
144 HA LYS 24 HA LYS 24 -5.130 3.178 -2.243
145 HB2 LYS 24 1HB LYS 24 -6.123 5.204 -3.047
146 HB3 LYS 24 2HB LYS 24 -6.933 3.835 -3.803
147 HG2 LYS 24 1HG LYS 24 -8.834 4.110 -2.156
148 HG3 LYS 24 2HG LYS 24 -7.991 5.502 -1.468
149 HD2 LYS 24 1HD LYS 24 -9.680 6.330 -2.926
150 HD3 LYS 24 2HD LYS 24 -8.112 6.656 -3.675
151 HE2 LYS 24 1HE LYS 24 -8.410 4.672 -5.149
152 HE3 LYS 24 2HE LYS 24 -9.953 4.314 -4.359
153 HZ1 LYS 24 3HZ LYS 24 -9.365 6.781 -5.913
154 HZ2 LYS 24 1HZ LYS 24 -10.791 6.451 -5.185
155 HZ3 LYS 24 2HZ LYS 24 -10.277 5.535 -6.434
156 H TYR 25 H TYR 25 -7.550 3.246 0.310
157 HA TYR 25 HA TYR 25 -6.169 5.418 1.757
158 HB2 TYR 25 1HB TYR 25 -8.532 3.695 2.550
159 HB3 TYR 25 2HB TYR 25 -7.912 5.076 3.442
160 HD1 TYR 25 1HD TYR 25 -7.854 7.378 2.286
161 HD2 TYR 25 2HD TYR 25 -10.111 4.026 0.768
162 HE1 TYR 25 1HE TYR 25 -9.221 8.928 0.895
163 HE2 TYR 25 2HE TYR 25 -11.481 5.581 -0.618
164 HH TYR 25 HH TYR 25 -10.927 9.124 -0.622
165 H LYS 26 H LYS 26 -6.304 1.869 1.868
166 HA LYS 26 HA LYS 26 -4.669 1.629 4.285
167 HB2 LYS 26 1HB LYS 26 -5.071 -0.367 2.029
168 HB3 LYS 26 2HB LYS 26 -4.309 -0.695 3.570
169 HG2 LYS 26 1HG LYS 26 -6.422 -0.110 4.761
170 HG3 LYS 26 2HG LYS 26 -7.223 0.124 3.224
171 HD2 LYS 26 1HD LYS 26 -6.747 -2.285 2.646
172 HD3 LYS 26 2HD LYS 26 -5.934 -2.458 4.205
173 HE2 LYS 26 1HE LYS 26 -8.047 -3.324 4.654
174 HE3 LYS 26 2HE LYS 26 -8.130 -1.683 5.297
175 HZ1 LYS 26 3HZ LYS 26 -10.107 -2.154 4.023
176 HZ2 LYS 26 1HZ LYS 26 -9.261 -2.627 2.714
177 HZ3 LYS 26 2HZ LYS 26 -9.271 -1.052 3.150
178 H LEU 27 H LEU 27 -3.966 1.842 0.783
179 HA LEU 27 HA LEU 27 -1.136 1.634 1.064
180 HB2 LEU 27 1HB LEU 27 -2.353 1.426 -1.085
181 HB3 LEU 27 2HB LEU 27 -2.751 3.145 -1.016
182 HG LEU 27 HG LEU 27 -0.357 3.737 -1.180
183 HD11 LEU 27 1HD1 LEU 27 0.732 1.814 -0.115
184 HD12 LEU 27 2HD1 LEU 27 1.312 1.981 -1.769
185 HD13 LEU 27 3HD1 LEU 27 0.114 0.727 -1.384
186 HD21 LEU 27 3HD2 LEU 27 -0.001 3.029 -3.492
187 HD22 LEU 27 1HD2 LEU 27 -1.709 3.428 -3.235
188 HD23 LEU 27 2HD2 LEU 27 -1.191 1.727 -3.295
189 H GLN 28 H GLN 28 -3.214 4.604 1.080
190 HA GLN 28 HA GLN 28 -1.139 6.488 1.585
191 HB2 GLN 28 1HB GLN 28 -4.091 6.351 2.296
192 HB3 GLN 28 2HB GLN 28 -3.089 7.713 2.817
193 HG2 GLN 28 1HG GLN 28 -2.470 8.263 0.610
194 HG3 GLN 28 2HG GLN 28 -3.188 6.816 -0.087
195 HE21 GLN 28 1HE2 GLN 28 -5.480 6.646 -0.256
196 HE22 GLN 28 2HE2 GLN 28 -6.516 8.077 -0.128
197 H ALA 29 H ALA 29 -3.055 4.625 3.907
198 HA ALA 29 HA ALA 29 -1.703 5.459 6.259
199 HB1 ALA 29 1HB ALA 29 -3.898 4.335 6.231
200 HB2 ALA 29 2HB ALA 29 -3.120 2.820 5.722
201 HB3 ALA 29 3HB ALA 29 -2.758 3.513 7.313
202 H HIS 30 H HIS 30 -0.564 3.182 3.824
203 HA HIS 30 HA HIS 30 1.702 2.309 5.549
204 HB2 HIS 30 1HB HIS 30 0.699 0.625 4.130
205 HB3 HIS 30 2HB HIS 30 0.876 1.641 2.699
206 HD1 HIS 30 1HD HIS 30 3.120 -0.301 5.182
207 HD2 HIS 30 2HD HIS 30 3.206 1.689 1.484
208 HE1 HIS 30 1HE HIS 30 5.444 -0.693 4.247
209 H LEU 31 H LEU 31 1.161 4.472 2.697
210 HA LEU 31 HA LEU 31 3.874 5.019 2.145
211 HB2 LEU 31 1HB LEU 31 1.375 6.700 1.873
212 HB3 LEU 31 2HB LEU 31 2.929 7.254 1.276
213 HG LEU 31 HG LEU 31 1.647 4.654 0.333
214 HD11 LEU 31 1HD1 LEU 31 0.207 6.571 -0.259
215 HD12 LEU 31 2HD1 LEU 31 1.007 5.911 -1.689
216 HD13 LEU 31 3HD1 LEU 31 1.605 7.416 -0.956
217 HD21 LEU 31 3HD2 LEU 31 3.915 6.354 -0.779
218 HD22 LEU 31 1HD2 LEU 31 3.173 4.951 -1.576
219 HD23 LEU 31 2HD2 LEU 31 4.057 4.728 -0.066
220 H LYS 32 H LYS 32 1.805 6.554 4.628
221 HA LYS 32 HA LYS 32 3.674 8.522 5.490
222 HB2 LYS 32 1HB LYS 32 2.469 8.559 7.599
223 HB3 LYS 32 2HB LYS 32 1.388 8.621 6.209
224 HG2 LYS 32 1HG LYS 32 0.632 6.389 6.551
225 HG3 LYS 32 2HG LYS 32 1.946 6.022 7.688
226 HD2 LYS 32 1HD LYS 32 1.033 7.579 9.334
227 HD3 LYS 32 2HD LYS 32 -0.201 8.124 8.197
228 HE2 LYS 32 1HE LYS 32 -1.114 6.617 9.907
229 HE3 LYS 32 2HE LYS 32 -1.345 5.996 8.276
230 HZ1 LYS 32 3HZ LYS 32 -0.566 4.307 9.901
231 HZ2 LYS 32 1HZ LYS 32 0.856 5.094 10.062
232 HZ3 LYS 32 2HZ LYS 32 0.420 4.436 8.610
233 H VAL 33 H VAL 33 3.878 5.090 5.971
234 HA VAL 33 HA VAL 33 5.716 5.130 8.198
235 HB VAL 33 HB VAL 33 4.321 3.172 6.937
236 HG11 VAL 33 1HG1 VAL 33 7.195 2.553 6.125
237 HG12 VAL 33 2HG1 VAL 33 5.752 1.551 5.892
238 HG13 VAL 33 3HG1 VAL 33 5.928 3.058 4.988
239 HG21 VAL 33 3HG2 VAL 33 5.155 3.070 9.191
240 HG22 VAL 33 1HG2 VAL 33 5.462 1.571 8.302
241 HG23 VAL 33 2HG2 VAL 33 6.800 2.719 8.592
242 H HIS 34 H HIS 34 6.082 5.827 4.828
243 HA HIS 34 HA HIS 34 9.056 5.902 4.989
244 HB2 HIS 34 1HB HIS 34 7.218 6.252 2.591
245 HB3 HIS 34 2HB HIS 34 8.968 6.096 2.571
246 HD1 HIS 34 1HD HIS 34 9.712 3.524 3.854
247 HD2 HIS 34 2HD HIS 34 6.032 4.084 1.892
248 HE1 HIS 34 1HE HIS 34 8.916 1.202 3.222
249 H THR 35 H THR 35 6.214 8.010 4.299
250 HA THR 35 HA THR 35 7.974 10.298 3.776
251 HB THR 35 HB THR 35 5.948 11.441 3.054
252 HG1 THR 35 1HG THR 35 3.997 10.342 3.076
253 HG21 THR 35 3HG2 THR 35 6.025 8.605 1.934
254 HG22 THR 35 1HG2 THR 35 7.127 9.918 1.464
255 HG23 THR 35 2HG2 THR 35 5.391 10.060 1.140
256 H ALA 36 H ALA 36 6.358 9.237 6.625
257 HA ALA 36 HA ALA 36 6.570 11.978 7.802
258 HB1 ALA 36 1HB ALA 36 4.555 11.533 9.074
259 HB2 ALA 36 2HB ALA 36 4.217 11.310 7.348
260 HB3 ALA 36 3HB ALA 36 4.439 9.897 8.404
261 H LEU 37 H LEU 37 6.690 11.996 10.175
262 HA LEU 37 HA LEU 37 7.879 9.701 11.537
263 HB2 LEU 37 1HB LEU 37 9.804 10.790 10.388
264 HB3 LEU 37 2HB LEU 37 9.371 12.330 11.124
265 HG LEU 37 HG LEU 37 9.860 11.387 13.382
266 HD11 LEU 37 1HD1 LEU 37 10.807 8.942 11.813
267 HD12 LEU 37 2HD1 LEU 37 9.468 8.982 12.982
268 HD13 LEU 37 3HD1 LEU 37 11.120 9.248 13.537
269 HD21 LEU 37 3HD2 LEU 37 11.590 12.594 12.110
270 HD22 LEU 37 1HD2 LEU 37 12.118 11.069 11.363
271 HD23 LEU 37 2HD2 LEU 37 12.298 11.320 13.115
272 H ASP 38 H ASP 38 7.455 9.757 13.676
273 HA ASP 38 HA ASP 38 6.550 12.204 15.065
274 HB2 ASP 38 1HB ASP 38 4.521 11.303 15.841
275 HB3 ASP 38 2HB ASP 38 4.514 11.101 14.102
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -10.479 -23.913 -5.516
2 H2 GLY 1 2H GLY 1 -11.840 -24.488 -6.224
3 H3 GLY 1 3H GLY 1 -11.626 -22.873 -6.046
4 HA2 GLY 1 1HA GLY 1 -9.988 -24.629 -7.756
5 HA3 GLY 1 2HA GLY 1 -11.247 -23.521 -8.338
6 H SER 2 H SER 2 -8.429 -23.536 -9.044
7 HA SER 2 HA SER 2 -7.038 -21.446 -7.617
8 HB2 SER 2 1HB SER 2 -6.311 -22.811 -10.227
9 HB3 SER 2 2HB SER 2 -5.229 -21.876 -9.176
10 HG SER 2 HG SER 2 -5.050 -24.138 -8.813
11 H SER 3 H SER 3 -9.448 -20.352 -8.608
12 HA SER 3 HA SER 3 -9.097 -18.947 -11.097
13 HB2 SER 3 1HB SER 3 -11.114 -18.444 -8.880
14 HB3 SER 3 2HB SER 3 -11.244 -17.939 -10.577
15 HG SER 3 HG SER 3 -12.422 -19.862 -10.176
16 H GLY 4 H GLY 4 -8.017 -18.138 -7.924
17 HA2 GLY 4 1HA GLY 4 -6.811 -16.307 -7.163
18 HA3 GLY 4 2HA GLY 4 -6.966 -15.542 -8.738
19 H SER 5 H SER 5 -7.102 -13.781 -6.916
20 HA SER 5 HA SER 5 -9.783 -13.339 -5.797
21 HB2 SER 5 1HB SER 5 -8.721 -11.325 -4.799
22 HB3 SER 5 2HB SER 5 -7.932 -12.850 -4.374
23 HG SER 5 HG SER 5 -6.415 -11.227 -4.956
24 H SER 6 H SER 6 -10.966 -11.367 -6.086
25 HA SER 6 HA SER 6 -11.253 -10.570 -8.857
26 HB2 SER 6 1HB SER 6 -12.596 -9.480 -6.359
27 HB3 SER 6 2HB SER 6 -13.091 -9.177 -8.033
28 HG SER 6 HG SER 6 -14.295 -10.882 -7.060
29 H GLY 7 H GLY 7 -10.979 -8.548 -9.807
30 HA2 GLY 7 1HA GLY 7 -10.113 -6.438 -10.189
31 HA3 GLY 7 2HA GLY 7 -10.047 -6.188 -8.448
32 H ILE 8 H ILE 8 -8.089 -5.034 -8.810
33 HA ILE 8 HA ILE 8 -5.660 -6.743 -8.904
34 HB ILE 8 HB ILE 8 -4.431 -5.028 -10.137
35 HG12 ILE 8 1HG1 ILE 8 -7.135 -3.765 -10.780
36 HG13 ILE 8 2HG1 ILE 8 -5.937 -3.083 -9.675
37 HG21 ILE 8 1HG2 ILE 8 -5.396 -7.074 -11.215
38 HG22 ILE 8 2HG2 ILE 8 -6.781 -6.097 -11.750
39 HG23 ILE 8 3HG2 ILE 8 -5.144 -5.732 -12.332
40 HD11 ILE 8 3HD1 ILE 8 -5.581 -3.504 -12.661
41 HD12 ILE 8 1HD1 ILE 8 -5.722 -1.970 -11.788
42 HD13 ILE 8 2HD1 ILE 8 -4.288 -2.989 -11.549
43 H LEU 9 H LEU 9 -3.885 -6.003 -7.713
44 HA LEU 9 HA LEU 9 -4.555 -4.239 -5.450
45 HB2 LEU 9 1HB LEU 9 -2.318 -6.202 -6.037
46 HB3 LEU 9 2HB LEU 9 -2.172 -4.992 -4.769
47 HG LEU 9 HG LEU 9 -4.219 -5.818 -3.691
48 HD11 LEU 9 1HD1 LEU 9 -5.026 -8.124 -4.217
49 HD12 LEU 9 2HD1 LEU 9 -4.067 -8.086 -5.714
50 HD13 LEU 9 3HD1 LEU 9 -5.422 -6.955 -5.472
51 HD21 LEU 9 3HD2 LEU 9 -2.003 -6.547 -2.946
52 HD22 LEU 9 1HD2 LEU 9 -2.044 -7.901 -4.099
53 HD23 LEU 9 2HD2 LEU 9 -3.189 -7.841 -2.739
54 H LEU 10 H LEU 10 -3.482 -2.463 -4.844
55 HA LEU 10 HA LEU 10 -1.881 -0.926 -6.808
56 HB2 LEU 10 1HB LEU 10 -2.798 -0.162 -4.011
57 HB3 LEU 10 2HB LEU 10 -2.161 0.909 -5.258
58 HG LEU 10 HG LEU 10 -4.852 -0.531 -5.360
59 HD11 LEU 10 1HD1 LEU 10 -4.162 2.396 -4.894
60 HD12 LEU 10 2HD1 LEU 10 -4.738 1.243 -3.668
61 HD13 LEU 10 3HD1 LEU 10 -5.795 1.699 -5.015
62 HD21 LEU 10 3HD2 LEU 10 -3.638 1.549 -7.235
63 HD22 LEU 10 1HD2 LEU 10 -5.311 0.948 -7.294
64 HD23 LEU 10 2HD2 LEU 10 -3.969 -0.154 -7.632
65 H LYS 11 H LYS 11 0.239 -0.141 -6.171
66 HA LYS 11 HA LYS 11 1.648 -1.837 -4.130
67 HB2 LYS 11 1HB LYS 11 2.608 -1.073 -6.916
68 HB3 LYS 11 2HB LYS 11 3.574 -1.889 -5.681
69 HG2 LYS 11 1HG LYS 11 1.959 -3.788 -5.674
70 HG3 LYS 11 2HG LYS 11 1.037 -2.997 -6.967
71 HD2 LYS 11 1HD LYS 11 3.035 -3.071 -8.438
72 HD3 LYS 11 2HD LYS 11 3.951 -3.881 -7.147
73 HE2 LYS 11 1HE LYS 11 2.313 -5.753 -7.167
74 HE3 LYS 11 2HE LYS 11 1.401 -4.944 -8.449
75 HZ1 LYS 11 3HZ LYS 11 4.210 -5.894 -8.697
76 HZ2 LYS 11 1HZ LYS 11 3.367 -5.147 -9.882
77 HZ3 LYS 11 2HZ LYS 11 2.908 -6.622 -9.356
78 H CYS 12 H CYS 12 3.296 -0.987 -2.995
79 HA CYS 12 HA CYS 12 3.400 1.854 -2.573
80 HB2 CYS 12 1HB CYS 12 3.694 0.072 -0.879
81 HB3 CYS 12 2HB CYS 12 5.240 -0.371 -1.634
82 HA PRO 13 HA PRO 13 6.339 2.574 -5.887
83 HB2 PRO 13 1HB PRO 13 6.758 5.243 -5.656
84 HB3 PRO 13 2HB PRO 13 5.151 4.569 -6.071
85 HG2 PRO 13 1HG PRO 13 6.155 5.415 -3.327
86 HG3 PRO 13 2HG PRO 13 4.627 5.895 -4.139
87 HD2 PRO 13 1HD PRO 13 4.757 3.832 -2.349
88 HD3 PRO 13 2HD PRO 13 3.656 3.787 -3.760
89 H THR 14 H THR 14 7.306 2.858 -2.568
90 HA THR 14 HA THR 14 9.939 3.946 -2.943
91 HB THR 14 HB THR 14 8.785 2.316 -0.661
92 HG1 THR 14 1HG THR 14 8.528 4.364 0.238
93 HG21 THR 14 3HG2 THR 14 11.306 4.033 -0.796
94 HG22 THR 14 1HG2 THR 14 11.218 2.290 -0.440
95 HG23 THR 14 2HG2 THR 14 10.559 3.455 0.708
96 H ASP 15 H ASP 15 11.852 3.038 -3.475
97 HA ASP 15 HA ASP 15 11.872 0.570 -4.837
98 HB2 ASP 15 1HB ASP 15 13.307 2.524 -5.314
99 HB3 ASP 15 2HB ASP 15 14.198 2.244 -3.817
100 H GLY 16 H GLY 16 12.881 1.256 -1.508
101 HA2 GLY 16 1HA GLY 16 14.000 -1.408 -1.009
102 HA3 GLY 16 2HA GLY 16 13.742 -0.117 0.163
103 H CYS 17 H CYS 17 10.820 -0.520 -1.414
104 HA CYS 17 HA CYS 17 9.687 -2.061 0.862
105 HB2 CYS 17 1HB CYS 17 9.160 0.371 0.337
106 HB3 CYS 17 2HB CYS 17 8.247 -0.236 -1.057
107 H ASP 18 H ASP 18 7.730 -3.239 0.389
108 HA ASP 18 HA ASP 18 7.594 -4.683 -2.210
109 HB2 ASP 18 1HB ASP 18 9.226 -5.848 -0.664
110 HB3 ASP 18 2HB ASP 18 7.894 -6.118 0.456
111 H TYR 19 H TYR 19 5.912 -2.920 -0.129
112 HA TYR 19 HA TYR 19 3.692 -4.604 0.602
113 HB2 TYR 19 1HB TYR 19 4.448 -2.768 1.976
114 HB3 TYR 19 2HB TYR 19 4.157 -1.617 0.692
115 HD1 TYR 19 2HD TYR 19 2.590 -3.813 3.232
116 HD2 TYR 19 1HD TYR 19 1.857 -0.816 0.209
117 HE1 TYR 19 2HE TYR 19 0.305 -3.428 4.154
118 HE2 TYR 19 1HE TYR 19 -0.392 -0.416 1.151
119 HH TYR 19 HH TYR 19 -1.868 -0.906 2.852
120 H SER 20 H SER 20 1.680 -4.807 -0.180
121 HA SER 20 HA SER 20 0.655 -3.066 -2.295
122 HB2 SER 20 1HB SER 20 -0.107 -4.966 -3.693
123 HB3 SER 20 2HB SER 20 1.661 -4.820 -3.625
124 HG SER 20 HG SER 20 1.020 -6.987 -3.353
125 H THR 21 H THR 21 -1.608 -3.088 -2.534
