Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504441 | 2em1 RC | 10166 | 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 -4.093 -11.848 12.170
2 HA2 GLY 1 1HA GLY 1 -3.170 -10.875 10.308
3 HA3 GLY 1 2HA GLY 1 -2.529 -12.467 9.928
4 H SER 2 H SER 2 -5.727 -10.881 9.939
5 HA SER 2 HA SER 2 -6.398 -12.312 7.483
6 HB2 SER 2 1HB SER 2 -8.689 -11.393 7.881
7 HB3 SER 2 2HB SER 2 -8.085 -12.370 9.219
8 HG SER 2 HG SER 2 -8.951 -9.886 9.307
9 H SER 3 H SER 3 -5.296 -11.267 5.869
10 HA SER 3 HA SER 3 -6.331 -8.647 5.132
11 HB2 SER 3 1HB SER 3 -4.135 -7.669 4.782
12 HB3 SER 3 2HB SER 3 -4.267 -8.206 6.457
13 HG SER 3 HG SER 3 -3.161 -9.886 4.484
14 H GLY 4 H GLY 4 -6.737 -8.542 3.014
15 HA2 GLY 4 1HA GLY 4 -5.274 -9.294 0.871
16 HA3 GLY 4 2HA GLY 4 -6.039 -10.802 1.348
17 H SER 5 H SER 5 -8.528 -10.309 1.927
18 HA SER 5 HA SER 5 -9.848 -9.983 -0.467
19 HB2 SER 5 1HB SER 5 -11.887 -9.899 0.782
20 HB3 SER 5 2HB SER 5 -10.783 -10.937 1.684
21 HG SER 5 HG SER 5 -10.275 -8.691 2.706
22 H SER 6 H SER 6 -10.301 -8.309 -1.728
23 HA SER 6 HA SER 6 -10.607 -5.647 -0.560
24 HB2 SER 6 1HB SER 6 -8.249 -5.782 -1.238
25 HB3 SER 6 2HB SER 6 -8.738 -6.248 -2.866
26 HG SER 6 HG SER 6 -9.316 -3.791 -1.565
27 H GLY 7 H GLY 7 -12.320 -4.630 -1.377
28 HA2 GLY 7 1HA GLY 7 -13.848 -5.853 -3.480
29 HA3 GLY 7 2HA GLY 7 -14.256 -4.378 -2.615
30 H GLU 8 H GLU 8 -13.646 -2.396 -3.441
31 HA GLU 8 HA GLU 8 -12.138 -2.367 -5.949
32 HB2 GLU 8 1HB GLU 8 -14.858 -1.095 -5.593
33 HB3 GLU 8 2HB GLU 8 -13.813 -0.873 -6.989
34 HG2 GLU 8 1HG GLU 8 -13.922 -3.484 -7.103
35 HG3 GLU 8 2HG GLU 8 -15.394 -3.254 -6.161
36 H LYS 9 H LYS 9 -10.756 -0.709 -6.085
37 HA LYS 9 HA LYS 9 -11.211 1.686 -4.466
38 HB2 LYS 9 1HB LYS 9 -8.909 -0.207 -4.222
39 HB3 LYS 9 2HB LYS 9 -8.624 1.512 -3.983
40 HG2 LYS 9 1HG LYS 9 -9.879 1.594 -2.063
41 HG3 LYS 9 2HG LYS 9 -10.856 0.194 -2.513
42 HD2 LYS 9 1HD LYS 9 -8.818 -1.223 -2.200
43 HD3 LYS 9 2HD LYS 9 -7.994 0.201 -1.561
44 HE2 LYS 9 1HE LYS 9 -9.675 0.376 0.208
45 HE3 LYS 9 2HE LYS 9 -10.504 -1.040 -0.435
46 HZ1 LYS 9 3HZ LYS 9 -7.697 -1.069 0.524
47 HZ2 LYS 9 1HZ LYS 9 -8.646 -2.403 0.099
48 HZ3 LYS 9 2HZ LYS 9 -9.022 -1.503 1.481
49 HA PRO 10 HA PRO 10 -9.995 3.282 -8.468
50 HB2 PRO 10 1HB PRO 10 -10.536 5.875 -7.873
51 HB3 PRO 10 2HB PRO 10 -11.791 4.703 -8.290
52 HG2 PRO 10 1HG PRO 10 -10.925 5.672 -5.593
53 HG3 PRO 10 2HG PRO 10 -12.565 5.404 -6.212
54 HD2 PRO 10 1HD PRO 10 -11.307 3.628 -4.601
55 HD3 PRO 10 2HD PRO 10 -12.465 3.130 -5.851
56 H TYR 11 H TYR 11 -8.409 3.361 -5.603
57 HA TYR 11 HA TYR 11 -6.217 4.960 -6.735
58 HB2 TYR 11 1HB TYR 11 -7.056 4.960 -3.829
59 HB3 TYR 11 2HB TYR 11 -5.695 5.841 -4.513
60 HD1 TYR 11 HD2 TYR 11 -9.371 5.653 -4.344
61 HD2 TYR 11 HD1 TYR 11 -6.019 7.908 -5.679
62 HE1 TYR 11 HE2 TYR 11 -10.844 7.572 -4.785
63 HE2 TYR 11 HE1 TYR 11 -7.483 9.834 -6.122
64 HH TYR 11 HH TYR 11 -10.077 10.477 -4.963
65 H SER 12 H SER 12 -4.656 3.553 -7.174
66 HA SER 12 HA SER 12 -3.883 1.634 -5.088
67 HB2 SER 12 1HB SER 12 -3.326 0.032 -7.015
68 HB3 SER 12 2HB SER 12 -5.030 0.231 -6.605
69 HG SER 12 HG SER 12 -5.210 0.674 -8.655
70 H CYS 13 H CYS 13 -1.687 1.167 -4.957
71 HA CYS 13 HA CYS 13 0.047 3.221 -5.981
72 HB2 CYS 13 1HB CYS 13 0.392 2.421 -3.720
73 HB3 CYS 13 2HB CYS 13 0.601 0.771 -4.297
74 H ASN 14 H ASN 14 2.056 2.771 -7.122
75 HA ASN 14 HA ASN 14 1.819 0.455 -8.930
76 HB2 ASN 14 1HB ASN 14 1.473 2.935 -9.796
77 HB3 ASN 14 2HB ASN 14 3.234 2.935 -9.807
78 HD21 ASN 14 1HD2 ASN 14 4.183 0.905 -10.851
79 HD22 ASN 14 2HD2 ASN 14 3.462 0.424 -12.345
80 H GLU 15 H GLU 15 3.958 2.570 -7.119
81 HA GLU 15 HA GLU 15 6.427 1.575 -7.928
82 HB2 GLU 15 1HB GLU 15 5.946 2.317 -5.066
83 HB3 GLU 15 2HB GLU 15 7.340 2.658 -6.082
84 HG2 GLU 15 1HG GLU 15 5.576 4.086 -7.424
85 HG3 GLU 15 2HG GLU 15 4.749 4.089 -5.867
86 H CYS 16 H CYS 16 4.832 0.726 -4.854
87 HA CYS 16 HA CYS 16 6.225 -1.850 -4.914
88 HB2 CYS 16 1HB CYS 16 5.918 -1.969 -2.582
89 HB3 CYS 16 2HB CYS 16 6.283 -0.275 -2.891
90 H GLY 17 H GLY 17 3.006 -0.438 -4.823
91 HA2 GLY 17 1HA GLY 17 1.214 -1.602 -5.965
92 HA3 GLY 17 2HA GLY 17 1.915 -3.115 -5.411
93 H LYS 18 H LYS 18 -0.582 -1.050 -4.945
94 HA LYS 18 HA LYS 18 -1.520 -2.362 -2.635
95 HB2 LYS 18 1HB LYS 18 0.244 -0.910 -1.600
96 HB3 LYS 18 2HB LYS 18 -0.659 0.495 -2.153
97 HG2 LYS 18 1HG LYS 18 -2.322 0.207 -0.614
98 HG3 LYS 18 2HG LYS 18 -2.076 -1.538 -0.511
99 HD2 LYS 18 1HD LYS 18 -0.050 -1.216 0.766
100 HD3 LYS 18 2HD LYS 18 -0.168 0.534 0.572
101 HE2 LYS 18 1HE LYS 18 -1.037 0.229 2.688
102 HE3 LYS 18 2HE LYS 18 -2.494 0.234 1.695
103 HZ1 LYS 18 3HZ LYS 18 -1.113 -2.099 2.885
104 HZ2 LYS 18 1HZ LYS 18 -2.270 -2.260 1.661
105 HZ3 LYS 18 2HZ LYS 18 -2.701 -1.580 3.149
106 H ALA 19 H ALA 19 -3.499 -1.145 -1.709
107 HA ALA 19 HA ALA 19 -4.837 0.364 -3.854
108 HB1 ALA 19 3HB ALA 19 -6.027 -1.518 -4.192
109 HB2 ALA 19 1HB ALA 19 -5.645 -2.174 -2.600
110 HB3 ALA 19 2HB ALA 19 -6.920 -0.968 -2.775
111 H PHE 20 H PHE 20 -6.627 1.693 -3.135
112 HA PHE 20 HA PHE 20 -6.995 2.153 -0.318
113 HB2 PHE 20 1HB PHE 20 -5.656 4.262 -2.024
114 HB3 PHE 20 2HB PHE 20 -6.294 4.538 -0.407
115 HD1 PHE 20 HD2 PHE 20 -5.210 3.531 1.544
116 HD2 PHE 20 HD1 PHE 20 -3.591 3.116 -2.371
117 HE1 PHE 20 HE2 PHE 20 -3.062 2.824 2.511
118 HE2 PHE 20 HE1 PHE 20 -1.440 2.407 -1.409
119 HZ PHE 20 HZ PHE 20 -1.173 2.261 1.035
120 H THR 21 H THR 21 -8.893 3.198 0.128
121 HA THR 21 HA THR 21 -10.788 3.394 -2.009
122 HB THR 21 HB THR 21 -11.169 4.316 0.843
123 HG1 THR 21 HG1 THR 21 -10.734 2.231 1.165
124 HG21 THR 21 3HG2 THR 21 -12.829 4.451 -1.404
125 HG22 THR 21 1HG2 THR 21 -13.296 4.688 0.280
126 HG23 THR 21 2HG2 THR 21 -13.435 3.092 -0.458
127 H PHE 22 H PHE 22 -9.058 5.695 0.035
128 HA PHE 22 HA PHE 22 -10.130 7.880 -1.625
129 HB2 PHE 22 1HB PHE 22 -9.352 7.769 1.272
130 HB3 PHE 22 2HB PHE 22 -9.326 9.301 0.405
131 HD1 PHE 22 HD1 PHE 22 -11.460 10.084 -0.707
132 HD2 PHE 22 HD2 PHE 22 -11.345 6.900 2.114
133 HE1 PHE 22 HE1 PHE 22 -13.876 10.347 -0.318
134 HE2 PHE 22 HE2 PHE 22 -13.760 7.156 2.508
135 HZ PHE 22 HZ PHE 22 -15.029 8.881 1.290
136 H LYS 23 H LYS 23 -8.690 9.598 -2.191
137 HA LYS 23 HA LYS 23 -6.204 8.749 -3.152
138 HB2 LYS 23 1HB LYS 23 -7.262 10.596 -4.218
139 HB3 LYS 23 2HB LYS 23 -7.360 11.499 -2.712
140 HG2 LYS 23 1HG LYS 23 -5.108 12.048 -2.743
141 HG3 LYS 23 2HG LYS 23 -4.704 10.740 -3.858
142 HD2 LYS 23 1HD LYS 23 -6.581 12.847 -4.796
143 HD3 LYS 23 2HD LYS 23 -4.871 13.262 -4.658
144 HE2 LYS 23 1HE LYS 23 -4.599 10.954 -5.938
145 HE3 LYS 23 2HE LYS 23 -6.229 11.349 -6.482
146 HZ1 LYS 23 3HZ LYS 23 -5.468 12.953 -7.810
147 HZ2 LYS 23 1HZ LYS 23 -3.946 12.240 -7.619
148 HZ3 LYS 23 2HZ LYS 23 -4.391 13.554 -6.652
149 H SER 24 H SER 24 -6.856 11.049 -0.500
150 HA SER 24 HA SER 24 -4.378 11.569 0.423
151 HB2 SER 24 1HB SER 24 -5.331 11.766 2.688
152 HB3 SER 24 2HB SER 24 -6.410 12.456 1.476
153 HG SER 24 HG SER 24 -6.871 10.455 3.211
154 H GLN 25 H GLN 25 -6.275 8.732 1.460
155 HA GLN 25 HA GLN 25 -4.439 7.516 3.094
156 HB2 GLN 25 1HB GLN 25 -6.275 6.116 1.143
157 HB3 GLN 25 2HB GLN 25 -5.544 5.396 2.572
158 HG2 GLN 25 1HG GLN 25 -6.784 6.985 3.980
159 HG3 GLN 25 2HG GLN 25 -7.553 7.637 2.534
160 HE21 GLN 25 1HE2 GLN 25 -7.494 5.092 4.835
161 HE22 GLN 25 2HE2 GLN 25 -8.870 4.229 4.247
162 H LEU 26 H LEU 26 -4.553 7.510 -0.421
163 HA LEU 26 HA LEU 26 -2.445 5.592 -0.722
164 HB2 LEU 26 1HB LEU 26 -4.060 5.790 -2.470
165 HB3 LEU 26 2HB LEU 26 -3.747 7.516 -2.636
166 HG LEU 26 HG LEU 26 -1.500 7.001 -3.507
167 HD11 LEU 26 1HD1 LEU 26 -1.789 4.582 -2.318
168 HD12 LEU 26 2HD1 LEU 26 -0.603 4.946 -3.571
169 HD13 LEU 26 3HD1 LEU 26 -2.131 4.179 -4.001
170 HD21 LEU 26 3HD2 LEU 26 -3.025 5.362 -5.339
171 HD22 LEU 26 1HD2 LEU 26 -2.369 6.985 -5.554
172 HD23 LEU 26 2HD2 LEU 26 -3.947 6.766 -4.798
173 H ILE 27 H ILE 27 -2.685 9.103 -0.698
174 HA ILE 27 HA ILE 27 -0.119 9.718 -1.629
175 HB ILE 27 HB ILE 27 -1.595 11.311 0.461
176 HG12 ILE 27 1HG1 ILE 27 -3.229 10.897 -1.219
177 HG13 ILE 27 2HG1 ILE 27 -2.594 12.507 -1.542
178 HG21 ILE 27 1HG2 ILE 27 0.368 12.047 -1.704
179 HG22 ILE 27 2HG2 ILE 27 -0.516 13.214 -0.722
180 HG23 ILE 27 3HG2 ILE 27 0.628 12.109 0.039
181 HD11 ILE 27 3HD1 ILE 27 -2.775 11.440 -3.625
182 HD12 ILE 27 1HD1 ILE 27 -1.059 11.417 -3.222
183 HD13 ILE 27 2HD1 ILE 27 -2.031 9.960 -3.020
184 H VAL 28 H VAL 28 -1.288 8.956 1.614
185 HA VAL 28 HA VAL 28 1.117 9.552 2.982
186 HB VAL 28 HB VAL 28 -1.049 7.604 3.784
187 HG11 VAL 28 1HG1 VAL 28 -0.242 7.996 6.064
188 HG12 VAL 28 2HG1 VAL 28 1.015 7.296 5.042
189 HG13 VAL 28 3HG1 VAL 28 1.048 9.016 5.430
190 HG21 VAL 28 3HG2 VAL 28 -0.945 10.525 3.713
191 HG22 VAL 28 1HG2 VAL 28 -2.329 9.440 3.846
192 HG23 VAL 28 2HG2 VAL 28 -1.400 9.865 5.283
193 H HIS 29 H HIS 29 -0.216 6.522 1.697
194 HA HIS 29 HA HIS 29 1.928 4.886 2.563
195 HB2 HIS 29 1HB HIS 29 0.045 3.639 2.078
196 HB3 HIS 29 2HB HIS 29 -0.337 4.580 0.639
197 HD1 HIS 29 HD1 HIS 29 1.697 1.677 1.813
198 HD2 HIS 29 HD2 HIS 29 0.910 3.719 -1.719
199 HE1 HIS 29 HE1 HIS 29 2.611 0.222 -0.023
200 H LYS 30 H LYS 30 1.466 6.958 -0.175
201 HA LYS 30 HA LYS 30 3.534 5.803 -1.790
202 HB2 LYS 30 1HB LYS 30 1.898 8.315 -1.922
203 HB3 LYS 30 2HB LYS 30 3.291 8.113 -2.976
204 HG2 LYS 30 1HG LYS 30 2.205 5.880 -3.638
205 HG3 LYS 30 2HG LYS 30 0.743 6.546 -2.906
206 HD2 LYS 30 1HD LYS 30 0.922 8.503 -4.397
207 HD3 LYS 30 2HD LYS 30 2.340 7.774 -5.155
208 HE2 LYS 30 1HE LYS 30 -0.339 6.408 -5.035
209 HE3 LYS 30 2HE LYS 30 0.134 7.467 -6.362
210 HZ1 LYS 30 3HZ LYS 30 1.410 4.918 -5.548
211 HZ2 LYS 30 1HZ LYS 30 2.109 5.992 -6.653
212 HZ3 LYS 30 2HZ LYS 30 0.627 5.260 -7.008
213 H GLY 31 H GLY 31 3.354 8.262 0.677
214 HA2 GLY 31 1HA GLY 31 5.659 9.723 0.203
215 HA3 GLY 31 2HA GLY 31 5.005 9.395 1.801
216 H VAL 32 H VAL 32 5.345 6.466 1.406
217 HA VAL 32 HA VAL 32 7.879 6.193 2.598
218 HB VAL 32 HB VAL 32 7.511 3.885 2.637
219 HG11 VAL 32 1HG1 VAL 32 4.643 4.583 2.400
220 HG12 VAL 32 2HG1 VAL 32 5.509 3.762 3.701
221 HG13 VAL 32 3HG1 VAL 32 5.605 5.517 3.546
222 HG21 VAL 32 3HG2 VAL 32 6.016 4.348 0.094
223 HG22 VAL 32 1HG2 VAL 32 7.289 3.181 0.455
224 HG23 VAL 32 2HG2 VAL 32 5.655 2.922 1.067
225 H HIS 33 H HIS 33 6.833 6.099 -0.724
226 HA HIS 33 HA HIS 33 9.396 5.061 -1.641
227 HB2 HIS 33 1HB HIS 33 7.152 6.027 -3.402
228 HB3 HIS 33 2HB HIS 33 8.415 4.860 -3.781
229 HD1 HIS 33 HD1 HIS 33 8.222 2.683 -1.911
230 HD2 HIS 33 HD2 HIS 33 4.807 4.755 -3.054
231 HE1 HIS 33 HE1 HIS 33 6.301 1.133 -1.426
232 H THR 34 H THR 34 7.384 7.880 -2.507
233 HA THR 34 HA THR 34 9.462 9.305 -3.751
234 HB THR 34 HB THR 34 7.118 9.843 -4.170
235 HG1 THR 34 HG1 THR 34 8.188 11.629 -4.666
236 HG21 THR 34 3HG2 THR 34 6.610 11.463 -1.839
237 HG22 THR 34 1HG2 THR 34 6.892 9.785 -1.380
238 HG23 THR 34 2HG2 THR 34 5.628 10.179 -2.544
239 H GLY 35 H GLY 35 11.124 10.412 -2.946
240 HA2 GLY 35 1HA GLY 35 12.559 11.346 -1.413
241 HA3 GLY 35 2HA GLY 35 11.118 12.136 -0.790
242 H VAL 36 H VAL 36 13.225 9.348 -0.483
243 HA VAL 36 HA VAL 36 11.863 8.372 1.874
244 HB VAL 36 HB VAL 36 13.668 6.701 1.979
245 HG11 VAL 36 1HG1 VAL 36 11.615 6.762 0.262
246 HG12 VAL 36 2HG1 VAL 36 12.950 6.665 -0.889
247 HG13 VAL 36 3HG1 VAL 36 12.757 5.421 0.348
248 HG21 VAL 36 3HG2 VAL 36 15.006 6.943 -0.427
249 HG22 VAL 36 1HG2 VAL 36 14.961 8.593 0.195
250 HG23 VAL 36 2HG2 VAL 36 15.661 7.302 1.171
251 H LYS 37 H LYS 37 13.256 11.087 1.694
252 HA LYS 37 HA LYS 37 14.492 10.920 4.320
253 HB2 LYS 37 1HB LYS 37 15.956 11.598 1.816
254 HB3 LYS 37 2HB LYS 37 16.333 12.528 3.260
255 HG2 LYS 37 1HG LYS 37 16.727 10.341 4.436
256 HG3 LYS 37 2HG LYS 37 16.602 9.562 2.857
257 HD2 LYS 37 1HD LYS 37 18.474 11.862 3.224
258 HD3 LYS 37 2HD LYS 37 18.938 10.261 3.805
259 HE2 LYS 37 1HE LYS 37 17.953 10.729 1.004
260 HE3 LYS 37 2HE LYS 37 19.652 10.901 1.441
261 HZ1 LYS 37 3HZ LYS 37 18.708 8.638 0.575
262 HZ2 LYS 37 1HZ LYS 37 18.260 8.434 2.194
263 HZ3 LYS 37 2HZ LYS 37 19.885 8.674 1.790
264 HA PRO 38 HA PRO 38 12.328 14.719 4.834
265 HB2 PRO 38 1HB PRO 38 13.680 15.701 6.974
266 HB3 PRO 38 2HB PRO 38 12.536 14.359 7.094
267 HG2 PRO 38 1HG PRO 38 15.525 14.293 6.941
268 HG3 PRO 38 2HG PRO 38 14.437 13.353 7.978
269 HD2 PRO 38 1HD PRO 38 15.542 12.336 5.725
270 HD3 PRO 38 2HD PRO 38 13.936 11.850 6.304
271 H SER 39 H SER 39 15.452 14.494 3.703
272 HA SER 39 HA SER 39 16.209 17.256 3.846
273 HB2 SER 39 1HB SER 39 17.314 15.142 1.988
274 HB3 SER 39 2HB SER 39 18.102 16.634 2.500
275 HG SER 39 HG SER 39 18.080 15.776 4.647
276 H GLY 40 H GLY 40 13.774 17.506 2.938
277 HA2 GLY 40 1HA GLY 40 12.415 18.147 1.185
278 HA3 GLY 40 2HA GLY 40 13.856 19.016 0.678
279 HA PRO 41 HA PRO 41 12.748 16.160 -2.760
280 HB2 PRO 41 1HB PRO 41 13.345 17.941 -4.720
281 HB3 PRO 41 2HB PRO 41 11.772 17.889 -3.915
282 HG2 PRO 41 1HG PRO 41 14.097 19.708 -3.416
283 HG3 PRO 41 2HG PRO 41 12.369 20.098 -3.498
284 HD2 PRO 41 1HD PRO 41 13.687 19.810 -1.151
285 HD3 PRO 41 2HD PRO 41 11.976 19.379 -1.344
286 H SER 42 H SER 42 14.398 14.717 -2.735
287 HA SER 42 HA SER 42 17.061 15.014 -2.519
288 HB2 SER 42 1HB SER 42 17.342 12.952 -3.850
289 HB3 SER 42 2HB SER 42 15.989 12.822 -2.726
290 HG SER 42 HG SER 42 16.007 12.807 -5.474
291 H SER 43 H SER 43 15.356 15.081 -5.648
292 HA SER 43 HA SER 43 17.651 16.563 -6.755
293 HB2 SER 43 1HB SER 43 15.790 14.584 -8.076
294 HB3 SER 43 2HB SER 43 16.854 15.652 -8.990
295 HG SER 43 HG SER 43 18.589 14.716 -7.664
296 H GLY 44 H GLY 44 17.016 17.945 -8.685
297 HA2 GLY 44 1HA GLY 44 14.825 18.959 -9.615
298 HA3 GLY 44 2HA GLY 44 14.599 19.450 -7.942
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -19.045 -20.461 -10.462
2 HA2 GLY 1 1HA GLY 1 -20.871 -20.920 -8.419
3 HA3 GLY 1 2HA GLY 1 -19.304 -21.430 -7.807
4 H SER 2 H SER 2 -19.699 -19.708 -6.222
5 HA SER 2 HA SER 2 -19.986 -17.024 -6.745
6 HB2 SER 2 1HB SER 2 -20.056 -17.758 -4.477
7 HB3 SER 2 2HB SER 2 -18.426 -18.426 -4.571
8 HG SER 2 HG SER 2 -17.583 -16.419 -4.511
9 H SER 3 H SER 3 -18.824 -15.572 -7.809
10 HA SER 3 HA SER 3 -15.934 -15.623 -7.753
11 HB2 SER 3 1HB SER 3 -17.489 -16.137 -10.287
12 HB3 SER 3 2HB SER 3 -15.846 -15.499 -10.308
13 HG SER 3 HG SER 3 -16.772 -18.027 -9.557
14 H GLY 4 H GLY 4 -14.989 -13.654 -8.367
15 HA2 GLY 4 1HA GLY 4 -15.023 -11.438 -9.193
16 HA3 GLY 4 2HA GLY 4 -16.779 -11.499 -9.215
17 H SER 5 H SER 5 -16.428 -9.328 -8.214
18 HA SER 5 HA SER 5 -16.777 -9.552 -5.365
19 HB2 SER 5 1HB SER 5 -14.294 -8.362 -6.545
20 HB3 SER 5 2HB SER 5 -14.968 -7.662 -5.073
21 HG SER 5 HG SER 5 -13.516 -9.253 -4.491
22 H SER 6 H SER 6 -17.221 -7.359 -4.386
23 HA SER 6 HA SER 6 -18.429 -5.554 -6.375
24 HB2 SER 6 1HB SER 6 -20.069 -7.039 -5.071
25 HB3 SER 6 2HB SER 6 -19.647 -6.064 -3.664
26 HG SER 6 HG SER 6 -20.158 -4.274 -5.369
27 H GLY 7 H GLY 7 -16.630 -4.169 -6.248
28 HA2 GLY 7 1HA GLY 7 -16.611 -1.910 -4.957
29 HA3 GLY 7 2HA GLY 7 -16.095 -2.944 -3.633
30 H GLU 8 H GLU 8 -15.011 -0.910 -5.967
31 HA GLU 8 HA GLU 8 -12.355 -2.182 -5.978
32 HB2 GLU 8 1HB GLU 8 -13.750 -0.718 -8.216
33 HB3 GLU 8 2HB GLU 8 -12.020 -1.028 -8.212
34 HG2 GLU 8 1HG GLU 8 -13.886 -3.310 -7.816
35 HG3 GLU 8 2HG GLU 8 -13.684 -2.638 -9.433
36 H LYS 9 H LYS 9 -10.565 -0.812 -5.820
37 HA LYS 9 HA LYS 9 -11.176 1.800 -4.647
38 HB2 LYS 9 1HB LYS 9 -8.874 -0.099 -4.456
39 HB3 LYS 9 2HB LYS 9 -8.599 1.607 -4.130
40 HG2 LYS 9 1HG LYS 9 -9.833 1.586 -2.212
41 HG3 LYS 9 2HG LYS 9 -10.868 0.265 -2.761
42 HD2 LYS 9 1HD LYS 9 -8.874 -1.251 -2.538
43 HD3 LYS 9 2HD LYS 9 -8.033 0.089 -1.755
44 HE2 LYS 9 1HE LYS 9 -10.144 0.139 -0.221
45 HE3 LYS 9 2HE LYS 9 -10.366 -1.514 -0.795
46 HZ1 LYS 9 3HZ LYS 9 -8.068 -0.409 0.713
47 HZ2 LYS 9 1HZ LYS 9 -8.007 -1.907 -0.072
48 HZ3 LYS 9 2HZ LYS 9 -9.117 -1.652 1.178
49 HA PRO 10 HA PRO 10 -9.902 3.588 -8.545
50 HB2 PRO 10 1HB PRO 10 -10.421 6.153 -7.824
51 HB3 PRO 10 2HB PRO 10 -11.685 5.017 -8.309
52 HG2 PRO 10 1HG PRO 10 -10.831 5.840 -5.561
53 HG3 PRO 10 2HG PRO 10 -12.468 5.621 -6.204
54 HD2 PRO 10 1HD PRO 10 -11.242 3.753 -4.675
55 HD3 PRO 10 2HD PRO 10 -12.394 3.330 -5.958
56 H TYR 11 H TYR 11 -8.342 3.511 -5.664
57 HA TYR 11 HA TYR 11 -6.111 5.113 -6.710
58 HB2 TYR 11 1HB TYR 11 -6.997 5.063 -3.818
59 HB3 TYR 11 2HB TYR 11 -5.615 5.940 -4.463
60 HD1 TYR 11 HD2 TYR 11 -9.286 5.815 -4.300
61 HD2 TYR 11 HD1 TYR 11 -5.902 8.020 -5.638
62 HE1 TYR 11 HE2 TYR 11 -10.728 7.763 -4.718
63 HE2 TYR 11 HE1 TYR 11 -7.335 9.974 -6.059
64 HH TYR 11 HH TYR 11 -9.814 10.366 -6.558
65 H SER 12 H SER 12 -4.578 3.677 -7.162
66 HA SER 12 HA SER 12 -3.865 1.710 -5.099
67 HB2 SER 12 1HB SER 12 -3.344 0.102 -7.004
68 HB3 SER 12 2HB SER 12 -5.054 0.389 -6.683
69 HG SER 12 HG SER 12 -3.801 0.696 -8.960
70 H CYS 13 H CYS 13 -1.685 1.228 -4.927
71 HA CYS 13 HA CYS 13 0.098 3.245 -5.956
72 HB2 CYS 13 1HB CYS 13 0.370 2.495 -3.663
73 HB3 CYS 13 2HB CYS 13 0.595 0.833 -4.200
74 H ASN 14 H ASN 14 2.037 2.815 -7.140
75 HA ASN 14 HA ASN 14 1.831 0.430 -8.858
76 HB2 ASN 14 1HB ASN 14 3.101 3.070 -9.602
77 HB3 ASN 14 2HB ASN 14 2.766 1.709 -10.668
78 HD21 ASN 14 1HD2 ASN 14 1.560 4.553 -9.241
