NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504645 |
2emj   |
10204 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -4.426 -28.858 -23.370
2 HA2 GLY 1 1HA GLY 1 -6.429 -28.227 -21.345
3 HA3 GLY 1 2HA GLY 1 -5.096 -29.360 -21.174
4 H SER 2 H SER 2 -6.114 -26.054 -20.881
5 HA SER 2 HA SER 2 -3.503 -25.373 -19.697
6 HB2 SER 2 1HB SER 2 -4.358 -24.066 -21.745
7 HB3 SER 2 2HB SER 2 -5.532 -23.353 -20.639
8 HG SER 2 HG SER 2 -3.067 -22.578 -21.028
9 H SER 3 H SER 3 -3.796 -25.909 -17.587
10 HA SER 3 HA SER 3 -6.150 -24.825 -16.202
11 HB2 SER 3 1HB SER 3 -5.735 -27.259 -15.970
12 HB3 SER 3 2HB SER 3 -4.167 -26.905 -15.244
13 HG SER 3 HG SER 3 -5.700 -25.518 -13.799
14 H GLY 4 H GLY 4 -5.926 -23.631 -14.284
15 HA2 GLY 4 1HA GLY 4 -3.765 -23.015 -12.787
16 HA3 GLY 4 2HA GLY 4 -3.533 -22.006 -14.207
17 H SER 5 H SER 5 -5.831 -22.759 -11.620
18 HA SER 5 HA SER 5 -6.876 -20.015 -11.872
19 HB2 SER 5 1HB SER 5 -8.648 -21.555 -12.358
20 HB3 SER 5 2HB SER 5 -8.251 -22.545 -10.953
21 HG SER 5 HG SER 5 -9.569 -20.081 -11.090
22 H SER 6 H SER 6 -6.323 -18.701 -10.278
23 HA SER 6 HA SER 6 -6.412 -19.516 -7.531
24 HB2 SER 6 1HB SER 6 -4.124 -20.288 -8.446
25 HB3 SER 6 2HB SER 6 -3.714 -18.573 -8.479
26 HG SER 6 HG SER 6 -3.711 -18.512 -6.341
27 H GLY 7 H GLY 7 -5.639 -17.657 -6.083
28 HA2 GLY 7 1HA GLY 7 -5.641 -15.033 -7.290
29 HA3 GLY 7 2HA GLY 7 -7.119 -15.417 -6.422
30 H THR 8 H THR 8 -4.826 -13.477 -5.971
31 HA THR 8 HA THR 8 -4.319 -14.234 -3.168
32 HB THR 8 HB THR 8 -2.171 -12.995 -3.301
33 HG1 THR 8 HG1 THR 8 -1.567 -12.045 -5.120
34 HG21 THR 8 3HG2 THR 8 -1.284 -15.009 -3.634
35 HG22 THR 8 1HG2 THR 8 -1.515 -14.828 -5.373
36 HG23 THR 8 2HG2 THR 8 -2.784 -15.552 -4.385
37 H GLY 9 H GLY 9 -6.544 -12.734 -4.013
38 HA2 GLY 9 1HA GLY 9 -7.661 -10.779 -3.562
39 HA3 GLY 9 2HA GLY 9 -6.498 -10.581 -2.259
40 H GLU 10 H GLU 10 -7.282 -9.768 -5.564
41 HA GLU 10 HA GLU 10 -4.952 -8.075 -5.871
42 HB2 GLU 10 1HB GLU 10 -7.248 -8.874 -7.611
43 HB3 GLU 10 2HB GLU 10 -6.342 -7.423 -8.016
44 HG2 GLU 10 1HG GLU 10 -4.286 -8.718 -8.127
45 HG3 GLU 10 2HG GLU 10 -5.172 -10.177 -7.684
46 H LYS 11 H LYS 11 -5.513 -5.807 -6.888
47 HA LYS 11 HA LYS 11 -7.805 -4.468 -5.833
48 HB2 LYS 11 1HB LYS 11 -5.179 -4.267 -4.412
49 HB3 LYS 11 2HB LYS 11 -6.228 -2.858 -4.482
50 HG2 LYS 11 1HG LYS 11 -8.030 -4.596 -3.645
51 HG3 LYS 11 2HG LYS 11 -6.593 -5.430 -3.049
52 HD2 LYS 11 1HD LYS 11 -5.919 -3.247 -1.975
53 HD3 LYS 11 2HD LYS 11 -7.528 -2.645 -2.381
54 HE2 LYS 11 1HE LYS 11 -7.097 -5.174 -0.813
55 HE3 LYS 11 2HE LYS 11 -7.206 -3.592 -0.042
56 HZ1 LYS 11 3HZ LYS 11 -9.392 -3.873 -0.057
57 HZ2 LYS 11 1HZ LYS 11 -9.289 -5.257 -1.024
58 HZ3 LYS 11 2HZ LYS 11 -9.362 -3.728 -1.742
59 HA PRO 12 HA PRO 12 -6.813 -1.655 -9.054
60 HB2 PRO 12 1HB PRO 12 -7.922 0.641 -8.119
61 HB3 PRO 12 2HB PRO 12 -8.884 -0.717 -8.715
62 HG2 PRO 12 1HG PRO 12 -8.223 0.043 -5.896
63 HG3 PRO 12 2HG PRO 12 -9.768 -0.503 -6.575
64 HD2 PRO 12 1HD PRO 12 -8.117 -2.151 -5.200
65 HD3 PRO 12 2HD PRO 12 -9.148 -2.722 -6.528
66 H PHE 13 H PHE 13 -5.914 -0.792 -5.773
67 HA PHE 13 HA PHE 13 -3.862 1.038 -6.816
68 HB2 PHE 13 1HB PHE 13 -5.121 0.787 -4.083
69 HB3 PHE 13 2HB PHE 13 -3.703 1.782 -4.396
70 HD1 PHE 13 HD1 PHE 13 -3.900 3.657 -6.079
71 HD2 PHE 13 HD2 PHE 13 -7.273 1.587 -4.510
72 HE1 PHE 13 HE1 PHE 13 -5.357 5.518 -6.764
73 HE2 PHE 13 HE2 PHE 13 -8.734 3.444 -5.193
74 HZ PHE 13 HZ PHE 13 -7.777 5.413 -6.322
75 H GLU 14 H GLU 14 -2.477 -0.704 -7.446
76 HA GLU 14 HA GLU 14 -1.296 -2.221 -5.224
77 HB2 GLU 14 1HB GLU 14 -2.205 -3.412 -7.284
78 HB3 GLU 14 2HB GLU 14 -0.855 -2.712 -8.166
79 HG2 GLU 14 1HG GLU 14 0.597 -3.793 -6.320
80 HG3 GLU 14 2HG GLU 14 -0.832 -4.776 -6.009
81 H CYS 15 H CYS 15 0.942 -2.282 -4.918
82 HA CYS 15 HA CYS 15 2.353 0.046 -6.013
83 HB2 CYS 15 1HB CYS 15 2.343 0.070 -3.631
84 HB3 CYS 15 2HB CYS 15 2.796 -1.629 -3.543
85 H ALA 16 H ALA 16 3.861 -0.227 -7.509
86 HA ALA 16 HA ALA 16 4.907 -2.927 -7.983
87 HB1 ALA 16 3HB ALA 16 5.424 -2.225 -10.204
88 HB2 ALA 16 1HB ALA 16 3.780 -1.697 -9.844
89 HB3 ALA 16 2HB ALA 16 5.109 -0.537 -9.804
90 H GLU 17 H GLU 17 5.925 -1.413 -5.796
91 HA GLU 17 HA GLU 17 8.677 -0.920 -6.729
92 HB2 GLU 17 1HB GLU 17 7.128 0.458 -4.534
93 HB3 GLU 17 2HB GLU 17 8.870 0.605 -4.722
94 HG2 GLU 17 1HG GLU 17 7.048 1.245 -7.000
95 HG3 GLU 17 2HG GLU 17 7.322 2.418 -5.713
96 H CYS 18 H CYS 18 6.661 -2.062 -4.052
97 HA CYS 18 HA CYS 18 8.924 -3.731 -3.172
98 HB2 CYS 18 1HB CYS 18 8.184 -3.491 -0.872
99 HB3 CYS 18 2HB CYS 18 8.452 -1.897 -1.571
100 H GLY 19 H GLY 19 5.407 -3.416 -3.399
101 HA2 GLY 19 1HA GLY 19 4.334 -5.445 -4.406
102 HA3 GLY 19 2HA GLY 19 5.222 -6.359 -3.196
103 H LYS 20 H LYS 20 3.574 -3.276 -2.714
104 HA LYS 20 HA LYS 20 1.858 -4.604 -0.731
105 HB2 LYS 20 1HB LYS 20 2.898 -1.792 -0.968
106 HB3 LYS 20 2HB LYS 20 1.520 -2.170 0.056
107 HG2 LYS 20 1HG LYS 20 3.988 -3.786 0.387
108 HG3 LYS 20 2HG LYS 20 3.982 -2.129 0.994
109 HD2 LYS 20 1HD LYS 20 1.845 -2.699 2.201
110 HD3 LYS 20 2HD LYS 20 2.132 -4.382 1.755
111 HE2 LYS 20 1HE LYS 20 3.034 -4.205 3.900
112 HE3 LYS 20 2HE LYS 20 4.435 -4.071 2.839
113 HZ1 LYS 20 3HZ LYS 20 4.710 -2.368 4.375
114 HZ2 LYS 20 1HZ LYS 20 3.073 -1.941 4.365
115 HZ3 LYS 20 2HZ LYS 20 4.051 -1.571 3.036
116 H SER 21 H SER 21 -0.260 -3.229 -0.389
117 HA SER 21 HA SER 21 -1.389 -2.181 -2.835
118 HB2 SER 21 1HB SER 21 -3.234 -3.806 -2.938
119 HB3 SER 21 2HB SER 21 -1.676 -4.601 -3.164
120 HG SER 21 HG SER 21 -2.988 -5.752 -1.702
121 H PHE 22 H PHE 22 -3.601 -1.368 -2.514
122 HA PHE 22 HA PHE 22 -4.467 -1.064 0.246
123 HB2 PHE 22 1HB PHE 22 -3.872 1.342 -1.488
124 HB3 PHE 22 2HB PHE 22 -4.535 1.371 0.143
125 HD1 PHE 22 HD1 PHE 22 -1.535 0.832 -1.878
126 HD2 PHE 22 HD2 PHE 22 -3.135 0.982 2.064
127 HE1 PHE 22 HE1 PHE 22 0.745 0.929 -0.960
128 HE2 PHE 22 HE2 PHE 22 -0.857 1.080 2.988
129 HZ PHE 22 HZ PHE 22 1.087 1.054 1.476
130 H SER 23 H SER 23 -6.525 0.391 0.260
131 HA SER 23 HA SER 23 -8.288 -0.699 -1.790
132 HB2 SER 23 1HB SER 23 -8.817 0.681 0.846
133 HB3 SER 23 2HB SER 23 -10.099 0.237 -0.280
134 HG SER 23 HG SER 23 -8.219 -1.566 0.850
135 H ILE 24 H ILE 24 -7.606 2.460 -0.293
136 HA ILE 24 HA ILE 24 -8.745 3.750 -2.681
137 HB ILE 24 HB ILE 24 -8.928 5.791 -1.287
138 HG12 ILE 24 1HG1 ILE 24 -8.357 4.021 1.085
139 HG13 ILE 24 2HG1 ILE 24 -7.099 4.985 0.320
140 HG21 ILE 24 1HG2 ILE 24 -10.325 3.329 -0.252
141 HG22 ILE 24 2HG2 ILE 24 -10.815 4.985 0.104
142 HG23 ILE 24 3HG2 ILE 24 -10.865 4.388 -1.555
143 HD11 ILE 24 3HD1 ILE 24 -9.568 5.948 1.728
144 HD12 ILE 24 1HD1 ILE 24 -7.882 6.226 2.162
145 HD13 ILE 24 2HD1 ILE 24 -8.561 6.993 0.726
146 H SER 25 H SER 25 -7.714 6.022 -3.022
147 HA SER 25 HA SER 25 -5.005 5.600 -3.739
148 HB2 SER 25 1HB SER 25 -6.712 7.153 -4.861
149 HB3 SER 25 2HB SER 25 -6.335 8.302 -3.578
150 HG SER 25 HG SER 25 -4.493 7.172 -5.419
151 H SER 26 H SER 26 -6.434 7.935 -1.448
152 HA SER 26 HA SER 26 -4.321 9.118 -0.336
153 HB2 SER 26 1HB SER 26 -6.468 7.838 1.370
154 HB3 SER 26 2HB SER 26 -5.506 9.262 1.766
155 HG SER 26 HG SER 26 -7.629 8.985 -0.040
156 H GLN 27 H GLN 27 -5.348 5.819 0.485
157 HA GLN 27 HA GLN 27 -3.364 5.304 2.401
158 HB2 GLN 27 1HB GLN 27 -4.782 3.368 0.563
159 HB3 GLN 27 2HB GLN 27 -3.863 2.920 1.993
160 HG2 GLN 27 1HG GLN 27 -6.196 4.793 2.146
161 HG3 GLN 27 2HG GLN 27 -6.401 3.043 2.189
162 HE21 GLN 27 1HE2 GLN 27 -6.278 2.078 4.091
163 HE22 GLN 27 2HE2 GLN 27 -5.631 2.769 5.536
164 H LEU 28 H LEU 28 -3.445 4.614 -1.084
165 HA LEU 28 HA LEU 28 -0.924 3.377 -1.228
166 HB2 LEU 28 1HB LEU 28 -2.528 3.143 -3.006
167 HB3 LEU 28 2HB LEU 28 -2.508 4.880 -3.304
168 HG LEU 28 HG LEU 28 -0.118 4.648 -4.011
169 HD11 LEU 28 1HD1 LEU 28 -0.293 1.834 -4.618
170 HD12 LEU 28 2HD1 LEU 28 -0.367 2.118 -2.879
171 HD13 LEU 28 3HD1 LEU 28 0.993 2.736 -3.816
172 HD21 LEU 28 3HD2 LEU 28 -0.649 3.931 -6.203
173 HD22 LEU 28 1HD2 LEU 28 -2.110 4.679 -5.559
174 HD23 LEU 28 2HD2 LEU 28 -1.977 2.922 -5.630
175 H ALA 29 H ALA 29 -1.915 6.752 -1.556
176 HA ALA 29 HA ALA 29 0.525 7.819 -2.412
177 HB1 ALA 29 3HB ALA 29 -1.875 8.879 -2.100
178 HB2 ALA 29 1HB ALA 29 -1.177 9.412 -0.571
179 HB3 ALA 29 2HB ALA 29 -0.418 9.873 -2.095
180 H THR 30 H THR 30 -0.803 7.770 0.902
181 HA THR 30 HA THR 30 1.379 8.788 2.243
182 HB THR 30 HB THR 30 -0.425 6.593 3.280
183 HG1 THR 30 HG1 THR 30 -1.819 8.215 3.850
184 HG21 THR 30 3HG2 THR 30 0.857 6.755 5.102
185 HG22 THR 30 1HG2 THR 30 0.197 8.375 5.320
186 HG23 THR 30 2HG2 THR 30 1.718 8.152 4.457
187 H HIS 31 H HIS 31 1.121 5.799 0.621
188 HA HIS 31 HA HIS 31 3.294 4.560 2.115
189 HB2 HIS 31 1HB HIS 31 1.500 3.082 1.498
190 HB3 HIS 31 2HB HIS 31 1.594 3.588 -0.187
191 HD1 HIS 31 HD1 HIS 31 3.444 1.539 2.373
192 HD2 HIS 31 HD2 HIS 31 3.461 2.251 -1.720
193 HE1 HIS 31 HE1 HIS 31 4.992 -0.186 1.397
194 H GLN 32 H GLN 32 2.619 5.301 -1.311
195 HA GLN 32 HA GLN 32 4.980 4.770 -2.491
196 HB2 GLN 32 1HB GLN 32 3.032 6.999 -2.899
197 HB3 GLN 32 2HB GLN 32 4.536 7.008 -3.810
198 HG2 GLN 32 1HG GLN 32 2.556 4.741 -3.783
199 HG3 GLN 32 2HG GLN 32 2.655 5.985 -5.028
200 HE21 GLN 32 1HE2 GLN 32 2.859 3.410 -5.774
201 HE22 GLN 32 2HE2 GLN 32 4.481 3.035 -6.236
202 H ARG 33 H ARG 33 4.407 7.245 -0.140
203 HA ARG 33 HA ARG 33 6.441 9.040 -0.565
204 HB2 ARG 33 1HB ARG 33 5.781 7.989 2.181
205 HB3 ARG 33 2HB ARG 33 6.305 9.607 1.734
206 HG2 ARG 33 1HG ARG 33 4.061 9.547 0.330
207 HG3 ARG 33 2HG ARG 33 3.622 8.362 1.562
208 HD2 ARG 33 1HD ARG 33 4.823 10.977 2.369
209 HD3 ARG 33 2HD ARG 33 3.115 10.894 1.937
210 HE ARG 33 HE ARG 33 3.331 8.908 3.722
211 HH11 ARG 33 1HH1 ARG 33 4.419 12.214 3.787
212 HH12 ARG 33 2HH1 ARG 33 4.279 12.363 5.508
213 HH21 ARG 33 1HH2 ARG 33 3.141 9.092 5.987
214 HH22 ARG 33 2HH2 ARG 33 3.552 10.586 6.758
215 H ILE 34 H ILE 34 6.663 6.051 1.366
216 HA ILE 34 HA ILE 34 9.370 6.210 1.989
217 HB ILE 34 HB ILE 34 9.308 3.841 2.437
218 HG12 ILE 34 1HG1 ILE 34 6.543 3.589 1.323
219 HG13 ILE 34 2HG1 ILE 34 7.914 3.479 0.225
220 HG21 ILE 34 1HG2 ILE 34 8.192 4.412 4.268
221 HG22 ILE 34 2HG2 ILE 34 7.358 5.702 3.403
222 HG23 ILE 34 3HG2 ILE 34 6.686 4.071 3.417
223 HD11 ILE 34 3HD1 ILE 34 6.805 1.420 1.671
224 HD12 ILE 34 1HD1 ILE 34 8.376 1.408 0.872
225 HD13 ILE 34 2HD1 ILE 34 8.259 1.830 2.581
226 H HIS 35 H HIS 35 7.919 5.750 -1.028
227 HA HIS 35 HA HIS 35 10.300 4.451 -2.148
228 HB2 HIS 35 1HB HIS 35 7.537 4.903 -3.282
229 HB3 HIS 35 2HB HIS 35 8.875 4.243 -4.217
230 HD1 HIS 35 HD1 HIS 35 10.049 2.190 -2.378
231 HD2 HIS 35 HD2 HIS 35 5.953 2.784 -2.738
232 HE1 HIS 35 HE1 HIS 35 8.989 0.039 -1.621
233 H THR 36 H THR 36 8.368 7.377 -2.307
234 HA THR 36 HA THR 36 9.774 8.525 -4.511
235 HB THR 36 HB THR 36 8.587 10.568 -4.025
236 HG1 THR 36 HG1 THR 36 8.324 9.386 -1.498
237 HG21 THR 36 3HG2 THR 36 6.237 9.247 -3.418
238 HG22 THR 36 1HG2 THR 36 7.237 7.991 -4.147
239 HG23 THR 36 2HG2 THR 36 6.908 9.481 -5.031
240 H GLY 37 H GLY 37 11.819 9.177 -4.439
241 HA2 GLY 37 1HA GLY 37 12.839 11.149 -2.814
242 HA3 GLY 37 2HA GLY 37 13.198 9.645 -1.978
243 H GLU 38 H GLU 38 13.635 8.041 -4.292
244 HA GLU 38 HA GLU 38 16.368 8.659 -4.770
245 HB2 GLU 38 1HB GLU 38 14.498 6.607 -5.947
246 HB3 GLU 38 2HB GLU 38 16.183 6.738 -6.430
247 HG2 GLU 38 1HG GLU 38 16.945 6.173 -4.261
248 HG3 GLU 38 2HG GLU 38 15.328 6.338 -3.580
249 H LYS 39 H LYS 39 17.103 8.387 -7.226
250 HA LYS 39 HA LYS 39 15.521 10.274 -8.843
251 HB2 LYS 39 1HB LYS 39 18.491 10.249 -8.333
252 HB3 LYS 39 2HB LYS 39 17.793 11.064 -9.727
253 HG2 LYS 39 1HG LYS 39 17.925 12.794 -8.243
254 HG3 LYS 39 2HG LYS 39 16.290 12.214 -7.916
255 HD2 LYS 39 1HD LYS 39 17.283 12.513 -5.801
256 HD3 LYS 39 2HD LYS 39 17.330 10.773 -6.097
257 HE2 LYS 39 1HE LYS 39 19.451 11.371 -5.227
258 HE3 LYS 39 2HE LYS 39 19.675 11.097 -6.954
259 HZ1 LYS 39 3HZ LYS 39 20.000 13.311 -7.357
260 HZ2 LYS 39 1HZ LYS 39 20.675 13.192 -5.810
261 HZ3 LYS 39 2HZ LYS 39 19.117 13.819 -6.006
262 HA PRO 40 HA PRO 40 16.251 6.386 -11.239
263 HB2 PRO 40 1HB PRO 40 13.750 6.305 -12.292
264 HB3 PRO 40 2HB PRO 40 14.151 5.618 -10.713
265 HG2 PRO 40 1HG PRO 40 12.882 8.249 -11.367
266 HG3 PRO 40 2HG PRO 40 12.455 7.086 -10.098
267 HD2 PRO 40 1HD PRO 40 13.903 9.319 -9.600
268 HD3 PRO 40 2HD PRO 40 14.135 7.809 -8.695
269 H SER 41 H SER 41 14.262 9.144 -12.333
270 HA SER 41 HA SER 41 15.885 9.222 -14.788
271 HB2 SER 41 1HB SER 41 12.902 9.708 -14.607
272 HB3 SER 41 2HB SER 41 13.882 9.825 -16.068
273 HG SER 41 HG SER 41 13.497 7.780 -16.289
274 H GLY 42 H GLY 42 15.412 11.407 -15.979
275 HA2 GLY 42 1HA GLY 42 16.372 13.473 -14.321
276 HA3 GLY 42 2HA GLY 42 15.761 13.675 -15.957
277 HA PRO 43 HA PRO 43 12.379 15.929 -14.299
278 HB2 PRO 43 1HB PRO 43 10.582 15.598 -16.308
279 HB3 PRO 43 2HB PRO 43 11.994 16.653 -16.446
280 HG2 PRO 43 1HG PRO 43 11.609 13.862 -17.457
281 HG3 PRO 43 2HG PRO 43 12.355 15.252 -18.267
282 HD2 PRO 43 1HD PRO 43 13.813 13.295 -17.093
283 HD3 PRO 43 2HD PRO 43 14.357 14.984 -17.156
284 H SER 44 H SER 44 9.921 15.679 -14.001
285 HA SER 44 HA SER 44 9.462 13.052 -12.823
286 HB2 SER 44 1HB SER 44 8.283 15.772 -12.461
287 HB3 SER 44 2HB SER 44 7.292 14.372 -12.053
288 HG SER 44 HG SER 44 8.350 14.441 -10.239
289 H SER 45 H SER 45 7.421 11.946 -13.113
290 HA SER 45 HA SER 45 6.767 11.407 -15.728
291 HB2 SER 45 1HB SER 45 6.139 9.974 -13.812
292 HB3 SER 45 2HB SER 45 4.918 11.157 -13.342
293 HG SER 45 HG SER 45 4.533 9.176 -14.924
294 H GLY 46 H GLY 46 4.763 13.337 -13.485
295 HA2 GLY 46 1HA GLY 46 4.049 15.112 -15.687
296 HA3 GLY 46 2HA GLY 46 2.733 14.203 -14.960
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.618 -27.130 -10.477
2 HA2 GLY 1 1HA GLY 1 2.064 -25.308 -10.189
3 HA3 GLY 1 2HA GLY 1 2.626 -25.151 -8.531
4 H SER 2 H SER 2 4.099 -23.637 -8.103
5 HA SER 2 HA SER 2 5.643 -21.989 -8.382
6 HB2 SER 2 1HB SER 2 6.882 -23.938 -9.502
7 HB3 SER 2 2HB SER 2 6.381 -23.222 -11.034
8 HG SER 2 HG SER 2 7.687 -21.555 -10.707
9 H SER 3 H SER 3 3.031 -21.454 -9.154
10 HA SER 3 HA SER 3 2.867 -20.271 -11.733
11 HB2 SER 3 1HB SER 3 0.947 -21.042 -10.183
12 HB3 SER 3 2HB SER 3 1.136 -19.472 -9.402
13 HG SER 3 HG SER 3 -0.431 -19.601 -11.178
14 H GLY 4 H GLY 4 3.013 -18.784 -8.487
15 HA2 GLY 4 1HA GLY 4 4.704 -17.026 -8.141
16 HA3 GLY 4 2HA GLY 4 4.311 -16.450 -9.754
17 H SER 5 H SER 5 2.169 -15.545 -10.101
18 HA SER 5 HA SER 5 1.490 -13.589 -8.268
19 HB2 SER 5 1HB SER 5 -0.581 -13.298 -9.565
20 HB3 SER 5 2HB SER 5 0.808 -13.521 -10.629
21 HG SER 5 HG SER 5 0.177 -15.668 -10.927
22 H SER 6 H SER 6 0.062 -16.798 -8.719
23 HA SER 6 HA SER 6 -1.480 -17.967 -7.497
24 HB2 SER 6 1HB SER 6 0.557 -18.111 -6.083
25 HB3 SER 6 2HB SER 6 0.018 -16.684 -5.199
26 HG SER 6 HG SER 6 -2.019 -18.163 -5.030
27 H GLY 7 H GLY 7 -2.693 -15.759 -8.436
28 HA2 GLY 7 1HA GLY 7 -4.696 -15.275 -6.420
29 HA3 GLY 7 2HA GLY 7 -3.761 -13.845 -6.832
30 H THR 8 H THR 8 -6.533 -15.476 -7.496
31 HA THR 8 HA THR 8 -6.647 -14.884 -10.336
32 HB THR 8 HB THR 8 -7.704 -16.942 -9.436
33 HG1 THR 8 HG1 THR 8 -8.490 -15.679 -11.356
34 HG21 THR 8 3HG2 THR 8 -9.284 -16.952 -7.827
35 HG22 THR 8 1HG2 THR 8 -10.065 -15.497 -8.445
36 HG23 THR 8 2HG2 THR 8 -8.633 -15.363 -7.425
37 H GLY 9 H GLY 9 -7.056 -13.139 -7.548
38 HA2 GLY 9 1HA GLY 9 -9.307 -11.541 -8.477
39 HA3 GLY 9 2HA GLY 9 -8.438 -11.338 -6.964
40 H GLU 10 H GLU 10 -8.931 -9.055 -8.054
41 HA GLU 10 HA GLU 10 -6.345 -8.153 -9.031
42 HB2 GLU 10 1HB GLU 10 -7.922 -8.705 -11.003
43 HB3 GLU 10 2HB GLU 10 -8.806 -7.267 -10.514
44 HG2 GLU 10 1HG GLU 10 -7.078 -7.006 -12.353
45 HG3 GLU 10 2HG GLU 10 -7.024 -5.851 -11.023
46 H LYS 11 H LYS 11 -5.786 -6.484 -7.817
47 HA LYS 11 HA LYS 11 -7.848 -4.955 -6.427
48 HB2 LYS 11 1HB LYS 11 -6.079 -4.135 -5.019
49 HB3 LYS 11 2HB LYS 11 -5.894 -5.876 -5.181
50 HG2 LYS 11 1HG LYS 11 -4.295 -5.146 -7.163
51 HG3 LYS 11 2HG LYS 11 -4.178 -3.680 -6.186
52 HD2 LYS 11 1HD LYS 11 -2.483 -4.887 -5.249
53 HD3 LYS 11 2HD LYS 11 -3.821 -5.447 -4.244
54 HE2 LYS 11 1HE LYS 11 -2.952 -6.865 -6.752
55 HE3 LYS 11 2HE LYS 11 -2.279 -7.233 -5.165
56 HZ1 LYS 11 3HZ LYS 11 -5.006 -7.685 -6.171
57 HZ2 LYS 11 1HZ LYS 11 -4.753 -7.487 -4.509
58 HZ3 LYS 11 2HZ LYS 11 -3.983 -8.744 -5.339
59 HA PRO 12 HA PRO 12 -7.581 -1.494 -9.135
60 HB2 PRO 12 1HB PRO 12 -8.456 0.441 -7.444
61 HB3 PRO 12 2HB PRO 12 -9.529 -0.769 -8.157
62 HG2 PRO 12 1HG PRO 12 -8.291 -0.705 -5.432
63 HG3 PRO 12 2HG PRO 12 -9.947 -1.137 -5.899
64 HD2 PRO 12 1HD PRO 12 -8.055 -2.996 -5.351
65 HD3 PRO 12 2HD PRO 12 -9.344 -3.267 -6.542
66 H PHE 13 H PHE 13 -6.038 -1.398 -5.977
67 HA PHE 13 HA PHE 13 -4.042 0.468 -7.077
68 HB2 PHE 13 1HB PHE 13 -4.940 0.329 -4.192
69 HB3 PHE 13 2HB PHE 13 -3.779 1.462 -4.876
70 HD1 PHE 13 HD1 PHE 13 -4.598 3.105 -6.621
71 HD2 PHE 13 HD2 PHE 13 -7.219 0.814 -4.172
72 HE1 PHE 13 HE1 PHE 13 -6.422 4.687 -7.098
73 HE2 PHE 13 HE2 PHE 13 -9.047 2.392 -4.646
74 HZ PHE 13 HZ PHE 13 -8.650 4.331 -6.111
75 H GLU 14 H GLU 14 -2.298 -0.731 -7.488
76 HA GLU 14 HA GLU 14 -1.272 -2.445 -5.332
77 HB2 GLU 14 1HB GLU 14 -2.297 -3.911 -6.990
78 HB3 GLU 14 2HB GLU 14 -1.362 -3.151 -8.270
79 HG2 GLU 14 1HG GLU 14 0.707 -3.935 -7.107
80 HG3 GLU 14 2HG GLU 14 -0.331 -4.853 -6.018
81 H CYS 15 H CYS 15 0.710 -1.872 -4.758
82 HA CYS 15 HA CYS 15 2.215 0.001 -6.350
83 HB2 CYS 15 1HB CYS 15 2.095 0.140 -3.866
84 HB3 CYS 15 2HB CYS 15 2.997 -1.369 -3.769
85 H ALA 16 H ALA 16 3.892 -0.410 -7.653
86 HA ALA 16 HA ALA 16 4.788 -3.201 -7.877
87 HB1 ALA 16 3HB ALA 16 5.335 -1.097 -9.935
88 HB2 ALA 16 1HB ALA 16 5.220 -2.847 -10.129
89 HB3 ALA 16 2HB ALA 16 3.762 -1.891 -9.853
90 H GLU 17 H GLU 17 5.722 -0.616 -6.253
91 HA GLU 17 HA GLU 17 8.519 -0.546 -7.021
92 HB2 GLU 17 1HB GLU 17 7.028 0.844 -4.789
93 HB3 GLU 17 2HB GLU 17 8.725 1.099 -5.170
94 HG2 GLU 17 1HG GLU 17 7.832 1.684 -7.538
95 HG3 GLU 17 2HG GLU 17 6.300 1.919 -6.699
96 H CYS 18 H CYS 18 6.530 -1.719 -4.351
97 HA CYS 18 HA CYS 18 8.850 -3.269 -3.408
98 HB2 CYS 18 1HB CYS 18 7.925 -3.035 -1.096
99 HB3 CYS 18 2HB CYS 18 8.489 -1.520 -1.794
100 H GLY 19 H GLY 19 5.366 -3.073 -3.827
101 HA2 GLY 19 1HA GLY 19 4.223 -5.058 -4.646
102 HA3 GLY 19 2HA GLY 19 5.266 -6.014 -3.605
103 H LYS 20 H LYS 20 3.029 -3.257 -3.251
104 HA LYS 20 HA LYS 20 1.732 -4.719 -1.053
105 HB2 LYS 20 1HB LYS 20 3.357 -2.711 -0.469
106 HB3 LYS 20 2HB LYS 20 1.952 -1.745 -0.901
107 HG2 LYS 20 1HG LYS 20 0.626 -2.833 0.791
108 HG3 LYS 20 2HG LYS 20 1.956 -3.930 1.171
109 HD2 LYS 20 1HD LYS 20 2.258 -0.949 1.379
110 HD3 LYS 20 2HD LYS 20 1.600 -1.909 2.706
111 HE2 LYS 20 1HE LYS 20 4.265 -2.433 1.399
112 HE3 LYS 20 2HE LYS 20 4.056 -1.465 2.858
113 HZ1 LYS 20 3HZ LYS 20 2.870 -4.126 2.870
114 HZ2 LYS 20 1HZ LYS 20 3.642 -3.278 4.114
115 HZ3 LYS 20 2HZ LYS 20 4.559 -4.053 2.922
116 H SER 21 H SER 21 -0.443 -3.759 -0.510
117 HA SER 21 HA SER 21 -1.741 -2.582 -2.870
118 HB2 SER 21 1HB SER 21 -3.567 -4.128 -2.763
119 HB3 SER 21 2HB SER 21 -2.086 -5.086 -2.752
120 HG SER 21 HG SER 21 -2.568 -5.779 -0.827
121 H PHE 22 H PHE 22 -3.920 -1.695 -2.362
122 HA PHE 22 HA PHE 22 -4.388 -1.031 0.429
123 HB2 PHE 22 1HB PHE 22 -3.934 1.103 -1.667
124 HB3 PHE 22 2HB PHE 22 -4.483 1.393 -0.020
125 HD1 PHE 22 HD1 PHE 22 -1.641 0.470 -2.127
126 HD2 PHE 22 HD2 PHE 22 -2.962 1.247 1.843
127 HE1 PHE 22 HE1 PHE 22 0.699 0.631 -1.384
128 HE2 PHE 22 HE2 PHE 22 -0.625 1.410 2.593
129 HZ PHE 22 HZ PHE 22 1.210 1.103 0.979
130 H SER 23 H SER 23 -6.395 0.519 0.515
131 HA SER 23 HA SER 23 -8.393 -0.620 -1.321
132 HB2 SER 23 1HB SER 23 -8.824 -1.201 0.991
133 HB3 SER 23 2HB SER 23 -8.699 0.489 1.480
134 HG SER 23 HG SER 23 -10.520 0.811 -0.047
135 H ILE 24 H ILE 24 -6.829 2.261 -0.397
136 HA ILE 24 HA ILE 24 -8.581 3.788 -2.173
137 HB ILE 24 HB ILE 24 -8.179 5.734 -0.427
138 HG12 ILE 24 1HG1 ILE 24 -8.340 3.297 1.357
139 HG13 ILE 24 2HG1 ILE 24 -6.873 4.233 1.092
140 HG21 ILE 24 1HG2 ILE 24 -10.399 5.189 0.566
141 HG22 ILE 24 2HG2 ILE 24 -10.354 5.099 -1.194
142 HG23 ILE 24 3HG2 ILE 24 -10.316 3.620 -0.235
143 HD11 ILE 24 3HD1 ILE 24 -7.503 5.351 2.911
144 HD12 ILE 24 1HD1 ILE 24 -8.644 6.163 1.838
145 HD13 ILE 24 2HD1 ILE 24 -9.168 4.781 2.802
146 H SER 25 H SER 25 -7.602 5.646 -3.096
147 HA SER 25 HA SER 25 -4.882 5.339 -3.738
148 HB2 SER 25 1HB SER 25 -6.275 6.451 -5.318
149 HB3 SER 25 2HB SER 25 -6.805 7.635 -4.124
150 HG SER 25 HG SER 25 -5.148 8.800 -4.642
151 H SER 26 H SER 26 -6.538 7.404 -1.413
152 HA SER 26 HA SER 26 -4.492 9.123 -0.704
153 HB2 SER 26 1HB SER 26 -6.983 8.921 0.133
154 HB3 SER 26 2HB SER 26 -6.250 7.993 1.441
155 HG SER 26 HG SER 26 -6.176 10.041 2.156
156 H GLN 27 H GLN 27 -5.127 5.836 0.434
157 HA GLN 27 HA GLN 27 -3.007 5.821 2.341
158 HB2 GLN 27 1HB GLN 27 -4.792 3.735 1.143
159 HB3 GLN 27 2HB GLN 27 -3.390 3.245 2.085
160 HG2 GLN 27 1HG GLN 27 -4.212 4.306 4.033
161 HG3 GLN 27 2HG GLN 27 -5.474 5.139 3.127
162 HE21 GLN 27 1HE2 GLN 27 -4.360 1.774 3.341
163 HE22 GLN 27 2HE2 GLN 27 -5.915 1.101 3.675
164 H LEU 28 H LEU 28 -3.366 4.593 -0.964
165 HA LEU 28 HA LEU 28 -0.896 3.310 -1.184
166 HB2 LEU 28 1HB LEU 28 -2.444 2.876 -2.875
167 HB3 LEU 28 2HB LEU 28 -2.737 4.588 -3.171
168 HG LEU 28 HG LEU 28 -0.517 4.776 -4.208
169 HD11 LEU 28 1HD1 LEU 28 0.523 2.487 -4.826
170 HD12 LEU 28 2HD1 LEU 28 -0.362 1.895 -3.421
171 HD13 LEU 28 3HD1 LEU 28 0.837 3.174 -3.232
172 HD21 LEU 28 3HD2 LEU 28 -1.181 3.959 -6.248
173 HD22 LEU 28 1HD2 LEU 28 -2.719 3.982 -5.384
174 HD23 LEU 28 2HD2 LEU 28 -1.832 2.468 -5.564
175 H ALA 29 H ALA 29 -1.798 6.667 -1.886
176 HA ALA 29 HA ALA 29 0.685 7.511 -2.884
177 HB1 ALA 29 3HB ALA 29 -1.526 9.031 -1.521
178 HB2 ALA 29 1HB ALA 29 -0.109 9.803 -2.233
179 HB3 ALA 29 2HB ALA 29 -1.218 8.884 -3.251
180 H THR 30 H THR 30 -0.677 7.994 0.381
181 HA THR 30 HA THR 30 1.526 9.141 1.582
182 HB THR 30 HB THR 30 -0.361 7.194 2.919
183 HG1 THR 30 HG1 THR 30 -1.491 8.889 1.863
184 HG21 THR 30 3HG2 THR 30 0.191 9.073 4.767
185 HG22 THR 30 1HG2 THR 30 1.713 9.068 3.877
186 HG23 THR 30 2HG2 THR 30 1.110 7.577 4.601
187 H HIS 31 H HIS 31 1.181 5.953 0.427
188 HA HIS 31 HA HIS 31 3.269 4.865 2.139
189 HB2 HIS 31 1HB HIS 31 1.724 3.196 1.785
190 HB3 HIS 31 2HB HIS 31 1.348 3.743 0.153
191 HD1 HIS 31 HD1 HIS 31 3.728 1.591 2.070
192 HD2 HIS 31 HD2 HIS 31 2.963 2.673 -1.867
193 HE1 HIS 31 HE1 HIS 31 5.075 0.001 0.662
194 H GLN 32 H GLN 32 2.759 5.759 -1.239
195 HA GLN 32 HA GLN 32 5.123 4.803 -2.336
196 HB2 GLN 32 1HB GLN 32 3.232 6.996 -3.021
197 HB3 GLN 32 2HB GLN 32 4.794 6.987 -3.828
198 HG2 GLN 32 1HG GLN 32 4.374 4.739 -4.651
199 HG3 GLN 32 2HG GLN 32 2.825 4.711 -3.812
200 HE21 GLN 32 1HE2 GLN 32 2.106 4.214 -6.041
201 HE22 GLN 32 2HE2 GLN 32 1.724 5.540 -7.080
202 H ARG 33 H ARG 33 4.624 7.383 -0.133
203 HA ARG 33 HA ARG 33 6.869 8.982 -0.730
204 HB2 ARG 33 1HB ARG 33 5.819 8.657 2.062
205 HB3 ARG 33 2HB ARG 33 6.439 10.102 1.274
206 HG2 ARG 33 1HG ARG 33 4.342 9.756 -0.276
207 HG3 ARG 33 2HG ARG 33 3.741 8.867 1.126
208 HD2 ARG 33 1HD ARG 33 4.328 10.889 2.512
209 HD3 ARG 33 2HD ARG 33 4.614 11.745 0.997
210 HE ARG 33 HE ARG 33 2.076 11.082 2.154
211 HH11 ARG 33 1HH1 ARG 33 3.763 11.738 -0.820
212 HH12 ARG 33 2HH1 ARG 33 2.343 12.264 -1.661
213 HH21 ARG 33 1HH2 ARG 33 0.200 11.772 1.057
214 HH22 ARG 33 2HH2 ARG 33 0.317 12.283 -0.592
215 H ILE 34 H ILE 34 6.420 6.286 1.533
216 HA ILE 34 HA ILE 34 8.833 6.272 2.830
217 HB ILE 34 HB ILE 34 8.465 4.053 3.397
218 HG12 ILE 34 1HG1 ILE 34 7.095 3.741 0.720
219 HG13 ILE 34 2HG1 ILE 34 8.635 3.044 1.212
220 HG21 ILE 34 1HG2 ILE 34 6.395 4.206 4.236
221 HG22 ILE 34 2HG2 ILE 34 6.339 5.766 3.417
222 HG23 ILE 34 3HG2 ILE 34 5.656 4.338 2.640
223 HD11 ILE 34 3HD1 ILE 34 7.338 1.227 1.519
224 HD12 ILE 34 1HD1 ILE 34 7.073 1.981 3.092
225 HD13 ILE 34 2HD1 ILE 34 5.880 2.177 1.807
226 H HIS 35 H HIS 35 8.207 5.562 -0.492
227 HA HIS 35 HA HIS 35 10.631 4.119 -0.987
228 HB2 HIS 35 1HB HIS 35 8.599 5.425 -2.794
229 HB3 HIS 35 2HB HIS 35 10.041 4.627 -3.416
230 HD1 HIS 35 HD1 HIS 35 10.079 2.072 -3.401
231 HD2 HIS 35 HD2 HIS 35 6.657 3.692 -1.691
232 HE1 HIS 35 HE1 HIS 35 8.489 0.143 -3.121
233 H THR 36 H THR 36 9.622 7.475 -1.156
234 HA THR 36 HA THR 36 11.389 8.777 -2.659
235 HB THR 36 HB THR 36 9.810 9.912 -1.134
236 HG1 THR 36 HG1 THR 36 11.514 11.117 -2.097
237 HG21 THR 36 3HG2 THR 36 9.986 9.917 1.117
238 HG22 THR 36 1HG2 THR 36 11.747 10.006 1.083
239 HG23 THR 36 2HG2 THR 36 10.937 8.455 0.855
240 H GLY 37 H GLY 37 13.532 9.334 -2.717
241 HA2 GLY 37 1HA GLY 37 15.771 9.343 -2.158
242 HA3 GLY 37 2HA GLY 37 15.320 8.837 -0.536
243 H GLU 38 H GLU 38 17.139 7.420 -0.540
244 HA GLU 38 HA GLU 38 16.484 4.794 -1.501
245 HB2 GLU 38 1HB GLU 38 17.586 5.927 -3.472
246 HB3 GLU 38 2HB GLU 38 19.051 6.024 -2.505
247 HG2 GLU 38 1HG GLU 38 19.064 4.124 -4.051
248 HG3 GLU 38 2HG GLU 38 19.173 3.623 -2.364
249 H LYS 39 H LYS 39 17.684 3.158 -0.495
250 HA LYS 39 HA LYS 39 18.832 3.915 2.027
251 HB2 LYS 39 1HB LYS 39 18.115 1.359 0.676
252 HB3 LYS 39 2HB LYS 39 19.294 1.293 1.979
253 HG2 LYS 39 1HG LYS 39 17.623 2.512 3.409
254 HG3 LYS 39 2HG LYS 39 16.449 2.250 2.117
255 HD2 LYS 39 1HD LYS 39 16.050 0.440 3.495
256 HD3 LYS 39 2HD LYS 39 17.183 -0.240 2.325
257 HE2 LYS 39 1HE LYS 39 18.238 1.009 4.820
258 HE3 LYS 39 2HE LYS 39 17.527 -0.603 4.902
259 HZ1 LYS 39 3HZ LYS 39 20.086 0.143 4.001
260 HZ2 LYS 39 1HZ LYS 39 19.245 -0.567 2.716
261 HZ3 LYS 39 2HZ LYS 39 19.437 -1.410 4.169
262 HA PRO 40 HA PRO 40 23.096 3.978 0.981
263 HB2 PRO 40 1HB PRO 40 24.203 3.042 3.276
264 HB3 PRO 40 2HB PRO 40 23.490 4.654 3.141
265 HG2 PRO 40 1HG PRO 40 22.310 2.149 4.279
266 HG3 PRO 40 2HG PRO 40 22.241 3.804 4.910
267 HD2 PRO 40 1HD PRO 40 20.186 2.675 3.556
268 HD3 PRO 40 2HD PRO 40 20.539 4.413 3.479
269 H SER 41 H SER 41 21.442 1.080 1.582
270 HA SER 41 HA SER 41 23.161 -0.960 1.773
271 HB2 SER 41 1HB SER 41 20.726 -0.582 0.098
272 HB3 SER 41 2HB SER 41 21.708 -2.016 -0.204
273 HG SER 41 HG SER 41 21.546 -2.058 2.312
274 H GLY 42 H GLY 42 22.731 1.021 -1.124
275 HA2 GLY 42 1HA GLY 42 25.327 0.041 -2.083
276 HA3 GLY 42 2HA GLY 42 23.943 -0.059 -3.161
277 HA PRO 43 HA PRO 43 26.040 4.282 -2.991
278 HB2 PRO 43 1HB PRO 43 28.016 4.006 -4.833
279 HB3 PRO 43 2HB PRO 43 28.267 3.730 -3.105
280 HG2 PRO 43 1HG PRO 43 27.798 1.741 -5.292
281 HG3 PRO 43 2HG PRO 43 28.952 1.674 -3.948
282 HD2 PRO 43 1HD PRO 43 26.602 0.329 -3.918
283 HD3 PRO 43 2HD PRO 43 27.353 0.973 -2.443
284 H SER 44 H SER 44 25.741 5.858 -4.613
285 HA SER 44 HA SER 44 25.126 5.198 -7.312
286 HB2 SER 44 1HB SER 44 22.763 5.670 -7.342
287 HB3 SER 44 2HB SER 44 23.048 4.414 -6.138
288 HG SER 44 HG SER 44 21.994 6.878 -5.818
289 H SER 45 H SER 45 26.013 6.873 -8.307
290 HA SER 45 HA SER 45 26.411 9.400 -7.079
291 HB2 SER 45 1HB SER 45 27.907 8.466 -8.830
292 HB3 SER 45 2HB SER 45 26.619 8.686 -10.014
293 HG SER 45 HG SER 45 27.108 10.723 -10.128
294 H GLY 46 H GLY 46 24.422 8.488 -9.903
295 HA2 GLY 46 1HA GLY 46 22.206 10.060 -9.060
296 HA3 GLY 46 2HA GLY 46 23.140 10.913 -10.279
Start of MODEL 3
1 H1 GLY 1 H GLY 1 10.553 -7.785 -10.863
2 HA2 GLY 1 1HA GLY 1 10.841 -9.710 -12.492
3 HA3 GLY 1 2HA GLY 1 10.127 -10.684 -11.216
4 H SER 2 H SER 2 9.375 -9.632 -14.073
5 HA SER 2 HA SER 2 6.648 -8.773 -13.360
6 HB2 SER 2 1HB SER 2 6.559 -7.852 -15.698
7 HB3 SER 2 2HB SER 2 7.746 -7.066 -14.657
8 HG SER 2 HG SER 2 8.119 -8.456 -16.958
9 H SER 3 H SER 3 8.530 -10.805 -15.569
10 HA SER 3 HA SER 3 6.341 -12.028 -16.851
11 HB2 SER 3 1HB SER 3 8.896 -12.042 -17.437
12 HB3 SER 3 2HB SER 3 8.927 -13.489 -16.429
13 HG SER 3 HG SER 3 6.924 -13.323 -18.355
14 H GLY 4 H GLY 4 5.233 -13.917 -16.463
15 HA2 GLY 4 1HA GLY 4 4.518 -15.796 -15.311
16 HA3 GLY 4 2HA GLY 4 5.921 -15.645 -14.263
17 H SER 5 H SER 5 2.574 -15.017 -14.644
18 HA SER 5 HA SER 5 2.207 -14.523 -11.880
19 HB2 SER 5 1HB SER 5 1.264 -12.192 -12.136
20 HB3 SER 5 2HB SER 5 3.016 -12.307 -12.300
21 HG SER 5 HG SER 5 2.772 -12.195 -14.536
22 H SER 6 H SER 6 0.401 -15.627 -11.565
23 HA SER 6 HA SER 6 -1.751 -15.417 -13.566
24 HB2 SER 6 1HB SER 6 -1.035 -17.682 -11.695
25 HB3 SER 6 2HB SER 6 -2.522 -17.631 -12.641
26 HG SER 6 HG SER 6 -1.263 -17.604 -14.521
27 H GLY 7 H GLY 7 -3.195 -13.968 -12.871
28 HA2 GLY 7 1HA GLY 7 -4.838 -13.031 -11.565
29 HA3 GLY 7 2HA GLY 7 -4.746 -14.463 -10.550
30 H THR 8 H THR 8 -2.644 -11.678 -11.298
31 HA THR 8 HA THR 8 -2.306 -11.298 -8.395
32 HB THR 8 HB THR 8 -0.200 -10.882 -10.526
33 HG1 THR 8 HG1 THR 8 0.702 -12.719 -9.752
34 HG21 THR 8 3HG2 THR 8 1.187 -10.717 -8.279
35 HG22 THR 8 1HG2 THR 8 -0.360 -10.163 -7.640
36 HG23 THR 8 2HG2 THR 8 0.401 -9.301 -8.977
37 H GLY 9 H GLY 9 -4.021 -9.747 -8.471
38 HA2 GLY 9 1HA GLY 9 -3.491 -7.157 -8.330
39 HA3 GLY 9 2HA GLY 9 -3.578 -7.348 -10.075
40 H GLU 10 H GLU 10 -5.466 -8.325 -7.208
41 HA GLU 10 HA GLU 10 -7.929 -8.102 -8.714
42 HB2 GLU 10 1HB GLU 10 -7.691 -9.924 -7.116
43 HB3 GLU 10 2HB GLU 10 -7.414 -8.777 -5.813
44 HG2 GLU 10 1HG GLU 10 -9.736 -7.856 -6.406
45 HG3 GLU 10 2HG GLU 10 -9.949 -9.369 -7.285
46 H LYS 11 H LYS 11 -6.079 -6.209 -6.481
47 HA LYS 11 HA LYS 11 -8.287 -4.372 -5.980
48 HB2 LYS 11 1HB LYS 11 -5.429 -4.364 -4.991
49 HB3 LYS 11 2HB LYS 11 -6.661 -3.204 -4.512
50 HG2 LYS 11 1HG LYS 11 -7.992 -5.038 -3.560
51 HG3 LYS 11 2HG LYS 11 -6.710 -6.171 -3.995
52 HD2 LYS 11 1HD LYS 11 -6.249 -5.705 -1.768
53 HD3 LYS 11 2HD LYS 11 -5.180 -4.593 -2.627
54 HE2 LYS 11 1HE LYS 11 -6.146 -3.261 -0.979
55 HE3 LYS 11 2HE LYS 11 -7.109 -2.906 -2.413
56 HZ1 LYS 11 3HZ LYS 11 -8.095 -5.100 -0.814
57 HZ2 LYS 11 1HZ LYS 11 -8.931 -3.802 -1.506
58 HZ3 LYS 11 2HZ LYS 11 -8.128 -3.601 -0.032
59 HA PRO 12 HA PRO 12 -7.203 -1.543 -9.168
60 HB2 PRO 12 1HB PRO 12 -8.161 0.756 -8.088
61 HB3 PRO 12 2HB PRO 12 -9.209 -0.510 -8.738
62 HG2 PRO 12 1HG PRO 12 -8.459 0.053 -5.895
63 HG3 PRO 12 2HG PRO 12 -10.044 -0.365 -6.572
64 HD2 PRO 12 1HD PRO 12 -8.469 -2.179 -5.322
65 HD3 PRO 12 2HD PRO 12 -9.553 -2.616 -6.658
66 H PHE 13 H PHE 13 -6.224 -0.878 -5.857
67 HA PHE 13 HA PHE 13 -4.076 0.868 -6.844
68 HB2 PHE 13 1HB PHE 13 -5.067 0.513 -4.008
69 HB3 PHE 13 2HB PHE 13 -3.884 1.694 -4.560
70 HD1 PHE 13 HD1 PHE 13 -4.680 3.382 -6.340
71 HD2 PHE 13 HD2 PHE 13 -7.307 1.076 -3.912
72 HE1 PHE 13 HE1 PHE 13 -6.488 4.995 -6.771
73 HE2 PHE 13 HE2 PHE 13 -9.119 2.684 -4.339
74 HZ PHE 13 HZ PHE 13 -8.711 4.646 -5.771
75 H GLU 14 H GLU 14 -2.324 -0.306 -7.313
76 HA GLU 14 HA GLU 14 -1.309 -2.128 -5.241
77 HB2 GLU 14 1HB GLU 14 -2.380 -3.342 -7.201
78 HB3 GLU 14 2HB GLU 14 -1.074 -2.706 -8.192
79 HG2 GLU 14 1HG GLU 14 0.549 -3.827 -6.707
80 HG3 GLU 14 2HG GLU 14 -0.799 -4.530 -5.815
81 H CYS 15 H CYS 15 0.804 -1.910 -4.775
82 HA CYS 15 HA CYS 15 2.253 0.246 -6.050
83 HB2 CYS 15 1HB CYS 15 2.450 0.217 -3.693
84 HB3 CYS 15 2HB CYS 15 2.794 -1.509 -3.663
85 H ALA 16 H ALA 16 3.938 0.068 -7.415
86 HA ALA 16 HA ALA 16 4.752 -2.653 -8.189
87 HB1 ALA 16 3HB ALA 16 4.244 -0.185 -9.711
88 HB2 ALA 16 1HB ALA 16 5.644 -1.126 -10.225
89 HB3 ALA 16 2HB ALA 16 4.047 -1.873 -10.181
90 H GLU 17 H GLU 17 5.937 -1.571 -5.929
91 HA GLU 17 HA GLU 17 8.681 -1.120 -6.891
92 HB2 GLU 17 1HB GLU 17 7.239 0.300 -4.657
93 HB3 GLU 17 2HB GLU 17 8.992 0.278 -4.780
94 HG2 GLU 17 1HG GLU 17 7.122 1.341 -6.884
95 HG3 GLU 17 2HG GLU 17 7.997 2.319 -5.708
96 H CYS 18 H CYS 18 6.856 -1.863 -3.914
97 HA CYS 18 HA CYS 18 8.941 -3.820 -3.223
98 HB2 CYS 18 1HB CYS 18 8.093 -3.640 -0.910
99 HB3 CYS 18 2HB CYS 18 8.628 -2.086 -1.541
100 H GLY 19 H GLY 19 5.422 -3.351 -3.306
101 HA2 GLY 19 1HA GLY 19 4.222 -5.268 -4.390
102 HA3 GLY 19 2HA GLY 19 5.133 -6.293 -3.290
103 H LYS 20 H LYS 20 3.201 -3.312 -2.961
104 HA LYS 20 HA LYS 20 1.550 -4.700 -0.967
105 HB2 LYS 20 1HB LYS 20 3.033 -2.112 -0.650
106 HB3 LYS 20 2HB LYS 20 1.534 -2.380 0.230
107 HG2 LYS 20 1HG LYS 20 2.530 -4.440 1.190
108 HG3 LYS 20 2HG LYS 20 4.052 -4.022 0.401
109 HD2 LYS 20 1HD LYS 20 4.239 -3.229 2.616
110 HD3 LYS 20 2HD LYS 20 3.914 -1.805 1.626
111 HE2 LYS 20 1HE LYS 20 1.470 -2.131 2.214
112 HE3 LYS 20 2HE LYS 20 2.012 -3.303 3.414
113 HZ1 LYS 20 3HZ LYS 20 1.722 -1.154 4.428
114 HZ2 LYS 20 1HZ LYS 20 2.760 -0.431 3.304
115 HZ3 LYS 20 2HZ LYS 20 3.368 -1.546 4.421
116 H SER 21 H SER 21 -0.595 -4.115 -0.913
117 HA SER 21 HA SER 21 -1.453 -2.188 -2.974
118 HB2 SER 21 1HB SER 21 -3.038 -4.592 -2.055
119 HB3 SER 21 2HB SER 21 -3.367 -3.551 -3.439
120 HG SER 21 HG SER 21 -1.271 -5.420 -3.106
121 H PHE 22 H PHE 22 -3.654 -1.270 -2.561
122 HA PHE 22 HA PHE 22 -4.335 -1.077 0.278
123 HB2 PHE 22 1HB PHE 22 -3.855 1.328 -1.495
124 HB3 PHE 22 2HB PHE 22 -4.456 1.377 0.159
125 HD1 PHE 22 HD1 PHE 22 -1.534 0.705 -1.959
126 HD2 PHE 22 HD2 PHE 22 -2.987 1.110 2.021
127 HE1 PHE 22 HE1 PHE 22 0.780 0.807 -1.128
128 HE2 PHE 22 HE2 PHE 22 -0.676 1.214 2.858
129 HZ PHE 22 HZ PHE 22 1.212 1.063 1.283
130 H SER 23 H SER 23 -6.413 0.227 0.552
131 HA SER 23 HA SER 23 -8.324 -0.770 -1.408
132 HB2 SER 23 1HB SER 23 -8.749 0.515 1.300
133 HB3 SER 23 2HB SER 23 -10.028 -0.142 0.279
134 HG SER 23 HG SER 23 -9.604 -1.941 1.272
135 H ILE 24 H ILE 24 -7.134 2.262 -0.097
136 HA ILE 24 HA ILE 24 -8.683 3.685 -2.161
137 HB ILE 24 HB ILE 24 -8.400 5.681 -0.487
138 HG12 ILE 24 1HG1 ILE 24 -8.183 3.251 1.296
139 HG13 ILE 24 2HG1 ILE 24 -7.053 4.596 1.178
140 HG21 ILE 24 1HG2 ILE 24 -10.479 3.917 0.564
141 HG22 ILE 24 2HG2 ILE 24 -10.613 5.493 -0.214
142 HG23 ILE 24 3HG2 ILE 24 -10.463 4.036 -1.195
143 HD11 ILE 24 3HD1 ILE 24 -9.537 4.343 2.703
144 HD12 ILE 24 1HD1 ILE 24 -8.102 5.321 3.012
145 HD13 ILE 24 2HD1 ILE 24 -9.328 5.886 1.875
146 H SER 25 H SER 25 -7.642 5.272 -3.313
147 HA SER 25 HA SER 25 -4.919 5.044 -3.773