126 HA THR 21 HA THR 21 -3.314 -4.658 -0.742
127 HB THR 21 HB THR 21 -2.533 -3.040 0.852
128 HG1 THR 21 1HG THR 21 -4.450 -2.325 1.507
129 HG21 THR 21 3HG2 THR 21 -1.829 -1.185 -0.657
130 HG22 THR 21 1HG2 THR 21 -2.900 -0.637 0.641
131 HG23 THR 21 2HG2 THR 21 -3.534 -0.838 -1.003
132 HA PRO 22 HA PRO 22 -6.099 -3.476 -4.057
133 HB2 PRO 22 1HB PRO 22 -8.507 -4.359 -3.154
134 HB3 PRO 22 2HB PRO 22 -7.177 -5.472 -3.599
135 HG2 PRO 22 1HG PRO 22 -7.898 -4.457 -0.826
136 HG3 PRO 22 2HG PRO 22 -7.644 -6.156 -1.345
137 HD2 PRO 22 1HD PRO 22 -5.669 -4.705 -0.176
138 HD3 PRO 22 2HD PRO 22 -5.304 -5.854 -1.488
139 H ASP 23 H ASP 23 -6.107 -1.863 -1.032
140 HA ASP 23 HA ASP 23 -8.320 -0.017 -1.851
141 HB2 ASP 23 1HB ASP 23 -8.529 -1.413 0.316
142 HB3 ASP 23 2HB ASP 23 -7.211 -0.463 0.897
143 H LYS 24 H LYS 24 -7.931 2.092 -2.213
144 HA LYS 24 HA LYS 24 -5.240 3.120 -2.253
145 HB2 LYS 24 1HB LYS 24 -6.185 5.130 -3.138
146 HB3 LYS 24 2HB LYS 24 -6.980 3.748 -3.886
147 HG2 LYS 24 1HG LYS 24 -8.946 4.070 -2.370
148 HG3 LYS 24 2HG LYS 24 -8.137 5.471 -1.636
149 HD2 LYS 24 1HD LYS 24 -8.070 6.598 -3.833
150 HD3 LYS 24 2HD LYS 24 -8.901 5.206 -4.571
151 HE2 LYS 24 1HE LYS 24 -10.832 5.574 -3.042
152 HE3 LYS 24 2HE LYS 24 -9.995 6.967 -2.338
153 HZ1 LYS 24 3HZ LYS 24 -10.058 8.032 -4.528
154 HZ2 LYS 24 1HZ LYS 24 -11.571 7.665 -4.042
155 HZ3 LYS 24 2HZ LYS 24 -10.840 6.751 -5.179
156 H TYR 25 H TYR 25 -7.649 3.269 0.286
157 HA TYR 25 HA TYR 25 -6.248 5.481 1.671
158 HB2 TYR 25 1HB TYR 25 -8.592 3.805 2.609
159 HB3 TYR 25 2HB TYR 25 -7.961 5.258 3.352
160 HD1 TYR 25 2HD TYR 25 -8.051 7.472 2.034
161 HD2 TYR 25 1HD TYR 25 -10.227 3.937 0.858
162 HE1 TYR 25 2HE TYR 25 -9.637 8.880 0.717
163 HE2 TYR 25 1HE TYR 25 -11.828 5.344 -0.423
164 HH TYR 25 HH TYR 25 -12.447 7.477 -1.009
165 H LYS 26 H LYS 26 -6.639 1.919 1.894
166 HA LYS 26 HA LYS 26 -4.943 1.528 4.195
167 HB2 LYS 26 1HB LYS 26 -5.321 -0.304 1.830
168 HB3 LYS 26 2HB LYS 26 -4.534 -0.712 3.345
169 HG2 LYS 26 1HG LYS 26 -6.657 -0.140 4.588
170 HG3 LYS 26 2HG LYS 26 -7.454 0.120 3.056
171 HD2 LYS 26 1HD LYS 26 -8.015 -2.051 3.777
172 HD3 LYS 26 2HD LYS 26 -6.878 -2.255 2.430
173 HE2 LYS 26 1HE LYS 26 -5.038 -2.650 4.070
174 HE3 LYS 26 2HE LYS 26 -6.180 -2.425 5.399
175 HZ1 LYS 26 3HZ LYS 26 -6.344 -4.583 3.362
176 HZ2 LYS 26 1HZ LYS 26 -7.400 -4.375 4.593
177 HZ3 LYS 26 2HZ LYS 26 -5.851 -4.777 4.904
178 H LEU 27 H LEU 27 -4.150 1.927 0.720
179 HA LEU 27 HA LEU 27 -1.319 1.633 1.060
180 HB2 LEU 27 1HB LEU 27 -2.465 1.439 -1.106
181 HB3 LEU 27 2HB LEU 27 -2.872 3.155 -1.055
182 HG LEU 27 HG LEU 27 -0.496 3.767 -1.193
183 HD11 LEU 27 1HD1 LEU 27 1.225 2.031 -1.688
184 HD12 LEU 27 2HD1 LEU 27 0.042 0.762 -1.303
185 HD13 LEU 27 3HD1 LEU 27 0.605 1.896 -0.047
186 HD21 LEU 27 3HD2 LEU 27 -1.791 3.368 -3.272
187 HD22 LEU 27 1HD2 LEU 27 -1.224 1.681 -3.273
188 HD23 LEU 27 2HD2 LEU 27 -0.066 3.011 -3.472
189 H GLN 28 H GLN 28 -3.330 4.654 1.004
190 HA GLN 28 HA GLN 28 -1.223 6.489 1.518
191 HB2 GLN 28 1HB GLN 28 -4.184 6.440 2.209
192 HB3 GLN 28 2HB GLN 28 -3.152 7.798 2.682
193 HG2 GLN 28 1HG GLN 28 -2.510 8.243 0.454
194 HG3 GLN 28 2HG GLN 28 -3.271 6.794 -0.188
195 HE21 GLN 28 1HE2 GLN 28 -5.566 6.688 -0.368
196 HE22 GLN 28 2HE2 GLN 28 -6.555 8.156 -0.296
197 H ALA 29 H ALA 29 -3.183 4.684 3.827
198 HA ALA 29 HA ALA 29 -1.872 5.513 6.215
199 HB1 ALA 29 1HB ALA 29 -3.303 2.891 5.613
200 HB2 ALA 29 2HB ALA 29 -2.964 3.555 7.224
201 HB3 ALA 29 3HB ALA 29 -4.075 4.407 6.135
202 H HIS 30 H HIS 30 -0.647 3.338 3.756
203 HA HIS 30 HA HIS 30 1.578 2.435 5.542
204 HB2 HIS 30 1HB HIS 30 0.594 0.695 4.198
205 HB3 HIS 30 2HB HIS 30 0.718 1.664 2.731
206 HD1 HIS 30 1HD HIS 30 3.016 -0.257 5.161
207 HD2 HIS 30 2HD HIS 30 3.046 1.795 1.494
208 HE1 HIS 30 1HE HIS 30 5.326 -0.632 4.183
209 H LEU 31 H LEU 31 1.038 4.520 2.628
210 HA LEU 31 HA LEU 31 3.738 4.995 1.998
211 HB2 LEU 31 1HB LEU 31 1.340 6.843 1.819
212 HB3 LEU 31 2HB LEU 31 2.896 7.222 1.099
213 HG LEU 31 HG LEU 31 1.210 4.810 0.319
214 HD11 LEU 31 1HD1 LEU 31 0.141 6.955 -0.305
215 HD12 LEU 31 2HD1 LEU 31 0.718 6.070 -1.724
216 HD13 LEU 31 3HD1 LEU 31 1.641 7.460 -1.112
217 HD21 LEU 31 3HD2 LEU 31 3.701 5.994 -0.949
218 HD22 LEU 31 1HD2 LEU 31 2.685 4.702 -1.631
219 HD23 LEU 31 2HD2 LEU 31 3.576 4.414 -0.138
220 H LYS 32 H LYS 32 1.802 6.605 4.511
221 HA LYS 32 HA LYS 32 3.691 8.579 5.290
222 HB2 LYS 32 1HB LYS 32 2.463 8.757 7.340
223 HB3 LYS 32 2HB LYS 32 1.340 8.559 5.994
224 HG2 LYS 32 1HG LYS 32 1.029 6.171 6.599
225 HG3 LYS 32 2HG LYS 32 2.174 6.358 7.943
226 HD2 LYS 32 1HD LYS 32 0.690 8.116 8.926
227 HD3 LYS 32 2HD LYS 32 -0.486 7.812 7.629
228 HE2 LYS 32 1HE LYS 32 -0.682 5.448 8.361
229 HE3 LYS 32 2HE LYS 32 0.525 5.726 9.619
230 HZ1 LYS 32 3HZ LYS 32 -0.997 7.329 10.645
231 HZ2 LYS 32 1HZ LYS 32 -1.729 5.878 10.509
232 HZ3 LYS 32 2HZ LYS 32 -2.118 7.084 9.481
233 H VAL 33 H VAL 33 3.856 5.150 5.864
234 HA VAL 33 HA VAL 33 5.615 5.193 8.131
235 HB VAL 33 HB VAL 33 4.242 3.249 6.885
236 HG11 VAL 33 1HG1 VAL 33 5.642 1.610 5.822
237 HG12 VAL 33 2HG1 VAL 33 5.818 3.118 4.919
238 HG13 VAL 33 3HG1 VAL 33 7.097 2.596 6.034
239 HG21 VAL 33 3HG2 VAL 33 5.100 3.128 9.134
240 HG22 VAL 33 1HG2 VAL 33 5.366 1.626 8.238
241 HG23 VAL 33 2HG2 VAL 33 6.730 2.744 8.517
242 H HIS 34 H HIS 34 6.183 5.826 4.751
243 HA HIS 34 HA HIS 34 9.117 5.603 4.992
244 HB2 HIS 34 1HB HIS 34 7.320 6.312 2.642
245 HB3 HIS 34 2HB HIS 34 9.062 6.071 2.570
246 HD1 HIS 34 1HD HIS 34 9.815 3.444 3.513
247 HD2 HIS 34 2HD HIS 34 5.946 4.177 2.030
248 HE1 HIS 34 1HE HIS 34 8.890 1.173 2.860
249 H THR 35 H THR 35 6.839 8.075 5.594
250 HA THR 35 HA THR 35 8.869 10.226 5.066
251 HB THR 35 HB THR 35 6.984 11.752 4.703
252 HG1 THR 35 1HG THR 35 4.931 10.891 4.434
253 HG21 THR 35 3HG2 THR 35 8.039 10.578 2.760
254 HG22 THR 35 1HG2 THR 35 6.337 10.991 2.489
255 HG23 THR 35 2HG2 THR 35 6.790 9.317 2.874
256 H ALA 36 H ALA 36 6.275 9.207 7.318
257 HA ALA 36 HA ALA 36 7.109 11.250 9.282
258 HB1 ALA 36 1HB ALA 36 5.123 10.506 10.496
259 HB2 ALA 36 2HB ALA 36 4.717 10.841 8.800
260 HB3 ALA 36 3HB ALA 36 4.895 9.161 9.359
261 H LEU 37 H LEU 37 7.571 7.876 8.694
262 HA LEU 37 HA LEU 37 8.720 6.195 9.597
263 HB2 LEU 37 1HB LEU 37 10.278 8.538 10.689
264 HB3 LEU 37 2HB LEU 37 10.734 6.908 11.097
265 HG LEU 37 HG LEU 37 12.062 7.841 9.284
266 HD11 LEU 37 1HD1 LEU 37 11.770 5.397 9.480
267 HD12 LEU 37 2HD1 LEU 37 12.036 5.919 7.809
268 HD13 LEU 37 3HD1 LEU 37 10.408 5.469 8.344
269 HD21 LEU 37 3HD2 LEU 37 10.316 9.188 8.137
270 HD22 LEU 37 1HD2 LEU 37 9.602 7.676 7.514
271 HD23 LEU 37 2HD2 LEU 37 11.243 8.150 7.041
272 H ASP 38 H ASP 38 7.174 8.154 11.996
273 HA ASP 38 HA ASP 38 6.814 5.764 13.740
274 HB2 ASP 38 1HB ASP 38 8.683 7.063 14.671
275 HB3 ASP 38 2HB ASP 38 7.699 8.522 14.676
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -7.743 -23.421 -11.413
2 H2 GLY 1 2H GLY 1 -6.268 -23.703 -10.760
3 H3 GLY 1 3H GLY 1 -6.397 -23.236 -12.325
4 HA2 GLY 1 1HA GLY 1 -7.102 -21.594 -9.977
5 HA3 GLY 1 2HA GLY 1 -5.652 -21.389 -10.978
6 H SER 2 H SER 2 -6.508 -19.169 -11.180
7 HA SER 2 HA SER 2 -8.079 -18.864 -13.652
8 HB2 SER 2 1HB SER 2 -9.711 -18.802 -11.699
9 HB3 SER 2 2HB SER 2 -8.892 -17.321 -11.162
10 HG SER 2 HG SER 2 -10.725 -16.918 -12.522
11 H SER 3 H SER 3 -8.016 -16.609 -14.443
12 HA SER 3 HA SER 3 -5.656 -14.998 -13.604
13 HB2 SER 3 1HB SER 3 -6.081 -16.033 -16.438
14 HB3 SER 3 2HB SER 3 -4.821 -14.904 -15.921
15 HG SER 3 HG SER 3 -3.978 -16.564 -14.571
16 H GLY 4 H GLY 4 -5.631 -12.847 -14.419
17 HA2 GLY 4 1HA GLY 4 -6.496 -10.859 -15.197
18 HA3 GLY 4 2HA GLY 4 -7.692 -11.763 -16.128
19 H SER 5 H SER 5 -7.584 -12.269 -12.669
20 HA SER 5 HA SER 5 -10.298 -11.692 -12.252
21 HB2 SER 5 1HB SER 5 -8.082 -11.746 -10.173
22 HB3 SER 5 2HB SER 5 -9.815 -11.985 -9.882
23 HG SER 5 HG SER 5 -8.683 -13.978 -10.041
24 H SER 6 H SER 6 -11.439 -10.083 -11.200
25 HA SER 6 HA SER 6 -10.620 -7.360 -11.490
26 HB2 SER 6 1HB SER 6 -12.893 -8.527 -9.837
27 HB3 SER 6 2HB SER 6 -12.733 -6.839 -10.358
28 HG SER 6 HG SER 6 -14.104 -8.054 -11.750
29 H GLY 7 H GLY 7 -10.537 -5.705 -9.798
30 HA2 GLY 7 1HA GLY 7 -9.921 -4.800 -7.767
31 HA3 GLY 7 2HA GLY 7 -10.111 -6.384 -7.015
32 H ILE 8 H ILE 8 -7.901 -5.536 -9.685
33 HA ILE 8 HA ILE 8 -5.649 -6.867 -8.652
34 HB ILE 8 HB ILE 8 -5.767 -4.615 -10.697
35 HG12 ILE 8 1HG1 ILE 8 -5.829 -7.652 -11.059
36 HG13 ILE 8 2HG1 ILE 8 -7.202 -6.568 -11.275
37 HG21 ILE 8 1HG2 ILE 8 -3.582 -6.696 -10.201
38 HG22 ILE 8 2HG2 ILE 8 -3.594 -5.490 -11.505
39 HG23 ILE 8 3HG2 ILE 8 -3.455 -4.956 -9.847
40 HD11 ILE 8 3HD1 ILE 8 -4.732 -6.693 -13.028
41 HD12 ILE 8 1HD1 ILE 8 -6.399 -7.112 -13.439
42 HD13 ILE 8 2HD1 ILE 8 -5.973 -5.416 -13.134
43 H LEU 9 H LEU 9 -4.057 -6.348 -7.377
44 HA LEU 9 HA LEU 9 -4.400 -4.280 -5.448
45 HB2 LEU 9 1HB LEU 9 -2.194 -6.308 -5.953
46 HB3 LEU 9 2HB LEU 9 -2.061 -5.079 -4.704
47 HG LEU 9 HG LEU 9 -4.115 -5.887 -3.619
48 HD11 LEU 9 1HD1 LEU 9 -4.936 -8.186 -4.140
49 HD12 LEU 9 2HD1 LEU 9 -3.967 -8.172 -5.631
50 HD13 LEU 9 3HD1 LEU 9 -5.315 -7.025 -5.406
51 HD21 LEU 9 3HD2 LEU 9 -1.955 -7.988 -4.020
52 HD22 LEU 9 1HD2 LEU 9 -3.100 -7.912 -2.662
53 HD23 LEU 9 2HD2 LEU 9 -1.903 -6.631 -2.874
54 H LEU 10 H LEU 10 -3.283 -2.527 -4.889
55 HA LEU 10 HA LEU 10 -1.588 -1.097 -6.856
56 HB2 LEU 10 1HB LEU 10 -2.567 -0.243 -4.099
57 HB3 LEU 10 2HB LEU 10 -1.871 0.793 -5.342
58 HG LEU 10 HG LEU 10 -4.592 -0.584 -5.525
59 HD11 LEU 10 1HD1 LEU 10 -5.501 1.664 -5.166
60 HD12 LEU 10 2HD1 LEU 10 -3.857 2.316 -4.962
61 HD13 LEU 10 3HD1 LEU 10 -4.515 1.150 -3.788
62 HD21 LEU 10 3HD2 LEU 10 -3.613 -0.169 -7.754
63 HD22 LEU 10 1HD2 LEU 10 -3.285 1.522 -7.305
64 HD23 LEU 10 2HD2 LEU 10 -4.959 0.936 -7.439
65 H LYS 11 H LYS 11 0.484 -0.305 -6.232
66 HA LYS 11 HA LYS 11 1.875 -1.926 -4.138
67 HB2 LYS 11 1HB LYS 11 2.181 -2.089 -6.916
68 HB3 LYS 11 2HB LYS 11 3.520 -1.059 -6.454
69 HG2 LYS 11 1HG LYS 11 2.872 -3.702 -5.097
70 HG3 LYS 11 2HG LYS 11 3.850 -3.626 -6.550
71 HD2 LYS 11 1HD LYS 11 4.623 -2.134 -4.010
72 HD3 LYS 11 2HD LYS 11 5.132 -3.786 -4.342
73 HE2 LYS 11 1HE LYS 11 6.407 -3.170 -6.238
74 HE3 LYS 11 2HE LYS 11 5.635 -1.586 -6.369
75 HZ1 LYS 11 3HZ LYS 11 6.755 -0.840 -4.436
76 HZ2 LYS 11 1HZ LYS 11 7.898 -1.512 -5.385
77 HZ3 LYS 11 2HZ LYS 11 7.365 -2.307 -4.053
78 H CYS 12 H CYS 12 3.320 -0.981 -2.835
79 HA CYS 12 HA CYS 12 3.392 1.807 -2.365
80 HB2 CYS 12 1HB CYS 12 3.869 0.016 -0.764
81 HB3 CYS 12 2HB CYS 12 5.355 -0.393 -1.646
82 HA PRO 13 HA PRO 13 6.246 2.890 -5.698
83 HB2 PRO 13 1HB PRO 13 6.407 5.575 -5.350
84 HB3 PRO 13 2HB PRO 13 4.880 4.781 -5.838
85 HG2 PRO 13 1HG PRO 13 5.733 5.592 -3.033
86 HG3 PRO 13 2HG PRO 13 4.193 5.976 -3.871
87 HD2 PRO 13 1HD PRO 13 4.457 3.847 -2.165
88 HD3 PRO 13 2HD PRO 13 3.392 3.780 -3.603
89 H THR 14 H THR 14 7.077 2.842 -2.398
90 HA THR 14 HA THR 14 9.576 4.327 -2.540
91 HB THR 14 HB THR 14 8.633 2.433 -0.364
92 HG1 THR 14 1HG THR 14 7.151 4.031 -0.568
93 HG21 THR 14 3HG2 THR 14 11.007 2.975 -0.098
94 HG22 THR 14 1HG2 THR 14 10.061 3.882 1.085
95 HG23 THR 14 2HG2 THR 14 10.672 4.704 -0.365
96 H ASP 15 H ASP 15 11.653 3.616 -2.777
97 HA ASP 15 HA ASP 15 12.140 1.239 -4.238
98 HB2 ASP 15 1HB ASP 15 13.536 3.244 -4.386
99 HB3 ASP 15 2HB ASP 15 14.060 3.036 -2.714
100 H GLY 16 H GLY 16 12.603 -0.799 -3.712
101 HA2 GLY 16 1HA GLY 16 13.180 -2.682 -2.526
102 HA3 GLY 16 2HA GLY 16 13.766 -1.667 -1.210
103 H CYS 17 H CYS 17 10.606 -0.676 -1.614
104 HA CYS 17 HA CYS 17 9.650 -2.363 0.604
105 HB2 CYS 17 1HB CYS 17 9.518 0.110 0.646
106 HB3 CYS 17 2HB CYS 17 8.373 0.053 -0.702
107 H ASP 18 H ASP 18 8.344 -4.019 0.392