79 HD22 ASN 14 2HD2 ASN 14 -0.033 4.491 -9.907
80 H GLU 15 H GLU 15 3.995 2.568 -7.091
81 HA GLU 15 HA GLU 15 6.457 1.541 -7.812
82 HB2 GLU 15 1HB GLU 15 5.904 2.239 -4.950
83 HB3 GLU 15 2HB GLU 15 7.330 2.582 -5.920
84 HG2 GLU 15 1HG GLU 15 5.619 4.047 -7.289
85 HG3 GLU 15 2HG GLU 15 4.749 4.036 -5.756
86 H CYS 16 H CYS 16 4.808 0.658 -4.776
87 HA CYS 16 HA CYS 16 6.183 -1.924 -4.845
88 HB2 CYS 16 1HB CYS 16 5.745 -2.098 -2.520
89 HB3 CYS 16 2HB CYS 16 6.219 -0.425 -2.794
90 H GLY 17 H GLY 17 2.959 -0.513 -4.806
91 HA2 GLY 17 1HA GLY 17 1.197 -1.647 -6.025
92 HA3 GLY 17 2HA GLY 17 1.888 -3.174 -5.496
93 H LYS 18 H LYS 18 -0.594 -1.067 -5.009
94 HA LYS 18 HA LYS 18 -1.626 -2.466 -2.793
95 HB2 LYS 18 1HB LYS 18 0.151 -1.121 -1.642
96 HB3 LYS 18 2HB LYS 18 -0.699 0.336 -2.142
97 HG2 LYS 18 1HG LYS 18 -2.401 0.024 -0.657
98 HG3 LYS 18 2HG LYS 18 -2.221 -1.732 -0.648
99 HD2 LYS 18 1HD LYS 18 -0.073 -1.430 0.590
100 HD3 LYS 18 2HD LYS 18 -0.438 0.293 0.701
101 HE2 LYS 18 1HE LYS 18 -1.103 -0.807 2.744
102 HE3 LYS 18 2HE LYS 18 -2.536 -0.259 1.876
103 HZ1 LYS 18 3HZ LYS 18 -2.106 -2.799 0.961
104 HZ2 LYS 18 1HZ LYS 18 -3.273 -2.328 2.091
105 HZ3 LYS 18 2HZ LYS 18 -1.773 -2.907 2.616
106 H ALA 19 H ALA 19 -3.600 -1.262 -1.863
107 HA ALA 19 HA ALA 19 -4.843 0.387 -3.964
108 HB1 ALA 19 3HB ALA 19 -7.012 -0.833 -3.205
109 HB2 ALA 19 1HB ALA 19 -5.917 -1.620 -4.342
110 HB3 ALA 19 2HB ALA 19 -5.895 -2.074 -2.637
111 H PHE 20 H PHE 20 -6.623 1.729 -3.223
112 HA PHE 20 HA PHE 20 -6.991 2.110 -0.389
113 HB2 PHE 20 1HB PHE 20 -5.639 4.248 -2.048
114 HB3 PHE 20 2HB PHE 20 -6.272 4.492 -0.424
115 HD1 PHE 20 HD2 PHE 20 -5.160 3.534 1.503
116 HD2 PHE 20 HD1 PHE 20 -3.618 2.990 -2.426
117 HE1 PHE 20 HE2 PHE 20 -3.016 2.786 2.452
118 HE2 PHE 20 HE1 PHE 20 -1.472 2.240 -1.485
119 HZ PHE 20 HZ PHE 20 -1.169 2.138 0.957
120 H THR 21 H THR 21 -8.900 3.102 0.079
121 HA THR 21 HA THR 21 -10.776 3.412 -2.062
122 HB THR 21 HB THR 21 -11.175 4.149 0.841
123 HG1 THR 21 HG1 THR 21 -11.137 2.076 1.217
124 HG21 THR 21 3HG2 THR 21 -13.531 3.150 -0.190
125 HG22 THR 21 1HG2 THR 21 -12.880 4.104 -1.522
126 HG23 THR 21 2HG2 THR 21 -13.149 4.855 0.051
127 H PHE 22 H PHE 22 -9.078 5.595 0.133
128 HA PHE 22 HA PHE 22 -10.182 7.877 -1.365
129 HB2 PHE 22 1HB PHE 22 -9.359 7.526 1.483
130 HB3 PHE 22 2HB PHE 22 -9.176 9.116 0.750
131 HD1 PHE 22 HD2 PHE 22 -11.789 6.452 0.616
132 HD2 PHE 22 HD1 PHE 22 -10.859 10.539 1.357
133 HE1 PHE 22 HE2 PHE 22 -14.169 6.913 1.037
134 HE2 PHE 22 HE1 PHE 22 -13.238 11.007 1.779
135 HZ PHE 22 HZ PHE 22 -14.896 9.193 1.619
136 H LYS 23 H LYS 23 -8.780 9.584 -1.969
137 HA LYS 23 HA LYS 23 -6.329 8.788 -3.052
138 HB2 LYS 23 1HB LYS 23 -7.618 10.694 -3.902
139 HB3 LYS 23 2HB LYS 23 -7.298 11.582 -2.417
140 HG2 LYS 23 1HG LYS 23 -5.136 12.033 -2.985
141 HG3 LYS 23 2HG LYS 23 -4.978 10.585 -3.982
142 HD2 LYS 23 1HD LYS 23 -6.155 11.568 -5.773
143 HD3 LYS 23 2HD LYS 23 -6.758 12.882 -4.759
144 HE2 LYS 23 1HE LYS 23 -3.848 12.448 -5.416
145 HE3 LYS 23 2HE LYS 23 -4.912 13.529 -6.315
146 HZ1 LYS 23 3HZ LYS 23 -3.435 14.357 -4.303
147 HZ2 LYS 23 1HZ LYS 23 -4.797 13.879 -3.421
148 HZ3 LYS 23 2HZ LYS 23 -4.946 15.036 -4.645
149 H SER 24 H SER 24 -6.851 11.070 -0.355
150 HA SER 24 HA SER 24 -4.364 11.576 0.494
151 HB2 SER 24 1HB SER 24 -6.407 12.353 1.656
152 HB3 SER 24 2HB SER 24 -6.607 10.745 2.351
153 HG SER 24 HG SER 24 -4.855 11.049 3.602
154 H GLN 25 H GLN 25 -6.153 8.663 1.507
155 HA GLN 25 HA GLN 25 -4.233 7.429 3.023
156 HB2 GLN 25 1HB GLN 25 -6.107 6.068 1.080
157 HB3 GLN 25 2HB GLN 25 -5.299 5.300 2.440
158 HG2 GLN 25 1HG GLN 25 -6.506 6.889 3.945
159 HG3 GLN 25 2HG GLN 25 -7.426 7.421 2.538
160 HE21 GLN 25 1HE2 GLN 25 -7.040 5.026 4.943
161 HE22 GLN 25 2HE2 GLN 25 -8.353 4.009 4.467
162 H LEU 26 H LEU 26 -4.523 7.441 -0.497
163 HA LEU 26 HA LEU 26 -2.351 5.637 -0.926
164 HB2 LEU 26 1HB LEU 26 -4.033 5.819 -2.607
165 HB3 LEU 26 2HB LEU 26 -3.799 7.561 -2.733
166 HG LEU 26 HG LEU 26 -1.570 7.169 -3.707
167 HD11 LEU 26 1HD1 LEU 26 -0.754 5.160 -2.983
168 HD12 LEU 26 2HD1 LEU 26 -1.341 4.699 -4.580
169 HD13 LEU 26 3HD1 LEU 26 -2.307 4.340 -3.149
170 HD21 LEU 26 3HD2 LEU 26 -3.942 7.097 -4.952
171 HD22 LEU 26 1HD2 LEU 26 -3.329 5.506 -5.401
172 HD23 LEU 26 2HD2 LEU 26 -2.402 6.952 -5.800
173 H ILE 27 H ILE 27 -2.668 9.090 -0.566
174 HA ILE 27 HA ILE 27 -0.124 9.787 -1.631
175 HB ILE 27 HB ILE 27 -1.636 11.378 0.431
176 HG12 ILE 27 1HG1 ILE 27 -3.248 10.796 -1.272
177 HG13 ILE 27 2HG1 ILE 27 -2.774 12.475 -1.502
178 HG21 ILE 27 1HG2 ILE 27 0.432 11.979 -1.647
179 HG22 ILE 27 2HG2 ILE 27 -0.652 13.243 -1.067
180 HG23 ILE 27 3HG2 ILE 27 0.411 12.406 0.064
181 HD11 ILE 27 3HD1 ILE 27 -1.519 11.979 -3.403
182 HD12 ILE 27 1HD1 ILE 27 -1.475 10.255 -3.033
183 HD13 ILE 27 2HD1 ILE 27 -2.980 11.004 -3.567
184 H VAL 28 H VAL 28 -1.292 8.917 1.568
185 HA VAL 28 HA VAL 28 1.108 9.613 2.947
186 HB VAL 28 HB VAL 28 -1.062 7.697 3.810
187 HG11 VAL 28 1HG1 VAL 28 1.134 9.104 5.316
188 HG12 VAL 28 2HG1 VAL 28 -0.251 8.341 6.098
189 HG13 VAL 28 3HG1 VAL 28 0.875 7.368 5.152
190 HG21 VAL 28 3HG2 VAL 28 -2.308 9.583 3.672
191 HG22 VAL 28 1HG2 VAL 28 -1.542 9.925 5.223
192 HG23 VAL 28 2HG2 VAL 28 -0.904 10.648 3.746
193 H HIS 29 H HIS 29 -0.197 6.623 1.587
194 HA HIS 29 HA HIS 29 1.914 4.965 2.552
195 HB2 HIS 29 1HB HIS 29 0.044 3.703 2.090
196 HB3 HIS 29 2HB HIS 29 -0.365 4.639 0.655
197 HD1 HIS 29 HD1 HIS 29 1.345 1.582 1.750
198 HD2 HIS 29 HD2 HIS 29 1.194 3.934 -1.671
199 HE1 HIS 29 HE1 HIS 29 2.319 0.164 -0.084
200 H LYS 30 H LYS 30 1.435 6.942 -0.266
201 HA LYS 30 HA LYS 30 3.513 5.757 -1.836
202 HB2 LYS 30 1HB LYS 30 1.803 8.196 -2.041
203 HB3 LYS 30 2HB LYS 30 3.262 8.114 -3.018
204 HG2 LYS 30 1HG LYS 30 2.353 5.800 -3.741
205 HG3 LYS 30 2HG LYS 30 0.812 6.411 -3.135
206 HD2 LYS 30 1HD LYS 30 1.080 8.390 -4.615
207 HD3 LYS 30 2HD LYS 30 2.534 7.646 -5.283
208 HE2 LYS 30 1HE LYS 30 0.906 5.614 -5.674
209 HE3 LYS 30 2HE LYS 30 -0.326 6.873 -5.607
210 HZ1 LYS 30 3HZ LYS 30 0.354 7.771 -7.549
211 HZ2 LYS 30 1HZ LYS 30 0.906 6.198 -7.839
212 HZ3 LYS 30 2HZ LYS 30 1.984 7.388 -7.306
213 H GLY 31 H GLY 31 3.318 8.341 0.516
214 HA2 GLY 31 1HA GLY 31 5.644 9.749 0.008
215 HA3 GLY 31 2HA GLY 31 4.969 9.503 1.612
216 H VAL 32 H VAL 32 5.279 6.579 1.440
217 HA VAL 32 HA VAL 32 7.756 6.307 2.686
218 HB VAL 32 HB VAL 32 7.435 3.961 2.634
219 HG11 VAL 32 1HG1 VAL 32 4.574 4.724 2.515
220 HG12 VAL 32 2HG1 VAL 32 5.460 3.830 3.752
221 HG13 VAL 32 3HG1 VAL 32 5.595 5.587 3.665
222 HG21 VAL 32 3HG2 VAL 32 7.147 3.470 0.351
223 HG22 VAL 32 1HG2 VAL 32 5.640 2.972 1.120
224 HG23 VAL 32 2HG2 VAL 32 5.715 4.491 0.226
225 H HIS 33 H HIS 33 6.861 6.024 -0.694
226 HA HIS 33 HA HIS 33 9.494 5.063 -1.451
227 HB2 HIS 33 1HB HIS 33 7.381 5.960 -3.389
228 HB3 HIS 33 2HB HIS 33 8.626 4.732 -3.601
229 HD1 HIS 33 HD1 HIS 33 8.234 2.585 -1.840
230 HD2 HIS 33 HD2 HIS 33 4.952 4.884 -2.935
231 HE1 HIS 33 HE1 HIS 33 6.222 1.155 -1.360
232 H THR 34 H THR 34 7.479 7.835 -2.452
233 HA THR 34 HA THR 34 9.701 9.261 -3.529
234 HB THR 34 HB THR 34 7.511 9.673 -4.449
235 HG1 THR 34 HG1 THR 34 8.862 11.476 -4.498
236 HG21 THR 34 3HG2 THR 34 6.306 11.235 -2.374
237 HG22 THR 34 1HG2 THR 34 6.682 9.629 -1.752
238 HG23 THR 34 2HG2 THR 34 5.678 9.804 -3.191
239 H GLY 35 H GLY 35 11.276 9.961 -2.218
240 HA2 GLY 35 1HA GLY 35 10.668 10.883 0.471
241 HA3 GLY 35 2HA GLY 35 12.267 10.706 -0.237
242 H VAL 36 H VAL 36 12.688 12.792 0.770
243 HA VAL 36 HA VAL 36 11.360 15.161 0.234
244 HB VAL 36 HB VAL 36 14.335 14.775 0.592
245 HG11 VAL 36 1HG1 VAL 36 14.288 16.937 -0.118
246 HG12 VAL 36 2HG1 VAL 36 12.614 17.183 0.384
247 HG13 VAL 36 3HG1 VAL 36 13.908 17.203 1.583
248 HG21 VAL 36 3HG2 VAL 36 12.133 14.464 2.390
249 HG22 VAL 36 1HG2 VAL 36 13.857 14.254 2.697
250 HG23 VAL 36 2HG2 VAL 36 13.112 15.840 2.898
251 H LYS 37 H LYS 37 11.577 16.781 -1.306
252 HA LYS 37 HA LYS 37 13.218 16.221 -3.663
253 HB2 LYS 37 1HB LYS 37 10.905 15.318 -4.040
254 HB3 LYS 37 2HB LYS 37 10.295 16.959 -3.868
255 HG2 LYS 37 1HG LYS 37 11.779 17.612 -5.777
256 HG3 LYS 37 2HG LYS 37 12.122 15.896 -6.007
257 HD2 LYS 37 1HD LYS 37 9.319 16.986 -5.958
258 HD3 LYS 37 2HD LYS 37 10.275 16.905 -7.440
259 HE2 LYS 37 1HE LYS 37 9.833 14.507 -5.683
260 HE3 LYS 37 2HE LYS 37 8.698 14.959 -6.954
261 HZ1 LYS 37 3HZ LYS 37 10.058 14.195 -8.530
262 HZ2 LYS 37 1HZ LYS 37 10.867 13.382 -7.286
263 HZ3 LYS 37 2HZ LYS 37 11.437 14.879 -7.829
264 HA PRO 38 HA PRO 38 14.089 20.527 -3.293
265 HB2 PRO 38 1HB PRO 38 15.137 20.935 -5.764
266 HB3 PRO 38 2HB PRO 38 16.004 20.082 -4.482
267 HG2 PRO 38 1HG PRO 38 14.466 18.966 -6.795
268 HG3 PRO 38 2HG PRO 38 16.034 18.454 -6.143
269 HD2 PRO 38 1HD PRO 38 13.728 17.149 -5.585
270 HD3 PRO 38 2HD PRO 38 15.070 17.253 -4.428
271 H SER 39 H SER 39 13.543 22.596 -4.258
272 HA SER 39 HA SER 39 10.872 22.568 -5.374
273 HB2 SER 39 1HB SER 39 11.794 24.152 -3.530
274 HB3 SER 39 2HB SER 39 12.480 25.060 -4.878
275 HG SER 39 HG SER 39 9.744 24.340 -4.738
276 H GLY 40 H GLY 40 10.251 23.377 -7.358
277 HA2 GLY 40 1HA GLY 40 12.378 24.248 -9.190
278 HA3 GLY 40 2HA GLY 40 11.357 22.894 -9.652
279 HA PRO 41 HA PRO 41 9.409 26.689 -11.391
280 HB2 PRO 41 1HB PRO 41 8.713 25.518 -13.740
281 HB3 PRO 41 2HB PRO 41 10.304 26.234 -13.458
282 HG2 PRO 41 1HG PRO 41 9.471 23.362 -13.332
283 HG3 PRO 41 2HG PRO 41 10.931 24.073 -14.044
284 HD2 PRO 41 1HD PRO 41 10.927 22.889 -11.609
285 HD3 PRO 41 2HD PRO 41 11.990 24.254 -12.005
286 H SER 42 H SER 42 7.842 26.206 -9.646
287 HA SER 42 HA SER 42 5.825 25.480 -8.819
288 HB2 SER 42 1HB SER 42 3.933 26.044 -10.324
289 HB3 SER 42 2HB SER 42 5.145 27.323 -10.262
290 HG SER 42 HG SER 42 4.266 25.939 -12.384
291 H SER 43 H SER 43 7.393 23.312 -9.671
292 HA SER 43 HA SER 43 5.589 21.533 -11.118
293 HB2 SER 43 1HB SER 43 8.472 21.402 -10.304
294 HB3 SER 43 2HB SER 43 7.611 19.915 -10.700
295 HG SER 43 HG SER 43 8.121 20.446 -12.672
296 H GLY 44 H GLY 44 3.969 21.455 -9.450
297 HA2 GLY 44 1HA GLY 44 4.386 19.250 -7.654
298 HA3 GLY 44 2HA GLY 44 4.231 20.786 -6.816
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -3.960 -21.045 -4.424
2 HA2 GLY 1 1HA GLY 1 -6.367 -19.924 -4.099
3 HA3 GLY 1 2HA GLY 1 -5.806 -20.003 -2.436
4 H SER 2 H SER 2 -6.196 -17.596 -2.825
5 HA SER 2 HA SER 2 -3.639 -16.337 -3.079
6 HB2 SER 2 1HB SER 2 -5.673 -16.052 -5.265
7 HB3 SER 2 2HB SER 2 -4.621 -14.694 -4.869
8 HG SER 2 HG SER 2 -3.791 -16.120 -6.519
9 H SER 3 H SER 3 -3.865 -13.901 -2.815
10 HA SER 3 HA SER 3 -5.183 -13.292 -0.478
11 HB2 SER 3 1HB SER 3 -4.449 -11.392 -2.719
12 HB3 SER 3 2HB SER 3 -4.835 -10.913 -1.067
13 HG SER 3 HG SER 3 -2.520 -11.939 -2.095
14 H GLY 4 H GLY 4 -6.941 -11.666 -0.147
15 HA2 GLY 4 1HA GLY 4 -9.199 -12.359 -1.893
16 HA3 GLY 4 2HA GLY 4 -9.321 -11.753 -0.248
17 H SER 5 H SER 5 -10.954 -10.543 -1.868
18 HA SER 5 HA SER 5 -9.793 -7.887 -2.172
19 HB2 SER 5 1HB SER 5 -11.106 -9.418 -4.419
20 HB3 SER 5 2HB SER 5 -10.937 -7.663 -4.432
21 HG SER 5 HG SER 5 -9.190 -8.600 -5.498
22 H SER 6 H SER 6 -11.061 -6.633 -0.988
23 HA SER 6 HA SER 6 -13.952 -7.189 -0.936
24 HB2 SER 6 1HB SER 6 -12.182 -5.823 1.102
25 HB3 SER 6 2HB SER 6 -13.940 -5.894 1.215
26 HG SER 6 HG SER 6 -12.604 -8.300 0.813
27 H GLY 7 H GLY 7 -14.644 -5.985 -2.666
28 HA2 GLY 7 1HA GLY 7 -15.542 -4.046 -3.561
29 HA3 GLY 7 2HA GLY 7 -14.825 -3.143 -2.235
30 H GLU 8 H GLU 8 -14.841 -2.165 -4.829
31 HA GLU 8 HA GLU 8 -12.127 -2.601 -5.839
32 HB2 GLU 8 1HB GLU 8 -14.414 -1.046 -7.061
33 HB3 GLU 8 2HB GLU 8 -12.866 -1.377 -7.827
34 HG2 GLU 8 1HG GLU 8 -13.487 -3.860 -7.443
35 HG3 GLU 8 2HG GLU 8 -15.126 -3.241 -7.255
36 H LYS 9 H LYS 9 -10.555 -1.114 -5.688
37 HA LYS 9 HA LYS 9 -11.242 1.456 -4.424
38 HB2 LYS 9 1HB LYS 9 -8.906 -0.381 -4.171
39 HB3 LYS 9 2HB LYS 9 -8.624 1.345 -3.985
40 HG2 LYS 9 1HG LYS 9 -9.820 1.476 -2.042
41 HG3 LYS 9 2HG LYS 9 -10.846 0.099 -2.452
42 HD2 LYS 9 1HD LYS 9 -8.785 -1.347 -2.179
43 HD3 LYS 9 2HD LYS 9 -7.996 0.068 -1.478
44 HE2 LYS 9 1HE LYS 9 -8.789 -0.954 0.415
45 HE3 LYS 9 2HE LYS 9 -10.139 0.115 0.038
46 HZ1 LYS 9 3HZ LYS 9 -10.396 -2.498 0.488
47 HZ2 LYS 9 1HZ LYS 9 -10.241 -2.505 -1.197
48 HZ3 LYS 9 2HZ LYS 9 -11.470 -1.604 -0.464
49 HA PRO 10 HA PRO 10 -10.094 3.144 -8.405
50 HB2 PRO 10 1HB PRO 10 -10.686 5.716 -7.765
51 HB3 PRO 10 2HB PRO 10 -11.920 4.522 -8.186
52 HG2 PRO 10 1HG PRO 10 -11.045 5.471 -5.485
53 HG3 PRO 10 2HG PRO 10 -12.686 5.175 -6.089
54 HD2 PRO 10 1HD PRO 10 -11.371 3.404 -4.518
55 HD3 PRO 10 2HD PRO 10 -12.531 2.899 -5.764
56 H TYR 11 H TYR 11 -8.482 3.222 -5.552
57 HA TYR 11 HA TYR 11 -6.329 4.867 -6.693
58 HB2 TYR 11 1HB TYR 11 -7.151 4.864 -3.782
59 HB3 TYR 11 2HB TYR 11 -5.816 5.772 -4.482
60 HD1 TYR 11 HD2 TYR 11 -9.478 5.516 -4.246
61 HD2 TYR 11 HD1 TYR 11 -6.201 7.812 -5.692
62 HE1 TYR 11 HE2 TYR 11 -10.998 7.399 -4.684
63 HE2 TYR 11 HE1 TYR 11 -7.711 9.702 -6.133
64 HH TYR 11 HH TYR 11 -10.813 9.537 -6.467
65 H SER 12 H SER 12 -4.751 3.478 -7.136
66 HA SER 12 HA SER 12 -3.944 1.577 -5.045
67 HB2 SER 12 1HB SER 12 -3.346 -0.010 -6.971
68 HB3 SER 12 2HB SER 12 -5.057 0.162 -6.580
69 HG SER 12 HG SER 12 -5.231 0.620 -8.625
70 H CYS 13 H CYS 13 -1.744 1.179 -4.879
71 HA CYS 13 HA CYS 13 -0.044 3.260 -5.899
72 HB2 CYS 13 1HB CYS 13 0.292 2.471 -3.632
73 HB3 CYS 13 2HB CYS 13 0.553 0.827 -4.205
74 H ASN 14 H ASN 14 1.937 2.892 -7.071
75 HA ASN 14 HA ASN 14 1.789 0.547 -8.850
76 HB2 ASN 14 1HB ASN 14 3.045 3.158 -9.658
77 HB3 ASN 14 2HB ASN 14 2.454 1.854 -10.685
78 HD21 ASN 14 1HD2 ASN 14 1.626 4.662 -8.855
79 HD22 ASN 14 2HD2 ASN 14 -0.007 4.798 -9.404
80 H GLU 15 H GLU 15 3.868 2.748 -7.066
81 HA GLU 15 HA GLU 15 6.370 1.868 -7.849
82 HB2 GLU 15 1HB GLU 15 5.835 2.462 -4.962
83 HB3 GLU 15 2HB GLU 15 7.216 2.914 -5.952
84 HG2 GLU 15 1HG GLU 15 5.385 4.310 -7.242
85 HG3 GLU 15 2HG GLU 15 4.563 4.212 -5.685
86 H CYS 16 H CYS 16 4.782 0.816 -4.833
87 HA CYS 16 HA CYS 16 6.271 -1.705 -5.012
88 HB2 CYS 16 1HB CYS 16 5.968 -1.944 -2.672
89 HB3 CYS 16 2HB CYS 16 6.368 -0.249 -2.929
90 H GLY 17 H GLY 17 3.009 -0.399 -4.726
91 HA2 GLY 17 1HA GLY 17 1.248 -1.593 -5.934
92 HA3 GLY 17 2HA GLY 17 1.981 -3.091 -5.378
93 H LYS 18 H LYS 18 -0.554 -1.069 -4.910
94 HA LYS 18 HA LYS 18 -1.472 -2.400 -2.605
95 HB2 LYS 18 1HB LYS 18 0.282 -0.923 -1.574
96 HB3 LYS 18 2HB LYS 18 -0.660 0.466 -2.101
97 HG2 LYS 18 1HG LYS 18 -2.282 0.138 -0.537
98 HG3 LYS 18 2HG LYS 18 -2.034 -1.609 -0.485
99 HD2 LYS 18 1HD LYS 18 0.192 -1.122 0.623
100 HD3 LYS 18 2HD LYS 18 -0.362 0.545 0.792
101 HE2 LYS 18 1HE LYS 18 -2.032 -1.743 1.771
102 HE3 LYS 18 2HE LYS 18 -0.719 -1.098 2.754
103 HZ1 LYS 18 3HZ LYS 18 -2.677 0.773 1.633
104 HZ2 LYS 18 1HZ LYS 18 -1.798 0.870 3.075
105 HZ3 LYS 18 2HZ LYS 18 -3.133 -0.163 2.965
106 H ALA 19 H ALA 19 -3.460 -1.197 -1.665
107 HA ALA 19 HA ALA 19 -4.829 0.262 -3.827
108 HB1 ALA 19 3HB ALA 19 -5.692 -2.168 -2.351
109 HB2 ALA 19 1HB ALA 19 -6.919 -0.981 -2.795
110 HB3 ALA 19 2HB ALA 19 -5.922 -1.729 -4.044
111 H PHE 20 H PHE 20 -6.660 1.571 -3.102
112 HA PHE 20 HA PHE 20 -6.944 2.154 -0.303
113 HB2 PHE 20 1HB PHE 20 -5.651 4.191 -2.126
114 HB3 PHE 20 2HB PHE 20 -6.276 4.548 -0.520
115 HD1 PHE 20 HD2 PHE 20 -5.199 3.552 1.472
116 HD2 PHE 20 HD1 PHE 20 -3.551 3.140 -2.431
117 HE1 PHE 20 HE2 PHE 20 -3.038 2.909 2.456
118 HE2 PHE 20 HE1 PHE 20 -1.387 2.495 -1.453
119 HZ PHE 20 HZ PHE 20 -1.128 2.380 0.994
120 H THR 21 H THR 21 -8.807 3.293 0.155
121 HA THR 21 HA THR 21 -10.756 3.387 -1.964
122 HB THR 21 HB THR 21 -11.087 4.292 0.901
123 HG1 THR 21 HG1 THR 21 -10.929 2.232 1.339
124 HG21 THR 21 3HG2 THR 21 -13.026 5.029 -0.000
125 HG22 THR 21 1HG2 THR 21 -13.488 3.331 0.110
126 HG23 THR 21 2HG2 THR 21 -12.888 3.985 -1.414
127 H PHE 22 H PHE 22 -8.982 5.710 0.004
128 HA PHE 22 HA PHE 22 -10.083 7.869 -1.672
129 HB2 PHE 22 1HB PHE 22 -9.548 7.719 1.250
130 HB3 PHE 22 2HB PHE 22 -9.222 9.252 0.449
131 HD1 PHE 22 HD1 PHE 22 -11.125 10.228 -0.995
132 HD2 PHE 22 HD2 PHE 22 -11.690 7.216 1.959
133 HE1 PHE 22 HE1 PHE 22 -13.514 10.802 -0.872
134 HE2 PHE 22 HE2 PHE 22 -14.080 7.785 2.087
135 HZ PHE 22 HZ PHE 22 -14.995 9.579 0.670
136 H LYS 23 H LYS 23 -8.651 9.610 -2.203
137 HA LYS 23 HA LYS 23 -6.144 8.805 -3.116
138 HB2 LYS 23 1HB LYS 23 -7.512 10.778 -3.912
139 HB3 LYS 23 2HB LYS 23 -6.931 11.655 -2.502
140 HG2 LYS 23 1HG LYS 23 -5.391 12.353 -4.006
141 HG3 LYS 23 2HG LYS 23 -4.582 10.881 -3.465
142 HD2 LYS 23 1HD LYS 23 -5.527 9.665 -5.368
143 HD3 LYS 23 2HD LYS 23 -6.338 11.138 -5.907
144 HE2 LYS 23 1HE LYS 23 -4.115 12.221 -6.112
145 HE3 LYS 23 2HE LYS 23 -3.364 10.681 -5.700
146 HZ1 LYS 23 3HZ LYS 23 -3.357 10.855 -8.042
147 HZ2 LYS 23 1HZ LYS 23 -4.984 11.314 -8.099
148 HZ3 LYS 23 2HZ LYS 23 -4.566 9.735 -7.662
149 H SER 24 H SER 24 -6.719 11.218 -0.550
150 HA SER 24 HA SER 24 -4.288 11.633 0.455
151 HB2 SER 24 1HB SER 24 -5.345 11.630 2.782
152 HB3 SER 24 2HB SER 24 -6.117 12.654 1.571
153 HG SER 24 HG SER 24 -7.476 10.655 1.219
154 H GLN 25 H GLN 25 -6.203 8.729 1.159
155 HA GLN 25 HA GLN 25 -4.458 7.491 2.933