148 HB2 SER 25 1HB SER 25 -6.855 6.276 -5.099
149 HB3 SER 25 2HB SER 25 -6.231 7.688 -4.246
150 HG SER 25 HG SER 25 -4.375 6.020 -5.482
151 H SER 26 H SER 26 -6.650 7.132 -1.541
152 HA SER 26 HA SER 26 -4.700 8.957 -0.860
153 HB2 SER 26 1HB SER 26 -5.872 9.285 1.203
154 HB3 SER 26 2HB SER 26 -7.082 8.878 -0.014
155 HG SER 26 HG SER 26 -7.410 6.975 0.917
156 H GLN 27 H GLN 27 -5.270 5.782 0.654
157 HA GLN 27 HA GLN 27 -3.102 5.880 2.428
158 HB2 GLN 27 1HB GLN 27 -4.843 3.738 1.324
159 HB3 GLN 27 2HB GLN 27 -3.338 3.241 2.084
160 HG2 GLN 27 1HG GLN 27 -4.170 4.835 4.003
161 HG3 GLN 27 2HG GLN 27 -5.744 4.504 3.280
162 HE21 GLN 27 1HE2 GLN 27 -5.528 1.918 2.522
163 HE22 GLN 27 2HE2 GLN 27 -5.302 0.903 3.901
164 H LEU 28 H LEU 28 -3.362 4.377 -0.787
165 HA LEU 28 HA LEU 28 -0.827 3.305 -0.989
166 HB2 LEU 28 1HB LEU 28 -2.321 2.764 -2.693
167 HB3 LEU 28 2HB LEU 28 -2.710 4.452 -3.014
168 HG LEU 28 HG LEU 28 -0.383 4.704 -3.937
169 HD11 LEU 28 1HD1 LEU 28 0.108 2.316 -2.753
170 HD12 LEU 28 2HD1 LEU 28 1.070 3.000 -4.063
171 HD13 LEU 28 3HD1 LEU 28 -0.188 1.816 -4.419
172 HD21 LEU 28 3HD2 LEU 28 -0.995 3.937 -6.070
173 HD22 LEU 28 1HD2 LEU 28 -2.521 4.292 -5.259
174 HD23 LEU 28 2HD2 LEU 28 -1.971 2.623 -5.411
175 H ALA 29 H ALA 29 -1.861 6.542 -2.070
176 HA ALA 29 HA ALA 29 0.553 7.511 -2.970
177 HB1 ALA 29 3HB ALA 29 -1.981 8.604 -2.270
178 HB2 ALA 29 1HB ALA 29 -0.716 9.643 -1.612
179 HB3 ALA 29 2HB ALA 29 -0.744 9.272 -3.336
180 H THR 30 H THR 30 -0.704 7.562 0.351
181 HA THR 30 HA THR 30 1.422 8.970 1.518
182 HB THR 30 HB THR 30 -0.346 6.877 2.800
183 HG1 THR 30 HG1 THR 30 -1.422 8.738 1.838
184 HG21 THR 30 3HG2 THR 30 1.182 7.142 4.456
185 HG22 THR 30 1HG2 THR 30 0.247 8.602 4.776
186 HG23 THR 30 2HG2 THR 30 1.739 8.698 3.841
187 H HIS 31 H HIS 31 1.106 5.645 0.558
188 HA HIS 31 HA HIS 31 3.323 4.685 2.107
189 HB2 HIS 31 1HB HIS 31 1.790 3.002 1.596
190 HB3 HIS 31 2HB HIS 31 1.607 3.538 -0.072
191 HD1 HIS 31 HD1 HIS 31 4.042 1.701 2.156
192 HD2 HIS 31 HD2 HIS 31 3.265 2.309 -1.880
193 HE1 HIS 31 HE1 HIS 31 5.557 0.110 0.932
194 H GLN 32 H GLN 32 2.822 5.700 -1.242
195 HA GLN 32 HA GLN 32 5.272 4.969 -2.321
196 HB2 GLN 32 1HB GLN 32 3.435 7.277 -2.939
197 HB3 GLN 32 2HB GLN 32 4.891 6.960 -3.873
198 HG2 GLN 32 1HG GLN 32 4.059 4.812 -4.544
199 HG3 GLN 32 2HG GLN 32 2.658 4.981 -3.488
200 HE21 GLN 32 1HE2 GLN 32 1.578 4.498 -5.576
201 HE22 GLN 32 2HE2 GLN 32 1.183 5.830 -6.603
202 H ARG 33 H ARG 33 4.633 7.228 0.113
203 HA ARG 33 HA ARG 33 6.620 9.159 -0.342
204 HB2 ARG 33 1HB ARG 33 5.684 8.193 2.361
205 HB3 ARG 33 2HB ARG 33 6.351 9.771 1.962
206 HG2 ARG 33 1HG ARG 33 3.882 8.910 0.559
207 HG3 ARG 33 2HG ARG 33 3.759 9.384 2.255
208 HD2 ARG 33 1HD ARG 33 4.831 11.524 1.726
209 HD3 ARG 33 2HD ARG 33 4.937 11.048 0.031
210 HE ARG 33 HE ARG 33 2.287 10.829 0.621
211 HH11 ARG 33 1HH1 ARG 33 4.651 13.371 0.887
212 HH12 ARG 33 2HH1 ARG 33 3.499 14.644 0.656
213 HH21 ARG 33 1HH2 ARG 33 0.761 12.496 0.315
214 HH22 ARG 33 2HH2 ARG 33 1.286 14.146 0.332
215 H ILE 34 H ILE 34 6.706 6.220 1.672
216 HA ILE 34 HA ILE 34 9.384 6.454 2.470
217 HB ILE 34 HB ILE 34 9.279 4.131 3.106
218 HG12 ILE 34 1HG1 ILE 34 6.572 3.769 1.901
219 HG13 ILE 34 2HG1 ILE 34 7.976 3.622 0.849
220 HG21 ILE 34 1HG2 ILE 34 7.115 4.145 4.394
221 HG22 ILE 34 2HG2 ILE 34 8.135 5.568 4.604
222 HG23 ILE 34 3HG2 ILE 34 6.719 5.646 3.556
223 HD11 ILE 34 3HD1 ILE 34 6.957 1.539 2.066
224 HD12 ILE 34 1HD1 ILE 34 8.700 1.710 1.858
225 HD13 ILE 34 2HD1 ILE 34 7.953 2.110 3.405
226 H HIS 35 H HIS 35 8.104 5.822 -0.576
227 HA HIS 35 HA HIS 35 10.418 4.286 -1.482
228 HB2 HIS 35 1HB HIS 35 7.738 4.937 -2.642
229 HB3 HIS 35 2HB HIS 35 9.057 4.507 -3.727
230 HD1 HIS 35 HD1 HIS 35 10.335 2.290 -1.924
231 HD2 HIS 35 HD2 HIS 35 6.293 2.615 -2.829
232 HE1 HIS 35 HE1 HIS 35 9.391 -0.022 -1.625
233 H THR 36 H THR 36 8.954 7.454 -1.777
234 HA THR 36 HA THR 36 10.970 8.307 -3.707
235 HB THR 36 HB THR 36 9.716 10.512 -3.586
236 HG1 THR 36 HG1 THR 36 8.700 9.998 -1.524
237 HG21 THR 36 3HG2 THR 36 8.988 8.025 -4.827
238 HG22 THR 36 1HG2 THR 36 8.843 9.666 -5.454
239 HG23 THR 36 2HG2 THR 36 7.542 8.975 -4.485
240 H GLY 37 H GLY 37 12.825 8.220 -2.370
241 HA2 GLY 37 1HA GLY 37 12.903 9.844 0.035
242 HA3 GLY 37 2HA GLY 37 14.217 8.875 -0.615
243 H GLU 38 H GLU 38 14.826 11.317 0.340
244 HA GLU 38 HA GLU 38 16.055 12.570 -1.868
245 HB2 GLU 38 1HB GLU 38 14.884 14.676 -1.946
246 HB3 GLU 38 2HB GLU 38 13.734 13.378 -2.234
247 HG2 GLU 38 1HG GLU 38 13.340 13.571 0.347
248 HG3 GLU 38 2HG GLU 38 14.006 15.186 0.112
249 H LYS 39 H LYS 39 17.428 14.333 -1.251
250 HA LYS 39 HA LYS 39 17.558 15.215 1.468
251 HB2 LYS 39 1HB LYS 39 19.365 13.042 0.504
252 HB3 LYS 39 2HB LYS 39 20.028 14.265 1.579
253 HG2 LYS 39 1HG LYS 39 18.022 13.727 3.092
254 HG3 LYS 39 2HG LYS 39 17.864 12.268 2.112
255 HD2 LYS 39 1HD LYS 39 19.869 11.397 2.850
256 HD3 LYS 39 2HD LYS 39 20.527 12.982 3.261
257 HE2 LYS 39 1HE LYS 39 20.047 11.758 5.284
258 HE3 LYS 39 2HE LYS 39 18.935 13.118 5.142
259 HZ1 LYS 39 3HZ LYS 39 18.381 10.245 4.733
260 HZ2 LYS 39 1HZ LYS 39 17.359 11.435 4.099
261 HZ3 LYS 39 2HZ LYS 39 17.604 11.333 5.769
262 HA PRO 40 HA PRO 40 19.542 18.564 -0.585
263 HB2 PRO 40 1HB PRO 40 20.669 19.783 1.563
264 HB3 PRO 40 2HB PRO 40 18.935 19.839 1.227
265 HG2 PRO 40 1HG PRO 40 20.439 18.086 3.130
266 HG3 PRO 40 2HG PRO 40 18.903 18.939 3.371
267 HD2 PRO 40 1HD PRO 40 19.028 16.297 2.790
268 HD3 PRO 40 2HD PRO 40 17.691 17.332 2.248
269 H SER 41 H SER 41 21.272 16.210 1.243
270 HA SER 41 HA SER 41 23.897 17.166 0.982
271 HB2 SER 41 1HB SER 41 22.925 15.135 2.332
272 HB3 SER 41 2HB SER 41 23.305 14.228 0.868
273 HG SER 41 HG SER 41 24.980 15.277 2.773
274 H GLY 42 H GLY 42 22.127 14.818 -1.041
275 HA2 GLY 42 1HA GLY 42 24.125 15.285 -3.161
276 HA3 GLY 42 2HA GLY 42 23.147 13.833 -3.005
277 HA PRO 43 HA PRO 43 20.380 17.435 -4.758
278 HB2 PRO 43 1HB PRO 43 21.776 19.398 -6.011
279 HB3 PRO 43 2HB PRO 43 21.330 19.477 -4.302
280 HG2 PRO 43 1HG PRO 43 23.937 18.688 -5.545
281 HG3 PRO 43 2HG PRO 43 23.637 19.715 -4.130
282 HD2 PRO 43 1HD PRO 43 24.378 17.119 -3.915
283 HD3 PRO 43 2HD PRO 43 23.318 17.911 -2.731
284 H SER 44 H SER 44 20.272 18.423 -7.169
285 HA SER 44 HA SER 44 21.371 16.341 -8.944
286 HB2 SER 44 1HB SER 44 18.937 16.135 -8.679
287 HB3 SER 44 2HB SER 44 18.734 17.809 -9.194
288 HG SER 44 HG SER 44 20.036 16.912 -11.129
289 H SER 45 H SER 45 23.211 17.630 -9.393
290 HA SER 45 HA SER 45 22.796 19.480 -11.561
291 HB2 SER 45 1HB SER 45 23.759 21.418 -10.595
292 HB3 SER 45 2HB SER 45 22.592 20.845 -9.405
293 HG SER 45 HG SER 45 24.257 20.947 -8.116
294 H GLY 46 H GLY 46 25.050 20.419 -12.231
295 HA2 GLY 46 1HA GLY 46 27.505 19.604 -11.711
296 HA3 GLY 46 2HA GLY 46 26.842 18.112 -12.363
Start of MODEL 4
1 H1 GLY 1 H GLY 1 0.574 -3.718 -18.651
2 HA2 GLY 1 1HA GLY 1 2.477 -5.395 -17.510
3 HA3 GLY 1 2HA GLY 1 2.473 -3.919 -16.556
4 H SER 2 H SER 2 0.074 -6.123 -18.013
5 HA SER 2 HA SER 2 -1.490 -5.893 -15.529
6 HB2 SER 2 1HB SER 2 -3.416 -6.675 -16.923
7 HB3 SER 2 2HB SER 2 -2.741 -5.135 -17.456
8 HG SER 2 HG SER 2 -1.810 -6.127 -19.173
9 H SER 3 H SER 3 -0.278 -7.490 -14.428
10 HA SER 3 HA SER 3 -0.005 -10.139 -15.490
11 HB2 SER 3 1HB SER 3 0.649 -8.792 -12.906
12 HB3 SER 3 2HB SER 3 0.552 -10.552 -12.929
13 HG SER 3 HG SER 3 2.514 -8.954 -13.834
14 H GLY 4 H GLY 4 -1.855 -8.812 -12.737
15 HA2 GLY 4 1HA GLY 4 -4.317 -9.762 -13.142
16 HA3 GLY 4 2HA GLY 4 -3.479 -11.225 -12.647
17 H SER 5 H SER 5 -2.458 -11.236 -10.528
18 HA SER 5 HA SER 5 -2.929 -11.162 -8.265
19 HB2 SER 5 1HB SER 5 -1.118 -9.536 -8.598
20 HB3 SER 5 2HB SER 5 -2.305 -8.265 -8.890
21 HG SER 5 HG SER 5 -1.990 -8.014 -6.796
22 H SER 6 H SER 6 -5.340 -11.174 -9.608
23 HA SER 6 HA SER 6 -6.981 -9.027 -8.541
24 HB2 SER 6 1HB SER 6 -8.839 -10.261 -9.712
25 HB3 SER 6 2HB SER 6 -7.527 -9.743 -10.771
26 HG SER 6 HG SER 6 -7.882 -11.832 -11.301
27 H GLY 7 H GLY 7 -6.775 -12.570 -8.247
28 HA2 GLY 7 1HA GLY 7 -7.611 -14.003 -6.651
29 HA3 GLY 7 2HA GLY 7 -7.096 -12.755 -5.527
30 H THR 8 H THR 8 -8.836 -13.245 -4.140
31 HA THR 8 HA THR 8 -11.537 -12.788 -5.148
32 HB THR 8 HB THR 8 -12.242 -13.449 -2.835
33 HG1 THR 8 HG1 THR 8 -10.470 -14.531 -1.633
34 HG21 THR 8 3HG2 THR 8 -12.190 -15.108 -4.604
35 HG22 THR 8 1HG2 THR 8 -11.642 -15.835 -3.094
36 HG23 THR 8 2HG2 THR 8 -10.470 -15.383 -4.333
37 H GLY 9 H GLY 9 -9.781 -10.537 -5.083
38 HA2 GLY 9 1HA GLY 9 -11.401 -8.787 -3.411
39 HA3 GLY 9 2HA GLY 9 -9.681 -8.818 -3.052
40 H GLU 10 H GLU 10 -10.926 -6.476 -3.793
41 HA GLU 10 HA GLU 10 -9.985 -6.066 -6.554
42 HB2 GLU 10 1HB GLU 10 -12.101 -4.599 -4.977
43 HB3 GLU 10 2HB GLU 10 -11.484 -4.045 -6.527
44 HG2 GLU 10 1HG GLU 10 -13.542 -5.187 -6.897
45 HG3 GLU 10 2HG GLU 10 -12.233 -6.183 -7.532
46 H LYS 11 H LYS 11 -8.030 -5.183 -6.571
47 HA LYS 11 HA LYS 11 -7.388 -3.143 -4.544
48 HB2 LYS 11 1HB LYS 11 -5.423 -4.805 -6.125
49 HB3 LYS 11 2HB LYS 11 -5.066 -3.742 -4.770
50 HG2 LYS 11 1HG LYS 11 -6.046 -5.205 -3.221
51 HG3 LYS 11 2HG LYS 11 -6.864 -6.127 -4.486
52 HD2 LYS 11 1HD LYS 11 -3.894 -5.981 -4.555
53 HD3 LYS 11 2HD LYS 11 -4.647 -7.004 -3.330
54 HE2 LYS 11 1HE LYS 11 -5.382 -7.169 -6.240
55 HE3 LYS 11 2HE LYS 11 -4.052 -8.099 -5.551
56 HZ1 LYS 11 3HZ LYS 11 -6.933 -8.392 -5.143
57 HZ2 LYS 11 1HZ LYS 11 -5.918 -8.747 -3.837
58 HZ3 LYS 11 2HZ LYS 11 -5.737 -9.579 -5.298
59 HA PRO 12 HA PRO 12 -7.632 -0.858 -8.533
60 HB2 PRO 12 1HB PRO 12 -8.640 1.403 -7.418
61 HB3 PRO 12 2HB PRO 12 -9.653 0.040 -7.908
62 HG2 PRO 12 1HG PRO 12 -8.638 0.764 -5.187
63 HG3 PRO 12 2HG PRO 12 -10.251 0.204 -5.667
64 HD2 PRO 12 1HD PRO 12 -8.411 -1.440 -4.552
65 HD3 PRO 12 2HD PRO 12 -9.599 -2.006 -5.743
66 H PHE 13 H PHE 13 -5.869 -0.638 -5.683
67 HA PHE 13 HA PHE 13 -3.960 1.163 -6.934
68 HB2 PHE 13 1HB PHE 13 -5.277 1.726 -4.277
69 HB3 PHE 13 2HB PHE 13 -3.750 2.458 -4.758
70 HD1 PHE 13 HD2 PHE 13 -7.256 2.031 -5.931
71 HD2 PHE 13 HD1 PHE 13 -3.761 4.460 -5.903
72 HE1 PHE 13 HE2 PHE 13 -8.485 3.807 -7.110
73 HE2 PHE 13 HE1 PHE 13 -4.984 6.240 -7.081
74 HZ PHE 13 HZ PHE 13 -7.349 5.915 -7.688
75 H GLU 14 H GLU 14 -2.147 0.019 -6.902
76 HA GLU 14 HA GLU 14 -1.250 -1.142 -4.377
77 HB2 GLU 14 1HB GLU 14 -0.698 -3.273 -5.353
78 HB3 GLU 14 2HB GLU 14 -2.402 -2.950 -5.639
79 HG2 GLU 14 1HG GLU 14 -1.751 -3.743 -7.681
80 HG3 GLU 14 2HG GLU 14 -1.555 -2.006 -7.913
81 H CYS 15 H CYS 15 1.046 -1.648 -4.363
82 HA CYS 15 HA CYS 15 2.530 0.217 -6.055
83 HB2 CYS 15 1HB CYS 15 2.894 0.430 -3.665
84 HB3 CYS 15 2HB CYS 15 3.322 -1.274 -3.546
85 H ALA 16 H ALA 16 3.936 -0.402 -7.582
86 HA ALA 16 HA ALA 16 4.361 -3.290 -7.944
87 HB1 ALA 16 3HB ALA 16 4.955 -1.329 -10.104
88 HB2 ALA 16 1HB ALA 16 4.372 -2.991 -10.213
89 HB3 ALA 16 2HB ALA 16 3.271 -1.699 -9.731
90 H GLU 17 H GLU 17 5.923 -1.815 -6.069
91 HA GLU 17 HA GLU 17 8.563 -1.987 -7.365
92 HB2 GLU 17 1HB GLU 17 7.598 -0.009 -5.301
93 HB3 GLU 17 2HB GLU 17 9.301 -0.266 -5.653
94 HG2 GLU 17 1HG GLU 17 8.651 0.234 -8.091
95 HG3 GLU 17 2HG GLU 17 7.177 0.908 -7.398
96 H CYS 18 H CYS 18 7.053 -1.914 -4.131
97 HA CYS 18 HA CYS 18 9.051 -3.848 -3.208
98 HB2 CYS 18 1HB CYS 18 8.370 -3.247 -0.959
99 HB3 CYS 18 2HB CYS 18 8.701 -1.783 -1.878
100 H GLY 19 H GLY 19 5.534 -3.347 -3.289
101 HA2 GLY 19 1HA GLY 19 4.238 -5.344 -4.002
102 HA3 GLY 19 2HA GLY 19 5.223 -6.256 -2.868
103 H LYS 20 H LYS 20 2.997 -3.482 -2.980
104 HA LYS 20 HA LYS 20 1.636 -4.533 -0.627
105 HB2 LYS 20 1HB LYS 20 3.122 -1.941 -0.729
106 HB3 LYS 20 2HB LYS 20 1.638 -2.032 0.209
107 HG2 LYS 20 1HG LYS 20 2.528 -3.547 1.716
108 HG3 LYS 20 2HG LYS 20 3.798 -4.059 0.603
109 HD2 LYS 20 1HD LYS 20 4.910 -1.909 0.854
110 HD3 LYS 20 2HD LYS 20 3.618 -1.347 1.917
111 HE2 LYS 20 1HE LYS 20 5.251 -2.000 3.421
112 HE3 LYS 20 2HE LYS 20 4.222 -3.429 3.338
113 HZ1 LYS 20 3HZ LYS 20 5.958 -3.954 1.394
114 HZ2 LYS 20 1HZ LYS 20 6.178 -4.451 2.996
115 HZ3 LYS 20 2HZ LYS 20 6.952 -3.058 2.429
116 H SER 21 H SER 21 -0.436 -4.611 -1.161
117 HA SER 21 HA SER 21 -1.487 -2.711 -3.125
118 HB2 SER 21 1HB SER 21 -3.505 -4.316 -3.026
119 HB3 SER 21 2HB SER 21 -2.021 -4.911 -3.770
120 HG SER 21 HG SER 21 -2.714 -6.472 -2.361
121 H PHE 22 H PHE 22 -3.497 -1.636 -2.774
122 HA PHE 22 HA PHE 22 -4.335 -1.427 0.033
123 HB2 PHE 22 1HB PHE 22 -3.868 0.927 -1.811
124 HB3 PHE 22 2HB PHE 22 -4.479 1.011 -0.162
125 HD1 PHE 22 HD2 PHE 22 -3.007 0.641 1.732
126 HD2 PHE 22 HD1 PHE 22 -1.540 0.523 -2.262
127 HE1 PHE 22 HE2 PHE 22 -0.702 0.814 2.577
128 HE2 PHE 22 HE1 PHE 22 0.767 0.695 -1.424
129 HZ PHE 22 HZ PHE 22 1.188 0.842 0.998
130 H SER 23 H SER 23 -6.363 0.228 -0.018
131 HA SER 23 HA SER 23 -8.244 -1.024 -1.890
132 HB2 SER 23 1HB SER 23 -8.577 -1.072 0.666
133 HB3 SER 23 2HB SER 23 -9.012 0.630 0.510
134 HG SER 23 HG SER 23 -10.791 0.097 -0.590
135 H ILE 24 H ILE 24 -7.258 2.131 -0.623
136 HA ILE 24 HA ILE 24 -8.593 3.382 -2.934
137 HB ILE 24 HB ILE 24 -8.778 5.445 -1.553
138 HG12 ILE 24 1HG1 ILE 24 -8.331 3.753 0.881
139 HG13 ILE 24 2HG1 ILE 24 -6.953 4.495 0.075
140 HG21 ILE 24 1HG2 ILE 24 -10.807 4.841 -0.652
141 HG22 ILE 24 2HG2 ILE 24 -10.535 3.529 -1.797
142 HG23 ILE 24 3HG2 ILE 24 -10.211 3.282 -0.082
143 HD11 ILE 24 3HD1 ILE 24 -7.847 5.807 1.972
144 HD12 ILE 24 1HD1 ILE 24 -7.841 6.683 0.442
145 HD13 ILE 24 2HD1 ILE 24 -9.348 6.015 1.071
146 H SER 25 H SER 25 -7.603 5.766 -3.133
147 HA SER 25 HA SER 25 -4.871 5.350 -3.897
148 HB2 SER 25 1HB SER 25 -6.559 6.774 -5.151
149 HB3 SER 25 2HB SER 25 -6.358 7.980 -3.880
150 HG SER 25 HG SER 25 -4.599 8.584 -4.832
151 H SER 26 H SER 26 -6.500 7.482 -1.559
152 HA SER 26 HA SER 26 -4.407 8.861 -0.508
153 HB2 SER 26 1HB SER 26 -6.952 8.734 0.184
154 HB3 SER 26 2HB SER 26 -6.339 7.644 1.427
155 HG SER 26 HG SER 26 -5.985 10.377 1.123
156 H GLN 27 H GLN 27 -5.144 5.477 -0.036
157 HA GLN 27 HA GLN 27 -3.338 5.051 2.124
158 HB2 GLN 27 1HB GLN 27 -4.613 3.150 0.156
159 HB3 GLN 27 2HB GLN 27 -3.610 2.626 1.502
160 HG2 GLN 27 1HG GLN 27 -5.984 4.373 1.985
161 HG3 GLN 27 2HG GLN 27 -6.183 2.637 1.749
162 HE21 GLN 27 1HE2 GLN 27 -5.566 5.065 3.961
163 HE22 GLN 27 2HE2 GLN 27 -5.034 4.088 5.283
164 H LEU 28 H LEU 28 -3.146 4.331 -1.358
165 HA LEU 28 HA LEU 28 -0.502 3.358 -1.303
166 HB2 LEU 28 1HB LEU 28 -1.972 2.870 -3.147
167 HB3 LEU 28 2HB LEU 28 -2.112 4.583 -3.536
168 HG LEU 28 HG LEU 28 0.309 4.583 -4.122
169 HD11 LEU 28 1HD1 LEU 28 1.546 2.885 -3.400
170 HD12 LEU 28 2HD1 LEU 28 0.785 1.899 -4.647
171 HD13 LEU 28 3HD1 LEU 28 0.121 1.921 -3.014
172 HD21 LEU 28 3HD2 LEU 28 -1.843 3.836 -5.618
173 HD22 LEU 28 1HD2 LEU 28 -0.745 2.478 -5.865
174 HD23 LEU 28 2HD2 LEU 28 -0.220 4.117 -6.250
175 H ALA 29 H ALA 29 -1.838 6.581 -1.602
176 HA ALA 29 HA ALA 29 0.462 7.919 -2.507
177 HB1 ALA 29 3HB ALA 29 -1.211 9.400 -2.663
178 HB2 ALA 29 1HB ALA 29 -2.116 8.663 -1.340
179 HB3 ALA 29 2HB ALA 29 -0.810 9.798 -0.993
180 H THR 30 H THR 30 -0.756 7.378 0.791
181 HA THR 30 HA THR 30 1.333 8.720 2.119
182 HB THR 30 HB THR 30 -0.070 6.379 3.365
183 HG1 THR 30 HG1 THR 30 -1.851 7.334 2.626
184 HG21 THR 30 3HG2 THR 30 1.632 7.692 4.621
185 HG22 THR 30 1HG2 THR 30 0.030 7.733 5.356
186 HG23 THR 30 2HG2 THR 30 0.613 9.119 4.434
187 H HIS 31 H HIS 31 1.244 5.706 0.523
188 HA HIS 31 HA HIS 31 3.496 4.609 2.008
189 HB2 HIS 31 1HB HIS 31 1.882 2.971 1.436
190 HB3 HIS 31 2HB HIS 31 1.767 3.550 -0.223
191 HD1 HIS 31 HD1 HIS 31 4.291 1.844 2.046
192 HD2 HIS 31 HD2 HIS 31 3.327 2.188 -1.980
193 HE1 HIS 31 HE1 HIS 31 5.817 0.242 0.850
194 H GLN 32 H GLN 32 2.743 5.841 -1.220
195 HA GLN 32 HA GLN 32 5.157 5.288 -2.484
196 HB2 GLN 32 1HB GLN 32 3.087 7.426 -2.859
197 HB3 GLN 32 2HB GLN 32 4.562 7.445 -3.816
198 HG2 GLN 32 1HG GLN 32 4.011 5.088 -4.503
199 HG3 GLN 32 2HG GLN 32 2.436 5.325 -3.747
200 HE21 GLN 32 1HE2 GLN 32 0.957 6.715 -4.689
201 HE22 GLN 32 2HE2 GLN 32 1.132 7.298 -6.306
202 H ARG 33 H ARG 33 4.561 7.355 0.120
203 HA ARG 33 HA ARG 33 6.455 9.393 -0.355
204 HB2 ARG 33 1HB ARG 33 5.708 8.361 2.374
205 HB3 ARG 33 2HB ARG 33 6.172 9.995 1.916
206 HG2 ARG 33 1HG ARG 33 3.999 9.793 0.415
207 HG3 ARG 33 2HG ARG 33 3.563 8.615 1.655
208 HD2 ARG 33 1HD ARG 33 4.134 10.391 3.360
209 HD3 ARG 33 2HD ARG 33 4.224 11.529 2.016
210 HE ARG 33 HE ARG 33 1.847 10.418 3.193
211 HH11 ARG 33 1HH1 ARG 33 3.232 11.862 0.344
212 HH12 ARG 33 2HH1 ARG 33 1.714 12.435 -0.263
213 HH21 ARG 33 1HH2 ARG 33 -0.158 11.167 2.404
214 HH22 ARG 33 2HH2 ARG 33 -0.214 12.039 0.910
215 H ILE 34 H ILE 34 6.677 6.376 1.521
216 HA ILE 34 HA ILE 34 9.386 6.685 2.243
217 HB ILE 34 HB ILE 34 9.353 4.360 2.880
218 HG12 ILE 34 1HG1 ILE 34 6.599 3.965 1.788
219 HG13 ILE 34 2HG1 ILE 34 7.967 3.816 0.691
220 HG21 ILE 34 1HG2 ILE 34 7.183 4.343 4.222
221 HG22 ILE 34 2HG2 ILE 34 8.277 5.703 4.470
222 HG23 ILE 34 3HG2 ILE 34 6.842 5.898 3.464
223 HD11 ILE 34 3HD1 ILE 34 8.069 2.332 3.256
224 HD12 ILE 34 1HD1 ILE 34 6.991 1.746 1.990
225 HD13 ILE 34 2HD1 ILE 34 8.719 1.908 1.672
226 H HIS 35 H HIS 35 8.026 6.140 -0.752
227 HA HIS 35 HA HIS 35 10.320 4.623 -1.762
228 HB2 HIS 35 1HB HIS 35 7.575 5.200 -2.816
229 HB3 HIS 35 2HB HIS 35 8.862 4.759 -3.935
230 HD1 HIS 35 HD1 HIS 35 10.258 2.551 -2.362
231 HD2 HIS 35 HD2 HIS 35 6.129 2.910 -2.655
232 HE1 HIS 35 HE1 HIS 35 9.350 0.250 -1.912
233 H THR 36 H THR 36 8.742 7.741 -1.977
234 HA THR 36 HA THR 36 10.761 8.655 -3.904
235 HB THR 36 HB THR 36 8.429 9.112 -4.521
236 HG1 THR 36 HG1 THR 36 9.955 11.414 -3.809
237 HG21 THR 36 3HG2 THR 36 7.781 11.235 -2.769
238 HG22 THR 36 1HG2 THR 36 8.220 9.852 -1.768
239 HG23 THR 36 2HG2 THR 36 6.940 9.698 -2.972
240 H GLY 37 H GLY 37 12.076 10.424 -3.489
241 HA2 GLY 37 1HA GLY 37 12.309 11.115 -0.637
242 HA3 GLY 37 2HA GLY 37 13.609 11.211 -1.815
243 H GLU 38 H GLU 38 13.690 12.972 -3.254
244 HA GLU 38 HA GLU 38 11.784 15.144 -2.794
245 HB2 GLU 38 1HB GLU 38 14.692 15.180 -2.158
246 HB3 GLU 38 2HB GLU 38 13.997 16.630 -2.868
247 HG2 GLU 38 1HG GLU 38 12.206 16.366 -1.008
248 HG3 GLU 38 2HG GLU 38 13.425 15.354 -0.235
249 H LYS 39 H LYS 39 11.431 16.442 -4.545
250 HA LYS 39 HA LYS 39 12.926 15.764 -6.993
251 HB2 LYS 39 1HB LYS 39 10.461 15.079 -6.831
252 HB3 LYS 39 2HB LYS 39 10.096 16.796 -6.941
253 HG2 LYS 39 1HG LYS 39 11.034 16.945 -9.114
254 HG3 LYS 39 2HG LYS 39 11.734 15.329 -8.992
255 HD2 LYS 39 1HD LYS 39 9.468 14.376 -8.896
256 HD3 LYS 39 2HD LYS 39 8.790 15.997 -9.064
257 HE2 LYS 39 1HE LYS 39 10.054 16.186 -11.228
258 HE3 LYS 39 2HE LYS 39 10.448 14.475 -11.067
259 HZ1 LYS 39 3HZ LYS 39 8.546 14.123 -12.140
260 HZ2 LYS 39 1HZ LYS 39 8.007 15.711 -11.916
261 HZ3 LYS 39 2HZ LYS 39 7.755 14.555 -10.708
262 HA PRO 40 HA PRO 40 13.726 20.227 -6.141
263 HB2 PRO 40 1HB PRO 40 16.305 20.147 -6.987
264 HB3 PRO 40 2HB PRO 40 15.820 19.725 -5.340
265 HG2 PRO 40 1HG PRO 40 16.419 17.928 -7.658
266 HG3 PRO 40 2HG PRO 40 16.902 17.762 -5.960
267 HD2 PRO 40 1HD PRO 40 14.832 16.381 -7.027
268 HD3 PRO 40 2HD PRO 40 14.857 16.905 -5.331
269 H SER 41 H SER 41 13.609 18.203 -8.846
270 HA SER 41 HA SER 41 14.154 20.386 -10.726
271 HB2 SER 41 1HB SER 41 15.228 18.145 -11.083
272 HB3 SER 41 2HB SER 41 13.619 17.474 -11.351
273 HG SER 41 HG SER 41 15.151 18.559 -13.141
274 H GLY 42 H GLY 42 12.490 21.588 -11.341
275 HA2 GLY 42 1HA GLY 42 10.369 22.230 -11.937
276 HA3 GLY 42 2HA GLY 42 10.160 20.583 -12.514
277 HA PRO 43 HA PRO 43 8.708 20.531 -7.904
278 HB2 PRO 43 1HB PRO 43 8.588 22.924 -6.628
279 HB3 PRO 43 2HB PRO 43 10.027 21.897 -6.612
280 HG2 PRO 43 1HG PRO 43 9.429 24.294 -8.304
281 HG3 PRO 43 2HG PRO 43 10.936 23.855 -7.478
282 HD2 PRO 43 1HD PRO 43 10.552 23.440 -10.126
283 HD3 PRO 43 2HD PRO 43 11.554 22.368 -9.127
284 H SER 44 H SER 44 7.894 23.133 -10.071
285 HA SER 44 HA SER 44 5.064 22.580 -9.662
286 HB2 SER 44 1HB SER 44 4.522 25.004 -9.499
287 HB3 SER 44 2HB SER 44 5.446 24.416 -8.117
288 HG SER 44 HG SER 44 7.140 25.562 -8.736
289 H SER 45 H SER 45 3.772 23.061 -11.439
290 HA SER 45 HA SER 45 5.259 23.768 -13.882
291 HB2 SER 45 1HB SER 45 2.723 22.129 -13.696
292 HB3 SER 45 2HB SER 45 3.713 22.390 -15.131
293 HG SER 45 HG SER 45 3.938 20.444 -13.412
294 H GLY 46 H GLY 46 4.921 25.958 -13.944
295 HA2 GLY 46 1HA GLY 46 2.702 27.001 -15.169
296 HA3 GLY 46 2HA GLY 46 2.356 27.137 -13.451
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.393 -25.802 -13.382
2 HA2 GLY 1 1HA GLY 1 -8.327 -25.078 -15.360
3 HA3 GLY 1 2HA GLY 1 -9.396 -23.855 -14.688
4 H SER 2 H SER 2 -8.661 -22.762 -12.996
5 HA SER 2 HA SER 2 -6.183 -22.845 -11.945
6 HB2 SER 2 1HB SER 2 -8.656 -22.258 -10.300
7 HB3 SER 2 2HB SER 2 -7.022 -21.676 -9.982
8 HG SER 2 HG SER 2 -7.137 -20.368 -11.737
9 H SER 3 H SER 3 -4.994 -24.197 -10.777
10 HA SER 3 HA SER 3 -6.172 -26.625 -9.753
11 HB2 SER 3 1HB SER 3 -3.718 -27.049 -9.059
12 HB3 SER 3 2HB SER 3 -4.088 -26.981 -10.782
13 HG SER 3 HG SER 3 -3.390 -24.597 -9.516
14 H GLY 4 H GLY 4 -5.731 -23.552 -8.541
15 HA2 GLY 4 1HA GLY 4 -6.806 -23.726 -6.130
16 HA3 GLY 4 2HA GLY 4 -5.220 -24.403 -5.794
17 H SER 5 H SER 5 -6.692 -21.849 -5.005
18 HA SER 5 HA SER 5 -4.389 -20.170 -4.985
19 HB2 SER 5 1HB SER 5 -5.495 -18.250 -6.198
20 HB3 SER 5 2HB SER 5 -5.016 -19.599 -7.229
21 HG SER 5 HG SER 5 -7.138 -20.262 -7.319
22 H SER 6 H SER 6 -4.454 -19.340 -3.016
23 HA SER 6 HA SER 6 -7.069 -18.781 -1.795
24 HB2 SER 6 1HB SER 6 -5.990 -18.999 0.353
25 HB3 SER 6 2HB SER 6 -5.538 -20.391 -0.631
26 HG SER 6 HG SER 6 -3.975 -18.414 0.418
27 H GLY 7 H GLY 7 -6.133 -16.926 -3.635
28 HA2 GLY 7 1HA GLY 7 -6.407 -14.553 -3.446
29 HA3 GLY 7 2HA GLY 7 -5.654 -14.629 -1.860
30 H THR 8 H THR 8 -5.164 -13.459 -4.804
31 HA THR 8 HA THR 8 -2.254 -13.933 -4.723
32 HB THR 8 HB THR 8 -3.879 -13.198 -7.164
33 HG1 THR 8 HG1 THR 8 -3.669 -15.358 -7.740
34 HG21 THR 8 3HG2 THR 8 -1.041 -13.293 -6.582
35 HG22 THR 8 1HG2 THR 8 -1.877 -12.649 -7.994
36 HG23 THR 8 2HG2 THR 8 -1.471 -14.363 -7.915
37 H GLY 9 H GLY 9 -4.807 -11.560 -5.344
38 HA2 GLY 9 1HA GLY 9 -4.397 -9.371 -4.214
39 HA3 GLY 9 2HA GLY 9 -2.796 -9.432 -4.934
40 H GLU 10 H GLU 10 -6.200 -8.926 -5.530
41 HA GLU 10 HA GLU 10 -5.499 -7.741 -8.134
42 HB2 GLU 10 1HB GLU 10 -7.914 -8.341 -8.769
43 HB3 GLU 10 2HB GLU 10 -6.730 -9.640 -8.735
44 HG2 GLU 10 1HG GLU 10 -8.437 -9.061 -6.350
45 HG3 GLU 10 2HG GLU 10 -9.044 -10.034 -7.688
46 H LYS 11 H LYS 11 -5.222 -5.811 -6.738
47 HA LYS 11 HA LYS 11 -7.810 -4.542 -6.124
48 HB2 LYS 11 1HB LYS 11 -5.141 -4.412 -4.797
49 HB3 LYS 11 2HB LYS 11 -6.162 -2.981 -4.754
50 HG2 LYS 11 1HG LYS 11 -7.989 -4.554 -3.878
51 HG3 LYS 11 2HG LYS 11 -6.668 -5.685 -3.573
52 HD2 LYS 11 1HD LYS 11 -5.552 -3.711 -2.347
53 HD3 LYS 11 2HD LYS 11 -7.161 -2.986 -2.357
54 HE2 LYS 11 1HE LYS 11 -6.590 -5.744 -1.291
55 HE3 LYS 11 2HE LYS 11 -6.567 -4.294 -0.288
56 HZ1 LYS 11 3HZ LYS 11 -8.737 -4.573 -0.034
57 HZ2 LYS 11 1HZ LYS 11 -8.788 -5.817 -1.180
58 HZ3 LYS 11 2HZ LYS 11 -8.946 -4.207 -1.672
59 HA PRO 12 HA PRO 12 -7.081 -1.407 -9.106
60 HB2 PRO 12 1HB PRO 12 -8.060 0.800 -7.865
61 HB3 PRO 12 2HB PRO 12 -9.095 -0.490 -8.488
62 HG2 PRO 12 1HG PRO 12 -8.160 0.003 -5.687
63 HG3 PRO 12 2HG PRO 12 -9.770 -0.467 -6.263
64 HD2 PRO 12 1HD PRO 12 -8.023 -2.247 -5.207
65 HD3 PRO 12 2HD PRO 12 -9.183 -2.686 -6.477
66 H PHE 13 H PHE 13 -5.842 -0.886 -5.869
67 HA PHE 13 HA PHE 13 -3.784 0.904 -6.985
68 HB2 PHE 13 1HB PHE 13 -4.780 0.792 -4.130
69 HB3 PHE 13 2HB PHE 13 -3.578 1.909 -4.769
70 HD1 PHE 13 HD1 PHE 13 -4.365 3.412 -6.741
71 HD2 PHE 13 HD2 PHE 13 -6.991 1.433 -4.038
72 HE1 PHE 13 HE1 PHE 13 -6.150 5.007 -7.312
73 HE2 PHE 13 HE2 PHE 13 -8.780 3.024 -4.606
74 HZ PHE 13 HZ PHE 13 -8.361 4.813 -6.245
75 H GLU 14 H GLU 14 -2.171 -0.505 -7.459
76 HA GLU 14 HA GLU 14 -1.143 -2.135 -5.228
77 HB2 GLU 14 1HB GLU 14 -2.151 -3.403 -7.195
78 HB3 GLU 14 2HB GLU 14 -0.794 -2.813 -8.145
79 HG2 GLU 14 1HG GLU 14 0.762 -3.928 -6.650
80 HG3 GLU 14 2HG GLU 14 -0.579 -4.489 -5.654
81 H CYS 15 H CYS 15 0.821 -1.599 -4.558
82 HA CYS 15 HA CYS 15 2.337 0.436 -5.850
83 HB2 CYS 15 1HB CYS 15 2.340 0.171 -3.412
84 HB3 CYS 15 2HB CYS 15 3.097 -1.410 -3.576
85 H ALA 16 H ALA 16 3.878 0.273 -7.342
86 HA ALA 16 HA ALA 16 4.767 -2.407 -8.132
87 HB1 ALA 16 3HB ALA 16 5.279 0.105 -9.689
88 HB2 ALA 16 1HB ALA 16 5.202 -1.561 -10.263
89 HB3 ALA 16 2HB ALA 16 3.727 -0.729 -9.769
90 H GLU 17 H GLU 17 5.864 -1.202 -5.778
91 HA GLU 17 HA GLU 17 8.656 -0.843 -6.648
92 HB2 GLU 17 1HB GLU 17 7.226 0.467 -4.332
93 HB3 GLU 17 2HB GLU 17 8.966 0.528 -4.572
94 HG2 GLU 17 1HG GLU 17 8.170 2.546 -5.425
95 HG3 GLU 17 2HG GLU 17 8.463 1.542 -6.844
96 H CYS 18 H CYS 18 6.605 -1.847 -3.918
97 HA CYS 18 HA CYS 18 8.700 -3.780 -3.169
98 HB2 CYS 18 1HB CYS 18 7.686 -3.719 -0.890
99 HB3 CYS 18 2HB CYS 18 8.365 -2.176 -1.399
100 H GLY 19 H GLY 19 5.177 -3.293 -3.288
101 HA2 GLY 19 1HA GLY 19 3.984 -5.117 -4.526
102 HA3 GLY 19 2HA GLY 19 4.889 -6.226 -3.506
103 H LYS 20 H LYS 20 3.086 -3.234 -2.815
104 HA LYS 20 HA LYS 20 1.376 -4.792 -0.995
105 HB2 LYS 20 1HB LYS 20 2.836 -2.217 -0.469
106 HB3 LYS 20 2HB LYS 20 1.375 -2.624 0.422
107 HG2 LYS 20 1HG LYS 20 2.375 -4.489 1.430
108 HG3 LYS 20 2HG LYS 20 3.716 -4.494 0.282
109 HD2 LYS 20 1HD LYS 20 4.391 -2.260 1.217
110 HD3 LYS 20 2HD LYS 20 3.178 -2.499 2.477
111 HE2 LYS 20 1HE LYS 20 4.306 -4.525 3.205
112 HE3 LYS 20 2HE LYS 20 5.486 -4.357 1.906
113 HZ1 LYS 20 3HZ LYS 20 6.656 -3.358 3.534
114 HZ2 LYS 20 1HZ LYS 20 5.287 -2.926 4.429
115 HZ3 LYS 20 2HZ LYS 20 5.747 -2.002 3.089
116 H SER 21 H SER 21 -0.759 -4.381 -1.112
117 HA SER 21 HA SER 21 -1.611 -2.298 -3.002
118 HB2 SER 21 1HB SER 21 -3.631 -3.589 -3.332
119 HB3 SER 21 2HB SER 21 -2.244 -4.664 -3.506
120 HG SER 21 HG SER 21 -2.899 -5.754 -1.832
121 H PHE 22 H PHE 22 -3.619 -1.150 -2.529
122 HA PHE 22 HA PHE 22 -4.237 -0.951 0.334
123 HB2 PHE 22 1HB PHE 22 -3.641 1.366 -1.516
124 HB3 PHE 22 2HB PHE 22 -4.323 1.534 0.098
125 HD1 PHE 22 HD2 PHE 22 -2.973 1.105 2.072
126 HD2 PHE 22 HD1 PHE 22 -1.327 0.803 -1.841
127 HE1 PHE 22 HE2 PHE 22 -0.706 1.143 3.027
128 HE2 PHE 22 HE1 PHE 22 0.943 0.840 -0.892
129 HZ PHE 22 HZ PHE 22 1.256 1.012 1.544
130 H SER 23 H SER 23 -6.310 0.023 0.798
131 HA SER 23 HA SER 23 -8.345 -0.894 -0.951
132 HB2 SER 23 1HB SER 23 -8.554 -0.752 1.542
133 HB3 SER 23 2HB SER 23 -8.650 1.003 1.388
134 HG SER 23 HG SER 23 -10.386 -0.489 -0.188
135 H ILE 24 H ILE 24 -7.315 2.379 -0.004
136 HA ILE 24 HA ILE 24 -8.672 3.401 -2.413
137 HB ILE 24 HB ILE 24 -8.554 5.641 -1.097
138 HG12 ILE 24 1HG1 ILE 24 -8.342 3.602 1.127
139 HG13 ILE 24 2HG1 ILE 24 -7.188 4.878 0.754
140 HG21 ILE 24 1HG2 ILE 24 -10.629 4.585 -1.721
141 HG22 ILE 24 2HG2 ILE 24 -10.486 3.438 -0.390
142 HG23 ILE 24 3HG2 ILE 24 -10.744 5.150 -0.055
143 HD11 ILE 24 3HD1 ILE 24 -9.309 6.403 1.152
144 HD12 ILE 24 1HD1 ILE 24 -9.804 5.023 2.132
145 HD13 ILE 24 2HD1 ILE 24 -8.287 5.853 2.479
146 H SER 25 H SER 25 -7.689 5.493 -3.217
147 HA SER 25 HA SER 25 -4.986 5.047 -3.894
148 HB2 SER 25 1HB SER 25 -5.116 7.333 -4.913
149 HB3 SER 25 2HB SER 25 -6.422 6.257 -5.414
150 HG SER 25 HG SER 25 -6.813 8.584 -4.568
151 H SER 26 H SER 26 -6.429 7.678 -1.961
152 HA SER 26 HA SER 26 -4.298 9.061 -1.118
153 HB2 SER 26 1HB SER 26 -6.760 8.191 0.344
154 HB3 SER 26 2HB SER 26 -5.503 9.053 1.231
155 HG SER 26 HG SER 26 -7.036 9.932 -0.969
156 H GLN 27 H GLN 27 -5.361 6.038 0.438
157 HA GLN 27 HA GLN 27 -3.379 5.827 2.353
158 HB2 GLN 27 1HB GLN 27 -5.110 3.883 0.918
159 HB3 GLN 27 2HB GLN 27 -3.741 3.236 1.812
160 HG2 GLN 27 1HG GLN 27 -6.093 4.773 2.851
161 HG3 GLN 27 2HG GLN 27 -5.547 3.156 3.295
162 HE21 GLN 27 1HE2 GLN 27 -6.005 5.794 4.758
163 HE22 GLN 27 2HE2 GLN 27 -4.574 5.987 5.707
164 H LEU 28 H LEU 28 -3.365 4.319 -0.881
165 HA LEU 28 HA LEU 28 -0.837 3.219 -0.819
166 HB2 LEU 28 1HB LEU 28 -2.305 2.713 -2.618
167 HB3 LEU 28 2HB LEU 28 -2.398 4.406 -3.100
168 HG LEU 28 HG LEU 28 0.116 4.180 -3.610
169 HD11 LEU 28 1HD1 LEU 28 -0.649 1.267 -3.693
170 HD12 LEU 28 2HD1 LEU 28 0.363 2.003 -2.451
171 HD13 LEU 28 3HD1 LEU 28 0.908 1.973 -4.128
172 HD21 LEU 28 3HD2 LEU 28 -1.865 4.305 -5.222
173 HD22 LEU 28 1HD2 LEU 28 -1.681 2.558 -5.385
174 HD23 LEU 28 2HD2 LEU 28 -0.354 3.630 -5.836
175 H ALA 29 H ALA 29 -1.767 6.495 -1.823
176 HA ALA 29 HA ALA 29 0.712 7.427 -2.645
177 HB1 ALA 29 3HB ALA 29 -0.423 9.311 -2.957
178 HB2 ALA 29 1HB ALA 29 -1.818 8.524 -2.220
179 HB3 ALA 29 2HB ALA 29 -0.721 9.484 -1.227
180 H THR 30 H THR 30 -0.707 7.449 0.611
181 HA THR 30 HA THR 30 1.399 8.790 1.898
182 HB THR 30 HB THR 30 -0.380 6.702 3.164
183 HG1 THR 30 HG1 THR 30 -0.865 9.459 2.630
184 HG21 THR 30 3HG2 THR 30 0.138 8.985 4.790
185 HG22 THR 30 1HG2 THR 30 1.674 8.377 4.174
186 HG23 THR 30 2HG2 THR 30 0.597 7.306 5.071
187 H HIS 31 H HIS 31 1.250 5.663 0.582
188 HA HIS 31 HA HIS 31 3.334 4.594 2.319
189 HB2 HIS 31 1HB HIS 31 1.791 2.918 1.857
190 HB3 HIS 31 2HB HIS 31 1.564 3.444 0.192
191 HD1 HIS 31 HD1 HIS 31 3.973 1.525 2.362
192 HD2 HIS 31 HD2 HIS 31 3.217 2.243 -1.660
193 HE1 HIS 31 HE1 HIS 31 5.445 -0.080 1.104
194 H GLN 32 H GLN 32 2.872 4.818 -1.215
195 HA GLN 32 HA GLN 32 5.392 4.280 -2.074
196 HB2 GLN 32 1HB GLN 32 3.395 6.278 -3.117
197 HB3 GLN 32 2HB GLN 32 4.911 5.958 -3.948
198 HG2 GLN 32 1HG GLN 32 4.313 3.686 -4.327
199 HG3 GLN 32 2HG GLN 32 2.898 3.828 -3.285
200 HE21 GLN 32 1HE2 GLN 32 4.196 4.328 -6.415
201 HE22 GLN 32 2HE2 GLN 32 2.752 4.906 -7.167
202 H ARG 33 H ARG 33 4.382 7.029 -0.272
203 HA ARG 33 HA ARG 33 6.228 8.966 -0.943
204 HB2 ARG 33 1HB ARG 33 5.734 9.997 1.088
205 HB3 ARG 33 2HB ARG 33 4.305 9.017 0.786
206 HG2 ARG 33 1HG ARG 33 4.966 7.396 2.376
207 HG3 ARG 33 2HG ARG 33 6.583 8.091 2.511
208 HD2 ARG 33 1HD ARG 33 5.615 10.128 3.475
209 HD3 ARG 33 2HD ARG 33 4.007 9.417 3.351
210 HE ARG 33 HE ARG 33 5.453 7.621 4.821
211 HH11 ARG 33 1HH1 ARG 33 4.689 11.006 5.101
212 HH12 ARG 33 2HH1 ARG 33 4.736 11.007 6.832
213 HH21 ARG 33 1HH2 ARG 33 5.518 7.610 7.101
214 HH22 ARG 33 2HH2 ARG 33 5.209 9.075 7.969
215 H ILE 34 H ILE 34 6.640 6.140 1.124
216 HA ILE 34 HA ILE 34 9.229 6.823 2.068
217 HB ILE 34 HB ILE 34 9.391 4.563 2.871
218 HG12 ILE 34 1HG1 ILE 34 6.816 3.753 1.597
219 HG13 ILE 34 2HG1 ILE 34 8.274 3.731 0.610
220 HG21 ILE 34 1HG2 ILE 34 8.062 5.499 4.425
221 HG22 ILE 34 2HG2 ILE 34 6.920 6.109 3.229
222 HG23 ILE 34 3HG2 ILE 34 6.835 4.427 3.751
223 HD11 ILE 34 3HD1 ILE 34 7.477 1.620 1.960
224 HD12 ILE 34 1HD1 ILE 34 9.188 1.996 1.759
225 HD13 ILE 34 2HD1 ILE 34 8.365 2.410 3.263
226 H HIS 35 H HIS 35 8.084 5.628 -0.916
227 HA HIS 35 HA HIS 35 10.614 4.413 -1.671
228 HB2 HIS 35 1HB HIS 35 7.980 4.763 -3.099
229 HB3 HIS 35 2HB HIS 35 9.410 4.120 -3.901
230 HD1 HIS 35 HD1 HIS 35 10.480 2.199 -1.820
231 HD2 HIS 35 HD2 HIS 35 6.437 2.573 -2.703
232 HE1 HIS 35 HE1 HIS 35 9.431 0.028 -1.104
233 H THR 36 H THR 36 8.734 7.310 -2.345
234 HA THR 36 HA THR 36 10.531 8.267 -4.373
235 HB THR 36 HB THR 36 9.231 10.430 -4.080
236 HG1 THR 36 HG1 THR 36 7.144 9.916 -2.914
237 HG21 THR 36 3HG2 THR 36 7.954 9.626 -5.721
238 HG22 THR 36 1HG2 THR 36 7.059 8.615 -4.588
239 HG23 THR 36 2HG2 THR 36 8.541 8.010 -5.328
240 H GLY 37 H GLY 37 9.890 9.065 -0.970
241 HA2 GLY 37 1HA GLY 37 11.512 9.746 0.587
242 HA3 GLY 37 2HA GLY 37 12.616 10.078 -0.740
243 H GLU 38 H GLU 38 9.646 11.257 0.805
244 HA GLU 38 HA GLU 38 10.385 13.974 -0.064
245 HB2 GLU 38 1HB GLU 38 8.120 12.811 -0.757
246 HB3 GLU 38 2HB GLU 38 7.621 13.306 0.854
247 HG2 GLU 38 1HG GLU 38 8.424 15.019 -1.466
248 HG3 GLU 38 2HG GLU 38 6.917 15.029 -0.552
249 H LYS 39 H LYS 39 11.832 13.745 1.899
250 HA LYS 39 HA LYS 39 10.349 14.625 4.287
251 HB2 LYS 39 1HB LYS 39 12.220 13.582 5.626
252 HB3 LYS 39 2HB LYS 39 11.146 12.448 4.816
253 HG2 LYS 39 1HG LYS 39 13.140 11.510 4.283
254 HG3 LYS 39 2HG LYS 39 12.984 12.623 2.922
255 HD2 LYS 39 1HD LYS 39 14.603 14.036 3.715
256 HD3 LYS 39 2HD LYS 39 14.302 13.608 5.401
257 HE2 LYS 39 1HE LYS 39 15.572 11.751 3.396
258 HE3 LYS 39 2HE LYS 39 16.488 12.802 4.475
259 HZ1 LYS 39 3HZ LYS 39 14.907 11.588 6.223
260 HZ2 LYS 39 1HZ LYS 39 16.425 10.985 5.781
261 HZ3 LYS 39 2HZ LYS 39 15.026 10.360 5.065
262 HA PRO 40 HA PRO 40 12.843 18.248 4.118
263 HB2 PRO 40 1HB PRO 40 12.656 19.026 6.712
264 HB3 PRO 40 2HB PRO 40 11.321 19.182 5.564
265 HG2 PRO 40 1HG PRO 40 11.800 17.076 7.636
266 HG3 PRO 40 2HG PRO 40 10.291 17.905 7.211
267 HD2 PRO 40 1HD PRO 40 10.881 15.412 6.333
268 HD3 PRO 40 2HD PRO 40 9.921 16.559 5.377
269 H SER 41 H SER 41 13.706 15.453 5.787
270 HA SER 41 HA SER 41 15.695 14.631 6.526
271 HB2 SER 41 1HB SER 41 16.959 17.145 5.418
272 HB3 SER 41 2HB SER 41 17.743 15.594 5.717
273 HG SER 41 HG SER 41 15.555 15.781 3.953
274 H GLY 42 H GLY 42 14.079 16.109 8.300
275 HA2 GLY 42 1HA GLY 42 15.859 16.490 10.448
276 HA3 GLY 42 2HA GLY 42 15.431 18.061 9.787
277 HA PRO 43 HA PRO 43 12.064 16.107 12.626
278 HB2 PRO 43 1HB PRO 43 12.861 16.975 15.072
279 HB3 PRO 43 2HB PRO 43 13.326 15.403 14.412
280 HG2 PRO 43 1HG PRO 43 14.881 17.960 14.490
281 HG3 PRO 43 2HG PRO 43 15.428 16.307 14.826
282 HD2 PRO 43 1HD PRO 43 15.898 17.545 12.464
283 HD3 PRO 43 2HD PRO 43 15.651 15.791 12.590
284 H SER 44 H SER 44 13.344 18.992 11.684
285 HA SER 44 HA SER 44 12.441 21.068 13.088
286 HB2 SER 44 1HB SER 44 13.290 20.912 10.597
287 HB3 SER 44 2HB SER 44 11.569 21.014 10.224
288 HG SER 44 HG SER 44 13.008 23.033 10.540
289 H SER 45 H SER 45 10.344 18.970 11.148
290 HA SER 45 HA SER 45 8.127 19.392 12.896
291 HB2 SER 45 1HB SER 45 6.671 20.633 11.521
292 HB3 SER 45 2HB SER 45 8.210 21.485 11.393
293 HG SER 45 HG SER 45 6.842 20.744 9.403
294 H GLY 46 H GLY 46 6.537 17.854 12.626