108 HA ASP 18 HA ASP 18 7.412 -4.818 -2.300
109 HB2 ASP 18 1HB ASP 18 7.519 -7.046 -1.528
110 HB3 ASP 18 2HB ASP 18 8.992 -6.246 -1.006
111 H TYR 19 H TYR 19 5.956 -3.214 0.148
112 HA TYR 19 HA TYR 19 3.618 -4.701 0.743
113 HB2 TYR 19 1HB TYR 19 4.386 -2.855 2.100
114 HB3 TYR 19 2HB TYR 19 4.171 -1.728 0.771
115 HD1 TYR 19 2HD TYR 19 2.424 -3.798 3.308
116 HD2 TYR 19 1HD TYR 19 1.947 -0.853 0.186
117 HE1 TYR 19 2HE TYR 19 0.105 -3.339 4.087
118 HE2 TYR 19 1HE TYR 19 -0.345 -0.372 0.998
119 HH TYR 19 HH TYR 19 -1.793 -2.100 3.782
120 H SER 20 H SER 20 1.649 -4.901 -0.099
121 HA SER 20 HA SER 20 0.701 -3.149 -2.230
122 HB2 SER 20 1HB SER 20 -0.017 -5.030 -3.681
123 HB3 SER 20 2HB SER 20 1.740 -4.876 -3.565
124 HG SER 20 HG SER 20 1.786 -6.609 -2.138
125 H THR 21 H THR 21 -1.537 -3.135 -2.537
126 HA THR 21 HA THR 21 -3.323 -4.699 -0.808
127 HB THR 21 HB THR 21 -2.572 -3.084 0.805
128 HG1 THR 21 1HG THR 21 -4.505 -2.327 1.391
129 HG21 THR 21 3HG2 THR 21 -3.513 -0.867 -1.068
130 HG22 THR 21 1HG2 THR 21 -1.815 -1.238 -0.704
131 HG23 THR 21 2HG2 THR 21 -2.893 -0.680 0.584
132 HA PRO 22 HA PRO 22 -6.041 -3.365 -4.167
133 HB2 PRO 22 1HB PRO 22 -8.454 -4.279 -3.339
134 HB3 PRO 22 2HB PRO 22 -7.129 -5.389 -3.806
135 HG2 PRO 22 1HG PRO 22 -7.899 -4.490 -1.008
136 HG3 PRO 22 2HG PRO 22 -7.635 -6.164 -1.594
137 HD2 PRO 22 1HD PRO 22 -5.693 -4.730 -0.321
138 HD3 PRO 22 2HD PRO 22 -5.296 -5.881 -1.619
139 H ASP 23 H ASP 23 -6.043 -2.037 -1.009
140 HA ASP 23 HA ASP 23 -8.271 -0.128 -1.548
141 HB2 ASP 23 1HB ASP 23 -6.938 -1.223 0.912
142 HB3 ASP 23 2HB ASP 23 -7.903 0.237 1.005
143 H LYS 24 H LYS 24 -7.762 1.775 -2.291
144 HA LYS 24 HA LYS 24 -5.278 3.080 -2.423
145 HB2 LYS 24 1HB LYS 24 -7.196 3.613 -3.780
146 HB3 LYS 24 2HB LYS 24 -8.147 4.123 -2.399
147 HG2 LYS 24 1HG LYS 24 -5.608 5.582 -3.251
148 HG3 LYS 24 2HG LYS 24 -7.185 5.876 -3.979
149 HD2 LYS 24 1HD LYS 24 -8.045 6.317 -1.559
150 HD3 LYS 24 2HD LYS 24 -6.339 6.436 -1.124
151 HE2 LYS 24 1HE LYS 24 -7.027 8.644 -1.502
152 HE3 LYS 24 2HE LYS 24 -6.074 8.199 -2.921
153 HZ1 LYS 24 3HZ LYS 24 -8.141 9.343 -3.524
154 HZ2 LYS 24 1HZ LYS 24 -9.051 8.209 -2.787
155 HZ3 LYS 24 2HZ LYS 24 -8.178 7.827 -4.116
156 H TYR 25 H TYR 25 -7.788 3.549 0.090
157 HA TYR 25 HA TYR 25 -6.238 5.507 1.523
158 HB2 TYR 25 1HB TYR 25 -8.646 3.869 2.376
159 HB3 TYR 25 2HB TYR 25 -7.977 5.230 3.272
160 HD1 TYR 25 1HD TYR 25 -7.849 7.524 2.167
161 HD2 TYR 25 2HD TYR 25 -10.164 4.267 0.530
162 HE1 TYR 25 1HE TYR 25 -9.101 9.133 0.740
163 HE2 TYR 25 2HE TYR 25 -11.403 5.881 -0.912
164 HH TYR 25 HH TYR 25 -10.746 9.405 -0.835
165 H LYS 26 H LYS 26 -6.337 1.981 1.774
166 HA LYS 26 HA LYS 26 -4.747 1.860 4.237
167 HB2 LYS 26 1HB LYS 26 -5.289 -0.219 2.086
168 HB3 LYS 26 2HB LYS 26 -4.409 -0.522 3.577
169 HG2 LYS 26 1HG LYS 26 -6.418 0.182 4.906
170 HG3 LYS 26 2HG LYS 26 -7.315 0.357 3.388
171 HD2 LYS 26 1HD LYS 26 -6.752 -2.087 2.905
172 HD3 LYS 26 2HD LYS 26 -6.127 -2.207 4.549
173 HE2 LYS 26 1HE LYS 26 -8.253 -1.878 5.526
174 HE3 LYS 26 2HE LYS 26 -8.898 -1.082 4.083
175 HZ1 LYS 26 3HZ LYS 26 -8.901 -3.160 2.919
176 HZ2 LYS 26 1HZ LYS 26 -9.751 -3.348 4.306
177 HZ3 LYS 26 2HZ LYS 26 -8.240 -3.970 4.193
178 H LEU 27 H LEU 27 -3.998 1.876 0.731
179 HA LEU 27 HA LEU 27 -1.167 1.661 1.081
180 HB2 LEU 27 1HB LEU 27 -2.306 1.341 -1.082
181 HB3 LEU 27 2HB LEU 27 -2.744 3.044 -1.119
182 HG LEU 27 HG LEU 27 -0.375 3.699 -1.256
183 HD11 LEU 27 1HD1 LEU 27 0.738 1.872 -0.049
184 HD12 LEU 27 2HD1 LEU 27 1.357 1.975 -1.691
185 HD13 LEU 27 3HD1 LEU 27 0.194 0.699 -1.279
186 HD21 LEU 27 3HD2 LEU 27 -1.667 3.217 -3.320
187 HD22 LEU 27 1HD2 LEU 27 -1.085 1.536 -3.265
188 HD23 LEU 27 2HD2 LEU 27 0.063 2.870 -3.511
189 H GLN 28 H GLN 28 -3.250 4.619 0.904
190 HA GLN 28 HA GLN 28 -1.178 6.524 1.344
191 HB2 GLN 28 1HB GLN 28 -4.102 6.496 2.189
192 HB3 GLN 28 2HB GLN 28 -3.066 7.895 2.407
193 HG2 GLN 28 1HG GLN 28 -3.582 6.581 -0.299
194 HG3 GLN 28 2HG GLN 28 -4.506 7.924 0.354
195 HE21 GLN 28 1HE2 GLN 28 -3.136 8.124 -2.132
196 HE22 GLN 28 2HE2 GLN 28 -1.830 9.281 -1.914
197 H ALA 29 H ALA 29 -3.103 4.736 3.778
198 HA ALA 29 HA ALA 29 -1.710 5.716 6.067
199 HB1 ALA 29 1HB ALA 29 -2.788 3.846 7.231
200 HB2 ALA 29 2HB ALA 29 -3.926 4.632 6.122
201 HB3 ALA 29 3HB ALA 29 -3.182 3.079 5.682
202 H HIS 30 H HIS 30 -0.543 3.499 3.675
203 HA HIS 30 HA HIS 30 1.719 2.571 5.403
204 HB2 HIS 30 1HB HIS 30 0.575 0.879 4.105
205 HB3 HIS 30 2HB HIS 30 0.770 1.802 2.620
206 HD1 HIS 30 1HD HIS 30 2.874 -0.290 5.058
207 HD2 HIS 30 2HD HIS 30 3.127 1.814 1.426
208 HE1 HIS 30 1HE HIS 30 5.154 -0.853 4.093
209 H LEU 31 H LEU 31 1.091 4.791 2.619
210 HA LEU 31 HA LEU 31 3.832 5.293 2.026
211 HB2 LEU 31 1HB LEU 31 1.573 7.311 1.921
212 HB3 LEU 31 2HB LEU 31 3.130 7.451 1.125
213 HG LEU 31 HG LEU 31 0.872 5.558 0.427
214 HD11 LEU 31 1HD1 LEU 31 0.720 7.872 -0.397
215 HD12 LEU 31 2HD1 LEU 31 0.928 6.703 -1.711
216 HD13 LEU 31 3HD1 LEU 31 2.306 7.691 -1.178
217 HD21 LEU 31 3HD2 LEU 31 2.290 4.724 -1.413
218 HD22 LEU 31 1HD2 LEU 31 2.926 4.254 0.162
219 HD23 LEU 31 2HD2 LEU 31 3.682 5.598 -0.726
220 H LYS 32 H LYS 32 1.810 6.761 4.570
221 HA LYS 32 HA LYS 32 3.692 8.696 5.466
222 HB2 LYS 32 1HB LYS 32 2.370 8.879 7.459
223 HB3 LYS 32 2HB LYS 32 1.318 8.739 6.048
224 HG2 LYS 32 1HG LYS 32 0.897 6.363 6.580
225 HG3 LYS 32 2HG LYS 32 1.987 6.465 7.978
226 HD2 LYS 32 1HD LYS 32 0.510 8.244 8.949
227 HD3 LYS 32 2HD LYS 32 -0.616 8.006 7.593
228 HE2 LYS 32 1HE LYS 32 -0.883 5.618 8.250
229 HE3 LYS 32 2HE LYS 32 0.256 5.851 9.577
230 HZ1 LYS 32 3HZ LYS 32 -2.356 7.253 9.324
231 HZ2 LYS 32 1HZ LYS 32 -1.296 7.457 10.551
232 HZ3 LYS 32 2HZ LYS 32 -2.040 6.021 10.348
233 H VAL 33 H VAL 33 3.777 5.286 5.968
234 HA VAL 33 HA VAL 33 5.464 5.089 8.274
235 HB VAL 33 HB VAL 33 5.301 3.282 5.826
236 HG11 VAL 33 1HG1 VAL 33 6.092 2.626 8.662
237 HG12 VAL 33 2HG1 VAL 33 5.827 1.466 7.332
238 HG13 VAL 33 3HG1 VAL 33 7.153 2.635 7.225
239 HG21 VAL 33 3HG2 VAL 33 3.693 3.075 8.419
240 HG22 VAL 33 1HG2 VAL 33 3.019 3.647 6.885
241 HG23 VAL 33 2HG2 VAL 33 3.608 1.990 7.006
242 H HIS 34 H HIS 34 6.096 5.821 4.864
243 HA HIS 34 HA HIS 34 9.022 5.612 5.184
244 HB2 HIS 34 1HB HIS 34 7.309 6.303 2.771
245 HB3 HIS 34 2HB HIS 34 9.043 5.986 2.768
246 HD1 HIS 34 1HD HIS 34 9.541 3.350 4.023
247 HD2 HIS 34 2HD HIS 34 5.927 4.227 2.048
248 HE1 HIS 34 1HE HIS 34 8.517 1.104 3.415
249 H THR 35 H THR 35 6.567 8.190 4.977
250 HA THR 35 HA THR 35 8.600 10.297 4.691
251 HB THR 35 HB THR 35 6.792 11.872 4.891
252 HG1 THR 35 1HG THR 35 4.684 11.138 5.205
253 HG21 THR 35 3HG2 THR 35 7.126 10.749 2.685
254 HG22 THR 35 1HG2 THR 35 5.458 11.280 2.956
255 HG23 THR 35 2HG2 THR 35 5.875 9.563 3.123
256 H ALA 36 H ALA 36 6.802 8.812 7.346
257 HA ALA 36 HA ALA 36 6.913 8.967 9.571
258 HB1 ALA 36 1HB ALA 36 9.845 9.569 9.059
259 HB2 ALA 36 2HB ALA 36 9.143 8.896 10.546
260 HB3 ALA 36 3HB ALA 36 9.088 7.959 9.041
261 H LEU 37 H LEU 37 5.830 11.280 8.536
262 HA LEU 37 HA LEU 37 6.955 13.611 9.923
263 HB2 LEU 37 1HB LEU 37 4.517 13.299 8.136
264 HB3 LEU 37 2HB LEU 37 5.110 14.818 8.803
265 HG LEU 37 HG LEU 37 6.616 13.037 6.840
266 HD11 LEU 37 1HD1 LEU 37 4.670 14.185 5.854
267 HD12 LEU 37 2HD1 LEU 37 6.194 14.836 5.230
268 HD13 LEU 37 3HD1 LEU 37 5.279 15.743 6.456
269 HD21 LEU 37 3HD2 LEU 37 7.340 15.773 7.976
270 HD22 LEU 37 1HD2 LEU 37 8.163 14.977 6.615
271 HD23 LEU 37 2HD2 LEU 37 8.230 14.249 8.219
272 H ASP 38 H ASP 38 6.591 13.853 11.891
273 HA ASP 38 HA ASP 38 3.888 13.555 13.141
274 HB2 ASP 38 1HB ASP 38 5.269 11.638 13.798
275 HB3 ASP 38 2HB ASP 38 6.549 12.714 14.345
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -0.129 -13.261 5.497
2 H2 GLY 1 2H GLY 1 -1.636 -13.151 4.863
3 H3 GLY 1 3H GLY 1 -0.703 -11.811 4.990
4 HA2 GLY 1 1HA GLY 1 0.884 -12.688 3.401
5 HA3 GLY 1 2HA GLY 1 -0.143 -14.126 3.252
6 H SER 2 H SER 2 -0.581 -13.841 1.059
7 HA SER 2 HA SER 2 -1.657 -11.357 -0.027
8 HB2 SER 2 1HB SER 2 -0.242 -13.047 -1.269
9 HB3 SER 2 2HB SER 2 -1.669 -14.102 -1.315
10 HG SER 2 HG SER 2 -1.446 -12.749 -3.189
11 H SER 3 H SER 3 -3.733 -11.369 -1.282
12 HA SER 3 HA SER 3 -5.960 -11.717 0.458
13 HB2 SER 3 1HB SER 3 -5.917 -11.263 -2.550
14 HB3 SER 3 2HB SER 3 -7.313 -11.032 -1.481
15 HG SER 3 HG SER 3 -6.225 -9.063 -1.848
16 H GLY 4 H GLY 4 -7.698 -13.119 0.483
17 HA2 GLY 4 1HA GLY 4 -7.258 -15.860 -0.269
18 HA3 GLY 4 2HA GLY 4 -8.725 -15.174 0.429
19 H SER 5 H SER 5 -8.667 -13.263 -2.052
20 HA SER 5 HA SER 5 -9.621 -15.104 -4.197
21 HB2 SER 5 1HB SER 5 -11.092 -12.632 -3.199
22 HB3 SER 5 2HB SER 5 -11.518 -13.580 -4.634
23 HG SER 5 HG SER 5 -12.755 -14.178 -2.787
24 H SER 6 H SER 6 -9.495 -14.252 -6.312
25 HA SER 6 HA SER 6 -7.243 -12.591 -6.850
26 HB2 SER 6 1HB SER 6 -9.485 -13.434 -8.723
27 HB3 SER 6 2HB SER 6 -7.890 -12.817 -9.199
28 HG SER 6 HG SER 6 -7.981 -15.117 -9.235
29 H GLY 7 H GLY 7 -7.032 -10.556 -7.766
30 HA2 GLY 7 1HA GLY 7 -9.072 -8.791 -8.610
31 HA3 GLY 7 2HA GLY 7 -8.765 -8.468 -6.900
32 H ILE 8 H ILE 8 -8.280 -6.380 -8.337
33 HA ILE 8 HA ILE 8 -5.431 -6.289 -9.198
34 HB ILE 8 HB ILE 8 -7.570 -4.150 -9.394
35 HG12 ILE 8 1HG1 ILE 8 -8.255 -5.974 -10.826
36 HG13 ILE 8 2HG1 ILE 8 -7.671 -4.638 -11.797
37 HG21 ILE 8 1HG2 ILE 8 -4.762 -4.325 -10.573
38 HG22 ILE 8 2HG2 ILE 8 -5.980 -3.115 -11.027
39 HG23 ILE 8 3HG2 ILE 8 -5.359 -3.155 -9.379
40 HD11 ILE 8 3HD1 ILE 8 -5.524 -5.845 -12.188
41 HD12 ILE 8 1HD1 ILE 8 -6.124 -7.204 -11.205
42 HD13 ILE 8 2HD1 ILE 8 -6.932 -6.776 -12.721
43 H LEU 9 H LEU 9 -3.924 -5.740 -7.809
44 HA LEU 9 HA LEU 9 -4.566 -4.148 -5.382
45 HB2 LEU 9 1HB LEU 9 -2.360 -6.137 -6.023
46 HB3 LEU 9 2HB LEU 9 -2.252 -4.981 -4.702
47 HG LEU 9 HG LEU 9 -4.398 -5.862 -3.783
48 HD11 LEU 9 1HD1 LEU 9 -4.993 -8.235 -4.359
49 HD12 LEU 9 2HD1 LEU 9 -3.948 -8.104 -5.791
50 HD13 LEU 9 3HD1 LEU 9 -5.396 -7.082 -5.621
51 HD21 LEU 9 3HD2 LEU 9 -2.219 -6.467 -2.842
52 HD22 LEU 9 1HD2 LEU 9 -2.076 -7.812 -3.997
53 HD23 LEU 9 2HD2 LEU 9 -3.335 -7.831 -2.742
54 H LEU 10 H LEU 10 -3.424 -2.436 -4.766
55 HA LEU 10 HA LEU 10 -1.776 -0.933 -6.725
56 HB2 LEU 10 1HB LEU 10 -2.765 -0.095 -3.975
57 HB3 LEU 10 2HB LEU 10 -2.113 0.943 -5.247
58 HG LEU 10 HG LEU 10 -4.801 -0.502 -5.318
59 HD11 LEU 10 1HD1 LEU 10 -4.116 2.442 -4.958
60 HD12 LEU 10 2HD1 LEU 10 -4.697 1.336 -3.691
61 HD13 LEU 10 3HD1 LEU 10 -5.748 1.742 -5.058
62 HD21 LEU 10 3HD2 LEU 10 -3.900 -0.205 -7.599
63 HD22 LEU 10 1HD2 LEU 10 -3.580 1.513 -7.262
64 HD23 LEU 10 2HD2 LEU 10 -5.249 0.902 -7.311
65 H LYS 11 H LYS 11 0.323 -0.138 -6.032
66 HA LYS 11 HA LYS 11 1.608 -1.792 -3.899
67 HB2 LYS 11 1HB LYS 11 2.084 -2.002 -6.693
68 HB3 LYS 11 2HB LYS 11 3.453 -1.090 -6.054
69 HG2 LYS 11 1HG LYS 11 3.592 -2.918 -4.219
70 HG3 LYS 11 2HG LYS 11 2.418 -3.813 -5.193
71 HD2 LYS 11 1HD LYS 11 4.587 -4.669 -5.662
72 HD3 LYS 11 2HD LYS 11 4.090 -3.757 -7.099
73 HE2 LYS 11 1HE LYS 11 5.527 -1.898 -6.509
74 HE3 LYS 11 2HE LYS 11 5.774 -2.524 -4.873
75 HZ1 LYS 11 3HZ LYS 11 7.686 -2.993 -6.290
76 HZ2 LYS 11 1HZ LYS 11 6.767 -3.862 -7.328
77 HZ3 LYS 11 2HZ LYS 11 6.991 -4.388 -5.787
78 H CYS 12 H CYS 12 3.267 -1.004 -2.735
79 HA CYS 12 HA CYS 12 3.500 1.812 -2.281
80 HB2 CYS 12 1HB CYS 12 3.807 0.023 -0.614
81 HB3 CYS 12 2HB CYS 12 5.278 -0.505 -1.461
82 HA PRO 13 HA PRO 13 6.461 2.468 -5.622
83 HB2 PRO 13 1HB PRO 13 6.746 5.151 -5.508
84 HB3 PRO 13 2HB PRO 13 5.164 4.400 -5.883
85 HG2 PRO 13 1HG PRO 13 6.150 5.405 -3.185
86 HG3 PRO 13 2HG PRO 13 4.603 5.790 -4.006
87 HD2 PRO 13 1HD PRO 13 4.840 3.799 -2.127
88 HD3 PRO 13 2HD PRO 13 3.703 3.686 -3.505
89 H THR 14 H THR 14 7.317 2.931 -2.289
90 HA THR 14 HA THR 14 9.801 4.293 -2.645