156 HB2 GLN 25 1HB GLN 25 -6.273 6.209 0.883
157 HB3 GLN 25 2HB GLN 25 -5.534 5.372 2.242
158 HG2 GLN 25 1HG GLN 25 -6.738 6.930 3.766
159 HG3 GLN 25 2HG GLN 25 -7.576 7.577 2.356
160 HE21 GLN 25 1HE2 GLN 25 -8.652 6.218 4.694
161 HE22 GLN 25 2HE2 GLN 25 -9.507 4.840 4.100
162 H LEU 26 H LEU 26 -4.566 7.308 -0.608
163 HA LEU 26 HA LEU 26 -2.380 5.497 -0.823
164 HB2 LEU 26 1HB LEU 26 -3.976 5.625 -2.600
165 HB3 LEU 26 2HB LEU 26 -3.682 7.350 -2.808
166 HG LEU 26 HG LEU 26 -1.430 6.858 -3.646
167 HD11 LEU 26 1HD1 LEU 26 -0.447 4.870 -3.466
168 HD12 LEU 26 2HD1 LEU 26 -1.857 4.028 -4.108
169 HD13 LEU 26 3HD1 LEU 26 -1.770 4.419 -2.391
170 HD21 LEU 26 3HD2 LEU 26 -2.524 6.965 -5.580
171 HD22 LEU 26 1HD2 LEU 26 -3.919 6.114 -4.918
172 HD23 LEU 26 2HD2 LEU 26 -2.557 5.201 -5.566
173 H ILE 27 H ILE 27 -2.678 8.968 -0.659
174 HA ILE 27 HA ILE 27 -0.127 9.654 -1.649
175 HB ILE 27 HB ILE 27 -1.659 11.197 0.440
176 HG12 ILE 27 1HG1 ILE 27 -3.235 10.740 -1.306
177 HG13 ILE 27 2HG1 ILE 27 -2.671 12.391 -1.535
178 HG21 ILE 27 1HG2 ILE 27 0.491 12.119 0.136
179 HG22 ILE 27 2HG2 ILE 27 0.411 11.924 -1.614
180 HG23 ILE 27 3HG2 ILE 27 -0.601 13.127 -0.814
181 HD11 ILE 27 3HD1 ILE 27 -2.249 11.851 -3.637
182 HD12 ILE 27 1HD1 ILE 27 -0.937 10.832 -3.046
183 HD13 ILE 27 2HD1 ILE 27 -2.537 10.141 -3.318
184 H VAL 28 H VAL 28 -1.301 8.996 1.632
185 HA VAL 28 HA VAL 28 1.107 9.576 2.976
186 HB VAL 28 HB VAL 28 -1.037 7.621 3.817
187 HG11 VAL 28 1HG1 VAL 28 1.383 8.691 5.102
188 HG12 VAL 28 2HG1 VAL 28 -0.076 8.712 6.095
189 HG13 VAL 28 3HG1 VAL 28 0.502 7.194 5.405
190 HG21 VAL 28 3HG2 VAL 28 -1.478 9.882 5.256
191 HG22 VAL 28 1HG2 VAL 28 -0.967 10.552 3.707
192 HG23 VAL 28 2HG2 VAL 28 -2.342 9.452 3.780
193 H HIS 29 H HIS 29 -0.189 6.565 1.635
194 HA HIS 29 HA HIS 29 1.964 4.938 2.550
195 HB2 HIS 29 1HB HIS 29 0.064 3.687 2.115
196 HB3 HIS 29 2HB HIS 29 -0.314 4.579 0.644
197 HD1 HIS 29 HD1 HIS 29 1.605 1.660 1.910
198 HD2 HIS 29 HD2 HIS 29 1.055 3.697 -1.669
199 HE1 HIS 29 HE1 HIS 29 2.554 0.159 0.130
200 H LYS 30 H LYS 30 1.400 6.897 -0.270
201 HA LYS 30 HA LYS 30 3.449 5.751 -1.890
202 HB2 LYS 30 1HB LYS 30 1.750 8.202 -2.008
203 HB3 LYS 30 2HB LYS 30 3.191 8.137 -3.015
204 HG2 LYS 30 1HG LYS 30 2.253 5.837 -3.762
205 HG3 LYS 30 2HG LYS 30 0.726 6.456 -3.128
206 HD2 LYS 30 1HD LYS 30 0.883 8.391 -4.599
207 HD3 LYS 30 2HD LYS 30 2.440 7.822 -5.205
208 HE2 LYS 30 1HE LYS 30 1.272 5.740 -5.972
209 HE3 LYS 30 2HE LYS 30 -0.254 6.513 -5.544
210 HZ1 LYS 30 3HZ LYS 30 0.764 6.664 -7.959
211 HZ2 LYS 30 1HZ LYS 30 1.559 7.998 -7.286
212 HZ3 LYS 30 2HZ LYS 30 -0.131 7.933 -7.288
213 H GLY 31 H GLY 31 3.338 8.257 0.542
214 HA2 GLY 31 1HA GLY 31 5.704 9.623 -0.025
215 HA3 GLY 31 2HA GLY 31 5.003 9.448 1.577
216 H VAL 32 H VAL 32 5.229 6.467 1.345
217 HA VAL 32 HA VAL 32 7.688 6.162 2.670
218 HB VAL 32 HB VAL 32 7.277 3.828 2.694
219 HG11 VAL 32 1HG1 VAL 32 4.438 4.577 2.577
220 HG12 VAL 32 2HG1 VAL 32 5.377 3.879 3.898
221 HG13 VAL 32 3HG1 VAL 32 5.444 5.614 3.587
222 HG21 VAL 32 3HG2 VAL 32 6.939 3.161 0.505
223 HG22 VAL 32 1HG2 VAL 32 5.332 2.954 1.202
224 HG23 VAL 32 2HG2 VAL 32 5.691 4.373 0.218
225 H HIS 33 H HIS 33 6.846 6.078 -0.689
226 HA HIS 33 HA HIS 33 9.415 4.896 -1.427
227 HB2 HIS 33 1HB HIS 33 7.296 5.824 -3.353
228 HB3 HIS 33 2HB HIS 33 8.542 4.604 -3.598
229 HD1 HIS 33 HD1 HIS 33 8.193 2.445 -1.837
230 HD2 HIS 33 HD2 HIS 33 4.881 4.727 -2.876
231 HE1 HIS 33 HE1 HIS 33 6.197 1.000 -1.335
232 H THR 34 H THR 34 7.859 7.944 -1.162
233 HA THR 34 HA THR 34 9.725 9.283 -2.948
234 HB THR 34 HB THR 34 8.465 11.270 -2.609
235 HG1 THR 34 HG1 THR 34 7.836 11.577 -0.607
236 HG21 THR 34 3HG2 THR 34 7.392 9.307 -3.881
237 HG22 THR 34 1HG2 THR 34 6.354 10.652 -3.410
238 HG23 THR 34 2HG2 THR 34 6.336 9.156 -2.476
239 H GLY 35 H GLY 35 11.136 8.075 -0.971
240 HA2 GLY 35 1HA GLY 35 12.387 10.342 0.305
241 HA3 GLY 35 2HA GLY 35 11.615 9.237 1.432
242 H VAL 36 H VAL 36 12.232 6.867 1.070
243 HA VAL 36 HA VAL 36 14.996 6.576 0.149
244 HB VAL 36 HB VAL 36 15.340 6.977 2.468
245 HG11 VAL 36 1HG1 VAL 36 12.781 5.717 2.743
246 HG12 VAL 36 2HG1 VAL 36 13.947 4.947 3.821
247 HG13 VAL 36 3HG1 VAL 36 13.677 6.688 3.911
248 HG21 VAL 36 3HG2 VAL 36 15.356 4.004 1.957
249 HG22 VAL 36 1HG2 VAL 36 16.646 5.143 1.570
250 HG23 VAL 36 2HG2 VAL 36 16.231 4.819 3.253
251 H LYS 37 H LYS 37 15.071 4.912 -1.195
252 HA LYS 37 HA LYS 37 14.094 2.338 -0.550
253 HB2 LYS 37 1HB LYS 37 11.940 3.455 -1.115
254 HB3 LYS 37 2HB LYS 37 12.566 3.775 -2.728
255 HG2 LYS 37 1HG LYS 37 12.868 1.277 -2.965
256 HG3 LYS 37 2HG LYS 37 11.922 1.118 -1.483
257 HD2 LYS 37 1HD LYS 37 10.245 0.955 -3.028
258 HD3 LYS 37 2HD LYS 37 10.263 2.705 -2.798
259 HE2 LYS 37 1HE LYS 37 10.202 2.325 -5.138
260 HE3 LYS 37 2HE LYS 37 11.845 2.834 -4.751
261 HZ1 LYS 37 3HZ LYS 37 12.673 0.889 -5.417
262 HZ2 LYS 37 1HZ LYS 37 11.184 0.635 -6.178
263 HZ3 LYS 37 2HZ LYS 37 11.471 -0.014 -4.643
264 HA PRO 38 HA PRO 38 17.234 1.455 -3.517
265 HB2 PRO 38 1HB PRO 38 16.739 -1.193 -3.848
266 HB3 PRO 38 2HB PRO 38 17.510 -0.534 -2.400
267 HG2 PRO 38 1HG PRO 38 14.655 -1.323 -2.832
268 HG3 PRO 38 2HG PRO 38 15.700 -1.628 -1.433
269 HD2 PRO 38 1HD PRO 38 13.857 0.356 -1.471
270 HD3 PRO 38 2HD PRO 38 15.386 0.491 -0.579
271 H SER 39 H SER 39 16.294 2.728 -5.227
272 HA SER 39 HA SER 39 14.689 1.167 -7.141
273 HB2 SER 39 1HB SER 39 13.889 3.463 -6.138
274 HB3 SER 39 2HB SER 39 14.987 4.142 -7.339
275 HG SER 39 HG SER 39 13.713 2.463 -8.729
276 H GLY 40 H GLY 40 16.674 0.139 -7.869
277 HA2 GLY 40 1HA GLY 40 18.369 -0.116 -9.394
278 HA3 GLY 40 2HA GLY 40 17.683 1.272 -10.226
279 HA PRO 41 HA PRO 41 21.768 2.190 -7.829
280 HB2 PRO 41 1HB PRO 41 23.649 1.479 -9.654
281 HB3 PRO 41 2HB PRO 41 23.066 0.381 -8.397
282 HG2 PRO 41 1HG PRO 41 22.274 0.552 -11.279
283 HG3 PRO 41 2HG PRO 41 22.596 -0.885 -10.290
284 HD2 PRO 41 1HD PRO 41 20.087 -0.026 -10.839
285 HD3 PRO 41 2HD PRO 41 20.507 -0.838 -9.317
286 H SER 42 H SER 42 22.004 4.322 -7.995
287 HA SER 42 HA SER 42 22.044 6.434 -8.865
288 HB2 SER 42 1HB SER 42 24.293 5.291 -9.551
289 HB3 SER 42 2HB SER 42 23.616 5.344 -11.179
290 HG SER 42 HG SER 42 23.676 7.504 -11.157
291 H SER 43 H SER 43 19.702 5.180 -9.520
292 HA SER 43 HA SER 43 19.248 5.911 -12.335
293 HB2 SER 43 1HB SER 43 17.609 4.105 -10.541
294 HB3 SER 43 2HB SER 43 17.251 4.471 -12.229
295 HG SER 43 HG SER 43 19.744 3.391 -11.477
296 H GLY 44 H GLY 44 19.412 7.956 -10.457
297 HA2 GLY 44 1HA GLY 44 16.787 8.676 -9.525
298 HA3 GLY 44 2HA GLY 44 18.227 9.683 -9.474
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -8.863 -20.178 2.765
2 HA2 GLY 1 1HA GLY 1 -11.511 -19.084 2.602
3 HA3 GLY 1 2HA GLY 1 -10.359 -17.947 3.285
4 H SER 2 H SER 2 -8.233 -17.846 1.941
5 HA SER 2 HA SER 2 -7.219 -17.193 0.012
6 HB2 SER 2 1HB SER 2 -9.167 -19.216 -1.089
7 HB3 SER 2 2HB SER 2 -8.028 -18.352 -2.122
8 HG SER 2 HG SER 2 -6.336 -19.247 -0.941
9 H SER 3 H SER 3 -9.153 -15.493 1.036
10 HA SER 3 HA SER 3 -10.785 -14.582 -1.195
11 HB2 SER 3 1HB SER 3 -11.881 -13.159 0.351
12 HB3 SER 3 2HB SER 3 -11.578 -14.654 1.237
13 HG SER 3 HG SER 3 -10.381 -13.570 2.570
14 H GLY 4 H GLY 4 -10.685 -12.429 -2.019
15 HA2 GLY 4 1HA GLY 4 -7.950 -11.344 -1.938
16 HA3 GLY 4 2HA GLY 4 -9.105 -11.100 -3.240
17 H SER 5 H SER 5 -9.747 -9.065 -3.354
18 HA SER 5 HA SER 5 -9.843 -7.461 -0.902
19 HB2 SER 5 1HB SER 5 -9.588 -5.543 -2.239
20 HB3 SER 5 2HB SER 5 -8.557 -6.739 -3.024
21 HG SER 5 HG SER 5 -10.027 -6.975 -4.623
22 H SER 6 H SER 6 -11.664 -6.296 -0.302
23 HA SER 6 HA SER 6 -14.174 -7.354 -1.363
24 HB2 SER 6 1HB SER 6 -13.768 -7.423 1.089
25 HB3 SER 6 2HB SER 6 -13.701 -5.661 1.103
26 HG SER 6 HG SER 6 -15.772 -6.098 1.578
27 H GLY 7 H GLY 7 -14.489 -6.193 -3.243
28 HA2 GLY 7 1HA GLY 7 -15.847 -4.363 -4.047
29 HA3 GLY 7 2HA GLY 7 -15.094 -3.337 -2.835
30 H GLU 8 H GLU 8 -14.575 -1.813 -4.466
31 HA GLU 8 HA GLU 8 -12.155 -2.543 -5.954
32 HB2 GLU 8 1HB GLU 8 -14.471 -0.984 -7.114
33 HB3 GLU 8 2HB GLU 8 -12.936 -1.286 -7.916
34 HG2 GLU 8 1HG GLU 8 -13.380 -3.634 -8.023
35 HG3 GLU 8 2HG GLU 8 -14.828 -3.451 -7.035
36 H LYS 9 H LYS 9 -10.560 -1.099 -5.759
37 HA LYS 9 HA LYS 9 -11.203 1.487 -4.509
38 HB2 LYS 9 1HB LYS 9 -8.884 -0.376 -4.286
39 HB3 LYS 9 2HB LYS 9 -8.585 1.346 -4.093
40 HG2 LYS 9 1HG LYS 9 -9.819 1.483 -2.156
41 HG3 LYS 9 2HG LYS 9 -10.779 0.053 -2.542
42 HD2 LYS 9 1HD LYS 9 -8.833 -1.368 -2.142
43 HD3 LYS 9 2HD LYS 9 -7.858 0.058 -1.780
44 HE2 LYS 9 1HE LYS 9 -9.643 0.546 0.016
45 HE3 LYS 9 2HE LYS 9 -10.110 -1.140 -0.204
46 HZ1 LYS 9 3HZ LYS 9 -8.248 -1.879 0.795
47 HZ2 LYS 9 1HZ LYS 9 -8.261 -0.353 1.526
48 HZ3 LYS 9 2HZ LYS 9 -7.273 -0.639 0.183
49 HA PRO 10 HA PRO 10 -10.078 3.171 -8.496
50 HB2 PRO 10 1HB PRO 10 -10.614 5.750 -7.839
51 HB3 PRO 10 2HB PRO 10 -11.875 4.580 -8.246
52 HG2 PRO 10 1HG PRO 10 -10.944 5.504 -5.555
53 HG3 PRO 10 2HG PRO 10 -12.598 5.240 -6.137
54 HD2 PRO 10 1HD PRO 10 -11.293 3.440 -4.591
55 HD3 PRO 10 2HD PRO 10 -12.480 2.960 -5.821
56 H TYR 11 H TYR 11 -8.426 3.216 -5.663
57 HA TYR 11 HA TYR 11 -6.250 4.801 -6.838
58 HB2 TYR 11 1HB TYR 11 -7.051 4.873 -3.922
59 HB3 TYR 11 2HB TYR 11 -5.703 5.739 -4.650
60 HD1 TYR 11 HD2 TYR 11 -9.360 5.580 -4.341
61 HD2 TYR 11 HD1 TYR 11 -6.063 7.747 -5.935
62 HE1 TYR 11 HE2 TYR 11 -10.844 7.485 -4.804
63 HE2 TYR 11 HE1 TYR 11 -7.538 9.659 -6.401
64 HH TYR 11 HH TYR 11 -10.101 10.355 -5.140
65 H SER 12 H SER 12 -4.714 3.361 -7.269
66 HA SER 12 HA SER 12 -3.925 1.493 -5.141
67 HB2 SER 12 1HB SER 12 -3.880 0.691 -8.046
68 HB3 SER 12 2HB SER 12 -3.749 -0.340 -6.621
69 HG SER 12 HG SER 12 -5.832 -0.510 -6.648
70 H CYS 13 H CYS 13 -1.770 1.280 -4.829
71 HA CYS 13 HA CYS 13 -0.030 3.216 -5.948
72 HB2 CYS 13 1HB CYS 13 0.329 2.389 -3.696
73 HB3 CYS 13 2HB CYS 13 0.554 0.750 -4.298
74 H ASN 14 H ASN 14 2.026 2.723 -7.047
75 HA ASN 14 HA ASN 14 1.761 0.445 -8.897
76 HB2 ASN 14 1HB ASN 14 1.413 2.933 -9.742
77 HB3 ASN 14 2HB ASN 14 3.175 2.930 -9.760
78 HD21 ASN 14 1HD2 ASN 14 4.170 1.034 -10.892
79 HD22 ASN 14 2HD2 ASN 14 3.421 0.516 -12.361
80 H GLU 15 H GLU 15 3.927 2.578 -7.126
81 HA GLU 15 HA GLU 15 6.384 1.576 -7.936
82 HB2 GLU 15 1HB GLU 15 5.895 2.314 -5.070
83 HB3 GLU 15 2HB GLU 15 7.308 2.628 -6.068
84 HG2 GLU 15 1HG GLU 15 5.589 4.083 -7.437
85 HG3 GLU 15 2HG GLU 15 4.741 4.105 -5.891
86 H CYS 16 H CYS 16 4.857 0.723 -4.831
87 HA CYS 16 HA CYS 16 6.242 -1.850 -4.915
88 HB2 CYS 16 1HB CYS 16 5.906 -1.992 -2.582
89 HB3 CYS 16 2HB CYS 16 6.297 -0.302 -2.884
90 H GLY 17 H GLY 17 2.993 -0.483 -4.687
91 HA2 GLY 17 1HA GLY 17 1.225 -1.664 -5.901
92 HA3 GLY 17 2HA GLY 17 1.931 -3.165 -5.322
93 H LYS 18 H LYS 18 -0.573 -1.094 -4.894
94 HA LYS 18 HA LYS 18 -1.529 -2.387 -2.581
95 HB2 LYS 18 1HB LYS 18 0.232 -0.928 -1.547
96 HB3 LYS 18 2HB LYS 18 -0.670 0.472 -2.113
97 HG2 LYS 18 1HG LYS 18 -2.321 0.211 -0.568
98 HG3 LYS 18 2HG LYS 18 -2.117 -1.540 -0.481
99 HD2 LYS 18 1HD LYS 18 0.097 -1.097 0.657
100 HD3 LYS 18 2HD LYS 18 -0.402 0.592 0.777
101 HE2 LYS 18 1HE LYS 18 -0.966 -0.444 2.838
102 HE3 LYS 18 2HE LYS 18 -2.473 -0.212 1.952
103 HZ1 LYS 18 3HZ LYS 18 -2.190 -2.433 3.039
104 HZ2 LYS 18 1HZ LYS 18 -0.962 -2.762 1.923
105 HZ3 LYS 18 2HZ LYS 18 -2.542 -2.489 1.386
106 H ALA 19 H ALA 19 -3.535 -1.230 -1.706
107 HA ALA 19 HA ALA 19 -4.859 0.249 -3.884
108 HB1 ALA 19 3HB ALA 19 -6.026 -1.937 -2.169
109 HB2 ALA 19 1HB ALA 19 -6.957 -0.923 -3.271
110 HB3 ALA 19 2HB ALA 19 -5.710 -1.999 -3.902
111 H PHE 20 H PHE 20 -6.674 1.591 -3.198
112 HA PHE 20 HA PHE 20 -6.987 2.205 -0.407
113 HB2 PHE 20 1HB PHE 20 -5.645 4.200 -2.241
114 HB3 PHE 20 2HB PHE 20 -6.300 4.595 -0.655
115 HD1 PHE 20 HD2 PHE 20 -5.206 3.838 1.368
116 HD2 PHE 20 HD1 PHE 20 -3.619 2.914 -2.472
117 HE1 PHE 20 HE2 PHE 20 -3.072 3.193 2.409
118 HE2 PHE 20 HE1 PHE 20 -1.482 2.268 -1.437
119 HZ PHE 20 HZ PHE 20 -1.207 2.408 1.006
120 H THR 21 H THR 21 -8.851 3.347 0.018
121 HA THR 21 HA THR 21 -10.753 3.474 -2.150
122 HB THR 21 HB THR 21 -11.108 4.210 0.762
123 HG1 THR 21 HG1 THR 21 -12.057 2.120 0.884
124 HG21 THR 21 3HG2 THR 21 -13.561 3.602 0.013
125 HG22 THR 21 1HG2 THR 21 -12.958 4.081 -1.574
126 HG23 THR 21 2HG2 THR 21 -12.916 5.225 -0.232
127 H PHE 22 H PHE 22 -8.901 5.710 -0.199
128 HA PHE 22 HA PHE 22 -10.004 7.926 -1.794
129 HB2 PHE 22 1HB PHE 22 -9.414 7.779 1.144
130 HB3 PHE 22 2HB PHE 22 -9.333 9.325 0.306
131 HD1 PHE 22 HD1 PHE 22 -11.408 10.028 -1.039
132 HD2 PHE 22 HD2 PHE 22 -11.439 6.991 1.942
133 HE1 PHE 22 HE1 PHE 22 -13.845 10.283 -0.809
134 HE2 PHE 22 HE2 PHE 22 -13.875 7.240 2.176
135 HZ PHE 22 HZ PHE 22 -15.082 8.887 0.799
136 H LYS 23 H LYS 23 -8.552 9.668 -2.247
137 HA LYS 23 HA LYS 23 -6.013 8.872 -3.086
138 HB2 LYS 23 1HB LYS 23 -7.285 10.825 -3.969
139 HB3 LYS 23 2HB LYS 23 -6.917 11.693 -2.484
140 HG2 LYS 23 1HG LYS 23 -5.249 12.498 -3.785
141 HG3 LYS 23 2HG LYS 23 -4.437 11.056 -3.172
142 HD2 LYS 23 1HD LYS 23 -6.055 10.763 -5.641
143 HD3 LYS 23 2HD LYS 23 -4.535 11.653 -5.769
144 HE2 LYS 23 1HE LYS 23 -3.381 9.728 -4.712
145 HE3 LYS 23 2HE LYS 23 -4.906 8.843 -4.738
146 HZ1 LYS 23 3HZ LYS 23 -3.403 9.837 -7.098
147 HZ2 LYS 23 1HZ LYS 23 -4.923 9.097 -7.169
148 HZ3 LYS 23 2HZ LYS 23 -3.582 8.223 -6.623
149 H SER 24 H SER 24 -6.760 11.145 -0.436
150 HA SER 24 HA SER 24 -4.368 11.622 0.653
151 HB2 SER 24 1HB SER 24 -6.769 10.772 2.290
152 HB3 SER 24 2HB SER 24 -5.415 11.748 2.859
153 HG SER 24 HG SER 24 -7.626 12.508 1.498
154 H GLN 25 H GLN 25 -6.245 8.694 1.436
155 HA GLN 25 HA GLN 25 -4.413 7.452 3.089
156 HB2 GLN 25 1HB GLN 25 -6.171 6.024 1.093
157 HB3 GLN 25 2HB GLN 25 -5.546 5.384 2.607
158 HG2 GLN 25 1HG GLN 25 -6.878 7.122 3.801
159 HG3 GLN 25 2HG GLN 25 -7.605 7.545 2.252
160 HE21 GLN 25 1HE2 GLN 25 -8.531 6.241 4.872
161 HE22 GLN 25 2HE2 GLN 25 -9.446 4.878 4.335
162 H LEU 26 H LEU 26 -4.577 7.457 -0.436
163 HA LEU 26 HA LEU 26 -2.455 5.581 -0.790
164 HB2 LEU 26 1HB LEU 26 -4.066 5.833 -2.532
165 HB3 LEU 26 2HB LEU 26 -3.757 7.565 -2.643
166 HG LEU 26 HG LEU 26 -1.545 7.122 -3.571
167 HD11 LEU 26 1HD1 LEU 26 -0.706 5.157 -2.797
168 HD12 LEU 26 2HD1 LEU 26 -1.328 4.595 -4.348
169 HD13 LEU 26 3HD1 LEU 26 -2.262 4.330 -2.876
170 HD21 LEU 26 3HD2 LEU 26 -3.014 5.394 -5.368
171 HD22 LEU 26 1HD2 LEU 26 -2.433 7.042 -5.609
172 HD23 LEU 26 2HD2 LEU 26 -3.991 6.761 -4.830
173 H ILE 27 H ILE 27 -2.663 9.049 -0.453
174 HA ILE 27 HA ILE 27 -0.099 9.705 -1.437
175 HB ILE 27 HB ILE 27 -1.591 11.210 0.708
176 HG12 ILE 27 1HG1 ILE 27 -3.178 10.879 -1.047
177 HG13 ILE 27 2HG1 ILE 27 -2.548 12.511 -1.237
178 HG21 ILE 27 1HG2 ILE 27 0.381 12.324 0.556
179 HG22 ILE 27 2HG2 ILE 27 0.687 11.783 -1.093
180 HG23 ILE 27 3HG2 ILE 27 -0.454 13.093 -0.793
181 HD11 ILE 27 3HD1 ILE 27 -2.093 10.097 -2.921
182 HD12 ILE 27 1HD1 ILE 27 -2.546 11.734 -3.396
183 HD13 ILE 27 2HD1 ILE 27 -0.892 11.388 -2.891
184 H VAL 28 H VAL 28 -1.282 8.937 1.813
185 HA VAL 28 HA VAL 28 1.128 9.420 3.186
186 HB VAL 28 HB VAL 28 -1.048 7.457 3.920
187 HG11 VAL 28 1HG1 VAL 28 0.414 6.907 5.526
188 HG12 VAL 28 2HG1 VAL 28 1.418 8.327 5.229
189 HG13 VAL 28 3HG1 VAL 28 -0.018 8.458 6.244
190 HG21 VAL 28 3HG2 VAL 28 -2.296 9.336 3.952
191 HG22 VAL 28 1HG2 VAL 28 -1.474 9.611 5.488
192 HG23 VAL 28 2HG2 VAL 28 -0.889 10.397 4.022
193 H HIS 29 H HIS 29 -0.157 6.536 1.606
194 HA HIS 29 HA HIS 29 1.979 4.834 2.470
195 HB2 HIS 29 1HB HIS 29 0.073 3.610 1.993
196 HB3 HIS 29 2HB HIS 29 -0.321 4.577 0.575
197 HD1 HIS 29 HD1 HIS 29 1.614 1.597 1.666
198 HD2 HIS 29 HD2 HIS 29 1.004 3.806 -1.800
199 HE1 HIS 29 HE1 HIS 29 2.533 0.186 -0.201
200 H LYS 30 H LYS 30 1.416 6.951 -0.227
201 HA LYS 30 HA LYS 30 3.473 5.864 -1.899
202 HB2 LYS 30 1HB LYS 30 1.742 8.304 -1.962
203 HB3 LYS 30 2HB LYS 30 3.157 8.233 -3.004
204 HG2 LYS 30 1HG LYS 30 2.183 5.930 -3.718
205 HG3 LYS 30 2HG LYS 30 0.677 6.577 -3.063
206 HD2 LYS 30 1HD LYS 30 0.811 8.482 -4.557
207 HD3 LYS 30 2HD LYS 30 2.375 7.929 -5.161
208 HE2 LYS 30 1HE LYS 30 1.417 6.069 -6.238
209 HE3 LYS 30 2HE LYS 30 -0.097 6.232 -5.350
210 HZ1 LYS 30 3HZ LYS 30 0.622 8.536 -6.938
211 HZ2 LYS 30 1HZ LYS 30 -0.867 7.747 -6.784
212 HZ3 LYS 30 2HZ LYS 30 0.307 7.139 -7.839
213 H GLY 31 H GLY 31 3.298 8.288 0.604
214 HA2 GLY 31 1HA GLY 31 5.573 9.790 0.099
215 HA3 GLY 31 2HA GLY 31 4.948 9.444 1.705
216 H VAL 32 H VAL 32 5.312 6.567 1.467
217 HA VAL 32 HA VAL 32 7.825 6.281 2.599
218 HB VAL 32 HB VAL 32 7.553 3.938 2.448
219 HG11 VAL 32 1HG1 VAL 32 5.568 3.683 3.544
220 HG12 VAL 32 2HG1 VAL 32 5.697 5.443 3.591
221 HG13 VAL 32 3HG1 VAL 32 4.673 4.665 2.383
222 HG21 VAL 32 3HG2 VAL 32 5.888 4.557 0.037
223 HG22 VAL 32 1HG2 VAL 32 7.256 3.454 0.198
224 HG23 VAL 32 2HG2 VAL 32 5.693 3.029 0.895
225 H HIS 33 H HIS 33 6.844 6.007 -0.776
226 HA HIS 33 HA HIS 33 9.493 5.211 -1.627
227 HB2 HIS 33 1HB HIS 33 7.317 6.104 -3.492
228 HB3 HIS 33 2HB HIS 33 8.583 4.909 -3.759
229 HD1 HIS 33 HD1 HIS 33 8.266 2.730 -1.994
230 HD2 HIS 33 HD2 HIS 33 4.922 4.944 -3.079
231 HE1 HIS 33 HE1 HIS 33 6.293 1.240 -1.530
232 H THR 34 H THR 34 7.409 8.066 -1.907
233 HA THR 34 HA THR 34 8.824 9.712 -3.527