295 HA2 GLY 46 1HA GLY 46 7.233 15.680 10.804
296 HA3 GLY 46 2HA GLY 46 6.100 15.590 12.145
Start of MODEL 6
1 H1 GLY 1 H GLY 1 11.104 -22.017 -7.538
2 HA2 GLY 1 1HA GLY 1 8.754 -22.692 -6.715
3 HA3 GLY 1 2HA GLY 1 9.263 -21.872 -5.246
4 H SER 2 H SER 2 7.146 -21.369 -7.390
5 HA SER 2 HA SER 2 7.947 -18.779 -8.430
6 HB2 SER 2 1HB SER 2 5.270 -20.171 -8.662
7 HB3 SER 2 2HB SER 2 5.830 -18.796 -9.613
8 HG SER 2 HG SER 2 7.570 -20.253 -10.313
9 H SER 3 H SER 3 7.901 -17.114 -7.072
10 HA SER 3 HA SER 3 5.895 -17.016 -4.951
11 HB2 SER 3 1HB SER 3 8.351 -15.334 -5.492
12 HB3 SER 3 2HB SER 3 7.235 -15.041 -4.159
13 HG SER 3 HG SER 3 8.648 -17.465 -4.600
14 H GLY 4 H GLY 4 4.067 -16.565 -6.263
15 HA2 GLY 4 1HA GLY 4 3.711 -13.735 -6.748
16 HA3 GLY 4 2HA GLY 4 3.659 -14.727 -8.198
17 H SER 5 H SER 5 1.702 -13.168 -6.245
18 HA SER 5 HA SER 5 -0.212 -15.056 -5.401
19 HB2 SER 5 1HB SER 5 -1.749 -13.103 -5.255
20 HB3 SER 5 2HB SER 5 -0.192 -12.806 -4.484
21 HG SER 5 HG SER 5 -0.087 -11.133 -5.739
22 H SER 6 H SER 6 -1.206 -16.427 -6.723
23 HA SER 6 HA SER 6 -1.452 -16.517 -9.379
24 HB2 SER 6 1HB SER 6 -3.300 -17.379 -7.206
25 HB3 SER 6 2HB SER 6 -3.899 -17.448 -8.864
26 HG SER 6 HG SER 6 -2.614 -19.314 -7.826
27 H GLY 7 H GLY 7 -3.666 -14.692 -7.280
28 HA2 GLY 7 1HA GLY 7 -5.418 -13.743 -9.214
29 HA3 GLY 7 2HA GLY 7 -5.024 -12.895 -7.726
30 H THR 8 H THR 8 -5.604 -11.675 -10.234
31 HA THR 8 HA THR 8 -3.032 -10.326 -10.712
32 HB THR 8 HB THR 8 -3.531 -11.777 -12.636
33 HG1 THR 8 HG1 THR 8 -2.566 -9.612 -12.873
34 HG21 THR 8 3HG2 THR 8 -5.583 -10.576 -13.997
35 HG22 THR 8 1HG2 THR 8 -6.176 -10.558 -12.336
36 HG23 THR 8 2HG2 THR 8 -5.710 -12.083 -13.090
37 H GLY 9 H GLY 9 -5.023 -9.505 -8.882
38 HA2 GLY 9 1HA GLY 9 -5.238 -6.837 -9.237
39 HA3 GLY 9 2HA GLY 9 -6.616 -7.445 -10.141
40 H GLU 10 H GLU 10 -5.078 -7.981 -6.966
41 HA GLU 10 HA GLU 10 -7.599 -8.624 -5.747
42 HB2 GLU 10 1HB GLU 10 -4.812 -8.236 -4.669
43 HB3 GLU 10 2HB GLU 10 -6.187 -8.535 -3.616
44 HG2 GLU 10 1HG GLU 10 -6.589 -10.599 -5.113
45 HG3 GLU 10 2HG GLU 10 -4.919 -10.350 -5.620
46 H LYS 11 H LYS 11 -5.661 -5.780 -6.162
47 HA LYS 11 HA LYS 11 -7.726 -4.209 -4.810
48 HB2 LYS 11 1HB LYS 11 -4.844 -4.348 -4.077
49 HB3 LYS 11 2HB LYS 11 -5.617 -2.768 -4.032
50 HG2 LYS 11 1HG LYS 11 -5.976 -3.450 -1.891
51 HG3 LYS 11 2HG LYS 11 -7.442 -4.069 -2.654
52 HD2 LYS 11 1HD LYS 11 -6.575 -6.272 -2.743
53 HD3 LYS 11 2HD LYS 11 -4.946 -5.722 -2.342
54 HE2 LYS 11 1HE LYS 11 -5.795 -6.674 -0.363
55 HE3 LYS 11 2HE LYS 11 -5.916 -4.930 -0.135
56 HZ1 LYS 11 3HZ LYS 11 -8.269 -6.030 -1.326
57 HZ2 LYS 11 1HZ LYS 11 -8.112 -5.060 0.051
58 HZ3 LYS 11 2HZ LYS 11 -7.935 -6.738 0.174
59 HA PRO 12 HA PRO 12 -7.367 -1.645 -8.365
60 HB2 PRO 12 1HB PRO 12 -8.333 0.681 -7.351
61 HB3 PRO 12 2HB PRO 12 -9.362 -0.710 -7.716
62 HG2 PRO 12 1HG PRO 12 -8.241 0.179 -5.086
63 HG3 PRO 12 2HG PRO 12 -9.870 -0.408 -5.467
64 HD2 PRO 12 1HD PRO 12 -7.984 -1.981 -4.327
65 HD3 PRO 12 2HD PRO 12 -9.218 -2.618 -5.433
66 H PHE 13 H PHE 13 -5.767 -0.868 -5.391
67 HA PHE 13 HA PHE 13 -3.869 0.814 -6.885
68 HB2 PHE 13 1HB PHE 13 -5.038 1.288 -4.147
69 HB3 PHE 13 2HB PHE 13 -3.538 2.049 -4.668
70 HD1 PHE 13 HD1 PHE 13 -3.566 3.590 -6.629
71 HD2 PHE 13 HD2 PHE 13 -7.132 2.108 -4.839
72 HE1 PHE 13 HE1 PHE 13 -4.852 5.388 -7.710
73 HE2 PHE 13 HE2 PHE 13 -8.424 3.903 -5.917
74 HZ PHE 13 HZ PHE 13 -7.284 5.546 -7.356
75 H GLU 14 H GLU 14 -2.417 -0.872 -7.163
76 HA GLU 14 HA GLU 14 -1.266 -2.004 -4.700
77 HB2 GLU 14 1HB GLU 14 -2.277 -3.590 -6.394
78 HB3 GLU 14 2HB GLU 14 -0.987 -3.119 -7.490
79 HG2 GLU 14 1HG GLU 14 0.666 -3.918 -5.858
80 HG3 GLU 14 2HG GLU 14 -0.649 -4.439 -4.807
81 H CYS 15 H CYS 15 0.670 -1.292 -4.131
82 HA CYS 15 HA CYS 15 2.147 0.583 -5.579
83 HB2 CYS 15 1HB CYS 15 2.367 0.313 -3.157
84 HB3 CYS 15 2HB CYS 15 3.079 -1.280 -3.386
85 H ALA 16 H ALA 16 3.474 0.408 -7.255
86 HA ALA 16 HA ALA 16 4.341 -2.264 -8.090
87 HB1 ALA 16 3HB ALA 16 5.056 -0.657 -10.144
88 HB2 ALA 16 1HB ALA 16 3.484 -1.444 -10.000
89 HB3 ALA 16 2HB ALA 16 3.681 0.234 -9.492
90 H GLU 17 H GLU 17 5.689 -1.152 -5.897
91 HA GLU 17 HA GLU 17 8.346 -0.675 -7.074
92 HB2 GLU 17 1HB GLU 17 7.112 0.624 -4.645
93 HB3 GLU 17 2HB GLU 17 8.837 0.669 -4.984
94 HG2 GLU 17 1HG GLU 17 6.786 1.655 -6.939
95 HG3 GLU 17 2HG GLU 17 7.477 2.682 -5.685
96 H CYS 18 H CYS 18 6.576 -1.830 -4.222
97 HA CYS 18 HA CYS 18 8.793 -3.706 -3.717
98 HB2 CYS 18 1HB CYS 18 8.151 -3.642 -1.328
99 HB3 CYS 18 2HB CYS 18 8.666 -2.068 -1.925
100 H GLY 19 H GLY 19 5.287 -3.214 -3.411
101 HA2 GLY 19 1HA GLY 19 4.059 -5.152 -4.537
102 HA3 GLY 19 2HA GLY 19 4.954 -6.144 -3.396
103 H LYS 20 H LYS 20 3.563 -2.985 -2.704
104 HA LYS 20 HA LYS 20 1.966 -4.217 -0.588
105 HB2 LYS 20 1HB LYS 20 3.545 -2.096 -0.411
106 HB3 LYS 20 2HB LYS 20 2.105 -1.261 -0.981
107 HG2 LYS 20 1HG LYS 20 2.031 -1.128 1.359
108 HG3 LYS 20 2HG LYS 20 0.868 -2.382 0.923
109 HD2 LYS 20 1HD LYS 20 2.706 -4.062 1.342
110 HD3 LYS 20 2HD LYS 20 3.644 -2.738 2.037
111 HE2 LYS 20 1HE LYS 20 2.599 -3.777 3.866
112 HE3 LYS 20 2HE LYS 20 1.645 -2.327 3.555
113 HZ1 LYS 20 3HZ LYS 20 0.693 -4.883 3.745
114 HZ2 LYS 20 1HZ LYS 20 0.683 -4.573 2.082
115 HZ3 LYS 20 2HZ LYS 20 -0.147 -3.546 3.139
116 H SER 21 H SER 21 -0.255 -3.628 -0.272
117 HA SER 21 HA SER 21 -1.611 -2.692 -2.713
118 HB2 SER 21 1HB SER 21 -3.400 -4.342 -2.299
119 HB3 SER 21 2HB SER 21 -1.843 -5.127 -2.566
120 HG SER 21 HG SER 21 -3.230 -4.748 -0.131
121 H PHE 22 H PHE 22 -3.734 -1.772 -2.363
122 HA PHE 22 HA PHE 22 -4.503 -1.095 0.342
123 HB2 PHE 22 1HB PHE 22 -3.833 1.127 -1.595
124 HB3 PHE 22 2HB PHE 22 -4.370 1.300 0.072
125 HD1 PHE 22 HD1 PHE 22 -1.566 0.395 -2.106
126 HD2 PHE 22 HD2 PHE 22 -2.854 0.999 1.905
127 HE1 PHE 22 HE1 PHE 22 0.778 0.407 -1.359
128 HE2 PHE 22 HE2 PHE 22 -0.512 1.013 2.659
129 HZ PHE 22 HZ PHE 22 1.308 0.718 1.026
130 H SER 23 H SER 23 -6.492 0.383 0.286
131 HA SER 23 HA SER 23 -8.336 -0.752 -1.647
132 HB2 SER 23 1HB SER 23 -8.837 1.076 0.715
133 HB3 SER 23 2HB SER 23 -10.085 0.298 -0.259
134 HG SER 23 HG SER 23 -8.121 -1.341 0.836
135 H ILE 24 H ILE 24 -7.544 2.527 -0.488
136 HA ILE 24 HA ILE 24 -8.484 3.568 -3.079
137 HB ILE 24 HB ILE 24 -8.762 5.746 -1.930
138 HG12 ILE 24 1HG1 ILE 24 -8.292 4.175 0.611
139 HG13 ILE 24 2HG1 ILE 24 -7.109 5.262 -0.109
140 HG21 ILE 24 1HG2 ILE 24 -10.758 4.585 -2.160
141 HG22 ILE 24 2HG2 ILE 24 -10.273 3.328 -1.022
142 HG23 ILE 24 3HG2 ILE 24 -10.704 4.933 -0.432
143 HD11 ILE 24 3HD1 ILE 24 -9.794 5.977 1.034
144 HD12 ILE 24 1HD1 ILE 24 -8.202 6.425 1.647
145 HD13 ILE 24 2HD1 ILE 24 -8.782 7.098 0.123
146 H SER 25 H SER 25 -7.376 5.664 -3.715
147 HA SER 25 HA SER 25 -4.646 5.194 -4.121
148 HB2 SER 25 1HB SER 25 -4.596 7.580 -4.922
149 HB3 SER 25 2HB SER 25 -5.854 6.591 -5.663
150 HG SER 25 HG SER 25 -6.072 8.776 -4.006
151 H SER 26 H SER 26 -6.175 7.698 -2.089
152 HA SER 26 HA SER 26 -4.112 8.938 -0.938
153 HB2 SER 26 1HB SER 26 -6.269 7.819 0.845
154 HB3 SER 26 2HB SER 26 -5.443 9.372 0.967
155 HG SER 26 HG SER 26 -7.665 9.314 0.037
156 H GLN 27 H GLN 27 -5.239 5.719 0.049
157 HA GLN 27 HA GLN 27 -3.405 5.307 2.121
158 HB2 GLN 27 1HB GLN 27 -4.830 3.369 0.303
159 HB3 GLN 27 2HB GLN 27 -3.825 2.850 1.649
160 HG2 GLN 27 1HG GLN 27 -6.262 4.603 1.864
161 HG3 GLN 27 2HG GLN 27 -6.200 2.878 2.221
162 HE21 GLN 27 1HE2 GLN 27 -5.560 6.044 3.349
163 HE22 GLN 27 2HE2 GLN 27 -4.989 5.613 4.921
164 H LEU 28 H LEU 28 -3.223 4.359 -1.303
165 HA LEU 28 HA LEU 28 -0.700 3.141 -1.177
166 HB2 LEU 28 1HB LEU 28 -2.129 2.770 -3.059
167 HB3 LEU 28 2HB LEU 28 -2.147 4.489 -3.448
168 HG LEU 28 HG LEU 28 0.266 4.334 -4.011
169 HD11 LEU 28 1HD1 LEU 28 0.159 1.407 -4.238
170 HD12 LEU 28 2HD1 LEU 28 0.266 2.032 -2.593
171 HD13 LEU 28 3HD1 LEU 28 1.493 2.467 -3.782
172 HD21 LEU 28 3HD2 LEU 28 -1.838 2.789 -5.451
173 HD22 LEU 28 1HD2 LEU 28 -0.178 2.748 -6.046
174 HD23 LEU 28 2HD2 LEU 28 -1.027 4.288 -5.908
175 H ALA 29 H ALA 29 -1.622 6.465 -2.028
176 HA ALA 29 HA ALA 29 0.882 7.467 -2.669
177 HB1 ALA 29 3HB ALA 29 -0.497 9.164 -3.091
178 HB2 ALA 29 1HB ALA 29 -1.705 8.561 -1.956
179 HB3 ALA 29 2HB ALA 29 -0.377 9.568 -1.379
180 H THR 30 H THR 30 -0.732 7.538 0.511
181 HA THR 30 HA THR 30 1.326 8.726 1.955
182 HB THR 30 HB THR 30 -0.413 6.585 3.156
183 HG1 THR 30 HG1 THR 30 -1.155 9.058 2.066
184 HG21 THR 30 3HG2 THR 30 0.148 9.244 4.378
185 HG22 THR 30 1HG2 THR 30 1.437 8.041 4.353
186 HG23 THR 30 2HG2 THR 30 -0.094 7.678 5.150
187 H HIS 31 H HIS 31 1.190 5.623 0.553
188 HA HIS 31 HA HIS 31 3.201 4.498 2.339
189 HB2 HIS 31 1HB HIS 31 1.648 2.854 1.787
190 HB3 HIS 31 2HB HIS 31 1.503 3.408 0.121
191 HD1 HIS 31 HD1 HIS 31 3.813 1.447 2.367
192 HD2 HIS 31 HD2 HIS 31 3.196 2.188 -1.674
193 HE1 HIS 31 HE1 HIS 31 5.312 -0.165 1.152
194 H GLN 32 H GLN 32 2.885 4.696 -1.211
195 HA GLN 32 HA GLN 32 5.433 4.184 -1.968
196 HB2 GLN 32 1HB GLN 32 3.518 6.224 -3.095
197 HB3 GLN 32 2HB GLN 32 5.038 5.811 -3.876
198 HG2 GLN 32 1HG GLN 32 4.230 3.410 -3.858
199 HG3 GLN 32 2HG GLN 32 2.651 4.055 -3.415
200 HE21 GLN 32 1HE2 GLN 32 2.231 2.861 -5.510
201 HE22 GLN 32 2HE2 GLN 32 2.335 3.793 -6.961
202 H ARG 33 H ARG 33 4.337 6.958 -0.239
203 HA ARG 33 HA ARG 33 6.189 8.898 -0.818
204 HB2 ARG 33 1HB ARG 33 5.667 9.886 1.237
205 HB3 ARG 33 2HB ARG 33 4.237 8.935 0.860
206 HG2 ARG 33 1HG ARG 33 4.857 7.241 2.411
207 HG3 ARG 33 2HG ARG 33 6.449 7.964 2.651
208 HD2 ARG 33 1HD ARG 33 5.434 9.919 3.671
209 HD3 ARG 33 2HD ARG 33 3.824 9.266 3.367
210 HE ARG 33 HE ARG 33 4.068 7.888 5.187
211 HH11 ARG 33 1HH1 ARG 33 7.152 9.271 4.353
212 HH12 ARG 33 2HH1 ARG 33 7.942 8.701 5.785
213 HH21 ARG 33 1HH2 ARG 33 5.097 7.132 7.077
214 HH22 ARG 33 2HH2 ARG 33 6.772 7.484 7.334
215 H ILE 34 H ILE 34 6.575 6.103 1.315
216 HA ILE 34 HA ILE 34 9.130 6.778 2.301
217 HB ILE 34 HB ILE 34 9.313 4.495 3.041
218 HG12 ILE 34 1HG1 ILE 34 6.794 3.724 1.615
219 HG13 ILE 34 2HG1 ILE 34 8.326 3.671 0.751
220 HG21 ILE 34 1HG2 ILE 34 6.786 5.972 3.365
221 HG22 ILE 34 2HG2 ILE 34 6.757 4.283 3.868
222 HG23 ILE 34 3HG2 ILE 34 7.929 5.393 4.577
223 HD11 ILE 34 3HD1 ILE 34 7.540 1.524 1.824
224 HD12 ILE 34 1HD1 ILE 34 9.192 2.027 2.182
225 HD13 ILE 34 2HD1 ILE 34 7.916 2.278 3.373
226 H HIS 35 H HIS 35 8.074 5.462 -0.707
227 HA HIS 35 HA HIS 35 10.671 4.400 -1.422
228 HB2 HIS 35 1HB HIS 35 8.124 4.728 -3.020
229 HB3 HIS 35 2HB HIS 35 9.587 3.961 -3.629
230 HD1 HIS 35 HD1 HIS 35 10.259 2.290 -1.075
231 HD2 HIS 35 HD2 HIS 35 6.523 2.510 -2.878
232 HE1 HIS 35 HE1 HIS 35 9.054 0.195 -0.381
233 H THR 36 H THR 36 8.771 7.282 -1.985
234 HA THR 36 HA THR 36 10.820 8.324 -3.807
235 HB THR 36 HB THR 36 8.476 8.493 -4.561
236 HG1 THR 36 HG1 THR 36 9.126 10.263 -5.506
237 HG21 THR 36 3HG2 THR 36 7.847 10.668 -2.674
238 HG22 THR 36 1HG2 THR 36 7.848 9.044 -1.987
239 HG23 THR 36 2HG2 THR 36 6.803 9.421 -3.357
240 H GLY 37 H GLY 37 11.722 10.420 -3.479
241 HA2 GLY 37 1HA GLY 37 11.566 12.382 -1.825
242 HA3 GLY 37 2HA GLY 37 11.865 11.134 -0.625
243 H GLU 38 H GLU 38 13.916 10.230 -0.435
244 HA GLU 38 HA GLU 38 16.024 11.529 -2.030
245 HB2 GLU 38 1HB GLU 38 15.849 12.436 0.302
246 HB3 GLU 38 2HB GLU 38 16.233 10.829 0.901
247 HG2 GLU 38 1HG GLU 38 18.270 11.912 0.962
248 HG3 GLU 38 2HG GLU 38 18.341 11.020 -0.557
249 H LYS 39 H LYS 39 17.731 10.270 -2.668
250 HA LYS 39 HA LYS 39 18.352 7.727 -1.621
251 HB2 LYS 39 1HB LYS 39 16.083 7.466 -2.961
252 HB3 LYS 39 2HB LYS 39 17.167 7.422 -4.345
253 HG2 LYS 39 1HG LYS 39 18.234 5.473 -3.583
254 HG3 LYS 39 2HG LYS 39 17.539 5.628 -1.968
255 HD2 LYS 39 1HD LYS 39 15.839 5.235 -4.417
256 HD3 LYS 39 2HD LYS 39 16.511 3.878 -3.510
257 HE2 LYS 39 1HE LYS 39 15.387 4.688 -1.487
258 HE3 LYS 39 2HE LYS 39 14.708 6.031 -2.405
259 HZ1 LYS 39 3HZ LYS 39 13.154 4.726 -3.320
260 HZ2 LYS 39 1HZ LYS 39 13.472 3.689 -2.021
261 HZ3 LYS 39 2HZ LYS 39 14.201 3.412 -3.522
262 HA PRO 40 HA PRO 40 22.002 8.756 -3.867
263 HB2 PRO 40 1HB PRO 40 23.279 6.367 -3.683
264 HB3 PRO 40 2HB PRO 40 23.126 7.482 -2.320
265 HG2 PRO 40 1HG PRO 40 21.513 5.043 -2.962
266 HG3 PRO 40 2HG PRO 40 22.154 5.580 -1.399
267 HD2 PRO 40 1HD PRO 40 19.572 5.956 -2.120
268 HD3 PRO 40 2HD PRO 40 20.447 7.094 -1.076
269 H SER 41 H SER 41 21.017 9.027 -5.938
270 HA SER 41 HA SER 41 21.028 6.640 -7.654
271 HB2 SER 41 1HB SER 41 19.538 7.812 -9.133
272 HB3 SER 41 2HB SER 41 18.914 8.000 -7.494
273 HG SER 41 HG SER 41 19.552 9.900 -9.217
274 H GLY 42 H GLY 42 22.997 6.403 -8.529
275 HA2 GLY 42 1HA GLY 42 24.862 6.848 -9.791
276 HA3 GLY 42 2HA GLY 42 23.928 8.147 -10.518
277 HA PRO 43 HA PRO 43 27.475 10.120 -8.342
278 HB2 PRO 43 1HB PRO 43 27.911 11.973 -10.278
279 HB3 PRO 43 2HB PRO 43 28.600 10.346 -10.332
280 HG2 PRO 43 1HG PRO 43 26.182 11.426 -11.728
281 HG3 PRO 43 2HG PRO 43 27.460 10.371 -12.359
282 HD2 PRO 43 1HD PRO 43 25.048 9.427 -11.572
283 HD3 PRO 43 2HD PRO 43 26.542 8.482 -11.411
284 H SER 44 H SER 44 24.358 11.010 -9.307
285 HA SER 44 HA SER 44 24.134 13.706 -8.975
286 HB2 SER 44 1HB SER 44 22.210 11.713 -7.757
287 HB3 SER 44 2HB SER 44 21.846 13.355 -8.288
288 HG SER 44 HG SER 44 22.810 12.327 -10.398
289 H SER 45 H SER 45 23.698 15.104 -7.221
290 HA SER 45 HA SER 45 25.187 14.430 -4.837
291 HB2 SER 45 1HB SER 45 25.131 16.708 -6.116
292 HB3 SER 45 2HB SER 45 23.662 16.993 -5.184
293 HG SER 45 HG SER 45 26.129 16.239 -4.012
294 H GLY 46 H GLY 46 24.390 14.027 -2.841
295 HA2 GLY 46 1HA GLY 46 22.789 14.021 -1.118
296 HA3 GLY 46 2HA GLY 46 21.564 14.495 -2.285
Start of MODEL 7
1 H1 GLY 1 H GLY 1 14.854 -22.765 -6.812
2 HA2 GLY 1 1HA GLY 1 13.815 -22.314 -9.031
3 HA3 GLY 1 2HA GLY 1 12.520 -23.386 -8.517
4 H SER 2 H SER 2 10.971 -21.752 -8.834
5 HA SER 2 HA SER 2 10.762 -19.922 -6.576
6 HB2 SER 2 1HB SER 2 10.916 -19.065 -9.454
7 HB3 SER 2 2HB SER 2 10.008 -18.110 -8.282
8 HG SER 2 HG SER 2 11.922 -17.937 -7.051
9 H SER 3 H SER 3 8.572 -18.823 -6.578
10 HA SER 3 HA SER 3 6.527 -20.534 -7.822
11 HB2 SER 3 1HB SER 3 5.246 -20.589 -5.784
12 HB3 SER 3 2HB SER 3 6.885 -21.115 -5.403
13 HG SER 3 HG SER 3 7.269 -19.240 -4.379
14 H GLY 4 H GLY 4 4.685 -19.516 -8.521
15 HA2 GLY 4 1HA GLY 4 4.873 -16.711 -9.014
16 HA3 GLY 4 2HA GLY 4 3.516 -17.749 -9.425
17 H SER 5 H SER 5 1.736 -16.855 -8.621
18 HA SER 5 HA SER 5 1.375 -16.603 -5.809
19 HB2 SER 5 1HB SER 5 2.629 -14.501 -6.273
20 HB3 SER 5 2HB SER 5 1.351 -14.020 -7.389
21 HG SER 5 HG SER 5 1.419 -13.902 -4.668
22 H SER 6 H SER 6 -0.817 -16.075 -5.232
23 HA SER 6 HA SER 6 -2.687 -16.876 -7.310
24 HB2 SER 6 1HB SER 6 -2.767 -17.921 -5.051
25 HB3 SER 6 2HB SER 6 -3.200 -16.352 -4.372
26 HG SER 6 HG SER 6 -5.029 -17.689 -4.807
27 H GLY 7 H GLY 7 -3.857 -15.482 -8.445
28 HA2 GLY 7 1HA GLY 7 -4.089 -12.720 -7.442
29 HA3 GLY 7 2HA GLY 7 -4.164 -13.191 -9.134
30 H THR 8 H THR 8 -5.882 -13.535 -6.048
31 HA THR 8 HA THR 8 -8.371 -14.052 -7.495
32 HB THR 8 HB THR 8 -9.346 -14.574 -5.315
33 HG1 THR 8 HG1 THR 8 -8.224 -14.289 -3.453
34 HG21 THR 8 3HG2 THR 8 -7.251 -16.275 -4.717
35 HG22 THR 8 1HG2 THR 8 -7.030 -15.938 -6.434
36 HG23 THR 8 2HG2 THR 8 -8.559 -16.600 -5.854
37 H GLY 9 H GLY 9 -8.784 -11.987 -8.342
38 HA2 GLY 9 1HA GLY 9 -9.642 -9.858 -8.344
39 HA3 GLY 9 2HA GLY 9 -10.400 -10.309 -6.824
40 H GLU 10 H GLU 10 -7.414 -9.045 -8.239
41 HA GLU 10 HA GLU 10 -6.296 -8.243 -5.741
42 HB2 GLU 10 1HB GLU 10 -5.629 -7.840 -8.614
43 HB3 GLU 10 2HB GLU 10 -4.931 -6.721 -7.452
44 HG2 GLU 10 1HG GLU 10 -4.114 -8.751 -6.188
45 HG3 GLU 10 2HG GLU 10 -4.573 -9.696 -7.603
46 H LYS 11 H LYS 11 -5.721 -5.917 -5.311
47 HA LYS 11 HA LYS 11 -8.148 -4.354 -5.350
48 HB2 LYS 11 1HB LYS 11 -5.421 -3.857 -4.148
49 HB3 LYS 11 2HB LYS 11 -6.765 -2.732 -4.006
50 HG2 LYS 11 1HG LYS 11 -8.027 -4.810 -3.055
51 HG3 LYS 11 2HG LYS 11 -6.394 -5.411 -2.756
52 HD2 LYS 11 1HD LYS 11 -5.886 -3.394 -1.471
53 HD3 LYS 11 2HD LYS 11 -7.511 -2.780 -1.783
54 HE2 LYS 11 1HE LYS 11 -7.026 -5.421 -0.433
55 HE3 LYS 11 2HE LYS 11 -7.093 -3.907 0.468
56 HZ1 LYS 11 3HZ LYS 11 -9.230 -5.177 0.319
57 HZ2 LYS 11 1HZ LYS 11 -9.269 -4.805 -1.332
58 HZ3 LYS 11 2HZ LYS 11 -9.320 -3.564 -0.184
59 HA PRO 12 HA PRO 12 -7.250 -1.724 -8.749
60 HB2 PRO 12 1HB PRO 12 -8.377 0.602 -7.918
61 HB3 PRO 12 2HB PRO 12 -9.328 -0.799 -8.425
62 HG2 PRO 12 1HG PRO 12 -8.633 0.119 -5.662
63 HG3 PRO 12 2HG PRO 12 -10.180 -0.484 -6.285
64 HD2 PRO 12 1HD PRO 12 -8.484 -2.033 -4.853
65 HD3 PRO 12 2HD PRO 12 -9.527 -2.689 -6.131
66 H PHE 13 H PHE 13 -5.787 -1.342 -5.768
67 HA PHE 13 HA PHE 13 -3.890 0.593 -6.888
68 HB2 PHE 13 1HB PHE 13 -5.037 0.734 -4.091
69 HB3 PHE 13 2HB PHE 13 -3.746 1.755 -4.716
70 HD1 PHE 13 HD1 PHE 13 -4.250 3.318 -6.618
71 HD2 PHE 13 HD2 PHE 13 -7.289 1.268 -4.454
72 HE1 PHE 13 HE1 PHE 13 -5.918 4.926 -7.444
73 HE2 PHE 13 HE2 PHE 13 -8.962 2.872 -5.278
74 HZ PHE 13 HZ PHE 13 -8.278 4.704 -6.775
75 H GLU 14 H GLU 14 -2.088 -0.573 -7.070
76 HA GLU 14 HA GLU 14 -1.133 -2.012 -4.695
77 HB2 GLU 14 1HB GLU 14 -2.149 -3.501 -6.564
78 HB3 GLU 14 2HB GLU 14 -0.676 -3.123 -7.447
79 HG2 GLU 14 1HG GLU 14 0.674 -4.243 -5.924
80 HG3 GLU 14 2HG GLU 14 -0.558 -4.212 -4.664
81 H CYS 15 H CYS 15 0.720 -1.135 -4.086
82 HA CYS 15 HA CYS 15 2.213 0.719 -5.476
83 HB2 CYS 15 1HB CYS 15 2.455 0.354 -3.070
84 HB3 CYS 15 2HB CYS 15 3.175 -1.226 -3.367
85 H ALA 16 H ALA 16 3.639 0.651 -7.090
86 HA ALA 16 HA ALA 16 4.436 -1.973 -8.121
87 HB1 ALA 16 3HB ALA 16 3.979 -1.086 -10.100
88 HB2 ALA 16 1HB ALA 16 3.626 0.467 -9.342
89 HB3 ALA 16 2HB ALA 16 5.269 0.093 -9.864
90 H GLU 17 H GLU 17 5.723 -0.912 -5.780
91 HA GLU 17 HA GLU 17 8.450 -0.560 -6.839
92 HB2 GLU 17 1HB GLU 17 7.255 0.660 -4.345
93 HB3 GLU 17 2HB GLU 17 8.957 0.741 -4.778
94 HG2 GLU 17 1HG GLU 17 8.352 1.944 -6.837
95 HG3 GLU 17 2HG GLU 17 6.663 1.915 -6.332
96 H CYS 18 H CYS 18 6.595 -1.619 -3.990
97 HA CYS 18 HA CYS 18 8.709 -3.597 -3.450
98 HB2 CYS 18 1HB CYS 18 7.722 -3.662 -1.132
99 HB3 CYS 18 2HB CYS 18 8.472 -2.132 -1.576
100 H GLY 19 H GLY 19 5.176 -3.152 -3.312
101 HA2 GLY 19 1HA GLY 19 3.972 -4.946 -4.635
102 HA3 GLY 19 2HA GLY 19 4.898 -6.072 -3.653
103 H LYS 20 H LYS 20 3.149 -3.088 -2.820
104 HA LYS 20 HA LYS 20 1.638 -4.658 -0.836
105 HB2 LYS 20 1HB LYS 20 3.096 -2.993 0.189
106 HB3 LYS 20 2HB LYS 20 2.389 -1.729 -0.809
107 HG2 LYS 20 1HG LYS 20 1.206 -1.379 1.089
108 HG3 LYS 20 2HG LYS 20 0.162 -2.593 0.347
109 HD2 LYS 20 1HD LYS 20 2.388 -3.554 2.061
110 HD3 LYS 20 2HD LYS 20 1.011 -2.791 2.861
111 HE2 LYS 20 1HE LYS 20 0.869 -5.115 0.942
112 HE3 LYS 20 2HE LYS 20 0.746 -5.225 2.697
113 HZ1 LYS 20 3HZ LYS 20 -1.095 -3.344 1.555
114 HZ2 LYS 20 1HZ LYS 20 -1.378 -4.606 2.645
115 HZ3 LYS 20 2HZ LYS 20 -1.333 -4.919 0.984
116 H SER 21 H SER 21 -0.564 -4.465 -0.722
117 HA SER 21 HA SER 21 -1.830 -3.000 -2.939
118 HB2 SER 21 1HB SER 21 -3.569 -4.610 -2.941
119 HB3 SER 21 2HB SER 21 -2.082 -5.541 -2.760
120 HG SER 21 HG SER 21 -4.170 -5.587 -1.188
121 H PHE 22 H PHE 22 -3.607 -1.693 -2.574
122 HA PHE 22 HA PHE 22 -4.385 -1.237 0.220
123 HB2 PHE 22 1HB PHE 22 -3.930 1.041 -1.702
124 HB3 PHE 22 2HB PHE 22 -4.172 1.120 0.040
125 HD1 PHE 22 HD1 PHE 22 -1.805 -0.039 -2.568
126 HD2 PHE 22 HD2 PHE 22 -2.352 1.098 1.498
127 HE1 PHE 22 HE1 PHE 22 0.632 -0.068 -2.235
128 HE2 PHE 22 HE2 PHE 22 0.085 1.071 1.836
129 HZ PHE 22 HZ PHE 22 1.580 0.489 -0.031
130 H SER 23 H SER 23 -6.378 0.192 0.336
131 HA SER 23 HA SER 23 -8.309 -0.827 -1.598
132 HB2 SER 23 1HB SER 23 -8.567 0.478 1.108
133 HB3 SER 23 2HB SER 23 -9.963 0.237 0.058
134 HG SER 23 HG SER 23 -8.288 -1.946 0.513
135 H ILE 24 H ILE 24 -7.471 2.300 -0.108
136 HA ILE 24 HA ILE 24 -8.780 3.659 -2.359
137 HB ILE 24 HB ILE 24 -8.355 5.723 -0.844
138 HG12 ILE 24 1HG1 ILE 24 -8.186 3.489 1.191
139 HG13 ILE 24 2HG1 ILE 24 -6.858 4.550 0.733
140 HG21 ILE 24 1HG2 ILE 24 -10.464 3.854 -1.075
141 HG22 ILE 24 2HG2 ILE 24 -10.370 4.342 0.616
142 HG23 ILE 24 3HG2 ILE 24 -10.558 5.561 -0.643
143 HD11 ILE 24 3HD1 ILE 24 -7.681 5.391 2.757
144 HD12 ILE 24 1HD1 ILE 24 -8.316 6.467 1.512
145 HD13 ILE 24 2HD1 ILE 24 -9.358 5.240 2.234
146 H SER 25 H SER 25 -7.712 5.659 -3.154
147 HA SER 25 HA SER 25 -5.072 5.089 -4.007
148 HB2 SER 25 1HB SER 25 -6.711 6.409 -5.336
149 HB3 SER 25 2HB SER 25 -6.556 7.723 -4.170
150 HG SER 25 HG SER 25 -4.218 7.581 -4.701
151 H SER 26 H SER 26 -6.327 7.706 -1.934
152 HA SER 26 HA SER 26 -4.109 9.030 -1.209
153 HB2 SER 26 1HB SER 26 -6.308 9.544 -0.269
154 HB3 SER 26 2HB SER 26 -6.252 8.077 0.708
155 HG SER 26 HG SER 26 -5.462 9.474 2.107
156 H GLN 27 H GLN 27 -5.197 6.121 0.550
157 HA GLN 27 HA GLN 27 -3.130 5.781 2.286
158 HB2 GLN 27 1HB GLN 27 -4.920 3.887 0.853
159 HB3 GLN 27 2HB GLN 27 -3.529 3.209 1.689
160 HG2 GLN 27 1HG GLN 27 -4.279 4.333 3.759
161 HG3 GLN 27 2HG GLN 27 -5.718 4.879 2.900
162 HE21 GLN 27 1HE2 GLN 27 -4.225 2.329 4.586
163 HE22 GLN 27 2HE2 GLN 27 -5.491 1.165 4.422
164 H LEU 28 H LEU 28 -3.235 4.271 -0.948
165 HA LEU 28 HA LEU 28 -0.707 3.196 -1.000
166 HB2 LEU 28 1HB LEU 28 -2.136 2.652 -2.769
167 HB3 LEU 28 2HB LEU 28 -2.438 4.343 -3.161
168 HG LEU 28 HG LEU 28 0.064 4.390 -3.824
169 HD11 LEU 28 1HD1 LEU 28 0.387 1.902 -4.836
170 HD12 LEU 28 2HD1 LEU 28 -0.405 1.538 -3.303
171 HD13 LEU 28 3HD1 LEU 28 1.098 2.461 -3.321
172 HD21 LEU 28 3HD2 LEU 28 -1.232 4.720 -5.644
173 HD22 LEU 28 1HD2 LEU 28 -2.293 3.361 -5.271
174 HD23 LEU 28 2HD2 LEU 28 -0.726 3.074 -6.029
175 H ALA 29 H ALA 29 -1.645 6.434 -2.155
176 HA ALA 29 HA ALA 29 0.840 7.351 -2.941
177 HB1 ALA 29 3HB ALA 29 -1.383 8.934 -1.656
178 HB2 ALA 29 1HB ALA 29 -0.032 9.613 -2.565
179 HB3 ALA 29 2HB ALA 29 -1.211 8.580 -3.375
180 H THR 30 H THR 30 -0.656 7.600 0.278
181 HA THR 30 HA THR 30 1.468 8.951 1.525
182 HB THR 30 HB THR 30 -0.448 7.032 2.859
183 HG1 THR 30 HG1 THR 30 -1.425 9.329 3.242
184 HG21 THR 30 3HG2 THR 30 1.188 9.357 3.869
185 HG22 THR 30 1HG2 THR 30 1.321 7.664 4.345
186 HG23 THR 30 2HG2 THR 30 -0.109 8.596 4.791
187 H HIS 31 H HIS 31 1.208 5.732 0.450
188 HA HIS 31 HA HIS 31 3.230 4.730 2.297
189 HB2 HIS 31 1HB HIS 31 1.697 3.041 1.984
190 HB3 HIS 31 2HB HIS 31 1.373 3.498 0.314
191 HD1 HIS 31 HD1 HIS 31 3.138 1.050 2.296
192 HD2 HIS 31 HD2 HIS 31 3.614 2.741 -1.469
193 HE1 HIS 31 HE1 HIS 31 4.675 -0.503 1.051
194 H GLN 32 H GLN 32 2.789 5.177 -1.203
195 HA GLN 32 HA GLN 32 5.239 4.277 -2.095
196 HB2 GLN 32 1HB GLN 32 3.527 6.542 -3.120
197 HB3 GLN 32 2HB GLN 32 4.934 5.929 -3.979
198 HG2 GLN 32 1HG GLN 32 3.881 3.713 -4.087
199 HG3 GLN 32 2HG GLN 32 2.458 4.368 -3.279
200 HE21 GLN 32 1HE2 GLN 32 3.354 3.344 -6.118
201 HE22 GLN 32 2HE2 GLN 32 2.533 4.442 -7.169
202 H ARG 33 H ARG 33 4.498 7.145 -0.319
203 HA ARG 33 HA ARG 33 6.610 8.816 -0.978
204 HB2 ARG 33 1HB ARG 33 6.128 10.005 0.962
205 HB3 ARG 33 2HB ARG 33 4.608 9.187 0.627
206 HG2 ARG 33 1HG ARG 33 4.982 7.590 2.330
207 HG3 ARG 33 2HG ARG 33 6.664 8.089 2.521
208 HD2 ARG 33 1HD ARG 33 6.100 10.027 3.642
209 HD3 ARG 33 2HD ARG 33 4.478 10.076 2.951
210 HE ARG 33 HE ARG 33 3.759 8.894 4.755
211 HH11 ARG 33 1HH1 ARG 33 7.164 8.298 4.343
212 HH12 ARG 33 2HH1 ARG 33 7.299 7.323 5.769
213 HH21 ARG 33 1HH2 ARG 33 3.923 7.611 6.634
214 HH22 ARG 33 2HH2 ARG 33 5.455 6.931 7.071
215 H ILE 34 H ILE 34 6.528 6.039 1.182
216 HA ILE 34 HA ILE 34 8.928 6.324 2.515
217 HB ILE 34 HB ILE 34 8.899 4.007 2.945
218 HG12 ILE 34 1HG1 ILE 34 7.109 3.643 0.533
219 HG13 ILE 34 2HG1 ILE 34 8.835 3.298 0.560
220 HG21 ILE 34 1HG2 ILE 34 6.573 5.546 3.151
221 HG22 ILE 34 2HG2 ILE 34 6.046 3.956 2.603
222 HG23 ILE 34 3HG2 ILE 34 6.994 4.108 4.082
223 HD11 ILE 34 3HD1 ILE 34 7.589 1.938 2.729
224 HD12 ILE 34 1HD1 ILE 34 6.705 1.595 1.242
225 HD13 ILE 34 2HD1 ILE 34 8.437 1.271 1.334
226 H HIS 35 H HIS 35 8.337 5.242 -0.773
227 HA HIS 35 HA HIS 35 11.052 4.416 -1.228
228 HB2 HIS 35 1HB HIS 35 8.820 4.943 -3.201
229 HB3 HIS 35 2HB HIS 35 10.348 4.146 -3.569
230 HD1 HIS 35 HD1 HIS 35 10.592 1.694 -2.899
231 HD2 HIS 35 HD2 HIS 35 6.988 3.385 -1.712
232 HE1 HIS 35 HE1 HIS 35 9.159 -0.233 -2.155
233 H THR 36 H THR 36 9.152 7.312 -1.727
234 HA THR 36 HA THR 36 11.369 8.603 -3.136
235 HB THR 36 HB THR 36 9.797 10.478 -3.492
236 HG1 THR 36 HG1 THR 36 8.526 9.613 -1.484
237 HG21 THR 36 3HG2 THR 36 8.647 7.797 -4.273
238 HG22 THR 36 1HG2 THR 36 9.936 8.642 -5.128
239 HG23 THR 36 2HG2 THR 36 8.319 9.342 -5.058
240 H GLY 37 H GLY 37 11.918 8.000 -0.482
241 HA2 GLY 37 1HA GLY 37 11.735 10.637 0.838
242 HA3 GLY 37 2HA GLY 37 11.860 9.110 1.698
243 H GLU 38 H GLU 38 13.680 9.876 2.841
244 HA GLU 38 HA GLU 38 16.116 10.192 1.219
245 HB2 GLU 38 1HB GLU 38 15.678 12.132 2.593
246 HB3 GLU 38 2HB GLU 38 15.491 11.127 4.023
247 HG2 GLU 38 1HG GLU 38 17.867 10.453 3.794
248 HG3 GLU 38 2HG GLU 38 18.020 11.603 2.467
249 H LYS 39 H LYS 39 16.298 7.884 1.000
250 HA LYS 39 HA LYS 39 17.780 6.713 3.201
251 HB2 LYS 39 1HB LYS 39 16.462 4.717 3.377
252 HB3 LYS 39 2HB LYS 39 15.390 6.092 3.604
253 HG2 LYS 39 1HG LYS 39 14.457 5.842 1.447
254 HG3 LYS 39 2HG LYS 39 15.712 4.700 0.961
255 HD2 LYS 39 1HD LYS 39 14.864 3.030 2.447
256 HD3 LYS 39 2HD LYS 39 13.745 4.178 3.185
257 HE2 LYS 39 1HE LYS 39 12.311 3.134 1.754
258 HE3 LYS 39 2HE LYS 39 12.906 4.402 0.683
259 HZ1 LYS 39 3HZ LYS 39 14.578 2.097 0.615
260 HZ2 LYS 39 1HZ LYS 39 13.802 2.897 -0.657
261 HZ3 LYS 39 2HZ LYS 39 12.982 1.704 0.217
262 HA PRO 40 HA PRO 40 20.149 5.044 -0.102
263 HB2 PRO 40 1HB PRO 40 21.255 2.895 1.135
264 HB3 PRO 40 2HB PRO 40 21.751 4.558 1.472
265 HG2 PRO 40 1HG PRO 40 19.890 2.789 3.011
266 HG3 PRO 40 2HG PRO 40 21.159 3.871 3.613
267 HD2 PRO 40 1HD PRO 40 18.538 4.547 3.634
268 HD3 PRO 40 2HD PRO 40 19.831 5.744 3.416
269 H SER 41 H SER 41 18.467 4.399 -1.515
270 HA SER 41 HA SER 41 17.846 1.521 -1.394
271 HB2 SER 41 1HB SER 41 15.816 2.735 -0.886
272 HB3 SER 41 2HB SER 41 16.044 3.784 -2.285
273 HG SER 41 HG SER 41 14.541 1.922 -2.492
274 H GLY 42 H GLY 42 18.054 0.361 -3.258
275 HA2 GLY 42 1HA GLY 42 19.167 -0.100 -5.247
276 HA3 GLY 42 2HA GLY 42 17.947 1.009 -5.855
277 HA PRO 43 HA PRO 43 21.971 3.614 -5.134
278 HB2 PRO 43 1HB PRO 43 24.243 2.196 -4.685
279 HB3 PRO 43 2HB PRO 43 23.194 2.768 -3.382
280 HG2 PRO 43 1HG PRO 43 23.352 0.053 -4.633
281 HG3 PRO 43 2HG PRO 43 23.209 0.489 -2.920
282 HD2 PRO 43 1HD PRO 43 21.091 -0.321 -4.400
283 HD3 PRO 43 2HD PRO 43 20.937 0.848 -3.072
284 H SER 44 H SER 44 22.652 0.390 -6.493
285 HA SER 44 HA SER 44 24.332 1.320 -8.568
286 HB2 SER 44 1HB SER 44 22.705 -1.232 -8.532
287 HB3 SER 44 2HB SER 44 24.151 -0.912 -9.490
288 HG SER 44 HG SER 44 25.346 -1.348 -7.814
289 H SER 45 H SER 45 23.892 1.309 -10.862
290 HA SER 45 HA SER 45 21.155 2.213 -11.442
291 HB2 SER 45 1HB SER 45 22.085 3.467 -13.293
292 HB3 SER 45 2HB SER 45 23.014 3.835 -11.840
293 HG SER 45 HG SER 45 24.677 2.626 -12.583
294 H GLY 46 H GLY 46 21.579 -0.531 -11.307
295 HA2 GLY 46 1HA GLY 46 20.620 -1.344 -13.861
296 HA3 GLY 46 2HA GLY 46 22.284 -1.859 -13.629
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -3.337 -31.837 -0.190
2 HA2 GLY 1 1HA GLY 1 -3.577 -30.433 -2.343
3 HA3 GLY 1 2HA GLY 1 -3.790 -32.008 -3.093
4 H SER 2 H SER 2 -5.547 -29.532 -2.558
5 HA SER 2 HA SER 2 -7.968 -31.022 -2.148
6 HB2 SER 2 1HB SER 2 -8.732 -30.020 -0.147
7 HB3 SER 2 2HB SER 2 -7.064 -30.482 0.193
8 HG SER 2 HG SER 2 -8.149 -28.078 0.360
9 H SER 3 H SER 3 -9.807 -29.914 -2.832
10 HA SER 3 HA SER 3 -9.399 -27.927 -4.785
11 HB2 SER 3 1HB SER 3 -11.805 -27.892 -5.023
12 HB3 SER 3 2HB SER 3 -11.298 -29.560 -4.759
13 HG SER 3 HG SER 3 -13.122 -28.926 -3.479
14 H GLY 4 H GLY 4 -9.061 -25.825 -4.543
15 HA2 GLY 4 1HA GLY 4 -10.608 -24.144 -2.897
16 HA3 GLY 4 2HA GLY 4 -9.094 -24.495 -2.077
17 H SER 5 H SER 5 -7.226 -23.529 -2.751
18 HA SER 5 HA SER 5 -6.095 -21.679 -3.532
19 HB2 SER 5 1HB SER 5 -5.690 -23.526 -5.187
20 HB3 SER 5 2HB SER 5 -6.977 -22.844 -6.182
21 HG SER 5 HG SER 5 -5.556 -21.504 -6.922
22 H SER 6 H SER 6 -8.661 -20.913 -2.805
23 HA SER 6 HA SER 6 -9.170 -18.788 -4.768
24 HB2 SER 6 1HB SER 6 -10.871 -20.783 -4.757
25 HB3 SER 6 2HB SER 6 -11.471 -20.016 -3.286
26 HG SER 6 HG SER 6 -11.623 -19.174 -5.922
27 H GLY 7 H GLY 7 -9.233 -16.816 -3.894
28 HA2 GLY 7 1HA GLY 7 -10.135 -15.360 -2.139
29 HA3 GLY 7 2HA GLY 7 -9.696 -16.610 -0.983
30 H THR 8 H THR 8 -8.378 -14.244 -3.252
31 HA THR 8 HA THR 8 -5.920 -14.183 -1.624
32 HB THR 8 HB THR 8 -4.698 -13.435 -3.617
33 HG1 THR 8 HG1 THR 8 -7.195 -13.852 -4.930
34 HG21 THR 8 3HG2 THR 8 -6.196 -16.031 -3.732
35 HG22 THR 8 1HG2 THR 8 -4.505 -15.741 -3.326
36 HG23 THR 8 2HG2 THR 8 -5.049 -15.594 -4.998
37 H GLY 9 H GLY 9 -8.032 -12.219 -3.713
38 HA2 GLY 9 1HA GLY 9 -8.927 -10.130 -2.917
39 HA3 GLY 9 2HA GLY 9 -7.481 -9.932 -1.940
40 H GLU 10 H GLU 10 -8.920 -8.418 -4.246
41 HA GLU 10 HA GLU 10 -6.426 -7.716 -5.623
42 HB2 GLU 10 1HB GLU 10 -7.526 -7.604 -7.768
43 HB3 GLU 10 2HB GLU 10 -7.762 -9.209 -7.090
44 HG2 GLU 10 1HG GLU 10 -9.837 -8.659 -7.968
45 HG3 GLU 10 2HG GLU 10 -10.005 -8.324 -6.245
46 H LYS 11 H LYS 11 -6.066 -5.588 -5.736
47 HA LYS 11 HA LYS 11 -8.324 -3.766 -5.228
48 HB2 LYS 11 1HB LYS 11 -5.551 -3.739 -4.057
49 HB3 LYS 11 2HB LYS 11 -6.544 -2.288 -4.106
50 HG2 LYS 11 1HG LYS 11 -6.963 -3.119 -1.996
51 HG3 LYS 11 2HG LYS 11 -8.322 -3.749 -2.931
52 HD2 LYS 11 1HD LYS 11 -7.493 -5.908 -2.928
53 HD3 LYS 11 2HD LYS 11 -5.831 -5.378 -2.656
54 HE2 LYS 11 1HE LYS 11 -8.070 -5.250 -0.638
55 HE3 LYS 11 2HE LYS 11 -6.794 -6.465 -0.675
56 HZ1 LYS 11 3HZ LYS 11 -5.654 -3.886 -0.720
57 HZ2 LYS 11 1HZ LYS 11 -5.471 -5.106 0.438
58 HZ3 LYS 11 2HZ LYS 11 -6.736 -3.991 0.576
59 HA PRO 12 HA PRO 12 -7.113 -1.728 -8.937
60 HB2 PRO 12 1HB PRO 12 -8.214 0.709 -8.472
61 HB3 PRO 12 2HB PRO 12 -9.175 -0.717 -8.878
62 HG2 PRO 12 1HG PRO 12 -8.644 0.508 -6.199
63 HG3 PRO 12 2HG PRO 12 -10.163 -0.124 -6.859
64 HD2 PRO 12 1HD PRO 12 -8.625 -1.534 -5.133
65 HD3 PRO 12 2HD PRO 12 -9.599 -2.311 -6.397
66 H PHE 13 H PHE 13 -6.135 -0.652 -5.812
67 HA PHE 13 HA PHE 13 -4.060 1.045 -7.037
68 HB2 PHE 13 1HB PHE 13 -5.304 1.292 -4.290
69 HB3 PHE 13 2HB PHE 13 -3.996 2.296 -4.906
70 HD1 PHE 13 HD1 PHE 13 -4.470 3.653 -7.033
71 HD2 PHE 13 HD2 PHE 13 -7.511 1.914 -4.616
72 HE1 PHE 13 HE1 PHE 13 -6.115 5.212 -7.989
73 HE2 PHE 13 HE2 PHE 13 -9.162 3.470 -5.568
74 HZ PHE 13 HZ PHE 13 -8.465 5.121 -7.258
75 H GLU 14 H GLU 14 -2.425 -0.419 -7.234
76 HA GLU 14 HA GLU 14 -1.472 -1.653 -4.733
77 HB2 GLU 14 1HB GLU 14 -1.125 -2.778 -7.516
78 HB3 GLU 14 2HB GLU 14 -0.638 -3.536 -6.007
79 HG2 GLU 14 1HG GLU 14 -2.807 -4.064 -5.416
80 HG3 GLU 14 2HG GLU 14 -3.502 -2.834 -6.470
81 H CYS 15 H CYS 15 0.779 -1.759 -4.418
82 HA CYS 15 HA CYS 15 2.228 0.391 -5.722
83 HB2 CYS 15 1HB CYS 15 2.304 0.119 -3.259
84 HB3 CYS 15 2HB CYS 15 3.094 -1.440 -3.474
85 H ALA 16 H ALA 16 3.590 0.113 -7.354
86 HA ALA 16 HA ALA 16 4.396 -2.609 -8.072
87 HB1 ALA 16 3HB ALA 16 3.835 -0.156 -9.562
88 HB2 ALA 16 1HB ALA 16 5.265 -1.025 -10.118
89 HB3 ALA 16 2HB ALA 16 3.703 -1.843 -10.059
90 H GLU 17 H GLU 17 5.676 -1.338 -5.854
91 HA GLU 17 HA GLU 17 8.409 -1.103 -6.927
92 HB2 GLU 17 1HB GLU 17 7.120 0.455 -4.687
93 HB3 GLU 17 2HB GLU 17 8.862 0.380 -4.916
94 HG2 GLU 17 1HG GLU 17 8.783 1.580 -6.899
95 HG3 GLU 17 2HG GLU 17 7.069 1.248 -7.145
96 H CYS 18 H CYS 18 6.723 -1.581 -3.816
97 HA CYS 18 HA CYS 18 8.806 -3.443 -2.988
98 HB2 CYS 18 1HB CYS 18 7.570 -3.408 -0.801
99 HB3 CYS 18 2HB CYS 18 8.171 -1.838 -1.323
100 H GLY 19 H GLY 19 5.273 -3.394 -3.399
101 HA2 GLY 19 1HA GLY 19 4.400 -5.402 -4.613
102 HA3 GLY 19 2HA GLY 19 5.351 -6.347 -3.477
103 H LYS 20 H LYS 20 3.376 -3.493 -2.798
104 HA LYS 20 HA LYS 20 1.675 -5.190 -1.092
105 HB2 LYS 20 1HB LYS 20 2.670 -2.374 -0.679
106 HB3 LYS 20 2HB LYS 20 1.316 -3.035 0.229
107 HG2 LYS 20 1HG LYS 20 2.899 -4.918 0.894
108 HG3 LYS 20 2HG LYS 20 4.191 -3.886 0.277
109 HD2 LYS 20 1HD LYS 20 2.234 -2.701 2.178
110 HD3 LYS 20 2HD LYS 20 3.443 -3.817 2.817
111 HE2 LYS 20 1HE LYS 20 5.186 -2.413 2.345
112 HE3 LYS 20 2HE LYS 20 4.355 -1.662 0.984
113 HZ1 LYS 20 3HZ LYS 20 3.323 -1.229 3.699
114 HZ2 LYS 20 1HZ LYS 20 3.235 -0.222 2.342
115 HZ3 LYS 20 2HZ LYS 20 4.688 -0.365 3.196
116 H SER 21 H SER 21 -0.485 -4.041 -0.600
117 HA SER 21 HA SER 21 -1.490 -2.666 -2.995
118 HB2 SER 21 1HB SER 21 -3.018 -4.864 -1.591
119 HB3 SER 21 2HB SER 21 -3.435 -4.062 -3.105
120 HG SER 21 HG SER 21 -1.081 -5.598 -2.729
121 H PHE 22 H PHE 22 -3.649 -1.652 -2.613
122 HA PHE 22 HA PHE 22 -4.227 -1.029 0.176
123 HB2 PHE 22 1HB PHE 22 -3.708 1.140 -1.868
124 HB3 PHE 22 2HB PHE 22 -4.166 1.377 -0.185
125 HD1 PHE 22 HD2 PHE 22 -2.567 0.944 1.611
126 HD2 PHE 22 HD1 PHE 22 -1.463 0.594 -2.484
127 HE1 PHE 22 HE2 PHE 22 -0.192 0.988 2.251
128 HE2 PHE 22 HE1 PHE 22 0.915 0.637 -1.851
129 HZ PHE 22 HZ PHE 22 1.553 0.835 0.520
130 H SER 23 H SER 23 -6.290 0.049 0.467
131 HA SER 23 HA SER 23 -8.240 -0.914 -1.438
132 HB2 SER 23 1HB SER 23 -8.327 0.208 1.327
133 HB3 SER 23 2HB SER 23 -9.790 0.297 0.347
134 HG SER 23 HG SER 23 -9.920 -1.639 1.334
135 H ILE 24 H ILE 24 -7.254 2.226 -0.104
136 HA ILE 24 HA ILE 24 -8.771 3.546 -2.253
137 HB ILE 24 HB ILE 24 -8.257 5.632 -0.769
138 HG12 ILE 24 1HG1 ILE 24 -8.045 3.392 1.254
139 HG13 ILE 24 2HG1 ILE 24 -6.724 4.444 0.758
140 HG21 ILE 24 1HG2 ILE 24 -10.277 4.833 0.738
141 HG22 ILE 24 2HG2 ILE 24 -10.486 5.200 -0.973
142 HG23 ILE 24 3HG2 ILE 24 -10.324 3.526 -0.444
143 HD11 ILE 24 3HD1 ILE 24 -7.315 5.558 2.617
144 HD12 ILE 24 1HD1 ILE 24 -8.497 6.291 1.534
145 HD13 ILE 24 2HD1 ILE 24 -8.973 4.956 2.584
146 H SER 25 H SER 25 -7.756 5.655 -2.997
147 HA SER 25 HA SER 25 -5.117 5.075 -3.966
148 HB2 SER 25 1HB SER 25 -5.353 7.294 -5.115