91 HB THR 14 HB THR 14 8.899 2.629 -0.270
92 HG1 THR 14 1HG THR 14 8.096 4.598 0.452
93 HG21 THR 14 3HG2 THR 14 10.292 4.284 1.014
94 HG22 THR 14 1HG2 THR 14 10.908 4.917 -0.525
95 HG23 THR 14 2HG2 THR 14 11.257 3.242 -0.032
96 H ASP 15 H ASP 15 11.929 3.640 -2.698
97 HA ASP 15 HA ASP 15 12.573 1.141 -3.879
98 HB2 ASP 15 1HB ASP 15 13.915 3.174 -4.152
99 HB3 ASP 15 2HB ASP 15 14.343 3.150 -2.441
100 H GLY 16 H GLY 16 13.230 -0.795 -3.124
101 HA2 GLY 16 1HA GLY 16 13.792 -2.503 -1.674
102 HA3 GLY 16 2HA GLY 16 14.033 -1.331 -0.379
103 H CYS 17 H CYS 17 10.970 -0.652 -1.415
104 HA CYS 17 HA CYS 17 9.647 -2.484 0.521
105 HB2 CYS 17 1HB CYS 17 9.591 0.064 0.728
106 HB3 CYS 17 2HB CYS 17 8.532 0.043 -0.697
107 H ASP 18 H ASP 18 7.814 -3.604 -0.054
108 HA ASP 18 HA ASP 18 6.982 -3.755 -2.892
109 HB2 ASP 18 1HB ASP 18 8.922 -5.363 -2.446
110 HB3 ASP 18 2HB ASP 18 7.825 -6.262 -1.400
111 H TYR 19 H TYR 19 5.829 -3.002 -0.163
112 HA TYR 19 HA TYR 19 3.708 -4.780 0.543
113 HB2 TYR 19 1HB TYR 19 4.421 -3.044 2.038
114 HB3 TYR 19 2HB TYR 19 4.167 -1.802 0.831
115 HD1 TYR 19 1HD TYR 19 1.893 -0.974 0.285
116 HD2 TYR 19 2HD TYR 19 2.526 -3.985 3.315
117 HE1 TYR 19 1HE TYR 19 -0.386 -0.569 1.167
118 HE2 TYR 19 2HE TYR 19 0.225 -3.590 4.179
119 HH TYR 19 HH TYR 19 -1.712 -2.387 3.957
120 H SER 20 H SER 20 1.648 -5.033 -0.172
121 HA SER 20 HA SER 20 0.544 -3.203 -2.207
122 HB2 SER 20 1HB SER 20 -0.268 -5.095 -3.570
123 HB3 SER 20 2HB SER 20 1.503 -4.996 -3.517
124 HG SER 20 HG SER 20 0.813 -7.140 -3.211
125 H THR 21 H THR 21 -1.678 -3.134 -2.416
126 HA THR 21 HA THR 21 -3.449 -4.695 -0.685
127 HB THR 21 HB THR 21 -2.715 -3.099 0.956
128 HG1 THR 21 1HG THR 21 -4.773 -3.302 1.327
129 HG21 THR 21 3HG2 THR 21 -1.890 -1.269 -0.526
130 HG22 THR 21 1HG2 THR 21 -2.983 -0.701 0.743
131 HG23 THR 21 2HG2 THR 21 -3.571 -0.861 -0.923
132 HA PRO 22 HA PRO 22 -6.129 -3.386 -4.062
133 HB2 PRO 22 1HB PRO 22 -8.574 -4.222 -3.224
134 HB3 PRO 22 2HB PRO 22 -7.271 -5.359 -3.683
135 HG2 PRO 22 1HG PRO 22 -8.015 -4.419 -0.892
136 HG3 PRO 22 2HG PRO 22 -7.786 -6.105 -1.463
137 HD2 PRO 22 1HD PRO 22 -5.809 -4.722 -0.207
138 HD3 PRO 22 2HD PRO 22 -5.435 -5.854 -1.529
139 H ASP 23 H ASP 23 -6.126 -1.865 -0.983
140 HA ASP 23 HA ASP 23 -8.289 0.047 -1.759
141 HB2 ASP 23 1HB ASP 23 -8.443 -1.333 0.418
142 HB3 ASP 23 2HB ASP 23 -7.104 -0.374 0.961
143 H LYS 24 H LYS 24 -7.868 2.088 -2.205
144 HA LYS 24 HA LYS 24 -5.313 3.303 -2.437
145 HB2 LYS 24 1HB LYS 24 -7.281 4.060 -3.662
146 HB3 LYS 24 2HB LYS 24 -8.149 4.387 -2.160
147 HG2 LYS 24 1HG LYS 24 -6.538 6.235 -1.647
148 HG3 LYS 24 2HG LYS 24 -5.751 5.949 -3.214
149 HD2 LYS 24 1HD LYS 24 -7.828 6.524 -4.389
150 HD3 LYS 24 2HD LYS 24 -8.717 6.572 -2.855
151 HE2 LYS 24 1HE LYS 24 -7.131 8.420 -2.106
152 HE3 LYS 24 2HE LYS 24 -6.526 8.477 -3.769
153 HZ1 LYS 24 3HZ LYS 24 -8.834 8.968 -4.476
154 HZ2 LYS 24 1HZ LYS 24 -8.295 10.101 -3.433
155 HZ3 LYS 24 2HZ LYS 24 -9.338 8.953 -2.915
156 H TYR 25 H TYR 25 -7.600 3.449 0.325
157 HA TYR 25 HA TYR 25 -5.964 5.500 1.639
158 HB2 TYR 25 1HB TYR 25 -8.467 4.099 2.612
159 HB3 TYR 25 2HB TYR 25 -7.713 5.528 3.311
160 HD1 TYR 25 1HD TYR 25 -7.436 7.625 1.796
161 HD2 TYR 25 2HD TYR 25 -10.053 4.332 0.833
162 HE1 TYR 25 1HE TYR 25 -8.612 9.047 0.124
163 HE2 TYR 25 2HE TYR 25 -11.236 5.760 -0.830
164 HH TYR 25 HH TYR 25 -11.369 7.825 -1.815
165 H LYS 26 H LYS 26 -6.490 1.983 1.940
166 HA LYS 26 HA LYS 26 -4.779 1.639 4.267
167 HB2 LYS 26 1HB LYS 26 -5.219 -0.283 1.950
168 HB3 LYS 26 2HB LYS 26 -4.467 -0.674 3.483
169 HG2 LYS 26 1HG LYS 26 -6.582 -0.106 4.684
170 HG3 LYS 26 2HG LYS 26 -7.372 0.189 3.145
171 HD2 LYS 26 1HD LYS 26 -6.875 -2.185 2.475
172 HD3 LYS 26 2HD LYS 26 -6.138 -2.446 4.069
173 HE2 LYS 26 1HE LYS 26 -8.295 -1.834 5.156
174 HE3 LYS 26 2HE LYS 26 -9.029 -1.595 3.564
175 HZ1 LYS 26 3HZ LYS 26 -7.943 -4.176 4.570
176 HZ2 LYS 26 1HZ LYS 26 -8.620 -3.957 3.097
177 HZ3 LYS 26 2HZ LYS 26 -9.525 -3.803 4.446
178 H LEU 27 H LEU 27 -4.052 1.857 0.749
179 HA LEU 27 HA LEU 27 -1.234 1.547 1.079
180 HB2 LEU 27 1HB LEU 27 -2.425 1.343 -1.095
181 HB3 LEU 27 2HB LEU 27 -2.733 3.073 -1.074
182 HG LEU 27 HG LEU 27 -0.339 3.576 -1.198
183 HD11 LEU 27 1HD1 LEU 27 0.680 1.684 -0.016
184 HD12 LEU 27 2HD1 LEU 27 1.303 1.762 -1.659
185 HD13 LEU 27 3HD1 LEU 27 0.070 0.549 -1.250
186 HD21 LEU 27 3HD2 LEU 27 0.065 2.800 -3.458
187 HD22 LEU 27 1HD2 LEU 27 -1.663 3.165 -3.274
188 HD23 LEU 27 2HD2 LEU 27 -1.100 1.477 -3.246
189 H GLN 28 H GLN 28 -3.206 4.602 0.971
190 HA GLN 28 HA GLN 28 -1.055 6.401 1.385
191 HB2 GLN 28 1HB GLN 28 -3.975 6.499 2.257
192 HB3 GLN 28 2HB GLN 28 -2.841 7.827 2.546
193 HG2 GLN 28 1HG GLN 28 -2.308 7.921 0.164
194 HG3 GLN 28 2HG GLN 28 -3.494 6.681 -0.203
195 HE21 GLN 28 1HE2 GLN 28 -3.859 8.967 -1.577
196 HE22 GLN 28 2HE2 GLN 28 -5.156 9.928 -0.877
197 H ALA 29 H ALA 29 -2.972 4.690 3.831
198 HA ALA 29 HA ALA 29 -1.577 5.612 6.137
199 HB1 ALA 29 1HB ALA 29 -3.757 4.458 6.184
200 HB2 ALA 29 2HB ALA 29 -2.973 2.943 5.683
201 HB3 ALA 29 3HB ALA 29 -2.580 3.670 7.254
202 H HIS 30 H HIS 30 -0.539 3.210 3.752
203 HA HIS 30 HA HIS 30 1.819 2.424 5.398
204 HB2 HIS 30 1HB HIS 30 0.669 0.693 4.125
205 HB3 HIS 30 2HB HIS 30 0.878 1.599 2.627
206 HD1 HIS 30 1HD HIS 30 2.950 -0.464 5.124
207 HD2 HIS 30 2HD HIS 30 3.285 1.647 1.509
208 HE1 HIS 30 1HE HIS 30 5.267 -0.997 4.229
209 H LEU 31 H LEU 31 1.131 4.572 2.551
210 HA LEU 31 HA LEU 31 3.867 5.176 1.979
211 HB2 LEU 31 1HB LEU 31 1.491 7.057 1.909
212 HB3 LEU 31 2HB LEU 31 3.050 7.360 1.159
213 HG LEU 31 HG LEU 31 1.065 5.205 0.340
214 HD11 LEU 31 1HD1 LEU 31 0.838 6.520 -1.697
215 HD12 LEU 31 2HD1 LEU 31 2.006 7.714 -1.086
216 HD13 LEU 31 3HD1 LEU 31 0.435 7.508 -0.283
217 HD21 LEU 31 3HD2 LEU 31 2.552 4.821 -1.586
218 HD22 LEU 31 1HD2 LEU 31 3.324 4.363 -0.067
219 HD23 LEU 31 2HD2 LEU 31 3.772 5.894 -0.859
220 H LYS 32 H LYS 32 1.743 6.428 4.526
221 HA LYS 32 HA LYS 32 3.453 8.356 5.702
222 HB2 LYS 32 1HB LYS 32 1.315 6.551 6.886
223 HB3 LYS 32 2HB LYS 32 2.143 7.806 7.817
224 HG2 LYS 32 1HG LYS 32 1.392 9.542 6.255
225 HG3 LYS 32 2HG LYS 32 0.568 8.334 5.261
226 HD2 LYS 32 1HD LYS 32 -0.893 7.746 7.189
227 HD3 LYS 32 2HD LYS 32 -0.071 8.978 8.173
228 HE2 LYS 32 1HE LYS 32 -0.765 10.724 6.531
229 HE3 LYS 32 2HE LYS 32 -1.608 9.492 5.583
230 HZ1 LYS 32 3HZ LYS 32 -3.130 10.666 7.069
231 HZ2 LYS 32 1HZ LYS 32 -2.269 10.239 8.385
232 HZ3 LYS 32 2HZ LYS 32 -3.053 9.099 7.515
233 H VAL 33 H VAL 33 3.942 4.850 5.808
234 HA VAL 33 HA VAL 33 5.680 4.981 8.134
235 HB VAL 33 HB VAL 33 6.189 2.822 7.851
236 HG11 VAL 33 1HG1 VAL 33 3.844 3.040 8.346
237 HG12 VAL 33 2HG1 VAL 33 3.470 2.889 6.620
238 HG13 VAL 33 3HG1 VAL 33 4.217 1.536 7.478
239 HG21 VAL 33 3HG2 VAL 33 5.971 1.367 5.912
240 HG22 VAL 33 1HG2 VAL 33 5.659 2.797 4.919
241 HG23 VAL 33 2HG2 VAL 33 7.204 2.613 5.753
242 H HIS 34 H HIS 34 6.054 5.769 4.820
243 HA HIS 34 HA HIS 34 9.027 5.861 4.964
244 HB2 HIS 34 1HB HIS 34 7.168 6.179 2.581
245 HB3 HIS 34 2HB HIS 34 8.920 6.031 2.545
246 HD1 HIS 34 1HD HIS 34 9.804 3.502 3.618
247 HD2 HIS 34 2HD HIS 34 5.810 3.958 2.405
248 HE1 HIS 34 1HE HIS 34 8.902 1.151 3.298
249 H THR 35 H THR 35 6.188 7.996 4.335
250 HA THR 35 HA THR 35 7.886 10.294 3.763
251 HB THR 35 HB THR 35 5.786 11.539 3.542
252 HG1 THR 35 1HG THR 35 3.850 10.452 3.786
253 HG21 THR 35 3HG2 THR 35 4.871 10.344 1.626
254 HG22 THR 35 1HG2 THR 35 5.660 8.837 2.135
255 HG23 THR 35 2HG2 THR 35 6.638 10.225 1.618
256 H ALA 36 H ALA 36 6.825 9.021 6.750
257 HA ALA 36 HA ALA 36 6.709 11.530 8.213
258 HB1 ALA 36 1HB ALA 36 6.972 8.643 9.138
259 HB2 ALA 36 2HB ALA 36 6.660 10.045 10.186
260 HB3 ALA 36 3HB ALA 36 5.467 9.577 8.961
261 H LEU 37 H LEU 37 8.631 12.529 7.407
262 HA LEU 37 HA LEU 37 11.052 11.953 9.001
263 HB2 LEU 37 1HB LEU 37 11.332 10.800 6.822
264 HB3 LEU 37 2HB LEU 37 10.958 12.300 5.974
265 HG LEU 37 HG LEU 37 13.021 13.342 6.906
266 HD11 LEU 37 1HD1 LEU 37 13.551 10.553 8.034
267 HD12 LEU 37 2HD1 LEU 37 13.318 12.042 8.978
268 HD13 LEU 37 3HD1 LEU 37 14.739 11.873 7.949
269 HD21 LEU 37 3HD2 LEU 37 13.480 10.681 5.494
270 HD22 LEU 37 1HD2 LEU 37 14.607 12.057 5.539
271 HD23 LEU 37 2HD2 LEU 37 13.050 12.219 4.713
272 H ASP 38 H ASP 38 11.886 13.749 9.812
273 HA ASP 38 HA ASP 38 10.664 16.363 9.315
274 HB2 ASP 38 1HB ASP 38 11.785 17.088 11.275
275 HB3 ASP 38 2HB ASP 38 11.050 15.530 11.598
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -14.288 -11.952 -2.511
2 H2 GLY 1 2H GLY 1 -15.448 -13.110 -2.555
3 H3 GLY 1 3H GLY 1 -15.219 -12.124 -3.847
4 HA2 GLY 1 1HA GLY 1 -13.275 -14.106 -2.852
5 HA3 GLY 1 2HA GLY 1 -14.301 -14.313 -4.283
6 H SER 2 H SER 2 -11.351 -14.290 -4.069
7 HA SER 2 HA SER 2 -10.167 -11.854 -4.770
8 HB2 SER 2 1HB SER 2 -9.221 -14.640 -5.537
9 HB3 SER 2 2HB SER 2 -8.216 -13.190 -5.368
10 HG SER 2 HG SER 2 -8.679 -13.162 -3.152
11 H SER 3 H SER 3 -11.909 -13.982 -6.937
12 HA SER 3 HA SER 3 -10.783 -12.934 -9.404
13 HB2 SER 3 1HB SER 3 -13.383 -14.439 -8.945
14 HB3 SER 3 2HB SER 3 -12.547 -14.208 -10.492
15 HG SER 3 HG SER 3 -12.080 -16.253 -9.557
16 H GLY 4 H GLY 4 -12.912 -11.495 -7.184
17 HA2 GLY 4 1HA GLY 4 -14.704 -10.112 -9.019
18 HA3 GLY 4 2HA GLY 4 -14.513 -9.840 -7.293
19 H SER 5 H SER 5 -14.900 -7.609 -8.217
20 HA SER 5 HA SER 5 -12.851 -6.169 -9.601
21 HB2 SER 5 1HB SER 5 -15.250 -5.473 -9.342
22 HB3 SER 5 2HB SER 5 -14.889 -5.024 -7.662
23 HG SER 5 HG SER 5 -14.692 -3.259 -9.156
24 H SER 6 H SER 6 -11.320 -4.672 -8.848
25 HA SER 6 HA SER 6 -9.376 -4.279 -7.776
26 HB2 SER 6 1HB SER 6 -11.057 -4.289 -5.256
27 HB3 SER 6 2HB SER 6 -9.449 -3.569 -5.449
28 HG SER 6 HG SER 6 -11.128 -2.024 -5.710
29 H GLY 7 H GLY 7 -10.137 -7.199 -8.078
30 HA2 GLY 7 1HA GLY 7 -8.916 -8.720 -5.988
31 HA3 GLY 7 2HA GLY 7 -9.171 -9.227 -7.662
32 H ILE 8 H ILE 8 -7.518 -6.997 -8.734
33 HA ILE 8 HA ILE 8 -4.779 -8.013 -8.181
34 HB ILE 8 HB ILE 8 -5.720 -5.986 -10.236
35 HG12 ILE 8 1HG1 ILE 8 -6.675 -8.120 -10.844
36 HG13 ILE 8 2HG1 ILE 8 -5.363 -7.726 -11.932
37 HG21 ILE 8 1HG2 ILE 8 -3.023 -7.349 -9.832
38 HG22 ILE 8 2HG2 ILE 8 -3.475 -6.395 -11.261
39 HG23 ILE 8 3HG2 ILE 8 -3.388 -5.619 -9.679
40 HD11 ILE 8 3HD1 ILE 8 -5.223 -9.741 -9.641
41 HD12 ILE 8 1HD1 ILE 8 -5.339 -10.101 -11.370
42 HD13 ILE 8 2HD1 ILE 8 -3.876 -9.336 -10.734
43 H LEU 9 H LEU 9 -3.473 -6.997 -6.810
44 HA LEU 9 HA LEU 9 -4.546 -4.813 -5.245
45 HB2 LEU 9 1HB LEU 9 -1.796 -6.060 -4.999
46 HB3 LEU 9 2HB LEU 9 -2.693 -5.166 -3.780
47 HG LEU 9 HG LEU 9 -3.206 -7.966 -4.811
48 HD11 LEU 9 1HD1 LEU 9 -2.918 -8.568 -2.443
49 HD12 LEU 9 2HD1 LEU 9 -2.633 -6.860 -2.037
50 HD13 LEU 9 3HD1 LEU 9 -1.500 -7.737 -3.091
51 HD21 LEU 9 3HD2 LEU 9 -5.440 -6.944 -4.533
52 HD22 LEU 9 1HD2 LEU 9 -4.966 -6.351 -2.927
53 HD23 LEU 9 2HD2 LEU 9 -5.127 -8.092 -3.232
54 H LEU 10 H LEU 10 -3.563 -2.883 -4.685
55 HA LEU 10 HA LEU 10 -1.952 -1.465 -6.729
56 HB2 LEU 10 1HB LEU 10 -2.917 -0.502 -4.008
57 HB3 LEU 10 2HB LEU 10 -2.325 0.478 -5.350
58 HG LEU 10 HG LEU 10 -4.961 -1.065 -5.316
59 HD11 LEU 10 1HD1 LEU 10 -5.988 1.148 -5.133
60 HD12 LEU 10 2HD1 LEU 10 -4.382 1.915 -5.082
61 HD13 LEU 10 3HD1 LEU 10 -4.905 0.842 -3.764
62 HD21 LEU 10 3HD2 LEU 10 -3.835 0.920 -7.344
63 HD22 LEU 10 1HD2 LEU 10 -5.478 0.242 -7.353
64 HD23 LEU 10 2HD2 LEU 10 -4.089 -0.821 -7.614
65 H LYS 11 H LYS 11 0.177 -0.602 -6.123
66 HA LYS 11 HA LYS 11 1.480 -1.987 -3.809
67 HB2 LYS 11 1HB LYS 11 2.625 -1.640 -6.605
68 HB3 LYS 11 2HB LYS 11 3.510 -2.194 -5.185
69 HG2 LYS 11 1HG LYS 11 1.675 -4.039 -4.991
70 HG3 LYS 11 2HG LYS 11 1.226 -3.578 -6.631
71 HD2 LYS 11 1HD LYS 11 2.693 -5.460 -6.785