234 HB THR 34 HB THR 34 7.985 11.625 -2.272
235 HG1 THR 34 HG1 THR 34 6.935 11.243 -0.248
236 HG21 THR 34 3HG2 THR 34 6.458 9.775 -3.502
237 HG22 THR 34 1HG2 THR 34 5.814 11.263 -2.811
238 HG23 THR 34 2HG2 THR 34 5.728 9.757 -1.897
239 H GLY 35 H GLY 35 10.824 10.500 -3.594
240 HA2 GLY 35 1HA GLY 35 12.618 11.725 -2.542
241 HA3 GLY 35 2HA GLY 35 12.288 10.842 -1.059
242 H VAL 36 H VAL 36 12.856 8.578 -0.974
243 HA VAL 36 HA VAL 36 15.433 8.031 -1.844
244 HB VAL 36 HB VAL 36 13.275 6.045 -1.115
245 HG11 VAL 36 1HG1 VAL 36 15.174 4.549 -0.573
246 HG12 VAL 36 2HG1 VAL 36 15.056 4.927 -2.293
247 HG13 VAL 36 3HG1 VAL 36 16.269 5.728 -1.294
248 HG21 VAL 36 3HG2 VAL 36 15.282 6.430 0.887
249 HG22 VAL 36 1HG2 VAL 36 14.593 7.990 0.439
250 HG23 VAL 36 2HG2 VAL 36 13.541 6.688 0.995
251 H LYS 37 H LYS 37 16.315 7.180 -3.636
252 HA LYS 37 HA LYS 37 14.602 5.873 -5.611
253 HB2 LYS 37 1HB LYS 37 16.213 8.368 -6.068
254 HB3 LYS 37 2HB LYS 37 15.877 7.259 -7.391
255 HG2 LYS 37 1HG LYS 37 13.454 7.515 -6.918
256 HG3 LYS 37 2HG LYS 37 13.863 8.740 -5.715
257 HD2 LYS 37 1HD LYS 37 14.817 10.160 -7.390
258 HD3 LYS 37 2HD LYS 37 14.671 8.898 -8.616
259 HE2 LYS 37 1HE LYS 37 12.259 9.939 -7.172
260 HE3 LYS 37 2HE LYS 37 12.920 10.795 -8.564
261 HZ1 LYS 37 3HZ LYS 37 11.313 9.384 -9.448
262 HZ2 LYS 37 1HZ LYS 37 11.755 8.082 -8.462
263 HZ3 LYS 37 2HZ LYS 37 12.760 8.558 -9.736
264 HA PRO 38 HA PRO 38 18.027 3.145 -6.004
265 HB2 PRO 38 1HB PRO 38 17.590 2.196 -8.509
266 HB3 PRO 38 2HB PRO 38 16.599 1.734 -7.121
267 HG2 PRO 38 1HG PRO 38 16.047 3.766 -9.250
268 HG3 PRO 38 2HG PRO 38 14.952 2.568 -8.535
269 HD2 PRO 38 1HD PRO 38 14.948 5.173 -7.793
270 HD3 PRO 38 2HD PRO 38 14.560 3.858 -6.665
271 H SER 39 H SER 39 19.666 4.802 -5.984
272 HA SER 39 HA SER 39 20.478 6.344 -8.141
273 HB2 SER 39 1HB SER 39 21.301 6.365 -5.689
274 HB3 SER 39 2HB SER 39 22.461 5.147 -6.218
275 HG SER 39 HG SER 39 22.211 7.486 -7.729
276 H GLY 40 H GLY 40 21.823 6.052 -9.871
277 HA2 GLY 40 1HA GLY 40 23.589 3.942 -10.300
278 HA3 GLY 40 2HA GLY 40 22.035 3.443 -10.953
279 HA PRO 41 HA PRO 41 24.524 6.102 -13.993
280 HB2 PRO 41 1HB PRO 41 25.149 4.140 -15.762
281 HB3 PRO 41 2HB PRO 41 26.189 4.571 -14.399
282 HG2 PRO 41 1HG PRO 41 24.235 2.317 -14.652
283 HG3 PRO 41 2HG PRO 41 25.870 2.309 -13.965
284 HD2 PRO 41 1HD PRO 41 23.645 2.418 -12.427
285 HD3 PRO 41 2HD PRO 41 25.168 3.200 -11.959
286 H SER 42 H SER 42 23.658 6.876 -15.895
287 HA SER 42 HA SER 42 21.831 7.444 -17.179
288 HB2 SER 42 1HB SER 42 21.376 5.747 -18.905
289 HB3 SER 42 2HB SER 42 23.107 5.901 -18.602
290 HG SER 42 HG SER 42 21.756 4.016 -17.082
291 H SER 43 H SER 43 20.960 6.891 -14.612
292 HA SER 43 HA SER 43 18.953 4.962 -14.376
293 HB2 SER 43 1HB SER 43 19.529 7.549 -12.975
294 HB3 SER 43 2HB SER 43 18.021 6.698 -12.641
295 HG SER 43 HG SER 43 20.620 5.574 -12.429
296 H GLY 44 H GLY 44 16.849 4.866 -14.952
297 HA2 GLY 44 1HA GLY 44 15.800 7.157 -16.493
298 HA3 GLY 44 2HA GLY 44 15.395 5.478 -16.818
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -4.556 -16.128 6.133
2 HA2 GLY 1 1HA GLY 1 -5.059 -15.263 3.915
3 HA3 GLY 1 2HA GLY 1 -6.155 -16.620 3.701
4 H SER 2 H SER 2 -5.665 -13.573 5.390
5 HA SER 2 HA SER 2 -8.529 -13.513 6.053
6 HB2 SER 2 1HB SER 2 -8.019 -11.906 7.750
7 HB3 SER 2 2HB SER 2 -6.822 -13.193 7.896
8 HG SER 2 HG SER 2 -5.705 -11.572 6.270
9 H SER 3 H SER 3 -6.135 -12.140 4.033
10 HA SER 3 HA SER 3 -7.390 -9.623 3.561
11 HB2 SER 3 1HB SER 3 -4.942 -10.250 3.125
12 HB3 SER 3 2HB SER 3 -5.522 -11.021 1.649
13 HG SER 3 HG SER 3 -6.618 -8.751 1.486
14 H GLY 4 H GLY 4 -8.837 -9.014 2.024
15 HA2 GLY 4 1HA GLY 4 -9.511 -10.090 -0.359
16 HA3 GLY 4 2HA GLY 4 -10.372 -11.123 0.773
17 H SER 5 H SER 5 -10.350 -8.141 -0.884
18 HA SER 5 HA SER 5 -12.599 -7.124 0.706
19 HB2 SER 5 1HB SER 5 -10.646 -5.612 0.261
20 HB3 SER 5 2HB SER 5 -11.044 -5.684 -1.455
21 HG SER 5 HG SER 5 -12.822 -4.804 0.575
22 H SER 6 H SER 6 -14.432 -6.181 -0.462
23 HA SER 6 HA SER 6 -15.127 -7.844 -2.774
24 HB2 SER 6 1HB SER 6 -16.719 -8.024 -0.989
25 HB3 SER 6 2HB SER 6 -16.823 -6.271 -0.827
26 HG SER 6 HG SER 6 -18.508 -6.611 -2.080
27 H GLY 7 H GLY 7 -15.684 -4.488 -1.680
28 HA2 GLY 7 1HA GLY 7 -16.469 -3.460 -4.153
29 HA3 GLY 7 2HA GLY 7 -15.767 -2.515 -2.848
30 H GLU 8 H GLU 8 -14.961 -1.358 -4.855
31 HA GLU 8 HA GLU 8 -12.341 -2.485 -5.580
32 HB2 GLU 8 1HB GLU 8 -14.203 -0.965 -7.415
33 HB3 GLU 8 2HB GLU 8 -12.577 -1.495 -7.823
34 HG2 GLU 8 1HG GLU 8 -13.572 -3.849 -7.133
35 HG3 GLU 8 2HG GLU 8 -15.081 -3.058 -7.583
36 H LYS 9 H LYS 9 -10.663 -1.170 -5.246
37 HA LYS 9 HA LYS 9 -11.206 1.548 -4.324
38 HB2 LYS 9 1HB LYS 9 -8.890 -0.337 -4.071
39 HB3 LYS 9 2HB LYS 9 -8.639 1.388 -3.834
40 HG2 LYS 9 1HG LYS 9 -9.840 1.440 -1.894
41 HG3 LYS 9 2HG LYS 9 -10.858 0.074 -2.357
42 HD2 LYS 9 1HD LYS 9 -8.800 -1.376 -2.113
43 HD3 LYS 9 2HD LYS 9 -8.014 0.017 -1.368
44 HE2 LYS 9 1HE LYS 9 -9.984 0.071 0.238
45 HE3 LYS 9 2HE LYS 9 -10.407 -1.521 -0.391
46 HZ1 LYS 9 3HZ LYS 9 -9.054 -1.608 1.646
47 HZ2 LYS 9 1HZ LYS 9 -7.788 -0.838 0.830
48 HZ3 LYS 9 2HZ LYS 9 -8.303 -2.372 0.338
49 HA PRO 10 HA PRO 10 -10.029 2.951 -8.416
50 HB2 PRO 10 1HB PRO 10 -10.615 5.561 -7.951
51 HB3 PRO 10 2HB PRO 10 -11.850 4.349 -8.313
52 HG2 PRO 10 1HG PRO 10 -11.008 5.464 -5.665
53 HG3 PRO 10 2HG PRO 10 -12.642 5.138 -6.274
54 HD2 PRO 10 1HD PRO 10 -11.360 3.465 -4.574
55 HD3 PRO 10 2HD PRO 10 -12.505 2.886 -5.802
56 H TYR 11 H TYR 11 -8.455 3.199 -5.554
57 HA TYR 11 HA TYR 11 -6.300 4.807 -6.748
58 HB2 TYR 11 1HB TYR 11 -7.123 4.839 -3.837
59 HB3 TYR 11 2HB TYR 11 -5.780 5.734 -4.541
60 HD1 TYR 11 HD2 TYR 11 -9.459 5.461 -4.411
61 HD2 TYR 11 HD1 TYR 11 -6.137 7.794 -5.686
62 HE1 TYR 11 HE2 TYR 11 -10.969 7.345 -4.879
63 HE2 TYR 11 HE1 TYR 11 -7.638 9.685 -6.157
64 HH TYR 11 HH TYR 11 -10.769 9.485 -6.583
65 H SER 12 H SER 12 -4.716 3.423 -7.182
66 HA SER 12 HA SER 12 -3.898 1.542 -5.075
67 HB2 SER 12 1HB SER 12 -3.314 -0.088 -6.914
68 HB3 SER 12 2HB SER 12 -5.042 0.174 -6.678
69 HG SER 12 HG SER 12 -4.460 1.948 -8.406
70 H CYS 13 H CYS 13 -1.681 1.075 -4.975
71 HA CYS 13 HA CYS 13 0.008 3.204 -5.937
72 HB2 CYS 13 1HB CYS 13 0.327 2.353 -3.677
73 HB3 CYS 13 2HB CYS 13 0.641 0.738 -4.304
74 H ASN 14 H ASN 14 1.990 2.862 -7.116
75 HA ASN 14 HA ASN 14 1.830 0.562 -8.952
76 HB2 ASN 14 1HB ASN 14 1.471 3.061 -9.761
77 HB3 ASN 14 2HB ASN 14 3.232 3.076 -9.750
78 HD21 ASN 14 1HD2 ASN 14 3.787 2.988 -11.818
79 HD22 ASN 14 2HD2 ASN 14 3.250 1.799 -12.950
80 H GLU 15 H GLU 15 3.948 2.694 -7.119
81 HA GLU 15 HA GLU 15 6.428 1.734 -7.901
82 HB2 GLU 15 1HB GLU 15 5.875 2.408 -5.030
83 HB3 GLU 15 2HB GLU 15 7.307 2.752 -5.991
84 HG2 GLU 15 1HG GLU 15 5.580 4.211 -7.366
85 HG3 GLU 15 2HG GLU 15 4.737 4.215 -5.818
86 H CYS 16 H CYS 16 4.791 0.773 -4.881
87 HA CYS 16 HA CYS 16 6.205 -1.794 -5.016
88 HB2 CYS 16 1HB CYS 16 5.919 -1.981 -2.680
89 HB3 CYS 16 2HB CYS 16 6.316 -0.287 -2.953
90 H GLY 17 H GLY 17 2.996 -0.373 -4.852
91 HA2 GLY 17 1HA GLY 17 1.185 -1.508 -5.995
92 HA3 GLY 17 2HA GLY 17 1.885 -3.034 -5.476
93 H LYS 18 H LYS 18 -0.630 -1.037 -4.969
94 HA LYS 18 HA LYS 18 -1.516 -2.361 -2.650
95 HB2 LYS 18 1HB LYS 18 0.248 -0.860 -1.652
96 HB3 LYS 18 2HB LYS 18 -0.729 0.513 -2.155
97 HG2 LYS 18 1HG LYS 18 -2.315 0.149 -0.562
98 HG3 LYS 18 2HG LYS 18 -2.034 -1.593 -0.521
99 HD2 LYS 18 1HD LYS 18 0.083 -1.218 0.655
100 HD3 LYS 18 2HD LYS 18 -0.203 0.523 0.614
101 HE2 LYS 18 1HE LYS 18 -2.465 -0.154 1.772
102 HE3 LYS 18 2HE LYS 18 -1.551 -1.593 2.224
103 HZ1 LYS 18 3HZ LYS 18 0.195 0.211 2.939
104 HZ2 LYS 18 1HZ LYS 18 -1.069 -0.241 3.970
105 HZ3 LYS 18 2HZ LYS 18 -1.182 1.185 3.067
106 H ALA 19 H ALA 19 -3.491 -1.139 -1.684
107 HA ALA 19 HA ALA 19 -4.886 0.321 -3.826
108 HB1 ALA 19 3HB ALA 19 -5.997 -1.642 -4.093
109 HB2 ALA 19 1HB ALA 19 -5.694 -2.168 -2.437
110 HB3 ALA 19 2HB ALA 19 -6.955 -0.979 -2.768
111 H PHE 20 H PHE 20 -6.722 1.603 -3.076
112 HA PHE 20 HA PHE 20 -7.037 2.119 -0.272
113 HB2 PHE 20 1HB PHE 20 -5.722 4.219 -2.007
114 HB3 PHE 20 2HB PHE 20 -6.331 4.496 -0.379
115 HD1 PHE 20 HD1 PHE 20 -3.705 2.942 -2.387
116 HD2 PHE 20 HD2 PHE 20 -5.167 3.628 1.551
117 HE1 PHE 20 HE1 PHE 20 -1.537 2.237 -1.463
118 HE2 PHE 20 HE2 PHE 20 -3.001 2.926 2.481
119 HZ PHE 20 HZ PHE 20 -1.182 2.230 0.974
120 H THR 21 H THR 21 -8.927 3.180 0.179
121 HA THR 21 HA THR 21 -10.824 3.380 -1.968
122 HB THR 21 HB THR 21 -11.263 4.261 0.884
123 HG1 THR 21 HG1 THR 21 -11.451 2.206 1.452
124 HG21 THR 21 3HG2 THR 21 -13.337 2.934 -0.771
125 HG22 THR 21 1HG2 THR 21 -12.904 4.589 -1.197
126 HG23 THR 21 2HG2 THR 21 -13.495 4.221 0.424
127 H PHE 22 H PHE 22 -8.946 5.605 -0.028
128 HA PHE 22 HA PHE 22 -10.105 7.840 -1.560
129 HB2 PHE 22 1HB PHE 22 -9.282 7.654 1.318
130 HB3 PHE 22 2HB PHE 22 -9.229 9.207 0.491
131 HD1 PHE 22 HD2 PHE 22 -11.545 6.336 1.038
132 HD2 PHE 22 HD1 PHE 22 -11.097 10.541 0.549
133 HE1 PHE 22 HE2 PHE 22 -13.949 6.639 1.464
134 HE2 PHE 22 HE1 PHE 22 -13.501 10.850 0.975
135 HZ PHE 22 HZ PHE 22 -14.930 8.897 1.433
136 H LYS 23 H LYS 23 -8.681 9.536 -2.171
137 HA LYS 23 HA LYS 23 -6.199 8.687 -3.154
138 HB2 LYS 23 1HB LYS 23 -7.365 10.520 -4.198
139 HB3 LYS 23 2HB LYS 23 -7.301 11.466 -2.717
140 HG2 LYS 23 1HG LYS 23 -5.098 12.018 -2.999
141 HG3 LYS 23 2HG LYS 23 -4.746 10.578 -3.957
142 HD2 LYS 23 1HD LYS 23 -6.650 12.562 -5.083
143 HD3 LYS 23 2HD LYS 23 -4.937 12.990 -5.052
144 HE2 LYS 23 1HE LYS 23 -4.354 11.308 -6.510
145 HE3 LYS 23 2HE LYS 23 -5.743 10.311 -6.083
146 HZ1 LYS 23 3HZ LYS 23 -5.572 11.729 -8.331
147 HZ2 LYS 23 1HZ LYS 23 -6.364 12.849 -7.340
148 HZ3 LYS 23 2HZ LYS 23 -7.040 11.320 -7.595
149 H SER 24 H SER 24 -6.873 10.978 -0.502
150 HA SER 24 HA SER 24 -4.388 11.568 0.377
151 HB2 SER 24 1HB SER 24 -5.352 11.631 2.706
152 HB3 SER 24 2HB SER 24 -6.301 12.495 1.497
153 HG SER 24 HG SER 24 -6.987 10.363 3.028
154 H GLN 25 H GLN 25 -6.217 8.703 1.459
155 HA GLN 25 HA GLN 25 -4.314 7.543 3.071
156 HB2 GLN 25 1HB GLN 25 -6.273 6.167 1.225
157 HB3 GLN 25 2HB GLN 25 -5.395 5.372 2.525
158 HG2 GLN 25 1HG GLN 25 -6.489 7.256 3.986
159 HG3 GLN 25 2HG GLN 25 -7.651 7.302 2.661
160 HE21 GLN 25 1HE2 GLN 25 -8.194 4.903 1.941
161 HE22 GLN 25 2HE2 GLN 25 -8.706 3.890 3.244
162 H LEU 26 H LEU 26 -4.522 7.522 -0.433
163 HA LEU 26 HA LEU 26 -2.428 5.595 -0.787
164 HB2 LEU 26 1HB LEU 26 -4.087 5.791 -2.493
165 HB3 LEU 26 2HB LEU 26 -3.779 7.518 -2.668
166 HG LEU 26 HG LEU 26 -1.564 7.012 -3.606
167 HD11 LEU 26 1HD1 LEU 26 -0.683 5.036 -3.063
168 HD12 LEU 26 2HD1 LEU 26 -1.677 4.376 -4.362
169 HD13 LEU 26 3HD1 LEU 26 -2.259 4.333 -2.698
170 HD21 LEU 26 3HD2 LEU 26 -2.512 6.999 -5.615
171 HD22 LEU 26 1HD2 LEU 26 -4.057 6.703 -4.817
172 HD23 LEU 26 2HD2 LEU 26 -3.090 5.346 -5.396
173 H ILE 27 H ILE 27 -2.659 9.101 -0.726
174 HA ILE 27 HA ILE 27 -0.090 9.683 -1.718
175 HB ILE 27 HB ILE 27 -1.530 11.360 0.325
176 HG12 ILE 27 1HG1 ILE 27 -3.233 10.913 -1.253
177 HG13 ILE 27 2HG1 ILE 27 -2.564 12.468 -1.735
178 HG21 ILE 27 1HG2 ILE 27 -0.497 13.204 -1.006
179 HG22 ILE 27 2HG2 ILE 27 0.662 12.155 -0.191
180 HG23 ILE 27 3HG2 ILE 27 0.378 11.977 -1.922
181 HD11 ILE 27 3HD1 ILE 27 -2.830 11.284 -3.723
182 HD12 ILE 27 1HD1 ILE 27 -1.112 11.143 -3.354
183 HD13 ILE 27 2HD1 ILE 27 -2.198 9.793 -3.026
184 H VAL 28 H VAL 28 -1.277 9.089 1.560
185 HA VAL 28 HA VAL 28 1.137 9.695 2.900
186 HB VAL 28 HB VAL 28 -1.025 7.786 3.801
187 HG11 VAL 28 1HG1 VAL 28 -0.239 8.484 6.070
188 HG12 VAL 28 2HG1 VAL 28 0.935 7.543 5.147
189 HG13 VAL 28 3HG1 VAL 28 1.120 9.292 5.288
190 HG21 VAL 28 3HG2 VAL 28 -1.451 10.126 5.140
191 HG22 VAL 28 1HG2 VAL 28 -0.974 10.702 3.543
192 HG23 VAL 28 2HG2 VAL 28 -2.342 9.601 3.711
193 H HIS 29 H HIS 29 -0.191 6.687 1.598
194 HA HIS 29 HA HIS 29 1.932 5.045 2.575
195 HB2 HIS 29 1HB HIS 29 0.023 3.801 2.181
196 HB3 HIS 29 2HB HIS 29 -0.364 4.669 0.698
197 HD1 HIS 29 HD1 HIS 29 1.543 1.756 1.997
198 HD2 HIS 29 HD2 HIS 29 0.959 3.725 -1.615
199 HE1 HIS 29 HE1 HIS 29 2.451 0.210 0.234
200 H LYS 30 H LYS 30 1.450 7.014 -0.228
201 HA LYS 30 HA LYS 30 3.477 5.766 -1.832
202 HB2 LYS 30 1HB LYS 30 1.811 8.243 -2.050
203 HB3 LYS 30 2HB LYS 30 3.224 8.065 -3.083
204 HG2 LYS 30 1HG LYS 30 2.171 5.740 -3.632
205 HG3 LYS 30 2HG LYS 30 0.687 6.503 -3.054
206 HD2 LYS 30 1HD LYS 30 0.893 8.257 -4.692
207 HD3 LYS 30 2HD LYS 30 2.471 7.650 -5.200
208 HE2 LYS 30 1HE LYS 30 1.125 5.444 -5.649
209 HE3 LYS 30 2HE LYS 30 -0.251 6.543 -5.715
210 HZ1 LYS 30 3HZ LYS 30 1.157 5.979 -7.841
211 HZ2 LYS 30 1HZ LYS 30 2.132 7.236 -7.265
212 HZ3 LYS 30 2HZ LYS 30 0.501 7.521 -7.608
213 H GLY 31 H GLY 31 3.404 8.168 0.646
214 HA2 GLY 31 1HA GLY 31 5.745 9.601 0.003
215 HA3 GLY 31 2HA GLY 31 5.046 9.453 1.608
216 H VAL 32 H VAL 32 5.286 6.458 1.392
217 HA VAL 32 HA VAL 32 7.741 6.182 2.736
218 HB VAL 32 HB VAL 32 7.312 3.882 2.858
219 HG11 VAL 32 1HG1 VAL 32 5.428 5.605 3.619
220 HG12 VAL 32 2HG1 VAL 32 4.481 4.662 2.468
221 HG13 VAL 32 3HG1 VAL 32 5.261 3.863 3.833
222 HG21 VAL 32 3HG2 VAL 32 7.190 3.344 0.522
223 HG22 VAL 32 1HG2 VAL 32 5.742 2.721 1.313
224 HG23 VAL 32 2HG2 VAL 32 5.658 4.201 0.356
225 H HIS 33 H HIS 33 6.913 6.069 -0.624
226 HA HIS 33 HA HIS 33 9.470 4.864 -1.353
227 HB2 HIS 33 1HB HIS 33 7.427 5.861 -3.318
228 HB3 HIS 33 2HB HIS 33 8.602 4.562 -3.507
229 HD1 HIS 33 HD1 HIS 33 8.069 2.498 -1.638
230 HD2 HIS 33 HD2 HIS 33 4.942 4.888 -2.968
231 HE1 HIS 33 HE1 HIS 33 5.975 1.180 -1.186
232 H THR 34 H THR 34 7.691 7.898 -1.720
233 HA THR 34 HA THR 34 9.445 9.277 -3.367
234 HB THR 34 HB THR 34 8.453 11.300 -2.608
235 HG1 THR 34 HG1 THR 34 8.122 9.860 -0.231
236 HG21 THR 34 3HG2 THR 34 6.204 9.417 -2.052
237 HG22 THR 34 1HG2 THR 34 6.967 9.396 -3.641
238 HG23 THR 34 2HG2 THR 34 6.227 10.879 -3.037
239 H GLY 35 H GLY 35 11.534 9.702 -3.125
240 HA2 GLY 35 1HA GLY 35 13.041 11.134 -1.690
241 HA3 GLY 35 2HA GLY 35 12.578 10.053 -0.385
242 H VAL 36 H VAL 36 13.151 7.758 -0.632
243 HA VAL 36 HA VAL 36 15.871 7.511 -1.517
244 HB VAL 36 HB VAL 36 13.992 5.423 -0.404
245 HG11 VAL 36 1HG1 VAL 36 16.994 5.286 -0.592
246 HG12 VAL 36 2HG1 VAL 36 15.876 4.007 -0.114
247 HG13 VAL 36 3HG1 VAL 36 15.915 4.567 -1.786
248 HG21 VAL 36 3HG2 VAL 36 15.646 5.793 1.593
249 HG22 VAL 36 1HG2 VAL 36 15.887 7.366 0.833
250 HG23 VAL 36 2HG2 VAL 36 14.276 6.878 1.356
251 H LYS 37 H LYS 37 16.683 6.315 -3.197
252 HA LYS 37 HA LYS 37 14.727 5.146 -5.063
253 HB2 LYS 37 1HB LYS 37 17.177 6.773 -5.767
254 HB3 LYS 37 2HB LYS 37 16.156 5.936 -6.928
255 HG2 LYS 37 1HG LYS 37 15.330 8.066 -7.062
256 HG3 LYS 37 2HG LYS 37 14.254 7.363 -5.852
257 HD2 LYS 37 1HD LYS 37 14.829 9.343 -4.832
258 HD3 LYS 37 2HD LYS 37 16.057 8.259 -4.173
259 HE2 LYS 37 1HE LYS 37 17.191 10.224 -4.844
260 HE3 LYS 37 2HE LYS 37 17.553 9.003 -6.063
261 HZ1 LYS 37 3HZ LYS 37 16.280 11.518 -6.377
262 HZ2 LYS 37 1HZ LYS 37 15.274 10.278 -6.937
263 HZ3 LYS 37 2HZ LYS 37 16.836 10.447 -7.563
264 HA PRO 38 HA PRO 38 17.708 1.842 -4.001
265 HB2 PRO 38 1HB PRO 38 15.912 -0.166 -4.337
266 HB3 PRO 38 2HB PRO 38 16.047 0.762 -2.838
267 HG2 PRO 38 1HG PRO 38 14.094 1.068 -5.085
268 HG3 PRO 38 2HG PRO 38 13.805 1.121 -3.337
269 HD2 PRO 38 1HD PRO 38 13.996 3.358 -4.851
270 HD3 PRO 38 2HD PRO 38 14.526 3.303 -3.157
271 H SER 39 H SER 39 18.982 0.820 -5.427
272 HA SER 39 HA SER 39 18.455 1.045 -8.229
273 HB2 SER 39 1HB SER 39 20.678 -0.189 -6.613
274 HB3 SER 39 2HB SER 39 20.612 -0.363 -8.367
275 HG SER 39 HG SER 39 21.520 1.523 -8.408
276 H GLY 40 H GLY 40 17.200 -0.273 -9.359
277 HA2 GLY 40 1HA GLY 40 16.883 -3.053 -8.419
278 HA3 GLY 40 2HA GLY 40 15.673 -2.163 -9.332
279 HA PRO 41 HA PRO 41 18.049 -4.903 -12.244
280 HB2 PRO 41 1HB PRO 41 15.850 -5.983 -13.414
281 HB3 PRO 41 2HB PRO 41 16.586 -6.650 -11.952
282 HG2 PRO 41 1HG PRO 41 14.197 -4.867 -12.225
283 HG3 PRO 41 2HG PRO 41 14.421 -6.287 -11.185
284 HD2 PRO 41 1HD PRO 41 14.652 -3.752 -10.260
285 HD3 PRO 41 2HD PRO 41 15.606 -5.099 -9.605
286 H SER 42 H SER 42 14.988 -3.195 -12.908
287 HA SER 42 HA SER 42 15.985 -2.450 -15.551
288 HB2 SER 42 1HB SER 42 13.754 -1.907 -16.121
289 HB3 SER 42 2HB SER 42 13.623 -3.359 -15.128
290 HG SER 42 HG SER 42 13.075 -0.680 -14.417
291 H SER 43 H SER 43 16.507 -0.412 -16.139
292 HA SER 43 HA SER 43 16.654 1.575 -13.997
293 HB2 SER 43 1HB SER 43 17.945 1.592 -16.736
294 HB3 SER 43 2HB SER 43 18.253 2.743 -15.437
295 HG SER 43 HG SER 43 19.733 0.836 -15.739
296 H GLY 44 H GLY 44 15.307 3.248 -13.907
297 HA2 GLY 44 1HA GLY 44 14.042 4.188 -16.391
298 HA3 GLY 44 2HA GLY 44 13.031 3.779 -15.013
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -3.779 -5.041 7.989
2 HA2 GLY 1 1HA GLY 1 -3.270 -4.164 5.894
3 HA3 GLY 1 2HA GLY 1 -3.853 -5.650 5.159
4 H SER 2 H SER 2 -6.134 -5.921 4.861
5 HA SER 2 HA SER 2 -7.665 -3.409 4.962
6 HB2 SER 2 1HB SER 2 -7.523 -5.366 2.657
7 HB3 SER 2 2HB SER 2 -8.686 -4.045 2.769
8 HG SER 2 HG SER 2 -7.185 -2.853 1.933
9 H SER 3 H SER 3 -9.769 -3.574 5.568
10 HA SER 3 HA SER 3 -10.597 -6.101 6.713
11 HB2 SER 3 1HB SER 3 -10.915 -3.919 7.901