149 HB3 SER 25 2HB SER 25 -6.662 6.165 -5.464
150 HG SER 25 HG SER 25 -6.767 8.218 -3.506
151 H SER 26 H SER 26 -6.440 6.824 -1.325
152 HA SER 26 HA SER 26 -4.290 8.651 -0.932
153 HB2 SER 26 1HB SER 26 -6.648 7.751 0.663
154 HB3 SER 26 2HB SER 26 -5.337 8.575 1.508
155 HG SER 26 HG SER 26 -5.599 10.171 -0.324
156 H GLN 27 H GLN 27 -5.139 5.523 0.519
157 HA GLN 27 HA GLN 27 -3.091 5.332 2.378
158 HB2 GLN 27 1HB GLN 27 -4.635 3.286 0.820
159 HB3 GLN 27 2HB GLN 27 -3.326 2.785 1.883
160 HG2 GLN 27 1HG GLN 27 -5.932 4.068 2.577
161 HG3 GLN 27 2HG GLN 27 -5.209 2.591 3.212
162 HE21 GLN 27 1HE2 GLN 27 -3.811 2.701 4.906
163 HE22 GLN 27 2HE2 GLN 27 -3.469 4.155 5.773
164 H LEU 28 H LEU 28 -3.083 4.493 -1.058
165 HA LEU 28 HA LEU 28 -0.441 3.427 -1.054
166 HB2 LEU 28 1HB LEU 28 -1.858 2.702 -2.783
167 HB3 LEU 28 2HB LEU 28 -2.313 4.350 -3.211
168 HG LEU 28 HG LEU 28 0.130 4.635 -3.934
169 HD11 LEU 28 1HD1 LEU 28 0.797 2.472 -2.776
170 HD12 LEU 28 2HD1 LEU 28 1.408 2.726 -4.411
171 HD13 LEU 28 3HD1 LEU 28 0.045 1.641 -4.138
172 HD21 LEU 28 3HD2 LEU 28 -0.754 2.787 -5.896
173 HD22 LEU 28 1HD2 LEU 28 -0.837 4.549 -5.927
174 HD23 LEU 28 2HD2 LEU 28 -2.171 3.616 -5.249
175 H ALA 29 H ALA 29 -1.816 6.550 -2.047
176 HA ALA 29 HA ALA 29 0.487 7.771 -2.987
177 HB1 ALA 29 3HB ALA 29 -2.091 8.709 -1.903
178 HB2 ALA 29 1HB ALA 29 -0.773 9.881 -1.903
179 HB3 ALA 29 2HB ALA 29 -1.275 9.117 -3.412
180 H THR 30 H THR 30 -0.785 7.716 0.333
181 HA THR 30 HA THR 30 1.355 9.238 1.430
182 HB THR 30 HB THR 30 -0.482 7.346 2.907
183 HG1 THR 30 HG1 THR 30 -0.930 10.118 2.738
184 HG21 THR 30 3HG2 THR 30 1.290 7.996 4.335
185 HG22 THR 30 1HG2 THR 30 -0.067 9.042 4.752
186 HG23 THR 30 2HG2 THR 30 1.249 9.660 3.753
187 H HIS 31 H HIS 31 1.180 6.067 0.329
188 HA HIS 31 HA HIS 31 3.162 5.020 2.186
189 HB2 HIS 31 1HB HIS 31 1.592 3.374 1.662
190 HB3 HIS 31 2HB HIS 31 1.524 3.840 -0.035
191 HD1 HIS 31 HD1 HIS 31 3.605 1.883 2.401
192 HD2 HIS 31 HD2 HIS 31 3.384 2.606 -1.684
193 HE1 HIS 31 HE1 HIS 31 5.162 0.218 1.338
194 H GLN 32 H GLN 32 2.892 5.270 -1.366
195 HA GLN 32 HA GLN 32 5.348 4.604 -2.203
196 HB2 GLN 32 1HB GLN 32 3.532 6.814 -3.080
197 HB3 GLN 32 2HB GLN 32 5.118 6.657 -3.825
198 HG2 GLN 32 1HG GLN 32 4.449 4.210 -4.233
199 HG3 GLN 32 2HG GLN 32 2.808 4.760 -3.902
200 HE21 GLN 32 1HE2 GLN 32 2.105 4.352 -5.982
201 HE22 GLN 32 2HE2 GLN 32 2.582 5.319 -7.332
202 H ARG 33 H ARG 33 4.571 7.423 -0.316
203 HA ARG 33 HA ARG 33 6.705 9.087 -0.700
204 HB2 ARG 33 1HB ARG 33 5.711 8.431 2.066
205 HB3 ARG 33 2HB ARG 33 6.311 9.969 1.460
206 HG2 ARG 33 1HG ARG 33 4.238 9.726 -0.163
207 HG3 ARG 33 2HG ARG 33 3.641 8.718 1.157
208 HD2 ARG 33 1HD ARG 33 4.712 11.501 1.563
209 HD3 ARG 33 2HD ARG 33 3.010 11.161 1.257
210 HE ARG 33 HE ARG 33 3.546 9.564 3.350
211 HH11 ARG 33 1HH1 ARG 33 4.169 12.937 2.756
212 HH12 ARG 33 2HH1 ARG 33 4.063 13.386 4.426
213 HH21 ARG 33 1HH2 ARG 33 3.404 10.142 5.552
214 HH22 ARG 33 2HH2 ARG 33 3.629 11.794 6.016
215 H ILE 34 H ILE 34 6.599 6.315 1.532
216 HA ILE 34 HA ILE 34 9.146 6.487 2.580
217 HB ILE 34 HB ILE 34 9.020 4.134 3.081
218 HG12 ILE 34 1HG1 ILE 34 6.512 3.778 1.501
219 HG13 ILE 34 2HG1 ILE 34 8.049 3.716 0.645
220 HG21 ILE 34 1HG2 ILE 34 6.899 4.052 4.241
221 HG22 ILE 34 2HG2 ILE 34 7.570 5.679 4.338
222 HG23 ILE 34 3HG2 ILE 34 6.257 5.334 3.213
223 HD11 ILE 34 3HD1 ILE 34 6.769 1.702 2.199
224 HD12 ILE 34 1HD1 ILE 34 8.241 1.598 1.233
225 HD13 ILE 34 2HD1 ILE 34 8.328 2.094 2.923
226 H HIS 35 H HIS 35 8.164 5.557 -0.602
227 HA HIS 35 HA HIS 35 10.721 4.340 -1.247
228 HB2 HIS 35 1HB HIS 35 8.272 4.901 -2.928
229 HB3 HIS 35 2HB HIS 35 9.723 4.105 -3.530
230 HD1 HIS 35 HD1 HIS 35 10.319 2.083 -1.394
231 HD2 HIS 35 HD2 HIS 35 6.455 2.918 -2.672
232 HE1 HIS 35 HE1 HIS 35 8.963 0.048 -0.807
233 H THR 36 H THR 36 9.038 7.367 -1.689
234 HA THR 36 HA THR 36 11.074 8.381 -3.508
235 HB THR 36 HB THR 36 9.716 10.438 -3.570
236 HG1 THR 36 HG1 THR 36 8.867 9.863 -1.298
237 HG21 THR 36 3HG2 THR 36 7.634 9.393 -4.543
238 HG22 THR 36 1HG2 THR 36 8.270 7.833 -4.027
239 HG23 THR 36 2HG2 THR 36 9.157 8.801 -5.204
240 H GLY 37 H GLY 37 11.963 7.682 -0.888
241 HA2 GLY 37 1HA GLY 37 12.281 10.200 0.544
242 HA3 GLY 37 2HA GLY 37 12.838 8.621 1.076
243 H GLU 38 H GLU 38 14.403 7.768 -0.963
244 HA GLU 38 HA GLU 38 16.762 9.323 -0.579
245 HB2 GLU 38 1HB GLU 38 16.145 6.900 -2.263
246 HB3 GLU 38 2HB GLU 38 17.731 7.658 -2.252
247 HG2 GLU 38 1HG GLU 38 17.631 7.352 0.296
248 HG3 GLU 38 2HG GLU 38 16.321 6.222 -0.040
249 H LYS 39 H LYS 39 17.750 10.752 -1.896
250 HA LYS 39 HA LYS 39 16.313 11.513 -4.342
251 HB2 LYS 39 1HB LYS 39 16.568 13.277 -2.657
252 HB3 LYS 39 2HB LYS 39 18.314 13.071 -2.694
253 HG2 LYS 39 1HG LYS 39 18.080 14.883 -4.059
254 HG3 LYS 39 2HG LYS 39 18.004 13.581 -5.248
255 HD2 LYS 39 1HD LYS 39 15.468 13.668 -4.910
256 HD3 LYS 39 2HD LYS 39 15.754 15.212 -4.105
257 HE2 LYS 39 1HE LYS 39 16.697 14.564 -6.892
258 HE3 LYS 39 2HE LYS 39 15.179 15.385 -6.535
259 HZ1 LYS 39 3HZ LYS 39 17.423 16.684 -7.009
260 HZ2 LYS 39 1HZ LYS 39 17.592 16.497 -5.336
261 HZ3 LYS 39 2HZ LYS 39 16.234 17.285 -5.965
262 HA PRO 40 HA PRO 40 19.606 9.929 -6.815
263 HB2 PRO 40 1HB PRO 40 19.054 11.279 -9.105
264 HB3 PRO 40 2HB PRO 40 18.089 9.910 -8.541
265 HG2 PRO 40 1HG PRO 40 17.553 12.843 -8.274
266 HG3 PRO 40 2HG PRO 40 16.433 11.535 -8.700
267 HD2 PRO 40 1HD PRO 40 16.555 12.598 -6.212
268 HD3 PRO 40 2HD PRO 40 16.150 10.894 -6.504
269 H SER 41 H SER 41 21.598 10.607 -6.256
270 HA SER 41 HA SER 41 22.336 13.392 -6.871
271 HB2 SER 41 1HB SER 41 22.469 12.347 -4.438
272 HB3 SER 41 2HB SER 41 23.997 11.708 -5.044
273 HG SER 41 HG SER 41 23.227 14.442 -5.071
274 H GLY 42 H GLY 42 23.189 13.333 -8.875
275 HA2 GLY 42 1HA GLY 42 25.681 11.890 -9.224
276 HA3 GLY 42 2HA GLY 42 24.380 11.387 -10.293
277 HA PRO 43 HA PRO 43 25.415 15.998 -11.385
278 HB2 PRO 43 1HB PRO 43 27.736 16.963 -10.361
279 HB3 PRO 43 2HB PRO 43 26.182 17.126 -9.536
280 HG2 PRO 43 1HG PRO 43 28.373 15.140 -9.071
281 HG3 PRO 43 2HG PRO 43 27.403 16.034 -7.886
282 HD2 PRO 43 1HD PRO 43 26.897 13.454 -8.534
283 HD3 PRO 43 2HD PRO 43 25.614 14.593 -8.075
284 H SER 44 H SER 44 26.967 16.917 -12.928
285 HA SER 44 HA SER 44 29.254 15.339 -13.692
286 HB2 SER 44 1HB SER 44 27.295 14.121 -14.705
287 HB3 SER 44 2HB SER 44 26.971 15.566 -15.664
288 HG SER 44 HG SER 44 28.575 15.069 -16.933
289 H SER 45 H SER 45 30.749 16.589 -14.638
290 HA SER 45 HA SER 45 30.439 19.366 -14.791
291 HB2 SER 45 1HB SER 45 32.639 19.386 -15.861
292 HB3 SER 45 2HB SER 45 32.624 18.237 -14.523
293 HG SER 45 HG SER 45 32.564 16.569 -15.949
294 H GLY 46 H GLY 46 30.482 20.778 -16.626
295 HA2 GLY 46 1HA GLY 46 29.080 19.614 -18.943
296 HA3 GLY 46 2HA GLY 46 28.938 21.284 -18.415
Start of MODEL 9
1 H1 GLY 1 H GLY 1 12.643 -13.771 -3.754
2 HA2 GLY 1 1HA GLY 1 10.965 -11.955 -4.489
3 HA3 GLY 1 2HA GLY 1 11.201 -12.677 -6.074
4 H SER 2 H SER 2 8.815 -12.450 -4.271
5 HA SER 2 HA SER 2 7.895 -15.170 -4.646
6 HB2 SER 2 1HB SER 2 8.956 -14.929 -2.290
7 HB3 SER 2 2HB SER 2 7.515 -13.987 -1.907
8 HG SER 2 HG SER 2 7.167 -16.460 -3.154
9 H SER 3 H SER 3 5.890 -15.121 -5.412
10 HA SER 3 HA SER 3 4.279 -12.700 -4.939
11 HB2 SER 3 1HB SER 3 4.817 -12.890 -7.276
12 HB3 SER 3 2HB SER 3 4.335 -14.586 -7.304
13 HG SER 3 HG SER 3 2.626 -13.466 -8.109
14 H GLY 4 H GLY 4 2.156 -12.888 -4.314
15 HA2 GLY 4 1HA GLY 4 0.419 -14.959 -4.418
16 HA3 GLY 4 2HA GLY 4 1.440 -15.389 -3.054
17 H SER 5 H SER 5 -1.358 -14.865 -2.938
18 HA SER 5 HA SER 5 -1.342 -12.869 -0.852
19 HB2 SER 5 1HB SER 5 -3.187 -11.539 -1.833
20 HB3 SER 5 2HB SER 5 -1.715 -11.448 -2.801
21 HG SER 5 HG SER 5 -3.180 -11.904 -4.299
22 H SER 6 H SER 6 -3.490 -12.737 0.241
23 HA SER 6 HA SER 6 -5.032 -15.224 -0.081
24 HB2 SER 6 1HB SER 6 -3.411 -15.225 1.895
25 HB3 SER 6 2HB SER 6 -4.443 -13.985 2.607
26 HG SER 6 HG SER 6 -6.178 -15.474 2.476
27 H GLY 7 H GLY 7 -5.032 -12.006 1.451
28 HA2 GLY 7 1HA GLY 7 -7.628 -11.670 2.137
29 HA3 GLY 7 2HA GLY 7 -6.675 -10.379 1.419
30 H THR 8 H THR 8 -9.447 -12.172 1.121
31 HA THR 8 HA THR 8 -9.587 -12.142 -1.775
32 HB THR 8 HB THR 8 -11.900 -13.014 -1.432
33 HG1 THR 8 HG1 THR 8 -12.396 -13.646 0.772
34 HG21 THR 8 3HG2 THR 8 -11.201 -15.198 -0.487
35 HG22 THR 8 1HG2 THR 8 -9.678 -14.463 0.012
36 HG23 THR 8 2HG2 THR 8 -10.079 -14.585 -1.701
37 H GLY 9 H GLY 9 -9.207 -9.583 -0.651
38 HA2 GLY 9 1HA GLY 9 -11.845 -8.308 -0.939
39 HA3 GLY 9 2HA GLY 9 -10.438 -7.575 -0.182
40 H GLU 10 H GLU 10 -11.620 -5.985 -1.882
41 HA GLU 10 HA GLU 10 -10.499 -6.319 -4.547
42 HB2 GLU 10 1HB GLU 10 -12.866 -5.379 -3.889
43 HB3 GLU 10 2HB GLU 10 -11.986 -3.871 -3.683
44 HG2 GLU 10 1HG GLU 10 -11.526 -3.669 -5.916
45 HG3 GLU 10 2HG GLU 10 -11.628 -5.404 -6.206
46 H LYS 11 H LYS 11 -8.617 -5.487 -5.141
47 HA LYS 11 HA LYS 11 -7.537 -3.209 -3.614
48 HB2 LYS 11 1HB LYS 11 -6.011 -5.545 -4.779
49 HB3 LYS 11 2HB LYS 11 -5.277 -4.138 -4.022
50 HG2 LYS 11 1HG LYS 11 -5.916 -4.770 -1.909
51 HG3 LYS 11 2HG LYS 11 -7.272 -5.738 -2.492
52 HD2 LYS 11 1HD LYS 11 -4.523 -6.576 -3.256
53 HD3 LYS 11 2HD LYS 11 -5.041 -6.851 -1.591
54 HE2 LYS 11 1HE LYS 11 -7.143 -7.896 -2.644
55 HE3 LYS 11 2HE LYS 11 -6.198 -7.948 -4.132
56 HZ1 LYS 11 3HZ LYS 11 -6.193 -9.963 -2.524
57 HZ2 LYS 11 1HZ LYS 11 -5.058 -9.054 -1.658
58 HZ3 LYS 11 2HZ LYS 11 -4.750 -9.482 -3.265
59 HA PRO 12 HA PRO 12 -7.906 -1.880 -7.999
60 HB2 PRO 12 1HB PRO 12 -8.504 0.696 -7.385
61 HB3 PRO 12 2HB PRO 12 -9.722 -0.583 -7.454
62 HG2 PRO 12 1HG PRO 12 -8.337 0.587 -5.072
63 HG3 PRO 12 2HG PRO 12 -10.048 0.170 -5.278
64 HD2 PRO 12 1HD PRO 12 -8.311 -1.424 -3.946
65 HD3 PRO 12 2HD PRO 12 -9.682 -2.069 -4.872
66 H PHE 13 H PHE 13 -6.123 -0.653 -5.254
67 HA PHE 13 HA PHE 13 -4.119 0.465 -7.103
68 HB2 PHE 13 1HB PHE 13 -5.068 1.441 -4.423
69 HB3 PHE 13 2HB PHE 13 -3.472 1.876 -5.026
70 HD1 PHE 13 HD2 PHE 13 -7.088 2.196 -5.599
71 HD2 PHE 13 HD1 PHE 13 -3.200 3.465 -6.776
72 HE1 PHE 13 HE2 PHE 13 -8.084 4.037 -6.892
73 HE2 PHE 13 HE1 PHE 13 -4.190 5.309 -8.071
74 HZ PHE 13 HZ PHE 13 -6.635 5.596 -8.131
75 H GLU 14 H GLU 14 -2.219 -0.529 -7.095
76 HA GLU 14 HA GLU 14 -1.267 -1.802 -4.638
77 HB2 GLU 14 1HB GLU 14 -1.276 -3.193 -7.322
78 HB3 GLU 14 2HB GLU 14 -0.633 -3.837 -5.817
79 HG2 GLU 14 1HG GLU 14 -2.866 -3.853 -4.853
80 HG3 GLU 14 2HG GLU 14 -3.522 -3.175 -6.342
81 H CYS 15 H CYS 15 0.740 -1.179 -4.224
82 HA CYS 15 HA CYS 15 2.243 0.410 -6.012
83 HB2 CYS 15 1HB CYS 15 2.424 0.575 -3.551
84 HB3 CYS 15 2HB CYS 15 3.174 -1.018 -3.512
85 H ALA 16 H ALA 16 4.406 -0.051 -6.822
86 HA ALA 16 HA ALA 16 4.724 -2.888 -7.560
87 HB1 ALA 16 3HB ALA 16 6.103 -1.524 -9.484
88 HB2 ALA 16 1HB ALA 16 4.454 -2.127 -9.647
89 HB3 ALA 16 2HB ALA 16 4.738 -0.451 -9.175
90 H GLU 17 H GLU 17 6.348 0.088 -6.619
91 HA GLU 17 HA GLU 17 8.995 -0.583 -6.856
92 HB2 GLU 17 1HB GLU 17 7.728 0.883 -4.534
93 HB3 GLU 17 2HB GLU 17 9.429 0.932 -4.973
94 HG2 GLU 17 1HG GLU 17 7.269 1.796 -6.865
95 HG3 GLU 17 2HG GLU 17 7.984 2.892 -5.684
96 H CYS 18 H CYS 18 6.743 -1.539 -4.309
97 HA CYS 18 HA CYS 18 8.788 -3.406 -3.299
98 HB2 CYS 18 1HB CYS 18 7.630 -3.285 -1.113
99 HB3 CYS 18 2HB CYS 18 8.269 -1.726 -1.623
100 H GLY 19 H GLY 19 5.288 -2.938 -3.734
101 HA2 GLY 19 1HA GLY 19 4.095 -4.702 -4.961
102 HA3 GLY 19 2HA GLY 19 5.057 -5.866 -4.062
103 H LYS 20 H LYS 20 3.077 -3.030 -3.188
104 HA LYS 20 HA LYS 20 1.688 -4.747 -1.236
105 HB2 LYS 20 1HB LYS 20 3.217 -2.861 -0.372
106 HB3 LYS 20 2HB LYS 20 1.971 -1.764 -0.955
107 HG2 LYS 20 1HG LYS 20 0.376 -2.613 0.561
108 HG3 LYS 20 2HG LYS 20 1.389 -4.002 0.962
109 HD2 LYS 20 1HD LYS 20 2.381 -1.225 1.467
110 HD3 LYS 20 2HD LYS 20 1.260 -1.984 2.600
111 HE2 LYS 20 1HE LYS 20 3.831 -3.266 1.697
112 HE3 LYS 20 2HE LYS 20 3.706 -2.256 3.137
113 HZ1 LYS 20 3HZ LYS 20 3.131 -4.972 2.895
114 HZ2 LYS 20 1HZ LYS 20 1.665 -4.184 3.197
115 HZ3 LYS 20 2HZ LYS 20 2.964 -3.992 4.264
116 H SER 21 H SER 21 -0.545 -4.271 -0.831
117 HA SER 21 HA SER 21 -1.862 -2.979 -3.129
118 HB2 SER 21 1HB SER 21 -3.797 -4.484 -2.619
119 HB3 SER 21 2HB SER 21 -2.337 -5.350 -3.097
120 HG SER 21 HG SER 21 -2.724 -4.876 -0.378
121 H PHE 22 H PHE 22 -3.877 -1.881 -2.716
122 HA PHE 22 HA PHE 22 -4.450 -1.163 0.047
123 HB2 PHE 22 1HB PHE 22 -3.891 0.971 -2.021
124 HB3 PHE 22 2HB PHE 22 -4.280 1.218 -0.322
125 HD1 PHE 22 HD1 PHE 22 -1.738 -0.350 -2.537
126 HD2 PHE 22 HD2 PHE 22 -2.580 1.441 1.231
127 HE1 PHE 22 HE1 PHE 22 0.660 -0.382 -1.990
128 HE2 PHE 22 HE2 PHE 22 -0.183 1.412 1.784
129 HZ PHE 22 HZ PHE 22 1.441 0.501 0.172
130 H SER 23 H SER 23 -6.474 0.032 0.272
131 HA SER 23 HA SER 23 -8.441 -0.946 -1.607
132 HB2 SER 23 1HB SER 23 -8.512 0.317 1.099
133 HB3 SER 23 2HB SER 23 -9.962 0.406 0.098
134 HG SER 23 HG SER 23 -10.331 -1.578 0.638
135 H ILE 24 H ILE 24 -7.393 2.224 -0.387
136 HA ILE 24 HA ILE 24 -8.725 3.463 -2.706
137 HB ILE 24 HB ILE 24 -8.348 5.595 -1.180
138 HG12 ILE 24 1HG1 ILE 24 -8.621 3.349 0.830
139 HG13 ILE 24 2HG1 ILE 24 -7.182 4.335 0.595
140 HG21 ILE 24 1HG2 ILE 24 -10.549 3.566 -1.086
141 HG22 ILE 24 2HG2 ILE 24 -10.645 5.054 -0.146
142 HG23 ILE 24 3HG2 ILE 24 -10.509 5.128 -1.903
143 HD11 ILE 24 3HD1 ILE 24 -9.112 6.219 1.022
144 HD12 ILE 24 1HD1 ILE 24 -9.623 4.901 2.077
145 HD13 ILE 24 2HD1 ILE 24 -8.005 5.585 2.241
146 H SER 25 H SER 25 -7.629 5.732 -3.134
147 HA SER 25 HA SER 25 -4.940 5.130 -3.955
148 HB2 SER 25 1HB SER 25 -5.016 7.415 -4.960
149 HB3 SER 25 2HB SER 25 -6.359 6.389 -5.462
150 HG SER 25 HG SER 25 -6.739 8.689 -4.670
151 H SER 26 H SER 26 -6.345 7.781 -2.021
152 HA SER 26 HA SER 26 -4.208 9.111 -1.131
153 HB2 SER 26 1HB SER 26 -6.738 9.143 -0.347
154 HB3 SER 26 2HB SER 26 -6.093 8.223 1.013
155 HG SER 26 HG SER 26 -6.021 10.431 1.472
156 H GLN 27 H GLN 27 -5.302 6.050 0.319
157 HA GLN 27 HA GLN 27 -3.376 5.775 2.279
158 HB2 GLN 27 1HB GLN 27 -5.014 3.855 0.695
159 HB3 GLN 27 2HB GLN 27 -3.693 3.211 1.661
160 HG2 GLN 27 1HG GLN 27 -5.997 4.863 2.669
161 HG3 GLN 27 2HG GLN 27 -5.774 3.128 2.888
162 HE21 GLN 27 1HE2 GLN 27 -6.018 5.332 4.836
163 HE22 GLN 27 2HE2 GLN 27 -4.615 5.217 5.838
164 H LEU 28 H LEU 28 -3.247 4.371 -1.000
165 HA LEU 28 HA LEU 28 -0.682 3.336 -0.875
166 HB2 LEU 28 1HB LEU 28 -1.961 2.706 -2.717
167 HB3 LEU 28 2HB LEU 28 -2.354 4.373 -3.131
168 HG LEU 28 HG LEU 28 0.031 4.679 -3.823
169 HD11 LEU 28 1HD1 LEU 28 1.278 2.567 -4.323
170 HD12 LEU 28 2HD1 LEU 28 0.097 1.709 -3.333
171 HD13 LEU 28 3HD1 LEU 28 1.122 2.948 -2.608
172 HD21 LEU 28 3HD2 LEU 28 -0.224 3.442 -5.939
173 HD22 LEU 28 1HD2 LEU 28 -1.696 4.296 -5.474
174 HD23 LEU 28 2HD2 LEU 28 -1.576 2.552 -5.236
175 H ALA 29 H ALA 29 -1.703 6.558 -1.979
176 HA ALA 29 HA ALA 29 0.736 7.590 -2.749
177 HB1 ALA 29 3HB ALA 29 -0.603 9.311 -3.153
178 HB2 ALA 29 1HB ALA 29 -1.851 8.626 -2.110
179 HB3 ALA 29 2HB ALA 29 -0.611 9.680 -1.428
180 H THR 30 H THR 30 -0.721 7.723 0.500
181 HA THR 30 HA THR 30 1.382 9.055 1.773
182 HB THR 30 HB THR 30 -0.438 7.005 3.047
183 HG1 THR 30 HG1 THR 30 -1.281 9.021 1.779
184 HG21 THR 30 3HG2 THR 30 0.589 7.552 4.945
185 HG22 THR 30 1HG2 THR 30 0.118 9.235 4.710
186 HG23 THR 30 2HG2 THR 30 1.653 8.651 4.068
187 H HIS 31 H HIS 31 1.209 5.871 0.570
188 HA HIS 31 HA HIS 31 3.311 4.871 2.325
189 HB2 HIS 31 1HB HIS 31 1.836 3.139 1.973
190 HB3 HIS 31 2HB HIS 31 1.453 3.655 0.333
191 HD1 HIS 31 HD1 HIS 31 3.812 1.541 2.284
192 HD2 HIS 31 HD2 HIS 31 3.215 2.710 -1.658
193 HE1 HIS 31 HE1 HIS 31 5.256 0.014 0.904
194 H GLN 32 H GLN 32 2.787 5.147 -1.195
195 HA GLN 32 HA GLN 32 5.174 4.455 -2.211
196 HB2 GLN 32 1HB GLN 32 3.582 6.905 -2.983
197 HB3 GLN 32 2HB GLN 32 4.860 6.196 -3.961
198 HG2 GLN 32 1HG GLN 32 3.533 4.078 -4.006
199 HG3 GLN 32 2HG GLN 32 2.221 4.960 -3.227
200 HE21 GLN 32 1HE2 GLN 32 4.131 4.627 -6.124
201 HE22 GLN 32 2HE2 GLN 32 3.056 5.485 -7.170
202 H ARG 33 H ARG 33 4.569 7.213 -0.202
203 HA ARG 33 HA ARG 33 6.709 8.863 -0.765
204 HB2 ARG 33 1HB ARG 33 5.861 8.312 2.066
205 HB3 ARG 33 2HB ARG 33 6.396 9.828 1.355
206 HG2 ARG 33 1HG ARG 33 4.238 9.539 -0.108
207 HG3 ARG 33 2HG ARG 33 3.734 8.512 1.235
208 HD2 ARG 33 1HD ARG 33 4.877 11.179 1.869
209 HD3 ARG 33 2HD ARG 33 3.248 11.118 1.197
210 HE ARG 33 HE ARG 33 2.495 10.160 3.157
211 HH11 ARG 33 1HH1 ARG 33 5.974 10.306 3.149
212 HH12 ARG 33 2HH1 ARG 33 6.125 9.904 4.827
213 HH21 ARG 33 1HH2 ARG 33 2.681 9.630 5.367
214 HH22 ARG 33 2HH2 ARG 33 4.251 9.519 6.088
215 H ILE 34 H ILE 34 6.623 6.061 1.416
216 HA ILE 34 HA ILE 34 9.140 6.163 2.497
217 HB ILE 34 HB ILE 34 9.032 3.812 2.861
218 HG12 ILE 34 1HG1 ILE 34 6.829 3.629 0.801
219 HG13 ILE 34 2HG1 ILE 34 8.515 3.270 0.446
220 HG21 ILE 34 1HG2 ILE 34 6.907 5.536 3.439
221 HG22 ILE 34 2HG2 ILE 34 6.166 4.015 2.943
222 HG23 ILE 34 3HG2 ILE 34 7.328 4.038 4.268
223 HD11 ILE 34 3HD1 ILE 34 7.268 1.241 0.865
224 HD12 ILE 34 1HD1 ILE 34 8.480 1.491 2.121
225 HD13 ILE 34 2HD1 ILE 34 6.783 1.843 2.449
226 H HIS 35 H HIS 35 8.246 5.427 -0.773
227 HA HIS 35 HA HIS 35 10.821 4.309 -1.465
228 HB2 HIS 35 1HB HIS 35 8.391 5.045 -3.098
229 HB3 HIS 35 2HB HIS 35 9.875 4.426 -3.817
230 HD1 HIS 35 HD1 HIS 35 10.575 1.952 -3.019
231 HD2 HIS 35 HD2 HIS 35 6.685 3.133 -2.160
232 HE1 HIS 35 HE1 HIS 35 9.326 -0.169 -2.507
233 H THR 36 H THR 36 10.354 7.176 -0.467
234 HA THR 36 HA THR 36 10.900 9.005 -2.504
235 HB THR 36 HB THR 36 12.009 10.354 -0.601
236 HG1 THR 36 HG1 THR 36 10.787 8.326 0.978
237 HG21 THR 36 3HG2 THR 36 9.967 11.246 -0.662
238 HG22 THR 36 1HG2 THR 36 9.462 10.062 0.543
239 HG23 THR 36 2HG2 THR 36 9.263 9.712 -1.174
240 H GLY 37 H GLY 37 13.232 7.598 -0.187
241 HA2 GLY 37 1HA GLY 37 15.490 7.225 -0.360
242 HA3 GLY 37 2HA GLY 37 15.182 6.928 -2.064
243 H GLU 38 H GLU 38 16.700 8.934 0.166
244 HA GLU 38 HA GLU 38 16.761 11.293 -1.508
245 HB2 GLU 38 1HB GLU 38 18.083 10.574 1.104
246 HB3 GLU 38 2HB GLU 38 18.427 12.075 0.256
247 HG2 GLU 38 1HG GLU 38 15.596 11.376 0.836
248 HG3 GLU 38 2HG GLU 38 16.617 11.964 2.147
249 H LYS 39 H LYS 39 17.729 8.986 -2.802
250 HA LYS 39 HA LYS 39 20.251 9.957 -3.721
251 HB2 LYS 39 1HB LYS 39 21.216 8.852 -1.869
252 HB3 LYS 39 2HB LYS 39 20.154 7.461 -2.042
253 HG2 LYS 39 1HG LYS 39 21.298 6.944 -4.195
254 HG3 LYS 39 2HG LYS 39 22.443 8.238 -3.833
255 HD2 LYS 39 1HD LYS 39 22.702 6.948 -1.563
256 HD3 LYS 39 2HD LYS 39 22.077 5.590 -2.503
257 HE2 LYS 39 1HE LYS 39 23.885 6.178 -4.212
258 HE3 LYS 39 2HE LYS 39 24.589 7.180 -2.943
259 HZ1 LYS 39 3HZ LYS 39 24.037 4.273 -2.691
260 HZ2 LYS 39 1HZ LYS 39 24.807 5.252 -1.547
261 HZ3 LYS 39 2HZ LYS 39 25.553 4.941 -3.033
262 HA PRO 40 HA PRO 40 18.611 7.980 -7.311
263 HB2 PRO 40 1HB PRO 40 20.810 8.183 -8.891
264 HB3 PRO 40 2HB PRO 40 19.767 9.560 -8.514
265 HG2 PRO 40 1HG PRO 40 22.381 8.771 -7.286
266 HG3 PRO 40 2HG PRO 40 21.810 10.380 -7.763
267 HD2 PRO 40 1HD PRO 40 21.765 9.520 -5.196
268 HD3 PRO 40 2HD PRO 40 20.551 10.638 -5.850
269 H SER 41 H SER 41 18.398 5.857 -6.455
270 HA SER 41 HA SER 41 20.691 4.086 -6.991
271 HB2 SER 41 1HB SER 41 19.635 2.520 -5.359
272 HB3 SER 41 2HB SER 41 20.109 4.059 -4.638
273 HG SER 41 HG SER 41 17.969 4.713 -4.696
274 H GLY 42 H GLY 42 19.892 1.741 -7.413
275 HA2 GLY 42 1HA GLY 42 18.264 1.860 -9.782
276 HA3 GLY 42 2HA GLY 42 19.034 0.428 -9.114
277 HA PRO 43 HA PRO 43 14.359 0.445 -8.389
278 HB2 PRO 43 1HB PRO 43 13.752 -1.633 -10.028
279 HB3 PRO 43 2HB PRO 43 13.767 0.049 -10.574
280 HG2 PRO 43 1HG PRO 43 15.862 -2.065 -10.895
281 HG3 PRO 43 2HG PRO 43 15.279 -0.878 -12.077
282 HD2 PRO 43 1HD PRO 43 17.590 -0.553 -10.704
283 HD3 PRO 43 2HD PRO 43 16.576 0.815 -11.203
284 H SER 44 H SER 44 13.085 -1.814 -8.032
285 HA SER 44 HA SER 44 14.868 -3.622 -6.549
286 HB2 SER 44 1HB SER 44 12.336 -2.312 -5.564
287 HB3 SER 44 2HB SER 44 12.980 -3.778 -4.825
288 HG SER 44 HG SER 44 14.203 -2.477 -3.732
289 H SER 45 H SER 45 14.030 -5.762 -6.219
290 HA SER 45 HA SER 45 12.259 -6.576 -8.400
291 HB2 SER 45 1HB SER 45 14.371 -7.938 -6.785
292 HB3 SER 45 2HB SER 45 13.093 -8.924 -7.495
293 HG SER 45 HG SER 45 14.874 -7.183 -8.854
294 H GLY 46 H GLY 46 10.567 -8.128 -8.041
295 HA2 GLY 46 1HA GLY 46 9.336 -9.425 -6.302
296 HA3 GLY 46 2HA GLY 46 9.475 -7.990 -5.297
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -13.011 -32.699 -3.064
2 HA2 GLY 1 1HA GLY 1 -14.631 -30.984 -4.344
3 HA3 GLY 1 2HA GLY 1 -14.811 -30.454 -2.678
4 H SER 2 H SER 2 -12.888 -30.338 -5.489
5 HA SER 2 HA SER 2 -10.607 -29.178 -4.074
6 HB2 SER 2 1HB SER 2 -11.044 -30.314 -6.794
7 HB3 SER 2 2HB SER 2 -9.811 -29.066 -6.619
8 HG SER 2 HG SER 2 -9.851 -31.668 -5.683
9 H SER 3 H SER 3 -11.482 -27.203 -3.424
10 HA SER 3 HA SER 3 -11.896 -25.282 -5.617
11 HB2 SER 3 1HB SER 3 -13.526 -25.696 -3.130
12 HB3 SER 3 2HB SER 3 -13.440 -24.099 -3.873
13 HG SER 3 HG SER 3 -15.185 -25.611 -4.570
14 H GLY 4 H GLY 4 -11.420 -25.353 -2.076
15 HA2 GLY 4 1HA GLY 4 -10.092 -24.065 -0.712
16 HA3 GLY 4 2HA GLY 4 -8.906 -24.206 -2.001
17 H SER 5 H SER 5 -11.222 -22.174 -0.451
18 HA SER 5 HA SER 5 -11.005 -20.074 -2.443
19 HB2 SER 5 1HB SER 5 -13.145 -20.504 -1.235
20 HB3 SER 5 2HB SER 5 -12.361 -20.002 0.263
21 HG SER 5 HG SER 5 -11.889 -17.986 -0.967
22 H SER 6 H SER 6 -9.685 -18.361 -2.352
23 HA SER 6 HA SER 6 -8.449 -17.556 0.145
24 HB2 SER 6 1HB SER 6 -6.911 -18.789 -2.125
25 HB3 SER 6 2HB SER 6 -6.149 -17.607 -1.061
26 HG SER 6 HG SER 6 -7.384 -20.032 -0.248
27 H GLY 7 H GLY 7 -6.761 -15.708 -0.443
28 HA2 GLY 7 1HA GLY 7 -6.887 -14.156 -2.693
29 HA3 GLY 7 2HA GLY 7 -8.312 -13.692 -1.774
30 H THR 8 H THR 8 -5.945 -12.116 -2.479
31 HA THR 8 HA THR 8 -4.720 -11.656 0.145
32 HB THR 8 HB THR 8 -3.131 -11.864 -1.674
33 HG1 THR 8 HG1 THR 8 -2.311 -10.409 -0.301
34 HG21 THR 8 3HG2 THR 8 -4.574 -11.209 -3.530
35 HG22 THR 8 1HG2 THR 8 -3.094 -10.252 -3.529
36 HG23 THR 8 2HG2 THR 8 -4.600 -9.548 -2.940
37 H GLY 9 H GLY 9 -6.825 -10.198 -2.225
38 HA2 GLY 9 1HA GLY 9 -8.140 -8.486 -0.549
39 HA3 GLY 9 2HA GLY 9 -6.743 -7.564 -1.083
40 H GLU 10 H GLU 10 -6.551 -8.502 -3.717
41 HA GLU 10 HA GLU 10 -7.341 -8.092 -5.811
42 HB2 GLU 10 1HB GLU 10 -10.040 -8.424 -4.489
43 HB3 GLU 10 2HB GLU 10 -9.758 -8.389 -6.224
44 HG2 GLU 10 1HG GLU 10 -8.871 -10.483 -6.268
45 HG3 GLU 10 2HG GLU 10 -8.255 -10.378 -4.620
46 H LYS 11 H LYS 11 -6.544 -5.886 -4.499
47 HA LYS 11 HA LYS 11 -8.637 -3.865 -4.854
48 HB2 LYS 11 1HB LYS 11 -6.045 -3.947 -3.358
49 HB3 LYS 11 2HB LYS 11 -6.711 -2.393 -3.842
50 HG2 LYS 11 1HG LYS 11 -7.618 -2.586 -1.764
51 HG3 LYS 11 2HG LYS 11 -8.889 -3.352 -2.719
52 HD2 LYS 11 1HD LYS 11 -7.878 -5.555 -2.227
53 HD3 LYS 11 2HD LYS 11 -6.689 -4.752 -1.199
54 HE2 LYS 11 1HE LYS 11 -8.765 -3.769 0.003
55 HE3 LYS 11 2HE LYS 11 -9.637 -5.082 -0.787
56 HZ1 LYS 11 3HZ LYS 11 -7.761 -6.527 0.216
57 HZ2 LYS 11 1HZ LYS 11 -9.034 -6.019 1.207
58 HZ3 LYS 11 2HZ LYS 11 -7.542 -5.225 1.273
59 HA PRO 12 HA PRO 12 -6.958 -2.495 -8.685
60 HB2 PRO 12 1HB PRO 12 -7.885 0.057 -8.678
61 HB3 PRO 12 2HB PRO 12 -8.926 -1.342 -8.964
62 HG2 PRO 12 1HG PRO 12 -8.515 0.230 -6.450
63 HG3 PRO 12 2HG PRO 12 -10.024 -0.385 -7.152
64 HD2 PRO 12 1HD PRO 12 -8.756 -1.626 -5.106
65 HD3 PRO 12 2HD PRO 12 -9.685 -2.512 -6.332
66 H PHE 13 H PHE 13 -6.367 -0.671 -5.740
67 HA PHE 13 HA PHE 13 -4.177 0.810 -6.943
68 HB2 PHE 13 1HB PHE 13 -5.160 0.770 -4.081
69 HB3 PHE 13 2HB PHE 13 -3.980 1.892 -4.750
70 HD1 PHE 13 HD1 PHE 13 -4.822 3.234 -6.858
71 HD2 PHE 13 HD2 PHE 13 -7.351 1.438 -3.943
72 HE1 PHE 13 HE1 PHE 13 -6.638 4.768 -7.493
73 HE2 PHE 13 HE2 PHE 13 -9.171 2.968 -4.575
74 HZ PHE 13 HZ PHE 13 -8.817 4.635 -6.352
75 H GLU 14 H GLU 14 -2.575 -0.645 -7.416
76 HA GLU 14 HA GLU 14 -1.452 -2.143 -5.141
77 HB2 GLU 14 1HB GLU 14 -2.345 -3.510 -7.055
78 HB3 GLU 14 2HB GLU 14 -1.104 -2.789 -8.070
79 HG2 GLU 14 1HG GLU 14 0.562 -3.677 -6.348
80 HG3 GLU 14 2HG GLU 14 -0.775 -4.663 -5.757
81 H CYS 15 H CYS 15 0.645 -1.852 -4.607
82 HA CYS 15 HA CYS 15 2.011 0.424 -5.663
83 HB2 CYS 15 1HB CYS 15 2.065 -0.550 -3.255
84 HB3 CYS 15 2HB CYS 15 3.300 -1.631 -3.891
85 H ALA 16 H ALA 16 4.192 0.401 -6.531
86 HA ALA 16 HA ALA 16 4.717 -2.006 -8.152
87 HB1 ALA 16 3HB ALA 16 4.258 0.641 -8.992
88 HB2 ALA 16 1HB ALA 16 5.971 0.315 -9.259
89 HB3 ALA 16 2HB ALA 16 4.750 -0.740 -9.973
90 H GLU 17 H GLU 17 5.920 0.131 -5.790
91 HA GLU 17 HA GLU 17 8.715 -0.325 -6.316
92 HB2 GLU 17 1HB GLU 17 7.295 0.894 -3.943
93 HB3 GLU 17 2HB GLU 17 9.042 0.829 -4.128
94 HG2 GLU 17 1HG GLU 17 7.359 2.094 -6.243
95 HG3 GLU 17 2HG GLU 17 7.759 2.980 -4.773
96 H CYS 18 H CYS 18 6.304 -1.512 -4.016
97 HA CYS 18 HA CYS 18 8.214 -3.606 -3.207
98 HB2 CYS 18 1HB CYS 18 6.851 -3.750 -1.097
99 HB3 CYS 18 2HB CYS 18 7.734 -2.241 -1.301
100 H GLY 19 H GLY 19 4.803 -2.893 -3.863
101 HA2 GLY 19 1HA GLY 19 3.652 -4.458 -5.373
102 HA3 GLY 19 2HA GLY 19 4.440 -5.758 -4.490
103 H LYS 20 H LYS 20 3.558 -3.379 -2.339
104 HA LYS 20 HA LYS 20 1.446 -5.007 -1.258
105 HB2 LYS 20 1HB LYS 20 3.258 -3.508 -0.045
106 HB3 LYS 20 2HB LYS 20 2.029 -2.264 -0.228
107 HG2 LYS 20 1HG LYS 20 0.493 -3.432 1.110
108 HG3 LYS 20 2HG LYS 20 1.426 -4.928 1.015
109 HD2 LYS 20 1HD LYS 20 2.563 -2.445 2.263
110 HD3 LYS 20 2HD LYS 20 1.553 -3.561 3.186
111 HE2 LYS 20 1HE LYS 20 3.160 -5.383 2.354
112 HE3 LYS 20 2HE LYS 20 4.231 -4.051 1.920
113 HZ1 LYS 20 3HZ LYS 20 4.723 -3.641 4.057
114 HZ2 LYS 20 1HZ LYS 20 4.213 -5.234 4.312
115 HZ3 LYS 20 2HZ LYS 20 3.153 -3.949 4.607
116 H SER 21 H SER 21 -0.709 -4.659 -1.319
117 HA SER 21 HA SER 21 -1.662 -2.589 -3.138
118 HB2 SER 21 1HB SER 21 -3.882 -3.835 -2.799
119 HB3 SER 21 2HB SER 21 -2.596 -4.701 -3.640
120 HG SER 21 HG SER 21 -3.201 -4.938 -0.875
121 H PHE 22 H PHE 22 -3.877 -1.629 -2.503
122 HA PHE 22 HA PHE 22 -4.156 -1.102 0.340
123 HB2 PHE 22 1HB PHE 22 -3.577 1.097 -1.655
124 HB3 PHE 22 2HB PHE 22 -4.120 1.364 -0.002
125 HD1 PHE 22 HD1 PHE 22 -1.354 0.071 -2.070
126 HD2 PHE 22 HD2 PHE 22 -2.613 1.274 1.814
127 HE1 PHE 22 HE1 PHE 22 0.983 0.027 -1.302
128 HE2 PHE 22 HE2 PHE 22 -0.278 1.233 2.588
129 HZ PHE 22 HZ PHE 22 1.524 0.609 1.029
130 H SER 23 H SER 23 -6.180 -0.240 0.916
131 HA SER 23 HA SER 23 -8.332 -1.039 -0.714
132 HB2 SER 23 1HB SER 23 -8.322 0.809 1.684
133 HB3 SER 23 2HB SER 23 -9.759 0.073 0.975
134 HG SER 23 HG SER 23 -8.885 -1.081 2.801
135 H ILE 24 H ILE 24 -7.073 2.189 0.078
136 HA ILE 24 HA ILE 24 -8.568 3.239 -2.235
137 HB ILE 24 HB ILE 24 -8.351 5.482 -1.024
138 HG12 ILE 24 1HG1 ILE 24 -7.886 3.622 1.317
139 HG13 ILE 24 2HG1 ILE 24 -6.699 4.736 0.647
140 HG21 ILE 24 1HG2 ILE 24 -10.163 4.096 0.713
141 HG22 ILE 24 2HG2 ILE 24 -10.514 5.171 -0.639
142 HG23 ILE 24 3HG2 ILE 24 -10.278 3.447 -0.923
143 HD11 ILE 24 3HD1 ILE 24 -8.278 6.597 1.211
144 HD12 ILE 24 1HD1 ILE 24 -9.248 5.410 2.083
145 HD13 ILE 24 2HD1 ILE 24 -7.591 5.740 2.591
146 H SER 25 H SER 25 -7.498 5.534 -2.798
147 HA SER 25 HA SER 25 -4.861 4.875 -3.744
148 HB2 SER 25 1HB SER 25 -6.207 6.061 -5.294
149 HB3 SER 25 2HB SER 25 -6.660 7.272 -4.095
150 HG SER 25 HG SER 25 -4.728 8.221 -4.293
151 H SER 26 H SER 26 -6.182 7.547 -1.783
152 HA SER 26 HA SER 26 -4.002 8.941 -1.088
153 HB2 SER 26 1HB SER 26 -5.900 8.033 1.072
154 HB3 SER 26 2HB SER 26 -5.078 9.586 0.920
155 HG SER 26 HG SER 26 -7.457 9.226 0.221
156 H GLN 27 H GLN 27 -4.930 5.856 0.403
157 HA GLN 27 HA GLN 27 -2.827 5.704 2.249
158 HB2 GLN 27 1HB GLN 27 -4.476 3.571 0.901
159 HB3 GLN 27 2HB GLN 27 -3.272 3.202 2.129
160 HG2 GLN 27 1HG GLN 27 -5.787 4.813 2.439
161 HG3 GLN 27 2HG GLN 27 -5.379 3.277 3.202
162 HE21 GLN 27 1HE2 GLN 27 -4.312 3.280 5.089
163 HE22 GLN 27 2HE2 GLN 27 -3.746 4.698 5.897
164 H LEU 28 H LEU 28 -3.081 4.515 -1.080
165 HA LEU 28 HA LEU 28 -0.558 3.244 -1.146
166 HB2 LEU 28 1HB LEU 28 -2.118 2.616 -2.789
167 HB3 LEU 28 2HB LEU 28 -2.403 4.287 -3.272
168 HG LEU 28 HG LEU 28 -0.095 4.340 -4.211
169 HD11 LEU 28 1HD1 LEU 28 -0.066 1.657 -3.027
170 HD12 LEU 28 2HD1 LEU 28 1.265 2.751 -3.402
171 HD13 LEU 28 3HD1 LEU 28 0.562 1.749 -4.673
172 HD21 LEU 28 3HD2 LEU 28 -1.788 2.135 -5.371
173 HD22 LEU 28 1HD2 LEU 28 -0.660 3.191 -6.222
174 HD23 LEU 28 2HD2 LEU 28 -2.152 3.852 -5.551
175 H ALA 29 H ALA 29 -1.614 6.427 -2.347
176 HA ALA 29 HA ALA 29 0.846 7.310 -3.309
177 HB1 ALA 29 3HB ALA 29 -0.340 9.611 -2.411
178 HB2 ALA 29 1HB ALA 29 -0.637 8.845 -3.971
179 HB3 ALA 29 2HB ALA 29 -1.713 8.524 -2.611
180 H THR 30 H THR 30 -0.620 7.898 -0.113
181 HA THR 30 HA THR 30 1.587 9.288 0.958
182 HB THR 30 HB THR 30 -0.346 7.670 2.609
183 HG1 THR 30 HG1 THR 30 -1.642 9.647 2.523
184 HG21 THR 30 3HG2 THR 30 1.706 9.595 3.159
185 HG22 THR 30 1HG2 THR 30 0.704 8.687 4.291
186 HG23 THR 30 2HG2 THR 30 0.143 10.237 3.663
187 H HIS 31 H HIS 31 1.250 6.047 0.155
188 HA HIS 31 HA HIS 31 3.073 5.075 2.213
189 HB2 HIS 31 1HB HIS 31 1.500 3.431 1.865
190 HB3 HIS 31 2HB HIS 31 1.330 3.805 0.152
191 HD1 HIS 31 HD1 HIS 31 3.544 1.925 2.544
192 HD2 HIS 31 HD2 HIS 31 2.947 2.342 -1.546
193 HE1 HIS 31 HE1 HIS 31 4.924 0.114 1.475
194 H GLN 32 H GLN 32 2.930 5.072 -1.352
195 HA GLN 32 HA GLN 32 5.470 4.150 -1.883
196 HB2 GLN 32 1HB GLN 32 3.848 6.201 -3.394
197 HB3 GLN 32 2HB GLN 32 5.303 5.440 -4.023
198 HG2 GLN 32 1HG GLN 32 4.087 3.223 -3.587
199 HG3 GLN 32 2HG GLN 32 2.633 4.211 -3.465
200 HE21 GLN 32 1HE2 GLN 32 2.168 2.682 -5.325
201 HE22 GLN 32 2HE2 GLN 32 2.559 3.258 -6.906
202 H ARG 33 H ARG 33 4.559 7.118 -0.461
203 HA ARG 33 HA ARG 33 6.685 8.777 -1.235
204 HB2 ARG 33 1HB ARG 33 6.113 10.148 0.659
205 HB3 ARG 33 2HB ARG 33 4.627 9.536 -0.056
206 HG2 ARG 33 1HG ARG 33 4.154 9.160 2.127
207 HG3 ARG 33 2HG ARG 33 4.974 7.641 1.762
208 HD2 ARG 33 1HD ARG 33 6.847 8.209 2.942
209 HD3 ARG 33 2HD ARG 33 6.629 9.936 2.664
210 HE ARG 33 HE ARG 33 4.555 9.303 4.279
211 HH11 ARG 33 1HH1 ARG 33 7.989 8.766 4.472
212 HH12 ARG 33 2HH1 ARG 33 8.031 8.812 6.203
213 HH21 ARG 33 1HH2 ARG 33 4.597 9.365 6.559
214 HH22 ARG 33 2HH2 ARG 33 6.101 9.151 7.390
215 H ILE 34 H ILE 34 6.397 6.386 1.338
216 HA ILE 34 HA ILE 34 8.775 6.984 2.706
217 HB ILE 34 HB ILE 34 8.534 4.953 3.835
218 HG12 ILE 34 1HG1 ILE 34 6.930 3.911 1.490
219 HG13 ILE 34 2HG1 ILE 34 8.608 3.505 1.835
220 HG21 ILE 34 1HG2 ILE 34 5.721 5.471 2.902
221 HG22 ILE 34 2HG2 ILE 34 6.254 4.870 4.472
222 HG23 ILE 34 3HG2 ILE 34 6.582 6.540 4.010
223 HD11 ILE 34 3HD1 ILE 34 8.046 2.227 3.685
224 HD12 ILE 34 1HD1 ILE 34 6.461 2.982 3.847
225 HD13 ILE 34 2HD1 ILE 34 6.771 1.856 2.524
226 H HIS 35 H HIS 35 8.177 5.277 -0.255
227 HA HIS 35 HA HIS 35 10.634 3.854 -0.376
228 HB2 HIS 35 1HB HIS 35 8.716 4.701 -2.556
229 HB3 HIS 35 2HB HIS 35 10.090 3.628 -2.807
230 HD1 HIS 35 HD1 HIS 35 9.740 1.865 -0.269
231 HD2 HIS 35 HD2 HIS 35 6.680 2.906 -2.879
232 HE1 HIS 35 HE1 HIS 35 7.977 0.095 0.021
233 H THR 36 H THR 36 9.710 7.114 -1.060
234 HA THR 36 HA THR 36 12.222 7.633 -2.476
235 HB THR 36 HB THR 36 11.314 9.759 -3.113
236 HG1 THR 36 HG1 THR 36 9.136 9.138 -1.377
237 HG21 THR 36 3HG2 THR 36 10.389 7.479 -4.087
238 HG22 THR 36 1HG2 THR 36 9.727 9.031 -4.599
239 HG23 THR 36 2HG2 THR 36 8.879 8.067 -3.390
240 H GLY 37 H GLY 37 12.742 7.014 0.086
241 HA2 GLY 37 1HA GLY 37 14.250 9.109 1.051
242 HA3 GLY 37 2HA GLY 37 12.695 9.253 1.856
243 H GLU 38 H GLU 38 14.760 6.484 0.973
244 HA GLU 38 HA GLU 38 14.721 5.693 3.811
245 HB2 GLU 38 1HB GLU 38 14.133 4.118 1.357
246 HB3 GLU 38 2HB GLU 38 15.015 3.307 2.643
247 HG2 GLU 38 1HG GLU 38 13.189 4.003 4.209
248 HG3 GLU 38 2HG GLU 38 12.287 4.557 2.800
249 H LYS 39 H LYS 39 16.572 6.471 1.106
250 HA LYS 39 HA LYS 39 18.942 5.072 2.132
251 HB2 LYS 39 1HB LYS 39 19.967 5.510 -0.017
252 HB3 LYS 39 2HB LYS 39 18.389 4.773 -0.264
253 HG2 LYS 39 1HG LYS 39 17.434 6.947 -0.784
254 HG3 LYS 39 2HG LYS 39 18.996 7.715 -0.491
255 HD2 LYS 39 1HD LYS 39 19.942 6.264 -2.307
256 HD3 LYS 39 2HD LYS 39 18.292 5.749 -2.667
257 HE2 LYS 39 1HE LYS 39 19.037 8.654 -2.587
258 HE3 LYS 39 2HE LYS 39 19.306 7.682 -4.034
259 HZ1 LYS 39 3HZ LYS 39 16.858 7.058 -3.780
260 HZ2 LYS 39 1HZ LYS 39 17.218 8.609 -4.352
261 HZ3 LYS 39 2HZ LYS 39 16.748 8.390 -2.742
262 HA PRO 40 HA PRO 40 20.583 8.793 3.814
263 HB2 PRO 40 1HB PRO 40 23.223 8.161 3.778
264 HB3 PRO 40 2HB PRO 40 22.081 7.454 4.928
265 HG2 PRO 40 1HG PRO 40 23.154 6.311 2.378
266 HG3 PRO 40 2HG PRO 40 22.920 5.519 3.947
267 HD2 PRO 40 1HD PRO 40 21.182 5.224 1.892
268 HD3 PRO 40 2HD PRO 40 20.665 5.200 3.590
269 H SER 41 H SER 41 22.001 7.512 0.837
270 HA SER 41 HA SER 41 22.749 8.533 -1.055
271 HB2 SER 41 1HB SER 41 20.643 9.836 -0.882
272 HB3 SER 41 2HB SER 41 21.489 11.033 0.098
273 HG SER 41 HG SER 41 21.622 11.817 -1.926
274 H GLY 42 H GLY 42 24.468 8.285 1.184
275 HA2 GLY 42 1HA GLY 42 26.196 10.650 0.784
276 HA3 GLY 42 2HA GLY 42 26.062 9.830 2.332
277 HA PRO 43 HA PRO 43 29.304 7.908 -0.676
278 HB2 PRO 43 1HB PRO 43 31.501 9.409 -0.137
279 HB3 PRO 43 2HB PRO 43 30.383 9.781 -1.455
280 HG2 PRO 43 1HG PRO 43 30.551 10.983 1.282
281 HG3 PRO 43 2HG PRO 43 30.305 11.786 -0.279
282 HD2 PRO 43 1HD PRO 43 28.270 11.269 1.430
283 HD3 PRO 43 2HD PRO 43 28.059 11.271 -0.333
284 H SER 44 H SER 44 31.646 7.212 0.120
285 HA SER 44 HA SER 44 31.244 6.127 2.800
286 HB2 SER 44 1HB SER 44 31.811 4.433 1.253
287 HB3 SER 44 2HB SER 44 33.085 5.410 0.523
288 HG SER 44 HG SER 44 34.419 4.678 1.963
289 H SER 45 H SER 45 31.703 8.063 3.958
290 HA SER 45 HA SER 45 34.470 8.331 4.643
291 HB2 SER 45 1HB SER 45 33.141 10.387 2.936
292 HB3 SER 45 2HB SER 45 34.236 10.942 4.201
293 HG SER 45 HG SER 45 34.876 9.046 2.187
294 H GLY 46 H GLY 46 34.793 9.887 6.432
295 HA2 GLY 46 1HA GLY 46 32.791 9.574 8.405
296 HA3 GLY 46 2HA GLY 46 34.224 10.581 8.546