72 HD3 LYS 11 2HD LYS 11 3.609 -4.051 -7.345
73 HE2 LYS 11 1HE LYS 11 4.708 -3.889 -5.112
74 HE3 LYS 11 2HE LYS 11 3.750 -5.255 -4.532
75 HZ1 LYS 11 3HZ LYS 11 4.860 -6.650 -6.190
76 HZ2 LYS 11 1HZ LYS 11 5.970 -5.946 -5.216
77 HZ3 LYS 11 2HZ LYS 11 5.742 -5.382 -6.733
78 H CYS 12 H CYS 12 3.163 -1.079 -2.812
79 HA CYS 12 HA CYS 12 3.242 1.761 -2.502
80 HB2 CYS 12 1HB CYS 12 3.738 0.085 -0.793
81 HB3 CYS 12 2HB CYS 12 5.210 -0.380 -1.669
82 HA PRO 13 HA PRO 13 6.079 2.551 -5.946
83 HB2 PRO 13 1HB PRO 13 6.161 5.253 -5.876
84 HB3 PRO 13 2HB PRO 13 4.644 4.381 -6.254
85 HG2 PRO 13 1HG PRO 13 5.523 5.497 -3.564
86 HG3 PRO 13 2HG PRO 13 3.960 5.755 -4.407
87 HD2 PRO 13 1HD PRO 13 4.328 3.813 -2.493
88 HD3 PRO 13 2HD PRO 13 3.210 3.596 -3.875
89 H THR 14 H THR 14 6.871 2.884 -2.649
90 HA THR 14 HA THR 14 9.248 4.506 -2.873
91 HB THR 14 HB THR 14 8.587 2.650 -0.566
92 HG1 THR 14 1HG THR 14 6.793 3.839 -0.768
93 HG21 THR 14 3HG2 THR 14 9.667 4.485 0.747
94 HG22 THR 14 1HG2 THR 14 10.084 5.304 -0.770
95 HG23 THR 14 2HG2 THR 14 10.784 3.713 -0.378
96 H ASP 15 H ASP 15 11.429 3.960 -2.926
97 HA ASP 15 HA ASP 15 12.152 1.434 -4.081
98 HB2 ASP 15 1HB ASP 15 14.407 2.208 -4.021
99 HB3 ASP 15 2HB ASP 15 13.358 3.510 -4.563
100 H GLY 16 H GLY 16 13.154 -0.354 -3.261
101 HA2 GLY 16 1HA GLY 16 13.827 -1.940 -1.729
102 HA3 GLY 16 2HA GLY 16 13.930 -0.696 -0.485
103 H CYS 17 H CYS 17 10.842 -0.348 -1.563
104 HA CYS 17 HA CYS 17 9.663 -2.120 0.503
105 HB2 CYS 17 1HB CYS 17 9.361 0.424 0.365
106 HB3 CYS 17 2HB CYS 17 8.314 0.101 -1.031
107 H ASP 18 H ASP 18 7.837 -3.366 0.041
108 HA ASP 18 HA ASP 18 7.157 -4.001 -2.773
109 HB2 ASP 18 1HB ASP 18 9.087 -5.465 -2.051
110 HB3 ASP 18 2HB ASP 18 8.031 -6.162 -0.820
111 H TYR 19 H TYR 19 5.873 -2.866 -0.208
112 HA TYR 19 HA TYR 19 3.799 -4.632 0.659
113 HB2 TYR 19 1HB TYR 19 4.485 -2.754 1.978
114 HB3 TYR 19 2HB TYR 19 4.156 -1.629 0.676
115 HD1 TYR 19 2HD TYR 19 2.657 -3.726 3.329
116 HD2 TYR 19 1HD TYR 19 1.847 -0.876 0.183
117 HE1 TYR 19 2HE TYR 19 0.391 -3.298 4.281
118 HE2 TYR 19 1HE TYR 19 -0.381 -0.430 1.157
119 HH TYR 19 HH TYR 19 -1.841 -0.880 2.880
120 H SER 20 H SER 20 1.680 -4.846 0.113
121 HA SER 20 HA SER 20 0.550 -3.371 -2.158
122 HB2 SER 20 1HB SER 20 -0.184 -5.431 -3.294
123 HB3 SER 20 2HB SER 20 1.581 -5.305 -3.207
124 HG SER 20 HG SER 20 0.966 -7.394 -2.637
125 H THR 21 H THR 21 -1.685 -3.337 -2.297
126 HA THR 21 HA THR 21 -3.395 -4.638 -0.296
127 HB THR 21 HB THR 21 -2.495 -2.824 1.044
128 HG1 THR 21 1HG THR 21 -4.520 -3.026 1.602
129 HG21 THR 21 3HG2 THR 21 -2.849 -0.481 0.526
130 HG22 THR 21 1HG2 THR 21 -3.552 -0.881 -1.048
131 HG23 THR 21 2HG2 THR 21 -1.836 -1.211 -0.727
132 HA PRO 22 HA PRO 22 -6.180 -3.745 -3.704
133 HB2 PRO 22 1HB PRO 22 -8.605 -4.466 -2.729
134 HB3 PRO 22 2HB PRO 22 -7.300 -5.654 -3.021
135 HG2 PRO 22 1HG PRO 22 -8.036 -4.303 -0.398
136 HG3 PRO 22 2HG PRO 22 -7.793 -6.054 -0.705
137 HD2 PRO 22 1HD PRO 22 -5.831 -4.456 0.310
138 HD3 PRO 22 2HD PRO 22 -5.456 -5.807 -0.785
139 H ASP 23 H ASP 23 -6.109 -1.821 -0.877
140 HA ASP 23 HA ASP 23 -8.329 -0.041 -1.809
141 HB2 ASP 23 1HB ASP 23 -8.488 -1.244 0.472
142 HB3 ASP 23 2HB ASP 23 -7.143 -0.259 0.939
143 H LYS 24 H LYS 24 -7.930 2.021 -2.372
144 HA LYS 24 HA LYS 24 -5.239 3.017 -2.553
145 HB2 LYS 24 1HB LYS 24 -6.201 4.993 -3.538
146 HB3 LYS 24 2HB LYS 24 -6.937 3.544 -4.215
147 HG2 LYS 24 1HG LYS 24 -8.959 3.884 -2.836
148 HG3 LYS 24 2HG LYS 24 -8.219 5.301 -2.065
149 HD2 LYS 24 1HD LYS 24 -8.064 6.449 -4.218
150 HD3 LYS 24 2HD LYS 24 -8.762 5.060 -5.058
151 HE2 LYS 24 1HE LYS 24 -10.171 6.662 -2.877
152 HE3 LYS 24 2HE LYS 24 -10.331 6.994 -4.601
153 HZ1 LYS 24 3HZ LYS 24 -11.248 4.762 -4.900
154 HZ2 LYS 24 1HZ LYS 24 -12.143 5.601 -3.828
155 HZ3 LYS 24 2HZ LYS 24 -11.123 4.442 -3.301
156 H TYR 25 H TYR 25 -7.552 3.381 0.049
157 HA TYR 25 HA TYR 25 -6.085 5.694 1.187
158 HB2 TYR 25 1HB TYR 25 -8.449 4.170 2.313
159 HB3 TYR 25 2HB TYR 25 -7.755 5.655 2.932
160 HD1 TYR 25 1HD TYR 25 -7.761 7.752 1.416
161 HD2 TYR 25 2HD TYR 25 -10.147 4.243 0.634
162 HE1 TYR 25 1HE TYR 25 -9.285 9.109 -0.011
163 HE2 TYR 25 2HE TYR 25 -11.692 5.612 -0.765
164 HH TYR 25 HH TYR 25 -11.176 9.117 -1.310
165 H LYS 26 H LYS 26 -6.538 2.175 1.763
166 HA LYS 26 HA LYS 26 -4.767 2.012 4.051
167 HB2 LYS 26 1HB LYS 26 -5.237 -0.067 1.879
168 HB3 LYS 26 2HB LYS 26 -4.465 -0.355 3.424
169 HG2 LYS 26 1HG LYS 26 -6.565 0.297 4.611
170 HG3 LYS 26 2HG LYS 26 -7.376 0.472 3.065
171 HD2 LYS 26 1HD LYS 26 -6.861 -1.946 2.569
172 HD3 LYS 26 2HD LYS 26 -6.111 -2.078 4.173
173 HE2 LYS 26 1HE LYS 26 -8.268 -1.400 5.224
174 HE3 LYS 26 2HE LYS 26 -9.013 -1.296 3.623
175 HZ1 LYS 26 3HZ LYS 26 -7.891 -3.775 4.825
176 HZ2 LYS 26 1HZ LYS 26 -8.582 -3.684 3.345
177 HZ3 LYS 26 2HZ LYS 26 -9.479 -3.431 4.684
178 H LEU 27 H LEU 27 -4.094 2.006 0.538
179 HA LEU 27 HA LEU 27 -1.264 1.708 0.786
180 HB2 LEU 27 1HB LEU 27 -2.498 1.392 -1.319
181 HB3 LEU 27 2HB LEU 27 -2.911 3.110 -1.341
182 HG LEU 27 HG LEU 27 -0.529 3.706 -1.616
183 HD11 LEU 27 1HD1 LEU 27 0.602 1.870 -0.454
184 HD12 LEU 27 2HD1 LEU 27 1.122 1.921 -2.134
185 HD13 LEU 27 3HD1 LEU 27 -0.050 0.690 -1.623
186 HD21 LEU 27 3HD2 LEU 27 -1.938 3.251 -3.607
187 HD22 LEU 27 1HD2 LEU 27 -1.406 1.555 -3.568
188 HD23 LEU 27 2HD2 LEU 27 -0.233 2.851 -3.884
189 H GLN 28 H GLN 28 -3.219 4.747 0.535
190 HA GLN 28 HA GLN 28 -1.079 6.590 0.807
191 HB2 GLN 28 1HB GLN 28 -4.029 6.655 1.541
192 HB3 GLN 28 2HB GLN 28 -2.973 8.035 1.882
193 HG2 GLN 28 1HG GLN 28 -2.329 8.251 -0.379
194 HG3 GLN 28 2HG GLN 28 -3.151 6.780 -0.885
195 HE21 GLN 28 1HE2 GLN 28 -5.463 6.747 -0.994
196 HE22 GLN 28 2HE2 GLN 28 -6.391 8.254 -1.049
197 H ALA 29 H ALA 29 -2.996 5.052 3.345
198 HA ALA 29 HA ALA 29 -1.602 6.148 5.587
199 HB1 ALA 29 1HB ALA 29 -3.811 5.050 5.715
200 HB2 ALA 29 2HB ALA 29 -3.064 3.483 5.329
201 HB3 ALA 29 3HB ALA 29 -2.658 4.312 6.845
202 H HIS 30 H HIS 30 -0.693 3.403 3.484
203 HA HIS 30 HA HIS 30 1.618 2.661 5.179
204 HB2 HIS 30 1HB HIS 30 0.523 0.944 3.881
205 HB3 HIS 30 2HB HIS 30 0.748 1.843 2.384
206 HD1 HIS 30 1HD HIS 30 2.811 -0.216 4.891
207 HD2 HIS 30 2HD HIS 30 3.154 1.894 1.276
208 HE1 HIS 30 1HE HIS 30 5.138 -0.731 4.010
209 H LEU 31 H LEU 31 1.116 4.821 2.318
210 HA LEU 31 HA LEU 31 3.876 5.311 1.826
211 HB2 LEU 31 1HB LEU 31 1.683 7.396 1.752
212 HB3 LEU 31 2HB LEU 31 3.243 7.499 0.963
213 HG LEU 31 HG LEU 31 0.968 5.634 0.228
214 HD11 LEU 31 1HD1 LEU 31 0.941 6.887 -1.856
215 HD12 LEU 31 2HD1 LEU 31 2.295 7.894 -1.295
216 HD13 LEU 31 3HD1 LEU 31 0.719 7.979 -0.478
217 HD21 LEU 31 3HD2 LEU 31 2.348 4.922 -1.681
218 HD22 LEU 31 1HD2 LEU 31 3.057 4.412 -0.149
219 HD23 LEU 31 2HD2 LEU 31 3.737 5.813 -1.010
220 H LYS 32 H LYS 32 1.898 6.416 4.514
221 HA LYS 32 HA LYS 32 3.647 8.403 5.601
222 HB2 LYS 32 1HB LYS 32 1.883 6.562 7.250
223 HB3 LYS 32 2HB LYS 32 2.417 8.190 7.637
224 HG2 LYS 32 1HG LYS 32 0.351 7.360 5.584
225 HG3 LYS 32 2HG LYS 32 0.092 8.233 7.086
226 HD2 LYS 32 1HD LYS 32 1.377 10.178 6.144
227 HD3 LYS 32 2HD LYS 32 1.586 9.269 4.640
228 HE2 LYS 32 1HE LYS 32 -0.209 10.751 4.244
229 HE3 LYS 32 2HE LYS 32 -0.894 9.130 4.385
230 HZ1 LYS 32 3HZ LYS 32 -2.180 10.790 5.633
231 HZ2 LYS 32 1HZ LYS 32 -0.888 11.186 6.544
232 HZ3 LYS 32 2HZ LYS 32 -1.561 9.699 6.674
233 H VAL 33 H VAL 33 3.900 4.847 5.787
234 HA VAL 33 HA VAL 33 5.481 4.766 8.158
235 HB VAL 33 HB VAL 33 5.954 2.560 7.725
236 HG11 VAL 33 1HG1 VAL 33 3.616 2.893 8.140
237 HG12 VAL 33 2HG1 VAL 33 3.311 2.956 6.397
238 HG13 VAL 33 3HG1 VAL 33 3.923 1.467 7.127
239 HG21 VAL 33 3HG2 VAL 33 7.051 2.509 5.635
240 HG22 VAL 33 1HG2 VAL 33 5.747 1.329 5.640
241 HG23 VAL 33 2HG2 VAL 33 5.546 2.863 4.779
242 H HIS 34 H HIS 34 6.344 5.551 4.898
243 HA HIS 34 HA HIS 34 9.218 5.248 5.280
244 HB2 HIS 34 1HB HIS 34 7.571 6.318 2.962
245 HB3 HIS 34 2HB HIS 34 9.297 5.959 2.922
246 HD1 HIS 34 1HD HIS 34 9.848 3.228 3.620
247 HD2 HIS 34 2HD HIS 34 5.965 4.281 2.412
248 HE1 HIS 34 1HE HIS 34 8.685 1.053 3.043
249 H THR 35 H THR 35 7.259 7.543 6.505
250 HA THR 35 HA THR 35 9.512 9.479 6.659
251 HB THR 35 HB THR 35 8.084 10.381 4.936
252 HG1 THR 35 1HG THR 35 9.020 11.879 6.265
253 HG21 THR 35 3HG2 THR 35 5.894 9.425 5.486
254 HG22 THR 35 1HG2 THR 35 5.811 11.183 5.363
255 HG23 THR 35 2HG2 THR 35 5.809 10.418 6.962
256 H ALA 36 H ALA 36 6.454 8.312 8.135
257 HA ALA 36 HA ALA 36 6.761 9.848 10.534
258 HB1 ALA 36 1HB ALA 36 4.855 8.502 11.294
259 HB2 ALA 36 2HB ALA 36 4.607 9.037 9.621
260 HB3 ALA 36 3HB ALA 36 5.098 7.359 9.957
261 H LEU 37 H LEU 37 8.312 6.919 9.577
262 HA LEU 37 HA LEU 37 8.930 6.107 12.370
263 HB2 LEU 37 1HB LEU 37 9.463 4.667 9.752
264 HB3 LEU 37 2HB LEU 37 9.734 4.025 11.368
265 HG LEU 37 HG LEU 37 7.015 4.706 10.167
266 HD11 LEU 37 1HD1 LEU 37 6.664 2.281 10.222
267 HD12 LEU 37 2HD1 LEU 37 8.294 2.037 10.887
268 HD13 LEU 37 3HD1 LEU 37 8.087 2.677 9.243
269 HD21 LEU 37 3HD2 LEU 37 7.718 3.503 12.878
270 HD22 LEU 37 1HD2 LEU 37 6.085 3.580 12.177
271 HD23 LEU 37 2HD2 LEU 37 6.932 5.072 12.589
272 H ASP 38 H ASP 38 10.266 8.308 10.416
273 HA ASP 38 HA ASP 38 13.078 7.608 10.422
274 HB2 ASP 38 1HB ASP 38 12.077 9.115 8.765
275 HB3 ASP 38 2HB ASP 38 11.671 10.271 10.031
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 4.919 -16.121 -5.287
2 H2 GLY 1 2H GLY 1 5.561 -15.851 -6.771
3 H3 GLY 1 3H GLY 1 6.530 -16.305 -5.530
4 HA2 GLY 1 1HA GLY 1 6.157 -18.165 -7.015
5 HA3 GLY 1 2HA GLY 1 5.492 -18.462 -5.398
6 H SER 2 H SER 2 4.738 -19.483 -8.150
7 HA SER 2 HA SER 2 2.439 -18.279 -9.169
8 HB2 SER 2 1HB SER 2 3.162 -21.230 -9.282
9 HB3 SER 2 2HB SER 2 2.123 -20.345 -10.416
10 HG SER 2 HG SER 2 4.273 -20.566 -11.203
11 H SER 3 H SER 3 2.570 -20.393 -6.375
12 HA SER 3 HA SER 3 -0.246 -21.102 -6.349
13 HB2 SER 3 1HB SER 3 1.774 -21.132 -4.078
14 HB3 SER 3 2HB SER 3 0.236 -22.007 -4.139
15 HG SER 3 HG SER 3 1.046 -23.238 -5.868
16 H GLY 4 H GLY 4 1.275 -18.127 -5.648
17 HA2 GLY 4 1HA GLY 4 -0.252 -17.260 -3.363
18 HA3 GLY 4 2HA GLY 4 0.686 -16.246 -4.452
19 H SER 5 H SER 5 -1.757 -15.503 -3.286
20 HA SER 5 HA SER 5 -4.007 -15.742 -5.051
21 HB2 SER 5 1HB SER 5 -3.411 -13.628 -2.948
22 HB3 SER 5 2HB SER 5 -4.990 -13.962 -3.682
23 HG SER 5 HG SER 5 -4.735 -15.014 -1.651
24 H SER 6 H SER 6 -5.071 -14.046 -6.238
25 HA SER 6 HA SER 6 -3.429 -11.781 -7.223
26 HB2 SER 6 1HB SER 6 -3.109 -13.742 -8.765
27 HB3 SER 6 2HB SER 6 -4.850 -13.695 -9.107
28 HG SER 6 HG SER 6 -3.577 -12.498 -10.632
29 H GLY 7 H GLY 7 -4.676 -10.145 -8.323
30 HA2 GLY 7 1HA GLY 7 -7.426 -9.860 -8.581
31 HA3 GLY 7 2HA GLY 7 -7.106 -9.507 -6.880
32 H ILE 8 H ILE 8 -7.983 -7.381 -7.505
33 HA ILE 8 HA ILE 8 -6.285 -5.627 -9.138
34 HB ILE 8 HB ILE 8 -8.022 -3.915 -8.737
35 HG12 ILE 8 1HG1 ILE 8 -9.667 -6.197 -7.529
36 HG13 ILE 8 2HG1 ILE 8 -8.950 -4.897 -6.575
37 HG21 ILE 8 1HG2 ILE 8 -9.477 -4.963 -10.396
38 HG22 ILE 8 2HG2 ILE 8 -7.792 -5.442 -10.676
39 HG23 ILE 8 3HG2 ILE 8 -8.909 -6.582 -9.909
40 HD11 ILE 8 3HD1 ILE 8 -11.055 -4.567 -8.751
41 HD12 ILE 8 1HD1 ILE 8 -11.275 -4.380 -7.003
42 HD13 ILE 8 2HD1 ILE 8 -10.257 -3.226 -7.891
43 H LEU 9 H LEU 9 -4.654 -6.285 -7.585
44 HA LEU 9 HA LEU 9 -4.386 -4.770 -5.093
45 HB2 LEU 9 1HB LEU 9 -2.538 -6.581 -6.687
46 HB3 LEU 9 2HB LEU 9 -1.942 -5.652 -5.332
47 HG LEU 9 HG LEU 9 -2.369 -7.924 -4.697
48 HD11 LEU 9 1HD1 LEU 9 -2.656 -6.102 -3.021
49 HD12 LEU 9 2HD1 LEU 9 -3.609 -7.549 -2.659
50 HD13 LEU 9 3HD1 LEU 9 -4.409 -6.126 -3.348
51 HD21 LEU 9 3HD2 LEU 9 -5.332 -7.475 -5.192
52 HD22 LEU 9 1HD2 LEU 9 -4.560 -8.914 -4.503
53 HD23 LEU 9 2HD2 LEU 9 -4.241 -8.480 -6.188
54 H LEU 10 H LEU 10 -3.244 -3.034 -4.630