12 HB3 SER 3 2HB SER 3 -12.094 -3.471 6.668
13 HG SER 3 HG SER 3 -13.409 -5.131 7.339
14 H GLY 4 H GLY 4 -11.732 -3.870 4.199
15 HA2 GLY 4 1HA GLY 4 -12.528 -5.344 2.212
16 HA3 GLY 4 2HA GLY 4 -13.737 -5.856 3.380
17 H SER 5 H SER 5 -12.976 -3.630 0.982
18 HA SER 5 HA SER 5 -15.081 -1.781 1.886
19 HB2 SER 5 1HB SER 5 -13.003 -0.614 1.558
20 HB3 SER 5 2HB SER 5 -12.772 -1.362 -0.022
21 HG SER 5 HG SER 5 -13.802 0.298 -0.773
22 H SER 6 H SER 6 -16.979 -2.015 0.931
23 HA SER 6 HA SER 6 -17.521 -3.727 -1.192
24 HB2 SER 6 1HB SER 6 -19.013 -1.541 0.177
25 HB3 SER 6 2HB SER 6 -19.640 -2.111 -1.370
26 HG SER 6 HG SER 6 -19.871 -3.248 1.022
27 H GLY 7 H GLY 7 -16.387 -3.485 -3.051
28 HA2 GLY 7 1HA GLY 7 -16.723 -2.471 -5.271
29 HA3 GLY 7 2HA GLY 7 -16.723 -0.910 -4.464
30 H GLU 8 H GLU 8 -15.050 -1.573 -6.634
31 HA GLU 8 HA GLU 8 -12.449 -2.312 -5.742
32 HB2 GLU 8 1HB GLU 8 -13.397 -0.931 -8.255
33 HB3 GLU 8 2HB GLU 8 -11.730 -1.417 -7.980
34 HG2 GLU 8 1HG GLU 8 -12.769 -3.078 -9.323
35 HG3 GLU 8 2HG GLU 8 -12.521 -3.758 -7.715
36 H LYS 9 H LYS 9 -10.555 -0.934 -5.749
37 HA LYS 9 HA LYS 9 -11.160 1.695 -4.612
38 HB2 LYS 9 1HB LYS 9 -8.851 -0.196 -4.419
39 HB3 LYS 9 2HB LYS 9 -8.577 1.515 -4.121
40 HG2 LYS 9 1HG LYS 9 -9.780 1.518 -2.186
41 HG3 LYS 9 2HG LYS 9 -10.832 0.200 -2.708
42 HD2 LYS 9 1HD LYS 9 -8.842 -1.328 -2.494
43 HD3 LYS 9 2HD LYS 9 -7.987 0.014 -1.730
44 HE2 LYS 9 1HE LYS 9 -9.835 0.125 -0.049
45 HE3 LYS 9 2HE LYS 9 -10.496 -1.347 -0.760
46 HZ1 LYS 9 3HZ LYS 9 -9.080 -1.717 1.225
47 HZ2 LYS 9 1HZ LYS 9 -7.752 -1.138 0.350
48 HZ3 LYS 9 2HZ LYS 9 -8.546 -2.544 -0.151
49 HA PRO 10 HA PRO 10 -9.933 3.432 -8.547
50 HB2 PRO 10 1HB PRO 10 -10.447 6.006 -7.855
51 HB3 PRO 10 2HB PRO 10 -11.715 4.862 -8.310
52 HG2 PRO 10 1HG PRO 10 -10.829 5.723 -5.583
53 HG3 PRO 10 2HG PRO 10 -12.474 5.493 -6.204
54 HD2 PRO 10 1HD PRO 10 -11.227 3.647 -4.665
55 HD3 PRO 10 2HD PRO 10 -12.394 3.206 -5.928
56 H TYR 11 H TYR 11 -8.342 3.403 -5.679
57 HA TYR 11 HA TYR 11 -6.121 4.983 -6.777
58 HB2 TYR 11 1HB TYR 11 -6.980 4.995 -3.876
59 HB3 TYR 11 2HB TYR 11 -5.605 5.860 -4.555
60 HD1 TYR 11 HD2 TYR 11 -9.271 5.741 -4.334
61 HD2 TYR 11 HD1 TYR 11 -5.910 7.906 -5.789
62 HE1 TYR 11 HE2 TYR 11 -10.720 7.678 -4.780
63 HE2 TYR 11 HE1 TYR 11 -7.349 9.850 -6.238
64 HH TYR 11 HH TYR 11 -9.822 10.613 -5.084
65 H SER 12 H SER 12 -4.624 3.506 -7.234
66 HA SER 12 HA SER 12 -3.871 1.604 -5.125
67 HB2 SER 12 1HB SER 12 -3.944 0.871 -8.056
68 HB3 SER 12 2HB SER 12 -3.645 -0.200 -6.687
69 HG SER 12 HG SER 12 -5.978 0.477 -7.798
70 H CYS 13 H CYS 13 -1.730 1.416 -4.777
71 HA CYS 13 HA CYS 13 0.043 3.301 -5.923
72 HB2 CYS 13 1HB CYS 13 0.383 2.515 -3.657
73 HB3 CYS 13 2HB CYS 13 0.578 0.859 -4.221
74 H ASN 14 H ASN 14 2.044 2.822 -7.065
75 HA ASN 14 HA ASN 14 1.771 0.504 -8.865
76 HB2 ASN 14 1HB ASN 14 3.150 3.067 -9.639
77 HB3 ASN 14 2HB ASN 14 2.541 1.788 -10.686
78 HD21 ASN 14 1HD2 ASN 14 1.837 4.701 -9.059
79 HD22 ASN 14 2HD2 ASN 14 0.192 4.855 -9.565
80 H GLU 15 H GLU 15 3.969 2.593 -7.083
81 HA GLU 15 HA GLU 15 6.411 1.538 -7.863
82 HB2 GLU 15 1HB GLU 15 5.907 2.281 -5.002
83 HB3 GLU 15 2HB GLU 15 7.336 2.568 -5.984
84 HG2 GLU 15 1HG GLU 15 5.647 4.056 -7.367
85 HG3 GLU 15 2HG GLU 15 4.805 4.103 -5.819
86 H CYS 16 H CYS 16 4.849 0.720 -4.766
87 HA CYS 16 HA CYS 16 6.196 -1.868 -4.814
88 HB2 CYS 16 1HB CYS 16 5.805 -1.997 -2.504
89 HB3 CYS 16 2HB CYS 16 6.126 -0.289 -2.782
90 H GLY 17 H GLY 17 2.943 -0.493 -4.728
91 HA2 GLY 17 1HA GLY 17 1.204 -1.638 -5.991
92 HA3 GLY 17 2HA GLY 17 1.908 -3.159 -5.461
93 H LYS 18 H LYS 18 -0.592 -1.067 -4.978
94 HA LYS 18 HA LYS 18 -1.627 -2.483 -2.774
95 HB2 LYS 18 1HB LYS 18 0.141 -1.131 -1.612
96 HB3 LYS 18 2HB LYS 18 -0.722 0.321 -2.103
97 HG2 LYS 18 1HG LYS 18 -2.413 -0.008 -0.614
98 HG3 LYS 18 2HG LYS 18 -2.239 -1.765 -0.635
99 HD2 LYS 18 1HD LYS 18 -0.074 -1.470 0.597
100 HD3 LYS 18 2HD LYS 18 -0.475 0.241 0.764
101 HE2 LYS 18 1HE LYS 18 -1.205 -0.719 2.766
102 HE3 LYS 18 2HE LYS 18 -2.671 -0.569 1.800
103 HZ1 LYS 18 3HZ LYS 18 -1.061 -3.039 2.160
104 HZ2 LYS 18 1HZ LYS 18 -2.432 -2.906 1.177
105 HZ3 LYS 18 2HZ LYS 18 -2.571 -2.722 2.853
106 H ALA 19 H ALA 19 -3.619 -1.316 -1.858
107 HA ALA 19 HA ALA 19 -4.867 0.314 -3.972
108 HB1 ALA 19 3HB ALA 19 -5.984 -2.050 -2.501
109 HB2 ALA 19 1HB ALA 19 -7.029 -0.856 -3.270
110 HB3 ALA 19 2HB ALA 19 -5.880 -1.778 -4.240
111 H PHE 20 H PHE 20 -6.642 1.677 -3.249
112 HA PHE 20 HA PHE 20 -6.983 2.135 -0.425
113 HB2 PHE 20 1HB PHE 20 -5.650 4.241 -2.139
114 HB3 PHE 20 2HB PHE 20 -6.238 4.496 -0.499
115 HD1 PHE 20 HD2 PHE 20 -5.092 3.499 1.402
116 HD2 PHE 20 HD1 PHE 20 -3.627 3.023 -2.566
117 HE1 PHE 20 HE2 PHE 20 -2.925 2.751 2.295
118 HE2 PHE 20 HE1 PHE 20 -1.458 2.273 -1.679
119 HZ PHE 20 HZ PHE 20 -1.104 2.137 0.754
120 H THR 21 H THR 21 -8.891 3.127 0.026
121 HA THR 21 HA THR 21 -10.767 3.418 -2.121
122 HB THR 21 HB THR 21 -11.169 4.176 0.777
123 HG1 THR 21 HG1 THR 21 -11.449 2.102 1.199
124 HG21 THR 21 3HG2 THR 21 -13.553 3.558 0.186
125 HG22 THR 21 1HG2 THR 21 -13.043 3.561 -1.502
126 HG23 THR 21 2HG2 THR 21 -12.940 5.041 -0.546
127 H PHE 22 H PHE 22 -9.064 5.614 0.057
128 HA PHE 22 HA PHE 22 -10.118 7.879 -1.506
129 HB2 PHE 22 1HB PHE 22 -9.496 7.564 1.396
130 HB3 PHE 22 2HB PHE 22 -9.256 9.145 0.660
131 HD1 PHE 22 HD2 PHE 22 -11.867 6.500 0.313
132 HD2 PHE 22 HD1 PHE 22 -10.970 10.568 1.186
133 HE1 PHE 22 HE2 PHE 22 -14.269 6.973 0.557
134 HE2 PHE 22 HE1 PHE 22 -13.370 11.048 1.433
135 HZ PHE 22 HZ PHE 22 -15.023 9.250 1.117
136 H LYS 23 H LYS 23 -8.702 9.486 -2.187
137 HA LYS 23 HA LYS 23 -6.187 8.719 -3.048
138 HB2 LYS 23 1HB LYS 23 -7.427 10.627 -3.977
139 HB3 LYS 23 2HB LYS 23 -7.167 11.525 -2.488
140 HG2 LYS 23 1HG LYS 23 -5.503 12.397 -3.769
141 HG3 LYS 23 2HG LYS 23 -4.637 11.045 -3.036
142 HD2 LYS 23 1HD LYS 23 -4.077 10.686 -5.215
143 HD3 LYS 23 2HD LYS 23 -5.592 9.780 -5.170
144 HE2 LYS 23 1HE LYS 23 -5.959 11.044 -7.034
145 HE3 LYS 23 2HE LYS 23 -6.604 12.136 -5.810
146 HZ1 LYS 23 3HZ LYS 23 -4.804 13.526 -5.971
147 HZ2 LYS 23 1HZ LYS 23 -4.936 13.003 -7.575
148 HZ3 LYS 23 2HZ LYS 23 -3.768 12.324 -6.558
149 H SER 24 H SER 24 -6.814 11.082 -0.446
150 HA SER 24 HA SER 24 -4.401 11.576 0.554
151 HB2 SER 24 1HB SER 24 -6.771 12.084 1.543
152 HB3 SER 24 2HB SER 24 -6.458 10.663 2.539
153 HG SER 24 HG SER 24 -4.452 12.593 2.365
154 H GLN 25 H GLN 25 -6.219 8.652 1.483
155 HA GLN 25 HA GLN 25 -4.363 7.440 3.096
156 HB2 GLN 25 1HB GLN 25 -6.271 6.187 1.120
157 HB3 GLN 25 2HB GLN 25 -5.357 5.263 2.305
158 HG2 GLN 25 1HG GLN 25 -6.437 6.844 4.033
159 HG3 GLN 25 2HG GLN 25 -7.580 7.210 2.742
160 HE21 GLN 25 1HE2 GLN 25 -8.180 4.984 1.559
161 HE22 GLN 25 2HE2 GLN 25 -8.788 3.788 2.646
162 H LEU 26 H LEU 26 -4.542 7.331 -0.440
163 HA LEU 26 HA LEU 26 -2.302 5.586 -0.729
164 HB2 LEU 26 1HB LEU 26 -3.935 5.641 -2.464
165 HB3 LEU 26 2HB LEU 26 -3.755 7.384 -2.655
166 HG LEU 26 HG LEU 26 -1.473 7.017 -3.534
167 HD11 LEU 26 1HD1 LEU 26 -0.449 5.078 -3.225
168 HD12 LEU 26 2HD1 LEU 26 -1.645 4.289 -4.252
169 HD13 LEU 26 3HD1 LEU 26 -1.911 4.396 -2.512
170 HD21 LEU 26 3HD2 LEU 26 -3.722 6.981 -4.888
171 HD22 LEU 26 1HD2 LEU 26 -3.270 5.301 -5.177
172 HD23 LEU 26 2HD2 LEU 26 -2.188 6.602 -5.672
173 H ILE 27 H ILE 27 -2.756 9.068 -0.704
174 HA ILE 27 HA ILE 27 -0.255 9.841 -1.704
175 HB ILE 27 HB ILE 27 -1.792 11.341 0.412
176 HG12 ILE 27 1HG1 ILE 27 -3.410 10.813 -1.263
177 HG13 ILE 27 2HG1 ILE 27 -2.901 12.472 -1.561
178 HG21 ILE 27 1HG2 ILE 27 -0.827 13.310 -0.681
179 HG22 ILE 27 2HG2 ILE 27 0.422 12.213 -0.092
180 HG23 ILE 27 3HG2 ILE 27 0.028 12.259 -1.810
181 HD11 ILE 27 3HD1 ILE 27 -1.197 11.281 -3.183
182 HD12 ILE 27 1HD1 ILE 27 -2.432 10.023 -3.161
183 HD13 ILE 27 2HD1 ILE 27 -2.847 11.658 -3.678
184 H VAL 28 H VAL 28 -1.296 8.978 1.553
185 HA VAL 28 HA VAL 28 1.139 9.718 2.834
186 HB VAL 28 HB VAL 28 -0.951 7.755 3.786
187 HG11 VAL 28 1HG1 VAL 28 1.470 8.948 4.999
188 HG12 VAL 28 2HG1 VAL 28 0.037 8.830 6.023
189 HG13 VAL 28 3HG1 VAL 28 0.713 7.380 5.280
190 HG21 VAL 28 3HG2 VAL 28 -0.909 10.692 3.638
191 HG22 VAL 28 1HG2 VAL 28 -2.272 9.577 3.739
192 HG23 VAL 28 2HG2 VAL 28 -1.388 10.024 5.198
193 H HIS 29 H HIS 29 -0.198 6.620 1.722
194 HA HIS 29 HA HIS 29 1.965 5.024 2.570
195 HB2 HIS 29 1HB HIS 29 0.087 3.764 2.100
196 HB3 HIS 29 2HB HIS 29 -0.293 4.678 0.644
197 HD1 HIS 29 HD1 HIS 29 1.467 1.670 1.835
198 HD2 HIS 29 HD2 HIS 29 1.254 3.919 -1.652
199 HE1 HIS 29 HE1 HIS 29 2.468 0.222 0.039
200 H LYS 30 H LYS 30 1.490 7.049 -0.203
201 HA LYS 30 HA LYS 30 3.547 5.889 -1.815
202 HB2 LYS 30 1HB LYS 30 1.915 8.397 -1.933
203 HB3 LYS 30 2HB LYS 30 3.328 8.235 -2.967
204 HG2 LYS 30 1HG LYS 30 2.298 6.017 -3.716
205 HG3 LYS 30 2HG LYS 30 0.814 6.606 -2.963
206 HD2 LYS 30 1HD LYS 30 0.984 8.650 -4.375
207 HD3 LYS 30 2HD LYS 30 2.365 7.917 -5.194
208 HE2 LYS 30 1HE LYS 30 -0.246 6.464 -5.012
209 HE3 LYS 30 2HE LYS 30 0.003 7.702 -6.241
210 HZ1 LYS 30 3HZ LYS 30 1.421 6.405 -7.385
211 HZ2 LYS 30 1HZ LYS 30 0.622 5.143 -6.590
212 HZ3 LYS 30 2HZ LYS 30 2.103 5.710 -6.002
213 H GLY 31 H GLY 31 3.417 8.324 0.674
214 HA2 GLY 31 1HA GLY 31 5.747 9.752 0.184
215 HA3 GLY 31 2HA GLY 31 5.083 9.448 1.782
216 H VAL 32 H VAL 32 5.361 6.524 1.463
217 HA VAL 32 HA VAL 32 7.882 6.204 2.649
218 HB VAL 32 HB VAL 32 7.490 3.883 2.648
219 HG11 VAL 32 1HG1 VAL 32 4.644 4.734 2.531
220 HG12 VAL 32 2HG1 VAL 32 5.489 3.772 3.745
221 HG13 VAL 32 3HG1 VAL 32 5.703 5.523 3.700
222 HG21 VAL 32 3HG2 VAL 32 5.875 4.427 0.189
223 HG22 VAL 32 1HG2 VAL 32 7.170 3.257 0.442
224 HG23 VAL 32 2HG2 VAL 32 5.577 2.974 1.144
225 H HIS 33 H HIS 33 6.841 6.021 -0.686
226 HA HIS 33 HA HIS 33 9.415 4.986 -1.563
227 HB2 HIS 33 1HB HIS 33 7.179 5.899 -3.361
228 HB3 HIS 33 2HB HIS 33 8.447 4.724 -3.701
229 HD1 HIS 33 HD1 HIS 33 8.249 2.573 -1.831
230 HD2 HIS 33 HD2 HIS 33 4.830 4.658 -2.936
231 HE1 HIS 33 HE1 HIS 33 6.326 1.041 -1.301
232 H THR 34 H THR 34 7.395 7.817 -2.366
233 HA THR 34 HA THR 34 9.629 9.206 -3.530
234 HB THR 34 HB THR 34 7.376 9.537 -4.432
235 HG1 THR 34 HG1 THR 34 8.149 11.991 -3.246
236 HG21 THR 34 3HG2 THR 34 6.288 11.340 -2.522
237 HG22 THR 34 1HG2 THR 34 6.685 9.837 -1.691
238 HG23 THR 34 2HG2 THR 34 5.618 9.813 -3.095
239 H GLY 35 H GLY 35 10.456 8.625 -1.051
240 HA2 GLY 35 1HA GLY 35 10.713 11.271 0.135
241 HA3 GLY 35 2HA GLY 35 9.986 10.042 1.160
242 H VAL 36 H VAL 36 11.262 8.096 1.591
243 HA VAL 36 HA VAL 36 14.161 8.586 1.404
244 HB VAL 36 HB VAL 36 12.701 7.441 3.789
245 HG11 VAL 36 1HG1 VAL 36 15.009 7.675 4.833
246 HG12 VAL 36 2HG1 VAL 36 14.786 6.355 3.683
247 HG13 VAL 36 3HG1 VAL 36 15.619 7.828 3.185
248 HG21 VAL 36 3HG2 VAL 36 13.027 10.099 3.071
249 HG22 VAL 36 1HG2 VAL 36 12.636 9.483 4.677
250 HG23 VAL 36 2HG2 VAL 36 14.314 9.805 4.240
251 H LYS 37 H LYS 37 15.461 6.821 1.040
252 HA LYS 37 HA LYS 37 14.117 4.225 0.695
253 HB2 LYS 37 1HB LYS 37 16.017 5.611 -1.192
254 HB3 LYS 37 2HB LYS 37 15.713 3.880 -1.266
255 HG2 LYS 37 1HG LYS 37 13.225 4.563 -1.420
256 HG3 LYS 37 2HG LYS 37 13.861 6.149 -1.860
257 HD2 LYS 37 1HD LYS 37 15.324 4.689 -3.520
258 HD3 LYS 37 2HD LYS 37 13.967 3.574 -3.342
259 HE2 LYS 37 1HE LYS 37 13.721 6.475 -4.130
260 HE3 LYS 37 2HE LYS 37 13.733 5.125 -5.264
261 HZ1 LYS 37 3HZ LYS 37 11.816 4.379 -3.546
262 HZ2 LYS 37 1HZ LYS 37 11.527 5.209 -4.992
263 HZ3 LYS 37 2HZ LYS 37 11.617 6.059 -3.533
264 HA PRO 38 HA PRO 38 17.373 2.630 3.192
265 HB2 PRO 38 1HB PRO 38 17.253 0.024 2.441
266 HB3 PRO 38 2HB PRO 38 16.042 0.780 3.482
267 HG2 PRO 38 1HG PRO 38 15.936 0.232 0.541
268 HG3 PRO 38 2HG PRO 38 14.676 0.004 1.768
269 HD2 PRO 38 1HD PRO 38 14.721 2.141 0.105
270 HD3 PRO 38 2HD PRO 38 14.091 2.234 1.763
271 H SER 39 H SER 39 19.231 0.871 2.839
272 HA SER 39 HA SER 39 20.550 1.468 0.273
273 HB2 SER 39 1HB SER 39 22.692 1.650 1.450
274 HB3 SER 39 2HB SER 39 21.539 2.825 2.083
275 HG SER 39 HG SER 39 21.117 0.890 3.624
276 H GLY 40 H GLY 40 20.261 -0.471 -0.720
277 HA2 GLY 40 1HA GLY 40 21.969 -2.601 -0.147
278 HA3 GLY 40 2HA GLY 40 20.408 -2.986 0.561
279 HA PRO 41 HA PRO 41 20.335 -4.575 -3.761
280 HB2 PRO 41 1HB PRO 41 19.009 -6.858 -3.129
281 HB3 PRO 41 2HB PRO 41 20.766 -6.704 -3.012
282 HG2 PRO 41 1HG PRO 41 18.699 -6.504 -0.855
283 HG3 PRO 41 2HG PRO 41 20.267 -7.331 -0.829
284 HD2 PRO 41 1HD PRO 41 19.883 -4.900 0.300
285 HD3 PRO 41 2HD PRO 41 21.430 -5.382 -0.426
286 H SER 42 H SER 42 18.186 -3.283 -1.621
287 HA SER 42 HA SER 42 15.654 -3.929 -2.135
288 HB2 SER 42 1HB SER 42 16.445 -1.901 -0.861
289 HB3 SER 42 2HB SER 42 16.581 -1.063 -2.406
290 HG SER 42 HG SER 42 14.574 -0.576 -1.777
291 H SER 43 H SER 43 14.243 -4.034 -3.781
292 HA SER 43 HA SER 43 13.517 -4.188 -5.938
293 HB2 SER 43 1HB SER 43 13.507 -2.121 -7.189
294 HB3 SER 43 2HB SER 43 13.271 -1.736 -5.484
295 HG SER 43 HG SER 43 15.449 -1.148 -5.366
296 H GLY 44 H GLY 44 15.908 -5.536 -5.518
297 HA2 GLY 44 1HA GLY 44 17.453 -4.968 -7.967
298 HA3 GLY 44 2HA GLY 44 18.084 -5.809 -6.558
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -0.993 -18.881 -3.957
2 HA2 GLY 1 1HA GLY 1 -0.636 -17.938 -1.363
3 HA3 GLY 1 2HA GLY 1 0.126 -16.770 -2.433
4 H SER 2 H SER 2 -2.293 -16.626 -0.679
5 HA SER 2 HA SER 2 -4.107 -15.561 -2.726
6 HB2 SER 2 1HB SER 2 -4.757 -17.526 -0.559
7 HB3 SER 2 2HB SER 2 -5.982 -16.363 -1.068
8 HG SER 2 HG SER 2 -5.151 -18.613 -2.301
9 H SER 3 H SER 3 -5.199 -13.705 -2.165
10 HA SER 3 HA SER 3 -4.535 -12.557 0.468
11 HB2 SER 3 1HB SER 3 -3.310 -11.525 -1.495
12 HB3 SER 3 2HB SER 3 -4.877 -10.965 -2.079
13 HG SER 3 HG SER 3 -3.306 -9.945 -0.121
14 H GLY 4 H GLY 4 -6.057 -10.877 1.212
15 HA2 GLY 4 1HA GLY 4 -8.801 -11.493 0.303
16 HA3 GLY 4 2HA GLY 4 -8.381 -11.144 1.973
17 H SER 5 H SER 5 -9.858 -9.884 -0.626
18 HA SER 5 HA SER 5 -9.827 -7.229 0.432
19 HB2 SER 5 1HB SER 5 -7.709 -7.178 -0.832
20 HB3 SER 5 2HB SER 5 -8.573 -7.662 -2.291
21 HG SER 5 HG SER 5 -8.634 -5.222 -0.906
22 H SER 6 H SER 6 -11.861 -6.600 0.240
23 HA SER 6 HA SER 6 -13.321 -7.252 -2.230
24 HB2 SER 6 1HB SER 6 -14.262 -7.572 0.620
25 HB3 SER 6 2HB SER 6 -15.385 -7.469 -0.736
26 HG SER 6 HG SER 6 -13.999 -9.583 0.122
27 H GLY 7 H GLY 7 -13.313 -5.263 -3.151
28 HA2 GLY 7 1HA GLY 7 -15.110 -3.356 -2.819
29 HA3 GLY 7 2HA GLY 7 -13.993 -2.927 -1.532
30 H GLU 8 H GLU 8 -14.673 -2.736 -4.869
31 HA GLU 8 HA GLU 8 -12.238 -2.328 -6.071
32 HB2 GLU 8 1HB GLU 8 -14.880 -0.948 -6.529
33 HB3 GLU 8 2HB GLU 8 -13.481 -0.682 -7.560
34 HG2 GLU 8 1HG GLU 8 -14.874 -3.308 -7.091
35 HG3 GLU 8 2HG GLU 8 -14.976 -2.311 -8.541
36 H LYS 9 H LYS 9 -10.701 -0.794 -6.069
37 HA LYS 9 HA LYS 9 -11.225 1.682 -4.561
38 HB2 LYS 9 1HB LYS 9 -8.961 -0.254 -4.352
39 HB3 LYS 9 2HB LYS 9 -8.629 1.455 -4.102
40 HG2 LYS 9 1HG LYS 9 -9.851 1.553 -2.168
41 HG3 LYS 9 2HG LYS 9 -10.894 0.206 -2.629
42 HD2 LYS 9 1HD LYS 9 -8.867 -1.283 -2.381
43 HD3 LYS 9 2HD LYS 9 -8.050 0.097 -1.642
44 HE2 LYS 9 1HE LYS 9 -10.226 0.135 -0.149
45 HE3 LYS 9 2HE LYS 9 -10.300 -1.563 -0.617
46 HZ1 LYS 9 3HZ LYS 9 -7.787 -1.458 0.104
47 HZ2 LYS 9 1HZ LYS 9 -9.019 -1.723 1.233
48 HZ3 LYS 9 2HZ LYS 9 -8.346 -0.181 1.062
49 HA PRO 10 HA PRO 10 -9.992 3.370 -8.519
50 HB2 PRO 10 1HB PRO 10 -10.503 5.953 -7.855
51 HB3 PRO 10 2HB PRO 10 -11.772 4.807 -8.302
52 HG2 PRO 10 1HG PRO 10 -10.893 5.694 -5.581
53 HG3 PRO 10 2HG PRO 10 -12.536 5.462 -6.205
54 HD2 PRO 10 1HD PRO 10 -11.299 3.629 -4.643
55 HD3 PRO 10 2HD PRO 10 -12.463 3.177 -5.905
56 H TYR 11 H TYR 11 -8.408 3.362 -5.649
57 HA TYR 11 HA TYR 11 -6.185 4.936 -6.753
58 HB2 TYR 11 1HB TYR 11 -7.045 4.952 -3.852
59 HB3 TYR 11 2HB TYR 11 -5.668 5.814 -4.531
60 HD1 TYR 11 HD2 TYR 11 -9.338 5.695 -4.329
61 HD2 TYR 11 HD1 TYR 11 -5.966 7.866 -5.752
62 HE1 TYR 11 HE2 TYR 11 -10.783 7.633 -4.779
63 HE2 TYR 11 HE1 TYR 11 -7.402 9.810 -6.205
64 HH TYR 11 HH TYR 11 -10.080 10.447 -4.971
65 H SER 12 H SER 12 -4.663 3.483 -7.189
66 HA SER 12 HA SER 12 -3.923 1.572 -5.084
67 HB2 SER 12 1HB SER 12 -3.954 0.833 -8.013
68 HB3 SER 12 2HB SER 12 -3.705 -0.235 -6.632
69 HG SER 12 HG SER 12 -5.789 -0.541 -7.056
70 H CYS 13 H CYS 13 -1.783 1.383 -4.728
71 HA CYS 13 HA CYS 13 -0.005 3.282 -5.817
72 HB2 CYS 13 1HB CYS 13 0.299 2.353 -3.576
73 HB3 CYS 13 2HB CYS 13 0.582 0.755 -4.260
74 H ASN 14 H ASN 14 2.023 2.812 -6.950
75 HA ASN 14 HA ASN 14 1.747 0.565 -8.836
76 HB2 ASN 14 1HB ASN 14 1.390 3.066 -9.636
77 HB3 ASN 14 2HB ASN 14 3.151 3.067 -9.667
78 HD21 ASN 14 1HD2 ASN 14 4.064 1.014 -10.746
79 HD22 ASN 14 2HD2 ASN 14 3.334 0.589 -12.253
80 H GLU 15 H GLU 15 3.937 2.691 -7.076
81 HA GLU 15 HA GLU 15 6.382 1.694 -7.914
82 HB2 GLU 15 1HB GLU 15 5.910 2.408 -5.037
83 HB3 GLU 15 2HB GLU 15 7.325 2.716 -6.033
84 HG2 GLU 15 1HG GLU 15 5.608 4.191 -7.391
85 HG3 GLU 15 2HG GLU 15 4.776 4.218 -5.838
86 H CYS 16 H CYS 16 4.791 0.774 -4.855
87 HA CYS 16 HA CYS 16 6.213 -1.785 -4.956
88 HB2 CYS 16 1HB CYS 16 5.929 -1.942 -2.633
89 HB3 CYS 16 2HB CYS 16 6.226 -0.228 -2.904
90 H GLY 17 H GLY 17 2.973 -0.412 -4.795
91 HA2 GLY 17 1HA GLY 17 1.199 -1.572 -5.987
92 HA3 GLY 17 2HA GLY 17 1.912 -3.086 -5.452