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -2.869 -28.982 -17.287
2 HA2 GLY 1 1HA GLY 1 -0.909 -30.538 -16.490
3 HA3 GLY 1 2HA GLY 1 -0.036 -29.014 -16.547
4 H SER 2 H SER 2 -0.049 -27.774 -14.785
5 HA SER 2 HA SER 2 -2.105 -28.307 -12.740
6 HB2 SER 2 1HB SER 2 0.847 -27.770 -12.358
7 HB3 SER 2 2HB SER 2 -0.329 -27.738 -11.045
8 HG SER 2 HG SER 2 0.487 -29.925 -12.633
9 H SER 3 H SER 3 -3.427 -26.603 -12.804
10 HA SER 3 HA SER 3 -2.471 -24.018 -12.067
11 HB2 SER 3 1HB SER 3 -1.888 -23.709 -14.344
12 HB3 SER 3 2HB SER 3 -3.367 -24.487 -14.909
13 HG SER 3 HG SER 3 -4.515 -22.696 -13.980
14 H GLY 4 H GLY 4 -4.088 -22.736 -11.248
15 HA2 GLY 4 1HA GLY 4 -6.871 -23.460 -11.733
16 HA3 GLY 4 2HA GLY 4 -6.289 -23.661 -10.087
17 H SER 5 H SER 5 -6.548 -21.994 -8.763
18 HA SER 5 HA SER 5 -6.925 -19.325 -9.957
19 HB2 SER 5 1HB SER 5 -8.876 -20.596 -8.700
20 HB3 SER 5 2HB SER 5 -8.047 -19.989 -7.266
21 HG SER 5 HG SER 5 -9.237 -18.288 -7.696
22 H SER 6 H SER 6 -5.751 -17.656 -9.183
23 HA SER 6 HA SER 6 -4.243 -17.984 -6.702
24 HB2 SER 6 1HB SER 6 -3.058 -17.686 -9.436
25 HB3 SER 6 2HB SER 6 -2.240 -16.942 -8.061
26 HG SER 6 HG SER 6 -2.961 -19.450 -7.440
27 H GLY 7 H GLY 7 -5.011 -16.308 -5.573
28 HA2 GLY 7 1HA GLY 7 -4.514 -13.629 -6.562
29 HA3 GLY 7 2HA GLY 7 -6.211 -14.021 -6.329
30 H THR 8 H THR 8 -3.859 -12.383 -4.944
31 HA THR 8 HA THR 8 -4.781 -13.020 -2.220
32 HB THR 8 HB THR 8 -2.518 -13.816 -2.345
33 HG1 THR 8 HG1 THR 8 -3.300 -12.167 -0.600
34 HG21 THR 8 3HG2 THR 8 -2.141 -11.886 -4.261
35 HG22 THR 8 1HG2 THR 8 -0.867 -12.862 -3.531
36 HG23 THR 8 2HG2 THR 8 -1.221 -11.255 -2.896
37 H GLY 9 H GLY 9 -3.875 -10.615 -4.572
38 HA2 GLY 9 1HA GLY 9 -5.081 -8.564 -2.846
39 HA3 GLY 9 2HA GLY 9 -3.496 -8.266 -3.543
40 H GLU 10 H GLU 10 -6.887 -8.275 -4.076
41 HA GLU 10 HA GLU 10 -6.457 -7.476 -6.879
42 HB2 GLU 10 1HB GLU 10 -8.930 -8.070 -7.127
43 HB3 GLU 10 2HB GLU 10 -7.800 -9.404 -6.944
44 HG2 GLU 10 1HG GLU 10 -8.493 -9.869 -4.785
45 HG3 GLU 10 2HG GLU 10 -9.193 -8.267 -4.558
46 H LYS 11 H LYS 11 -5.986 -5.323 -6.057
47 HA LYS 11 HA LYS 11 -8.452 -3.830 -5.450
48 HB2 LYS 11 1HB LYS 11 -5.702 -3.542 -4.270
49 HB3 LYS 11 2HB LYS 11 -6.831 -2.194 -4.276
50 HG2 LYS 11 1HG LYS 11 -7.180 -3.135 -2.201
51 HG3 LYS 11 2HG LYS 11 -8.464 -3.865 -3.168
52 HD2 LYS 11 1HD LYS 11 -7.344 -5.919 -3.308
53 HD3 LYS 11 2HD LYS 11 -5.802 -5.211 -2.824
54 HE2 LYS 11 1HE LYS 11 -8.212 -5.367 -1.022
55 HE3 LYS 11 2HE LYS 11 -6.945 -6.593 -1.066
56 HZ1 LYS 11 3HZ LYS 11 -6.929 -4.448 0.543
57 HZ2 LYS 11 1HZ LYS 11 -5.990 -3.885 -0.747
58 HZ3 LYS 11 2HZ LYS 11 -5.542 -5.295 0.072
59 HA PRO 12 HA PRO 12 -7.584 -1.285 -8.919
60 HB2 PRO 12 1HB PRO 12 -8.532 1.115 -8.076
61 HB3 PRO 12 2HB PRO 12 -9.586 -0.236 -8.507
62 HG2 PRO 12 1HG PRO 12 -8.697 0.685 -5.801
63 HG3 PRO 12 2HG PRO 12 -10.306 0.163 -6.332
64 HD2 PRO 12 1HD PRO 12 -8.627 -1.459 -4.959
65 HD3 PRO 12 2HD PRO 12 -9.772 -2.074 -6.169
66 H PHE 13 H PHE 13 -6.057 -0.784 -5.933
67 HA PHE 13 HA PHE 13 -4.049 0.925 -7.224
68 HB2 PHE 13 1HB PHE 13 -5.118 1.307 -4.419
69 HB3 PHE 13 2HB PHE 13 -3.788 2.210 -5.136
70 HD1 PHE 13 HD1 PHE 13 -4.289 3.586 -7.228
71 HD2 PHE 13 HD2 PHE 13 -7.308 2.038 -4.658
72 HE1 PHE 13 HE1 PHE 13 -5.885 5.234 -8.117
73 HE2 PHE 13 HE2 PHE 13 -8.910 3.683 -5.544
74 HZ PHE 13 HZ PHE 13 -8.200 5.283 -7.276
75 H GLU 14 H GLU 14 -2.295 -0.313 -7.344
76 HA GLU 14 HA GLU 14 -1.442 -1.746 -4.922
77 HB2 GLU 14 1HB GLU 14 -2.322 -3.429 -6.405
78 HB3 GLU 14 2HB GLU 14 -1.407 -2.781 -7.759
79 HG2 GLU 14 1HG GLU 14 0.677 -3.338 -6.430
80 HG3 GLU 14 2HG GLU 14 -0.378 -4.258 -5.359
81 H CYS 15 H CYS 15 0.734 -1.730 -4.486
82 HA CYS 15 HA CYS 15 2.272 0.305 -5.847
83 HB2 CYS 15 1HB CYS 15 2.487 0.346 -3.492
84 HB3 CYS 15 2HB CYS 15 2.750 -1.393 -3.405
85 H ALA 16 H ALA 16 3.644 -0.054 -7.454
86 HA ALA 16 HA ALA 16 4.454 -2.813 -8.030
87 HB1 ALA 16 3HB ALA 16 3.416 -1.833 -9.904
88 HB2 ALA 16 1HB ALA 16 4.332 -0.336 -9.728
89 HB3 ALA 16 2HB ALA 16 5.144 -1.811 -10.254
90 H GLU 17 H GLU 17 5.750 -1.536 -5.891
91 HA GLU 17 HA GLU 17 8.462 -1.242 -7.000
92 HB2 GLU 17 1HB GLU 17 7.162 0.328 -4.777
93 HB3 GLU 17 2HB GLU 17 8.904 0.276 -5.008
94 HG2 GLU 17 1HG GLU 17 8.733 1.325 -7.135
95 HG3 GLU 17 2HG GLU 17 6.977 1.172 -7.133
96 H CYS 18 H CYS 18 6.694 -1.856 -3.964
97 HA CYS 18 HA CYS 18 8.817 -3.744 -3.201
98 HB2 CYS 18 1HB CYS 18 7.982 -3.482 -0.894
99 HB3 CYS 18 2HB CYS 18 8.475 -1.943 -1.593
100 H GLY 19 H GLY 19 5.282 -3.340 -3.200
101 HA2 GLY 19 1HA GLY 19 4.090 -5.302 -4.215
102 HA3 GLY 19 2HA GLY 19 5.054 -6.285 -3.123
103 H LYS 20 H LYS 20 3.057 -3.345 -2.812
104 HA LYS 20 HA LYS 20 1.496 -4.720 -0.740
105 HB2 LYS 20 1HB LYS 20 2.914 -2.081 -0.510
106 HB3 LYS 20 2HB LYS 20 1.475 -2.412 0.446
107 HG2 LYS 20 1HG LYS 20 2.517 -4.111 1.650
108 HG3 LYS 20 2HG LYS 20 3.808 -4.290 0.460
109 HD2 LYS 20 1HD LYS 20 4.746 -2.158 1.093
110 HD3 LYS 20 2HD LYS 20 3.394 -1.849 2.185
111 HE2 LYS 20 1HE LYS 20 5.290 -2.578 3.472
112 HE3 LYS 20 2HE LYS 20 4.059 -3.840 3.499
113 HZ1 LYS 20 3HZ LYS 20 6.606 -3.800 1.999
114 HZ2 LYS 20 1HZ LYS 20 5.347 -4.850 1.580
115 HZ3 LYS 20 2HZ LYS 20 6.058 -4.950 3.112
116 H SER 21 H SER 21 -0.595 -4.633 -1.196
117 HA SER 21 HA SER 21 -1.557 -2.709 -3.159
118 HB2 SER 21 1HB SER 21 -2.778 -5.170 -1.907
119 HB3 SER 21 2HB SER 21 -3.699 -4.081 -2.945
120 HG SER 21 HG SER 21 -2.569 -4.717 -4.650
121 H PHE 22 H PHE 22 -3.679 -1.650 -2.782
122 HA PHE 22 HA PHE 22 -4.323 -1.126 0.012
123 HB2 PHE 22 1HB PHE 22 -3.623 1.090 -1.925
124 HB3 PHE 22 2HB PHE 22 -4.209 1.307 -0.280
125 HD1 PHE 22 HD1 PHE 22 -1.373 0.172 -2.330
126 HD2 PHE 22 HD2 PHE 22 -2.755 1.098 1.588
127 HE1 PHE 22 HE1 PHE 22 0.944 0.124 -1.505
128 HE2 PHE 22 HE2 PHE 22 -0.440 1.053 2.419
129 HZ PHE 22 HZ PHE 22 1.414 0.566 0.872
130 H SER 23 H SER 23 -6.417 -0.378 0.349
131 HA SER 23 HA SER 23 -8.303 -1.078 -1.669
132 HB2 SER 23 1HB SER 23 -8.555 0.139 1.077
133 HB3 SER 23 2HB SER 23 -9.958 -0.091 0.034
134 HG SER 23 HG SER 23 -9.409 -1.847 1.557
135 H ILE 24 H ILE 24 -7.268 1.995 -0.234
136 HA ILE 24 HA ILE 24 -8.641 3.395 -2.435
137 HB ILE 24 HB ILE 24 -8.402 5.422 -0.846
138 HG12 ILE 24 1HG1 ILE 24 -8.242 3.159 1.156
139 HG13 ILE 24 2HG1 ILE 24 -6.923 4.258 0.769
140 HG21 ILE 24 1HG2 ILE 24 -10.380 3.609 0.345
141 HG22 ILE 24 2HG2 ILE 24 -10.596 5.180 -0.424
142 HG23 ILE 24 3HG2 ILE 24 -10.442 3.729 -1.413
143 HD11 ILE 24 3HD1 ILE 24 -7.775 5.922 2.011
144 HD12 ILE 24 1HD1 ILE 24 -9.443 5.531 1.592
145 HD13 ILE 24 2HD1 ILE 24 -8.602 4.598 2.831
146 H SER 25 H SER 25 -7.582 5.171 -3.412
147 HA SER 25 HA SER 25 -4.891 4.799 -4.002
148 HB2 SER 25 1HB SER 25 -6.542 6.108 -5.370
149 HB3 SER 25 2HB SER 25 -6.382 7.424 -4.207
150 HG SER 25 HG SER 25 -4.034 6.382 -5.280
151 H SER 26 H SER 26 -6.287 7.449 -2.059
152 HA SER 26 HA SER 26 -4.140 8.771 -1.179
153 HB2 SER 26 1HB SER 26 -6.459 7.830 0.520
154 HB3 SER 26 2HB SER 26 -5.296 9.050 1.037
155 HG SER 26 HG SER 26 -7.376 9.237 -0.760
156 H GLN 27 H GLN 27 -5.269 5.753 0.341
157 HA GLN 27 HA GLN 27 -3.370 5.450 2.293
158 HB2 GLN 27 1HB GLN 27 -4.905 3.508 0.622
159 HB3 GLN 27 2HB GLN 27 -3.631 2.897 1.669
160 HG2 GLN 27 1HG GLN 27 -4.711 3.814 3.608
161 HG3 GLN 27 2HG GLN 27 -5.929 4.598 2.603
162 HE21 GLN 27 1HE2 GLN 27 -7.239 3.316 4.229
163 HE22 GLN 27 2HE2 GLN 27 -7.706 1.723 3.754
164 H LEU 28 H LEU 28 -3.107 4.473 -1.110
165 HA LEU 28 HA LEU 28 -0.548 3.325 -0.933
166 HB2 LEU 28 1HB LEU 28 -1.801 2.816 -2.845
167 HB3 LEU 28 2HB LEU 28 -2.128 4.513 -3.188
168 HG LEU 28 HG LEU 28 0.301 4.773 -3.754
169 HD11 LEU 28 1HD1 LEU 28 1.368 2.992 -2.684
170 HD12 LEU 28 2HD1 LEU 28 1.401 2.554 -4.391
171 HD13 LEU 28 3HD1 LEU 28 0.223 1.807 -3.313
172 HD21 LEU 28 3HD2 LEU 28 -0.619 2.694 -5.609
173 HD22 LEU 28 1HD2 LEU 28 -0.187 4.378 -5.909
174 HD23 LEU 28 2HD2 LEU 28 -1.790 3.975 -5.291
175 H ALA 29 H ALA 29 -1.567 6.605 -1.845
176 HA ALA 29 HA ALA 29 0.882 7.702 -2.484
177 HB1 ALA 29 3HB ALA 29 -1.482 8.978 -1.122
178 HB2 ALA 29 1HB ALA 29 -0.100 9.877 -1.748
179 HB3 ALA 29 2HB ALA 29 -1.121 8.950 -2.848
180 H THR 30 H THR 30 -0.673 7.700 0.726
181 HA THR 30 HA THR 30 1.303 8.961 2.175
182 HB THR 30 HB THR 30 -0.305 6.620 3.206
183 HG1 THR 30 HG1 THR 30 -1.703 8.529 3.868
184 HG21 THR 30 3HG2 THR 30 -0.058 8.716 5.082
185 HG22 THR 30 1HG2 THR 30 1.549 8.436 4.413
186 HG23 THR 30 2HG2 THR 30 0.658 7.107 5.155
187 H HIS 31 H HIS 31 1.358 5.826 0.754
188 HA HIS 31 HA HIS 31 3.601 4.931 2.384
189 HB2 HIS 31 1HB HIS 31 2.193 3.131 1.970
190 HB3 HIS 31 2HB HIS 31 1.840 3.652 0.325
191 HD1 HIS 31 HD1 HIS 31 4.417 1.826 2.351
192 HD2 HIS 31 HD2 HIS 31 3.588 2.715 -1.622
193 HE1 HIS 31 HE1 HIS 31 5.980 0.391 1.001
194 H GLN 32 H GLN 32 2.936 5.336 -1.099
195 HA GLN 32 HA GLN 32 5.359 4.909 -2.199
196 HB2 GLN 32 1HB GLN 32 3.328 7.038 -2.820
197 HB3 GLN 32 2HB GLN 32 4.792 6.866 -3.780
198 HG2 GLN 32 1HG GLN 32 4.181 4.664 -4.453
199 HG3 GLN 32 2HG GLN 32 2.830 4.635 -3.321
200 HE21 GLN 32 1HE2 GLN 32 2.242 4.010 -5.816
201 HE22 GLN 32 2HE2 GLN 32 1.411 5.294 -6.621
202 H ARG 33 H ARG 33 4.537 7.496 -0.057
203 HA ARG 33 HA ARG 33 6.452 9.403 -0.619
204 HB2 ARG 33 1HB ARG 33 5.767 8.620 2.205
205 HB3 ARG 33 2HB ARG 33 6.143 10.217 1.574
206 HG2 ARG 33 1HG ARG 33 3.967 9.754 0.136
207 HG3 ARG 33 2HG ARG 33 3.603 8.695 1.501
208 HD2 ARG 33 1HD ARG 33 4.538 11.470 2.045
209 HD3 ARG 33 2HD ARG 33 2.879 11.228 1.500
210 HE ARG 33 HE ARG 33 3.034 9.475 3.504
211 HH11 ARG 33 1HH1 ARG 33 4.025 12.805 3.296
212 HH12 ARG 33 2HH1 ARG 33 3.761 13.125 4.978
213 HH21 ARG 33 1HH2 ARG 33 2.682 9.883 5.720
214 HH22 ARG 33 2HH2 ARG 33 2.998 11.461 6.357
215 H ILE 34 H ILE 34 6.776 6.493 1.385
216 HA ILE 34 HA ILE 34 9.471 6.971 2.128
217 HB ILE 34 HB ILE 34 9.515 4.697 2.926
218 HG12 ILE 34 1HG1 ILE 34 6.781 4.118 1.877
219 HG13 ILE 34 2HG1 ILE 34 8.143 3.966 0.773
220 HG21 ILE 34 1HG2 ILE 34 8.396 5.663 4.604
221 HG22 ILE 34 2HG2 ILE 34 7.297 6.500 3.508
222 HG23 ILE 34 3HG2 ILE 34 6.982 4.826 3.963
223 HD11 ILE 34 3HD1 ILE 34 7.907 1.831 1.611
224 HD12 ILE 34 1HD1 ILE 34 9.179 2.505 2.629
225 HD13 ILE 34 2HD1 ILE 34 7.526 2.399 3.236
226 H HIS 35 H HIS 35 7.999 5.735 -0.722
227 HA HIS 35 HA HIS 35 10.285 4.270 -1.659
228 HB2 HIS 35 1HB HIS 35 7.607 4.988 -2.737
229 HB3 HIS 35 2HB HIS 35 8.870 4.605 -3.903
230 HD1 HIS 35 HD1 HIS 35 10.240 2.233 -2.875
231 HD2 HIS 35 HD2 HIS 35 6.156 2.760 -2.322
232 HE1 HIS 35 HE1 HIS 35 9.315 -0.069 -2.464
233 H THR 36 H THR 36 8.941 7.487 -2.153
234 HA THR 36 HA THR 36 10.148 8.528 -4.283
235 HB THR 36 HB THR 36 8.883 9.856 -2.593
236 HG1 THR 36 HG1 THR 36 10.436 10.723 -4.303
237 HG21 THR 36 3HG2 THR 36 11.383 10.524 -1.156
238 HG22 THR 36 1HG2 THR 36 10.641 8.972 -0.770
239 HG23 THR 36 2HG2 THR 36 9.721 10.463 -0.570
240 H GLY 37 H GLY 37 12.127 8.732 -5.118
241 HA2 GLY 37 1HA GLY 37 14.466 9.360 -3.759
242 HA3 GLY 37 2HA GLY 37 14.388 7.605 -3.823
243 H GLU 38 H GLU 38 14.530 10.539 -5.760
244 HA GLU 38 HA GLU 38 14.495 9.738 -8.314
245 HB2 GLU 38 1HB GLU 38 16.665 11.470 -7.117
246 HB3 GLU 38 2HB GLU 38 16.245 11.396 -8.823
247 HG2 GLU 38 1HG GLU 38 14.293 12.559 -8.538
248 HG3 GLU 38 2HG GLU 38 14.126 12.080 -6.850
249 H LYS 39 H LYS 39 15.644 8.517 -9.717
250 HA LYS 39 HA LYS 39 18.262 7.495 -8.963
251 HB2 LYS 39 1HB LYS 39 16.660 5.868 -8.023
252 HB3 LYS 39 2HB LYS 39 15.955 5.653 -9.619
253 HG2 LYS 39 1HG LYS 39 17.353 3.846 -9.507
254 HG3 LYS 39 2HG LYS 39 18.401 5.029 -10.293
255 HD2 LYS 39 1HD LYS 39 19.249 5.612 -7.977
256 HD3 LYS 39 2HD LYS 39 18.401 4.173 -7.407
257 HE2 LYS 39 1HE LYS 39 20.340 4.029 -9.689
258 HE3 LYS 39 2HE LYS 39 20.899 3.979 -8.018
259 HZ1 LYS 39 3HZ LYS 39 20.440 1.776 -9.164
260 HZ2 LYS 39 1HZ LYS 39 18.797 2.148 -9.001
261 HZ3 LYS 39 2HZ LYS 39 19.769 1.993 -7.626
262 HA PRO 40 HA PRO 40 18.901 8.131 -13.284
263 HB2 PRO 40 1HB PRO 40 21.250 6.790 -13.522
264 HB3 PRO 40 2HB PRO 40 21.123 8.378 -12.756
265 HG2 PRO 40 1HG PRO 40 21.259 5.669 -11.489
266 HG3 PRO 40 2HG PRO 40 22.086 7.166 -11.021
267 HD2 PRO 40 1HD PRO 40 19.863 6.274 -9.759
268 HD3 PRO 40 2HD PRO 40 20.230 8.002 -9.939
269 H SER 41 H SER 41 17.257 6.949 -14.258
270 HA SER 41 HA SER 41 16.952 4.195 -14.312
271 HB2 SER 41 1HB SER 41 16.273 6.117 -16.551
272 HB3 SER 41 2HB SER 41 15.567 4.522 -16.292
273 HG SER 41 HG SER 41 15.129 5.634 -14.063
274 H GLY 42 H GLY 42 18.868 6.279 -16.436
275 HA2 GLY 42 1HA GLY 42 21.027 4.975 -17.018
276 HA3 GLY 42 2HA GLY 42 19.894 3.890 -17.811
277 HA PRO 43 HA PRO 43 21.283 6.913 -20.994
278 HB2 PRO 43 1HB PRO 43 21.429 5.075 -22.987
279 HB3 PRO 43 2HB PRO 43 22.753 5.370 -21.853
280 HG2 PRO 43 1HG PRO 43 20.689 3.201 -21.834
281 HG3 PRO 43 2HG PRO 43 22.430 3.091 -21.518
282 HD2 PRO 43 1HD PRO 43 20.590 3.148 -19.533
283 HD3 PRO 43 2HD PRO 43 22.211 3.846 -19.351
284 H SER 44 H SER 44 20.370 6.820 -23.456
285 HA SER 44 HA SER 44 18.556 7.332 -24.735
286 HB2 SER 44 1HB SER 44 17.570 4.873 -23.286
287 HB3 SER 44 2HB SER 44 16.639 5.662 -24.560
288 HG SER 44 HG SER 44 19.265 4.610 -24.813
289 H SER 45 H SER 45 18.766 8.962 -22.557
290 HA SER 45 HA SER 45 16.025 9.207 -21.521
291 HB2 SER 45 1HB SER 45 18.598 10.439 -20.505
292 HB3 SER 45 2HB SER 45 17.005 10.671 -19.784
293 HG SER 45 HG SER 45 17.018 8.255 -19.664
294 H GLY 46 H GLY 46 15.016 10.281 -23.186
295 HA2 GLY 46 1HA GLY 46 15.920 12.265 -24.824
296 HA3 GLY 46 2HA GLY 46 14.264 12.189 -24.241
Start of MODEL 12
1 H1 GLY 1 H GLY 1 9.053 -26.244 -15.017
2 HA2 GLY 1 1HA GLY 1 6.410 -25.309 -15.698
3 HA3 GLY 1 2HA GLY 1 6.988 -26.966 -15.787
4 H SER 2 H SER 2 4.451 -26.366 -14.863
5 HA SER 2 HA SER 2 3.045 -26.464 -13.042
6 HB2 SER 2 1HB SER 2 3.381 -28.538 -11.740
7 HB3 SER 2 2HB SER 2 3.582 -28.812 -13.471
8 HG SER 2 HG SER 2 5.731 -28.327 -11.685
9 H SER 3 H SER 3 4.897 -24.442 -12.634
10 HA SER 3 HA SER 3 6.162 -24.693 -10.078
11 HB2 SER 3 1HB SER 3 5.711 -22.431 -12.002
12 HB3 SER 3 2HB SER 3 6.303 -22.103 -10.373
13 HG SER 3 HG SER 3 8.017 -23.600 -10.829
14 H GLY 4 H GLY 4 3.252 -23.040 -11.273
15 HA2 GLY 4 1HA GLY 4 1.380 -22.290 -10.177
16 HA3 GLY 4 2HA GLY 4 1.753 -23.489 -8.948
17 H SER 5 H SER 5 0.592 -21.166 -8.177
18 HA SER 5 HA SER 5 2.457 -20.162 -6.284
19 HB2 SER 5 1HB SER 5 2.503 -17.814 -7.022
20 HB3 SER 5 2HB SER 5 3.242 -18.873 -8.223
21 HG SER 5 HG SER 5 1.466 -17.158 -8.759
22 H SER 6 H SER 6 1.468 -18.328 -4.989
23 HA SER 6 HA SER 6 -1.441 -18.753 -4.827
24 HB2 SER 6 1HB SER 6 0.012 -19.497 -2.877
25 HB3 SER 6 2HB SER 6 0.343 -17.790 -2.587
26 HG SER 6 HG SER 6 -1.455 -17.803 -1.515
27 H GLY 7 H GLY 7 -2.552 -17.107 -5.643
28 HA2 GLY 7 1HA GLY 7 -1.486 -14.379 -5.255
29 HA3 GLY 7 2HA GLY 7 -2.451 -14.867 -6.640
30 H THR 8 H THR 8 -2.565 -13.151 -3.877
31 HA THR 8 HA THR 8 -5.481 -13.462 -3.687
32 HB THR 8 HB THR 8 -4.488 -14.633 -1.763
33 HG1 THR 8 HG1 THR 8 -5.567 -13.219 -0.128
34 HG21 THR 8 3HG2 THR 8 -2.889 -12.187 -1.632
35 HG22 THR 8 1HG2 THR 8 -2.549 -13.797 -0.998
36 HG23 THR 8 2HG2 THR 8 -3.558 -12.680 -0.077
37 H GLY 9 H GLY 9 -4.224 -11.531 -5.216
38 HA2 GLY 9 1HA GLY 9 -4.765 -9.096 -3.631
39 HA3 GLY 9 2HA GLY 9 -3.437 -9.178 -4.779
40 H GLU 10 H GLU 10 -6.731 -8.483 -4.334
41 HA GLU 10 HA GLU 10 -7.024 -8.037 -7.227
42 HB2 GLU 10 1HB GLU 10 -8.333 -10.036 -6.327
43 HB3 GLU 10 2HB GLU 10 -9.313 -8.867 -5.451
44 HG2 GLU 10 1HG GLU 10 -9.875 -7.789 -7.604
45 HG3 GLU 10 2HG GLU 10 -8.984 -9.063 -8.435
46 H LYS 11 H LYS 11 -6.094 -6.072 -5.592
47 HA LYS 11 HA LYS 11 -8.401 -4.365 -4.980
48 HB2 LYS 11 1HB LYS 11 -5.498 -4.234 -4.173
49 HB3 LYS 11 2HB LYS 11 -6.613 -2.902 -3.900
50 HG2 LYS 11 1HG LYS 11 -8.066 -4.677 -2.705
51 HG3 LYS 11 2HG LYS 11 -6.572 -5.616 -2.650
52 HD2 LYS 11 1HD LYS 11 -5.494 -3.549 -1.630
53 HD3 LYS 11 2HD LYS 11 -7.133 -2.926 -1.424
54 HE2 LYS 11 1HE LYS 11 -7.718 -4.837 -0.055
55 HE3 LYS 11 2HE LYS 11 -6.129 -5.550 -0.326
56 HZ1 LYS 11 3HZ LYS 11 -5.667 -3.011 0.651
57 HZ2 LYS 11 1HZ LYS 11 -5.455 -4.475 1.473
58 HZ3 LYS 11 2HZ LYS 11 -6.917 -3.635 1.607
59 HA PRO 12 HA PRO 12 -7.765 -1.753 -8.451
60 HB2 PRO 12 1HB PRO 12 -8.477 0.661 -7.432
61 HB3 PRO 12 2HB PRO 12 -9.648 -0.614 -7.789
62 HG2 PRO 12 1HG PRO 12 -8.422 0.153 -5.168
63 HG3 PRO 12 2HG PRO 12 -10.106 -0.261 -5.537
64 HD2 PRO 12 1HD PRO 12 -8.387 -2.022 -4.409
65 HD3 PRO 12 2HD PRO 12 -9.688 -2.527 -5.506
66 H PHE 13 H PHE 13 -6.090 -1.115 -5.478
67 HA PHE 13 HA PHE 13 -4.085 0.448 -6.968
68 HB2 PHE 13 1HB PHE 13 -5.008 0.734 -4.108
69 HB3 PHE 13 2HB PHE 13 -3.519 1.459 -4.705
70 HD1 PHE 13 HD1 PHE 13 -3.686 3.085 -6.652
71 HD2 PHE 13 HD2 PHE 13 -7.052 1.814 -4.378
72 HE1 PHE 13 HE1 PHE 13 -4.953 5.041 -7.441
73 HE2 PHE 13 HE2 PHE 13 -8.325 3.767 -5.165
74 HZ PHE 13 HZ PHE 13 -7.276 5.384 -6.699
75 H GLU 14 H GLU 14 -2.159 -0.479 -7.129
76 HA GLU 14 HA GLU 14 -1.215 -2.237 -4.990
77 HB2 GLU 14 1HB GLU 14 -2.346 -3.513 -6.948
78 HB3 GLU 14 2HB GLU 14 -0.895 -3.098 -7.849
79 HG2 GLU 14 1HG GLU 14 -0.711 -4.446 -5.186
80 HG3 GLU 14 2HG GLU 14 -1.015 -5.371 -6.655
81 H CYS 15 H CYS 15 0.730 -1.572 -4.396
82 HA CYS 15 HA CYS 15 2.240 0.304 -5.897
83 HB2 CYS 15 1HB CYS 15 2.453 0.414 -3.539
84 HB3 CYS 15 2HB CYS 15 2.824 -1.303 -3.415
85 H ALA 16 H ALA 16 4.218 0.069 -6.948
86 HA ALA 16 HA ALA 16 4.768 -2.663 -7.887
87 HB1 ALA 16 3HB ALA 16 5.008 0.022 -9.142
88 HB2 ALA 16 1HB ALA 16 6.120 -1.249 -9.653
89 HB3 ALA 16 2HB ALA 16 4.378 -1.486 -9.806
90 H GLU 17 H GLU 17 6.140 0.076 -6.250
91 HA GLU 17 HA GLU 17 8.858 -0.394 -6.524
92 HB2 GLU 17 1HB GLU 17 7.354 0.632 -4.111
93 HB3 GLU 17 2HB GLU 17 9.096 0.739 -4.322
94 HG2 GLU 17 1HG GLU 17 7.213 1.911 -6.333
95 HG3 GLU 17 2HG GLU 17 7.669 2.791 -4.875
96 H CYS 18 H CYS 18 6.755 -1.538 -3.878
97 HA CYS 18 HA CYS 18 8.746 -3.625 -3.304
98 HB2 CYS 18 1HB CYS 18 7.618 -3.809 -1.097
99 HB3 CYS 18 2HB CYS 18 8.286 -2.207 -1.396
100 H GLY 19 H GLY 19 5.249 -3.089 -3.644
101 HA2 GLY 19 1HA GLY 19 4.117 -4.743 -5.122
102 HA3 GLY 19 2HA GLY 19 4.974 -5.977 -4.211
103 H LYS 20 H LYS 20 3.515 -3.124 -2.780
104 HA LYS 20 HA LYS 20 1.799 -4.869 -1.183
105 HB2 LYS 20 1HB LYS 20 2.804 -2.063 -0.883
106 HB3 LYS 20 2HB LYS 20 1.366 -2.568 -0.005
107 HG2 LYS 20 1HG LYS 20 2.652 -4.385 1.028
108 HG3 LYS 20 2HG LYS 20 4.094 -3.834 0.171
109 HD2 LYS 20 1HD LYS 20 4.256 -2.910 2.333
110 HD3 LYS 20 2HD LYS 20 3.719 -1.586 1.297
111 HE2 LYS 20 1HE LYS 20 1.334 -2.430 2.019
112 HE3 LYS 20 2HE LYS 20 2.224 -3.102 3.384
113 HZ1 LYS 20 3HZ LYS 20 2.347 -1.105 4.305
114 HZ2 LYS 20 1HZ LYS 20 1.333 -0.507 3.090
115 HZ3 LYS 20 2HZ LYS 20 3.012 -0.424 2.907
116 H SER 21 H SER 21 -0.375 -3.723 -0.559
117 HA SER 21 HA SER 21 -1.602 -2.533 -2.946
118 HB2 SER 21 1HB SER 21 -3.563 -3.996 -2.704
119 HB3 SER 21 2HB SER 21 -2.102 -4.941 -2.991
120 HG SER 21 HG SER 21 -2.222 -5.750 -1.031
121 H PHE 22 H PHE 22 -3.815 -1.647 -2.446
122 HA PHE 22 HA PHE 22 -4.301 -0.959 0.326
123 HB2 PHE 22 1HB PHE 22 -3.670 1.165 -1.733
124 HB3 PHE 22 2HB PHE 22 -4.313 1.481 -0.125
125 HD1 PHE 22 HD1 PHE 22 -1.390 0.240 -1.992
126 HD2 PHE 22 HD2 PHE 22 -2.909 1.491 1.782
127 HE1 PHE 22 HE1 PHE 22 0.902 0.316 -1.098
128 HE2 PHE 22 HE2 PHE 22 -0.621 1.569 2.682
129 HZ PHE 22 HZ PHE 22 1.289 0.982 1.241
130 H SER 23 H SER 23 -6.279 0.544 0.457
131 HA SER 23 HA SER 23 -8.342 -0.645 -1.184
132 HB2 SER 23 1HB SER 23 -8.813 -0.419 1.170
133 HB3 SER 23 2HB SER 23 -8.454 1.307 1.125
134 HG SER 23 HG SER 23 -10.255 1.471 -0.377
135 H ILE 24 H ILE 24 -6.982 2.574 -0.627
136 HA ILE 24 HA ILE 24 -8.064 3.413 -3.214
137 HB ILE 24 HB ILE 24 -8.560 5.688 -2.139
138 HG12 ILE 24 1HG1 ILE 24 -9.441 5.073 0.328
139 HG13 ILE 24 2HG1 ILE 24 -8.064 3.980 0.238
140 HG21 ILE 24 1HG2 ILE 24 -10.162 3.208 -2.043
141 HG22 ILE 24 2HG2 ILE 24 -10.781 4.585 -1.133
142 HG23 ILE 24 3HG2 ILE 24 -10.481 4.735 -2.864
143 HD11 ILE 24 3HD1 ILE 24 -6.821 5.685 0.907
144 HD12 ILE 24 1HD1 ILE 24 -7.077 6.395 -0.686
145 HD13 ILE 24 2HD1 ILE 24 -8.136 6.833 0.655
146 H SER 25 H SER 25 -7.130 5.629 -3.818
147 HA SER 25 HA SER 25 -4.344 5.442 -3.927
148 HB2 SER 25 1HB SER 25 -4.483 7.862 -4.719
149 HB3 SER 25 2HB SER 25 -5.435 6.691 -5.631
150 HG SER 25 HG SER 25 -6.371 8.846 -4.714
151 H SER 26 H SER 26 -6.218 7.969 -2.242
152 HA SER 26 HA SER 26 -4.385 9.330 -0.888
153 HB2 SER 26 1HB SER 26 -7.076 8.350 -0.088
154 HB3 SER 26 2HB SER 26 -6.065 9.035 1.185
155 HG SER 26 HG SER 26 -6.660 10.897 0.439
156 H GLN 27 H GLN 27 -5.296 6.015 -0.152
157 HA GLN 27 HA GLN 27 -3.626 5.873 2.191
158 HB2 GLN 27 1HB GLN 27 -5.452 4.043 0.740
159 HB3 GLN 27 2HB GLN 27 -4.155 3.290 1.657
160 HG2 GLN 27 1HG GLN 27 -4.901 4.498 3.664
161 HG3 GLN 27 2HG GLN 27 -6.233 5.182 2.733
162 HE21 GLN 27 1HE2 GLN 27 -6.085 3.336 5.094
163 HE22 GLN 27 2HE2 GLN 27 -7.079 1.993 4.656
164 H LEU 28 H LEU 28 -3.501 4.592 -1.118
165 HA LEU 28 HA LEU 28 -1.103 3.177 -0.887
166 HB2 LEU 28 1HB LEU 28 -2.383 2.759 -2.796
167 HB3 LEU 28 2HB LEU 28 -2.515 4.471 -3.192
168 HG LEU 28 HG LEU 28 -0.101 4.459 -3.790
169 HD11 LEU 28 1HD1 LEU 28 0.831 2.129 -4.257
170 HD12 LEU 28 2HD1 LEU 28 -0.411 1.544 -3.150
171 HD13 LEU 28 3HD1 LEU 28 0.814 2.678 -2.580
172 HD21 LEU 28 3HD2 LEU 28 -1.945 2.570 -5.243
173 HD22 LEU 28 1HD2 LEU 28 -0.406 3.138 -5.889
174 HD23 LEU 28 2HD2 LEU 28 -1.700 4.289 -5.555
175 H ALA 29 H ALA 29 -1.706 6.557 -1.743
176 HA ALA 29 HA ALA 29 0.891 7.292 -2.442
177 HB1 ALA 29 3HB ALA 29 -0.014 9.582 -1.374
178 HB2 ALA 29 1HB ALA 29 -0.508 8.988 -2.960
179 HB3 ALA 29 2HB ALA 29 -1.538 8.713 -1.555
180 H THR 30 H THR 30 -0.717 7.559 0.728
181 HA THR 30 HA THR 30 1.323 8.647 2.209
182 HB THR 30 HB THR 30 -0.456 6.435 3.241
183 HG1 THR 30 HG1 THR 30 -1.736 8.470 3.829
184 HG21 THR 30 3HG2 THR 30 0.339 6.968 5.254
185 HG22 THR 30 1HG2 THR 30 -0.034 8.672 4.998
186 HG23 THR 30 2HG2 THR 30 1.515 8.018 4.465
187 H HIS 31 H HIS 31 1.229 5.561 0.734
188 HA HIS 31 HA HIS 31 3.317 4.463 2.446
189 HB2 HIS 31 1HB HIS 31 1.751 2.812 1.900
190 HB3 HIS 31 2HB HIS 31 1.620 3.353 0.230
191 HD1 HIS 31 HD1 HIS 31 3.917 1.429 2.516
192 HD2 HIS 31 HD2 HIS 31 3.360 2.153 -1.537
193 HE1 HIS 31 HE1 HIS 31 5.455 -0.169 1.330
194 H GLN 32 H GLN 32 2.896 4.705 -1.090
195 HA GLN 32 HA GLN 32 5.439 4.269 -1.920
196 HB2 GLN 32 1HB GLN 32 3.388 6.209 -2.968
197 HB3 GLN 32 2HB GLN 32 4.929 5.960 -3.779
198 HG2 GLN 32 1HG GLN 32 3.229 3.602 -3.133
199 HG3 GLN 32 2HG GLN 32 2.804 4.629 -4.502
200 HE21 GLN 32 1HE2 GLN 32 3.260 2.301 -5.353
201 HE22 GLN 32 2HE2 GLN 32 4.851 2.065 -5.984
202 H ARG 33 H ARG 33 4.299 7.005 -0.152
203 HA ARG 33 HA ARG 33 6.051 9.014 -0.749
204 HB2 ARG 33 1HB ARG 33 5.639 9.911 1.392
205 HB3 ARG 33 2HB ARG 33 4.194 8.990 0.996
206 HG2 ARG 33 1HG ARG 33 4.889 7.184 2.417
207 HG3 ARG 33 2HG ARG 33 6.442 7.968 2.716
208 HD2 ARG 33 1HD ARG 33 4.929 9.940 3.551
209 HD3 ARG 33 2HD ARG 33 3.728 8.663 3.741
210 HE ARG 33 HE ARG 33 4.913 7.854 5.531
211 HH11 ARG 33 1HH1 ARG 33 6.875 10.134 3.777
212 HH12 ARG 33 2HH1 ARG 33 8.122 10.183 4.978
213 HH21 ARG 33 1HH2 ARG 33 6.549 7.910 7.120
214 HH22 ARG 33 2HH2 ARG 33 7.937 8.917 6.879
215 H ILE 34 H ILE 34 6.687 6.091 1.088
216 HA ILE 34 HA ILE 34 9.271 6.891 2.005
217 HB ILE 34 HB ILE 34 9.564 4.624 2.741
218 HG12 ILE 34 1HG1 ILE 34 7.006 3.817 1.376
219 HG13 ILE 34 2HG1 ILE 34 8.555 3.696 0.549
220 HG21 ILE 34 1HG2 ILE 34 7.291 6.207 3.386
221 HG22 ILE 34 2HG2 ILE 34 6.832 4.507 3.475
222 HG23 ILE 34 3HG2 ILE 34 8.197 5.103 4.421
223 HD11 ILE 34 3HD1 ILE 34 9.325 2.041 1.970
224 HD12 ILE 34 1HD1 ILE 34 8.164 2.445 3.233
225 HD13 ILE 34 2HD1 ILE 34 7.622 1.633 1.764
226 H HIS 35 H HIS 35 8.036 5.371 -0.872
227 HA HIS 35 HA HIS 35 10.578 4.397 -1.784
228 HB2 HIS 35 1HB HIS 35 7.931 4.764 -3.196
229 HB3 HIS 35 2HB HIS 35 9.349 4.033 -3.942
230 HD1 HIS 35 HD1 HIS 35 10.300 2.153 -1.771
231 HD2 HIS 35 HD2 HIS 35 6.292 2.658 -2.741
232 HE1 HIS 35 HE1 HIS 35 9.150 0.057 -0.990
233 H THR 36 H THR 36 8.722 7.328 -2.135
234 HA THR 36 HA THR 36 10.555 8.356 -4.167
235 HB THR 36 HB THR 36 8.996 10.393 -4.039
236 HG1 THR 36 HG1 THR 36 8.067 9.288 -1.969
237 HG21 THR 36 3HG2 THR 36 7.366 9.365 -5.506
238 HG22 THR 36 1HG2 THR 36 7.800 7.762 -4.915
239 HG23 THR 36 2HG2 THR 36 8.964 8.702 -5.848
240 H GLY 37 H GLY 37 10.007 8.481 -0.788
241 HA2 GLY 37 1HA GLY 37 10.995 11.042 -0.175
242 HA3 GLY 37 2HA GLY 37 11.008 9.658 0.908
243 H GLU 38 H GLU 38 12.844 8.331 1.011
244 HA GLU 38 HA GLU 38 15.281 9.657 0.071
245 HB2 GLU 38 1HB GLU 38 14.753 8.878 2.541
246 HB3 GLU 38 2HB GLU 38 15.330 7.330 1.942
247 HG2 GLU 38 1HG GLU 38 17.072 8.684 3.053
248 HG3 GLU 38 2HG GLU 38 17.459 8.258 1.387
249 H LYS 39 H LYS 39 15.312 8.945 -2.068
250 HA LYS 39 HA LYS 39 16.567 6.431 -2.496
251 HB2 LYS 39 1HB LYS 39 14.012 5.949 -2.262
252 HB3 LYS 39 2HB LYS 39 13.913 6.629 -3.881
253 HG2 LYS 39 1HG LYS 39 15.387 4.941 -4.741
254 HG3 LYS 39 2HG LYS 39 15.683 4.317 -3.116
255 HD2 LYS 39 1HD LYS 39 13.581 3.367 -2.957
256 HD3 LYS 39 2HD LYS 39 12.888 4.449 -4.168
257 HE2 LYS 39 1HE LYS 39 13.648 3.193 -5.920
258 HE3 LYS 39 2HE LYS 39 15.041 2.588 -5.024
259 HZ1 LYS 39 3HZ LYS 39 13.907 0.744 -4.635
260 HZ2 LYS 39 1HZ LYS 39 12.540 1.362 -5.417
261 HZ3 LYS 39 2HZ LYS 39 12.758 1.624 -3.760
262 HA PRO 40 HA PRO 40 18.047 8.811 -5.900
263 HB2 PRO 40 1HB PRO 40 19.241 6.812 -7.296
264 HB3 PRO 40 2HB PRO 40 19.921 7.485 -5.810
265 HG2 PRO 40 1HG PRO 40 18.328 4.980 -6.199
266 HG3 PRO 40 2HG PRO 40 19.776 5.243 -5.210
267 HD2 PRO 40 1HD PRO 40 17.283 5.182 -4.155
268 HD3 PRO 40 2HD PRO 40 18.579 6.193 -3.484
269 H SER 41 H SER 41 16.703 9.582 -7.401
270 HA SER 41 HA SER 41 14.522 8.422 -8.537
271 HB2 SER 41 1HB SER 41 14.597 10.105 -10.243
272 HB3 SER 41 2HB SER 41 15.267 10.824 -8.779
273 HG SER 41 HG SER 41 17.150 10.988 -9.718
274 H GLY 42 H GLY 42 14.047 7.318 -10.456
275 HA2 GLY 42 1HA GLY 42 14.399 5.863 -12.204
276 HA3 GLY 42 2HA GLY 42 16.041 6.482 -12.305
277 HA PRO 43 HA PRO 43 16.058 2.838 -9.099
278 HB2 PRO 43 1HB PRO 43 13.875 1.224 -9.151
279 HB3 PRO 43 2HB PRO 43 14.006 2.629 -8.086
280 HG2 PRO 43 1HG PRO 43 12.591 2.368 -10.711
281 HG3 PRO 43 2HG PRO 43 12.048 3.163 -9.222
282 HD2 PRO 43 1HD PRO 43 13.063 4.539 -11.321
283 HD3 PRO 43 2HD PRO 43 13.280 5.065 -9.640
284 H SER 44 H SER 44 14.218 2.254 -12.084
285 HA SER 44 HA SER 44 16.309 0.476 -13.026
286 HB2 SER 44 1HB SER 44 14.791 -1.380 -13.507
287 HB3 SER 44 2HB SER 44 14.789 -1.026 -11.780
288 HG SER 44 HG SER 44 12.674 -1.332 -12.795
289 H SER 45 H SER 45 16.291 0.163 -15.276
290 HA SER 45 HA SER 45 15.539 2.291 -16.844
291 HB2 SER 45 1HB SER 45 15.884 -0.594 -17.698
292 HB3 SER 45 2HB SER 45 15.868 0.790 -18.792
293 HG SER 45 HG SER 45 17.654 0.757 -16.627
294 H GLY 46 H GLY 46 13.876 -0.870 -16.750
295 HA2 GLY 46 1HA GLY 46 11.353 -0.481 -16.371
296 HA3 GLY 46 2HA GLY 46 11.488 0.452 -17.854
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.297 -15.306 -3.748
2 HA2 GLY 1 1HA GLY 1 2.009 -13.905 -4.896
3 HA3 GLY 1 2HA GLY 1 1.758 -12.740 -3.605
4 H SER 2 H SER 2 2.490 -13.251 -1.483
5 HA SER 2 HA SER 2 4.996 -14.562 -1.444
6 HB2 SER 2 1HB SER 2 3.227 -13.553 0.791
7 HB3 SER 2 2HB SER 2 4.849 -14.195 1.047
8 HG SER 2 HG SER 2 5.122 -12.448 -0.852
9 H SER 3 H SER 3 5.468 -16.204 0.393
10 HA SER 3 HA SER 3 3.892 -18.547 -0.191
11 HB2 SER 3 1HB SER 3 5.587 -19.753 1.104
12 HB3 SER 3 2HB SER 3 6.355 -18.671 -0.057
13 HG SER 3 HG SER 3 6.173 -17.187 1.989
14 H GLY 4 H GLY 4 4.473 -16.439 2.574
15 HA2 GLY 4 1HA GLY 4 3.109 -18.033 4.487
16 HA3 GLY 4 2HA GLY 4 3.481 -16.323 4.644
17 H SER 5 H SER 5 2.031 -14.801 3.527
18 HA SER 5 HA SER 5 -0.734 -15.730 3.766
19 HB2 SER 5 1HB SER 5 0.214 -13.637 4.960
20 HB3 SER 5 2HB SER 5 0.098 -12.862 3.380
21 HG SER 5 HG SER 5 -1.968 -12.688 3.668
22 H SER 6 H SER 6 -1.225 -16.697 1.848
23 HA SER 6 HA SER 6 -0.511 -15.518 -0.677
24 HB2 SER 6 1HB SER 6 -1.627 -17.404 -1.678
25 HB3 SER 6 2HB SER 6 -0.710 -17.994 -0.293
26 HG SER 6 HG SER 6 -2.553 -18.814 0.291
27 H GLY 7 H GLY 7 -1.556 -13.879 -1.577
28 HA2 GLY 7 1HA GLY 7 -4.391 -13.466 -0.871
29 HA3 GLY 7 2HA GLY 7 -3.283 -12.190 -1.354
30 H THR 8 H THR 8 -5.908 -13.650 -2.379
31 HA THR 8 HA THR 8 -5.057 -13.994 -5.165
32 HB THR 8 HB THR 8 -6.388 -15.824 -4.197
33 HG1 THR 8 HG1 THR 8 -8.058 -14.515 -6.066
34 HG21 THR 8 3HG2 THR 8 -8.546 -15.576 -3.366
35 HG22 THR 8 1HG2 THR 8 -8.774 -14.010 -4.144
36 HG23 THR 8 2HG2 THR 8 -7.725 -14.149 -2.732
37 H GLY 9 H GLY 9 -7.357 -12.205 -3.152
38 HA2 GLY 9 1HA GLY 9 -8.803 -10.856 -5.069
39 HA3 GLY 9 2HA GLY 9 -8.383 -10.178 -3.503
40 H GLU 10 H GLU 10 -8.662 -8.632 -5.822
41 HA GLU 10 HA GLU 10 -5.904 -7.662 -6.123
42 HB2 GLU 10 1HB GLU 10 -6.159 -7.288 -8.448
43 HB3 GLU 10 2HB GLU 10 -6.723 -8.928 -8.158
44 HG2 GLU 10 1HG GLU 10 -8.346 -8.124 -9.559
45 HG3 GLU 10 2HG GLU 10 -9.061 -7.809 -7.980
46 H LYS 11 H LYS 11 -5.705 -5.401 -6.544
47 HA LYS 11 HA LYS 11 -8.125 -3.805 -6.097
48 HB2 LYS 11 1HB LYS 11 -5.572 -3.687 -4.502
49 HB3 LYS 11 2HB LYS 11 -6.684 -2.326 -4.578
50 HG2 LYS 11 1HG LYS 11 -8.341 -3.447 -3.413
51 HG3 LYS 11 2HG LYS 11 -7.664 -5.035 -3.780
52 HD2 LYS 11 1HD LYS 11 -5.628 -4.185 -2.395
53 HD3 LYS 11 2HD LYS 11 -6.787 -3.020 -1.750
54 HE2 LYS 11 1HE LYS 11 -7.524 -5.908 -1.820
55 HE3 LYS 11 2HE LYS 11 -6.403 -5.344 -0.581
56 HZ1 LYS 11 3HZ LYS 11 -9.007 -5.324 -0.234
57 HZ2 LYS 11 1HZ LYS 11 -8.853 -3.805 -0.964
58 HZ3 LYS 11 2HZ LYS 11 -8.004 -4.151 0.457
59 HA PRO 12 HA PRO 12 -6.525 -1.325 -9.359
60 HB2 PRO 12 1HB PRO 12 -7.791 1.014 -8.814
61 HB3 PRO 12 2HB PRO 12 -8.621 -0.394 -9.486
62 HG2 PRO 12 1HG PRO 12 -8.511 0.566 -6.653
63 HG3 PRO 12 2HG PRO 12 -9.898 -0.046 -7.574
64 HD2 PRO 12 1HD PRO 12 -8.540 -1.574 -5.798
65 HD3 PRO 12 2HD PRO 12 -9.298 -2.248 -7.255
66 H PHE 13 H PHE 13 -5.810 -0.791 -6.100
67 HA PHE 13 HA PHE 13 -3.732 1.157 -6.839
68 HB2 PHE 13 1HB PHE 13 -5.212 1.131 -4.203
69 HB3 PHE 13 2HB PHE 13 -4.016 2.309 -4.734
70 HD1 PHE 13 HD1 PHE 13 -4.619 3.534 -6.992
71 HD2 PHE 13 HD2 PHE 13 -7.435 1.661 -4.406
72 HE1 PHE 13 HE1 PHE 13 -6.412 4.928 -7.939
73 HE2 PHE 13 HE2 PHE 13 -9.232 3.052 -5.350
74 HZ PHE 13 HZ PHE 13 -8.722 4.687 -7.119
75 H GLU 14 H GLU 14 -2.082 -0.319 -6.962
76 HA GLU 14 HA GLU 14 -1.186 -1.414 -4.408
77 HB2 GLU 14 1HB GLU 14 -0.589 -3.577 -5.567
78 HB3 GLU 14 2HB GLU 14 -2.306 -3.311 -5.297
79 HG2 GLU 14 1HG GLU 14 -2.366 -4.038 -7.445
80 HG3 GLU 14 2HG GLU 14 -2.187 -2.307 -7.727
81 H CYS 15 H CYS 15 0.871 -0.905 -4.095
82 HA CYS 15 HA CYS 15 2.433 0.386 -6.066
83 HB2 CYS 15 1HB CYS 15 2.625 0.695 -3.570
84 HB3 CYS 15 2HB CYS 15 3.441 -0.864 -3.506
85 H ALA 16 H ALA 16 3.949 -0.345 -7.447
86 HA ALA 16 HA ALA 16 4.209 -3.229 -7.747
87 HB1 ALA 16 3HB ALA 16 5.739 -1.904 -9.705
88 HB2 ALA 16 1HB ALA 16 4.179 -2.704 -9.901
89 HB3 ALA 16 2HB ALA 16 4.247 -0.984 -9.514
90 H GLU 17 H GLU 17 6.167 -0.422 -6.954
91 HA GLU 17 HA GLU 17 8.720 -1.416 -7.193
92 HB2 GLU 17 1HB GLU 17 7.630 0.365 -5.007
93 HB3 GLU 17 2HB GLU 17 9.337 0.130 -5.353
94 HG2 GLU 17 1HG GLU 17 9.134 1.174 -7.478
95 HG3 GLU 17 2HG GLU 17 7.375 1.200 -7.362
96 H CYS 18 H CYS 18 6.789 -1.489 -4.190
97 HA CYS 18 HA CYS 18 8.511 -3.620 -3.173
98 HB2 CYS 18 1HB CYS 18 7.462 -3.202 -1.017
99 HB3 CYS 18 2HB CYS 18 8.024 -1.685 -1.713
100 H GLY 19 H GLY 19 5.063 -2.951 -3.729
101 HA2 GLY 19 1HA GLY 19 3.740 -4.711 -4.793
102 HA3 GLY 19 2HA GLY 19 4.632 -5.872 -3.820
103 H LYS 20 H LYS 20 3.272 -2.807 -2.719
104 HA LYS 20 HA LYS 20 1.647 -4.313 -0.795
105 HB2 LYS 20 1HB LYS 20 3.299 -2.596 0.022
106 HB3 LYS 20 2HB LYS 20 2.311 -1.366 -0.756
107 HG2 LYS 20 1HG LYS 20 1.473 -1.243 1.349
108 HG3 LYS 20 2HG LYS 20 0.407 -2.487 0.692
109 HD2 LYS 20 1HD LYS 20 2.058 -4.185 1.591
110 HD3 LYS 20 2HD LYS 20 2.817 -2.849 2.460
111 HE2 LYS 20 1HE LYS 20 -0.115 -3.464 2.700
112 HE3 LYS 20 2HE LYS 20 1.093 -4.233 3.727
113 HZ1 LYS 20 3HZ LYS 20 1.743 -2.114 4.577
114 HZ2 LYS 20 1HZ LYS 20 0.062 -2.235 4.718
115 HZ3 LYS 20 2HZ LYS 20 0.742 -1.296 3.487
116 H SER 21 H SER 21 -0.500 -4.359 -0.951
117 HA SER 21 HA SER 21 -1.776 -2.654 -2.967
118 HB2 SER 21 1HB SER 21 -3.670 -4.281 -2.786
119 HB3 SER 21 2HB SER 21 -2.155 -5.017 -3.307
120 HG SER 21 HG SER 21 -2.010 -6.074 -1.458
121 H PHE 22 H PHE 22 -3.660 -1.486 -2.515
122 HA PHE 22 HA PHE 22 -4.416 -1.242 0.309
123 HB2 PHE 22 1HB PHE 22 -3.773 1.071 -1.532
124 HB3 PHE 22 2HB PHE 22 -4.487 1.230 0.069
125 HD1 PHE 22 HD2 PHE 22 -3.171 0.832 2.066
126 HD2 PHE 22 HD1 PHE 22 -1.448 0.510 -1.813
127 HE1 PHE 22 HE2 PHE 22 -0.922 0.891 3.063
128 HE2 PHE 22 HE1 PHE 22 0.803 0.568 -0.822
129 HZ PHE 22 HZ PHE 22 1.068 0.760 1.619
130 H SER 23 H SER 23 -6.491 -0.084 0.601
131 HA SER 23 HA SER 23 -8.390 -0.992 -1.389
132 HB2 SER 23 1HB SER 23 -8.669 -1.206 1.155
133 HB3 SER 23 2HB SER 23 -9.061 0.513 1.137
134 HG SER 23 HG SER 23 -10.549 -1.644 0.308
135 H ILE 24 H ILE 24 -7.342 2.074 0.035
136 HA ILE 24 HA ILE 24 -8.796 3.481 -2.109
137 HB ILE 24 HB ILE 24 -8.711 5.484 -0.606
138 HG12 ILE 24 1HG1 ILE 24 -8.045 3.495 1.566
139 HG13 ILE 24 2HG1 ILE 24 -6.835 4.526 0.810
140 HG21 ILE 24 1HG2 ILE 24 -10.177 3.128 0.569
141 HG22 ILE 24 2HG2 ILE 24 -10.612 4.831 0.706
142 HG23 ILE 24 3HG2 ILE 24 -10.703 4.021 -0.858
143 HD11 ILE 24 3HD1 ILE 24 -7.337 5.796 2.617
144 HD12 ILE 24 1HD1 ILE 24 -8.552 6.415 1.497
145 HD13 ILE 24 2HD1 ILE 24 -8.999 5.212 2.708
146 H SER 25 H SER 25 -7.715 4.913 -3.374
147 HA SER 25 HA SER 25 -5.065 4.667 -3.930
148 HB2 SER 25 1HB SER 25 -6.914 6.038 -5.139
149 HB3 SER 25 2HB SER 25 -6.348 7.378 -4.141