55 HA LEU 10 HA LEU 10 -1.824 -1.470 -6.742
56 HB2 LEU 10 1HB LEU 10 -2.818 -0.535 -4.027
57 HB3 LEU 10 2HB LEU 10 -2.200 0.461 -5.343
58 HG LEU 10 HG LEU 10 -4.843 -1.074 -5.404
59 HD11 LEU 10 1HD1 LEU 10 -4.271 1.887 -4.996
60 HD12 LEU 10 2HD1 LEU 10 -4.837 0.743 -3.757
61 HD13 LEU 10 3HD1 LEU 10 -5.876 1.128 -5.139
62 HD21 LEU 10 3HD2 LEU 10 -5.323 0.323 -7.383
63 HD22 LEU 10 1HD2 LEU 10 -3.912 -0.707 -7.667
64 HD23 LEU 10 2HD2 LEU 10 -3.689 1.020 -7.300
65 H LYS 11 H LYS 11 0.287 -0.618 -6.099
66 HA LYS 11 HA LYS 11 1.574 -1.976 -3.765
67 HB2 LYS 11 1HB LYS 11 2.394 -2.056 -6.653
68 HB3 LYS 11 2HB LYS 11 3.672 -1.891 -5.448
69 HG2 LYS 11 1HG LYS 11 2.878 -3.865 -4.246
70 HG3 LYS 11 2HG LYS 11 1.573 -4.091 -5.431
71 HD2 LYS 11 1HD LYS 11 3.238 -4.429 -7.210
72 HD3 LYS 11 2HD LYS 11 4.567 -4.148 -6.077
73 HE2 LYS 11 1HE LYS 11 2.496 -6.359 -5.715
74 HE3 LYS 11 2HE LYS 11 3.983 -6.588 -6.639
75 HZ1 LYS 11 3HZ LYS 11 3.974 -5.796 -3.766
76 HZ2 LYS 11 1HZ LYS 11 5.286 -6.132 -4.666
77 HZ3 LYS 11 2HZ LYS 11 4.222 -7.311 -4.322
78 H CYS 12 H CYS 12 3.250 -1.063 -2.774
79 HA CYS 12 HA CYS 12 3.338 1.769 -2.500
80 HB2 CYS 12 1HB CYS 12 3.797 0.070 -0.777
81 HB3 CYS 12 2HB CYS 12 5.284 -0.386 -1.632
82 HA PRO 13 HA PRO 13 6.245 2.519 -5.892
83 HB2 PRO 13 1HB PRO 13 6.368 5.218 -5.823
84 HB3 PRO 13 2HB PRO 13 4.842 4.369 -6.219
85 HG2 PRO 13 1HG PRO 13 5.703 5.474 -3.518
86 HG3 PRO 13 2HG PRO 13 4.157 5.757 -4.380
87 HD2 PRO 13 1HD PRO 13 4.465 3.810 -2.462
88 HD3 PRO 13 2HD PRO 13 3.366 3.612 -3.861
89 H THR 14 H THR 14 7.008 2.829 -2.587
90 HA THR 14 HA THR 14 9.381 4.453 -2.788
91 HB THR 14 HB THR 14 8.679 2.619 -0.476
92 HG1 THR 14 1HG THR 14 6.906 3.833 -0.718
93 HG21 THR 14 3HG2 THR 14 10.886 3.646 -0.251
94 HG22 THR 14 1HG2 THR 14 9.764 4.467 0.831
95 HG23 THR 14 2HG2 THR 14 10.228 5.242 -0.692
96 H ASP 15 H ASP 15 11.550 3.939 -2.819
97 HA ASP 15 HA ASP 15 12.390 1.491 -4.003
98 HB2 ASP 15 1HB ASP 15 13.597 3.608 -4.249
99 HB3 ASP 15 2HB ASP 15 13.982 3.617 -2.525
100 H GLY 16 H GLY 16 13.140 -0.402 -3.219
101 HA2 GLY 16 1HA GLY 16 13.772 -2.067 -1.752
102 HA3 GLY 16 2HA GLY 16 13.951 -0.871 -0.470
103 H CYS 17 H CYS 17 10.851 -0.401 -1.540
104 HA CYS 17 HA CYS 17 9.637 -2.205 0.489
105 HB2 CYS 17 1HB CYS 17 9.440 0.347 0.521
106 HB3 CYS 17 2HB CYS 17 8.383 0.170 -0.892
107 H ASP 18 H ASP 18 7.785 -3.384 -0.017
108 HA ASP 18 HA ASP 18 7.047 -3.819 -2.861
109 HB2 ASP 18 1HB ASP 18 8.947 -5.362 -2.257
110 HB3 ASP 18 2HB ASP 18 7.902 -6.099 -1.041
111 H TYR 19 H TYR 19 5.850 -2.933 -0.087
112 HA TYR 19 HA TYR 19 3.759 -4.667 0.688
113 HB2 TYR 19 1HB TYR 19 4.427 -2.825 2.059
114 HB3 TYR 19 2HB TYR 19 4.149 -1.670 0.770
115 HD1 TYR 19 2HD TYR 19 2.519 -3.752 3.362
116 HD2 TYR 19 1HD TYR 19 1.899 -0.871 0.206
117 HE1 TYR 19 2HE TYR 19 0.220 -3.310 4.208
118 HE2 TYR 19 1HE TYR 19 -0.370 -0.399 1.086
119 HH TYR 19 HH TYR 19 -1.702 -2.093 3.950
120 H SER 20 H SER 20 1.648 -4.921 0.119
121 HA SER 20 HA SER 20 0.508 -3.322 -2.062
122 HB2 SER 20 1HB SER 20 -0.256 -5.234 -3.343
123 HB3 SER 20 2HB SER 20 1.503 -5.256 -3.209
124 HG SER 20 HG SER 20 1.333 -6.838 -1.590
125 H THR 21 H THR 21 -1.698 -3.291 -2.255
126 HA THR 21 HA THR 21 -3.478 -4.752 -0.457
127 HB THR 21 HB THR 21 -2.779 -3.074 1.112
128 HG1 THR 21 1HG THR 21 -4.719 -2.269 1.605
129 HG21 THR 21 3HG2 THR 21 -3.600 -0.936 -0.902
130 HG22 THR 21 1HG2 THR 21 -1.931 -1.311 -0.438
131 HG23 THR 21 2HG2 THR 21 -3.055 -0.672 0.767
132 HA PRO 22 HA PRO 22 -6.116 -3.549 -3.927
133 HB2 PRO 22 1HB PRO 22 -8.572 -4.353 -3.105
134 HB3 PRO 22 2HB PRO 22 -7.269 -5.519 -3.491
135 HG2 PRO 22 1HG PRO 22 -8.070 -4.464 -0.755
136 HG3 PRO 22 2HG PRO 22 -7.831 -6.171 -1.253
137 HD2 PRO 22 1HD PRO 22 -5.882 -4.720 -0.010
138 HD3 PRO 22 2HD PRO 22 -5.488 -5.940 -1.246
139 H ASP 23 H ASP 23 -6.238 -2.089 -0.804
140 HA ASP 23 HA ASP 23 -8.348 -0.116 -1.559
141 HB2 ASP 23 1HB ASP 23 -7.147 -1.089 1.035
142 HB3 ASP 23 2HB ASP 23 -7.930 0.480 0.954
143 H LYS 24 H LYS 24 -7.752 1.766 -2.395
144 HA LYS 24 HA LYS 24 -5.102 2.803 -2.393
145 HB2 LYS 24 1HB LYS 24 -6.029 4.807 -3.356
146 HB3 LYS 24 2HB LYS 24 -6.782 3.385 -4.073
147 HG2 LYS 24 1HG LYS 24 -8.798 3.738 -2.625
148 HG3 LYS 24 2HG LYS 24 -8.035 5.189 -1.945
149 HD2 LYS 24 1HD LYS 24 -7.948 6.217 -4.186
150 HD3 LYS 24 2HD LYS 24 -8.706 4.767 -4.888
151 HE2 LYS 24 1HE LYS 24 -10.689 5.118 -3.418
152 HE3 LYS 24 2HE LYS 24 -9.932 6.570 -2.753
153 HZ1 LYS 24 3HZ LYS 24 -9.989 7.542 -4.991
154 HZ2 LYS 24 1HZ LYS 24 -11.492 7.126 -4.516
155 HZ3 LYS 24 2HZ LYS 24 -10.698 6.202 -5.601
156 H TYR 25 H TYR 25 -7.714 3.399 -0.081
157 HA TYR 25 HA TYR 25 -6.443 5.579 1.284
158 HB2 TYR 25 1HB TYR 25 -8.438 3.593 2.426
159 HB3 TYR 25 2HB TYR 25 -8.123 5.229 2.985
160 HD1 TYR 25 1HD TYR 25 -8.403 7.110 1.023
161 HD2 TYR 25 2HD TYR 25 -10.360 3.262 1.128
162 HE1 TYR 25 1HE TYR 25 -10.208 7.979 -0.460
163 HE2 TYR 25 2HE TYR 25 -12.153 4.134 -0.356
164 HH TYR 25 HH TYR 25 -12.973 5.946 -1.494
165 H LYS 26 H LYS 26 -6.433 2.043 1.929
166 HA LYS 26 HA LYS 26 -4.668 2.027 4.183
167 HB2 LYS 26 1HB LYS 26 -5.503 0.044 2.060
168 HB3 LYS 26 2HB LYS 26 -4.254 -0.350 3.219
169 HG2 LYS 26 1HG LYS 26 -6.381 -1.173 3.939
170 HG3 LYS 26 2HG LYS 26 -5.712 -0.021 5.092
171 HD2 LYS 26 1HD LYS 26 -7.311 1.670 4.467
172 HD3 LYS 26 2HD LYS 26 -7.924 0.694 3.131
173 HE2 LYS 26 1HE LYS 26 -8.117 -0.037 6.083
174 HE3 LYS 26 2HE LYS 26 -9.399 0.710 5.126
175 HZ1 LYS 26 3HZ LYS 26 -9.313 -1.286 3.646
176 HZ2 LYS 26 1HZ LYS 26 -9.779 -1.638 5.178
177 HZ3 LYS 26 2HZ LYS 26 -8.268 -1.995 4.683
178 H LEU 27 H LEU 27 -4.016 1.906 0.640
179 HA LEU 27 HA LEU 27 -1.191 1.688 0.925
180 HB2 LEU 27 1HB LEU 27 -2.413 1.225 -1.177
181 HB3 LEU 27 2HB LEU 27 -2.797 2.940 -1.324
182 HG LEU 27 HG LEU 27 -0.421 3.503 -1.594
183 HD11 LEU 27 1HD1 LEU 27 0.690 1.777 -0.256
184 HD12 LEU 27 2HD1 LEU 27 1.251 1.690 -1.919
185 HD13 LEU 27 3HD1 LEU 27 0.069 0.500 -1.338
186 HD21 LEU 27 3HD2 LEU 27 -1.202 1.178 -3.381
187 HD22 LEU 27 1HD2 LEU 27 -0.067 2.487 -3.774
188 HD23 LEU 27 2HD2 LEU 27 -1.792 2.847 -3.572
189 H GLN 28 H GLN 28 -3.207 4.673 0.549
190 HA GLN 28 HA GLN 28 -1.085 6.570 0.762
191 HB2 GLN 28 1HB GLN 28 -4.007 6.639 1.621
192 HB3 GLN 28 2HB GLN 28 -2.961 8.043 1.752
193 HG2 GLN 28 1HG GLN 28 -3.421 6.571 -0.880
194 HG3 GLN 28 2HG GLN 28 -4.433 7.887 -0.306
195 HE21 GLN 28 1HE2 GLN 28 -3.253 8.245 -2.743
196 HE22 GLN 28 2HE2 GLN 28 -1.930 9.396 -2.598
197 H ALA 29 H ALA 29 -3.003 5.037 3.389
198 HA ALA 29 HA ALA 29 -1.559 6.241 5.549
199 HB1 ALA 29 1HB ALA 29 -2.605 4.476 6.901
200 HB2 ALA 29 2HB ALA 29 -3.774 5.168 5.761
201 HB3 ALA 29 3HB ALA 29 -3.045 3.580 5.435
202 H HIS 30 H HIS 30 -0.698 3.414 3.535
203 HA HIS 30 HA HIS 30 1.626 2.697 5.208
204 HB2 HIS 30 1HB HIS 30 0.521 0.977 3.914
205 HB3 HIS 30 2HB HIS 30 0.753 1.872 2.416
206 HD1 HIS 30 1HD HIS 30 2.790 -0.209 4.921
207 HD2 HIS 30 2HD HIS 30 3.169 1.908 1.313
208 HE1 HIS 30 1HE HIS 30 5.112 -0.749 4.045
209 H LEU 31 H LEU 31 1.141 4.836 2.327
210 HA LEU 31 HA LEU 31 3.900 5.320 1.839
211 HB2 LEU 31 1HB LEU 31 1.681 7.381 1.738
212 HB3 LEU 31 2HB LEU 31 3.248 7.521 0.982
213 HG LEU 31 HG LEU 31 1.000 5.662 0.184
214 HD11 LEU 31 1HD1 LEU 31 2.475 7.837 -1.333
215 HD12 LEU 31 2HD1 LEU 31 0.879 8.007 -0.570
216 HD13 LEU 31 3HD1 LEU 31 1.098 6.875 -1.915
217 HD21 LEU 31 3HD2 LEU 31 3.058 4.363 -0.086
218 HD22 LEU 31 1HD2 LEU 31 3.830 5.729 -0.928
219 HD23 LEU 31 2HD2 LEU 31 2.444 4.878 -1.655
220 H LYS 32 H LYS 32 1.924 6.454 4.507
221 HA LYS 32 HA LYS 32 3.682 8.413 5.637
222 HB2 LYS 32 1HB LYS 32 1.873 6.564 7.227
223 HB3 LYS 32 2HB LYS 32 2.380 8.187 7.644
224 HG2 LYS 32 1HG LYS 32 0.464 7.403 5.416
225 HG3 LYS 32 2HG LYS 32 0.011 8.079 6.962
226 HD2 LYS 32 1HD LYS 32 1.724 9.568 4.914
227 HD3 LYS 32 2HD LYS 32 -0.040 9.683 5.024
228 HE2 LYS 32 1HE LYS 32 0.128 10.410 7.375
229 HE3 LYS 32 2HE LYS 32 1.895 10.342 7.285
230 HZ1 LYS 32 3HZ LYS 32 1.805 12.065 5.555
231 HZ2 LYS 32 1HZ LYS 32 1.083 12.603 6.914
232 HZ3 LYS 32 2HZ LYS 32 0.174 12.133 5.647
233 H VAL 33 H VAL 33 3.929 4.855 5.759
234 HA VAL 33 HA VAL 33 5.535 4.780 8.139
235 HB VAL 33 HB VAL 33 5.973 2.580 7.737
236 HG11 VAL 33 1HG1 VAL 33 3.321 2.947 6.419
237 HG12 VAL 33 2HG1 VAL 33 3.932 1.479 7.189
238 HG13 VAL 33 3HG1 VAL 33 3.634 2.934 8.161
239 HG21 VAL 33 3HG2 VAL 33 7.047 2.489 5.634
240 HG22 VAL 33 1HG2 VAL 33 5.750 1.302 5.686
241 HG23 VAL 33 2HG2 VAL 33 5.527 2.811 4.790
242 H HIS 34 H HIS 34 6.294 5.653 4.896
243 HA HIS 34 HA HIS 34 9.198 5.368 5.237
244 HB2 HIS 34 1HB HIS 34 7.516 6.330 2.898
245 HB3 HIS 34 2HB HIS 34 9.249 6.003 2.867
246 HD1 HIS 34 1HD HIS 34 9.847 3.296 3.636
247 HD2 HIS 34 2HD HIS 34 5.947 4.257 2.412
248 HE1 HIS 34 1HE HIS 34 8.718 1.088 3.111
249 H THR 35 H THR 35 7.050 7.718 6.238
250 HA THR 35 HA THR 35 9.193 9.818 6.212
251 HB THR 35 HB THR 35 7.420 11.525 6.109
252 HG1 THR 35 1HG THR 35 5.357 10.894 5.481
253 HG21 THR 35 3HG2 THR 35 8.568 10.776 4.017
254 HG22 THR 35 1HG2 THR 35 6.917 11.360 3.742
255 HG23 THR 35 2HG2 THR 35 7.251 9.614 3.739
256 H ALA 36 H ALA 36 6.448 8.436 8.036
257 HA ALA 36 HA ALA 36 7.046 10.146 10.353
258 HB1 ALA 36 1HB ALA 36 4.746 9.844 9.493
259 HB2 ALA 36 2HB ALA 36 4.841 8.107 9.865
260 HB3 ALA 36 3HB ALA 36 4.911 9.302 11.174
261 H LEU 37 H LEU 37 7.875 6.930 9.410
262 HA LEU 37 HA LEU 37 8.512 6.164 12.219
263 HB2 LEU 37 1HB LEU 37 6.791 4.808 10.964
264 HB3 LEU 37 2HB LEU 37 8.069 4.319 9.860
265 HG LEU 37 HG LEU 37 9.281 3.234 11.772
266 HD11 LEU 37 1HD1 LEU 37 6.775 3.974 13.346
267 HD12 LEU 37 2HD1 LEU 37 8.434 4.525 13.679
268 HD13 LEU 37 3HD1 LEU 37 8.022 2.822 13.875
269 HD21 LEU 37 3HD2 LEU 37 7.730 1.348 11.988
270 HD22 LEU 37 1HD2 LEU 37 7.738 1.961 10.329
271 HD23 LEU 37 2HD2 LEU 37 6.386 2.359 11.411
272 H ASP 38 H ASP 38 10.239 7.849 11.439
273 HA ASP 38 HA ASP 38 12.749 6.375 10.838
274 HB2 ASP 38 1HB ASP 38 11.983 7.317 8.702
275 HB3 ASP 38 2HB ASP 38 11.840 8.912 9.432
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -13.097 -11.960 -19.933
2 H2 GLY 1 2H GLY 1 -14.412 -11.878 -20.903
3 H3 GLY 1 3H GLY 1 -13.843 -13.336 -20.417
4 HA2 GLY 1 1HA GLY 1 -15.824 -12.795 -19.177
5 HA3 GLY 1 2HA GLY 1 -14.398 -12.859 -18.124
6 H SER 2 H SER 2 -15.484 -11.490 -16.607
7 HA SER 2 HA SER 2 -16.315 -8.790 -17.315
8 HB2 SER 2 1HB SER 2 -16.692 -8.576 -14.863
9 HB3 SER 2 2HB SER 2 -17.537 -9.935 -15.619
10 HG SER 2 HG SER 2 -16.511 -10.533 -13.648
11 H SER 3 H SER 3 -15.496 -6.853 -16.327
12 HA SER 3 HA SER 3 -12.679 -6.524 -16.712
13 HB2 SER 3 1HB SER 3 -14.718 -4.603 -15.528
14 HB3 SER 3 2HB SER 3 -13.103 -4.178 -16.126
15 HG SER 3 HG SER 3 -14.737 -3.812 -17.704
16 H GLY 4 H GLY 4 -11.071 -5.755 -15.293
17 HA2 GLY 4 1HA GLY 4 -10.993 -6.916 -12.649
18 HA3 GLY 4 2HA GLY 4 -9.768 -5.895 -13.401
19 H SER 5 H SER 5 -12.569 -4.094 -13.533
20 HA SER 5 HA SER 5 -11.703 -2.150 -11.660
21 HB2 SER 5 1HB SER 5 -13.924 -1.094 -12.165
22 HB3 SER 5 2HB SER 5 -12.950 -1.508 -13.586
23 HG SER 5 HG SER 5 -15.188 -2.133 -13.760
24 H SER 6 H SER 6 -13.579 -5.001 -11.034
25 HA SER 6 HA SER 6 -14.910 -4.200 -8.627
26 HB2 SER 6 1HB SER 6 -13.775 -6.915 -9.401
27 HB3 SER 6 2HB SER 6 -14.956 -6.602 -8.113
28 HG SER 6 HG SER 6 -15.961 -7.271 -10.071
29 H GLY 7 H GLY 7 -11.502 -4.857 -9.241
30 HA2 GLY 7 1HA GLY 7 -10.429 -3.535 -7.173
31 HA3 GLY 7 2HA GLY 7 -10.781 -5.066 -6.377
32 H ILE 8 H ILE 8 -8.264 -3.574 -7.209
33 HA ILE 8 HA ILE 8 -6.721 -5.948 -8.068
34 HB ILE 8 HB ILE 8 -5.244 -4.571 -9.469
35 HG12 ILE 8 1HG1 ILE 8 -7.422 -2.430 -9.387
36 HG13 ILE 8 2HG1 ILE 8 -5.874 -2.324 -8.543