93 H LYS 18 H LYS 18 -0.604 -1.049 -4.965
94 HA LYS 18 HA LYS 18 -1.542 -2.403 -2.680
95 HB2 LYS 18 1HB LYS 18 0.212 -0.956 -1.618
96 HB3 LYS 18 2HB LYS 18 -0.704 0.450 -2.143
97 HG2 LYS 18 1HG LYS 18 -2.358 0.123 -0.608
98 HG3 LYS 18 2HG LYS 18 -2.111 -1.624 -0.548
99 HD2 LYS 18 1HD LYS 18 -0.117 -1.354 0.763
100 HD3 LYS 18 2HD LYS 18 -0.171 0.399 0.567
101 HE2 LYS 18 1HE LYS 18 -1.932 0.642 2.035
102 HE3 LYS 18 2HE LYS 18 -2.500 -1.009 1.791
103 HZ1 LYS 18 3HZ LYS 18 -1.326 -0.404 3.981
104 HZ2 LYS 18 1HZ LYS 18 0.102 -0.511 3.081
105 HZ3 LYS 18 2HZ LYS 18 -0.914 -1.856 3.216
106 H ALA 19 H ALA 19 -3.530 -1.210 -1.740
107 HA ALA 19 HA ALA 19 -4.879 0.289 -3.888
108 HB1 ALA 19 3HB ALA 19 -5.825 -2.110 -2.379
109 HB2 ALA 19 1HB ALA 19 -6.990 -0.934 -2.988
110 HB3 ALA 19 2HB ALA 19 -5.909 -1.765 -4.107
111 H PHE 20 H PHE 20 -6.661 1.638 -3.173
112 HA PHE 20 HA PHE 20 -6.975 2.172 -0.361
113 HB2 PHE 20 1HB PHE 20 -5.655 4.221 -2.153
114 HB3 PHE 20 2HB PHE 20 -6.285 4.562 -0.544
115 HD1 PHE 20 HD2 PHE 20 -5.214 3.572 1.440
116 HD2 PHE 20 HD1 PHE 20 -3.575 3.118 -2.462
117 HE1 PHE 20 HE2 PHE 20 -3.062 2.898 2.425
118 HE2 PHE 20 HE1 PHE 20 -1.421 2.444 -1.483
119 HZ PHE 20 HZ PHE 20 -1.162 2.334 0.964
120 H THR 21 H THR 21 -8.862 3.234 0.094
121 HA THR 21 HA THR 21 -10.777 3.412 -2.043
122 HB THR 21 HB THR 21 -11.080 4.140 0.877
123 HG1 THR 21 HG1 THR 21 -12.321 2.012 0.660
124 HG21 THR 21 3HG2 THR 21 -12.848 5.216 -0.205
125 HG22 THR 21 1HG2 THR 21 -13.543 3.666 0.265
126 HG23 THR 21 2HG2 THR 21 -13.025 3.931 -1.400
127 H PHE 22 H PHE 22 -8.893 5.647 -0.123
128 HA PHE 22 HA PHE 22 -10.015 7.863 -1.706
129 HB2 PHE 22 1HB PHE 22 -9.466 7.674 1.224
130 HB3 PHE 22 2HB PHE 22 -9.239 9.226 0.426
131 HD1 PHE 22 HD2 PHE 22 -11.679 6.652 1.357
132 HD2 PHE 22 HD1 PHE 22 -11.102 10.499 -0.372
133 HE1 PHE 22 HE2 PHE 22 -14.095 7.087 1.526
134 HE2 PHE 22 HE1 PHE 22 -13.517 10.940 -0.205
135 HZ PHE 22 HZ PHE 22 -15.017 9.232 0.744
136 H LYS 23 H LYS 23 -8.581 9.507 -2.330
137 HA LYS 23 HA LYS 23 -6.052 8.726 -3.142
138 HB2 LYS 23 1HB LYS 23 -7.275 10.643 -4.088
139 HB3 LYS 23 2HB LYS 23 -7.017 11.541 -2.597
140 HG2 LYS 23 1HG LYS 23 -5.355 12.384 -3.928
141 HG3 LYS 23 2HG LYS 23 -4.498 11.087 -3.092
142 HD2 LYS 23 1HD LYS 23 -3.866 10.616 -5.231
143 HD3 LYS 23 2HD LYS 23 -5.367 9.688 -5.175
144 HE2 LYS 23 1HE LYS 23 -5.715 10.832 -7.115
145 HE3 LYS 23 2HE LYS 23 -6.388 11.997 -5.976
146 HZ1 LYS 23 3HZ LYS 23 -3.830 12.738 -6.008
147 HZ2 LYS 23 1HZ LYS 23 -5.005 13.393 -7.034
148 HZ3 LYS 23 2HZ LYS 23 -3.986 12.163 -7.591
149 H SER 24 H SER 24 -6.718 11.099 -0.558
150 HA SER 24 HA SER 24 -4.316 11.569 0.491
151 HB2 SER 24 1HB SER 24 -6.815 10.867 2.043
152 HB3 SER 24 2HB SER 24 -5.374 11.567 2.780
153 HG SER 24 HG SER 24 -6.626 13.283 2.286
154 H GLN 25 H GLN 25 -6.210 8.705 1.462
155 HA GLN 25 HA GLN 25 -4.388 7.478 3.100
156 HB2 GLN 25 1HB GLN 25 -6.291 6.201 1.132
157 HB3 GLN 25 2HB GLN 25 -5.440 5.319 2.393
158 HG2 GLN 25 1HG GLN 25 -6.548 7.116 3.951
159 HG3 GLN 25 2HG GLN 25 -7.688 7.250 2.612
160 HE21 GLN 25 1HE2 GLN 25 -8.723 5.257 1.895
161 HE22 GLN 25 2HE2 GLN 25 -9.070 4.031 3.061
162 H LEU 26 H LEU 26 -4.535 7.354 -0.432
163 HA LEU 26 HA LEU 26 -2.370 5.516 -0.701
164 HB2 LEU 26 1HB LEU 26 -3.979 5.662 -2.458
165 HB3 LEU 26 2HB LEU 26 -3.705 7.394 -2.639
166 HG LEU 26 HG LEU 26 -1.406 6.877 -3.452
167 HD11 LEU 26 1HD1 LEU 26 -0.569 4.802 -3.570
168 HD12 LEU 26 2HD1 LEU 26 -2.104 4.102 -4.081
169 HD13 LEU 26 3HD1 LEU 26 -1.804 4.415 -2.372
170 HD21 LEU 26 3HD2 LEU 26 -2.314 7.072 -5.466
171 HD22 LEU 26 1HD2 LEU 26 -3.883 6.645 -4.783
172 HD23 LEU 26 2HD2 LEU 26 -2.830 5.385 -5.426
173 H ILE 27 H ILE 27 -2.673 9.030 -0.800
174 HA ILE 27 HA ILE 27 -0.114 9.672 -1.705
175 HB ILE 27 HB ILE 27 -1.593 11.283 0.366
176 HG12 ILE 27 1HG1 ILE 27 -3.258 10.776 -1.267
177 HG13 ILE 27 2HG1 ILE 27 -2.682 12.400 -1.628
178 HG21 ILE 27 1HG2 ILE 27 0.394 11.912 -1.797
179 HG22 ILE 27 2HG2 ILE 27 -0.604 13.156 -1.045
180 HG23 ILE 27 3HG2 ILE 27 0.521 12.216 -0.065
181 HD11 ILE 27 3HD1 ILE 27 -1.049 11.038 -3.218
182 HD12 ILE 27 1HD1 ILE 27 -2.391 9.895 -3.166
183 HD13 ILE 27 2HD1 ILE 27 -2.661 11.548 -3.719
184 H VAL 28 H VAL 28 -1.281 8.993 1.564
185 HA VAL 28 HA VAL 28 1.127 9.628 2.906
186 HB VAL 28 HB VAL 28 -0.990 7.667 3.797
187 HG11 VAL 28 1HG1 VAL 28 -0.214 8.438 6.071
188 HG12 VAL 28 2HG1 VAL 28 0.931 7.444 5.167
189 HG13 VAL 28 3HG1 VAL 28 1.156 9.192 5.255
190 HG21 VAL 28 3HG2 VAL 28 -1.531 9.944 5.150
191 HG22 VAL 28 1HG2 VAL 28 -0.987 10.604 3.607
192 HG23 VAL 28 2HG2 VAL 28 -2.337 9.470 3.654
193 H HIS 29 H HIS 29 -0.213 6.549 1.744
194 HA HIS 29 HA HIS 29 1.947 4.952 2.642
195 HB2 HIS 29 1HB HIS 29 0.049 3.696 2.224
196 HB3 HIS 29 2HB HIS 29 -0.330 4.567 0.741
197 HD1 HIS 29 HD1 HIS 29 1.486 1.618 2.033
198 HD2 HIS 29 HD2 HIS 29 1.130 3.694 -1.548
199 HE1 HIS 29 HE1 HIS 29 2.454 0.100 0.276
200 H LYS 30 H LYS 30 1.437 6.907 -0.177
201 HA LYS 30 HA LYS 30 3.492 5.704 -1.769
202 HB2 LYS 30 1HB LYS 30 1.830 8.190 -1.973
203 HB3 LYS 30 2HB LYS 30 3.228 7.989 -3.021
204 HG2 LYS 30 1HG LYS 30 2.115 5.659 -3.512
205 HG3 LYS 30 2HG LYS 30 0.657 6.496 -2.974
206 HD2 LYS 30 1HD LYS 30 0.869 8.138 -4.677
207 HD3 LYS 30 2HD LYS 30 2.501 7.601 -5.084
208 HE2 LYS 30 1HE LYS 30 1.410 5.356 -5.660
209 HE3 LYS 30 2HE LYS 30 -0.118 6.234 -5.625
210 HZ1 LYS 30 3HZ LYS 30 0.435 6.445 -7.810
211 HZ2 LYS 30 1HZ LYS 30 2.103 6.443 -7.523
212 HZ3 LYS 30 2HZ LYS 30 1.192 7.833 -7.209
213 H GLY 31 H GLY 31 3.314 8.335 0.538
214 HA2 GLY 31 1HA GLY 31 5.624 9.743 -0.001
215 HA3 GLY 31 2HA GLY 31 4.981 9.495 1.615
216 H VAL 32 H VAL 32 5.306 6.600 1.529
217 HA VAL 32 HA VAL 32 7.836 6.366 2.671
218 HB VAL 32 HB VAL 32 7.481 4.056 2.800
219 HG11 VAL 32 1HG1 VAL 32 5.571 5.718 3.640
220 HG12 VAL 32 2HG1 VAL 32 4.612 4.736 2.531
221 HG13 VAL 32 3HG1 VAL 32 5.478 3.971 3.863
222 HG21 VAL 32 3HG2 VAL 32 5.957 2.818 1.315
223 HG22 VAL 32 1HG2 VAL 32 5.658 4.301 0.408
224 HG23 VAL 32 2HG2 VAL 32 7.272 3.589 0.427
225 H HIS 33 H HIS 33 6.784 5.928 -0.651
226 HA HIS 33 HA HIS 33 9.376 4.936 -1.492
227 HB2 HIS 33 1HB HIS 33 7.167 5.785 -3.348
228 HB3 HIS 33 2HB HIS 33 8.411 4.564 -3.602
229 HD1 HIS 33 HD1 HIS 33 8.130 2.530 -1.606
230 HD2 HIS 33 HD2 HIS 33 4.783 4.617 -2.913
231 HE1 HIS 33 HE1 HIS 33 6.163 1.073 -1.032
232 H THR 34 H THR 34 7.639 7.937 -1.374
233 HA THR 34 HA THR 34 9.470 9.286 -3.177
234 HB THR 34 HB THR 34 8.106 11.195 -2.987
235 HG1 THR 34 HG1 THR 34 6.693 11.528 -1.280
236 HG21 THR 34 3HG2 THR 34 6.018 10.430 -3.672
237 HG22 THR 34 1HG2 THR 34 6.036 9.071 -2.549
238 HG23 THR 34 2HG2 THR 34 7.058 9.041 -3.986
239 H GLY 35 H GLY 35 10.942 8.236 -1.168
240 HA2 GLY 35 1HA GLY 35 12.527 10.245 -0.247
241 HA3 GLY 35 2HA GLY 35 11.289 10.110 0.993
242 H VAL 36 H VAL 36 12.963 7.646 -0.952
243 HA VAL 36 HA VAL 36 14.156 6.580 1.506
244 HB VAL 36 HB VAL 36 12.082 5.309 1.111
245 HG11 VAL 36 1HG1 VAL 36 12.373 3.675 -0.962
246 HG12 VAL 36 2HG1 VAL 36 11.575 5.243 -1.108
247 HG13 VAL 36 3HG1 VAL 36 13.258 5.060 -1.602
248 HG21 VAL 36 3HG2 VAL 36 14.064 3.277 0.386
249 HG22 VAL 36 1HG2 VAL 36 14.556 4.331 1.712
250 HG23 VAL 36 2HG2 VAL 36 13.053 3.415 1.824
251 H LYS 37 H LYS 37 16.068 5.417 1.214
252 HA LYS 37 HA LYS 37 17.178 5.446 -1.513
253 HB2 LYS 37 1HB LYS 37 19.376 6.011 -0.546
254 HB3 LYS 37 2HB LYS 37 18.181 7.268 -0.255
255 HG2 LYS 37 1HG LYS 37 19.107 7.160 1.811
256 HG3 LYS 37 2HG LYS 37 17.856 5.929 2.003
257 HD2 LYS 37 1HD LYS 37 19.661 4.764 2.782
258 HD3 LYS 37 2HD LYS 37 19.767 4.356 1.068
259 HE2 LYS 37 1HE LYS 37 21.178 6.778 2.094
260 HE3 LYS 37 2HE LYS 37 21.879 5.186 2.376
261 HZ1 LYS 37 3HZ LYS 37 21.277 5.060 -0.230
262 HZ2 LYS 37 1HZ LYS 37 22.790 5.520 0.373
263 HZ3 LYS 37 2HZ LYS 37 21.665 6.699 -0.077
264 HA PRO 38 HA PRO 38 18.003 1.173 -0.827
265 HB2 PRO 38 1HB PRO 38 19.906 0.810 -2.728
266 HB3 PRO 38 2HB PRO 38 18.190 1.001 -3.110
267 HG2 PRO 38 1HG PRO 38 20.391 3.028 -3.213
268 HG3 PRO 38 2HG PRO 38 19.083 2.737 -4.374
269 HD2 PRO 38 1HD PRO 38 19.002 4.748 -2.563
270 HD3 PRO 38 2HD PRO 38 17.542 3.908 -3.123
271 H SER 39 H SER 39 19.844 -0.315 -0.390
272 HA SER 39 HA SER 39 21.388 0.492 1.738
273 HB2 SER 39 1HB SER 39 20.921 -1.889 0.827
274 HB3 SER 39 2HB SER 39 22.369 -1.640 -0.147
275 HG SER 39 HG SER 39 22.832 -2.648 1.860
276 H GLY 40 H GLY 40 23.962 0.089 1.595
277 HA2 GLY 40 1HA GLY 40 25.197 2.335 0.812
278 HA3 GLY 40 2HA GLY 40 26.008 0.778 0.736
279 HA PRO 41 HA PRO 41 25.073 2.757 -3.560
280 HB2 PRO 41 1HB PRO 41 27.252 4.337 -3.912
281 HB3 PRO 41 2HB PRO 41 25.737 4.931 -3.222
282 HG2 PRO 41 1HG PRO 41 28.249 4.085 -1.831
283 HG3 PRO 41 2HG PRO 41 27.207 5.483 -1.507
284 HD2 PRO 41 1HD PRO 41 27.104 3.216 -0.030
285 HD3 PRO 41 2HD PRO 41 25.676 4.228 -0.328
286 H SER 42 H SER 42 27.263 0.885 -1.959
287 HA SER 42 HA SER 42 29.176 0.450 -4.054
288 HB2 SER 42 1HB SER 42 29.405 0.053 -1.468
289 HB3 SER 42 2HB SER 42 28.710 -1.523 -1.845
290 HG SER 42 HG SER 42 30.899 -1.744 -2.013
291 H SER 43 H SER 43 26.891 0.214 -5.348
292 HA SER 43 HA SER 43 26.667 -2.673 -5.852
293 HB2 SER 43 1HB SER 43 24.670 -2.101 -4.626
294 HB3 SER 43 2HB SER 43 24.385 -0.696 -5.653
295 HG SER 43 HG SER 43 23.830 -2.013 -7.315
296 H GLY 44 H GLY 44 28.287 -1.990 -7.498
297 HA2 GLY 44 1HA GLY 44 26.901 -0.961 -9.897
298 HA3 GLY 44 2HA GLY 44 28.553 -0.504 -9.508
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -7.347 -17.215 -2.684
2 HA2 GLY 1 1HA GLY 1 -8.729 -18.486 -0.801
3 HA3 GLY 1 2HA GLY 1 -8.482 -16.933 -0.015
4 H SER 2 H SER 2 -10.761 -18.587 -1.484
5 HA SER 2 HA SER 2 -11.776 -17.138 -3.593
6 HB2 SER 2 1HB SER 2 -12.758 -19.251 -2.820
7 HB3 SER 2 2HB SER 2 -13.347 -18.452 -1.362
8 HG SER 2 HG SER 2 -14.088 -17.801 -4.025
9 H SER 3 H SER 3 -12.313 -16.577 -0.127
10 HA SER 3 HA SER 3 -14.125 -14.577 -0.092
11 HB2 SER 3 1HB SER 3 -13.060 -15.431 1.941
12 HB3 SER 3 2HB SER 3 -11.550 -14.631 1.502
13 HG SER 3 HG SER 3 -13.159 -12.694 1.435
14 H GLY 4 H GLY 4 -14.243 -12.409 -0.511
15 HA2 GLY 4 1HA GLY 4 -12.433 -10.471 -0.801
16 HA3 GLY 4 2HA GLY 4 -12.203 -11.358 -2.301
17 H SER 5 H SER 5 -15.243 -10.799 -0.588
18 HA SER 5 HA SER 5 -16.372 -9.690 -3.027
19 HB2 SER 5 1HB SER 5 -17.479 -10.777 -0.474
20 HB3 SER 5 2HB SER 5 -18.471 -9.656 -1.406
21 HG SER 5 HG SER 5 -18.615 -11.081 -3.009
22 H SER 6 H SER 6 -15.737 -7.614 -3.289
23 HA SER 6 HA SER 6 -16.945 -5.598 -1.712
24 HB2 SER 6 1HB SER 6 -14.953 -4.545 -0.768
25 HB3 SER 6 2HB SER 6 -15.110 -6.193 -0.161
26 HG SER 6 HG SER 6 -13.675 -6.565 -2.198
27 H GLY 7 H GLY 7 -16.635 -3.479 -2.579
28 HA2 GLY 7 1HA GLY 7 -16.462 -3.359 -5.354
29 HA3 GLY 7 2HA GLY 7 -16.329 -1.972 -4.283
30 H GLU 8 H GLU 8 -14.889 -1.421 -6.231
31 HA GLU 8 HA GLU 8 -12.177 -2.477 -5.792
32 HB2 GLU 8 1HB GLU 8 -13.361 -1.112 -8.216
33 HB3 GLU 8 2HB GLU 8 -11.678 -1.595 -8.064
34 HG2 GLU 8 1HG GLU 8 -14.041 -3.456 -7.991
35 HG3 GLU 8 2HG GLU 8 -12.986 -3.188 -9.377
36 H LYS 9 H LYS 9 -10.454 -1.079 -5.511
37 HA LYS 9 HA LYS 9 -11.179 1.574 -4.550
38 HB2 LYS 9 1HB LYS 9 -8.808 -0.219 -4.232
39 HB3 LYS 9 2HB LYS 9 -8.608 1.509 -3.974
40 HG2 LYS 9 1HG LYS 9 -9.885 1.518 -2.083
41 HG3 LYS 9 2HG LYS 9 -10.850 0.131 -2.595
42 HD2 LYS 9 1HD LYS 9 -8.834 -1.303 -2.246
43 HD3 LYS 9 2HD LYS 9 -8.017 0.104 -1.560
44 HE2 LYS 9 1HE LYS 9 -10.661 -0.844 -0.504
45 HE3 LYS 9 2HE LYS 9 -9.145 -1.556 0.046
46 HZ1 LYS 9 3HZ LYS 9 -8.800 0.167 1.373
47 HZ2 LYS 9 1HZ LYS 9 -10.342 0.745 0.985
48 HZ3 LYS 9 2HZ LYS 9 -8.996 1.273 0.107
49 HA PRO 10 HA PRO 10 -9.892 3.269 -8.482
50 HB2 PRO 10 1HB PRO 10 -10.496 5.841 -7.858
51 HB3 PRO 10 2HB PRO 10 -11.720 4.652 -8.319
52 HG2 PRO 10 1HG PRO 10 -10.928 5.595 -5.590
53 HG3 PRO 10 2HG PRO 10 -12.549 5.305 -6.247
54 HD2 PRO 10 1HD PRO 10 -11.291 3.528 -4.638
55 HD3 PRO 10 2HD PRO 10 -12.412 3.028 -5.920
56 H TYR 11 H TYR 11 -8.370 3.337 -5.581
57 HA TYR 11 HA TYR 11 -6.187 4.997 -6.642
58 HB2 TYR 11 1HB TYR 11 -7.081 4.924 -3.753
59 HB3 TYR 11 2HB TYR 11 -5.728 5.848 -4.396
60 HD1 TYR 11 HD2 TYR 11 -9.401 5.574 -4.304
61 HD2 TYR 11 HD1 TYR 11 -6.074 7.931 -5.523
62 HE1 TYR 11 HE2 TYR 11 -10.909 7.469 -4.736
63 HE2 TYR 11 HE1 TYR 11 -7.573 9.832 -5.957
64 HH TYR 11 HH TYR 11 -10.042 10.141 -6.512
65 H SER 12 H SER 12 -4.582 3.639 -7.070
66 HA SER 12 HA SER 12 -3.848 1.659 -5.022
67 HB2 SER 12 1HB SER 12 -3.223 0.088 -6.861
68 HB3 SER 12 2HB SER 12 -4.954 0.419 -6.786
69 HG SER 12 HG SER 12 -3.412 2.066 -8.416
70 H CYS 13 H CYS 13 -1.601 1.007 -5.072
71 HA CYS 13 HA CYS 13 0.122 3.242 -5.738
72 HB2 CYS 13 1HB CYS 13 0.445 2.259 -3.568
73 HB3 CYS 13 2HB CYS 13 0.616 0.651 -4.265
74 H ASN 14 H ASN 14 2.175 2.927 -6.850
75 HA ASN 14 HA ASN 14 2.001 0.834 -8.917
76 HB2 ASN 14 1HB ASN 14 3.388 3.481 -9.303
77 HB3 ASN 14 2HB ASN 14 2.864 2.331 -10.530
78 HD21 ASN 14 1HD2 ASN 14 2.291 5.215 -10.091
79 HD22 ASN 14 2HD2 ASN 14 0.567 5.332 -10.094
80 H GLU 15 H GLU 15 4.057 2.602 -6.705
81 HA GLU 15 HA GLU 15 6.549 1.618 -7.543
82 HB2 GLU 15 1HB GLU 15 5.814 2.275 -4.692
83 HB3 GLU 15 2HB GLU 15 7.400 2.370 -5.443
84 HG2 GLU 15 1HG GLU 15 5.266 4.023 -6.641
85 HG3 GLU 15 2HG GLU 15 5.841 4.495 -5.043
86 H CYS 16 H CYS 16 4.914 0.633 -4.537
87 HA CYS 16 HA CYS 16 6.106 -2.028 -4.843
88 HB2 CYS 16 1HB CYS 16 5.795 -2.317 -2.492
89 HB3 CYS 16 2HB CYS 16 6.459 -0.703 -2.726
90 H GLY 17 H GLY 17 3.165 -0.399 -5.217
91 HA2 GLY 17 1HA GLY 17 1.202 -1.319 -6.097
92 HA3 GLY 17 2HA GLY 17 1.794 -2.921 -5.683
93 H LYS 18 H LYS 18 -0.656 -0.970 -5.086
94 HA LYS 18 HA LYS 18 -1.496 -2.305 -2.756
95 HB2 LYS 18 1HB LYS 18 0.256 -0.774 -1.781
96 HB3 LYS 18 2HB LYS 18 -0.753 0.581 -2.270
97 HG2 LYS 18 1HG LYS 18 -2.319 0.178 -0.663
98 HG3 LYS 18 2HG LYS 18 -1.985 -1.555 -0.615
99 HD2 LYS 18 1HD LYS 18 0.036 -1.196 0.620
100 HD3 LYS 18 2HD LYS 18 -0.087 0.552 0.410
101 HE2 LYS 18 1HE LYS 18 -0.882 0.269 2.559
102 HE3 LYS 18 2HE LYS 18 -2.371 0.270 1.616
103 HZ1 LYS 18 3HZ LYS 18 -2.316 -1.518 3.261
104 HZ2 LYS 18 1HZ LYS 18 -0.933 -2.162 2.530
105 HZ3 LYS 18 2HZ LYS 18 -2.398 -2.129 1.686
106 H ALA 19 H ALA 19 -3.479 -1.112 -1.768
107 HA ALA 19 HA ALA 19 -4.912 0.356 -3.877
108 HB1 ALA 19 3HB ALA 19 -6.141 -1.476 -4.226
109 HB2 ALA 19 1HB ALA 19 -5.555 -2.257 -2.757
110 HB3 ALA 19 2HB ALA 19 -6.895 -1.113 -2.674
111 H PHE 20 H PHE 20 -6.668 1.671 -3.127
112 HA PHE 20 HA PHE 20 -7.074 2.046 -0.304
113 HB2 PHE 20 1HB PHE 20 -5.716 4.217 -1.915
114 HB3 PHE 20 2HB PHE 20 -6.351 4.416 -0.285
115 HD1 PHE 20 HD2 PHE 20 -5.254 3.353 1.616
116 HD2 PHE 20 HD1 PHE 20 -3.665 3.048 -2.321
117 HE1 PHE 20 HE2 PHE 20 -3.106 2.596 2.545
118 HE2 PHE 20 HE1 PHE 20 -1.514 2.289 -1.398
119 HZ PHE 20 HZ PHE 20 -1.232 2.064 1.039
120 H THR 21 H THR 21 -8.971 3.094 0.146
121 HA THR 21 HA THR 21 -10.816 3.394 -2.033
122 HB THR 21 HB THR 21 -11.306 4.160 0.845
123 HG1 THR 21 HG1 THR 21 -11.270 1.627 -0.418
124 HG21 THR 21 3HG2 THR 21 -13.311 2.994 -1.043
125 HG22 THR 21 1HG2 THR 21 -12.917 4.710 -1.134
126 HG23 THR 21 2HG2 THR 21 -13.566 4.032 0.359
127 H PHE 22 H PHE 22 -9.096 5.553 0.154
128 HA PHE 22 HA PHE 22 -10.218 7.853 -1.300
129 HB2 PHE 22 1HB PHE 22 -9.275 7.500 1.520
130 HB3 PHE 22 2HB PHE 22 -9.199 9.095 0.779
131 HD1 PHE 22 HD1 PHE 22 -11.377 9.983 -0.280
132 HD2 PHE 22 HD2 PHE 22 -11.231 6.780 2.520
133 HE1 PHE 22 HE1 PHE 22 -13.751 10.347 0.255
134 HE2 PHE 22 HE2 PHE 22 -13.605 7.139 3.059
135 HZ PHE 22 HZ PHE 22 -14.868 8.924 1.926
136 H LYS 23 H LYS 23 -8.813 9.572 -1.895
137 HA LYS 23 HA LYS 23 -6.381 8.750 -3.032
138 HB2 LYS 23 1HB LYS 23 -7.681 10.633 -3.902
139 HB3 LYS 23 2HB LYS 23 -7.365 11.546 -2.433
140 HG2 LYS 23 1HG LYS 23 -5.212 12.014 -3.017
141 HG3 LYS 23 2HG LYS 23 -5.039 10.550 -3.988
142 HD2 LYS 23 1HD LYS 23 -6.814 11.698 -5.519
143 HD3 LYS 23 2HD LYS 23 -6.281 13.172 -4.709
144 HE2 LYS 23 1HE LYS 23 -4.830 13.157 -6.470
145 HE3 LYS 23 2HE LYS 23 -3.894 12.216 -5.309
146 HZ1 LYS 23 3HZ LYS 23 -4.067 11.278 -7.622
147 HZ2 LYS 23 1HZ LYS 23 -5.695 10.955 -7.293
148 HZ3 LYS 23 2HZ LYS 23 -4.484 10.220 -6.369
149 H SER 24 H SER 24 -6.880 11.066 -0.361
150 HA SER 24 HA SER 24 -4.361 11.573 0.433
151 HB2 SER 24 1HB SER 24 -5.202 11.726 2.769
152 HB3 SER 24 2HB SER 24 -6.282 12.497 1.607
153 HG SER 24 HG SER 24 -6.657 10.223 3.152
154 H GLN 25 H GLN 25 -6.189 8.667 1.360
155 HA GLN 25 HA GLN 25 -4.307 7.458 2.986
156 HB2 GLN 25 1HB GLN 25 -6.234 6.139 1.067
157 HB3 GLN 25 2HB GLN 25 -5.388 5.316 2.371
158 HG2 GLN 25 1HG GLN 25 -6.504 6.942 3.948
159 HG3 GLN 25 2HG GLN 25 -7.509 7.429 2.583
160 HE21 GLN 25 1HE2 GLN 25 -8.195 6.120 5.131
161 HE22 GLN 25 2HE2 GLN 25 -9.025 4.669 4.696
162 H LEU 26 H LEU 26 -4.556 7.433 -0.534
163 HA LEU 26 HA LEU 26 -2.416 5.577 -0.913
164 HB2 LEU 26 1HB LEU 26 -4.073 5.752 -2.615
165 HB3 LEU 26 2HB LEU 26 -3.821 7.490 -2.762
166 HG LEU 26 HG LEU 26 -1.618 7.093 -3.743
167 HD11 LEU 26 1HD1 LEU 26 -1.343 4.576 -4.500
168 HD12 LEU 26 2HD1 LEU 26 -2.259 4.285 -3.021
169 HD13 LEU 26 3HD1 LEU 26 -0.725 5.153 -2.952