150 HG SER 25 HG SER 25 -4.761 7.585 -5.484
151 H SER 26 H SER 26 -6.434 7.279 -1.922
152 HA SER 26 HA SER 26 -4.319 8.693 -1.143
153 HB2 SER 26 1HB SER 26 -6.548 9.035 -0.186
154 HB3 SER 26 2HB SER 26 -6.376 7.564 0.772
155 HG SER 26 HG SER 26 -5.879 9.600 1.870
156 H GLN 27 H GLN 27 -5.204 5.694 0.578
157 HA GLN 27 HA GLN 27 -3.105 5.461 2.292
158 HB2 GLN 27 1HB GLN 27 -4.599 3.358 0.747
159 HB3 GLN 27 2HB GLN 27 -3.338 2.925 1.892
160 HG2 GLN 27 1HG GLN 27 -5.827 4.493 2.528
161 HG3 GLN 27 2HG GLN 27 -5.555 2.789 2.891
162 HE21 GLN 27 1HE2 GLN 27 -4.453 2.238 4.683
163 HE22 GLN 27 2HE2 GLN 27 -3.788 3.368 5.808
164 H LEU 28 H LEU 28 -3.143 4.386 -1.095
165 HA LEU 28 HA LEU 28 -0.569 3.311 -1.183
166 HB2 LEU 28 1HB LEU 28 -2.125 2.906 -2.956
167 HB3 LEU 28 2HB LEU 28 -2.228 4.626 -3.324
168 HG LEU 28 HG LEU 28 0.240 4.473 -3.949
169 HD11 LEU 28 1HD1 LEU 28 0.328 1.835 -4.805
170 HD12 LEU 28 2HD1 LEU 28 -0.272 1.743 -3.149
171 HD13 LEU 28 3HD1 LEU 28 1.258 2.553 -3.489
172 HD21 LEU 28 3HD2 LEU 28 -0.388 3.291 -6.160
173 HD22 LEU 28 1HD2 LEU 28 -1.221 4.783 -5.723
174 HD23 LEU 28 2HD2 LEU 28 -2.014 3.227 -5.477
175 H ALA 29 H ALA 29 -1.653 6.576 -2.116
176 HA ALA 29 HA ALA 29 0.799 7.650 -2.816
177 HB1 ALA 29 3HB ALA 29 -1.766 8.607 -2.577
178 HB2 ALA 29 1HB ALA 29 -0.880 9.543 -1.373
179 HB3 ALA 29 2HB ALA 29 -0.353 9.547 -3.057
180 H THR 30 H THR 30 -0.738 7.575 0.388
181 HA THR 30 HA THR 30 1.307 8.961 1.747
182 HB THR 30 HB THR 30 -0.553 6.898 2.939
183 HG1 THR 30 HG1 THR 30 -1.591 8.648 1.704
184 HG21 THR 30 3HG2 THR 30 0.852 9.286 4.141
185 HG22 THR 30 1HG2 THR 30 1.258 7.594 4.421
186 HG23 THR 30 2HG2 THR 30 -0.285 8.235 4.984
187 H HIS 31 H HIS 31 1.256 5.861 0.408
188 HA HIS 31 HA HIS 31 3.225 4.773 2.266
189 HB2 HIS 31 1HB HIS 31 1.821 3.040 1.724
190 HB3 HIS 31 2HB HIS 31 1.506 3.658 0.105
191 HD1 HIS 31 HD1 HIS 31 3.578 1.262 1.956
192 HD2 HIS 31 HD2 HIS 31 3.598 3.055 -1.792
193 HE1 HIS 31 HE1 HIS 31 5.164 -0.106 0.565
194 H GLN 32 H GLN 32 2.957 5.225 -1.264
195 HA GLN 32 HA GLN 32 5.501 4.624 -2.035
196 HB2 GLN 32 1HB GLN 32 3.594 6.720 -3.041
197 HB3 GLN 32 2HB GLN 32 5.164 6.479 -3.796
198 HG2 GLN 32 1HG GLN 32 4.616 4.350 -4.547
199 HG3 GLN 32 2HG GLN 32 3.280 4.189 -3.409
200 HE21 GLN 32 1HE2 GLN 32 3.879 4.419 -6.535
201 HE22 GLN 32 2HE2 GLN 32 2.489 5.287 -7.080
202 H ARG 33 H ARG 33 4.467 7.347 -0.175
203 HA ARG 33 HA ARG 33 6.410 9.234 -0.606
204 HB2 ARG 33 1HB ARG 33 5.914 10.110 1.525
205 HB3 ARG 33 2HB ARG 33 4.433 9.318 1.004
206 HG2 ARG 33 1HG ARG 33 4.822 7.463 2.438
207 HG3 ARG 33 2HG ARG 33 6.457 8.018 2.806
208 HD2 ARG 33 1HD ARG 33 5.490 10.035 3.861
209 HD3 ARG 33 2HD ARG 33 3.878 9.386 3.564
210 HE ARG 33 HE ARG 33 4.160 7.954 5.333
211 HH11 ARG 33 1HH1 ARG 33 7.232 9.344 4.469
212 HH12 ARG 33 2HH1 ARG 33 8.055 8.717 5.859
213 HH21 ARG 33 1HH2 ARG 33 5.231 7.123 7.167
214 HH22 ARG 33 2HH2 ARG 33 6.916 7.453 7.393
215 H ILE 34 H ILE 34 6.679 6.201 1.125
216 HA ILE 34 HA ILE 34 9.212 6.741 2.312
217 HB ILE 34 HB ILE 34 9.273 4.459 2.952
218 HG12 ILE 34 1HG1 ILE 34 7.007 3.858 1.049
219 HG13 ILE 34 2HG1 ILE 34 8.698 3.623 0.622
220 HG21 ILE 34 1HG2 ILE 34 6.368 4.562 3.068
221 HG22 ILE 34 2HG2 ILE 34 7.556 4.606 4.370
222 HG23 ILE 34 3HG2 ILE 34 7.129 6.089 3.515
223 HD11 ILE 34 3HD1 ILE 34 6.960 2.067 2.425
224 HD12 ILE 34 1HD1 ILE 34 8.249 1.537 1.344
225 HD13 ILE 34 2HD1 ILE 34 8.646 2.252 2.907
226 H HIS 35 H HIS 35 8.163 5.444 -0.758
227 HA HIS 35 HA HIS 35 10.654 4.329 -1.542
228 HB2 HIS 35 1HB HIS 35 8.144 5.106 -2.986
229 HB3 HIS 35 2HB HIS 35 9.581 4.665 -3.903
230 HD1 HIS 35 HD1 HIS 35 10.603 2.203 -3.122
231 HD2 HIS 35 HD2 HIS 35 6.593 2.983 -2.365
232 HE1 HIS 35 HE1 HIS 35 9.536 -0.046 -2.768
233 H THR 36 H THR 36 9.185 7.506 -1.889
234 HA THR 36 HA THR 36 11.325 8.496 -3.562
235 HB THR 36 HB THR 36 9.037 9.357 -3.851
236 HG1 THR 36 HG1 THR 36 11.238 10.738 -3.797
237 HG21 THR 36 3HG2 THR 36 8.268 9.279 -1.549
238 HG22 THR 36 1HG2 THR 36 8.112 10.920 -2.176
239 HG23 THR 36 2HG2 THR 36 9.441 10.513 -1.090
240 H GLY 37 H GLY 37 12.923 9.949 -2.979
241 HA2 GLY 37 1HA GLY 37 13.996 11.435 -1.446
242 HA3 GLY 37 2HA GLY 37 13.145 10.640 -0.130
243 H GLU 38 H GLU 38 15.823 10.403 -2.379
244 HA GLU 38 HA GLU 38 16.918 8.178 -0.795
245 HB2 GLU 38 1HB GLU 38 18.252 7.582 -2.693
246 HB3 GLU 38 2HB GLU 38 16.597 7.798 -3.246
247 HG2 GLU 38 1HG GLU 38 17.085 9.767 -4.358
248 HG3 GLU 38 2HG GLU 38 18.552 10.049 -3.422
249 H LYS 39 H LYS 39 19.483 8.230 -1.034
250 HA LYS 39 HA LYS 39 20.393 10.308 0.591
251 HB2 LYS 39 1HB LYS 39 21.938 8.443 -1.218
252 HB3 LYS 39 2HB LYS 39 22.681 9.497 -0.022
253 HG2 LYS 39 1HG LYS 39 20.559 7.580 0.823
254 HG3 LYS 39 2HG LYS 39 22.203 7.004 0.541
255 HD2 LYS 39 1HD LYS 39 21.661 9.379 2.294
256 HD3 LYS 39 2HD LYS 39 21.558 7.733 2.923
257 HE2 LYS 39 1HE LYS 39 23.846 7.311 2.399
258 HE3 LYS 39 2HE LYS 39 23.976 8.818 1.493
259 HZ1 LYS 39 3HZ LYS 39 24.149 10.045 3.375
260 HZ2 LYS 39 1HZ LYS 39 24.804 8.604 3.972
261 HZ3 LYS 39 2HZ LYS 39 23.193 9.000 4.301
262 HA PRO 40 HA PRO 40 21.231 13.684 -2.088
263 HB2 PRO 40 1HB PRO 40 23.420 14.764 -0.900
264 HB3 PRO 40 2HB PRO 40 21.797 14.879 -0.209
265 HG2 PRO 40 1HG PRO 40 24.021 12.995 0.478
266 HG3 PRO 40 2HG PRO 40 22.921 13.871 1.560
267 HD2 PRO 40 1HD PRO 40 22.574 11.260 0.931
268 HD3 PRO 40 2HD PRO 40 21.213 12.352 1.258
269 H SER 41 H SER 41 23.112 10.977 -2.037
270 HA SER 41 HA SER 41 25.221 12.030 -3.760
271 HB2 SER 41 1HB SER 41 26.044 10.525 -2.107
272 HB3 SER 41 2HB SER 41 24.782 9.343 -2.453
273 HG SER 41 HG SER 41 26.895 10.108 -4.190
274 H GLY 42 H GLY 42 25.603 11.261 -5.862
275 HA2 GLY 42 1HA GLY 42 23.175 10.284 -7.192
276 HA3 GLY 42 2HA GLY 42 24.518 11.104 -7.975
277 HA PRO 43 HA PRO 43 26.053 7.225 -9.322
278 HB2 PRO 43 1HB PRO 43 28.708 7.770 -9.494
279 HB3 PRO 43 2HB PRO 43 27.520 8.407 -10.638
280 HG2 PRO 43 1HG PRO 43 28.774 9.741 -8.269
281 HG3 PRO 43 2HG PRO 43 28.469 10.394 -9.889
282 HD2 PRO 43 1HD PRO 43 26.865 10.933 -7.775
283 HD3 PRO 43 2HD PRO 43 26.250 10.819 -9.437
284 H SER 44 H SER 44 27.316 5.397 -8.697
285 HA SER 44 HA SER 44 28.032 5.415 -5.841
286 HB2 SER 44 1HB SER 44 26.151 3.876 -6.869
287 HB3 SER 44 2HB SER 44 27.524 2.876 -7.344
288 HG SER 44 HG SER 44 27.005 3.775 -4.701
289 H SER 45 H SER 45 30.175 5.926 -5.900
290 HA SER 45 HA SER 45 31.922 4.032 -7.330
291 HB2 SER 45 1HB SER 45 33.573 5.986 -7.433
292 HB3 SER 45 2HB SER 45 32.180 6.070 -8.511
293 HG SER 45 HG SER 45 32.117 7.253 -5.951
294 H GLY 46 H GLY 46 31.186 5.747 -4.422
295 HA2 GLY 46 1HA GLY 46 33.620 4.681 -3.142
296 HA3 GLY 46 2HA GLY 46 32.676 6.036 -2.539
Start of MODEL 14
1 H1 GLY 1 H GLY 1 7.800 -27.218 -3.470
2 HA2 GLY 1 1HA GLY 1 7.788 -25.068 -4.575
3 HA3 GLY 1 2HA GLY 1 6.795 -25.779 -5.839
4 H SER 2 H SER 2 6.815 -24.065 -2.908
5 HA SER 2 HA SER 2 3.919 -24.459 -2.563
6 HB2 SER 2 1HB SER 2 6.141 -23.831 -0.679
7 HB3 SER 2 2HB SER 2 4.557 -23.137 -0.333
8 HG SER 2 HG SER 2 3.940 -25.528 -0.842
9 H SER 3 H SER 3 2.579 -22.868 -3.093
10 HA SER 3 HA SER 3 3.515 -20.100 -3.058
11 HB2 SER 3 1HB SER 3 2.618 -19.662 -5.304
12 HB3 SER 3 2HB SER 3 3.895 -20.877 -5.362
13 HG SER 3 HG SER 3 2.078 -22.438 -5.244
14 H GLY 4 H GLY 4 1.611 -18.582 -3.557
15 HA2 GLY 4 1HA GLY 4 -0.896 -18.553 -3.581
16 HA3 GLY 4 2HA GLY 4 -0.794 -19.679 -2.235
17 H SER 5 H SER 5 0.975 -18.672 -0.546
18 HA SER 5 HA SER 5 -0.257 -16.867 1.002
19 HB2 SER 5 1HB SER 5 2.726 -17.000 0.506
20 HB3 SER 5 2HB SER 5 1.976 -16.169 1.869
21 HG SER 5 HG SER 5 1.453 -18.891 1.337
22 H SER 6 H SER 6 2.225 -15.877 -1.365
23 HA SER 6 HA SER 6 1.895 -13.134 -1.113
24 HB2 SER 6 1HB SER 6 3.001 -12.936 -3.263
25 HB3 SER 6 2HB SER 6 3.744 -14.254 -2.357
26 HG SER 6 HG SER 6 3.002 -15.655 -3.765
27 H GLY 7 H GLY 7 0.421 -11.694 -1.783
28 HA2 GLY 7 1HA GLY 7 -1.215 -10.810 -3.235
29 HA3 GLY 7 2HA GLY 7 -1.440 -12.413 -3.920
30 H THR 8 H THR 8 -2.070 -10.433 -1.059
31 HA THR 8 HA THR 8 -4.370 -12.176 -0.457
32 HB THR 8 HB THR 8 -2.885 -10.379 1.469
33 HG1 THR 8 HG1 THR 8 -2.017 -12.308 2.268
34 HG21 THR 8 3HG2 THR 8 -4.263 -11.221 3.167
35 HG22 THR 8 1HG2 THR 8 -4.841 -12.551 2.163
36 HG23 THR 8 2HG2 THR 8 -5.375 -10.902 1.836
37 H GLY 9 H GLY 9 -5.731 -11.022 -1.908
38 HA2 GLY 9 1HA GLY 9 -7.648 -9.500 -1.409
39 HA3 GLY 9 2HA GLY 9 -6.434 -8.310 -0.964
40 H GLU 10 H GLU 10 -8.561 -9.010 -3.282
41 HA GLU 10 HA GLU 10 -6.888 -8.434 -5.585
42 HB2 GLU 10 1HB GLU 10 -9.773 -9.146 -5.193
43 HB3 GLU 10 2HB GLU 10 -9.247 -8.433 -6.711
44 HG2 GLU 10 1HG GLU 10 -7.738 -10.763 -5.662
45 HG3 GLU 10 2HG GLU 10 -9.335 -11.041 -6.353
46 H LYS 11 H LYS 11 -6.555 -6.353 -4.012
47 HA LYS 11 HA LYS 11 -8.503 -4.283 -4.387
48 HB2 LYS 11 1HB LYS 11 -5.633 -4.121 -3.449
49 HB3 LYS 11 2HB LYS 11 -6.810 -2.818 -3.353
50 HG2 LYS 11 1HG LYS 11 -8.057 -3.906 -1.706
51 HG3 LYS 11 2HG LYS 11 -7.300 -5.466 -2.039
52 HD2 LYS 11 1HD LYS 11 -5.213 -4.707 -1.108
53 HD3 LYS 11 2HD LYS 11 -5.849 -3.071 -0.916
54 HE2 LYS 11 1HE LYS 11 -6.890 -5.533 0.483
55 HE3 LYS 11 2HE LYS 11 -5.829 -4.323 1.202
56 HZ1 LYS 11 3HZ LYS 11 -7.764 -2.746 0.397
57 HZ2 LYS 11 1HZ LYS 11 -7.823 -3.535 1.893
58 HZ3 LYS 11 2HZ LYS 11 -8.676 -4.160 0.573
59 HA PRO 12 HA PRO 12 -7.257 -2.828 -8.350
60 HB2 PRO 12 1HB PRO 12 -8.149 -0.270 -8.173
61 HB3 PRO 12 2HB PRO 12 -9.231 -1.652 -8.374
62 HG2 PRO 12 1HG PRO 12 -8.519 -0.151 -5.884
63 HG3 PRO 12 2HG PRO 12 -10.104 -0.735 -6.424
64 HD2 PRO 12 1HD PRO 12 -8.625 -2.040 -4.568
65 HD3 PRO 12 2HD PRO 12 -9.698 -2.886 -5.702
66 H PHE 13 H PHE 13 -6.264 -1.175 -5.429
67 HA PHE 13 HA PHE 13 -4.149 0.242 -6.877
68 HB2 PHE 13 1HB PHE 13 -5.068 0.476 -4.004
69 HB3 PHE 13 2HB PHE 13 -3.791 1.441 -4.737
70 HD1 PHE 13 HD1 PHE 13 -4.507 2.708 -6.937
71 HD2 PHE 13 HD2 PHE 13 -7.189 1.346 -3.925
72 HE1 PHE 13 HE1 PHE 13 -6.177 4.352 -7.686
73 HE2 PHE 13 HE2 PHE 13 -8.864 2.987 -4.670
74 HZ PHE 13 HZ PHE 13 -8.359 4.493 -6.553
75 H GLU 14 H GLU 14 -2.186 -0.604 -6.992
76 HA GLU 14 HA GLU 14 -1.152 -2.166 -4.749
77 HB2 GLU 14 1HB GLU 14 -2.139 -3.752 -6.413
78 HB3 GLU 14 2HB GLU 14 -0.995 -3.145 -7.603
79 HG2 GLU 14 1HG GLU 14 0.854 -3.872 -6.121
80 HG3 GLU 14 2HG GLU 14 -0.345 -4.592 -5.047
81 H CYS 15 H CYS 15 0.676 -1.212 -4.177
82 HA CYS 15 HA CYS 15 2.069 0.698 -5.607
83 HB2 CYS 15 1HB CYS 15 2.337 0.307 -3.184
84 HB3 CYS 15 2HB CYS 15 3.195 -1.191 -3.529
85 H ALA 16 H ALA 16 3.614 0.694 -7.136
86 HA ALA 16 HA ALA 16 4.434 -1.916 -8.205
87 HB1 ALA 16 3HB ALA 16 3.575 -0.885 -10.029
88 HB2 ALA 16 1HB ALA 16 3.912 0.732 -9.410
89 HB3 ALA 16 2HB ALA 16 5.208 -0.226 -10.126
90 H GLU 17 H GLU 17 5.676 -0.688 -5.866
91 HA GLU 17 HA GLU 17 8.393 -0.283 -6.934
92 HB2 GLU 17 1HB GLU 17 7.145 0.875 -4.437
93 HB3 GLU 17 2HB GLU 17 8.850 1.006 -4.844
94 HG2 GLU 17 1HG GLU 17 6.653 2.024 -6.622
95 HG3 GLU 17 2HG GLU 17 7.434 3.006 -5.384
96 H CYS 18 H CYS 18 6.576 -1.468 -4.114
97 HA CYS 18 HA CYS 18 8.773 -3.361 -3.598
98 HB2 CYS 18 1HB CYS 18 7.786 -3.487 -1.273
99 HB3 CYS 18 2HB CYS 18 8.514 -1.942 -1.701
100 H GLY 19 H GLY 19 5.230 -3.030 -3.496
101 HA2 GLY 19 1HA GLY 19 4.087 -4.860 -4.807
102 HA3 GLY 19 2HA GLY 19 5.050 -5.960 -3.831
103 H LYS 20 H LYS 20 3.111 -3.066 -3.075
104 HA LYS 20 HA LYS 20 1.718 -4.671 -1.034
105 HB2 LYS 20 1HB LYS 20 2.722 -1.873 -1.062
106 HB3 LYS 20 2HB LYS 20 1.208 -2.172 -0.218
107 HG2 LYS 20 1HG LYS 20 3.471 -3.987 0.374
108 HG3 LYS 20 2HG LYS 20 3.571 -2.332 0.978
109 HD2 LYS 20 1HD LYS 20 2.473 -3.288 2.732
110 HD3 LYS 20 2HD LYS 20 1.080 -2.865 1.733
111 HE2 LYS 20 1HE LYS 20 0.872 -5.141 2.545
112 HE3 LYS 20 2HE LYS 20 1.084 -5.135 0.794
113 HZ1 LYS 20 3HZ LYS 20 2.935 -6.321 0.976
114 HZ2 LYS 20 1HZ LYS 20 2.552 -6.569 2.605
115 HZ3 LYS 20 2HZ LYS 20 3.580 -5.301 2.162
116 H SER 21 H SER 21 -0.493 -3.593 -0.470
117 HA SER 21 HA SER 21 -1.850 -2.652 -2.889
118 HB2 SER 21 1HB SER 21 -3.711 -4.250 -2.491
119 HB3 SER 21 2HB SER 21 -2.197 -5.061 -2.892
120 HG SER 21 HG SER 21 -2.488 -6.107 -1.102
121 H PHE 22 H PHE 22 -3.845 -1.569 -2.498
122 HA PHE 22 HA PHE 22 -4.556 -1.003 0.268
123 HB2 PHE 22 1HB PHE 22 -3.838 1.205 -1.672
124 HB3 PHE 22 2HB PHE 22 -4.444 1.421 -0.033
125 HD1 PHE 22 HD1 PHE 22 -1.593 0.149 -2.012
126 HD2 PHE 22 HD2 PHE 22 -2.991 1.390 1.811
127 HE1 PHE 22 HE1 PHE 22 0.717 0.125 -1.164
128 HE2 PHE 22 HE2 PHE 22 -0.684 1.368 2.666
129 HZ PHE 22 HZ PHE 22 1.174 0.737 1.178
130 H SER 23 H SER 23 -6.596 0.186 0.451
131 HA SER 23 HA SER 23 -8.465 -0.714 -1.563
132 HB2 SER 23 1HB SER 23 -8.831 -0.797 0.977
133 HB3 SER 23 2HB SER 23 -9.147 0.935 0.869
134 HG SER 23 HG SER 23 -10.546 -1.145 -0.463
135 H ILE 24 H ILE 24 -7.320 2.368 -0.258
136 HA ILE 24 HA ILE 24 -8.601 3.719 -2.545
137 HB ILE 24 HB ILE 24 -8.586 5.784 -1.107
138 HG12 ILE 24 1HG1 ILE 24 -8.148 3.803 1.135
139 HG13 ILE 24 2HG1 ILE 24 -6.913 4.902 0.531
140 HG21 ILE 24 1HG2 ILE 24 -10.684 5.338 -0.232
141 HG22 ILE 24 2HG2 ILE 24 -10.532 4.124 -1.501
142 HG23 ILE 24 3HG2 ILE 24 -10.269 3.675 0.184
143 HD11 ILE 24 3HD1 ILE 24 -7.658 6.129 2.276
144 HD12 ILE 24 1HD1 ILE 24 -8.803 6.688 1.057
145 HD13 ILE 24 2HD1 ILE 24 -9.282 5.443 2.212
146 H SER 25 H SER 25 -7.424 5.248 -3.664
147 HA SER 25 HA SER 25 -4.681 4.883 -3.913
148 HB2 SER 25 1HB SER 25 -5.883 5.876 -5.726
149 HB3 SER 25 2HB SER 25 -6.441 7.206 -4.712
150 HG SER 25 HG SER 25 -4.266 7.119 -6.191
151 H SER 26 H SER 26 -6.438 7.469 -2.220
152 HA SER 26 HA SER 26 -4.458 9.116 -1.401
153 HB2 SER 26 1HB SER 26 -5.825 9.783 0.392
154 HB3 SER 26 2HB SER 26 -6.967 9.128 -0.781
155 HG SER 26 HG SER 26 -6.771 7.111 0.434
156 H GLN 27 H GLN 27 -5.227 5.966 0.012
157 HA GLN 27 HA GLN 27 -3.321 6.114 2.107
158 HB2 GLN 27 1HB GLN 27 -4.986 3.970 0.882
159 HB3 GLN 27 2HB GLN 27 -3.612 3.479 1.864
160 HG2 GLN 27 1HG GLN 27 -5.629 5.442 2.884
161 HG3 GLN 27 2HG GLN 27 -5.900 3.703 2.988
162 HE21 GLN 27 1HE2 GLN 27 -4.999 6.201 4.761
163 HE22 GLN 27 2HE2 GLN 27 -3.873 5.457 5.839
164 H LEU 28 H LEU 28 -3.274 4.431 -1.032
165 HA LEU 28 HA LEU 28 -0.759 3.306 -0.893
166 HB2 LEU 28 1HB LEU 28 -2.073 2.681 -2.712
167 HB3 LEU 28 2HB LEU 28 -2.389 4.352 -3.176
168 HG LEU 28 HG LEU 28 -0.011 4.530 -3.902
169 HD11 LEU 28 1HD1 LEU 28 1.450 2.969 -3.329
170 HD12 LEU 28 2HD1 LEU 28 0.551 1.783 -4.274
171 HD13 LEU 28 3HD1 LEU 28 0.168 2.024 -2.570
172 HD21 LEU 28 3HD2 LEU 28 -1.970 3.938 -5.399
173 HD22 LEU 28 1HD2 LEU 28 -1.418 2.266 -5.293
174 HD23 LEU 28 2HD2 LEU 28 -0.367 3.499 -5.991
175 H ALA 29 H ALA 29 -1.586 6.474 -2.308
176 HA ALA 29 HA ALA 29 0.876 7.377 -3.044
177 HB1 ALA 29 3HB ALA 29 -1.648 8.551 -2.505
178 HB2 ALA 29 1HB ALA 29 -0.408 9.558 -1.757
179 HB3 ALA 29 2HB ALA 29 -0.324 9.189 -3.480
180 H THR 30 H THR 30 -0.545 7.719 0.205
181 HA THR 30 HA THR 30 1.571 9.024 1.438
182 HB THR 30 HB THR 30 -0.324 7.007 2.659
183 HG1 THR 30 HG1 THR 30 -0.978 9.197 1.609
184 HG21 THR 30 3HG2 THR 30 0.540 7.429 4.691
185 HG22 THR 30 1HG2 THR 30 0.754 9.145 4.347
186 HG23 THR 30 2HG2 THR 30 1.963 7.979 3.807
187 H HIS 31 H HIS 31 1.060 5.570 0.903
188 HA HIS 31 HA HIS 31 3.294 4.700 2.423
189 HB2 HIS 31 1HB HIS 31 1.813 2.971 2.088
190 HB3 HIS 31 2HB HIS 31 1.449 3.459 0.436
191 HD1 HIS 31 HD1 HIS 31 3.254 0.974 2.298
192 HD2 HIS 31 HD2 HIS 31 3.746 2.859 -1.371
193 HE1 HIS 31 HE1 HIS 31 4.832 -0.489 0.997
194 H GLN 32 H GLN 32 2.820 5.469 -0.992
195 HA GLN 32 HA GLN 32 5.206 4.558 -2.047
196 HB2 GLN 32 1HB GLN 32 3.329 6.761 -2.752
197 HB3 GLN 32 2HB GLN 32 4.896 6.730 -3.550
198 HG2 GLN 32 1HG GLN 32 4.250 4.213 -3.972
199 HG3 GLN 32 2HG GLN 32 2.616 4.842 -3.766
200 HE21 GLN 32 1HE2 GLN 32 1.721 6.084 -5.338
201 HE22 GLN 32 2HE2 GLN 32 2.480 6.408 -6.856
202 H ARG 33 H ARG 33 4.722 7.026 0.240
203 HA ARG 33 HA ARG 33 6.884 8.733 -0.329
204 HB2 ARG 33 1HB ARG 33 6.581 9.622 1.852
205 HB3 ARG 33 2HB ARG 33 4.981 9.163 1.282
206 HG2 ARG 33 1HG ARG 33 4.874 8.295 3.369
207 HG3 ARG 33 2HG ARG 33 5.592 6.912 2.542
208 HD2 ARG 33 1HD ARG 33 6.778 7.365 4.609
209 HD3 ARG 33 2HD ARG 33 7.822 7.681 3.223
210 HE ARG 33 HE ARG 33 7.912 9.881 3.842
211 HH11 ARG 33 1HH1 ARG 33 5.255 8.346 5.486
212 HH12 ARG 33 2HH1 ARG 33 4.920 9.713 6.496
213 HH21 ARG 33 1HH2 ARG 33 7.481 11.687 5.166
214 HH22 ARG 33 2HH2 ARG 33 6.186 11.614 6.313
215 H ILE 34 H ILE 34 6.681 5.659 1.324
216 HA ILE 34 HA ILE 34 9.127 5.680 2.677
217 HB ILE 34 HB ILE 34 8.935 3.345 2.892
218 HG12 ILE 34 1HG1 ILE 34 7.080 3.340 0.501
219 HG13 ILE 34 2HG1 ILE 34 8.774 2.863 0.460
220 HG21 ILE 34 1HG2 ILE 34 6.106 3.410 2.690
221 HG22 ILE 34 2HG2 ILE 34 7.110 3.576 4.130
222 HG23 ILE 34 3HG2 ILE 34 6.654 5.005 3.202
223 HD11 ILE 34 3HD1 ILE 34 6.420 1.428 1.506
224 HD12 ILE 34 1HD1 ILE 34 7.859 0.816 0.690
225 HD13 ILE 34 2HD1 ILE 34 7.929 1.243 2.400
226 H HIS 35 H HIS 35 8.440 5.478 -0.676
227 HA HIS 35 HA HIS 35 11.085 4.400 -1.304
228 HB2 HIS 35 1HB HIS 35 8.778 5.092 -3.135
229 HB3 HIS 35 2HB HIS 35 10.279 4.312 -3.626
230 HD1 HIS 35 HD1 HIS 35 10.702 1.901 -2.385
231 HD2 HIS 35 HD2 HIS 35 6.811 3.355 -2.461
232 HE1 HIS 35 HE1 HIS 35 9.232 -0.086 -1.921
233 H THR 36 H THR 36 9.215 7.345 -1.457
234 HA THR 36 HA THR 36 11.595 8.743 -2.493
235 HB THR 36 HB THR 36 9.881 8.813 -4.198
236 HG1 THR 36 HG1 THR 36 9.652 11.366 -3.046
237 HG21 THR 36 3HG2 THR 36 8.004 8.491 -2.459
238 HG22 THR 36 1HG2 THR 36 7.670 9.496 -3.868
239 HG23 THR 36 2HG2 THR 36 8.035 10.248 -2.315
240 H GLY 37 H GLY 37 12.479 9.641 -0.719
241 HA2 GLY 37 1HA GLY 37 12.142 11.836 0.507
242 HA3 GLY 37 2HA GLY 37 10.682 11.081 1.129
243 H GLU 38 H GLU 38 11.887 8.458 1.444
244 HA GLU 38 HA GLU 38 12.738 8.619 4.082
245 HB2 GLU 38 1HB GLU 38 11.980 6.584 2.581
246 HB3 GLU 38 2HB GLU 38 13.712 6.379 2.362
247 HG2 GLU 38 1HG GLU 38 12.421 6.562 5.067
248 HG3 GLU 38 2HG GLU 38 12.654 5.039 4.211
249 H LYS 39 H LYS 39 14.436 9.403 1.267
250 HA LYS 39 HA LYS 39 16.763 10.168 2.688
251 HB2 LYS 39 1HB LYS 39 18.384 8.643 1.727
252 HB3 LYS 39 2HB LYS 39 17.172 7.731 2.616
253 HG2 LYS 39 1HG LYS 39 16.015 7.426 0.352
254 HG3 LYS 39 2HG LYS 39 17.545 7.961 -0.347
255 HD2 LYS 39 1HD LYS 39 18.545 6.135 1.259
256 HD3 LYS 39 2HD LYS 39 16.911 5.472 1.171
257 HE2 LYS 39 1HE LYS 39 17.193 5.726 -1.382
258 HE3 LYS 39 2HE LYS 39 18.914 5.859 -1.025
259 HZ1 LYS 39 3HZ LYS 39 18.283 3.582 -1.532
260 HZ2 LYS 39 1HZ LYS 39 17.167 3.582 -0.261
261 HZ3 LYS 39 2HZ LYS 39 18.821 3.709 0.067
262 HA PRO 40 HA PRO 40 16.936 12.797 -0.842
263 HB2 PRO 40 1HB PRO 40 19.446 13.777 -0.508
264 HB3 PRO 40 2HB PRO 40 18.081 14.269 0.502
265 HG2 PRO 40 1HG PRO 40 20.237 12.273 1.074
266 HG3 PRO 40 2HG PRO 40 19.543 13.507 2.141
267 HD2 PRO 40 1HD PRO 40 18.820 10.901 2.265
268 HD3 PRO 40 2HD PRO 40 17.693 12.223 2.632
269 H SER 41 H SER 41 19.021 10.115 -0.370
270 HA SER 41 HA SER 41 20.798 10.263 -2.476
271 HB2 SER 41 1HB SER 41 20.799 8.471 -0.767
272 HB3 SER 41 2HB SER 41 19.362 7.776 -1.515
273 HG SER 41 HG SER 41 21.254 6.748 -2.252
274 H GLY 42 H GLY 42 17.558 8.764 -2.532
275 HA2 GLY 42 1HA GLY 42 16.326 9.629 -4.644
276 HA3 GLY 42 2HA GLY 42 17.654 8.826 -5.470
277 HA PRO 43 HA PRO 43 15.098 5.241 -5.578
278 HB2 PRO 43 1HB PRO 43 17.011 3.423 -6.214
279 HB3 PRO 43 2HB PRO 43 16.365 4.585 -7.379
280 HG2 PRO 43 1HG PRO 43 18.905 4.698 -5.799
281 HG3 PRO 43 2HG PRO 43 18.629 5.101 -7.504
282 HD2 PRO 43 1HD PRO 43 18.805 6.989 -5.570
283 HD3 PRO 43 2HD PRO 43 17.775 7.183 -7.003
284 H SER 44 H SER 44 14.493 3.595 -4.237
285 HA SER 44 HA SER 44 16.332 2.808 -2.087
286 HB2 SER 44 1HB SER 44 14.733 3.148 -0.382
287 HB3 SER 44 2HB SER 44 14.636 4.602 -1.375
288 HG SER 44 HG SER 44 12.913 2.352 -1.562
289 H SER 45 H SER 45 16.304 0.686 -1.591
290 HA SER 45 HA SER 45 14.533 -1.020 -3.173
291 HB2 SER 45 1HB SER 45 17.178 -1.409 -1.829
292 HB3 SER 45 2HB SER 45 16.160 -2.817 -2.128
293 HG SER 45 HG SER 45 17.747 -1.599 -3.833
294 H GLY 46 H GLY 46 12.620 -0.830 -1.973
295 HA2 GLY 46 1HA GLY 46 12.722 -1.865 0.785
296 HA3 GLY 46 2HA GLY 46 11.429 -0.876 0.123
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -0.269 -20.615 -26.943
2 HA2 GLY 1 1HA GLY 1 0.351 -20.851 -24.228
3 HA3 GLY 1 2HA GLY 1 1.514 -20.515 -25.502
4 H SER 2 H SER 2 -0.547 -19.137 -23.051
5 HA SER 2 HA SER 2 1.111 -16.748 -23.030
6 HB2 SER 2 1HB SER 2 -1.832 -16.746 -23.635
7 HB3 SER 2 2HB SER 2 -1.088 -15.369 -22.825
8 HG SER 2 HG SER 2 -1.045 -15.029 -25.041
9 H SER 3 H SER 3 0.747 -15.420 -21.095
10 HA SER 3 HA SER 3 -0.135 -17.097 -18.844
11 HB2 SER 3 1HB SER 3 1.371 -15.727 -17.450
12 HB3 SER 3 2HB SER 3 2.241 -16.494 -18.779
13 HG SER 3 HG SER 3 2.027 -14.479 -19.914
14 H GLY 4 H GLY 4 -1.686 -16.405 -17.476
15 HA2 GLY 4 1HA GLY 4 -3.180 -14.041 -18.243
16 HA3 GLY 4 2HA GLY 4 -3.647 -15.225 -17.032
17 H SER 5 H SER 5 -3.893 -14.255 -15.138
18 HA SER 5 HA SER 5 -2.340 -11.900 -14.468
19 HB2 SER 5 1HB SER 5 -4.719 -13.286 -13.301
20 HB3 SER 5 2HB SER 5 -3.774 -12.213 -12.268
21 HG SER 5 HG SER 5 -5.544 -11.594 -14.212
22 H SER 6 H SER 6 -2.948 -15.081 -12.978
23 HA SER 6 HA SER 6 -1.716 -16.358 -11.554
24 HB2 SER 6 1HB SER 6 0.355 -14.955 -13.187
25 HB3 SER 6 2HB SER 6 0.883 -15.866 -11.772
26 HG SER 6 HG SER 6 -0.473 -16.800 -14.068
27 H GLY 7 H GLY 7 -2.862 -14.071 -10.443
28 HA2 GLY 7 1HA GLY 7 -1.228 -13.788 -8.090
29 HA3 GLY 7 2HA GLY 7 -1.354 -12.303 -9.023
30 H THR 8 H THR 8 -2.267 -12.515 -6.397
31 HA THR 8 HA THR 8 -5.191 -12.629 -6.669
32 HB THR 8 HB THR 8 -4.206 -14.007 -4.867
33 HG1 THR 8 HG1 THR 8 -6.296 -12.610 -4.737
34 HG21 THR 8 3HG2 THR 8 -2.806 -13.221 -3.274
35 HG22 THR 8 1HG2 THR 8 -3.618 -11.659 -3.182
36 HG23 THR 8 2HG2 THR 8 -2.462 -11.978 -4.476
37 H GLY 9 H GLY 9 -3.841 -10.415 -7.770
38 HA2 GLY 9 1HA GLY 9 -4.406 -8.262 -5.838
39 HA3 GLY 9 2HA GLY 9 -3.359 -8.110 -7.241
40 H GLU 10 H GLU 10 -6.302 -7.288 -6.030
41 HA GLU 10 HA GLU 10 -7.429 -6.948 -8.731
42 HB2 GLU 10 1HB GLU 10 -8.729 -8.601 -7.493
43 HB3 GLU 10 2HB GLU 10 -8.922 -7.476 -6.156
44 HG2 GLU 10 1HG GLU 10 -10.920 -7.186 -7.187
45 HG3 GLU 10 2HG GLU 10 -9.977 -5.960 -8.033
46 H LYS 11 H LYS 11 -6.719 -5.561 -5.637
47 HA LYS 11 HA LYS 11 -8.259 -3.272 -5.613
48 HB2 LYS 11 1HB LYS 11 -5.527 -3.923 -4.582
49 HB3 LYS 11 2HB LYS 11 -6.096 -2.261 -4.500
50 HG2 LYS 11 1HG LYS 11 -7.728 -2.748 -2.964
51 HG3 LYS 11 2HG LYS 11 -7.840 -4.439 -3.458
52 HD2 LYS 11 1HD LYS 11 -5.321 -3.416 -2.215
53 HD3 LYS 11 2HD LYS 11 -6.705 -3.811 -1.193
54 HE2 LYS 11 1HE LYS 11 -6.715 -6.043 -2.517
55 HE3 LYS 11 2HE LYS 11 -5.061 -5.604 -2.938
56 HZ1 LYS 11 3HZ LYS 11 -5.219 -7.021 -0.948
57 HZ2 LYS 11 1HZ LYS 11 -6.087 -5.802 -0.159
58 HZ3 LYS 11 2HZ LYS 11 -4.485 -5.532 -0.627
59 HA PRO 12 HA PRO 12 -6.947 -0.960 -9.134
60 HB2 PRO 12 1HB PRO 12 -7.888 1.470 -8.375
61 HB3 PRO 12 2HB PRO 12 -8.940 0.166 -8.939
62 HG2 PRO 12 1HG PRO 12 -8.328 1.029 -6.138
63 HG3 PRO 12 2HG PRO 12 -9.886 0.577 -6.855
64 HD2 PRO 12 1HD PRO 12 -8.440 -1.122 -5.321
65 HD3 PRO 12 2HD PRO 12 -9.463 -1.680 -6.660
66 H PHE 13 H PHE 13 -6.006 -0.156 -5.880
67 HA PHE 13 HA PHE 13 -3.766 1.441 -6.934
68 HB2 PHE 13 1HB PHE 13 -5.043 1.566 -4.194
69 HB3 PHE 13 2HB PHE 13 -3.674 2.534 -4.728
70 HD1 PHE 13 HD1 PHE 13 -4.056 4.035 -6.793
71 HD2 PHE 13 HD2 PHE 13 -7.196 2.363 -4.455
72 HE1 PHE 13 HE1 PHE 13 -5.600 5.749 -7.647
73 HE2 PHE 13 HE2 PHE 13 -8.745 4.075 -5.307
74 HZ PHE 13 HZ PHE 13 -7.948 5.770 -6.906
75 H GLU 14 H GLU 14 -1.984 0.243 -7.020
76 HA GLU 14 HA GLU 14 -1.174 -1.238 -4.638
77 HB2 GLU 14 1HB GLU 14 -0.346 -3.030 -6.437
78 HB3 GLU 14 2HB GLU 14 -1.920 -3.131 -5.659
79 HG2 GLU 14 1HG GLU 14 -3.013 -2.219 -7.555
80 HG3 GLU 14 2HG GLU 14 -1.480 -1.778 -8.305
81 H CYS 15 H CYS 15 1.036 -1.390 -4.356
82 HA CYS 15 HA CYS 15 2.606 0.479 -5.916
83 HB2 CYS 15 1HB CYS 15 2.730 0.377 -3.419
84 HB3 CYS 15 2HB CYS 15 3.465 -1.216 -3.564
85 H ALA 16 H ALA 16 4.239 -0.002 -7.292
86 HA ALA 16 HA ALA 16 4.640 -2.852 -7.910
87 HB1 ALA 16 3HB ALA 16 5.545 -0.800 -9.833
88 HB2 ALA 16 1HB ALA 16 4.756 -2.352 -10.113
89 HB3 ALA 16 2HB ALA 16 3.803 -0.956 -9.607
90 H GLU 17 H GLU 17 6.028 -1.559 -5.760
91 HA GLU 17 HA GLU 17 8.781 -1.679 -6.803
92 HB2 GLU 17 1HB GLU 17 7.674 0.086 -4.616
93 HB3 GLU 17 2HB GLU 17 9.392 -0.133 -4.918
94 HG2 GLU 17 1HG GLU 17 7.632 0.735 -7.155
95 HG3 GLU 17 2HG GLU 17 8.098 1.903 -5.921
96 H CYS 18 H CYS 18 7.032 -1.823 -3.694
97 HA CYS 18 HA CYS 18 8.904 -3.850 -2.753
98 HB2 CYS 18 1HB CYS 18 7.658 -3.569 -0.581
99 HB3 CYS 18 2HB CYS 18 8.455 -2.114 -1.170
100 H GLY 19 H GLY 19 5.379 -3.438 -3.084
101 HA2 GLY 19 1HA GLY 19 4.247 -5.359 -4.212
102 HA3 GLY 19 2HA GLY 19 5.157 -6.386 -3.114
103 H LYS 20 H LYS 20 3.245 -3.413 -2.663
104 HA LYS 20 HA LYS 20 1.509 -4.900 -0.817
105 HB2 LYS 20 1HB LYS 20 3.156 -2.489 -0.261
106 HB3 LYS 20 2HB LYS 20 1.539 -2.531 0.430
107 HG2 LYS 20 1HG LYS 20 2.085 -4.703 1.476
108 HG3 LYS 20 2HG LYS 20 3.731 -4.551 0.856
109 HD2 LYS 20 1HD LYS 20 2.570 -2.327 2.473
110 HD3 LYS 20 2HD LYS 20 3.141 -3.782 3.294
111 HE2 LYS 20 1HE LYS 20 5.342 -3.499 2.423
112 HE3 LYS 20 2HE LYS 20 4.811 -2.216 1.337
113 HZ1 LYS 20 3HZ LYS 20 5.899 -1.223 3.186
114 HZ2 LYS 20 1HZ LYS 20 4.974 -2.101 4.297
115 HZ3 LYS 20 2HZ LYS 20 4.246 -0.904 3.351
116 H SER 21 H SER 21 -0.569 -4.653 -1.293
117 HA SER 21 HA SER 21 -1.347 -2.463 -3.081
118 HB2 SER 21 1HB SER 21 -3.510 -3.896 -3.216
119 HB3 SER 21 2HB SER 21 -2.058 -4.482 -4.028
120 HG SER 21 HG SER 21 -2.502 -5.244 -1.373
121 H PHE 22 H PHE 22 -3.514 -1.493 -2.721
122 HA PHE 22 HA PHE 22 -4.298 -1.404 0.103
123 HB2 PHE 22 1HB PHE 22 -3.722 1.008 -1.629
124 HB3 PHE 22 2HB PHE 22 -4.497 1.078 -0.049
125 HD1 PHE 22 HD2 PHE 22 -3.231 0.635 1.979
126 HD2 PHE 22 HD1 PHE 22 -1.367 0.588 -1.847
127 HE1 PHE 22 HE2 PHE 22 -1.023 0.755 3.057
128 HE2 PHE 22 HE1 PHE 22 0.844 0.707 -0.775
129 HZ PHE 22 HZ PHE 22 1.018 0.792 1.680
130 H SER 23 H SER 23 -6.369 0.038 0.284
131 HA SER 23 HA SER 23 -8.254 -1.042 -1.661
132 HB2 SER 23 1HB SER 23 -8.594 -1.225 0.856
133 HB3 SER 23 2HB SER 23 -8.922 0.508 0.844
134 HG SER 23 HG SER 23 -10.304 -1.110 -0.967
135 H ILE 24 H ILE 24 -7.396 2.087 -0.211
136 HA ILE 24 HA ILE 24 -8.770 3.415 -2.454
137 HB ILE 24 HB ILE 24 -8.681 5.462 -0.944
138 HG12 ILE 24 1HG1 ILE 24 -8.152 3.339 1.148
139 HG13 ILE 24 2HG1 ILE 24 -7.002 4.569 0.634
140 HG21 ILE 24 1HG2 ILE 24 -10.479 3.995 0.617
141 HG22 ILE 24 2HG2 ILE 24 -10.833 4.926 -0.838
142 HG23 ILE 24 3HG2 ILE 24 -10.462 3.206 -0.960
143 HD11 ILE 24 3HD1 ILE 24 -7.803 5.939 2.165
144 HD12 ILE 24 1HD1 ILE 24 -9.385 5.888 1.387
145 HD13 ILE 24 2HD1 ILE 24 -8.985 4.722 2.649
146 H SER 25 H SER 25 -7.753 5.774 -2.684
147 HA SER 25 HA SER 25 -5.065 5.322 -3.604
148 HB2 SER 25 1HB SER 25 -6.549 6.669 -4.968
149 HB3 SER 25 2HB SER 25 -6.810 7.796 -3.636
150 HG SER 25 HG SER 25 -4.854 7.783 -5.467
151 H SER 26 H SER 26 -6.511 7.731 -1.403
152 HA SER 26 HA SER 26 -4.371 9.029 -0.442
153 HB2 SER 26 1HB SER 26 -6.551 9.525 0.436
154 HB3 SER 26 2HB SER 26 -6.684 7.923 1.161
155 HG SER 26 HG SER 26 -4.822 8.547 2.460
156 H GLN 27 H GLN 27 -5.291 5.739 0.439
157 HA GLN 27 HA GLN 27 -3.315 5.388 2.440
158 HB2 GLN 27 1HB GLN 27 -4.991 3.495 0.815
159 HB3 GLN 27 2HB GLN 27 -3.754 2.895 1.911
160 HG2 GLN 27 1HG GLN 27 -5.968 4.735 2.771
161 HG3 GLN 27 2HG GLN 27 -6.083 2.977 2.832
162 HE21 GLN 27 1HE2 GLN 27 -5.662 5.492 4.731
163 HE22 GLN 27 2HE2 GLN 27 -4.583 4.848 5.916
164 H LEU 28 H LEU 28 -3.436 4.497 -0.996
165 HA LEU 28 HA LEU 28 -0.932 3.236 -1.113
166 HB2 LEU 28 1HB LEU 28 -2.472 2.904 -2.887
167 HB3 LEU 28 2HB LEU 28 -2.589 4.635 -3.197
168 HG LEU 28 HG LEU 28 -0.214 4.582 -3.968
169 HD11 LEU 28 1HD1 LEU 28 0.189 2.372 -2.693
170 HD12 LEU 28 2HD1 LEU 28 0.966 2.611 -4.257
171 HD13 LEU 28 3HD1 LEU 28 -0.479 1.607 -4.135
172 HD21 LEU 28 3HD2 LEU 28 -2.494 4.041 -5.328
173 HD22 LEU 28 1HD2 LEU 28 -1.530 2.613 -5.706
174 HD23 LEU 28 2HD2 LEU 28 -0.906 4.220 -6.076
175 H ALA 29 H ALA 29 -1.843 6.566 -1.998
176 HA ALA 29 HA ALA 29 0.626 7.534 -2.738
177 HB1 ALA 29 3HB ALA 29 -0.828 9.196 -3.105
178 HB2 ALA 29 1HB ALA 29 -1.878 8.698 -1.777
179 HB3 ALA 29 2HB ALA 29 -0.455 9.689 -1.453
180 H THR 30 H THR 30 -0.796 7.727 0.530
181 HA THR 30 HA THR 30 1.338 8.868 1.854
182 HB THR 30 HB THR 30 -0.386 6.709 3.069
183 HG1 THR 30 HG1 THR 30 -1.032 9.472 2.990
184 HG21 THR 30 3HG2 THR 30 0.065 8.974 4.738
185 HG22 THR 30 1HG2 THR 30 1.617 8.438 4.095
186 HG23 THR 30 2HG2 THR 30 0.591 7.308 4.979
187 H HIS 31 H HIS 31 1.098 5.723 0.510
188 HA HIS 31 HA HIS 31 3.290 4.667 2.116
189 HB2 HIS 31 1HB HIS 31 1.762 2.965 1.788
190 HB3 HIS 31 2HB HIS 31 1.345 3.508 0.166
191 HD1 HIS 31 HD1 HIS 31 3.328 1.042 1.935
192 HD2 HIS 31 HD2 HIS 31 3.459 2.887 -1.785
193 HE1 HIS 31 HE1 HIS 31 4.830 -0.398 0.523
194 H GLN 32 H GLN 32 2.565 5.347 -1.298
195 HA GLN 32 HA GLN 32 4.948 4.601 -2.453
196 HB2 GLN 32 1HB GLN 32 2.944 6.727 -3.102
197 HB3 GLN 32 2HB GLN 32 4.436 6.639 -4.029
198 HG2 GLN 32 1HG GLN 32 3.933 4.398 -4.728
199 HG3 GLN 32 2HG GLN 32 2.515 4.351 -3.683
200 HE21 GLN 32 1HE2 GLN 32 3.035 4.201 -6.687
201 HE22 GLN 32 2HE2 GLN 32 1.875 5.293 -7.354
202 H ARG 33 H ARG 33 4.264 7.385 -0.478
203 HA ARG 33 HA ARG 33 6.349 9.081 -1.133
204 HB2 ARG 33 1HB ARG 33 6.168 9.946 1.166
205 HB3 ARG 33 2HB ARG 33 4.591 9.721 0.421
206 HG2 ARG 33 1HG ARG 33 4.156 8.808 2.447
207 HG3 ARG 33 2HG ARG 33 4.775 7.370 1.633
208 HD2 ARG 33 1HD ARG 33 6.846 7.513 2.698
209 HD3 ARG 33 2HD ARG 33 6.610 9.206 3.130
210 HE ARG 33 HE ARG 33 4.711 7.444 4.363
211 HH11 ARG 33 1HH1 ARG 33 7.906 8.808 4.601
212 HH12 ARG 33 2HH1 ARG 33 8.003 8.613 6.320
213 HH21 ARG 33 1HH2 ARG 33 4.827 7.183 6.626
214 HH22 ARG 33 2HH2 ARG 33 6.251 7.689 7.471
215 H ILE 34 H ILE 34 6.393 6.105 0.687
216 HA ILE 34 HA ILE 34 8.822 6.336 2.021
217 HB ILE 34 HB ILE 34 8.860 3.969 2.203
218 HG12 ILE 34 1HG1 ILE 34 7.070 3.986 -0.230
219 HG13 ILE 34 2HG1 ILE 34 8.679 3.288 -0.085
220 HG21 ILE 34 1HG2 ILE 34 6.043 3.807 2.167
221 HG22 ILE 34 2HG2 ILE 34 7.100 4.109 3.545
222 HG23 ILE 34 3HG2 ILE 34 6.464 5.462 2.610
223 HD11 ILE 34 3HD1 ILE 34 7.173 2.024 1.880
224 HD12 ILE 34 1HD1 ILE 34 6.113 2.119 0.474
225 HD13 ILE 34 2HD1 ILE 34 7.695 1.353 0.335
226 H HIS 35 H HIS 35 8.168 5.143 -1.260
227 HA HIS 35 HA HIS 35 10.946 4.691 -1.827
228 HB2 HIS 35 1HB HIS 35 8.663 4.864 -3.798
229 HB3 HIS 35 2HB HIS 35 10.221 4.081 -4.040
230 HD1 HIS 35 HD1 HIS 35 10.634 1.881 -2.559
231 HD2 HIS 35 HD2 HIS 35 6.720 3.264 -2.735
232 HE1 HIS 35 HE1 HIS 35 9.207 -0.038 -1.779
233 H THR 36 H THR 36 8.699 7.312 -2.192
234 HA THR 36 HA THR 36 10.621 8.811 -3.828
235 HB THR 36 HB THR 36 7.969 9.975 -3.148
236 HG1 THR 36 HG1 THR 36 7.172 8.041 -3.742
237 HG21 THR 36 3HG2 THR 36 9.491 9.816 -5.749
238 HG22 THR 36 1HG2 THR 36 9.666 11.119 -4.574
239 HG23 THR 36 2HG2 THR 36 8.119 10.860 -5.380
240 H GLY 37 H GLY 37 12.125 9.576 -2.403
241 HA2 GLY 37 1HA GLY 37 11.198 11.649 -0.570
242 HA3 GLY 37 2HA GLY 37 12.095 10.315 0.142
243 H GLU 38 H GLU 38 14.294 9.955 -0.588
244 HA GLU 38 HA GLU 38 15.579 12.491 -1.323
245 HB2 GLU 38 1HB GLU 38 16.772 10.032 -0.029
246 HB3 GLU 38 2HB GLU 38 17.619 11.540 -0.343
247 HG2 GLU 38 1HG GLU 38 15.224 11.270 1.459
248 HG3 GLU 38 2HG GLU 38 16.900 11.268 2.005
249 H LYS 39 H LYS 39 15.015 12.093 -3.583
250 HA LYS 39 HA LYS 39 17.190 11.050 -5.041
251 HB2 LYS 39 1HB LYS 39 16.219 9.130 -6.102
252 HB3 LYS 39 2HB LYS 39 16.099 8.905 -4.362
253 HG2 LYS 39 1HG LYS 39 13.741 9.723 -4.502
254 HG3 LYS 39 2HG LYS 39 13.903 9.693 -6.259
255 HD2 LYS 39 1HD LYS 39 14.600 7.251 -4.694
256 HD3 LYS 39 2HD LYS 39 12.900 7.639 -4.967
257 HE2 LYS 39 1HE LYS 39 14.808 7.665 -7.264
258 HE3 LYS 39 2HE LYS 39 14.204 6.125 -6.655
259 HZ1 LYS 39 3HZ LYS 39 12.667 8.358 -7.835
260 HZ2 LYS 39 1HZ LYS 39 11.918 7.162 -6.902
261 HZ3 LYS 39 2HZ LYS 39 12.721 6.741 -8.329
262 HA PRO 40 HA PRO 40 15.406 13.858 -7.926
263 HB2 PRO 40 1HB PRO 40 16.812 13.143 -10.136
264 HB3 PRO 40 2HB PRO 40 17.520 14.063 -8.803
265 HG2 PRO 40 1HG PRO 40 17.702 11.133 -9.390
266 HG3 PRO 40 2HG PRO 40 18.975 12.249 -8.862
267 HD2 PRO 40 1HD PRO 40 17.718 10.562 -7.157
268 HD3 PRO 40 2HD PRO 40 18.315 12.157 -6.655
269 H SER 41 H SER 41 13.528 13.784 -8.977
270 HA SER 41 HA SER 41 12.652 11.234 -10.127
271 HB2 SER 41 1HB SER 41 10.383 12.360 -10.143
272 HB3 SER 41 2HB SER 41 11.082 12.100 -8.544
273 HG SER 41 HG SER 41 10.185 14.237 -8.918
274 H GLY 42 H GLY 42 12.916 10.973 -12.238
275 HA2 GLY 42 1HA GLY 42 12.213 13.157 -14.045
276 HA3 GLY 42 2HA GLY 42 13.857 12.544 -14.149
277 HA PRO 43 HA PRO 43 10.751 9.083 -15.597
278 HB2 PRO 43 1HB PRO 43 8.390 10.045 -16.531
279 HB3 PRO 43 2HB PRO 43 8.627 9.546 -14.852
280 HG2 PRO 43 1HG PRO 43 8.671 12.296 -16.034
281 HG3 PRO 43 2HG PRO 43 7.922 11.737 -14.527
282 HD2 PRO 43 1HD PRO 43 10.302 13.027 -14.580
283 HD3 PRO 43 2HD PRO 43 9.915 11.787 -13.370
284 H SER 44 H SER 44 9.698 8.682 -17.860
285 HA SER 44 HA SER 44 11.413 9.056 -19.865
286 HB2 SER 44 1HB SER 44 9.449 7.738 -20.248
287 HB3 SER 44 2HB SER 44 8.397 9.140 -20.053
288 HG SER 44 HG SER 44 8.649 8.751 -22.235
289 H SER 45 H SER 45 8.721 11.327 -19.299
290 HA SER 45 HA SER 45 10.132 13.322 -20.919
291 HB2 SER 45 1HB SER 45 7.269 12.977 -20.078
292 HB3 SER 45 2HB SER 45 7.857 14.559 -20.591
293 HG SER 45 HG SER 45 8.731 13.101 -22.447
294 H GLY 46 H GLY 46 10.957 15.151 -20.076
295 HA2 GLY 46 1HA GLY 46 11.350 15.351 -17.275
296 HA3 GLY 46 2HA GLY 46 11.779 16.570 -18.466
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -3.193 -12.113 -17.568
2 HA2 GLY 1 1HA GLY 1 -4.880 -12.906 -19.047