37 HG21 ILE 8 1HG2 ILE 8 -8.090 -4.598 -10.530
38 HG22 ILE 8 2HG2 ILE 8 -6.585 -4.710 -11.464
39 HG23 ILE 8 3HG2 ILE 8 -7.055 -6.034 -10.395
40 HD11 ILE 8 3HD1 ILE 8 -5.702 -1.069 -10.578
41 HD12 ILE 8 1HD1 ILE 8 -4.684 -2.518 -10.728
42 HD13 ILE 8 2HD1 ILE 8 -6.263 -2.439 -11.551
43 H LEU 9 H LEU 9 -4.502 -5.909 -7.386
44 HA LEU 9 HA LEU 9 -4.045 -4.567 -4.841
45 HB2 LEU 9 1HB LEU 9 -2.376 -6.375 -6.626
46 HB3 LEU 9 2HB LEU 9 -1.679 -5.572 -5.241
47 HG LEU 9 HG LEU 9 -2.224 -7.861 -4.732
48 HD11 LEU 9 1HD1 LEU 9 -2.339 -6.141 -2.929
49 HD12 LEU 9 2HD1 LEU 9 -3.369 -7.549 -2.632
50 HD13 LEU 9 3HD1 LEU 9 -4.098 -6.038 -3.191
51 HD21 LEU 9 3HD2 LEU 9 -5.172 -7.191 -5.057
52 HD22 LEU 9 1HD2 LEU 9 -4.463 -8.729 -4.540
53 HD23 LEU 9 2HD2 LEU 9 -4.211 -8.164 -6.200
54 H LEU 10 H LEU 10 -2.949 -2.782 -4.396
55 HA LEU 10 HA LEU 10 -1.692 -1.193 -6.597
56 HB2 LEU 10 1HB LEU 10 -2.854 -0.265 -3.947
57 HB3 LEU 10 2HB LEU 10 -2.276 0.755 -5.265
58 HG LEU 10 HG LEU 10 -4.729 -1.061 -5.396
59 HD11 LEU 10 1HD1 LEU 10 -5.007 0.816 -3.850
60 HD12 LEU 10 2HD1 LEU 10 -6.003 1.026 -5.297
61 HD13 LEU 10 3HD1 LEU 10 -4.497 1.959 -5.114
62 HD21 LEU 10 3HD2 LEU 10 -3.697 1.051 -7.341
63 HD22 LEU 10 1HD2 LEU 10 -5.251 0.193 -7.462
64 HD23 LEU 10 2HD2 LEU 10 -3.737 -0.706 -7.632
65 H LYS 11 H LYS 11 0.447 -0.720 -6.422
66 HA LYS 11 HA LYS 11 1.963 -1.859 -4.140
67 HB2 LYS 11 1HB LYS 11 2.670 -1.063 -6.978
68 HB3 LYS 11 2HB LYS 11 3.932 -1.345 -5.791
69 HG2 LYS 11 1HG LYS 11 1.814 -3.442 -6.382
70 HG3 LYS 11 2HG LYS 11 3.303 -3.293 -7.324
71 HD2 LYS 11 1HD LYS 11 4.682 -3.652 -5.318
72 HD3 LYS 11 2HD LYS 11 3.241 -3.723 -4.311
73 HE2 LYS 11 1HE LYS 11 2.515 -5.646 -6.003
74 HE3 LYS 11 2HE LYS 11 4.245 -5.698 -6.367
75 HZ1 LYS 11 3HZ LYS 11 2.910 -6.201 -3.769
76 HZ2 LYS 11 1HZ LYS 11 4.514 -5.927 -3.833
77 HZ3 LYS 11 2HZ LYS 11 3.864 -7.231 -4.605
78 H CYS 12 H CYS 12 3.423 -0.861 -2.924
79 HA CYS 12 HA CYS 12 3.382 1.948 -2.435
80 HB2 CYS 12 1HB CYS 12 3.869 0.218 -0.791
81 HB3 CYS 12 2HB CYS 12 5.365 -0.206 -1.658
82 HA PRO 13 HA PRO 13 6.164 3.167 -5.777
83 HB2 PRO 13 1HB PRO 13 6.623 5.632 -4.114
84 HB3 PRO 13 2HB PRO 13 6.145 5.502 -5.834
85 HG2 PRO 13 1HG PRO 13 4.328 6.163 -3.932
86 HG3 PRO 13 2HG PRO 13 3.887 5.014 -5.242
87 HD2 PRO 13 1HD PRO 13 4.760 4.385 -2.408
88 HD3 PRO 13 2HD PRO 13 3.378 3.741 -3.352
89 H THR 14 H THR 14 7.222 3.109 -2.419
90 HA THR 14 HA THR 14 9.902 4.002 -2.818
91 HB THR 14 HB THR 14 8.774 2.338 -0.546
92 HG1 THR 14 1HG THR 14 8.514 4.364 0.406
93 HG21 THR 14 3HG2 THR 14 10.566 3.450 0.800
94 HG22 THR 14 1HG2 THR 14 11.247 4.122 -0.698
95 HG23 THR 14 2HG2 THR 14 11.226 2.364 -0.426
96 H ASP 15 H ASP 15 11.766 3.029 -3.363
97 HA ASP 15 HA ASP 15 11.788 0.421 -4.533
98 HB2 ASP 15 1HB ASP 15 13.258 2.238 -5.263
99 HB3 ASP 15 2HB ASP 15 14.069 2.245 -3.694
100 H GLY 16 H GLY 16 12.320 -1.553 -3.774
101 HA2 GLY 16 1HA GLY 16 12.993 -3.248 -2.370
102 HA3 GLY 16 2HA GLY 16 13.792 -2.064 -1.335
103 H CYS 17 H CYS 17 10.632 -1.006 -1.518
104 HA CYS 17 HA CYS 17 9.888 -2.102 1.073
105 HB2 CYS 17 1HB CYS 17 9.554 0.252 0.436
106 HB3 CYS 17 2HB CYS 17 8.440 -0.255 -0.848
107 H ASP 18 H ASP 18 8.692 -2.242 -2.092
108 HA ASP 18 HA ASP 18 7.198 -3.414 -3.301
109 HB2 ASP 18 1HB ASP 18 7.611 -5.724 -3.564
110 HB3 ASP 18 2HB ASP 18 9.116 -4.877 -3.286
111 H TYR 19 H TYR 19 6.201 -2.844 -0.362
112 HA TYR 19 HA TYR 19 4.119 -4.603 0.275
113 HB2 TYR 19 1HB TYR 19 4.840 -2.836 1.754
114 HB3 TYR 19 2HB TYR 19 4.422 -1.600 0.585
115 HD1 TYR 19 2HD TYR 19 3.049 -4.054 3.006
116 HD2 TYR 19 1HD TYR 19 2.118 -0.766 0.353
117 HE1 TYR 19 2HE TYR 19 0.817 -3.788 4.087
118 HE2 TYR 19 1HE TYR 19 -0.074 -0.502 1.441
119 HH TYR 19 HH TYR 19 -1.472 -1.208 3.131
120 H SER 20 H SER 20 2.003 -4.854 -0.283
121 HA SER 20 HA SER 20 0.697 -2.892 -1.987
122 HB2 SER 20 1HB SER 20 -0.335 -4.790 -3.425
123 HB3 SER 20 2HB SER 20 1.257 -4.183 -3.816
124 HG SER 20 HG SER 20 0.671 -6.565 -2.347
125 H THR 21 H THR 21 -1.515 -2.940 -2.083
126 HA THR 21 HA THR 21 -3.081 -4.724 -0.340
127 HB THR 21 HB THR 21 -2.354 -3.093 1.258
128 HG1 THR 21 1HG THR 21 -4.271 -2.552 1.983
129 HG21 THR 21 3HG2 THR 21 -3.442 -0.910 -0.567
130 HG22 THR 21 1HG2 THR 21 -1.723 -1.204 -0.231
131 HG23 THR 21 2HG2 THR 21 -2.799 -0.704 1.077
132 HA PRO 22 HA PRO 22 -5.899 -3.797 -3.650
133 HB2 PRO 22 1HB PRO 22 -8.288 -4.742 -2.749
134 HB3 PRO 22 2HB PRO 22 -6.895 -5.810 -3.102
135 HG2 PRO 22 1HG PRO 22 -7.718 -4.664 -0.407
136 HG3 PRO 22 2HG PRO 22 -7.384 -6.379 -0.819
137 HD2 PRO 22 1HD PRO 22 -5.488 -4.799 0.292
138 HD3 PRO 22 2HD PRO 22 -5.060 -5.985 -0.968
139 H ASP 23 H ASP 23 -5.970 -1.956 -0.817
140 HA ASP 23 HA ASP 23 -8.248 -0.250 -1.755
141 HB2 ASP 23 1HB ASP 23 -8.415 -1.461 0.519
142 HB3 ASP 23 2HB ASP 23 -7.100 -0.447 1.009
143 H LYS 24 H LYS 24 -7.868 1.806 -2.340
144 HA LYS 24 HA LYS 24 -5.191 2.841 -2.495
145 HB2 LYS 24 1HB LYS 24 -6.161 4.759 -3.558
146 HB3 LYS 24 2HB LYS 24 -6.939 3.297 -4.162
147 HG2 LYS 24 1HG LYS 24 -8.894 3.742 -2.645
148 HG3 LYS 24 2HG LYS 24 -8.104 5.239 -2.109
149 HD2 LYS 24 1HD LYS 24 -8.109 6.083 -4.437
150 HD3 LYS 24 2HD LYS 24 -8.911 4.588 -4.976
151 HE2 LYS 24 1HE LYS 24 -10.827 5.088 -3.470
152 HE3 LYS 24 2HE LYS 24 -10.024 6.576 -2.950
153 HZ1 LYS 24 3HZ LYS 24 -10.910 6.004 -5.727
154 HZ2 LYS 24 1HZ LYS 24 -10.155 7.373 -5.250
155 HZ3 LYS 24 2HZ LYS 24 -11.645 7.025 -4.688
156 H TYR 25 H TYR 25 -7.541 3.182 0.071
157 HA TYR 25 HA TYR 25 -6.132 5.517 1.232
158 HB2 TYR 25 1HB TYR 25 -8.502 3.965 2.303
159 HB3 TYR 25 2HB TYR 25 -7.832 5.448 2.950
160 HD1 TYR 25 1HD TYR 25 -7.905 7.582 1.561
161 HD2 TYR 25 2HD TYR 25 -10.076 4.014 0.475
162 HE1 TYR 25 1HE TYR 25 -9.397 8.937 0.098
163 HE2 TYR 25 2HE TYR 25 -11.585 5.376 -0.967
164 HH TYR 25 HH TYR 25 -11.196 8.922 -1.325
165 H LYS 26 H LYS 26 -6.508 1.989 1.777
166 HA LYS 26 HA LYS 26 -4.802 1.870 4.119
167 HB2 LYS 26 1HB LYS 26 -5.197 -0.226 1.950
168 HB3 LYS 26 2HB LYS 26 -4.432 -0.495 3.504
169 HG2 LYS 26 1HG LYS 26 -6.549 0.118 4.670
170 HG3 LYS 26 2HG LYS 26 -7.354 0.290 3.123
171 HD2 LYS 26 1HD LYS 26 -6.746 -2.118 2.614
172 HD3 LYS 26 2HD LYS 26 -6.094 -2.262 4.244
173 HE2 LYS 26 1HE LYS 26 -8.978 -1.513 3.562
174 HE3 LYS 26 2HE LYS 26 -8.432 -3.147 3.944
175 HZ1 LYS 26 3HZ LYS 26 -8.293 -0.836 5.807
176 HZ2 LYS 26 1HZ LYS 26 -7.751 -2.344 6.145
177 HZ3 LYS 26 2HZ LYS 26 -9.340 -2.079 5.905
178 H LEU 27 H LEU 27 -4.019 1.863 0.623
179 HA LEU 27 HA LEU 27 -1.187 1.604 0.990
180 HB2 LEU 27 1HB LEU 27 -2.343 1.238 -1.162
181 HB3 LEU 27 2HB LEU 27 -2.749 2.957 -1.236
182 HG LEU 27 HG LEU 27 -0.359 3.550 -1.403
183 HD11 LEU 27 1HD1 LEU 27 0.722 1.758 -0.131
184 HD12 LEU 27 2HD1 LEU 27 1.327 1.750 -1.782
185 HD13 LEU 27 3HD1 LEU 27 0.131 0.536 -1.289
186 HD21 LEU 27 3HD2 LEU 27 0.061 2.675 -3.623
187 HD22 LEU 27 1HD2 LEU 27 -1.674 2.994 -3.455
188 HD23 LEU 27 2HD2 LEU 27 -1.058 1.327 -3.345
189 H GLN 28 H GLN 28 -3.227 4.590 0.709
190 HA GLN 28 HA GLN 28 -1.124 6.485 1.039
191 HB2 GLN 28 1HB GLN 28 -4.098 6.499 1.666
192 HB3 GLN 28 2HB GLN 28 -3.074 7.892 2.043
193 HG2 GLN 28 1HG GLN 28 -2.356 8.114 -0.202
194 HG3 GLN 28 2HG GLN 28 -3.155 6.636 -0.727
195 HE21 GLN 28 1HE2 GLN 28 -5.461 6.591 -0.916
196 HE22 GLN 28 2HE2 GLN 28 -6.400 8.091 -0.984
197 H ALA 29 H ALA 29 -3.120 4.911 3.498
198 HA ALA 29 HA ALA 29 -1.839 5.983 5.808
199 HB1 ALA 29 1HB ALA 29 -3.163 3.262 5.446
200 HB2 ALA 29 2HB ALA 29 -2.848 4.081 6.988
201 HB3 ALA 29 3HB ALA 29 -3.996 4.785 5.834
202 H HIS 30 H HIS 30 -0.762 3.322 3.678
203 HA HIS 30 HA HIS 30 1.520 2.632 5.399
204 HB2 HIS 30 1HB HIS 30 0.594 0.904 4.025
205 HB3 HIS 30 2HB HIS 30 0.746 1.868 2.564
206 HD1 HIS 30 1HD HIS 30 2.929 -0.192 4.939
207 HD2 HIS 30 2HD HIS 30 3.160 2.142 1.454
208 HE1 HIS 30 1HE HIS 30 5.270 -0.545 4.028
209 H LEU 31 H LEU 31 1.053 4.826 2.554
210 HA LEU 31 HA LEU 31 3.794 5.406 2.121
211 HB2 LEU 31 1HB LEU 31 1.490 7.379 1.950
212 HB3 LEU 31 2HB LEU 31 3.082 7.590 1.246
213 HG LEU 31 HG LEU 31 0.991 5.563 0.393
214 HD11 LEU 31 1HD1 LEU 31 0.584 7.890 -0.305
215 HD12 LEU 31 2HD1 LEU 31 0.960 6.838 -1.679
216 HD13 LEU 31 3HD1 LEU 31 2.198 7.945 -1.046
217 HD21 LEU 31 3HD2 LEU 31 3.191 4.523 0.104
218 HD22 LEU 31 1HD2 LEU 31 3.790 5.989 -0.712
219 HD23 LEU 31 2HD2 LEU 31 2.511 4.994 -1.453
220 H LYS 32 H LYS 32 1.664 6.668 4.649
221 HA LYS 32 HA LYS 32 3.394 8.633 5.779
222 HB2 LYS 32 1HB LYS 32 1.296 6.867 7.105
223 HB3 LYS 32 2HB LYS 32 2.067 8.266 7.862
224 HG2 LYS 32 1HG LYS 32 1.184 9.749 6.089
225 HG3 LYS 32 2HG LYS 32 0.377 8.369 5.326
226 HD2 LYS 32 1HD LYS 32 -0.957 7.999 7.388
227 HD3 LYS 32 2HD LYS 32 -0.161 9.400 8.143
228 HE2 LYS 32 1HE LYS 32 -1.021 10.856 6.310
229 HE3 LYS 32 2HE LYS 32 -1.837 9.463 5.590
230 HZ1 LYS 32 3HZ LYS 32 -3.355 10.763 6.975
231 HZ2 LYS 32 1HZ LYS 32 -2.413 10.570 8.291
232 HZ3 LYS 32 2HZ LYS 32 -3.171 9.280 7.631
233 H VAL 33 H VAL 33 3.691 5.146 5.936
234 HA VAL 33 HA VAL 33 5.346 5.046 8.299
235 HB VAL 33 HB VAL 33 4.049 3.163 6.869
236 HG11 VAL 33 1HG1 VAL 33 5.729 3.177 4.979
237 HG12 VAL 33 2HG1 VAL 33 6.956 2.610 6.129
238 HG13 VAL 33 3HG1 VAL 33 5.532 1.616 5.784
239 HG21 VAL 33 3HG2 VAL 33 6.481 2.639 8.588
240 HG22 VAL 33 1HG2 VAL 33 4.815 2.929 9.152
241 HG23 VAL 33 2HG2 VAL 33 5.177 1.487 8.192
242 H HIS 34 H HIS 34 5.989 5.942 5.003
243 HA HIS 34 HA HIS 34 8.921 5.733 5.304
244 HB2 HIS 34 1HB HIS 34 7.172 6.612 2.979
245 HB3 HIS 34 2HB HIS 34 8.925 6.448 2.938
246 HD1 HIS 34 1HD HIS 34 9.735 3.775 3.750
247 HD2 HIS 34 2HD HIS 34 5.930 4.476 2.100
248 HE1 HIS 34 1HE HIS 34 8.917 1.519 2.935
249 H THR 35 H THR 35 6.453 8.211 5.643
250 HA THR 35 HA THR 35 8.472 10.390 5.608
251 HB THR 35 HB THR 35 6.561 11.896 5.955
252 HG1 THR 35 1HG THR 35 5.039 10.721 6.968
253 HG21 THR 35 3HG2 THR 35 6.088 9.943 3.660
254 HG22 THR 35 1HG2 THR 35 7.264 11.279 3.650
255 HG23 THR 35 2HG2 THR 35 5.529 11.624 3.770
256 H ALA 36 H ALA 36 6.591 8.518 7.958
257 HA ALA 36 HA ALA 36 7.304 10.131 10.250
258 HB1 ALA 36 1HB ALA 36 6.424 8.210 11.520
259 HB2 ALA 36 2HB ALA 36 5.330 8.655 10.196
260 HB3 ALA 36 3HB ALA 36 6.387 7.232 10.037
261 H LEU 37 H LEU 37 8.683 9.465 12.013
262 HA LEU 37 HA LEU 37 10.917 7.632 11.497
263 HB2 LEU 37 1HB LEU 37 11.214 10.586 12.196
264 HB3 LEU 37 2HB LEU 37 12.502 9.406 12.386
265 HG LEU 37 HG LEU 37 11.223 10.132 9.713
266 HD11 LEU 37 1HD1 LEU 37 13.899 10.943 10.921
267 HD12 LEU 37 2HD1 LEU 37 12.490 12.004 10.690
268 HD13 LEU 37 3HD1 LEU 37 13.323 11.328 9.283
269 HD21 LEU 37 3HD2 LEU 37 13.198 8.970 8.752
270 HD22 LEU 37 1HD2 LEU 37 12.198 7.857 9.684
271 HD23 LEU 37 2HD2 LEU 37 13.708 8.481 10.382
272 H ASP 38 H ASP 38 11.759 6.809 13.314
273 HA ASP 38 HA ASP 38 10.836 7.594 16.023
274 HB2 ASP 38 1HB ASP 38 9.192 5.941 15.235
275 HB3 ASP 38 2HB ASP 38 10.482 4.807 14.852
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -22.631 0.664 -21.020
2 H2 GLY 1 2H GLY 1 -22.981 1.262 -19.533
3 H3 GLY 1 3H GLY 1 -22.974 -0.358 -19.787
4 HA2 GLY 1 1HA GLY 1 -20.618 1.410 -19.926
5 HA3 GLY 1 2HA GLY 1 -20.988 0.295 -18.600
6 H SER 2 H SER 2 -18.744 -0.393 -19.219
7 HA SER 2 HA SER 2 -18.772 -2.582 -21.257
8 HB2 SER 2 1HB SER 2 -16.556 -0.534 -20.853
9 HB3 SER 2 2HB SER 2 -16.481 -1.952 -21.914
10 HG SER 2 HG SER 2 -17.052 -0.035 -23.051
11 H SER 3 H SER 3 -17.242 -4.263 -20.905
12 HA SER 3 HA SER 3 -16.786 -4.943 -18.117
13 HB2 SER 3 1HB SER 3 -17.370 -6.574 -19.931
14 HB3 SER 3 2HB SER 3 -15.736 -6.352 -20.592
15 HG SER 3 HG SER 3 -15.909 -8.153 -19.140
16 H GLY 4 H GLY 4 -14.742 -5.464 -17.151
17 HA2 GLY 4 1HA GLY 4 -12.180 -4.801 -18.171
18 HA3 GLY 4 2HA GLY 4 -12.782 -3.404 -17.276