170 HD21 LEU 26 3HD2 LEU 26 -4.046 6.776 -4.952
171 HD22 LEU 26 1HD2 LEU 26 -3.204 5.298 -5.422
172 HD23 LEU 26 2HD2 LEU 26 -2.497 6.871 -5.791
173 H ILE 27 H ILE 27 -2.700 9.073 -0.780
174 HA ILE 27 HA ILE 27 -0.150 9.714 -1.792
175 HB ILE 27 HB ILE 27 -1.593 11.337 0.291
176 HG12 ILE 27 1HG1 ILE 27 -3.284 10.801 -1.322
177 HG13 ILE 27 2HG1 ILE 27 -2.741 12.441 -1.661
178 HG21 ILE 27 1HG2 ILE 27 0.219 12.601 -0.085
179 HG22 ILE 27 2HG2 ILE 27 0.613 11.760 -1.584
180 HG23 ILE 27 3HG2 ILE 27 -0.596 13.043 -1.585
181 HD11 ILE 27 3HD1 ILE 27 -2.456 11.811 -3.760
182 HD12 ILE 27 1HD1 ILE 27 -1.110 10.811 -3.214
183 HD13 ILE 27 2HD1 ILE 27 -2.727 10.118 -3.350
184 H VAL 28 H VAL 28 -1.302 9.052 1.486
185 HA VAL 28 HA VAL 28 1.113 9.673 2.817
186 HB VAL 28 HB VAL 28 -1.051 7.750 3.684
187 HG11 VAL 28 1HG1 VAL 28 0.142 9.034 5.879
188 HG12 VAL 28 2HG1 VAL 28 0.257 7.332 5.430
189 HG13 VAL 28 3HG1 VAL 28 1.463 8.481 4.851
190 HG21 VAL 28 3HG2 VAL 28 -0.893 10.688 3.610
191 HG22 VAL 28 1HG2 VAL 28 -2.300 9.624 3.640
192 HG23 VAL 28 2HG2 VAL 28 -1.446 9.998 5.136
193 H HIS 29 H HIS 29 -0.199 6.643 1.534
194 HA HIS 29 HA HIS 29 1.942 5.016 2.460
195 HB2 HIS 29 1HB HIS 29 0.049 3.765 2.015
196 HB3 HIS 29 2HB HIS 29 -0.327 4.661 0.546
197 HD1 HIS 29 HD1 HIS 29 1.724 1.806 1.818
198 HD2 HIS 29 HD2 HIS 29 0.901 3.711 -1.781
199 HE1 HIS 29 HE1 HIS 29 2.635 0.289 0.031
200 H LYS 30 H LYS 30 1.405 6.950 -0.387
201 HA LYS 30 HA LYS 30 3.466 5.788 -1.977
202 HB2 LYS 30 1HB LYS 30 1.809 8.274 -2.125
203 HB3 LYS 30 2HB LYS 30 3.231 8.134 -3.151
204 HG2 LYS 30 1HG LYS 30 2.213 5.854 -3.833
205 HG3 LYS 30 2HG LYS 30 0.717 6.522 -3.178
206 HD2 LYS 30 1HD LYS 30 0.894 8.429 -4.689
207 HD3 LYS 30 2HD LYS 30 2.415 7.798 -5.324
208 HE2 LYS 30 1HE LYS 30 -0.152 6.235 -5.422
209 HE3 LYS 30 2HE LYS 30 0.320 7.357 -6.698
210 HZ1 LYS 30 3HZ LYS 30 2.541 5.882 -6.414
211 HZ2 LYS 30 1HZ LYS 30 1.328 5.565 -7.549
212 HZ3 LYS 30 2HZ LYS 30 1.350 4.729 -6.080
213 H GLY 31 H GLY 31 3.394 8.137 0.559
214 HA2 GLY 31 1HA GLY 31 5.731 9.582 -0.020
215 HA3 GLY 31 2HA GLY 31 5.048 9.353 1.583
216 H VAL 32 H VAL 32 5.279 6.413 1.376
217 HA VAL 32 HA VAL 32 7.785 6.098 2.597
218 HB VAL 32 HB VAL 32 7.337 3.804 2.725
219 HG11 VAL 32 1HG1 VAL 32 5.482 5.552 3.538
220 HG12 VAL 32 2HG1 VAL 32 4.497 4.579 2.443
221 HG13 VAL 32 3HG1 VAL 32 5.338 3.813 3.791
222 HG21 VAL 32 3HG2 VAL 32 5.632 4.161 0.267
223 HG22 VAL 32 1HG2 VAL 32 7.131 3.244 0.416
224 HG23 VAL 32 2HG2 VAL 32 5.669 2.683 1.227
225 H HIS 33 H HIS 33 6.835 6.047 -0.726
226 HA HIS 33 HA HIS 33 9.356 4.825 -1.558
227 HB2 HIS 33 1HB HIS 33 7.159 5.795 -3.379
228 HB3 HIS 33 2HB HIS 33 8.409 4.602 -3.720
229 HD1 HIS 33 HD1 HIS 33 8.169 2.463 -1.820
230 HD2 HIS 33 HD2 HIS 33 4.792 4.572 -3.009
231 HE1 HIS 33 HE1 HIS 33 6.221 0.954 -1.314
232 H THR 34 H THR 34 8.005 7.882 -1.033
233 HA THR 34 HA THR 34 9.746 9.226 -2.953
234 HB THR 34 HB THR 34 8.611 11.272 -2.356
235 HG1 THR 34 HG1 THR 34 8.377 10.589 -0.058
236 HG21 THR 34 3HG2 THR 34 6.427 9.213 -2.464
237 HG22 THR 34 1HG2 THR 34 7.490 9.495 -3.842
238 HG23 THR 34 2HG2 THR 34 6.485 10.804 -3.220
239 H GLY 35 H GLY 35 11.217 7.885 -1.077
240 HA2 GLY 35 1HA GLY 35 12.456 10.124 0.357
241 HA3 GLY 35 2HA GLY 35 12.013 8.693 1.276
242 H VAL 36 H VAL 36 14.591 10.149 0.127
243 HA VAL 36 HA VAL 36 15.944 8.181 -1.389
244 HB VAL 36 HB VAL 36 16.649 10.546 -1.318
245 HG11 VAL 36 1HG1 VAL 36 16.982 11.619 0.596
246 HG12 VAL 36 2HG1 VAL 36 16.566 10.144 1.470
247 HG13 VAL 36 3HG1 VAL 36 18.247 10.477 1.051
248 HG21 VAL 36 3HG2 VAL 36 18.190 8.459 -1.748
249 HG22 VAL 36 1HG2 VAL 36 18.868 10.085 -1.672
250 HG23 VAL 36 2HG2 VAL 36 18.984 9.016 -0.274
251 H LYS 37 H LYS 37 17.161 6.466 -0.813
252 HA LYS 37 HA LYS 37 17.700 6.028 2.042
253 HB2 LYS 37 1HB LYS 37 15.684 4.740 1.335
254 HB3 LYS 37 2HB LYS 37 16.678 3.902 0.151
255 HG2 LYS 37 1HG LYS 37 18.111 3.112 2.046
256 HG3 LYS 37 2HG LYS 37 16.908 3.786 3.147
257 HD2 LYS 37 1HD LYS 37 15.228 2.300 2.350
258 HD3 LYS 37 2HD LYS 37 16.242 1.777 1.003
259 HE2 LYS 37 1HE LYS 37 17.869 1.104 2.987
260 HE3 LYS 37 2HE LYS 37 16.349 1.027 3.877
261 HZ1 LYS 37 3HZ LYS 37 16.099 -0.266 1.369
262 HZ2 LYS 37 1HZ LYS 37 15.870 -0.897 2.921
263 HZ3 LYS 37 2HZ LYS 37 17.410 -0.909 2.223
264 HA PRO 38 HA PRO 38 21.775 5.146 0.610
265 HB2 PRO 38 1HB PRO 38 22.697 3.841 2.805
266 HB3 PRO 38 2HB PRO 38 22.457 5.592 2.759
267 HG2 PRO 38 1HG PRO 38 20.685 3.467 3.901
268 HG3 PRO 38 2HG PRO 38 21.118 5.048 4.580
269 HD2 PRO 38 1HD PRO 38 18.759 4.595 3.329
270 HD3 PRO 38 2HD PRO 38 19.581 6.168 3.277
271 H SER 39 H SER 39 21.100 3.661 -1.058
272 HA SER 39 HA SER 39 21.615 0.860 -0.324
273 HB2 SER 39 1HB SER 39 19.834 0.055 -1.634
274 HB3 SER 39 2HB SER 39 19.143 1.443 -0.794
275 HG SER 39 HG SER 39 18.892 2.415 -2.641
276 H GLY 40 H GLY 40 23.552 2.635 -1.255
277 HA2 GLY 40 1HA GLY 40 25.045 1.375 -3.031
278 HA3 GLY 40 2HA GLY 40 23.861 2.096 -4.111
279 HA PRO 41 HA PRO 41 26.113 5.847 -4.260
280 HB2 PRO 41 1HB PRO 41 24.171 7.744 -4.179
281 HB3 PRO 41 2HB PRO 41 24.445 6.708 -5.586
282 HG2 PRO 41 1HG PRO 41 22.403 6.449 -3.412
283 HG3 PRO 41 2HG PRO 41 22.209 6.232 -5.161
284 HD2 PRO 41 1HD PRO 41 22.472 4.147 -3.454
285 HD3 PRO 41 2HD PRO 41 23.083 4.100 -5.120
286 H SER 42 H SER 42 26.712 7.806 -3.116
287 HA SER 42 HA SER 42 26.581 7.445 -0.259
288 HB2 SER 42 1HB SER 42 28.683 8.131 -1.339
289 HB3 SER 42 2HB SER 42 27.914 9.617 -1.897
290 HG SER 42 HG SER 42 28.279 8.843 0.812
291 H SER 43 H SER 43 24.050 7.940 -1.246
292 HA SER 43 HA SER 43 22.217 9.284 -1.042
293 HB2 SER 43 1HB SER 43 23.891 9.991 1.351
294 HB3 SER 43 2HB SER 43 22.349 10.800 1.071
295 HG SER 43 HG SER 43 22.591 7.983 1.068
296 H GLY 44 H GLY 44 24.012 10.219 -2.947
297 HA2 GLY 44 1HA GLY 44 24.570 12.089 -4.159
298 HA3 GLY 44 2HA GLY 44 23.108 12.777 -3.469
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -2.741 -13.689 -8.023
2 HA2 GLY 1 1HA GLY 1 -3.560 -15.493 -6.689
3 HA3 GLY 1 2HA GLY 1 -3.189 -14.211 -5.545
4 H SER 2 H SER 2 -4.944 -12.802 -4.873
5 HA SER 2 HA SER 2 -7.491 -14.265 -4.815
6 HB2 SER 2 1HB SER 2 -6.313 -13.743 -2.643
7 HB3 SER 2 2HB SER 2 -6.619 -12.037 -2.966
8 HG SER 2 HG SER 2 -8.208 -13.228 -1.628
9 H SER 3 H SER 3 -8.964 -13.552 -6.196
10 HA SER 3 HA SER 3 -8.878 -11.177 -7.628
11 HB2 SER 3 1HB SER 3 -11.160 -13.028 -6.951
12 HB3 SER 3 2HB SER 3 -11.385 -11.609 -7.973
13 HG SER 3 HG SER 3 -10.717 -12.856 -9.519
14 H GLY 4 H GLY 4 -10.995 -11.929 -4.852
15 HA2 GLY 4 1HA GLY 4 -11.260 -10.378 -3.031
16 HA3 GLY 4 2HA GLY 4 -10.924 -9.069 -4.154
17 H SER 5 H SER 5 -13.295 -10.375 -2.377
18 HA SER 5 HA SER 5 -15.374 -9.456 -4.248
19 HB2 SER 5 1HB SER 5 -16.881 -11.195 -3.411
20 HB3 SER 5 2HB SER 5 -15.424 -11.920 -4.090
21 HG SER 5 HG SER 5 -14.990 -12.726 -2.205
22 H SER 6 H SER 6 -14.141 -7.817 -2.368
23 HA SER 6 HA SER 6 -16.257 -7.494 -0.341
24 HB2 SER 6 1HB SER 6 -14.567 -6.353 1.060
25 HB3 SER 6 2HB SER 6 -14.107 -8.016 0.697
26 HG SER 6 HG SER 6 -13.004 -5.615 -0.220
27 H GLY 7 H GLY 7 -13.980 -5.763 -2.445
28 HA2 GLY 7 1HA GLY 7 -15.876 -3.872 -3.299
29 HA3 GLY 7 2HA GLY 7 -14.950 -3.171 -1.980
30 H GLU 8 H GLU 8 -14.697 -1.790 -4.153
31 HA GLU 8 HA GLU 8 -12.118 -2.621 -5.308
32 HB2 GLU 8 1HB GLU 8 -14.486 -1.339 -6.657
33 HB3 GLU 8 2HB GLU 8 -12.870 -1.249 -7.341
34 HG2 GLU 8 1HG GLU 8 -12.765 -3.680 -7.446
35 HG3 GLU 8 2HG GLU 8 -14.375 -3.784 -6.736
36 H LYS 9 H LYS 9 -10.523 -1.115 -5.390
37 HA LYS 9 HA LYS 9 -11.150 1.525 -4.242
38 HB2 LYS 9 1HB LYS 9 -8.780 -0.286 -3.958
39 HB3 LYS 9 2HB LYS 9 -8.575 1.450 -3.759
40 HG2 LYS 9 1HG LYS 9 -9.838 1.518 -1.838
41 HG3 LYS 9 2HG LYS 9 -10.725 0.046 -2.243
42 HD2 LYS 9 1HD LYS 9 -8.696 -1.275 -1.837
43 HD3 LYS 9 2HD LYS 9 -7.826 0.202 -1.411
44 HE2 LYS 9 1HE LYS 9 -8.438 -0.654 0.656
45 HE3 LYS 9 2HE LYS 9 -9.705 0.528 0.331
46 HZ1 LYS 9 3HZ LYS 9 -11.256 -1.091 -0.017
47 HZ2 LYS 9 1HZ LYS 9 -10.288 -1.874 1.128
48 HZ3 LYS 9 2HZ LYS 9 -10.126 -2.248 -0.513
49 HA PRO 10 HA PRO 10 -10.022 2.930 -8.340
50 HB2 PRO 10 1HB PRO 10 -10.610 5.540 -7.876
51 HB3 PRO 10 2HB PRO 10 -11.846 4.322 -8.212
52 HG2 PRO 10 1HG PRO 10 -10.964 5.451 -5.583
53 HG3 PRO 10 2HG PRO 10 -12.606 5.117 -6.163
54 HD2 PRO 10 1HD PRO 10 -11.290 3.455 -4.478
55 HD3 PRO 10 2HD PRO 10 -12.453 2.867 -5.684
56 H TYR 11 H TYR 11 -8.403 3.198 -5.504
57 HA TYR 11 HA TYR 11 -6.278 4.818 -6.738
58 HB2 TYR 11 1HB TYR 11 -7.042 4.829 -3.811
59 HB3 TYR 11 2HB TYR 11 -5.718 5.734 -4.536
60 HD1 TYR 11 HD2 TYR 11 -9.395 5.437 -4.354
61 HD2 TYR 11 HD1 TYR 11 -6.104 7.805 -5.643
62 HE1 TYR 11 HE2 TYR 11 -10.922 7.316 -4.782
63 HE2 TYR 11 HE1 TYR 11 -7.622 9.692 -6.073
64 HH TYR 11 HH TYR 11 -9.958 10.114 -6.504
65 H SER 12 H SER 12 -4.729 3.409 -7.237
66 HA SER 12 HA SER 12 -3.860 1.518 -5.156
67 HB2 SER 12 1HB SER 12 -3.270 -0.064 -7.042
68 HB3 SER 12 2HB SER 12 -4.998 0.169 -6.774
69 HG SER 12 HG SER 12 -3.427 1.482 -8.742
70 H CYS 13 H CYS 13 -1.631 1.012 -5.133
71 HA CYS 13 HA CYS 13 0.033 3.183 -6.091
72 HB2 CYS 13 1HB CYS 13 0.371 2.418 -3.815
73 HB3 CYS 13 2HB CYS 13 0.656 0.773 -4.374
74 H ASN 14 H ASN 14 2.023 2.830 -7.253
75 HA ASN 14 HA ASN 14 1.884 0.490 -9.040
76 HB2 ASN 14 1HB ASN 14 3.133 3.149 -9.734
77 HB3 ASN 14 2HB ASN 14 2.731 1.825 -10.825
78 HD21 ASN 14 1HD2 ASN 14 1.421 4.370 -8.813
79 HD22 ASN 14 2HD2 ASN 14 -0.110 4.471 -9.606
80 H GLU 15 H GLU 15 3.965 2.611 -7.169
81 HA GLU 15 HA GLU 15 6.461 1.649 -7.922
82 HB2 GLU 15 1HB GLU 15 5.869 2.353 -5.066
83 HB3 GLU 15 2HB GLU 15 7.315 2.686 -6.010
84 HG2 GLU 15 1HG GLU 15 5.618 4.137 -7.424
85 HG3 GLU 15 2HG GLU 15 4.740 4.151 -5.896
86 H CYS 16 H CYS 16 4.817 0.738 -4.892
87 HA CYS 16 HA CYS 16 6.217 -1.834 -4.981
88 HB2 CYS 16 1HB CYS 16 5.835 -2.008 -2.642
89 HB3 CYS 16 2HB CYS 16 6.319 -0.340 -2.933
90 H GLY 17 H GLY 17 2.988 -0.431 -4.800
91 HA2 GLY 17 1HA GLY 17 1.199 -1.572 -5.991
92 HA3 GLY 17 2HA GLY 17 1.901 -3.094 -5.463
93 H LYS 18 H LYS 18 -0.609 -1.066 -4.969
94 HA LYS 18 HA LYS 18 -1.542 -2.408 -2.681
95 HB2 LYS 18 1HB LYS 18 0.244 -0.945 -1.651
96 HB3 LYS 18 2HB LYS 18 -0.725 0.445 -2.123
97 HG2 LYS 18 1HG LYS 18 -2.316 0.052 -0.542
98 HG3 LYS 18 2HG LYS 18 -2.042 -1.692 -0.539
99 HD2 LYS 18 1HD LYS 18 0.092 -1.334 0.632
100 HD3 LYS 18 2HD LYS 18 -0.228 0.401 0.661
101 HE2 LYS 18 1HE LYS 18 -2.048 0.147 2.126
102 HE3 LYS 18 2HE LYS 18 -2.150 -1.588 1.831
103 HZ1 LYS 18 3HZ LYS 18 0.058 -1.787 2.917
104 HZ2 LYS 18 1HZ LYS 18 -1.167 -1.250 3.954
105 HZ3 LYS 18 2HZ LYS 18 -0.038 -0.151 3.339
106 H ALA 19 H ALA 19 -3.497 -1.145 -1.706
107 HA ALA 19 HA ALA 19 -4.836 0.400 -3.820
108 HB1 ALA 19 3HB ALA 19 -6.150 -1.354 -4.226
109 HB2 ALA 19 1HB ALA 19 -5.575 -2.216 -2.799
110 HB3 ALA 19 2HB ALA 19 -6.881 -1.040 -2.653
111 H PHE 20 H PHE 20 -6.599 1.732 -3.074
112 HA PHE 20 HA PHE 20 -6.976 2.094 -0.236
113 HB2 PHE 20 1HB PHE 20 -5.677 4.271 -1.887
114 HB3 PHE 20 2HB PHE 20 -6.281 4.473 -0.246
115 HD1 PHE 20 HD1 PHE 20 -3.680 2.950 -2.329
116 HD2 PHE 20 HD2 PHE 20 -5.075 3.609 1.638
117 HE1 PHE 20 HE1 PHE 20 -1.502 2.222 -1.445
118 HE2 PHE 20 HE2 PHE 20 -2.899 2.883 2.528
119 HZ PHE 20 HZ PHE 20 -1.109 2.189 0.986
120 H THR 21 H THR 21 -8.869 3.140 0.251
121 HA THR 21 HA THR 21 -10.817 3.313 -1.817
122 HB THR 21 HB THR 21 -11.080 4.380 0.997
123 HG1 THR 21 HG1 THR 21 -11.565 2.345 1.630
124 HG21 THR 21 3HG2 THR 21 -13.037 3.560 -1.136
125 HG22 THR 21 1HG2 THR 21 -12.922 5.101 -0.288
126 HG23 THR 21 2HG2 THR 21 -13.492 3.666 0.564
127 H PHE 22 H PHE 22 -9.140 5.728 0.172
128 HA PHE 22 HA PHE 22 -10.170 7.821 -1.625
129 HB2 PHE 22 1HB PHE 22 -9.516 7.781 1.283
130 HB3 PHE 22 2HB PHE 22 -9.246 9.280 0.401
131 HD1 PHE 22 HD2 PHE 22 -11.837 6.718 1.116
132 HD2 PHE 22 HD1 PHE 22 -11.005 10.742 0.005
133 HE1 PHE 22 HE2 PHE 22 -14.225 7.268 1.331
134 HE2 PHE 22 HE1 PHE 22 -13.392 11.299 0.219
135 HZ PHE 22 HZ PHE 22 -15.006 9.560 0.882
136 H LYS 23 H LYS 23 -8.703 9.594 -2.134
137 HA LYS 23 HA LYS 23 -6.219 8.672 -3.099
138 HB2 LYS 23 1HB LYS 23 -7.288 10.463 -4.253
139 HB3 LYS 23 2HB LYS 23 -7.376 11.440 -2.793
140 HG2 LYS 23 1HG LYS 23 -5.038 11.838 -2.814
141 HG3 LYS 23 2HG LYS 23 -4.780 10.631 -4.076
142 HD2 LYS 23 1HD LYS 23 -6.629 12.883 -4.661
143 HD3 LYS 23 2HD LYS 23 -4.898 13.226 -4.616
144 HE2 LYS 23 1HE LYS 23 -4.471 11.575 -6.306
145 HE3 LYS 23 2HE LYS 23 -6.145 11.025 -6.257
146 HZ1 LYS 23 3HZ LYS 23 -6.196 13.756 -6.767
147 HZ2 LYS 23 1HZ LYS 23 -6.601 12.499 -7.824
148 HZ3 LYS 23 2HZ LYS 23 -5.021 13.100 -7.792
149 H SER 24 H SER 24 -6.920 11.055 -0.536
150 HA SER 24 HA SER 24 -4.442 11.642 0.370
151 HB2 SER 24 1HB SER 24 -5.427 11.885 2.641
152 HB3 SER 24 2HB SER 24 -6.435 12.600 1.383
153 HG SER 24 HG SER 24 -6.806 10.110 2.688
154 H GLN 25 H GLN 25 -6.296 8.745 1.255
155 HA GLN 25 HA GLN 25 -4.488 7.631 3.051
156 HB2 GLN 25 1HB GLN 25 -6.318 6.189 1.125
157 HB3 GLN 25 2HB GLN 25 -5.564 5.476 2.545
158 HG2 GLN 25 1HG GLN 25 -6.788 7.090 3.958
159 HG3 GLN 25 2HG GLN 25 -7.603 7.688 2.513
160 HE21 GLN 25 1HE2 GLN 25 -8.400 6.160 5.050
161 HE22 GLN 25 2HE2 GLN 25 -9.396 4.882 4.449
162 H LEU 26 H LEU 26 -4.548 7.543 -0.461
163 HA LEU 26 HA LEU 26 -2.430 5.622 -0.684
164 HB2 LEU 26 1HB LEU 26 -4.010 5.754 -2.462
165 HB3 LEU 26 2HB LEU 26 -3.732 7.483 -2.658
166 HG LEU 26 HG LEU 26 -1.467 7.005 -3.495
167 HD11 LEU 26 1HD1 LEU 26 -2.020 4.153 -3.919
168 HD12 LEU 26 2HD1 LEU 26 -1.696 4.612 -2.248
169 HD13 LEU 26 3HD1 LEU 26 -0.514 4.973 -3.506
170 HD21 LEU 26 3HD2 LEU 26 -2.382 7.004 -5.516
171 HD22 LEU 26 1HD2 LEU 26 -3.927 6.557 -4.793
172 HD23 LEU 26 2HD2 LEU 26 -2.820 5.303 -5.352
173 H ILE 27 H ILE 27 -2.689 9.133 -0.780
174 HA ILE 27 HA ILE 27 -0.128 9.753 -1.694
175 HB ILE 27 HB ILE 27 -1.610 11.355 0.384
176 HG12 ILE 27 1HG1 ILE 27 -3.232 10.891 -1.311
177 HG13 ILE 27 2HG1 ILE 27 -2.640 12.523 -1.604
178 HG21 ILE 27 1HG2 ILE 27 -0.457 13.228 -0.489
179 HG22 ILE 27 2HG2 ILE 27 0.748 11.960 -0.272
180 HG23 ILE 27 3HG2 ILE 27 0.120 12.313 -1.881
181 HD11 ILE 27 3HD1 ILE 27 -1.168 11.656 -3.358
182 HD12 ILE 27 1HD1 ILE 27 -1.808 10.036 -3.079
183 HD13 ILE 27 2HD1 ILE 27 -2.867 11.312 -3.680
184 H VAL 28 H VAL 28 -1.287 9.075 1.579
185 HA VAL 28 HA VAL 28 1.133 9.672 2.913
186 HB VAL 28 HB VAL 28 -1.020 7.741 3.788
187 HG11 VAL 28 1HG1 VAL 28 -0.192 8.484 6.075
188 HG12 VAL 28 2HG1 VAL 28 0.863 7.406 5.159
189 HG13 VAL 28 3HG1 VAL 28 1.216 9.132 5.235
190 HG21 VAL 28 3HG2 VAL 28 -0.941 10.673 3.638
191 HG22 VAL 28 1HG2 VAL 28 -2.319 9.575 3.728
192 HG23 VAL 28 2HG2 VAL 28 -1.450 10.024 5.196
193 H HIS 29 H HIS 29 -0.234 6.626 1.705
194 HA HIS 29 HA HIS 29 1.897 4.988 2.596
195 HB2 HIS 29 1HB HIS 29 -0.007 3.758 2.140
196 HB3 HIS 29 2HB HIS 29 -0.369 4.663 0.673
197 HD1 HIS 29 HD1 HIS 29 1.408 1.668 1.913
198 HD2 HIS 29 HD2 HIS 29 1.095 3.822 -1.625
199 HE1 HIS 29 HE1 HIS 29 2.369 0.176 0.131
200 H LYS 30 H LYS 30 1.454 7.016 -0.176
201 HA LYS 30 HA LYS 30 3.470 5.811 -1.805
202 HB2 LYS 30 1HB LYS 30 1.937 8.387 -1.893
203 HB3 LYS 30 2HB LYS 30 3.315 8.149 -2.958
204 HG2 LYS 30 1HG LYS 30 2.150 5.975 -3.658
205 HG3 LYS 30 2HG LYS 30 0.717 6.662 -2.890
206 HD2 LYS 30 1HD LYS 30 0.820 8.592 -4.349
207 HD3 LYS 30 2HD LYS 30 2.322 8.004 -5.066
208 HE2 LYS 30 1HE LYS 30 -0.242 6.432 -5.139
209 HE3 LYS 30 2HE LYS 30 0.193 7.599 -6.387
210 HZ1 LYS 30 3HZ LYS 30 2.421 6.082 -6.168
211 HZ2 LYS 30 1HZ LYS 30 1.218 5.881 -7.341
212 HZ3 LYS 30 2HZ LYS 30 1.193 4.942 -5.935
213 H GLY 31 H GLY 31 3.414 8.302 0.650
214 HA2 GLY 31 1HA GLY 31 5.772 9.652 0.180
215 HA3 GLY 31 2HA GLY 31 5.131 9.325 1.784
216 H VAL 32 H VAL 32 5.346 6.483 1.677
217 HA VAL 32 HA VAL 32 7.843 6.050 2.742
218 HB VAL 32 HB VAL 32 7.435 3.736 2.635
219 HG11 VAL 32 1HG1 VAL 32 5.616 5.358 3.689
220 HG12 VAL 32 2HG1 VAL 32 4.593 4.576 2.482
221 HG13 VAL 32 3HG1 VAL 32 5.426 3.605 3.697
222 HG21 VAL 32 3HG2 VAL 32 5.582 2.881 1.050
223 HG22 VAL 32 1HG2 VAL 32 5.857 4.388 0.175
224 HG23 VAL 32 2HG2 VAL 32 7.174 3.234 0.379
225 H HIS 33 H HIS 33 6.858 5.960 -0.622
226 HA HIS 33 HA HIS 33 9.468 4.995 -1.476
227 HB2 HIS 33 1HB HIS 33 7.331 5.920 -3.364
228 HB3 HIS 33 2HB HIS 33 8.536 4.655 -3.583
229 HD1 HIS 33 HD1 HIS 33 8.098 2.570 -1.711
230 HD2 HIS 33 HD2 HIS 33 4.881 4.877 -2.972
231 HE1 HIS 33 HE1 HIS 33 6.051 1.192 -1.226
232 H THR 34 H THR 34 7.408 7.836 -2.101
233 HA THR 34 HA THR 34 9.648 9.289 -3.225
234 HB THR 34 HB THR 34 7.363 9.530 -4.170
235 HG1 THR 34 HG1 THR 34 8.734 11.227 -4.585
236 HG21 THR 34 3HG2 THR 34 5.749 9.598 -2.583
237 HG22 THR 34 1HG2 THR 34 6.045 11.335 -2.661
238 HG23 THR 34 2HG2 THR 34 6.801 10.367 -1.394
239 H GLY 35 H GLY 35 10.162 8.585 -0.592
240 HA2 GLY 35 1HA GLY 35 9.866 11.151 0.842
241 HA3 GLY 35 2HA GLY 35 10.021 9.590 1.636
242 H VAL 36 H VAL 36 11.872 9.725 2.749
243 HA VAL 36 HA VAL 36 14.153 11.174 1.883
244 HB VAL 36 HB VAL 36 15.320 10.149 3.766
245 HG11 VAL 36 1HG1 VAL 36 13.033 11.751 3.901
246 HG12 VAL 36 2HG1 VAL 36 12.863 10.573 5.203
247 HG13 VAL 36 3HG1 VAL 36 14.301 11.591 5.115