3 HA3 GLY 1 2HA GLY 1 -4.416 -14.321 -18.113
4 H SER 2 H SER 2 -6.294 -15.411 -17.954
5 HA SER 2 HA SER 2 -8.797 -14.099 -17.465
6 HB2 SER 2 1HB SER 2 -9.781 -16.252 -17.599
7 HB3 SER 2 2HB SER 2 -8.444 -16.285 -18.748
8 HG SER 2 HG SER 2 -7.325 -17.090 -16.617
9 H SER 3 H SER 3 -10.136 -14.369 -15.615
10 HA SER 3 HA SER 3 -8.609 -14.842 -13.139
11 HB2 SER 3 1HB SER 3 -10.988 -13.020 -13.583
12 HB3 SER 3 2HB SER 3 -10.166 -13.269 -12.043
13 HG SER 3 HG SER 3 -8.219 -12.602 -13.411
14 H GLY 4 H GLY 4 -9.560 -16.006 -11.465
15 HA2 GLY 4 1HA GLY 4 -11.216 -18.145 -12.187
16 HA3 GLY 4 2HA GLY 4 -10.859 -17.654 -10.538
17 H SER 5 H SER 5 -13.063 -18.340 -10.092
18 HA SER 5 HA SER 5 -15.153 -16.575 -11.126
19 HB2 SER 5 1HB SER 5 -15.139 -19.228 -9.739
20 HB3 SER 5 2HB SER 5 -16.583 -18.220 -9.645
21 HG SER 5 HG SER 5 -15.308 -19.184 -11.989
22 H SER 6 H SER 6 -13.775 -17.656 -8.041
23 HA SER 6 HA SER 6 -15.394 -15.938 -6.446
24 HB2 SER 6 1HB SER 6 -14.230 -18.055 -5.666
25 HB3 SER 6 2HB SER 6 -12.731 -17.126 -5.654
26 HG SER 6 HG SER 6 -15.066 -16.368 -4.235
27 H GLY 7 H GLY 7 -15.142 -13.852 -5.961
28 HA2 GLY 7 1HA GLY 7 -12.527 -12.606 -5.997
29 HA3 GLY 7 2HA GLY 7 -13.615 -12.053 -7.262
30 H THR 8 H THR 8 -15.814 -11.336 -6.471
31 HA THR 8 HA THR 8 -16.893 -9.630 -5.378
32 HB THR 8 HB THR 8 -17.248 -10.075 -2.952
33 HG1 THR 8 HG1 THR 8 -16.049 -11.528 -1.921
34 HG21 THR 8 3HG2 THR 8 -17.615 -12.774 -3.908
35 HG22 THR 8 1HG2 THR 8 -18.052 -11.603 -5.151
36 HG23 THR 8 2HG2 THR 8 -18.821 -11.535 -3.566
37 H GLY 9 H GLY 9 -14.252 -8.902 -6.000
38 HA2 GLY 9 1HA GLY 9 -13.894 -6.614 -4.468
39 HA3 GLY 9 2HA GLY 9 -12.856 -7.845 -3.765
40 H GLU 10 H GLU 10 -12.000 -5.404 -4.988
41 HA GLU 10 HA GLU 10 -10.131 -6.526 -6.897
42 HB2 GLU 10 1HB GLU 10 -12.264 -4.581 -7.642
43 HB3 GLU 10 2HB GLU 10 -10.673 -4.377 -8.363
44 HG2 GLU 10 1HG GLU 10 -12.567 -6.680 -8.628
45 HG3 GLU 10 2HG GLU 10 -11.867 -5.671 -9.893
46 H LYS 11 H LYS 11 -8.171 -5.696 -6.573
47 HA LYS 11 HA LYS 11 -7.962 -3.231 -4.981
48 HB2 LYS 11 1HB LYS 11 -5.987 -5.491 -5.345
49 HB3 LYS 11 2HB LYS 11 -5.686 -4.038 -4.401
50 HG2 LYS 11 1HG LYS 11 -7.399 -4.622 -2.835
51 HG3 LYS 11 2HG LYS 11 -7.913 -5.982 -3.837
52 HD2 LYS 11 1HD LYS 11 -5.162 -5.732 -2.629
53 HD3 LYS 11 2HD LYS 11 -6.494 -6.603 -1.866
54 HE2 LYS 11 1HE LYS 11 -6.656 -8.022 -3.895
55 HE3 LYS 11 2HE LYS 11 -5.237 -7.201 -4.542
56 HZ1 LYS 11 3HZ LYS 11 -4.075 -7.943 -2.447
57 HZ2 LYS 11 1HZ LYS 11 -4.455 -9.163 -3.556
58 HZ3 LYS 11 2HZ LYS 11 -5.398 -8.960 -2.167
59 HA PRO 12 HA PRO 12 -6.526 -1.914 -9.144
60 HB2 PRO 12 1HB PRO 12 -7.447 0.627 -8.886
61 HB3 PRO 12 2HB PRO 12 -8.463 -0.713 -9.432
62 HG2 PRO 12 1HG PRO 12 -8.256 0.522 -6.713
63 HG3 PRO 12 2HG PRO 12 -9.703 0.019 -7.606
64 HD2 PRO 12 1HD PRO 12 -8.607 -1.486 -5.639
65 HD3 PRO 12 2HD PRO 12 -9.434 -2.199 -7.039
66 H PHE 13 H PHE 13 -6.023 -0.761 -5.914
67 HA PHE 13 HA PHE 13 -3.744 0.876 -6.766
68 HB2 PHE 13 1HB PHE 13 -5.080 0.661 -4.059
69 HB3 PHE 13 2HB PHE 13 -3.758 1.752 -4.463
70 HD1 PHE 13 HD1 PHE 13 -4.262 3.247 -6.624
71 HD2 PHE 13 HD2 PHE 13 -7.193 1.537 -4.055
72 HE1 PHE 13 HE1 PHE 13 -5.885 4.949 -7.349
73 HE2 PHE 13 HE2 PHE 13 -8.821 3.235 -4.776
74 HZ PHE 13 HZ PHE 13 -8.168 4.943 -6.425
75 H GLU 14 H GLU 14 -2.259 -0.753 -7.233
76 HA GLU 14 HA GLU 14 -1.280 -2.232 -4.880
77 HB2 GLU 14 1HB GLU 14 -2.406 -3.666 -6.625
78 HB3 GLU 14 2HB GLU 14 -1.120 -3.208 -7.732
79 HG2 GLU 14 1HG GLU 14 0.504 -4.134 -6.045
80 HG3 GLU 14 2HG GLU 14 -0.891 -4.798 -5.195
81 H CYS 15 H CYS 15 0.573 -1.343 -4.263
82 HA CYS 15 HA CYS 15 2.187 0.356 -5.739
83 HB2 CYS 15 1HB CYS 15 2.241 0.005 -3.245
84 HB3 CYS 15 2HB CYS 15 3.161 -1.468 -3.534
85 H ALA 16 H ALA 16 3.467 0.042 -7.426
86 HA ALA 16 HA ALA 16 4.308 -2.685 -8.087
87 HB1 ALA 16 3HB ALA 16 3.871 -2.124 -10.187
88 HB2 ALA 16 1HB ALA 16 3.337 -0.539 -9.627
89 HB3 ALA 16 2HB ALA 16 5.018 -0.787 -10.103
90 H GLU 17 H GLU 17 5.650 -1.401 -5.956
91 HA GLU 17 HA GLU 17 8.323 -1.049 -7.144
92 HB2 GLU 17 1HB GLU 17 7.092 0.397 -4.799
93 HB3 GLU 17 2HB GLU 17 8.818 0.406 -5.131
94 HG2 GLU 17 1HG GLU 17 6.776 1.309 -7.137
95 HG3 GLU 17 2HG GLU 17 7.501 2.393 -5.951
96 H CYS 18 H CYS 18 6.679 -1.805 -4.070
97 HA CYS 18 HA CYS 18 8.875 -3.645 -3.422
98 HB2 CYS 18 1HB CYS 18 7.960 -3.569 -1.108
99 HB3 CYS 18 2HB CYS 18 8.469 -1.993 -1.705
100 H GLY 19 H GLY 19 5.324 -3.441 -3.437
101 HA2 GLY 19 1HA GLY 19 4.277 -5.434 -4.571
102 HA3 GLY 19 2HA GLY 19 5.256 -6.394 -3.473
103 H LYS 20 H LYS 20 3.166 -3.533 -3.077
104 HA LYS 20 HA LYS 20 1.637 -5.050 -1.069
105 HB2 LYS 20 1HB LYS 20 2.841 -2.313 -0.870
106 HB3 LYS 20 2HB LYS 20 1.369 -2.682 0.017
107 HG2 LYS 20 1HG LYS 20 2.435 -4.329 1.312
108 HG3 LYS 20 2HG LYS 20 3.836 -4.376 0.240
109 HD2 LYS 20 1HD LYS 20 4.354 -2.039 0.898
110 HD3 LYS 20 2HD LYS 20 3.019 -2.105 2.052
111 HE2 LYS 20 1HE LYS 20 4.118 -3.571 3.443
112 HE3 LYS 20 2HE LYS 20 5.119 -4.219 2.144
113 HZ1 LYS 20 3HZ LYS 20 6.192 -1.932 2.119
114 HZ2 LYS 20 1HZ LYS 20 6.558 -2.936 3.430
115 HZ3 LYS 20 2HZ LYS 20 5.445 -1.676 3.615
116 H SER 21 H SER 21 -0.464 -3.781 -0.525
117 HA SER 21 HA SER 21 -1.571 -2.485 -2.907
118 HB2 SER 21 1HB SER 21 -3.096 -4.670 -1.494
119 HB3 SER 21 2HB SER 21 -3.451 -3.922 -3.051
120 HG SER 21 HG SER 21 -2.360 -6.100 -2.965
121 H PHE 22 H PHE 22 -3.829 -1.625 -2.423
122 HA PHE 22 HA PHE 22 -4.330 -1.018 0.370
123 HB2 PHE 22 1HB PHE 22 -3.840 1.207 -1.619
124 HB3 PHE 22 2HB PHE 22 -4.294 1.399 0.071
125 HD1 PHE 22 HD1 PHE 22 -1.594 0.548 -2.243
126 HD2 PHE 22 HD2 PHE 22 -2.686 1.079 1.837
127 HE1 PHE 22 HE1 PHE 22 0.785 0.592 -1.615
128 HE2 PHE 22 HE2 PHE 22 -0.309 1.125 2.470
129 HZ PHE 22 HZ PHE 22 1.430 0.882 0.744
130 H SER 23 H SER 23 -6.367 0.242 0.639
131 HA SER 23 HA SER 23 -8.380 -0.832 -1.122
132 HB2 SER 23 1HB SER 23 -8.716 1.025 1.246
133 HB3 SER 23 2HB SER 23 -9.983 0.078 0.466
134 HG SER 23 HG SER 23 -7.691 -1.130 1.594
135 H ILE 24 H ILE 24 -7.363 2.430 -0.125
136 HA ILE 24 HA ILE 24 -8.633 3.468 -2.575
137 HB ILE 24 HB ILE 24 -8.872 5.635 -1.391
138 HG12 ILE 24 1HG1 ILE 24 -8.468 4.245 1.220
139 HG13 ILE 24 2HG1 ILE 24 -7.047 4.807 0.347
140 HG21 ILE 24 1HG2 ILE 24 -10.884 4.559 -1.411
141 HG22 ILE 24 2HG2 ILE 24 -10.267 3.155 -0.541
142 HG23 ILE 24 3HG2 ILE 24 -10.618 4.648 0.330
143 HD11 ILE 24 3HD1 ILE 24 -7.699 6.477 1.920
144 HD12 ILE 24 1HD1 ILE 24 -8.048 7.074 0.298
145 HD13 ILE 24 2HD1 ILE 24 -9.356 6.470 1.315
146 H SER 25 H SER 25 -7.627 5.482 -3.412
147 HA SER 25 HA SER 25 -4.903 5.112 -3.930
148 HB2 SER 25 1HB SER 25 -4.992 7.382 -4.941
149 HB3 SER 25 2HB SER 25 -6.330 6.356 -5.460
150 HG SER 25 HG SER 25 -6.446 8.727 -4.278
151 H SER 26 H SER 26 -6.461 7.633 -1.945
152 HA SER 26 HA SER 26 -4.420 9.066 -0.996
153 HB2 SER 26 1HB SER 26 -6.907 9.012 -0.233
154 HB3 SER 26 2HB SER 26 -6.326 7.927 1.031
155 HG SER 26 HG SER 26 -4.936 10.312 0.609
156 H GLN 27 H GLN 27 -5.306 5.886 0.333
157 HA GLN 27 HA GLN 27 -3.296 5.703 2.253
158 HB2 GLN 27 1HB GLN 27 -4.550 3.464 0.654
159 HB3 GLN 27 2HB GLN 27 -3.654 3.271 2.155
160 HG2 GLN 27 1HG GLN 27 -6.017 5.079 2.113
161 HG3 GLN 27 2HG GLN 27 -6.270 3.334 2.136
162 HE21 GLN 27 1HE2 GLN 27 -6.985 3.017 4.153
163 HE22 GLN 27 2HE2 GLN 27 -6.115 3.430 5.587
164 H LEU 28 H LEU 28 -3.292 4.606 -1.127
165 HA LEU 28 HA LEU 28 -0.757 3.450 -1.163
166 HB2 LEU 28 1HB LEU 28 -2.241 3.088 -2.984
167 HB3 LEU 28 2HB LEU 28 -2.353 4.816 -3.317
168 HG LEU 28 HG LEU 28 -0.026 4.815 -4.085
169 HD11 LEU 28 1HD1 LEU 28 1.173 3.185 -3.044
170 HD12 LEU 28 2HD1 LEU 28 0.808 2.345 -4.551
171 HD13 LEU 28 3HD1 LEU 28 -0.147 2.017 -3.105
172 HD21 LEU 28 3HD2 LEU 28 -0.497 3.008 -5.991
173 HD22 LEU 28 1HD2 LEU 28 -1.314 4.570 -5.934
174 HD23 LEU 28 2HD2 LEU 28 -2.123 3.129 -5.319
175 H ALA 29 H ALA 29 -1.723 6.782 -1.944
176 HA ALA 29 HA ALA 29 0.770 7.785 -2.649
177 HB1 ALA 29 3HB ALA 29 -0.157 10.003 -1.929
178 HB2 ALA 29 1HB ALA 29 -1.170 9.099 -3.055
179 HB3 ALA 29 2HB ALA 29 -1.578 9.141 -1.339
180 H THR 30 H THR 30 -0.736 7.551 0.553
181 HA THR 30 HA THR 30 1.296 8.873 1.983
182 HB THR 30 HB THR 30 -0.449 6.672 3.090
183 HG1 THR 30 HG1 THR 30 -2.068 7.947 2.632
184 HG21 THR 30 3HG2 THR 30 1.538 8.153 4.278
185 HG22 THR 30 1HG2 THR 30 0.214 7.352 5.123
186 HG23 THR 30 2HG2 THR 30 0.082 9.057 4.693
187 H HIS 31 H HIS 31 1.270 5.844 0.463
188 HA HIS 31 HA HIS 31 3.304 4.695 2.206
189 HB2 HIS 31 1HB HIS 31 1.703 3.098 1.509
190 HB3 HIS 31 2HB HIS 31 1.767 3.646 -0.164
191 HD1 HIS 31 HD1 HIS 31 3.983 1.885 2.366
192 HD2 HIS 31 HD2 HIS 31 3.456 2.216 -1.742
193 HE1 HIS 31 HE1 HIS 31 5.563 0.214 1.349
194 H GLN 32 H GLN 32 2.937 5.574 -1.225
195 HA GLN 32 HA GLN 32 5.459 5.001 -2.144
196 HB2 GLN 32 1HB GLN 32 3.805 7.419 -2.889
197 HB3 GLN 32 2HB GLN 32 5.106 6.723 -3.846
198 HG2 GLN 32 1HG GLN 32 3.750 4.600 -3.924
199 HG3 GLN 32 2HG GLN 32 2.420 5.530 -3.237
200 HE21 GLN 32 1HE2 GLN 32 1.263 6.869 -4.519
201 HE22 GLN 32 2HE2 GLN 32 1.527 7.055 -6.216
202 H ARG 33 H ARG 33 4.564 7.362 0.156
203 HA ARG 33 HA ARG 33 6.490 9.332 -0.167
204 HB2 ARG 33 1HB ARG 33 6.147 9.878 2.151
205 HB3 ARG 33 2HB ARG 33 4.603 9.396 1.460
206 HG2 ARG 33 1HG ARG 33 4.509 8.230 3.400
207 HG3 ARG 33 2HG ARG 33 5.338 7.034 2.402
208 HD2 ARG 33 1HD ARG 33 6.396 7.321 4.608
209 HD3 ARG 33 2HD ARG 33 7.479 7.733 3.280
210 HE ARG 33 HE ARG 33 7.556 9.877 4.064
211 HH11 ARG 33 1HH1 ARG 33 4.808 8.261 5.463
212 HH12 ARG 33 2HH1 ARG 33 4.426 9.563 6.541
213 HH21 ARG 33 1HH2 ARG 33 7.064 11.598 5.478
214 HH22 ARG 33 2HH2 ARG 33 5.709 11.461 6.548
215 H ILE 34 H ILE 34 6.744 6.153 1.318
216 HA ILE 34 HA ILE 34 9.438 6.614 2.251
217 HB ILE 34 HB ILE 34 9.410 4.328 3.015
218 HG12 ILE 34 1HG1 ILE 34 6.656 3.854 1.967
219 HG13 ILE 34 2HG1 ILE 34 8.010 3.674 0.856
220 HG21 ILE 34 1HG2 ILE 34 7.656 4.453 4.605
221 HG22 ILE 34 2HG2 ILE 34 8.142 6.112 4.258
222 HG23 ILE 34 3HG2 ILE 34 6.671 5.456 3.540
223 HD11 ILE 34 3HD1 ILE 34 8.104 1.581 1.596
224 HD12 ILE 34 1HD1 ILE 34 8.844 2.260 3.045
225 HD13 ILE 34 2HD1 ILE 34 7.110 1.940 3.008
226 H HIS 35 H HIS 35 8.048 5.851 -0.699
227 HA HIS 35 HA HIS 35 10.337 4.288 -1.633
228 HB2 HIS 35 1HB HIS 35 7.602 4.853 -2.719
229 HB3 HIS 35 2HB HIS 35 8.883 4.342 -3.814
230 HD1 HIS 35 HD1 HIS 35 10.229 2.094 -2.532
231 HD2 HIS 35 HD2 HIS 35 6.145 2.690 -2.055
232 HE1 HIS 35 HE1 HIS 35 9.294 -0.147 -1.875
233 H THR 36 H THR 36 8.763 7.396 -2.072
234 HA THR 36 HA THR 36 10.450 8.217 -4.242
235 HB THR 36 HB THR 36 8.215 9.170 -4.019
236 HG1 THR 36 HG1 THR 36 9.974 10.448 -4.923
237 HG21 THR 36 3HG2 THR 36 8.583 9.201 -1.371
238 HG22 THR 36 1HG2 THR 36 7.412 10.242 -2.178
239 HG23 THR 36 2HG2 THR 36 8.992 10.879 -1.724
240 H GLY 37 H GLY 37 12.398 7.492 -2.855
241 HA2 GLY 37 1HA GLY 37 13.924 9.739 -2.212
242 HA3 GLY 37 2HA GLY 37 13.281 9.101 -0.707
243 H GLU 38 H GLU 38 13.392 6.411 -1.063
244 HA GLU 38 HA GLU 38 16.287 5.962 -1.187
245 HB2 GLU 38 1HB GLU 38 15.030 5.376 0.900
246 HB3 GLU 38 2HB GLU 38 14.161 4.159 -0.024
247 HG2 GLU 38 1HG GLU 38 15.823 2.932 0.995
248 HG3 GLU 38 2HG GLU 38 16.502 3.249 -0.601
249 H LYS 39 H LYS 39 15.904 6.067 -3.613
250 HA LYS 39 HA LYS 39 14.713 3.699 -4.785
251 HB2 LYS 39 1HB LYS 39 14.843 6.198 -5.699
252 HB3 LYS 39 2HB LYS 39 16.340 5.601 -6.402
253 HG2 LYS 39 1HG LYS 39 13.869 3.992 -6.770
254 HG3 LYS 39 2HG LYS 39 14.060 5.478 -7.705
255 HD2 LYS 39 1HD LYS 39 16.351 3.585 -7.606
256 HD3 LYS 39 2HD LYS 39 14.952 3.142 -8.587
257 HE2 LYS 39 1HE LYS 39 16.194 4.295 -10.129
258 HE3 LYS 39 2HE LYS 39 15.204 5.600 -9.478
259 HZ1 LYS 39 3HZ LYS 39 17.568 6.186 -9.658
260 HZ2 LYS 39 1HZ LYS 39 17.954 4.954 -8.565
261 HZ3 LYS 39 2HZ LYS 39 17.010 6.264 -8.063
262 HA PRO 40 HA PRO 40 18.435 1.324 -4.777
263 HB2 PRO 40 1HB PRO 40 17.697 -0.532 -6.616
264 HB3 PRO 40 2HB PRO 40 17.072 -0.516 -4.962
265 HG2 PRO 40 1HG PRO 40 15.808 0.511 -7.475
266 HG3 PRO 40 2HG PRO 40 15.076 -0.414 -6.151
267 HD2 PRO 40 1HD PRO 40 14.787 2.268 -6.388
268 HD3 PRO 40 2HD PRO 40 14.836 1.448 -4.814
269 H SER 41 H SER 41 20.301 1.119 -5.963
270 HA SER 41 HA SER 41 21.127 2.914 -7.757
271 HB2 SER 41 1HB SER 41 22.867 1.412 -8.453
272 HB3 SER 41 2HB SER 41 22.507 1.050 -6.764
273 HG SER 41 HG SER 41 21.442 -0.360 -8.986
274 H GLY 42 H GLY 42 20.006 3.651 -9.456
275 HA2 GLY 42 1HA GLY 42 19.616 1.884 -11.719
276 HA3 GLY 42 2HA GLY 42 18.131 2.509 -11.015
277 HA PRO 43 HA PRO 43 19.423 5.510 -14.259
278 HB2 PRO 43 1HB PRO 43 16.899 5.971 -15.143
279 HB3 PRO 43 2HB PRO 43 17.889 4.625 -15.722
280 HG2 PRO 43 1HG PRO 43 15.721 4.632 -13.657
281 HG3 PRO 43 2HG PRO 43 16.030 3.459 -14.950
282 HD2 PRO 43 1HD PRO 43 16.764 3.021 -12.381
283 HD3 PRO 43 2HD PRO 43 17.690 2.393 -13.759
284 H SER 44 H SER 44 18.677 7.776 -14.572
285 HA SER 44 HA SER 44 18.280 9.029 -12.014
286 HB2 SER 44 1HB SER 44 18.605 11.125 -13.206
287 HB3 SER 44 2HB SER 44 19.820 9.959 -13.731
288 HG SER 44 HG SER 44 18.319 11.302 -15.295
289 H SER 45 H SER 45 16.524 10.164 -11.293
290 HA SER 45 HA SER 45 14.077 9.945 -12.922
291 HB2 SER 45 1HB SER 45 14.509 9.606 -9.963
292 HB3 SER 45 2HB SER 45 12.920 10.016 -10.608
293 HG SER 45 HG SER 45 13.493 8.089 -12.082
294 H GLY 46 H GLY 46 12.462 11.622 -12.577
295 HA2 GLY 46 1HA GLY 46 12.041 13.893 -12.843
296 HA3 GLY 46 2HA GLY 46 12.493 13.882 -11.145
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -0.184 -29.771 -14.759
2 HA2 GLY 1 1HA GLY 1 -0.834 -27.464 -16.396
3 HA3 GLY 1 2HA GLY 1 -2.188 -28.153 -15.512
4 H SER 2 H SER 2 -1.426 -25.557 -15.068
5 HA SER 2 HA SER 2 -0.732 -25.675 -12.257
6 HB2 SER 2 1HB SER 2 1.482 -25.445 -13.146
7 HB3 SER 2 2HB SER 2 0.965 -24.188 -14.270
8 HG SER 2 HG SER 2 1.492 -24.037 -11.541
9 H SER 3 H SER 3 -1.674 -24.073 -11.089
10 HA SER 3 HA SER 3 -2.667 -21.678 -12.386
11 HB2 SER 3 1HB SER 3 -4.459 -23.366 -12.769
12 HB3 SER 3 2HB SER 3 -4.596 -23.574 -11.023
13 HG SER 3 HG SER 3 -5.599 -21.613 -12.620
14 H GLY 4 H GLY 4 -3.215 -20.020 -10.930
15 HA2 GLY 4 1HA GLY 4 -3.317 -20.396 -8.113
16 HA3 GLY 4 2HA GLY 4 -1.719 -19.851 -8.603
17 H SER 5 H SER 5 -5.028 -18.978 -8.145
18 HA SER 5 HA SER 5 -4.324 -16.178 -8.187
19 HB2 SER 5 1HB SER 5 -4.905 -16.796 -10.587
20 HB3 SER 5 2HB SER 5 -6.549 -17.083 -10.019
21 HG SER 5 HG SER 5 -6.114 -14.793 -9.072
22 H SER 6 H SER 6 -5.635 -14.959 -6.900
23 HA SER 6 HA SER 6 -8.268 -15.692 -6.146
24 HB2 SER 6 1HB SER 6 -6.685 -17.337 -4.874
25 HB3 SER 6 2HB SER 6 -6.354 -15.942 -3.847
26 HG SER 6 HG SER 6 -8.514 -17.559 -3.885
27 H GLY 7 H GLY 7 -8.938 -14.356 -4.107
28 HA2 GLY 7 1HA GLY 7 -8.091 -12.318 -2.838
29 HA3 GLY 7 2HA GLY 7 -7.727 -11.686 -4.437
30 H THR 8 H THR 8 -10.456 -13.091 -2.628
31 HA THR 8 HA THR 8 -12.591 -12.349 -4.089
32 HB THR 8 HB THR 8 -13.874 -12.020 -2.007
33 HG1 THR 8 HG1 THR 8 -12.426 -12.433 -0.041
34 HG21 THR 8 3HG2 THR 8 -13.451 -14.291 -2.741
35 HG22 THR 8 1HG2 THR 8 -13.376 -14.217 -0.981
36 HG23 THR 8 2HG2 THR 8 -11.888 -14.294 -1.925
37 H GLY 9 H GLY 9 -10.919 -10.185 -1.800
38 HA2 GLY 9 1HA GLY 9 -12.521 -7.918 -2.450
39 HA3 GLY 9 2HA GLY 9 -11.010 -7.898 -1.552
40 H GLU 10 H GLU 10 -12.055 -6.122 -3.694
41 HA GLU 10 HA GLU 10 -10.257 -6.625 -5.921
42 HB2 GLU 10 1HB GLU 10 -12.464 -4.682 -5.374
43 HB3 GLU 10 2HB GLU 10 -11.282 -4.303 -6.618
44 HG2 GLU 10 1HG GLU 10 -13.190 -6.613 -6.512
45 HG3 GLU 10 2HG GLU 10 -13.084 -5.333 -7.718
46 H LYS 11 H LYS 11 -8.464 -5.441 -6.427
47 HA LYS 11 HA LYS 11 -7.643 -3.376 -4.491
48 HB2 LYS 11 1HB LYS 11 -5.780 -5.325 -5.853
49 HB3 LYS 11 2HB LYS 11 -5.370 -4.162 -4.599
50 HG2 LYS 11 1HG LYS 11 -6.486 -5.390 -2.941
51 HG3 LYS 11 2HG LYS 11 -7.342 -6.373 -4.130
52 HD2 LYS 11 1HD LYS 11 -4.871 -7.021 -4.830
53 HD3 LYS 11 2HD LYS 11 -4.538 -6.570 -3.157
54 HE2 LYS 11 1HE LYS 11 -5.019 -8.787 -2.881
55 HE3 LYS 11 2HE LYS 11 -6.631 -8.100 -2.686
56 HZ1 LYS 11 3HZ LYS 11 -7.176 -8.672 -4.914
57 HZ2 LYS 11 1HZ LYS 11 -6.520 -10.053 -4.191
58 HZ3 LYS 11 2HZ LYS 11 -5.587 -9.136 -5.262
59 HA PRO 12 HA PRO 12 -7.649 -1.492 -8.692
60 HB2 PRO 12 1HB PRO 12 -8.504 0.937 -7.831
61 HB3 PRO 12 2HB PRO 12 -9.608 -0.392 -8.208
62 HG2 PRO 12 1HG PRO 12 -8.587 0.526 -5.548
63 HG3 PRO 12 2HG PRO 12 -10.229 0.040 -6.009
64 HD2 PRO 12 1HD PRO 12 -8.536 -1.613 -4.693
65 HD3 PRO 12 2HD PRO 12 -9.743 -2.208 -5.850
66 H PHE 13 H PHE 13 -5.936 -1.095 -5.823
67 HA PHE 13 HA PHE 13 -3.964 0.590 -7.191
68 HB2 PHE 13 1HB PHE 13 -5.148 1.059 -4.463
69 HB3 PHE 13 2HB PHE 13 -3.558 1.681 -4.893
70 HD1 PHE 13 HD2 PHE 13 -7.013 1.589 -6.303
71 HD2 PHE 13 HD1 PHE 13 -3.454 3.834 -5.663
72 HE1 PHE 13 HE2 PHE 13 -8.070 3.554 -7.341
73 HE2 PHE 13 HE1 PHE 13 -4.505 5.802 -6.700
74 HZ PHE 13 HZ PHE 13 -6.815 5.664 -7.542
75 H GLU 14 H GLU 14 -2.135 -0.516 -7.298
76 HA GLU 14 HA GLU 14 -1.294 -2.089 -4.963
77 HB2 GLU 14 1HB GLU 14 -0.946 -3.024 -7.812
78 HB3 GLU 14 2HB GLU 14 -0.561 -3.912 -6.345
79 HG2 GLU 14 1HG GLU 14 -2.538 -4.889 -6.866
80 HG3 GLU 14 2HG GLU 14 -3.129 -3.560 -5.870
81 H CYS 15 H CYS 15 0.741 -1.722 -4.345
82 HA CYS 15 HA CYS 15 2.305 0.257 -5.679
83 HB2 CYS 15 1HB CYS 15 2.273 -0.051 -3.208
84 HB3 CYS 15 2HB CYS 15 3.117 -1.582 -3.418
85 H ALA 16 H ALA 16 3.711 -0.014 -7.273
86 HA ALA 16 HA ALA 16 4.599 -2.731 -7.927
87 HB1 ALA 16 3HB ALA 16 3.786 -1.964 -9.896
88 HB2 ALA 16 1HB ALA 16 4.103 -0.275 -9.497
89 HB3 ALA 16 2HB ALA 16 5.419 -1.316 -10.041
90 H GLU 17 H GLU 17 5.823 -1.465 -5.725
91 HA GLU 17 HA GLU 17 8.545 -1.070 -6.779
92 HB2 GLU 17 1HB GLU 17 7.173 0.372 -4.512
93 HB3 GLU 17 2HB GLU 17 8.917 0.385 -4.732
94 HG2 GLU 17 1HG GLU 17 7.175 1.180 -7.008
95 HG3 GLU 17 2HG GLU 17 7.419 2.310 -5.677
96 H CYS 18 H CYS 18 6.810 -1.774 -3.741
97 HA CYS 18 HA CYS 18 8.976 -3.602 -2.991
98 HB2 CYS 18 1HB CYS 18 7.966 -3.532 -0.731
99 HB3 CYS 18 2HB CYS 18 8.415 -1.933 -1.317
100 H GLY 19 H GLY 19 5.431 -3.471 -3.227
101 HA2 GLY 19 1HA GLY 19 4.512 -5.503 -4.415
102 HA3 GLY 19 2HA GLY 19 5.419 -6.425 -3.224
103 H LYS 20 H LYS 20 3.501 -3.485 -2.748
104 HA LYS 20 HA LYS 20 1.797 -5.017 -0.894
105 HB2 LYS 20 1HB LYS 20 2.985 -2.293 -0.756
106 HB3 LYS 20 2HB LYS 20 1.383 -2.510 -0.065
107 HG2 LYS 20 1HG LYS 20 2.213 -4.236 1.410
108 HG3 LYS 20 2HG LYS 20 3.812 -4.132 0.670
109 HD2 LYS 20 1HD LYS 20 4.312 -2.155 1.703
110 HD3 LYS 20 2HD LYS 20 2.625 -1.640 1.774
111 HE2 LYS 20 1HE LYS 20 3.626 -3.948 3.408
112 HE3 LYS 20 2HE LYS 20 3.801 -2.285 3.969
113 HZ1 LYS 20 3HZ LYS 20 1.367 -3.882 3.617
114 HZ2 LYS 20 1HZ LYS 20 1.267 -2.206 3.403
115 HZ3 LYS 20 2HZ LYS 20 1.799 -2.840 4.878
116 H SER 21 H SER 21 -0.391 -3.864 -0.549
117 HA SER 21 HA SER 21 -1.417 -2.687 -3.022
118 HB2 SER 21 1HB SER 21 -2.857 -4.986 -1.697
119 HB3 SER 21 2HB SER 21 -3.197 -4.249 -3.262
120 HG SER 21 HG SER 21 -1.435 -5.216 -4.116
121 H PHE 22 H PHE 22 -3.654 -1.843 -2.742
122 HA PHE 22 HA PHE 22 -4.476 -1.338 -0.000
123 HB2 PHE 22 1HB PHE 22 -3.815 0.930 -1.891
124 HB3 PHE 22 2HB PHE 22 -4.513 1.097 -0.283
125 HD1 PHE 22 HD2 PHE 22 -3.164 0.688 1.707
126 HD2 PHE 22 HD1 PHE 22 -1.485 0.469 -2.198
127 HE1 PHE 22 HE2 PHE 22 -0.906 0.800 2.675
128 HE2 PHE 22 HE1 PHE 22 0.776 0.580 -1.236
129 HZ PHE 22 HZ PHE 22 1.068 0.747 1.204
130 H SER 23 H SER 23 -6.418 0.426 -0.237
131 HA SER 23 HA SER 23 -8.208 -0.738 -2.266
132 HB2 SER 23 1HB SER 23 -8.661 -0.996 0.290
133 HB3 SER 23 2HB SER 23 -9.193 0.683 0.192
134 HG SER 23 HG SER 23 -10.567 -1.474 -0.427
135 H ILE 24 H ILE 24 -7.449 2.278 -0.550
136 HA ILE 24 HA ILE 24 -8.707 3.770 -2.754
137 HB ILE 24 HB ILE 24 -8.603 5.717 -1.110
138 HG12 ILE 24 1HG1 ILE 24 -8.264 3.459 0.875
139 HG13 ILE 24 2HG1 ILE 24 -6.999 4.603 0.442
140 HG21 ILE 24 1HG2 ILE 24 -10.453 3.545 -1.367
141 HG22 ILE 24 2HG2 ILE 24 -10.490 4.170 0.280
142 HG23 ILE 24 3HG2 ILE 24 -10.774 5.255 -1.081
143 HD11 ILE 24 3HD1 ILE 24 -9.279 6.096 1.188
144 HD12 ILE 24 1HD1 ILE 24 -9.024 4.849 2.409
145 HD13 ILE 24 2HD1 ILE 24 -7.724 5.974 2.011
146 H SER 25 H SER 25 -7.662 5.992 -3.087
147 HA SER 25 HA SER 25 -4.953 5.569 -3.859
148 HB2 SER 25 1HB SER 25 -6.446 8.199 -3.771
149 HB3 SER 25 2HB SER 25 -5.036 7.806 -4.755
150 HG SER 25 HG SER 25 -6.381 7.120 -6.198
151 H SER 26 H SER 26 -6.415 7.903 -1.589
152 HA SER 26 HA SER 26 -4.314 9.161 -0.527
153 HB2 SER 26 1HB SER 26 -6.745 8.017 0.802
154 HB3 SER 26 2HB SER 26 -5.509 8.801 1.786
155 HG SER 26 HG SER 26 -7.410 9.926 0.278
156 H GLN 27 H GLN 27 -5.315 5.906 0.515
157 HA GLN 27 HA GLN 27 -3.359 5.424 2.400
158 HB2 GLN 27 1HB GLN 27 -4.942 3.675 0.572
159 HB3 GLN 27 2HB GLN 27 -3.614 2.957 1.475
160 HG2 GLN 27 1HG GLN 27 -6.040 4.341 2.586
161 HG3 GLN 27 2HG GLN 27 -5.626 2.633 2.708
162 HE21 GLN 27 1HE2 GLN 27 -5.615 5.517 4.299
163 HE22 GLN 27 2HE2 GLN 27 -4.427 5.173 5.505
164 H LEU 28 H LEU 28 -3.228 4.394 -1.016
165 HA LEU 28 HA LEU 28 -0.602 3.491 -1.012
166 HB2 LEU 28 1HB LEU 28 -2.064 3.000 -2.841
167 HB3 LEU 28 2HB LEU 28 -2.247 4.711 -3.220
168 HG LEU 28 HG LEU 28 0.137 4.776 -3.886
169 HD11 LEU 28 1HD1 LEU 28 1.227 2.554 -4.309
170 HD12 LEU 28 2HD1 LEU 28 -0.026 1.829 -3.304
171 HD13 LEU 28 3HD1 LEU 28 1.083 3.013 -2.612
172 HD21 LEU 28 3HD2 LEU 28 -1.507 4.506 -5.605
173 HD22 LEU 28 1HD2 LEU 28 -1.639 2.778 -5.277
174 HD23 LEU 28 2HD2 LEU 28 -0.153 3.434 -5.966
175 H ALA 29 H ALA 29 -1.847 6.722 -1.809
176 HA ALA 29 HA ALA 29 0.428 8.004 -2.610
177 HB1 ALA 29 3HB ALA 29 -2.052 8.838 -1.270
178 HB2 ALA 29 1HB ALA 29 -0.694 9.953 -1.107
179 HB3 ALA 29 2HB ALA 29 -1.263 9.484 -2.709
180 H THR 30 H THR 30 -0.622 7.477 0.744
181 HA THR 30 HA THR 30 1.465 8.832 2.015
182 HB THR 30 HB THR 30 0.002 6.389 3.034
183 HG1 THR 30 HG1 THR 30 -1.442 8.067 2.491
184 HG21 THR 30 3HG2 THR 30 0.867 8.469 4.912
185 HG22 THR 30 1HG2 THR 30 2.189 7.599 4.135
186 HG23 THR 30 2HG2 THR 30 0.964 6.713 5.042
187 H HIS 31 H HIS 31 1.153 5.298 1.596
188 HA HIS 31 HA HIS 31 3.641 4.543 2.477
189 HB2 HIS 31 1HB HIS 31 2.004 2.871 1.959
190 HB3 HIS 31 2HB HIS 31 1.949 3.364 0.270
191 HD1 HIS 31 HD1 HIS 31 4.239 1.646 2.736
192 HD2 HIS 31 HD2 HIS 31 3.766 2.120 -1.365
193 HE1 HIS 31 HE1 HIS 31 5.881 0.059 1.682
194 H GLN 32 H GLN 32 2.737 5.493 -0.826
195 HA GLN 32 HA GLN 32 5.073 5.059 -2.171
196 HB2 GLN 32 1HB GLN 32 2.931 7.115 -2.408
197 HB3 GLN 32 2HB GLN 32 4.401 7.351 -3.344
198 HG2 GLN 32 1HG GLN 32 4.098 5.194 -4.409
199 HG3 GLN 32 2HG GLN 32 2.658 4.900 -3.436
200 HE21 GLN 32 1HE2 GLN 32 0.900 6.506 -3.680
201 HE22 GLN 32 2HE2 GLN 32 0.614 7.158 -5.253
202 H ARG 33 H ARG 33 4.530 7.292 0.377
203 HA ARG 33 HA ARG 33 6.393 9.280 -0.100
204 HB2 ARG 33 1HB ARG 33 6.429 9.659 2.280
205 HB3 ARG 33 2HB ARG 33 4.792 9.228 1.802
206 HG2 ARG 33 1HG ARG 33 4.979 7.921 3.641
207 HG3 ARG 33 2HG ARG 33 5.645 6.803 2.449
208 HD2 ARG 33 1HD ARG 33 7.067 6.858 4.402
209 HD3 ARG 33 2HD ARG 33 7.911 7.576 3.030
210 HE ARG 33 HE ARG 33 6.551 9.513 4.643
211 HH11 ARG 33 1HH1 ARG 33 9.459 7.626 4.324
212 HH12 ARG 33 2HH1 ARG 33 10.432 8.732 5.237
213 HH21 ARG 33 1HH2 ARG 33 7.821 10.976 5.845
214 HH22 ARG 33 2HH2 ARG 33 9.499 10.637 6.102
215 H ILE 34 H ILE 34 6.880 6.040 1.217
216 HA ILE 34 HA ILE 34 9.677 6.452 1.728
217 HB ILE 34 HB ILE 34 9.770 4.112 2.297
218 HG12 ILE 34 1HG1 ILE 34 6.897 3.678 1.613
219 HG13 ILE 34 2HG1 ILE 34 8.079 3.612 0.311
220 HG21 ILE 34 1HG2 ILE 34 8.692 5.757 3.858
221 HG22 ILE 34 2HG2 ILE 34 7.132 5.163 3.292
222 HG23 ILE 34 3HG2 ILE 34 8.243 4.072 4.118
223 HD11 ILE 34 3HD1 ILE 34 9.064 1.713 1.120
224 HD12 ILE 34 1HD1 ILE 34 8.569 2.031 2.782
225 HD13 ILE 34 2HD1 ILE 34 7.388 1.455 1.605
226 H HIS 35 H HIS 35 7.918 5.997 -1.058
227 HA HIS 35 HA HIS 35 10.107 4.600 -2.432
228 HB2 HIS 35 1HB HIS 35 7.201 5.004 -3.106
229 HB3 HIS 35 2HB HIS 35 8.366 4.508 -4.331
230 HD1 HIS 35 HD1 HIS 35 9.899 2.312 -3.284
231 HD2 HIS 35 HD2 HIS 35 5.952 2.844 -2.101
232 HE1 HIS 35 HE1 HIS 35 9.142 0.068 -2.438
233 H THR 36 H THR 36 8.370 7.606 -2.246
234 HA THR 36 HA THR 36 9.664 8.662 -4.634
235 HB THR 36 HB THR 36 8.387 10.766 -4.040
236 HG1 THR 36 HG1 THR 36 6.668 10.419 -2.503
237 HG21 THR 36 3HG2 THR 36 7.584 9.091 -5.680
238 HG22 THR 36 1HG2 THR 36 6.268 9.913 -4.843
239 HG23 THR 36 2HG2 THR 36 6.718 8.272 -4.380
240 H GLY 37 H GLY 37 10.740 10.805 -4.507
241 HA2 GLY 37 1HA GLY 37 11.819 12.451 -3.034
242 HA3 GLY 37 2HA GLY 37 12.203 11.116 -1.958
243 H GLU 38 H GLU 38 14.415 11.569 -2.001
244 HA GLU 38 HA GLU 38 15.891 11.783 -4.426
245 HB2 GLU 38 1HB GLU 38 16.871 11.129 -1.641
246 HB3 GLU 38 2HB GLU 38 17.875 11.629 -2.995
247 HG2 GLU 38 1HG GLU 38 17.164 13.809 -2.901
248 HG3 GLU 38 2HG GLU 38 15.641 13.391 -2.117
249 H LYS 39 H LYS 39 17.730 10.269 -4.928
250 HA LYS 39 HA LYS 39 16.868 7.473 -4.566
251 HB2 LYS 39 1HB LYS 39 16.540 8.329 -6.877
252 HB3 LYS 39 2HB LYS 39 18.266 8.654 -6.974
253 HG2 LYS 39 1HG LYS 39 18.223 6.630 -7.991
254 HG3 LYS 39 2HG LYS 39 18.408 6.091 -6.320
255 HD2 LYS 39 1HD LYS 39 16.213 5.397 -6.162
256 HD3 LYS 39 2HD LYS 39 15.667 6.487 -7.438
257 HE2 LYS 39 1HE LYS 39 17.218 4.997 -8.939
258 HE3 LYS 39 2HE LYS 39 16.990 3.820 -7.647
259 HZ1 LYS 39 3HZ LYS 39 15.365 3.700 -9.536
260 HZ2 LYS 39 1HZ LYS 39 14.726 5.172 -8.998
261 HZ3 LYS 39 2HZ LYS 39 14.674 3.810 -7.996
262 HA PRO 40 HA PRO 40 20.834 6.874 -2.705
263 HB2 PRO 40 1HB PRO 40 20.826 4.159 -2.724
264 HB3 PRO 40 2HB PRO 40 19.864 5.114 -1.590
265 HG2 PRO 40 1HG PRO 40 19.024 3.791 -4.140
266 HG3 PRO 40 2HG PRO 40 18.184 3.847 -2.580
267 HD2 PRO 40 1HD PRO 40 17.517 5.457 -4.652
268 HD3 PRO 40 2HD PRO 40 17.358 5.965 -2.958
269 H SER 41 H SER 41 22.873 5.654 -3.148
270 HA SER 41 HA SER 41 24.004 6.232 -5.539
271 HB2 SER 41 1HB SER 41 25.112 5.273 -3.435
272 HB3 SER 41 2HB SER 41 24.726 3.683 -4.095
273 HG SER 41 HG SER 41 25.821 4.799 -6.082
274 H GLY 42 H GLY 42 24.273 5.291 -7.534
275 HA2 GLY 42 1HA GLY 42 23.361 2.652 -8.145
276 HA3 GLY 42 2HA GLY 42 22.210 3.870 -8.676
277 HA PRO 43 HA PRO 43 25.157 3.224 -12.154
278 HB2 PRO 43 1HB PRO 43 23.252 3.383 -14.082
279 HB3 PRO 43 2HB PRO 43 23.632 1.883 -13.228
280 HG2 PRO 43 1HG PRO 43 21.398 3.819 -12.754
281 HG3 PRO 43 2HG PRO 43 21.358 2.046 -12.769
282 HD2 PRO 43 1HD PRO 43 21.427 3.482 -10.475
283 HD3 PRO 43 2HD PRO 43 22.185 1.884 -10.624
284 H SER 44 H SER 44 25.015 4.582 -14.368
285 HA SER 44 HA SER 44 24.073 7.285 -13.998
286 HB2 SER 44 1HB SER 44 27.043 6.712 -14.118
287 HB3 SER 44 2HB SER 44 26.317 8.313 -14.248
288 HG SER 44 HG SER 44 25.292 7.583 -12.111
289 H SER 45 H SER 45 24.253 8.571 -15.910
290 HA SER 45 HA SER 45 24.297 6.940 -18.322
291 HB2 SER 45 1HB SER 45 23.428 9.797 -17.835
292 HB3 SER 45 2HB SER 45 23.358 8.994 -19.404
293 HG SER 45 HG SER 45 22.173 7.702 -17.236
294 H GLY 46 H GLY 46 25.348 7.773 -20.289
295 HA2 GLY 46 1HA GLY 46 28.073 8.493 -19.722
296 HA3 GLY 46 2HA GLY 46 27.383 8.184 -21.309
Start of MODEL 18
1 H1 GLY 1 H GLY 1 3.861 -12.342 -13.647
2 HA2 GLY 1 1HA GLY 1 6.100 -13.705 -14.851
3 HA3 GLY 1 2HA GLY 1 6.494 -12.923 -13.327
4 H SER 2 H SER 2 4.617 -15.442 -14.865
5 HA SER 2 HA SER 2 3.438 -16.410 -12.443
6 HB2 SER 2 1HB SER 2 3.671 -17.508 -15.239
7 HB3 SER 2 2HB SER 2 2.979 -18.466 -13.930
8 HG SER 2 HG SER 2 1.488 -17.140 -15.246
9 H SER 3 H SER 3 5.331 -16.559 -11.104
10 HA SER 3 HA SER 3 7.086 -18.834 -11.736
11 HB2 SER 3 1HB SER 3 8.696 -17.870 -10.191
12 HB3 SER 3 2HB SER 3 8.202 -16.642 -11.355
13 HG SER 3 HG SER 3 6.641 -15.986 -9.687
14 H GLY 4 H GLY 4 7.205 -20.571 -10.405
15 HA2 GLY 4 1HA GLY 4 6.296 -22.104 -8.926
16 HA3 GLY 4 2HA GLY 4 6.751 -20.868 -7.763
17 H SER 5 H SER 5 5.129 -20.774 -6.344
18 HA SER 5 HA SER 5 2.369 -20.817 -7.338
19 HB2 SER 5 1HB SER 5 3.305 -22.315 -5.393
20 HB3 SER 5 2HB SER 5 3.065 -20.862 -4.423
21 HG SER 5 HG SER 5 0.894 -20.902 -4.937
22 H SER 6 H SER 6 2.304 -18.678 -8.111
23 HA SER 6 HA SER 6 2.295 -16.625 -5.995
24 HB2 SER 6 1HB SER 6 2.981 -14.982 -7.647
25 HB3 SER 6 2HB SER 6 4.125 -16.324 -7.660
26 HG SER 6 HG SER 6 3.647 -15.949 -9.765
27 H GLY 7 H GLY 7 0.681 -15.012 -6.099
28 HA2 GLY 7 1HA GLY 7 -1.727 -15.907 -7.529
29 HA3 GLY 7 2HA GLY 7 -1.704 -14.864 -6.114
30 H THR 8 H THR 8 -3.273 -13.997 -8.023
31 HA THR 8 HA THR 8 -1.819 -12.228 -9.819
32 HB THR 8 HB THR 8 -4.808 -12.543 -9.487
33 HG1 THR 8 HG1 THR 8 -4.298 -13.680 -11.651
34 HG21 THR 8 3HG2 THR 8 -3.288 -10.624 -10.871
35 HG22 THR 8 1HG2 THR 8 -5.024 -10.910 -10.987
36 HG23 THR 8 2HG2 THR 8 -3.919 -11.728 -12.092
37 H GLY 9 H GLY 9 -4.434 -11.851 -7.411
38 HA2 GLY 9 1HA GLY 9 -4.876 -10.147 -5.934
39 HA3 GLY 9 2HA GLY 9 -3.212 -9.626 -6.151
40 H GLU 10 H GLU 10 -6.498 -9.316 -7.325
41 HA GLU 10 HA GLU 10 -5.767 -7.209 -9.185
42 HB2 GLU 10 1HB GLU 10 -8.287 -8.678 -8.524
43 HB3 GLU 10 2HB GLU 10 -8.393 -7.123 -9.337
44 HG2 GLU 10 1HG GLU 10 -6.895 -8.006 -11.105
45 HG3 GLU 10 2HG GLU 10 -6.962 -9.581 -10.316
46 H LYS 11 H LYS 11 -5.188 -5.364 -8.196
47 HA LYS 11 HA LYS 11 -7.160 -4.127 -6.404
48 HB2 LYS 11 1HB LYS 11 -4.180 -4.309 -5.951
49 HB3 LYS 11 2HB LYS 11 -5.215 -3.172 -5.098
50 HG2 LYS 11 1HG LYS 11 -5.834 -6.095 -5.063
51 HG3 LYS 11 2HG LYS 11 -4.612 -5.420 -3.983
52 HD2 LYS 11 1HD LYS 11 -6.318 -3.795 -3.175
53 HD3 LYS 11 2HD LYS 11 -7.521 -4.636 -4.156
54 HE2 LYS 11 1HE LYS 11 -5.889 -5.858 -1.932
55 HE3 LYS 11 2HE LYS 11 -7.578 -5.368 -1.818
56 HZ1 LYS 11 3HZ LYS 11 -8.218 -7.039 -3.328
57 HZ2 LYS 11 1HZ LYS 11 -7.164 -7.792 -2.240
58 HZ3 LYS 11 2HZ LYS 11 -6.622 -7.366 -3.784
59 HA PRO 12 HA PRO 12 -6.677 -0.805 -9.291
60 HB2 PRO 12 1HB PRO 12 -8.101 1.048 -7.908
61 HB3 PRO 12 2HB PRO 12 -8.859 -0.277 -8.799
62 HG2 PRO 12 1HG PRO 12 -8.281 -0.049 -5.870
63 HG3 PRO 12 2HG PRO 12 -9.736 -0.659 -6.679
64 HD2 PRO 12 1HD PRO 12 -7.842 -2.301 -5.657
65 HD3 PRO 12 2HD PRO 12 -8.794 -2.721 -7.096
66 H PHE 13 H PHE 13 -5.938 -0.475 -5.863
67 HA PHE 13 HA PHE 13 -3.889 1.519 -6.565
68 HB2 PHE 13 1HB PHE 13 -5.591 1.473 -4.064
69 HB3 PHE 13 2HB PHE 13 -4.266 2.591 -4.371
70 HD1 PHE 13 HD1 PHE 13 -4.465 4.228 -6.253
71 HD2 PHE 13 HD2 PHE 13 -7.745 1.870 -4.912
72 HE1 PHE 13 HE1 PHE 13 -6.025 5.773 -7.363
73 HE2 PHE 13 HE2 PHE 13 -9.310 3.411 -6.020
74 HZ PHE 13 HZ PHE 13 -8.451 5.365 -7.248
75 H GLU 14 H GLU 14 -2.169 0.130 -6.596
76 HA GLU 14 HA GLU 14 -1.340 -0.915 -3.999
77 HB2 GLU 14 1HB GLU 14 -0.707 -3.085 -4.947
78 HB3 GLU 14 2HB GLU 14 -2.438 -2.808 -5.086
79 HG2 GLU 14 1HG GLU 14 -2.346 -2.529 -7.376
80 HG3 GLU 14 2HG GLU 14 -0.629 -2.129 -7.361
81 H CYS 15 H CYS 15 0.892 -1.094 -3.737
82 HA CYS 15 HA CYS 15 2.443 0.645 -5.403
83 HB2 CYS 15 1HB CYS 15 2.638 0.240 -2.846
84 HB3 CYS 15 2HB CYS 15 3.606 -1.158 -3.299
85 H ALA 16 H ALA 16 3.544 0.116 -7.162
86 HA ALA 16 HA ALA 16 3.995 -2.718 -7.753
87 HB1 ALA 16 3HB ALA 16 2.857 -1.634 -9.514
88 HB2 ALA 16 1HB ALA 16 3.963 -0.260 -9.485
89 HB3 ALA 16 2HB ALA 16 4.521 -1.831 -10.064
90 H GLU 17 H GLU 17 5.652 -1.355 -5.822
91 HA GLU 17 HA GLU 17 8.238 -1.474 -7.230
92 HB2 GLU 17 1HB GLU 17 7.404 0.293 -4.929
93 HB3 GLU 17 2HB GLU 17 9.078 0.071 -5.418
94 HG2 GLU 17 1HG GLU 17 6.882 1.178 -7.153
95 HG3 GLU 17 2HG GLU 17 8.116 2.125 -6.324
96 H CYS 18 H CYS 18 6.881 -1.678 -3.934
97 HA CYS 18 HA CYS 18 8.941 -3.576 -3.175
98 HB2 CYS 18 1HB CYS 18 7.670 -3.489 -0.947
99 HB3 CYS 18 2HB CYS 18 8.478 -2.017 -1.473
100 H GLY 19 H GLY 19 5.371 -3.524 -3.171
101 HA2 GLY 19 1HA GLY 19 4.473 -5.595 -4.382
102 HA3 GLY 19 2HA GLY 19 5.423 -6.471 -3.191
103 H LYS 20 H LYS 20 3.401 -3.579 -2.809
104 HA LYS 20 HA LYS 20 1.689 -5.127 -0.978
105 HB2 LYS 20 1HB LYS 20 2.809 -2.348 -0.636
106 HB3 LYS 20 2HB LYS 20 1.435 -2.932 0.293
107 HG2 LYS 20 1HG LYS 20 2.811 -4.735 1.200
108 HG3 LYS 20 2HG LYS 20 4.191 -4.148 0.268
109 HD2 LYS 20 1HD LYS 20 4.533 -3.231 2.383
110 HD3 LYS 20 2HD LYS 20 3.784 -1.912 1.481
111 HE2 LYS 20 1HE LYS 20 1.574 -3.019 2.445
112 HE3 LYS 20 2HE LYS 20 2.693 -3.576 3.688
113 HZ1 LYS 20 3HZ LYS 20 2.606 -1.583 4.612
114 HZ2 LYS 20 1HZ LYS 20 1.523 -1.052 3.426
115 HZ3 LYS 20 2HZ LYS 20 3.188 -0.863 3.196
116 H SER 21 H SER 21 -0.488 -4.266 -0.706
117 HA SER 21 HA SER 21 -1.394 -2.619 -2.968
118 HB2 SER 21 1HB SER 21 -3.463 -4.119 -3.004
119 HB3 SER 21 2HB SER 21 -1.978 -4.815 -3.652
120 HG SER 21 HG SER 21 -2.556 -6.362 -2.306
121 H PHE 22 H PHE 22 -3.521 -1.631 -2.629
122 HA PHE 22 HA PHE 22 -4.317 -1.395 0.181
123 HB2 PHE 22 1HB PHE 22 -3.870 0.996 -1.616
124 HB3 PHE 22 2HB PHE 22 -4.382 1.028 0.068
125 HD1 PHE 22 HD2 PHE 22 -2.807 0.588 1.858
126 HD2 PHE 22 HD1 PHE 22 -1.576 0.575 -2.216
127 HE1 PHE 22 HE2 PHE 22 -0.455 0.710 2.572
128 HE2 PHE 22 HE1 PHE 22 0.778 0.695 -1.509
129 HZ PHE 22 HZ PHE 22 1.341 0.764 0.887
130 H SER 23 H SER 23 -6.324 0.275 0.157
131 HA SER 23 HA SER 23 -8.221 -0.929 -1.725
132 HB2 SER 23 1HB SER 23 -8.501 -0.872 0.880
133 HB3 SER 23 2HB SER 23 -9.048 0.781 0.598
134 HG SER 23 HG SER 23 -10.382 -0.483 -1.132
135 H ILE 24 H ILE 24 -7.316 2.236 -0.386
136 HA ILE 24 HA ILE 24 -8.579 3.494 -2.734
137 HB ILE 24 HB ILE 24 -8.729 5.561 -1.358
138 HG12 ILE 24 1HG1 ILE 24 -8.182 3.805 1.028
139 HG13 ILE 24 2HG1 ILE 24 -6.903 4.729 0.249
140 HG21 ILE 24 1HG2 ILE 24 -10.718 4.315 -1.574
141 HG22 ILE 24 2HG2 ILE 24 -10.156 3.075 -0.454
142 HG23 ILE 24 3HG2 ILE 24 -10.574 4.680 0.145
143 HD11 ILE 24 3HD1 ILE 24 -9.321 5.740 1.699
144 HD12 ILE 24 1HD1 ILE 24 -7.618 6.048 2.039
145 HD13 ILE 24 2HD1 ILE 24 -8.378 6.765 0.618
146 H SER 25 H SER 25 -7.561 5.656 -3.290
147 HA SER 25 HA SER 25 -4.864 5.260 -3.979
148 HB2 SER 25 1HB SER 25 -4.921 7.584 -4.780
149 HB3 SER 25 2HB SER 25 -6.372 6.711 -5.272