19 H SER 5 H SER 5 -10.550 -4.399 -16.328
20 HA SER 5 HA SER 5 -10.784 -6.563 -14.444
21 HB2 SER 5 1HB SER 5 -8.675 -4.384 -14.643
22 HB3 SER 5 2HB SER 5 -8.541 -5.901 -13.735
23 HG SER 5 HG SER 5 -7.554 -6.027 -15.817
24 H SER 6 H SER 6 -10.971 -6.596 -12.251
25 HA SER 6 HA SER 6 -11.420 -4.090 -10.702
26 HB2 SER 6 1HB SER 6 -13.313 -6.474 -10.787
27 HB3 SER 6 2HB SER 6 -13.403 -5.141 -9.623
28 HG SER 6 HG SER 6 -14.813 -4.845 -11.422
29 H GLY 7 H GLY 7 -11.125 -4.302 -8.436
30 HA2 GLY 7 1HA GLY 7 -10.258 -5.128 -6.475
31 HA3 GLY 7 2HA GLY 7 -10.487 -6.763 -7.103
32 H ILE 8 H ILE 8 -8.440 -4.629 -8.957
33 HA ILE 8 HA ILE 8 -6.192 -6.413 -8.694
34 HB ILE 8 HB ILE 8 -6.396 -3.737 -10.116
35 HG12 ILE 8 1HG1 ILE 8 -8.090 -5.169 -11.062
36 HG13 ILE 8 2HG1 ILE 8 -6.758 -5.032 -12.187
37 HG21 ILE 8 1HG2 ILE 8 -4.366 -5.997 -10.386
38 HG22 ILE 8 2HG2 ILE 8 -4.521 -4.638 -11.518
39 HG23 ILE 8 3HG2 ILE 8 -4.067 -4.331 -9.845
40 HD11 ILE 8 3HD1 ILE 8 -7.614 -7.324 -12.134
41 HD12 ILE 8 1HD1 ILE 8 -5.954 -7.304 -11.522
42 HD13 ILE 8 2HD1 ILE 8 -7.325 -7.441 -10.395
43 H LEU 9 H LEU 9 -4.326 -6.159 -7.719
44 HA LEU 9 HA LEU 9 -4.172 -4.627 -5.307
45 HB2 LEU 9 1HB LEU 9 -2.163 -6.309 -6.852
46 HB3 LEU 9 2HB LEU 9 -1.703 -5.437 -5.409
47 HG LEU 9 HG LEU 9 -2.102 -7.767 -4.936
48 HD11 LEU 9 1HD1 LEU 9 -2.523 -6.064 -3.186
49 HD12 LEU 9 2HD1 LEU 9 -3.491 -7.532 -2.975
50 HD13 LEU 9 3HD1 LEU 9 -4.253 -6.071 -3.630
51 HD21 LEU 9 3HD2 LEU 9 -5.044 -7.348 -5.583
52 HD22 LEU 9 1HD2 LEU 9 -4.269 -8.817 -4.967
53 HD23 LEU 9 2HD2 LEU 9 -3.887 -8.247 -6.600
54 H LEU 10 H LEU 10 -3.422 -2.727 -4.836
55 HA LEU 10 HA LEU 10 -1.927 -1.036 -6.763
56 HB2 LEU 10 1HB LEU 10 -2.922 -0.345 -3.979
57 HB3 LEU 10 2HB LEU 10 -2.384 0.762 -5.238
58 HG LEU 10 HG LEU 10 -4.949 -0.894 -5.329
59 HD11 LEU 10 1HD1 LEU 10 -4.502 2.077 -4.835
60 HD12 LEU 10 2HD1 LEU 10 -4.967 0.868 -3.615
61 HD13 LEU 10 3HD1 LEU 10 -6.071 1.243 -4.948
62 HD21 LEU 10 3HD2 LEU 10 -5.534 0.562 -7.242
63 HD22 LEU 10 1HD2 LEU 10 -4.099 -0.409 -7.598
64 HD23 LEU 10 2HD2 LEU 10 -3.924 1.312 -7.174
65 H LYS 11 H LYS 11 0.161 -0.185 -6.117
66 HA LYS 11 HA LYS 11 1.603 -1.835 -4.060
67 HB2 LYS 11 1HB LYS 11 2.539 -1.086 -6.857
68 HB3 LYS 11 2HB LYS 11 3.521 -1.881 -5.620
69 HG2 LYS 11 1HG LYS 11 1.922 -3.795 -5.588
70 HG3 LYS 11 2HG LYS 11 0.987 -3.026 -6.883
71 HD2 LYS 11 1HD LYS 11 2.980 -3.092 -8.362
72 HD3 LYS 11 2HD LYS 11 3.908 -3.888 -7.071
73 HE2 LYS 11 1HE LYS 11 2.284 -5.770 -7.071
74 HE3 LYS 11 2HE LYS 11 1.359 -4.978 -8.353
75 HZ1 LYS 11 3HZ LYS 11 3.318 -5.173 -9.795
76 HZ2 LYS 11 1HZ LYS 11 2.874 -6.648 -9.257
77 HZ3 LYS 11 2HZ LYS 11 4.173 -5.907 -8.609
78 H CYS 12 H CYS 12 3.276 -0.968 -2.963
79 HA CYS 12 HA CYS 12 3.307 1.856 -2.494
80 HB2 CYS 12 1HB CYS 12 3.738 0.031 -0.870
81 HB3 CYS 12 2HB CYS 12 5.283 -0.295 -1.679
82 HA PRO 13 HA PRO 13 6.176 2.803 -5.838
83 HB2 PRO 13 1HB PRO 13 6.441 5.485 -5.534
84 HB3 PRO 13 2HB PRO 13 4.879 4.736 -5.984
85 HG2 PRO 13 1HG PRO 13 5.809 5.562 -3.209
86 HG3 PRO 13 2HG PRO 13 4.265 5.979 -4.025
87 HD2 PRO 13 1HD PRO 13 4.486 3.874 -2.288
88 HD3 PRO 13 2HD PRO 13 3.405 3.813 -3.714
89 H THR 14 H THR 14 7.090 2.856 -2.544
90 HA THR 14 HA THR 14 9.705 4.121 -2.826
91 HB THR 14 HB THR 14 8.551 2.429 -0.583
92 HG1 THR 14 1HG THR 14 7.470 4.356 -0.856
93 HG21 THR 14 3HG2 THR 14 10.973 2.414 -0.348
94 HG22 THR 14 1HG2 THR 14 10.306 3.573 0.804
95 HG23 THR 14 2HG2 THR 14 11.061 4.161 -0.692
96 H ASP 15 H ASP 15 11.598 3.241 -3.445
97 HA ASP 15 HA ASP 15 11.626 0.753 -4.784
98 HB2 ASP 15 1HB ASP 15 13.009 2.735 -5.322
99 HB3 ASP 15 2HB ASP 15 13.948 2.483 -3.852
100 H GLY 16 H GLY 16 12.668 1.506 -1.489
101 HA2 GLY 16 1HA GLY 16 13.873 -1.116 -0.971
102 HA3 GLY 16 2HA GLY 16 13.609 0.189 0.184
103 H CYS 17 H CYS 17 10.688 -0.427 -1.404
104 HA CYS 17 HA CYS 17 9.635 -1.962 0.925
105 HB2 CYS 17 1HB CYS 17 9.071 0.477 0.506
106 HB3 CYS 17 2HB CYS 17 8.150 -0.076 -0.905
107 H ASP 18 H ASP 18 7.795 -3.269 0.544
108 HA ASP 18 HA ASP 18 7.607 -4.645 -2.112
109 HB2 ASP 18 1HB ASP 18 8.054 -5.953 0.600
110 HB3 ASP 18 2HB ASP 18 7.555 -6.831 -0.840
111 H TYR 19 H TYR 19 5.891 -2.909 0.016
112 HA TYR 19 HA TYR 19 3.675 -4.608 0.680
113 HB2 TYR 19 1HB TYR 19 4.350 -2.759 2.062
114 HB3 TYR 19 2HB TYR 19 4.113 -1.620 0.751
115 HD1 TYR 19 2HD TYR 19 2.433 -3.722 3.293
116 HD2 TYR 19 1HD TYR 19 1.859 -0.835 0.134
117 HE1 TYR 19 2HE TYR 19 0.113 -3.302 4.093
118 HE2 TYR 19 1HE TYR 19 -0.445 -0.405 0.955
119 HH TYR 19 HH TYR 19 -1.811 -2.105 3.798
120 H SER 20 H SER 20 1.678 -4.849 -0.124
121 HA SER 20 HA SER 20 0.641 -3.113 -2.229
122 HB2 SER 20 1HB SER 20 -0.048 -4.947 -3.696
123 HB3 SER 20 2HB SER 20 1.714 -4.888 -3.531
124 HG SER 20 HG SER 20 0.965 -7.027 -3.336
125 H THR 21 H THR 21 -1.626 -3.201 -2.500
126 HA THR 21 HA THR 21 -3.324 -4.793 -0.723
127 HB THR 21 HB THR 21 -2.602 -3.145 0.877
128 HG1 THR 21 1HG THR 21 -4.534 -2.512 1.512
129 HG21 THR 21 3HG2 THR 21 -1.922 -1.294 -0.672
130 HG22 THR 21 1HG2 THR 21 -2.980 -0.755 0.640
131 HG23 THR 21 2HG2 THR 21 -3.637 -0.970 -0.993
132 HA PRO 22 HA PRO 22 -6.103 -3.545 -4.056
133 HB2 PRO 22 1HB PRO 22 -8.510 -4.449 -3.185
134 HB3 PRO 22 2HB PRO 22 -7.185 -5.559 -3.652
135 HG2 PRO 22 1HG PRO 22 -7.926 -4.620 -0.858
136 HG3 PRO 22 2HG PRO 22 -7.660 -6.303 -1.421
137 HD2 PRO 22 1HD PRO 22 -5.709 -4.846 -0.193
138 HD3 PRO 22 2HD PRO 22 -5.321 -6.002 -1.487
139 H ASP 23 H ASP 23 -6.084 -2.102 -0.942
140 HA ASP 23 HA ASP 23 -8.359 -0.267 -1.537
141 HB2 ASP 23 1HB ASP 23 -8.211 -1.743 0.599
142 HB3 ASP 23 2HB ASP 23 -6.934 -0.683 1.075
143 H LYS 24 H LYS 24 -7.924 1.745 -2.228
144 HA LYS 24 HA LYS 24 -5.313 2.951 -2.215
145 HB2 LYS 24 1HB LYS 24 -6.371 4.892 -3.134
146 HB3 LYS 24 2HB LYS 24 -7.065 3.456 -3.881
147 HG2 LYS 24 1HG LYS 24 -9.068 3.665 -2.382
148 HG3 LYS 24 2HG LYS 24 -8.359 5.132 -1.672
149 HD2 LYS 24 1HD LYS 24 -8.345 6.206 -3.910
150 HD3 LYS 24 2HD LYS 24 -9.097 4.750 -4.603
151 HE2 LYS 24 1HE LYS 24 -11.043 5.046 -3.084
152 HE3 LYS 24 2HE LYS 24 -10.289 6.493 -2.400
153 HZ1 LYS 24 3HZ LYS 24 -11.899 7.074 -4.120
154 HZ2 LYS 24 1HZ LYS 24 -11.111 6.188 -5.240
155 HZ3 LYS 24 2HZ LYS 24 -10.409 7.521 -4.607
156 H TYR 25 H TYR 25 -7.807 2.954 0.250
157 HA TYR 25 HA TYR 25 -6.586 5.240 1.666
158 HB2 TYR 25 1HB TYR 25 -8.832 3.363 2.495
159 HB3 TYR 25 2HB TYR 25 -8.324 4.802 3.358
160 HD1 TYR 25 1HD TYR 25 -8.566 7.089 2.264
161 HD2 TYR 25 2HD TYR 25 -10.399 3.524 0.668
162 HE1 TYR 25 1HE TYR 25 -10.175 8.488 0.967
163 HE2 TYR 25 2HE TYR 25 -12.025 4.919 -0.591
164 HH TYR 25 HH TYR 25 -12.757 7.044 -1.058
165 H LYS 26 H LYS 26 -6.369 1.720 1.739
166 HA LYS 26 HA LYS 26 -4.798 1.666 4.239
167 HB2 LYS 26 1HB LYS 26 -5.058 -0.431 2.055
168 HB3 LYS 26 2HB LYS 26 -4.268 -0.650 3.605
169 HG2 LYS 26 1HG LYS 26 -6.411 -0.168 4.787
170 HG3 LYS 26 2HG LYS 26 -7.233 -0.050 3.249
171 HD2 LYS 26 1HD LYS 26 -6.604 -2.445 2.763
172 HD3 LYS 26 2HD LYS 26 -5.765 -2.499 4.318
173 HE2 LYS 26 1HE LYS 26 -7.810 -3.485 4.825
174 HE3 LYS 26 2HE LYS 26 -7.998 -1.829 5.405
175 HZ1 LYS 26 3HZ LYS 26 -9.949 -2.482 4.172
176 HZ2 LYS 26 1HZ LYS 26 -9.086 -2.948 2.874
177 HZ3 LYS 26 2HZ LYS 26 -9.198 -1.362 3.248
178 H LEU 27 H LEU 27 -4.093 1.673 0.721
179 HA LEU 27 HA LEU 27 -1.273 1.659 1.004
180 HB2 LEU 27 1HB LEU 27 -2.455 1.205 -1.114
181 HB3 LEU 27 2HB LEU 27 -2.966 2.892 -1.186
182 HG LEU 27 HG LEU 27 -0.641 3.637 -1.454
183 HD11 LEU 27 1HD1 LEU 27 1.179 1.989 -1.830
184 HD12 LEU 27 2HD1 LEU 27 0.098 0.678 -1.317
185 HD13 LEU 27 3HD1 LEU 27 0.601 1.948 -0.170
186 HD21 LEU 27 3HD2 LEU 27 -1.961 2.932 -3.451
187 HD22 LEU 27 1HD2 LEU 27 -1.226 1.315 -3.315
188 HD23 LEU 27 2HD2 LEU 27 -0.212 2.730 -3.662
189 H GLN 28 H GLN 28 -3.439 4.576 0.644
190 HA GLN 28 HA GLN 28 -1.313 6.435 0.768
191 HB2 GLN 28 1HB GLN 28 -2.914 8.084 0.938
192 HB3 GLN 28 2HB GLN 28 -3.780 6.729 0.210
193 HG2 GLN 28 1HG GLN 28 -4.769 6.208 2.426
194 HG3 GLN 28 2HG GLN 28 -4.045 7.692 3.056
195 HE21 GLN 28 1HE2 GLN 28 -5.928 6.723 0.088
196 HE22 GLN 28 2HE2 GLN 28 -7.031 8.093 0.206
197 H ALA 29 H ALA 29 -3.019 4.836 3.406
198 HA ALA 29 HA ALA 29 -1.744 6.371 5.446
199 HB1 ALA 29 1HB ALA 29 -3.144 3.664 5.558
200 HB2 ALA 29 2HB ALA 29 -2.744 4.680 6.963
201 HB3 ALA 29 3HB ALA 29 -3.910 5.257 5.751
202 H HIS 30 H HIS 30 -0.832 3.440 3.661
203 HA HIS 30 HA HIS 30 1.515 2.807 5.322
204 HB2 HIS 30 1HB HIS 30 0.374 1.036 4.134
205 HB3 HIS 30 2HB HIS 30 0.547 1.870 2.593
206 HD1 HIS 30 1HD HIS 30 2.663 -0.145 5.077
207 HD2 HIS 30 2HD HIS 30 2.926 1.878 1.404
208 HE1 HIS 30 1HE HIS 30 4.948 -0.725 4.130
209 H LEU 31 H LEU 31 0.976 4.808 2.351
210 HA LEU 31 HA LEU 31 3.691 5.217 1.680
211 HB2 LEU 31 1HB LEU 31 1.482 7.293 1.696
212 HB3 LEU 31 2HB LEU 31 3.002 7.452 0.842
213 HG LEU 31 HG LEU 31 0.782 5.492 0.187
214 HD11 LEU 31 1HD1 LEU 31 0.397 7.834 -0.485
215 HD12 LEU 31 2HD1 LEU 31 0.614 6.763 -1.879
216 HD13 LEU 31 3HD1 LEU 31 1.943 7.828 -1.364
217 HD21 LEU 31 3HD2 LEU 31 2.136 4.879 -1.783
218 HD22 LEU 31 1HD2 LEU 31 2.908 4.379 -0.278
219 HD23 LEU 31 2HD2 LEU 31 3.496 5.826 -1.131
220 H LYS 32 H LYS 32 1.904 6.601 4.376
221 HA LYS 32 HA LYS 32 3.798 8.589 5.208
222 HB2 LYS 32 1HB LYS 32 1.704 7.066 6.815
223 HB3 LYS 32 2HB LYS 32 2.549 8.519 7.353
224 HG2 LYS 32 1HG LYS 32 1.581 9.825 5.509
225 HG3 LYS 32 2HG LYS 32 0.742 8.389 4.896
226 HD2 LYS 32 1HD LYS 32 -0.483 8.188 7.054
227 HD3 LYS 32 2HD LYS 32 0.269 9.683 7.620
228 HE2 LYS 32 1HE LYS 32 -1.469 9.424 5.116
229 HE3 LYS 32 2HE LYS 32 -2.070 9.927 6.699
230 HZ1 LYS 32 3HZ LYS 32 -0.554 11.835 6.607
231 HZ2 LYS 32 1HZ LYS 32 -1.575 11.852 5.336
232 HZ3 LYS 32 2HZ LYS 32 -0.025 11.396 5.122
233 H VAL 33 H VAL 33 3.891 5.074 5.701
234 HA VAL 33 HA VAL 33 5.452 5.112 8.097
235 HB VAL 33 HB VAL 33 5.877 2.865 7.802
236 HG11 VAL 33 1HG1 VAL 33 3.794 1.797 7.279
237 HG12 VAL 33 2HG1 VAL 33 3.563 3.272 8.243
238 HG13 VAL 33 3HG1 VAL 33 3.214 3.279 6.507
239 HG21 VAL 33 3HG2 VAL 33 5.460 3.036 4.847
240 HG22 VAL 33 1HG2 VAL 33 6.937 2.625 5.724
241 HG23 VAL 33 2HG2 VAL 33 5.562 1.525 5.767
242 H HIS 34 H HIS 34 6.333 5.640 4.788
243 HA HIS 34 HA HIS 34 9.186 5.221 5.152
244 HB2 HIS 34 1HB HIS 34 7.557 6.283 2.814
245 HB3 HIS 34 2HB HIS 34 9.269 5.853 2.763
246 HD1 HIS 34 1HD HIS 34 9.726 3.146 3.582
247 HD2 HIS 34 2HD HIS 34 5.854 4.284 2.405
248 HE1 HIS 34 1HE HIS 34 8.462 0.988 3.160
249 H THR 35 H THR 35 7.320 7.740 6.205
250 HA THR 35 HA THR 35 9.252 9.913 5.716
251 HB THR 35 HB THR 35 7.934 11.223 7.261
252 HG1 THR 35 1HG THR 35 6.204 9.002 7.568
253 HG21 THR 35 3HG2 THR 35 6.106 9.708 5.349
254 HG22 THR 35 1HG2 THR 35 7.132 11.100 4.943
255 HG23 THR 35 2HG2 THR 35 5.794 11.294 6.089
256 H ALA 36 H ALA 36 9.223 7.206 7.722
257 HA ALA 36 HA ALA 36 11.373 8.257 9.475
258 HB1 ALA 36 1HB ALA 36 9.196 8.493 10.671
259 HB2 ALA 36 2HB ALA 36 8.884 6.761 10.427
260 HB3 ALA 36 3HB ALA 36 10.240 7.293 11.446
261 H LEU 37 H LEU 37 12.028 6.199 10.917
262 HA LEU 37 HA LEU 37 13.112 4.253 11.087
263 HB2 LEU 37 1HB LEU 37 11.071 3.132 9.155
264 HB3 LEU 37 2HB LEU 37 12.023 2.235 10.325
265 HG LEU 37 HG LEU 37 9.851 4.266 11.005
266 HD11 LEU 37 1HD1 LEU 37 9.909 1.232 11.233
267 HD12 LEU 37 2HD1 LEU 37 8.993 2.174 10.034
268 HD13 LEU 37 3HD1 LEU 37 8.589 2.304 11.754
269 HD21 LEU 37 3HD2 LEU 37 11.491 2.439 12.817
270 HD22 LEU 37 1HD2 LEU 37 10.082 3.401 13.319
271 HD23 LEU 37 2HD2 LEU 37 11.554 4.217 12.784
272 H ASP 38 H ASP 38 13.725 5.979 8.522
273 HA ASP 38 HA ASP 38 15.964 4.269 7.643
274 HB2 ASP 38 1HB ASP 38 14.151 3.752 6.048
275 HB3 ASP 38 2HB ASP 38 13.946 5.465 5.701