150 HG SER 25 HG SER 25 -7.502 8.111 -4.206
151 H SER 26 H SER 26 -6.236 7.700 -1.764
152 HA SER 26 HA SER 26 -4.086 8.880 -0.718
153 HB2 SER 26 1HB SER 26 -6.539 9.035 0.053
154 HB3 SER 26 2HB SER 26 -6.131 7.743 1.182
155 HG SER 26 HG SER 26 -4.241 9.368 1.587
156 H GLN 27 H GLN 27 -5.288 5.770 0.552
157 HA GLN 27 HA GLN 27 -3.308 5.253 2.390
158 HB2 GLN 27 1HB GLN 27 -4.811 3.329 0.614
159 HB3 GLN 27 2HB GLN 27 -3.795 2.822 1.956
160 HG2 GLN 27 1HG GLN 27 -6.180 4.638 2.209
161 HG3 GLN 27 2HG GLN 27 -6.202 2.900 2.502
162 HE21 GLN 27 1HE2 GLN 27 -6.994 4.576 4.469
163 HE22 GLN 27 2HE2 GLN 27 -5.825 4.607 5.741
164 H LEU 28 H LEU 28 -3.320 4.377 -1.057
165 HA LEU 28 HA LEU 28 -0.798 3.131 -1.072
166 HB2 LEU 28 1HB LEU 28 -2.175 2.673 -2.899
167 HB3 LEU 28 2HB LEU 28 -2.514 4.378 -3.186
168 HG LEU 28 HG LEU 28 0.033 4.484 -3.774
169 HD11 LEU 28 1HD1 LEU 28 0.005 1.936 -5.009
170 HD12 LEU 28 2HD1 LEU 28 -0.321 1.707 -3.291
171 HD13 LEU 28 3HD1 LEU 28 1.133 2.563 -3.806
172 HD21 LEU 28 3HD2 LEU 28 -0.612 3.673 -6.136
173 HD22 LEU 28 1HD2 LEU 28 -1.477 5.047 -5.447
174 HD23 LEU 28 2HD2 LEU 28 -2.222 3.448 -5.452
175 H ALA 29 H ALA 29 -1.696 6.382 -2.242
176 HA ALA 29 HA ALA 29 0.787 7.357 -2.861
177 HB1 ALA 29 3HB ALA 29 -0.838 9.337 -1.467
178 HB2 ALA 29 1HB ALA 29 -0.272 9.305 -3.137
179 HB3 ALA 29 2HB ALA 29 -1.731 8.424 -2.683
180 H THR 30 H THR 30 -0.813 7.628 0.314
181 HA THR 30 HA THR 30 1.202 8.919 1.696
182 HB THR 30 HB THR 30 -0.642 6.789 2.797
183 HG1 THR 30 HG1 THR 30 -1.974 8.340 2.054
184 HG21 THR 30 3HG2 THR 30 -0.084 8.835 4.670
185 HG22 THR 30 1HG2 THR 30 1.460 8.296 4.011
186 HG23 THR 30 2HG2 THR 30 0.364 7.131 4.754
187 H HIS 31 H HIS 31 1.119 5.689 0.519
188 HA HIS 31 HA HIS 31 3.284 4.812 2.263
189 HB2 HIS 31 1HB HIS 31 1.768 3.070 1.975
190 HB3 HIS 31 2HB HIS 31 1.495 3.454 0.278
191 HD1 HIS 31 HD1 HIS 31 3.359 1.218 2.444
192 HD2 HIS 31 HD2 HIS 31 3.786 2.712 -1.409
193 HE1 HIS 31 HE1 HIS 31 5.012 -0.302 1.313
194 H GLN 32 H GLN 32 2.662 5.259 -1.208
195 HA GLN 32 HA GLN 32 5.111 4.526 -2.230
196 HB2 GLN 32 1HB GLN 32 3.071 6.545 -3.088
197 HB3 GLN 32 2HB GLN 32 4.592 6.418 -3.962
198 HG2 GLN 32 1HG GLN 32 3.023 3.943 -3.463
199 HG3 GLN 32 2HG GLN 32 2.472 5.067 -4.704
200 HE21 GLN 32 1HE2 GLN 32 2.906 3.807 -6.449
201 HE22 GLN 32 2HE2 GLN 32 4.500 3.345 -6.928
202 H ARG 33 H ARG 33 4.295 7.327 -0.372
203 HA ARG 33 HA ARG 33 6.324 9.089 -1.090
204 HB2 ARG 33 1HB ARG 33 6.033 10.079 1.142
205 HB3 ARG 33 2HB ARG 33 4.488 9.735 0.376
206 HG2 ARG 33 1HG ARG 33 4.047 8.930 2.447
207 HG3 ARG 33 2HG ARG 33 4.743 7.474 1.733
208 HD2 ARG 33 1HD ARG 33 6.976 8.284 2.633
209 HD3 ARG 33 2HD ARG 33 6.055 9.461 3.569
210 HE ARG 33 HE ARG 33 4.966 6.936 4.045
211 HH11 ARG 33 1HH1 ARG 33 7.920 8.684 4.625
212 HH12 ARG 33 2HH1 ARG 33 8.307 7.811 6.070
213 HH21 ARG 33 1HH2 ARG 33 5.464 5.779 5.947
214 HH22 ARG 33 2HH2 ARG 33 6.909 6.158 6.821
215 H ILE 34 H ILE 34 6.426 6.199 0.848
216 HA ILE 34 HA ILE 34 8.866 6.652 2.181
217 HB ILE 34 HB ILE 34 8.859 4.384 2.769
218 HG12 ILE 34 1HG1 ILE 34 7.068 3.836 0.392
219 HG13 ILE 34 2HG1 ILE 34 8.794 3.497 0.457
220 HG21 ILE 34 1HG2 ILE 34 7.019 4.727 3.961
221 HG22 ILE 34 2HG2 ILE 34 6.377 5.816 2.733
222 HG23 ILE 34 3HG2 ILE 34 6.074 4.082 2.619
223 HD11 ILE 34 3HD1 ILE 34 8.366 1.954 2.343
224 HD12 ILE 34 1HD1 ILE 34 6.638 2.228 2.125
225 HD13 ILE 34 2HD1 ILE 34 7.580 1.473 0.839
226 H HIS 35 H HIS 35 8.105 5.463 -1.024
227 HA HIS 35 HA HIS 35 10.758 4.544 -1.599
228 HB2 HIS 35 1HB HIS 35 8.369 5.094 -3.365
229 HB3 HIS 35 2HB HIS 35 9.896 4.457 -3.969
230 HD1 HIS 35 HD1 HIS 35 10.612 2.071 -2.919
231 HD2 HIS 35 HD2 HIS 35 6.648 3.209 -2.413
232 HE1 HIS 35 HE1 HIS 35 9.377 -0.038 -2.322
233 H THR 36 H THR 36 8.963 7.518 -2.058
234 HA THR 36 HA THR 36 11.289 8.713 -3.404
235 HB THR 36 HB THR 36 9.425 9.113 -4.763
236 HG1 THR 36 HG1 THR 36 9.968 11.151 -4.814
237 HG21 THR 36 3HG2 THR 36 7.265 9.937 -3.925
238 HG22 THR 36 1HG2 THR 36 7.883 9.865 -2.276
239 HG23 THR 36 2HG2 THR 36 7.691 8.382 -3.211
240 H GLY 37 H GLY 37 12.633 9.705 -2.046
241 HA2 GLY 37 1HA GLY 37 12.216 11.973 -0.656
242 HA3 GLY 37 2HA GLY 37 11.695 10.747 0.490
243 H GLU 38 H GLU 38 14.341 10.480 -1.833
244 HA GLU 38 HA GLU 38 16.137 9.739 0.313
245 HB2 GLU 38 1HB GLU 38 16.346 9.772 -2.686
246 HB3 GLU 38 2HB GLU 38 17.770 9.531 -1.684
247 HG2 GLU 38 1HG GLU 38 16.975 7.393 -2.325
248 HG3 GLU 38 2HG GLU 38 16.603 7.605 -0.615
249 H LYS 39 H LYS 39 16.329 11.716 1.437
250 HA LYS 39 HA LYS 39 17.795 13.832 0.009
251 HB2 LYS 39 1HB LYS 39 17.095 15.261 1.985
252 HB3 LYS 39 2HB LYS 39 15.804 14.750 0.906
253 HG2 LYS 39 1HG LYS 39 15.296 12.905 2.501
254 HG3 LYS 39 2HG LYS 39 16.479 13.608 3.607
255 HD2 LYS 39 1HD LYS 39 14.471 14.508 4.353
256 HD3 LYS 39 2HD LYS 39 15.110 15.783 3.313
257 HE2 LYS 39 1HE LYS 39 12.852 15.591 2.711
258 HE3 LYS 39 2HE LYS 39 13.729 14.726 1.451
259 HZ1 LYS 39 3HZ LYS 39 11.680 13.759 3.043
260 HZ2 LYS 39 1HZ LYS 39 13.080 12.962 3.559
261 HZ3 LYS 39 2HZ LYS 39 12.616 12.890 1.934
262 HA PRO 40 HA PRO 40 20.895 11.829 2.810
263 HB2 PRO 40 1HB PRO 40 22.918 11.911 1.001
264 HB3 PRO 40 2HB PRO 40 21.747 10.589 1.074
265 HG2 PRO 40 1HG PRO 40 21.818 12.958 -0.756
266 HG3 PRO 40 2HG PRO 40 21.462 11.262 -1.134
267 HD2 PRO 40 1HD PRO 40 19.521 13.126 -0.827
268 HD3 PRO 40 2HD PRO 40 19.287 11.422 -0.387
269 H SER 41 H SER 41 21.274 14.564 0.575
270 HA SER 41 HA SER 41 22.084 16.332 2.645
271 HB2 SER 41 1HB SER 41 24.188 15.018 2.356
272 HB3 SER 41 2HB SER 41 24.249 15.554 0.677
273 HG SER 41 HG SER 41 25.459 16.799 2.370
274 H GLY 42 H GLY 42 22.292 18.503 1.928
275 HA2 GLY 42 1HA GLY 42 20.900 18.979 -0.584
276 HA3 GLY 42 2HA GLY 42 21.242 20.171 0.661
277 HA PRO 43 HA PRO 43 24.629 21.743 -1.624
278 HB2 PRO 43 1HB PRO 43 26.485 22.246 0.293
279 HB3 PRO 43 2HB PRO 43 25.013 23.207 0.105
280 HG2 PRO 43 1HG PRO 43 25.593 20.988 2.029
281 HG3 PRO 43 2HG PRO 43 24.779 22.536 2.319
282 HD2 PRO 43 1HD PRO 43 23.422 20.218 1.984
283 HD3 PRO 43 2HD PRO 43 22.775 21.787 1.463
284 H SER 44 H SER 44 26.901 21.427 -2.230
285 HA SER 44 HA SER 44 27.524 18.672 -2.522
286 HB2 SER 44 1HB SER 44 28.908 21.234 -3.257
287 HB3 SER 44 2HB SER 44 29.754 19.695 -3.418
288 HG SER 44 HG SER 44 28.640 20.315 -5.338
289 H SER 45 H SER 45 27.775 17.786 -0.469
290 HA SER 45 HA SER 45 29.915 18.834 1.226
291 HB2 SER 45 1HB SER 45 27.946 18.360 2.467
292 HB3 SER 45 2HB SER 45 27.736 16.795 1.681
293 HG SER 45 HG SER 45 30.039 17.351 3.208
294 H GLY 46 H GLY 46 28.874 15.614 0.076
295 HA2 GLY 46 1HA GLY 46 30.449 14.248 -1.192
296 HA3 GLY 46 2HA GLY 46 31.732 14.921 -0.196
Start of MODEL 19
1 H1 GLY 1 H GLY 1 13.503 -17.793 -2.241
2 HA2 GLY 1 1HA GLY 1 14.899 -16.985 -4.608
3 HA3 GLY 1 2HA GLY 1 15.089 -18.702 -4.285
4 H SER 2 H SER 2 12.801 -19.679 -3.572
5 HA SER 2 HA SER 2 11.075 -19.177 -5.869
6 HB2 SER 2 1HB SER 2 11.365 -21.430 -3.908
7 HB3 SER 2 2HB SER 2 9.887 -21.275 -4.857
8 HG SER 2 HG SER 2 11.064 -22.390 -6.230
9 H SER 3 H SER 3 9.535 -17.704 -5.632
10 HA SER 3 HA SER 3 8.025 -17.657 -3.103
11 HB2 SER 3 1HB SER 3 7.715 -15.187 -3.507
12 HB3 SER 3 2HB SER 3 9.367 -15.665 -3.119
13 HG SER 3 HG SER 3 9.270 -14.227 -4.904
14 H GLY 4 H GLY 4 5.819 -16.754 -3.326
15 HA2 GLY 4 1HA GLY 4 4.712 -17.095 -6.035
16 HA3 GLY 4 2HA GLY 4 4.012 -17.976 -4.685
17 H SER 5 H SER 5 3.202 -15.652 -6.597
18 HA SER 5 HA SER 5 2.120 -13.917 -4.472
19 HB2 SER 5 1HB SER 5 3.256 -13.276 -7.154
20 HB3 SER 5 2HB SER 5 1.913 -12.292 -6.573
21 HG SER 5 HG SER 5 4.488 -12.183 -5.870
22 H SER 6 H SER 6 0.822 -16.262 -5.162
23 HA SER 6 HA SER 6 -1.301 -15.562 -7.030
24 HB2 SER 6 1HB SER 6 -0.435 -18.074 -5.652
25 HB3 SER 6 2HB SER 6 -2.095 -17.950 -6.234
26 HG SER 6 HG SER 6 -1.057 -17.286 -8.295
27 H GLY 7 H GLY 7 -2.569 -14.036 -6.058
28 HA2 GLY 7 1HA GLY 7 -3.632 -14.634 -3.383
29 HA3 GLY 7 2HA GLY 7 -3.665 -13.062 -4.168
30 H THR 8 H THR 8 -5.879 -14.399 -2.939
31 HA THR 8 HA THR 8 -7.540 -15.229 -5.201
32 HB THR 8 HB THR 8 -7.558 -16.615 -3.138
33 HG1 THR 8 HG1 THR 8 -9.454 -16.247 -4.626
34 HG21 THR 8 3HG2 THR 8 -7.346 -15.206 -1.317
35 HG22 THR 8 1HG2 THR 8 -9.072 -15.563 -1.284
36 HG23 THR 8 2HG2 THR 8 -8.500 -14.036 -1.954
37 H GLY 9 H GLY 9 -6.804 -12.512 -5.145
38 HA2 GLY 9 1HA GLY 9 -9.339 -11.283 -5.422
39 HA3 GLY 9 2HA GLY 9 -8.599 -10.777 -3.910
40 H GLU 10 H GLU 10 -9.233 -9.062 -6.085
41 HA GLU 10 HA GLU 10 -6.523 -8.201 -6.856
42 HB2 GLU 10 1HB GLU 10 -7.337 -7.433 -8.971
43 HB3 GLU 10 2HB GLU 10 -7.869 -9.096 -8.770
44 HG2 GLU 10 1HG GLU 10 -10.072 -8.510 -8.524
45 HG3 GLU 10 2HG GLU 10 -9.689 -6.887 -7.953
46 H LYS 11 H LYS 11 -6.063 -6.026 -6.730
47 HA LYS 11 HA LYS 11 -8.157 -4.317 -5.557
48 HB2 LYS 11 1HB LYS 11 -5.224 -4.095 -4.896
49 HB3 LYS 11 2HB LYS 11 -6.578 -3.325 -4.079
50 HG2 LYS 11 1HG LYS 11 -6.512 -6.289 -4.145
51 HG3 LYS 11 2HG LYS 11 -5.365 -5.456 -3.093
52 HD2 LYS 11 1HD LYS 11 -7.125 -5.656 -1.651
53 HD3 LYS 11 2HD LYS 11 -7.538 -4.111 -2.399
54 HE2 LYS 11 1HE LYS 11 -8.533 -6.594 -3.692
55 HE3 LYS 11 2HE LYS 11 -9.292 -6.094 -2.181
56 HZ1 LYS 11 3HZ LYS 11 -10.418 -4.535 -3.253
57 HZ2 LYS 11 1HZ LYS 11 -9.816 -5.130 -4.718
58 HZ3 LYS 11 2HZ LYS 11 -9.008 -3.878 -3.918
59 HA PRO 12 HA PRO 12 -7.322 -1.519 -8.851
60 HB2 PRO 12 1HB PRO 12 -8.236 0.772 -7.717
61 HB3 PRO 12 2HB PRO 12 -9.309 -0.508 -8.297
62 HG2 PRO 12 1HG PRO 12 -8.387 0.073 -5.509
63 HG3 PRO 12 2HG PRO 12 -10.006 -0.366 -6.083
64 HD2 PRO 12 1HD PRO 12 -8.335 -2.158 -4.931
65 HD3 PRO 12 2HD PRO 12 -9.496 -2.611 -6.195
66 H PHE 13 H PHE 13 -5.997 -1.063 -5.671
67 HA PHE 13 HA PHE 13 -3.908 0.671 -6.818
68 HB2 PHE 13 1HB PHE 13 -4.892 0.675 -3.957
69 HB3 PHE 13 2HB PHE 13 -3.665 1.736 -4.639
70 HD1 PHE 13 HD1 PHE 13 -4.360 3.336 -6.481
71 HD2 PHE 13 HD2 PHE 13 -7.149 1.250 -4.034
72 HE1 PHE 13 HE1 PHE 13 -6.102 4.965 -7.084
73 HE2 PHE 13 HE2 PHE 13 -8.896 2.875 -4.634
74 HZ PHE 13 HZ PHE 13 -8.374 4.735 -6.161
75 H GLU 14 H GLU 14 -2.157 -0.545 -7.115
76 HA GLU 14 HA GLU 14 -1.202 -2.169 -4.867
77 HB2 GLU 14 1HB GLU 14 -1.734 -3.074 -7.662
78 HB3 GLU 14 2HB GLU 14 -0.355 -3.754 -6.809
79 HG2 GLU 14 1HG GLU 14 -1.703 -4.732 -5.170
80 HG3 GLU 14 2HG GLU 14 -3.095 -3.739 -5.598
81 H CYS 15 H CYS 15 0.719 -1.416 -4.301
82 HA CYS 15 HA CYS 15 2.256 0.382 -5.770
83 HB2 CYS 15 1HB CYS 15 2.424 -0.007 -3.308
84 HB3 CYS 15 2HB CYS 15 3.265 -1.516 -3.643
85 H ALA 16 H ALA 16 3.713 0.186 -7.352
86 HA ALA 16 HA ALA 16 4.391 -2.520 -8.261
87 HB1 ALA 16 3HB ALA 16 3.434 -1.373 -10.041
88 HB2 ALA 16 1HB ALA 16 4.256 0.135 -9.639
89 HB3 ALA 16 2HB ALA 16 5.164 -1.206 -10.339
90 H GLU 17 H GLU 17 5.717 -1.221 -5.998
91 HA GLU 17 HA GLU 17 8.450 -1.078 -7.094
92 HB2 GLU 17 1HB GLU 17 7.280 0.382 -4.722
93 HB3 GLU 17 2HB GLU 17 8.995 0.344 -5.104
94 HG2 GLU 17 1HG GLU 17 7.093 1.245 -7.201
95 HG3 GLU 17 2HG GLU 17 7.463 2.334 -5.865
96 H CYS 18 H CYS 18 6.675 -1.756 -4.074
97 HA CYS 18 HA CYS 18 8.734 -3.728 -3.376
98 HB2 CYS 18 1HB CYS 18 7.796 -3.628 -1.103
99 HB3 CYS 18 2HB CYS 18 8.275 -2.033 -1.675
100 H GLY 19 H GLY 19 5.209 -3.348 -3.607
101 HA2 GLY 19 1HA GLY 19 4.055 -5.213 -4.771
102 HA3 GLY 19 2HA GLY 19 5.015 -6.294 -3.772
103 H LYS 20 H LYS 20 3.127 -3.368 -3.026
104 HA LYS 20 HA LYS 20 1.601 -4.980 -1.086
105 HB2 LYS 20 1HB LYS 20 2.673 -2.174 -0.865
106 HB3 LYS 20 2HB LYS 20 1.359 -2.745 0.155
107 HG2 LYS 20 1HG LYS 20 2.728 -4.348 1.201
108 HG3 LYS 20 2HG LYS 20 3.995 -4.172 -0.016
109 HD2 LYS 20 1HD LYS 20 4.751 -3.018 1.911
110 HD3 LYS 20 2HD LYS 20 4.238 -1.781 0.761
111 HE2 LYS 20 1HE LYS 20 2.166 -1.472 1.933
112 HE3 LYS 20 2HE LYS 20 2.509 -2.840 2.991
113 HZ1 LYS 20 3HZ LYS 20 3.236 -1.219 4.348
114 HZ2 LYS 20 1HZ LYS 20 3.514 -0.119 3.094
115 HZ3 LYS 20 2HZ LYS 20 4.651 -1.326 3.427
116 H SER 21 H SER 21 -0.593 -4.362 -0.725
117 HA SER 21 HA SER 21 -1.759 -2.800 -2.936
118 HB2 SER 21 1HB SER 21 -3.735 -4.297 -2.797
119 HB3 SER 21 2HB SER 21 -2.265 -5.163 -3.240
120 HG SER 21 HG SER 21 -3.184 -4.982 -0.569
121 H PHE 22 H PHE 22 -3.461 -1.431 -2.470
122 HA PHE 22 HA PHE 22 -4.072 -1.068 0.390
123 HB2 PHE 22 1HB PHE 22 -3.745 1.077 -1.718
124 HB3 PHE 22 2HB PHE 22 -4.257 1.360 -0.058
125 HD1 PHE 22 HD1 PHE 22 -1.448 0.438 -2.225
126 HD2 PHE 22 HD2 PHE 22 -2.687 1.312 1.753
127 HE1 PHE 22 HE1 PHE 22 0.906 0.655 -1.543
128 HE2 PHE 22 HE2 PHE 22 -0.335 1.531 2.441
129 HZ PHE 22 HZ PHE 22 1.465 1.203 0.792
130 H SER 23 H SER 23 -6.076 0.605 0.450
131 HA SER 23 HA SER 23 -8.188 -0.769 -1.048
132 HB2 SER 23 1HB SER 23 -8.354 1.011 1.396
133 HB3 SER 23 2HB SER 23 -9.724 0.207 0.630
134 HG SER 23 HG SER 23 -8.154 -1.735 1.002
135 H ILE 24 H ILE 24 -6.851 2.418 -0.409
136 HA ILE 24 HA ILE 24 -8.258 3.432 -2.761
137 HB ILE 24 HB ILE 24 -8.661 5.606 -1.457
138 HG12 ILE 24 1HG1 ILE 24 -9.255 4.780 1.031
139 HG13 ILE 24 2HG1 ILE 24 -7.889 3.720 0.704
140 HG21 ILE 24 1HG2 ILE 24 -10.587 4.550 -2.133
141 HG22 ILE 24 2HG2 ILE 24 -10.221 3.076 -1.239
142 HG23 ILE 24 3HG2 ILE 24 -10.779 4.511 -0.380
143 HD11 ILE 24 3HD1 ILE 24 -6.569 5.378 1.331
144 HD12 ILE 24 1HD1 ILE 24 -7.061 6.245 -0.123
145 HD13 ILE 24 2HD1 ILE 24 -7.922 6.507 1.394
146 H SER 25 H SER 25 -7.268 5.244 -3.741
147 HA SER 25 HA SER 25 -4.543 5.251 -3.920
148 HB2 SER 25 1HB SER 25 -4.887 7.743 -4.660
149 HB3 SER 25 2HB SER 25 -5.596 6.441 -5.616
150 HG SER 25 HG SER 25 -7.301 7.136 -3.679
151 H SER 26 H SER 26 -6.434 7.649 -2.073
152 HA SER 26 HA SER 26 -4.612 9.204 -0.930
153 HB2 SER 26 1HB SER 26 -6.459 7.940 1.039
154 HB3 SER 26 2HB SER 26 -6.111 9.646 0.757
155 HG SER 26 HG SER 26 -7.817 9.694 -0.447
156 H GLN 27 H GLN 27 -5.218 5.869 0.102
157 HA GLN 27 HA GLN 27 -3.204 5.923 2.138
158 HB2 GLN 27 1HB GLN 27 -5.057 3.905 0.998
159 HB3 GLN 27 2HB GLN 27 -3.596 3.291 1.761
160 HG2 GLN 27 1HG GLN 27 -4.164 4.463 3.818
161 HG3 GLN 27 2HG GLN 27 -5.618 5.105 3.056
162 HE21 GLN 27 1HE2 GLN 27 -6.497 2.880 1.690
163 HE22 GLN 27 2HE2 GLN 27 -6.973 1.665 2.822
164 H LEU 28 H LEU 28 -3.433 4.459 -1.095
165 HA LEU 28 HA LEU 28 -0.979 3.204 -1.206
166 HB2 LEU 28 1HB LEU 28 -2.532 2.856 -2.957
167 HB3 LEU 28 2HB LEU 28 -2.592 4.575 -3.339
168 HG LEU 28 HG LEU 28 -0.179 4.364 -4.073
169 HD11 LEU 28 1HD1 LEU 28 0.877 2.365 -4.216
170 HD12 LEU 28 2HD1 LEU 28 -0.618 1.464 -4.465
171 HD13 LEU 28 3HD1 LEU 28 -0.171 1.998 -2.845
172 HD21 LEU 28 3HD2 LEU 28 -2.433 4.182 -5.468
173 HD22 LEU 28 1HD2 LEU 28 -1.801 2.566 -5.785
174 HD23 LEU 28 2HD2 LEU 28 -0.846 3.986 -6.213
175 H ALA 29 H ALA 29 -1.752 6.582 -1.958
176 HA ALA 29 HA ALA 29 0.794 7.362 -2.833
177 HB1 ALA 29 3HB ALA 29 -0.015 9.679 -2.034
178 HB2 ALA 29 1HB ALA 29 -0.905 8.867 -3.322
179 HB3 ALA 29 2HB ALA 29 -1.530 8.852 -1.672
180 H THR 30 H THR 30 -0.689 7.673 0.393
181 HA THR 30 HA THR 30 1.341 8.881 1.771
182 HB THR 30 HB THR 30 -0.318 6.594 2.849
183 HG1 THR 30 HG1 THR 30 -0.916 9.256 2.242
184 HG21 THR 30 3HG2 THR 30 1.443 8.653 4.071
185 HG22 THR 30 1HG2 THR 30 1.147 6.985 4.560
186 HG23 THR 30 2HG2 THR 30 -0.044 8.235 4.922
187 H HIS 31 H HIS 31 1.189 5.577 0.646
188 HA HIS 31 HA HIS 31 3.434 4.672 2.190
189 HB2 HIS 31 1HB HIS 31 1.885 2.989 1.583
190 HB3 HIS 31 2HB HIS 31 1.873 3.495 -0.104
191 HD1 HIS 31 HD1 HIS 31 4.459 2.140 2.348
192 HD2 HIS 31 HD2 HIS 31 3.357 1.859 -1.648
193 HE1 HIS 31 HE1 HIS 31 6.026 0.453 1.335
194 H GLN 32 H GLN 32 2.920 5.466 -1.242
195 HA GLN 32 HA GLN 32 5.423 4.970 -2.245
196 HB2 GLN 32 1HB GLN 32 3.515 7.208 -2.924
197 HB3 GLN 32 2HB GLN 32 4.952 6.840 -3.868
198 HG2 GLN 32 1HG GLN 32 2.887 4.745 -3.321
199 HG3 GLN 32 2HG GLN 32 2.692 5.901 -4.638
200 HE21 GLN 32 1HE2 GLN 32 2.733 4.016 -6.008
201 HE22 GLN 32 2HE2 GLN 32 4.250 3.337 -6.482
202 H ARG 33 H ARG 33 4.535 7.331 0.059
203 HA ARG 33 HA ARG 33 6.451 9.319 -0.378
204 HB2 ARG 33 1HB ARG 33 5.437 8.397 2.315
205 HB3 ARG 33 2HB ARG 33 6.079 9.983 1.908
206 HG2 ARG 33 1HG ARG 33 3.662 8.946 0.495
207 HG3 ARG 33 2HG ARG 33 3.520 9.641 2.111
208 HD2 ARG 33 1HD ARG 33 3.129 11.432 0.648
209 HD3 ARG 33 2HD ARG 33 4.795 11.641 1.186
210 HE ARG 33 HE ARG 33 4.675 10.145 -1.225
211 HH11 ARG 33 1HH1 ARG 33 4.426 13.377 0.045
212 HH12 ARG 33 2HH1 ARG 33 4.940 14.134 -1.426
213 HH21 ARG 33 1HH2 ARG 33 5.352 11.131 -3.167
214 HH22 ARG 33 2HH2 ARG 33 5.465 12.856 -3.253
215 H ILE 34 H ILE 34 6.615 6.465 1.750
216 HA ILE 34 HA ILE 34 9.263 6.883 2.605
217 HB ILE 34 HB ILE 34 9.240 4.600 3.389
218 HG12 ILE 34 1HG1 ILE 34 6.566 4.063 2.175
219 HG13 ILE 34 2HG1 ILE 34 7.992 3.894 1.156
220 HG21 ILE 34 1HG2 ILE 34 6.823 4.656 4.449
221 HG22 ILE 34 2HG2 ILE 34 8.064 5.816 4.921
222 HG23 ILE 34 3HG2 ILE 34 6.818 6.280 3.762
223 HD11 ILE 34 3HD1 ILE 34 7.080 2.257 3.439
224 HD12 ILE 34 1HD1 ILE 34 7.861 1.777 1.933
225 HD13 ILE 34 2HD1 ILE 34 8.819 2.471 3.241
226 H HIS 35 H HIS 35 8.055 5.946 -0.405
227 HA HIS 35 HA HIS 35 10.401 4.410 -1.174
228 HB2 HIS 35 1HB HIS 35 7.782 5.072 -2.456
229 HB3 HIS 35 2HB HIS 35 9.133 4.598 -3.482
230 HD1 HIS 35 HD1 HIS 35 10.367 2.332 -1.923
231 HD2 HIS 35 HD2 HIS 35 6.261 2.842 -2.298
232 HE1 HIS 35 HE1 HIS 35 9.368 0.061 -1.517
233 H THR 36 H THR 36 8.961 7.570 -1.756
234 HA THR 36 HA THR 36 10.978 8.336 -3.670
235 HB THR 36 HB THR 36 9.915 10.629 -3.417
236 HG1 THR 36 HG1 THR 36 7.761 9.346 -2.152
237 HG21 THR 36 3HG2 THR 36 7.572 9.438 -4.235
238 HG22 THR 36 1HG2 THR 36 8.776 8.188 -4.542
239 HG23 THR 36 2HG2 THR 36 8.961 9.787 -5.264
240 H GLY 37 H GLY 37 12.875 7.978 -2.371
241 HA2 GLY 37 1HA GLY 37 13.926 10.304 -1.227
242 HA3 GLY 37 2HA GLY 37 13.358 9.281 0.083
243 H GLU 38 H GLU 38 14.841 7.993 0.929
244 HA GLU 38 HA GLU 38 17.214 7.346 -0.670
245 HB2 GLU 38 1HB GLU 38 17.618 8.470 1.472
246 HB3 GLU 38 2HB GLU 38 16.770 7.181 2.316
247 HG2 GLU 38 1HG GLU 38 19.287 6.818 0.707
248 HG3 GLU 38 2HG GLU 38 19.221 6.997 2.460
249 H LYS 39 H LYS 39 17.387 5.390 -1.518
250 HA LYS 39 HA LYS 39 16.382 3.073 -0.057
251 HB2 LYS 39 1HB LYS 39 15.101 2.207 -1.870
252 HB3 LYS 39 2HB LYS 39 14.572 3.865 -1.620
253 HG2 LYS 39 1HG LYS 39 16.403 4.344 -3.468
254 HG3 LYS 39 2HG LYS 39 16.058 2.664 -3.888
255 HD2 LYS 39 1HD LYS 39 13.747 3.148 -4.234
256 HD3 LYS 39 2HD LYS 39 13.926 4.768 -3.557
257 HE2 LYS 39 1HE LYS 39 13.969 5.255 -5.793
258 HE3 LYS 39 2HE LYS 39 15.690 5.022 -5.491
259 HZ1 LYS 39 3HZ LYS 39 13.894 2.882 -6.487
260 HZ2 LYS 39 1HZ LYS 39 15.583 2.840 -6.387
261 HZ3 LYS 39 2HZ LYS 39 14.827 3.868 -7.497
262 HA PRO 40 HA PRO 40 20.116 1.255 -1.499
263 HB2 PRO 40 1HB PRO 40 19.439 -1.371 -1.372
264 HB3 PRO 40 2HB PRO 40 19.755 -0.390 0.064
265 HG2 PRO 40 1HG PRO 40 17.136 -1.164 -1.162
266 HG3 PRO 40 2HG PRO 40 17.606 -1.135 0.547
267 HD2 PRO 40 1HD PRO 40 16.141 0.835 -0.595
268 HD3 PRO 40 2HD PRO 40 17.287 1.141 0.726
269 H SER 41 H SER 41 20.713 -0.762 -3.015
270 HA SER 41 HA SER 41 18.994 -1.000 -5.327
271 HB2 SER 41 1HB SER 41 20.145 1.125 -5.786
272 HB3 SER 41 2HB SER 41 21.705 0.329 -5.576
273 HG SER 41 HG SER 41 21.052 -1.066 -7.344
274 H GLY 42 H GLY 42 19.411 -2.817 -6.521
275 HA2 GLY 42 1HA GLY 42 21.913 -4.241 -6.247
276 HA3 GLY 42 2HA GLY 42 20.551 -5.024 -5.458
277 HA PRO 43 HA PRO 43 19.254 -6.869 -9.210
278 HB2 PRO 43 1HB PRO 43 16.559 -6.544 -9.201
279 HB3 PRO 43 2HB PRO 43 17.396 -7.656 -8.112
280 HG2 PRO 43 1HG PRO 43 16.377 -4.891 -7.581
281 HG3 PRO 43 2HG PRO 43 16.271 -6.338 -6.561
282 HD2 PRO 43 1HD PRO 43 18.113 -4.396 -6.148
283 HD3 PRO 43 2HD PRO 43 18.431 -6.105 -5.788
284 H SER 44 H SER 44 18.773 -6.474 -11.358
285 HA SER 44 HA SER 44 19.105 -3.861 -12.316
286 HB2 SER 44 1HB SER 44 19.609 -5.981 -13.577
287 HB3 SER 44 2HB SER 44 17.875 -6.166 -13.841
288 HG SER 44 HG SER 44 18.195 -4.930 -15.503
289 H SER 45 H SER 45 17.531 -2.822 -13.898
290 HA SER 45 HA SER 45 15.643 -1.517 -13.974
291 HB2 SER 45 1HB SER 45 13.675 -2.754 -14.581
292 HB3 SER 45 2HB SER 45 15.065 -3.632 -15.219
293 HG SER 45 HG SER 45 13.436 -4.257 -13.005
294 H GLY 46 H GLY 46 16.624 -1.597 -11.377
295 HA2 GLY 46 1HA GLY 46 14.334 -2.087 -9.629
296 HA3 GLY 46 2HA GLY 46 15.964 -1.678 -9.116
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -5.343 -22.565 -8.021
2 HA2 GLY 1 1HA GLY 1 -5.408 -22.333 -10.769
3 HA3 GLY 1 2HA GLY 1 -6.752 -22.921 -9.801
4 H SER 2 H SER 2 -8.478 -21.986 -10.731
5 HA SER 2 HA SER 2 -8.590 -19.504 -11.966
6 HB2 SER 2 1HB SER 2 -10.335 -21.492 -11.795
7 HB3 SER 2 2HB SER 2 -11.005 -20.491 -10.506
8 HG SER 2 HG SER 2 -11.784 -19.210 -11.968
9 H SER 3 H SER 3 -9.909 -20.262 -8.737
10 HA SER 3 HA SER 3 -10.410 -17.639 -7.961
11 HB2 SER 3 1HB SER 3 -9.804 -20.117 -6.348
12 HB3 SER 3 2HB SER 3 -10.220 -18.578 -5.593
13 HG SER 3 HG SER 3 -11.848 -19.746 -7.585
14 H GLY 4 H GLY 4 -9.251 -16.723 -5.874
15 HA2 GLY 4 1HA GLY 4 -6.533 -17.058 -5.425
16 HA3 GLY 4 2HA GLY 4 -6.674 -15.885 -6.727
17 H SER 5 H SER 5 -8.491 -14.173 -6.187
18 HA SER 5 HA SER 5 -8.174 -13.337 -3.384
19 HB2 SER 5 1HB SER 5 -7.946 -10.984 -4.194
20 HB3 SER 5 2HB SER 5 -6.599 -12.020 -4.667
21 HG SER 5 HG SER 5 -8.382 -10.683 -6.221
22 H SER 6 H SER 6 -10.080 -13.092 -2.447
23 HA SER 6 HA SER 6 -12.365 -12.232 -4.099
24 HB2 SER 6 1HB SER 6 -13.814 -13.598 -2.619
25 HB3 SER 6 2HB SER 6 -12.632 -14.578 -3.486
26 HG SER 6 HG SER 6 -13.014 -14.678 -0.979
27 H GLY 7 H GLY 7 -13.921 -10.889 -3.101
28 HA2 GLY 7 1HA GLY 7 -14.022 -10.041 -0.482
29 HA3 GLY 7 2HA GLY 7 -12.812 -9.021 -1.246
30 H THR 8 H THR 8 -14.266 -7.257 -0.726
31 HA THR 8 HA THR 8 -16.578 -7.086 -2.543
32 HB THR 8 HB THR 8 -17.307 -5.185 -1.025
33 HG1 THR 8 HG1 THR 8 -15.787 -4.640 0.355
34 HG21 THR 8 3HG2 THR 8 -18.223 -7.525 -0.973
35 HG22 THR 8 1HG2 THR 8 -18.356 -6.645 0.549
36 HG23 THR 8 2HG2 THR 8 -17.100 -7.865 0.343
37 H GLY 9 H GLY 9 -13.548 -6.393 -2.798
38 HA2 GLY 9 1HA GLY 9 -13.753 -4.398 -4.700
39 HA3 GLY 9 2HA GLY 9 -13.444 -3.571 -3.180
40 H GLU 10 H GLU 10 -12.163 -5.842 -5.528
41 HA GLU 10 HA GLU 10 -9.745 -6.500 -4.359
42 HB2 GLU 10 1HB GLU 10 -10.388 -6.012 -7.271
43 HB3 GLU 10 2HB GLU 10 -8.893 -6.743 -6.704
44 HG2 GLU 10 1HG GLU 10 -11.649 -7.851 -6.221
45 HG3 GLU 10 2HG GLU 10 -10.540 -8.394 -7.478
46 H LYS 11 H LYS 11 -8.089 -5.324 -3.689
47 HA LYS 11 HA LYS 11 -7.768 -2.687 -3.572
48 HB2 LYS 11 1HB LYS 11 -5.778 -4.880 -3.882
49 HB3 LYS 11 2HB LYS 11 -5.192 -3.227 -4.006
50 HG2 LYS 11 1HG LYS 11 -4.910 -3.637 -1.771
51 HG3 LYS 11 2HG LYS 11 -6.511 -2.895 -1.779
52 HD2 LYS 11 1HD LYS 11 -6.317 -5.852 -2.065
53 HD3 LYS 11 2HD LYS 11 -6.038 -5.142 -0.473
54 HE2 LYS 11 1HE LYS 11 -8.197 -4.402 -0.275
55 HE3 LYS 11 2HE LYS 11 -8.422 -4.259 -2.018
56 HZ1 LYS 11 3HZ LYS 11 -8.238 -6.842 -0.568
57 HZ2 LYS 11 1HZ LYS 11 -8.624 -6.619 -2.200
58 HZ3 LYS 11 2HZ LYS 11 -9.693 -6.095 -0.999
59 HA PRO 12 HA PRO 12 -7.837 -1.721 -8.012
60 HB2 PRO 12 1HB PRO 12 -8.649 0.844 -7.649
61 HB3 PRO 12 2HB PRO 12 -9.766 -0.527 -7.648
62 HG2 PRO 12 1HG PRO 12 -8.573 0.946 -5.331
63 HG3 PRO 12 2HG PRO 12 -10.239 0.382 -5.561
64 HD2 PRO 12 1HD PRO 12 -8.447 -0.953 -4.032
65 HD3 PRO 12 2HD PRO 12 -9.726 -1.779 -4.946
66 H PHE 13 H PHE 13 -5.879 -0.818 -5.466
67 HA PHE 13 HA PHE 13 -4.050 0.565 -7.288
68 HB2 PHE 13 1HB PHE 13 -5.108 1.607 -4.686
69 HB3 PHE 13 2HB PHE 13 -3.473 2.027 -5.187
70 HD1 PHE 13 HD2 PHE 13 -7.034 2.434 -5.890
71 HD2 PHE 13 HD1 PHE 13 -3.082 3.461 -7.090
72 HE1 PHE 13 HE2 PHE 13 -7.935 4.238 -7.300
73 HE2 PHE 13 HE1 PHE 13 -3.976 5.267 -8.501
74 HZ PHE 13 HZ PHE 13 -6.405 5.657 -8.608
75 H GLU 14 H GLU 14 -2.291 -0.660 -7.349
76 HA GLU 14 HA GLU 14 -1.293 -1.801 -4.823
77 HB2 GLU 14 1HB GLU 14 -1.445 -3.041 -7.559
78 HB3 GLU 14 2HB GLU 14 -0.298 -3.616 -6.358
79 HG2 GLU 14 1HG GLU 14 -2.039 -5.039 -5.991
80 HG3 GLU 14 2HG GLU 14 -2.421 -3.762 -4.838
81 H CYS 15 H CYS 15 0.786 -1.416 -4.332
82 HA CYS 15 HA CYS 15 2.252 0.492 -5.856
83 HB2 CYS 15 1HB CYS 15 2.363 0.319 -3.377
84 HB3 CYS 15 2HB CYS 15 3.208 -1.217 -3.549
85 H ALA 16 H ALA 16 3.475 0.119 -7.571
86 HA ALA 16 HA ALA 16 4.335 -2.601 -8.171
87 HB1 ALA 16 3HB ALA 16 5.115 -0.608 -10.118
88 HB2 ALA 16 1HB ALA 16 4.094 -2.033 -10.308
89 HB3 ALA 16 2HB ALA 16 3.395 -0.516 -9.740
90 H GLU 17 H GLU 17 5.649 -1.370 -5.996
91 HA GLU 17 HA GLU 17 8.371 -1.146 -7.093
92 HB2 GLU 17 1HB GLU 17 7.099 0.489 -4.903
93 HB3 GLU 17 2HB GLU 17 8.841 0.378 -5.107
94 HG2 GLU 17 1HG GLU 17 8.314 1.108 -7.554
95 HG3 GLU 17 2HG GLU 17 6.811 1.693 -6.844
96 H CYS 18 H CYS 18 6.688 -1.543 -3.970
97 HA CYS 18 HA CYS 18 8.747 -3.453 -3.150
98 HB2 CYS 18 1HB CYS 18 7.763 -3.227 -0.900
99 HB3 CYS 18 2HB CYS 18 8.227 -1.667 -1.571
100 H GLY 19 H GLY 19 5.207 -3.196 -3.387
101 HA2 GLY 19 1HA GLY 19 4.117 -5.167 -4.446
102 HA3 GLY 19 2HA GLY 19 5.107 -6.150 -3.378
103 H LYS 20 H LYS 20 3.076 -3.265 -2.876
104 HA LYS 20 HA LYS 20 1.539 -4.809 -0.896
105 HB2 LYS 20 1HB LYS 20 2.880 -2.156 -0.607
106 HB3 LYS 20 2HB LYS 20 1.358 -2.422 0.234
107 HG2 LYS 20 1HG LYS 20 2.248 -4.079 1.589
108 HG3 LYS 20 2HG LYS 20 3.602 -4.382 0.497
109 HD2 LYS 20 1HD LYS 20 4.149 -1.853 1.082
110 HD3 LYS 20 2HD LYS 20 3.240 -2.254 2.541
111 HE2 LYS 20 1HE LYS 20 5.397 -4.088 1.593
112 HE3 LYS 20 2HE LYS 20 5.829 -2.611 2.453
113 HZ1 LYS 20 3HZ LYS 20 5.417 -3.681 4.330
114 HZ2 LYS 20 1HZ LYS 20 4.864 -5.048 3.500
115 HZ3 LYS 20 2HZ LYS 20 3.787 -3.806 3.895
116 H SER 21 H SER 21 -0.619 -4.647 -1.051
117 HA SER 21 HA SER 21 -1.695 -2.941 -3.164
118 HB2 SER 21 1HB SER 21 -3.615 -4.353 -3.158
119 HB3 SER 21 2HB SER 21 -2.223 -5.425 -3.007
120 HG SER 21 HG SER 21 -3.162 -6.126 -1.274
121 H PHE 22 H PHE 22 -3.673 -1.734 -2.813
122 HA PHE 22 HA PHE 22 -4.236 -1.026 -0.030
123 HB2 PHE 22 1HB PHE 22 -3.619 0.999 -2.193
124 HB3 PHE 22 2HB PHE 22 -4.169 1.379 -0.564
125 HD1 PHE 22 HD2 PHE 22 -2.690 1.015 1.360
126 HD2 PHE 22 HD1 PHE 22 -1.356 0.400 -2.635
127 HE1 PHE 22 HE2 PHE 22 -0.356 1.060 2.136
128 HE2 PHE 22 HE1 PHE 22 0.981 0.443 -1.865
129 HZ PHE 22 HZ PHE 22 1.483 0.775 0.524
130 H SER 23 H SER 23 -6.320 -0.310 0.355
131 HA SER 23 HA SER 23 -8.282 -1.128 -1.558
132 HB2 SER 23 1HB SER 23 -8.560 -1.366 0.917
133 HB3 SER 23 2HB SER 23 -8.711 0.388 1.027
134 HG SER 23 HG SER 23 -10.732 0.105 0.572
135 H ILE 24 H ILE 24 -7.066 1.961 -0.381
136 HA ILE 24 HA ILE 24 -8.634 3.299 -2.488
137 HB ILE 24 HB ILE 24 -8.358 5.370 -0.965
138 HG12 ILE 24 1HG1 ILE 24 -8.053 3.162 1.082
139 HG13 ILE 24 2HG1 ILE 24 -6.784 4.287 0.610
140 HG21 ILE 24 1HG2 ILE 24 -10.539 5.091 -0.648
141 HG22 ILE 24 2HG2 ILE 24 -10.357 3.453 -1.273
142 HG23 ILE 24 3HG2 ILE 24 -10.265 3.749 0.463
143 HD11 ILE 24 3HD1 ILE 24 -9.002 5.846 1.343
144 HD12 ILE 24 1HD1 ILE 24 -8.831 4.592 2.571
145 HD13 ILE 24 2HD1 ILE 24 -7.472 5.655 2.200
146 H SER 25 H SER 25 -7.652 5.146 -3.481
147 HA SER 25 HA SER 25 -4.954 4.766 -4.164
148 HB2 SER 25 1HB SER 25 -5.151 6.946 -5.326
149 HB3 SER 25 2HB SER 25 -6.515 5.883 -5.672
150 HG SER 25 HG SER 25 -7.129 8.061 -5.167
151 H SER 26 H SER 26 -6.487 7.238 -2.114
152 HA SER 26 HA SER 26 -4.432 8.835 -1.423
153 HB2 SER 26 1HB SER 26 -6.839 8.776 -0.491
154 HB3 SER 26 2HB SER 26 -6.186 7.708 0.751
155 HG SER 26 HG SER 26 -5.509 10.397 0.205
156 H GLN 27 H GLN 27 -5.164 5.815 0.334
157 HA GLN 27 HA GLN 27 -3.071 5.729 2.073
158 HB2 GLN 27 1HB GLN 27 -4.610 3.624 0.635
159 HB3 GLN 27 2HB GLN 27 -3.161 3.131 1.502
160 HG2 GLN 27 1HG GLN 27 -4.035 3.952 3.567
161 HG3 GLN 27 2HG GLN 27 -5.413 4.685 2.748
162 HE21 GLN 27 1HE2 GLN 27 -5.022 2.510 4.849
163 HE22 GLN 27 2HE2 GLN 27 -6.020 1.217 4.288
164 H LEU 28 H LEU 28 -3.015 4.369 -1.223
165 HA LEU 28 HA LEU 28 -0.412 3.491 -1.307
166 HB2 LEU 28 1HB LEU 28 -1.916 3.033 -3.105
167 HB3 LEU 28 2HB LEU 28 -2.086 4.749 -3.470
168 HG LEU 28 HG LEU 28 0.251 4.805 -4.229
169 HD11 LEU 28 1HD1 LEU 28 1.703 3.184 -3.796
170 HD12 LEU 28 2HD1 LEU 28 0.639 1.965 -4.496
171 HD13 LEU 28 3HD1 LEU 28 0.465 2.418 -2.800
172 HD21 LEU 28 3HD2 LEU 28 -1.689 2.891 -5.470
173 HD22 LEU 28 1HD2 LEU 28 -0.105 3.167 -6.196
174 HD23 LEU 28 2HD2 LEU 28 -1.228 4.512 -5.992
175 H ALA 29 H ALA 29 -1.626 6.770 -1.681
176 HA ALA 29 HA ALA 29 0.782 7.950 -2.574
177 HB1 ALA 29 3HB ALA 29 -0.242 10.065 -2.021
178 HB2 ALA 29 1HB ALA 29 -1.437 9.011 -2.777
179 HB3 ALA 29 2HB ALA 29 -1.455 9.255 -1.030
180 H THR 30 H THR 30 -0.677 7.753 0.670
181 HA THR 30 HA THR 30 1.461 9.038 2.002
182 HB THR 30 HB THR 30 -0.569 7.103 3.135
183 HG1 THR 30 HG1 THR 30 -0.648 9.934 3.282
184 HG21 THR 30 3HG2 THR 30 0.888 7.240 4.879
185 HG22 THR 30 1HG2 THR 30 0.003 8.736 5.173
186 HG23 THR 30 2HG2 THR 30 1.559 8.780 4.342
187 H HIS 31 H HIS 31 1.263 6.000 0.583
188 HA HIS 31 HA HIS 31 3.152 4.737 2.410
189 HB2 HIS 31 1HB HIS 31 1.635 3.128 1.755
190 HB3 HIS 31 2HB HIS 31 1.454 3.803 0.138
191 HD1 HIS 31 HD1 HIS 31 3.668 1.548 2.161
192 HD2 HIS 31 HD2 HIS 31 3.208 2.804 -1.772
193 HE1 HIS 31 HE1 HIS 31 5.144 0.037 0.796
194 H GLN 32 H GLN 32 2.973 5.275 -1.116
195 HA GLN 32 HA GLN 32 5.535 4.630 -1.814
196 HB2 GLN 32 1HB GLN 32 3.731 6.791 -2.890
197 HB3 GLN 32 2HB GLN 32 5.279 6.402 -3.627
198 HG2 GLN 32 1HG GLN 32 3.278 4.241 -3.161
199 HG3 GLN 32 2HG GLN 32 3.091 5.334 -4.531
200 HE21 GLN 32 1HE2 GLN 32 3.469 3.814 -6.090
201 HE22 GLN 32 2HE2 GLN 32 5.008 3.071 -6.337
202 H ARG 33 H ARG 33 4.516 7.270 0.116
203 HA ARG 33 HA ARG 33 6.485 9.171 -0.311
204 HB2 ARG 33 1HB ARG 33 5.859 10.115 1.722
205 HB3 ARG 33 2HB ARG 33 4.425 9.209 1.260
206 HG2 ARG 33 1HG ARG 33 4.899 7.486 2.809
207 HG3 ARG 33 2HG ARG 33 6.525 8.106 3.102
208 HD2 ARG 33 1HD ARG 33 4.233 9.916 3.635
209 HD3 ARG 33 2HD ARG 33 4.505 8.584 4.758
210 HE ARG 33 HE ARG 33 6.955 9.756 4.476
211 HH11 ARG 33 1HH1 ARG 33 3.786 10.857 5.408
212 HH12 ARG 33 2HH1 ARG 33 4.384 12.097 6.461
213 HH21 ARG 33 1HH2 ARG 33 7.754 11.385 5.859
214 HH22 ARG 33 2HH2 ARG 33 6.641 12.397 6.715
215 H ILE 34 H ILE 34 6.830 6.010 0.856
216 HA ILE 34 HA ILE 34 9.289 6.560 2.318
217 HB ILE 34 HB ILE 34 9.303 4.253 2.938
218 HG12 ILE 34 1HG1 ILE 34 6.922 3.750 1.158
219 HG13 ILE 34 2HG1 ILE 34 8.573 3.489 0.606
220 HG21 ILE 34 1HG2 ILE 34 6.780 4.029 3.676
221 HG22 ILE 34 2HG2 ILE 34 7.841 5.245 4.385
222 HG23 ILE 34 3HG2 ILE 34 6.711 5.698 3.109
223 HD11 ILE 34 3HD1 ILE 34 7.133 2.081 2.833
224 HD12 ILE 34 1HD1 ILE 34 7.722 1.400 1.318
225 HD13 ILE 34 2HD1 ILE 34 8.867 1.935 2.549
226 H HIS 35 H HIS 35 8.252 5.533 -0.806
227 HA HIS 35 HA HIS 35 10.768 4.324 -1.538
228 HB2 HIS 35 1HB HIS 35 8.246 4.978 -3.048
229 HB3 HIS 35 2HB HIS 35 9.691 4.399 -3.872
230 HD1 HIS 35 HD1 HIS 35 10.602 1.997 -2.872
231 HD2 HIS 35 HD2 HIS 35 6.628 2.992 -2.177
232 HE1 HIS 35 HE1 HIS 35 9.459 -0.166 -2.290
233 H THR 36 H THR 36 10.380 7.274 -0.722
234 HA THR 36 HA THR 36 11.487 8.567 -3.107
235 HB THR 36 HB THR 36 11.098 10.687 -1.969
236 HG1 THR 36 HG1 THR 36 11.331 9.428 0.209
237 HG21 THR 36 3HG2 THR 36 8.513 9.461 -1.366
238 HG22 THR 36 1HG2 THR 36 9.157 9.009 -2.943
239 HG23 THR 36 2HG2 THR 36 8.927 10.710 -2.540
240 H GLY 37 H GLY 37 13.032 6.682 -1.476
241 HA2 GLY 37 1HA GLY 37 14.815 7.991 0.255
242 HA3 GLY 37 2HA GLY 37 15.142 6.488 -0.597
243 H GLU 38 H GLU 38 17.252 8.040 -0.230
244 HA GLU 38 HA GLU 38 17.630 9.481 -2.771
245 HB2 GLU 38 1HB GLU 38 17.892 10.745 -0.572
246 HB3 GLU 38 2HB GLU 38 19.339 9.782 -0.308
247 HG2 GLU 38 1HG GLU 38 20.267 11.621 -1.262
248 HG3 GLU 38 2HG GLU 38 19.959 10.661 -2.708
249 H LYS 39 H LYS 39 18.403 6.676 -1.117
250 HA LYS 39 HA LYS 39 21.086 6.250 -1.844
251 HB2 LYS 39 1HB LYS 39 18.809 4.507 -1.024
252 HB3 LYS 39 2HB LYS 39 20.221 3.740 -1.740
253 HG2 LYS 39 1HG LYS 39 21.542 5.125 0.013
254 HG3 LYS 39 2HG LYS 39 19.982 5.237 0.831
255 HD2 LYS 39 1HD LYS 39 21.186 2.623 -0.054
256 HD3 LYS 39 2HD LYS 39 21.472 3.322 1.542
257 HE2 LYS 39 1HE LYS 39 19.685 1.940 1.973
258 HE3 LYS 39 2HE LYS 39 18.863 3.460 1.624
259 HZ1 LYS 39 3HZ LYS 39 18.846 2.528 -0.782
260 HZ2 LYS 39 1HZ LYS 39 17.697 1.986 0.336
261 HZ3 LYS 39 2HZ LYS 39 19.047 1.032 -0.020
262 HA PRO 40 HA PRO 40 20.838 5.561 -6.187
263 HB2 PRO 40 1HB PRO 40 23.109 4.109 -6.512
264 HB3 PRO 40 2HB PRO 40 23.117 5.851 -6.209
265 HG2 PRO 40 1HG PRO 40 23.555 3.592 -4.293
266 HG3 PRO 40 2HG PRO 40 24.436 5.124 -4.437
267 HD2 PRO 40 1HD PRO 40 22.534 4.708 -2.555
268 HD3 PRO 40 2HD PRO 40 22.828 6.302 -3.279
269 H SER 41 H SER 41 20.419 3.936 -7.726
270 HA SER 41 HA SER 41 19.790 1.297 -6.574
271 HB2 SER 41 1HB SER 41 17.848 2.791 -7.340
272 HB3 SER 41 2HB SER 41 18.412 2.481 -8.982
273 HG SER 41 HG SER 41 17.030 0.859 -7.277
274 H GLY 42 H GLY 42 22.339 1.918 -7.610
275 HA2 GLY 42 1HA GLY 42 22.394 0.676 -10.266
276 HA3 GLY 42 2HA GLY 42 23.735 1.497 -9.481
277 HA PRO 43 HA PRO 43 25.422 -2.385 -8.346
278 HB2 PRO 43 1HB PRO 43 26.738 -1.725 -6.065
279 HB3 PRO 43 2HB PRO 43 27.293 -1.235 -7.670
280 HG2 PRO 43 1HG PRO 43 25.754 0.333 -5.637
281 HG3 PRO 43 2HG PRO 43 27.117 0.846 -6.649
282 HD2 PRO 43 1HD PRO 43 24.548 1.464 -7.243
283 HD3 PRO 43 2HD PRO 43 25.780 1.195 -8.493
284 H SER 44 H SER 44 24.438 -4.099 -7.497
285 HA SER 44 HA SER 44 22.254 -4.129 -5.867
286 HB2 SER 44 1HB SER 44 24.442 -6.191 -6.160
287 HB3 SER 44 2HB SER 44 22.962 -6.493 -5.249
288 HG SER 44 HG SER 44 22.711 -5.488 -7.839
289 H SER 45 H SER 45 22.128 -2.989 -4.025
290 HA SER 45 HA SER 45 24.171 -3.497 -1.961
291 HB2 SER 45 1HB SER 45 23.676 -1.270 -1.057
292 HB3 SER 45 2HB SER 45 24.179 -1.159 -2.743
293 HG SER 45 HG SER 45 21.450 -1.400 -2.203
294 H GLY 46 H GLY 46 22.044 -5.251 -2.277
295 HA2 GLY 46 1HA GLY 46 21.077 -5.660 0.225
296 HA3 GLY 46 2HA GLY 46 19.910 -4.544 -0.469
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