248 HG21 VAL 36 3HG2 VAL 36 14.307 8.460 5.152
249 HG22 VAL 36 1HG2 VAL 36 12.841 8.481 4.172
250 HG23 VAL 36 2HG2 VAL 36 14.351 7.880 3.487
251 H LYS 37 H LYS 37 16.108 10.462 1.060
252 HA LYS 37 HA LYS 37 16.546 7.675 0.466
253 HB2 LYS 37 1HB LYS 37 15.040 8.785 -1.383
254 HB3 LYS 37 2HB LYS 37 16.565 9.472 -1.927
255 HG2 LYS 37 1HG LYS 37 17.464 7.106 -1.957
256 HG3 LYS 37 2HG LYS 37 15.793 6.576 -1.751
257 HD2 LYS 37 1HD LYS 37 16.430 8.522 -3.918
258 HD3 LYS 37 2HD LYS 37 16.853 6.824 -4.147
259 HE2 LYS 37 1HE LYS 37 14.105 7.700 -3.300
260 HE3 LYS 37 2HE LYS 37 14.573 7.576 -4.995
261 HZ1 LYS 37 3HZ LYS 37 14.233 5.442 -3.004
262 HZ2 LYS 37 1HZ LYS 37 15.314 5.208 -4.284
263 HZ3 LYS 37 2HZ LYS 37 13.682 5.517 -4.602
264 HA PRO 38 HA PRO 38 20.620 9.310 1.150
265 HB2 PRO 38 1HB PRO 38 21.945 6.967 0.800
266 HB3 PRO 38 2HB PRO 38 21.044 7.350 2.272
267 HG2 PRO 38 1HG PRO 38 20.222 5.679 -0.072
268 HG3 PRO 38 2HG PRO 38 19.996 5.367 1.659
269 HD2 PRO 38 1HD PRO 38 18.017 6.330 0.080
270 HD3 PRO 38 2HD PRO 38 18.163 6.757 1.797
271 H SER 39 H SER 39 22.647 9.498 -0.019
272 HA SER 39 HA SER 39 22.206 9.736 -2.863
273 HB2 SER 39 1HB SER 39 24.369 10.582 -0.968
274 HB3 SER 39 2HB SER 39 24.698 10.548 -2.700
275 HG SER 39 HG SER 39 22.487 11.767 -2.640
276 H GLY 40 H GLY 40 24.775 8.213 -0.900
277 HA2 GLY 40 1HA GLY 40 25.895 6.222 -1.205
278 HA3 GLY 40 2HA GLY 40 24.693 5.792 -2.413
279 HA PRO 41 HA PRO 41 28.915 7.096 -4.258
280 HB2 PRO 41 1HB PRO 41 30.019 4.645 -4.637
281 HB3 PRO 41 2HB PRO 41 30.280 5.600 -3.172
282 HG2 PRO 41 1HG PRO 41 28.385 3.330 -3.642
283 HG3 PRO 41 2HG PRO 41 29.420 3.652 -2.238
284 HD2 PRO 41 1HD PRO 41 26.775 4.229 -2.260
285 HD3 PRO 41 2HD PRO 41 27.955 5.196 -1.353
286 H SER 42 H SER 42 27.099 4.106 -4.954
287 HA SER 42 HA SER 42 26.213 3.269 -6.874
288 HB2 SER 42 1HB SER 42 25.311 5.752 -6.821
289 HB3 SER 42 2HB SER 42 26.373 5.938 -8.217
290 HG SER 42 HG SER 42 24.519 5.262 -9.101
291 H SER 43 H SER 43 28.934 2.969 -6.598
292 HA SER 43 HA SER 43 30.124 3.631 -9.183
293 HB2 SER 43 1HB SER 43 31.269 3.809 -6.814
294 HB3 SER 43 2HB SER 43 31.579 2.091 -7.068
295 HG SER 43 HG SER 43 33.090 3.926 -7.912
296 H GLY 44 H GLY 44 30.399 2.199 -10.782
297 HA2 GLY 44 1HA GLY 44 29.255 -0.439 -10.488
298 HA3 GLY 44 2HA GLY 44 29.890 0.267 -11.967
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -10.930 0.531 15.217
2 HA2 GLY 1 1HA GLY 1 -10.946 1.659 13.082
3 HA3 GLY 1 2HA GLY 1 -9.222 1.341 12.955
4 H SER 2 H SER 2 -12.356 0.234 12.223
5 HA SER 2 HA SER 2 -11.530 -2.486 11.640
6 HB2 SER 2 1HB SER 2 -13.891 -2.748 10.857
7 HB3 SER 2 2HB SER 2 -13.762 -2.187 12.524
8 HG SER 2 HG SER 2 -15.297 -0.970 11.372
9 H SER 3 H SER 3 -10.269 -2.717 9.902
10 HA SER 3 HA SER 3 -10.777 -1.102 7.518
11 HB2 SER 3 1HB SER 3 -8.602 -1.716 6.778
12 HB3 SER 3 2HB SER 3 -8.444 -1.400 8.505
13 HG SER 3 HG SER 3 -8.960 -3.864 8.517
14 H GLY 4 H GLY 4 -11.846 -1.878 5.823
15 HA2 GLY 4 1HA GLY 4 -11.940 -3.767 4.201
16 HA3 GLY 4 2HA GLY 4 -12.140 -4.811 5.600
17 H SER 5 H SER 5 -13.646 -1.859 4.275
18 HA SER 5 HA SER 5 -16.265 -3.131 4.724
19 HB2 SER 5 1HB SER 5 -17.078 -0.701 5.070
20 HB3 SER 5 2HB SER 5 -16.204 -1.475 6.391
21 HG SER 5 HG SER 5 -14.282 -0.433 5.368
22 H SER 6 H SER 6 -14.251 -1.099 2.731
23 HA SER 6 HA SER 6 -16.372 -0.667 0.786
24 HB2 SER 6 1HB SER 6 -14.786 0.746 -0.376
25 HB3 SER 6 2HB SER 6 -14.736 1.141 1.342
26 HG SER 6 HG SER 6 -12.915 -0.445 1.372
27 H GLY 7 H GLY 7 -15.547 -0.928 -1.608
28 HA2 GLY 7 1HA GLY 7 -14.489 -3.678 -1.820
29 HA3 GLY 7 2HA GLY 7 -15.686 -2.998 -2.911
30 H GLU 8 H GLU 8 -15.009 -2.057 -4.742
31 HA GLU 8 HA GLU 8 -12.327 -2.292 -5.558
32 HB2 GLU 8 1HB GLU 8 -14.721 -0.879 -6.697
33 HB3 GLU 8 2HB GLU 8 -13.142 -0.723 -7.452
34 HG2 GLU 8 1HG GLU 8 -13.038 -3.025 -7.946
35 HG3 GLU 8 2HG GLU 8 -14.408 -3.386 -6.898
36 H LYS 9 H LYS 9 -10.635 -0.931 -5.506
37 HA LYS 9 HA LYS 9 -11.071 1.715 -4.288
38 HB2 LYS 9 1HB LYS 9 -8.819 -0.256 -4.103
39 HB3 LYS 9 2HB LYS 9 -8.510 1.454 -3.828
40 HG2 LYS 9 1HG LYS 9 -9.800 1.514 -1.909
41 HG3 LYS 9 2HG LYS 9 -10.709 0.067 -2.354
42 HD2 LYS 9 1HD LYS 9 -8.669 -1.281 -2.017
43 HD3 LYS 9 2HD LYS 9 -7.816 0.175 -1.500
44 HE2 LYS 9 1HE LYS 9 -9.253 0.418 0.399
45 HE3 LYS 9 2HE LYS 9 -10.308 -0.875 -0.170
46 HZ1 LYS 9 3HZ LYS 9 -8.750 -1.542 1.621
47 HZ2 LYS 9 1HZ LYS 9 -7.460 -1.272 0.560
48 HZ3 LYS 9 2HZ LYS 9 -8.602 -2.470 0.214
49 HA PRO 10 HA PRO 10 -9.894 3.094 -8.400
50 HB2 PRO 10 1HB PRO 10 -10.498 5.701 -7.948
51 HB3 PRO 10 2HB PRO 10 -11.722 4.483 -8.321
52 HG2 PRO 10 1HG PRO 10 -10.916 5.608 -5.666
53 HG3 PRO 10 2HG PRO 10 -12.541 5.273 -6.293
54 HD2 PRO 10 1HD PRO 10 -11.271 3.609 -4.575
55 HD3 PRO 10 2HD PRO 10 -12.399 3.023 -5.814
56 H TYR 11 H TYR 11 -8.348 3.345 -5.527
57 HA TYR 11 HA TYR 11 -6.188 4.963 -6.700
58 HB2 TYR 11 1HB TYR 11 -7.048 5.005 -3.799
59 HB3 TYR 11 2HB TYR 11 -5.698 5.900 -4.489
60 HD1 TYR 11 HD2 TYR 11 -9.377 5.621 -4.403
61 HD2 TYR 11 HD1 TYR 11 -6.044 7.952 -5.652
62 HE1 TYR 11 HE2 TYR 11 -10.885 7.500 -4.899
63 HE2 TYR 11 HE1 TYR 11 -7.543 9.838 -6.152
64 HH TYR 11 HH TYR 11 -10.990 9.497 -6.141
65 H SER 12 H SER 12 -4.573 3.606 -7.092
66 HA SER 12 HA SER 12 -3.828 1.681 -4.993
67 HB2 SER 12 1HB SER 12 -3.081 0.157 -6.882
68 HB3 SER 12 2HB SER 12 -4.825 0.342 -6.698
69 HG SER 12 HG SER 12 -3.419 0.766 -8.858
70 H CYS 13 H CYS 13 -1.552 0.985 -5.112
71 HA CYS 13 HA CYS 13 0.146 3.271 -5.695
72 HB2 CYS 13 1HB CYS 13 0.473 2.271 -3.540
73 HB3 CYS 13 2HB CYS 13 0.642 0.668 -4.247
74 H ASN 14 H ASN 14 2.255 2.946 -6.747
75 HA ASN 14 HA ASN 14 2.096 0.914 -8.876
76 HB2 ASN 14 1HB ASN 14 3.517 3.553 -9.175
77 HB3 ASN 14 2HB ASN 14 2.993 2.442 -10.437
78 HD21 ASN 14 1HD2 ASN 14 2.406 5.135 -10.506
79 HD22 ASN 14 2HD2 ASN 14 0.703 5.350 -10.306
80 H GLU 15 H GLU 15 4.140 2.638 -6.610
81 HA GLU 15 HA GLU 15 6.633 1.645 -7.416
82 HB2 GLU 15 1HB GLU 15 5.845 2.247 -4.567
83 HB3 GLU 15 2HB GLU 15 7.450 2.335 -5.278
84 HG2 GLU 15 1HG GLU 15 5.368 4.042 -6.490
85 HG3 GLU 15 2HG GLU 15 5.911 4.473 -4.870
86 H CYS 16 H CYS 16 4.943 0.603 -4.461
87 HA CYS 16 HA CYS 16 6.117 -2.061 -4.814
88 HB2 CYS 16 1HB CYS 16 5.711 -2.408 -2.463
89 HB3 CYS 16 2HB CYS 16 6.492 -0.842 -2.666
90 H GLY 17 H GLY 17 3.189 -0.393 -5.164
91 HA2 GLY 17 1HA GLY 17 1.228 -1.270 -6.091
92 HA3 GLY 17 2HA GLY 17 1.804 -2.889 -5.720
93 H LYS 18 H LYS 18 -0.636 -0.938 -5.086
94 HA LYS 18 HA LYS 18 -1.509 -2.336 -2.807
95 HB2 LYS 18 1HB LYS 18 0.254 -0.844 -1.778
96 HB3 LYS 18 2HB LYS 18 -0.756 0.528 -2.216
97 HG2 LYS 18 1HG LYS 18 -2.303 0.084 -0.613
98 HG3 LYS 18 2HG LYS 18 -2.015 -1.657 -0.658
99 HD2 LYS 18 1HD LYS 18 0.280 -1.090 0.362
100 HD3 LYS 18 2HD LYS 18 -0.435 0.480 0.737
101 HE2 LYS 18 1HE LYS 18 -0.781 -0.799 2.667
102 HE3 LYS 18 2HE LYS 18 -2.330 -0.844 1.826
103 HZ1 LYS 18 3HZ LYS 18 -0.262 -2.975 1.798
104 HZ2 LYS 18 1HZ LYS 18 -1.711 -3.016 0.925
105 HZ3 LYS 18 2HZ LYS 18 -1.741 -3.029 2.616
106 H ALA 19 H ALA 19 -3.480 -1.128 -1.787
107 HA ALA 19 HA ALA 19 -4.896 0.362 -3.895
108 HB1 ALA 19 3HB ALA 19 -5.795 -2.070 -2.405
109 HB2 ALA 19 1HB ALA 19 -6.974 -0.905 -3.008
110 HB3 ALA 19 2HB ALA 19 -5.883 -1.718 -4.131
111 H PHE 20 H PHE 20 -6.642 1.707 -3.140
112 HA PHE 20 HA PHE 20 -6.945 2.167 -0.311
113 HB2 PHE 20 1HB PHE 20 -5.645 4.258 -2.067
114 HB3 PHE 20 2HB PHE 20 -6.270 4.567 -0.450
115 HD1 PHE 20 HD2 PHE 20 -5.172 3.597 1.512
116 HD2 PHE 20 HD1 PHE 20 -3.577 3.117 -2.405
117 HE1 PHE 20 HE2 PHE 20 -3.014 2.913 2.478
118 HE2 PHE 20 HE1 PHE 20 -1.417 2.432 -1.446
119 HZ PHE 20 HZ PHE 20 -1.133 2.331 0.998
120 H THR 21 H THR 21 -8.844 3.178 0.180
121 HA THR 21 HA THR 21 -10.773 3.406 -1.935
122 HB THR 21 HB THR 21 -11.174 4.215 0.944
123 HG1 THR 21 HG1 THR 21 -11.432 1.635 -0.247
124 HG21 THR 21 3HG2 THR 21 -13.365 2.899 -0.414
125 HG22 THR 21 1HG2 THR 21 -12.840 4.339 -1.286
126 HG23 THR 21 2HG2 THR 21 -13.327 4.460 0.405
127 H PHE 22 H PHE 22 -8.990 5.626 0.130
128 HA PHE 22 HA PHE 22 -10.161 7.875 -1.372
129 HB2 PHE 22 1HB PHE 22 -9.351 7.595 1.493
130 HB3 PHE 22 2HB PHE 22 -9.226 9.175 0.726
131 HD1 PHE 22 HD2 PHE 22 -11.715 6.390 0.789
132 HD2 PHE 22 HD1 PHE 22 -10.985 10.568 1.151
133 HE1 PHE 22 HE2 PHE 22 -14.112 6.771 1.192
134 HE2 PHE 22 HE1 PHE 22 -13.381 10.955 1.555
135 HZ PHE 22 HZ PHE 22 -14.948 9.055 1.575
136 H LYS 23 H LYS 23 -8.792 9.531 -2.080
137 HA LYS 23 HA LYS 23 -6.318 8.776 -3.089
138 HB2 LYS 23 1HB LYS 23 -7.632 10.668 -3.953
139 HB3 LYS 23 2HB LYS 23 -7.296 11.574 -2.484
140 HG2 LYS 23 1HG LYS 23 -5.145 12.025 -3.084
141 HG3 LYS 23 2HG LYS 23 -4.988 10.555 -4.048
142 HD2 LYS 23 1HD LYS 23 -6.826 11.778 -5.520
143 HD3 LYS 23 2HD LYS 23 -6.103 13.210 -4.786
144 HE2 LYS 23 1HE LYS 23 -4.776 13.007 -6.634
145 HE3 LYS 23 2HE LYS 23 -3.861 12.016 -5.499
146 HZ1 LYS 23 3HZ LYS 23 -4.287 11.046 -7.779
147 HZ2 LYS 23 1HZ LYS 23 -5.899 10.856 -7.303
148 HZ3 LYS 23 2HZ LYS 23 -4.669 10.058 -6.461
149 H SER 24 H SER 24 -6.872 11.089 -0.425
150 HA SER 24 HA SER 24 -4.359 11.572 0.420
151 HB2 SER 24 1HB SER 24 -5.257 11.765 2.732
152 HB3 SER 24 2HB SER 24 -6.290 12.545 1.535
153 HG SER 24 HG SER 24 -7.182 10.970 3.247
154 H GLN 25 H GLN 25 -6.269 8.731 1.394
155 HA GLN 25 HA GLN 25 -4.433 7.509 3.054
156 HB2 GLN 25 1HB GLN 25 -6.342 6.165 1.133
157 HB3 GLN 25 2HB GLN 25 -5.565 5.391 2.508
158 HG2 GLN 25 1HG GLN 25 -6.710 7.032 3.990
159 HG3 GLN 25 2HG GLN 25 -7.589 7.613 2.577
160 HE21 GLN 25 1HE2 GLN 25 -6.867 4.631 4.346
161 HE22 GLN 25 2HE2 GLN 25 -8.418 3.908 4.108
162 H LEU 26 H LEU 26 -4.611 7.474 -0.462
163 HA LEU 26 HA LEU 26 -2.518 5.543 -0.780
164 HB2 LEU 26 1HB LEU 26 -4.125 5.696 -2.516
165 HB3 LEU 26 2HB LEU 26 -3.891 7.436 -2.671
166 HG LEU 26 HG LEU 26 -1.633 7.019 -3.580
167 HD11 LEU 26 1HD1 LEU 26 -1.849 4.554 -2.444
168 HD12 LEU 26 2HD1 LEU 26 -0.665 5.002 -3.671
169 HD13 LEU 26 3HD1 LEU 26 -2.160 4.195 -4.143
170 HD21 LEU 26 3HD2 LEU 26 -4.008 6.908 -4.866
171 HD22 LEU 26 1HD2 LEU 26 -3.313 5.354 -5.329
172 HD23 LEU 26 2HD2 LEU 26 -2.440 6.848 -5.673
173 H ILE 27 H ILE 27 -2.738 9.055 -0.790
174 HA ILE 27 HA ILE 27 -0.176 9.636 -1.768
175 HB ILE 27 HB ILE 27 -1.572 11.298 0.317
176 HG12 ILE 27 1HG1 ILE 27 -3.318 10.868 -1.217
177 HG13 ILE 27 2HG1 ILE 27 -2.655 12.421 -1.712
178 HG21 ILE 27 1HG2 ILE 27 0.254 12.531 -0.089
179 HG22 ILE 27 2HG2 ILE 27 0.625 11.665 -1.579
180 HG23 ILE 27 3HG2 ILE 27 -0.563 12.969 -1.589
181 HD11 ILE 27 3HD1 ILE 27 -1.328 11.235 -3.438
182 HD12 ILE 27 1HD1 ILE 27 -2.163 9.747 -2.993
183 HD13 ILE 27 2HD1 ILE 27 -3.073 11.104 -3.657
184 H VAL 28 H VAL 28 -1.324 9.004 1.517
185 HA VAL 28 HA VAL 28 1.095 9.595 2.845
186 HB VAL 28 HB VAL 28 -1.048 7.653 3.717
187 HG11 VAL 28 1HG1 VAL 28 -0.208 8.435 6.007
188 HG12 VAL 28 2HG1 VAL 28 0.800 7.301 5.107
189 HG13 VAL 28 3HG1 VAL 28 1.214 9.015 5.141
190 HG21 VAL 28 3HG2 VAL 28 -0.986 10.581 3.565
191 HG22 VAL 28 1HG2 VAL 28 -2.357 9.477 3.681
192 HG23 VAL 28 2HG2 VAL 28 -1.470 9.938 5.134
193 H HIS 29 H HIS 29 -0.230 6.575 1.551
194 HA HIS 29 HA HIS 29 1.913 4.940 2.460
195 HB2 HIS 29 1HB HIS 29 0.005 3.703 2.022
196 HB3 HIS 29 2HB HIS 29 -0.362 4.594 0.548
197 HD1 HIS 29 HD1 HIS 29 1.449 1.626 1.813
198 HD2 HIS 29 HD2 HIS 29 1.088 3.736 -1.748
199 HE1 HIS 29 HE1 HIS 29 2.413 0.124 0.042
200 H LYS 30 H LYS 30 1.338 6.846 -0.408
201 HA LYS 30 HA LYS 30 3.392 5.697 -2.004
202 HB2 LYS 30 1HB LYS 30 1.803 8.240 -2.130
203 HB3 LYS 30 2HB LYS 30 3.162 7.990 -3.218
204 HG2 LYS 30 1HG LYS 30 1.996 5.761 -3.793
205 HG3 LYS 30 2HG LYS 30 0.571 6.505 -3.064
206 HD2 LYS 30 1HD LYS 30 0.606 8.294 -4.642
207 HD3 LYS 30 2HD LYS 30 2.187 7.801 -5.253
208 HE2 LYS 30 1HE LYS 30 1.323 5.986 -6.395
209 HE3 LYS 30 2HE LYS 30 -0.111 5.895 -5.374
210 HZ1 LYS 30 3HZ LYS 30 -0.690 8.144 -6.415
211 HZ2 LYS 30 1HZ LYS 30 -0.896 6.756 -7.361
212 HZ3 LYS 30 2HZ LYS 30 0.452 7.749 -7.598
213 H GLY 31 H GLY 31 3.317 8.152 0.463
214 HA2 GLY 31 1HA GLY 31 5.665 9.547 -0.107
215 HA3 GLY 31 2HA GLY 31 4.995 9.322 1.502
216 H VAL 32 H VAL 32 5.230 6.356 1.207
217 HA VAL 32 HA VAL 32 7.717 6.028 2.464
218 HB VAL 32 HB VAL 32 7.324 3.684 2.415
219 HG11 VAL 32 1HG1 VAL 32 5.503 5.453 3.408
220 HG12 VAL 32 2HG1 VAL 32 4.482 4.389 2.440
221 HG13 VAL 32 3HG1 VAL 32 5.498 3.717 3.716
222 HG21 VAL 32 3HG2 VAL 32 5.702 4.321 -0.004
223 HG22 VAL 32 1HG2 VAL 32 6.891 3.044 0.253
224 HG23 VAL 32 2HG2 VAL 32 5.281 2.904 0.958
225 H HIS 33 H HIS 33 6.811 6.032 -0.879
226 HA HIS 33 HA HIS 33 9.409 4.938 -1.676
227 HB2 HIS 33 1HB HIS 33 7.212 5.716 -3.575
228 HB3 HIS 33 2HB HIS 33 8.498 4.535 -3.803
229 HD1 HIS 33 HD1 HIS 33 8.254 2.395 -2.028
230 HD2 HIS 33 HD2 HIS 33 4.844 4.571 -2.974
231 HE1 HIS 33 HE1 HIS 33 6.319 0.901 -1.440
232 H THR 34 H THR 34 7.305 7.623 -2.728
233 HA THR 34 HA THR 34 9.246 9.070 -4.088
234 HB THR 34 HB THR 34 6.851 9.576 -4.263
235 HG1 THR 34 HG1 THR 34 8.273 11.230 -4.859
236 HG21 THR 34 3HG2 THR 34 5.704 9.628 -2.335
237 HG22 THR 34 1HG2 THR 34 6.274 11.291 -2.196
238 HG23 THR 34 2HG2 THR 34 7.145 9.989 -1.385
239 H GLY 35 H GLY 35 8.674 8.772 -0.681
240 HA2 GLY 35 1HA GLY 35 9.827 11.108 0.298
241 HA3 GLY 35 2HA GLY 35 9.836 9.561 1.133
242 H VAL 36 H VAL 36 11.497 7.962 0.107
243 HA VAL 36 HA VAL 36 14.013 8.598 0.741
244 HB VAL 36 HB VAL 36 13.217 6.372 -0.136
245 HG11 VAL 36 1HG1 VAL 36 14.168 7.096 -2.841
246 HG12 VAL 36 2HG1 VAL 36 12.929 5.942 -2.343
247 HG13 VAL 36 3HG1 VAL 36 12.563 7.668 -2.385
248 HG21 VAL 36 3HG2 VAL 36 15.850 7.405 -1.188
249 HG22 VAL 36 1HG2 VAL 36 15.552 6.782 0.435
250 HG23 VAL 36 2HG2 VAL 36 15.426 5.708 -0.958
251 H LYS 37 H LYS 37 15.850 9.483 -0.198
252 HA LYS 37 HA LYS 37 15.404 11.053 -2.652
253 HB2 LYS 37 1HB LYS 37 17.038 11.872 -0.243
254 HB3 LYS 37 2HB LYS 37 16.849 12.804 -1.722
255 HG2 LYS 37 1HG LYS 37 14.735 13.469 -1.202
256 HG3 LYS 37 2HG LYS 37 14.392 12.019 -0.256
257 HD2 LYS 37 1HD LYS 37 16.443 13.964 0.713
258 HD3 LYS 37 2HD LYS 37 14.729 14.322 0.936
259 HE2 LYS 37 1HE LYS 37 14.409 12.543 2.367
260 HE3 LYS 37 2HE LYS 37 15.780 11.642 1.722
261 HZ1 LYS 37 3HZ LYS 37 16.855 12.362 3.518
262 HZ2 LYS 37 1HZ LYS 37 15.692 13.539 3.872
263 HZ3 LYS 37 2HZ LYS 37 16.922 13.873 2.760
264 HA PRO 38 HA PRO 38 18.923 8.918 -4.233
265 HB2 PRO 38 1HB PRO 38 19.523 10.605 -6.275
266 HB3 PRO 38 2HB PRO 38 18.144 9.500 -6.315
267 HG2 PRO 38 1HG PRO 38 18.212 12.422 -5.668
268 HG3 PRO 38 2HG PRO 38 17.052 11.523 -6.665
269 HD2 PRO 38 1HD PRO 38 16.526 12.240 -4.107
270 HD3 PRO 38 2HD PRO 38 15.883 10.753 -4.834
271 H SER 39 H SER 39 21.220 9.510 -5.013
272 HA SER 39 HA SER 39 22.360 11.393 -3.063
273 HB2 SER 39 1HB SER 39 23.437 8.886 -4.338
274 HB3 SER 39 2HB SER 39 24.512 10.062 -3.582
275 HG SER 39 HG SER 39 24.027 9.061 -1.805
276 H GLY 40 H GLY 40 21.981 13.210 -4.449
277 HA2 GLY 40 1HA GLY 40 23.658 13.275 -6.872
278 HA3 GLY 40 2HA GLY 40 22.291 14.335 -6.560
279 HA PRO 41 HA PRO 41 26.530 16.023 -4.997
280 HB2 PRO 41 1HB PRO 41 27.480 17.250 -7.225
281 HB3 PRO 41 2HB PRO 41 27.895 15.587 -6.793
282 HG2 PRO 41 1HG PRO 41 25.860 16.585 -8.749
283 HG3 PRO 41 2HG PRO 41 27.011 15.246 -8.917
284 HD2 PRO 41 1HD PRO 41 24.403 14.857 -8.301
285 HD3 PRO 41 2HD PRO 41 25.694 13.796 -7.702
286 H SER 42 H SER 42 26.608 18.083 -4.227
287 HA SER 42 HA SER 42 25.691 20.085 -3.589
288 HB2 SER 42 1HB SER 42 25.869 20.423 -6.592
289 HB3 SER 42 2HB SER 42 25.612 21.748 -5.455
290 HG SER 42 HG SER 42 27.629 21.015 -4.451
291 H SER 43 H SER 43 23.715 18.317 -3.436
292 HA SER 43 HA SER 43 21.424 19.512 -4.843
293 HB2 SER 43 1HB SER 43 21.894 17.019 -5.086
294 HB3 SER 43 2HB SER 43 21.433 16.864 -3.391
295 HG SER 43 HG SER 43 19.476 18.152 -4.268
296 H GLY 44 H GLY 44 22.359 18.180 -1.671
297 HA2 GLY 44 1HA GLY 44 22.001 19.472 0.336
298 HA3 GLY 44 2HA GLY 44 20.588 20.184 -0.430
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -13.563 -15.270 7.956
2 HA2 GLY 1 1HA GLY 1 -12.436 -13.246 8.164
3 HA3 GLY 1 2HA GLY 1 -11.196 -14.185 7.345
4 H SER 2 H SER 2 -14.227 -12.556 6.398
5 HA SER 2 HA SER 2 -12.756 -10.864 4.555
6 HB2 SER 2 1HB SER 2 -13.423 -13.126 3.428
7 HB3 SER 2 2HB SER 2 -15.042 -12.428 3.397
8 HG SER 2 HG SER 2 -14.112 -10.624 2.277
9 H SER 3 H SER 3 -13.787 -8.960 4.109
10 HA SER 3 HA SER 3 -16.587 -8.576 4.589
11 HB2 SER 3 1HB SER 3 -16.457 -7.085 6.462
12 HB3 SER 3 2HB SER 3 -15.587 -8.552 6.909
13 HG SER 3 HG SER 3 -14.341 -6.228 5.863
14 H GLY 4 H GLY 4 -17.322 -6.944 3.364
15 HA2 GLY 4 1HA GLY 4 -16.047 -4.511 2.874
16 HA3 GLY 4 2HA GLY 4 -15.591 -5.604 1.576
17 H SER 5 H SER 5 -17.449 -6.721 0.470
18 HA SER 5 HA SER 5 -19.170 -6.351 -1.005
19 HB2 SER 5 1HB SER 5 -20.475 -5.775 1.664
20 HB3 SER 5 2HB SER 5 -21.362 -6.061 0.167
21 HG SER 5 HG SER 5 -21.040 -8.119 0.407
22 H SER 6 H SER 6 -17.517 -4.123 -0.922
23 HA SER 6 HA SER 6 -19.436 -1.891 -1.079
24 HB2 SER 6 1HB SER 6 -17.754 -1.482 0.630
25 HB3 SER 6 2HB SER 6 -16.461 -1.822 -0.520
26 HG SER 6 HG SER 6 -17.642 0.493 -0.044
27 H GLY 7 H GLY 7 -16.300 -2.893 -2.468
28 HA2 GLY 7 1HA GLY 7 -16.930 -3.181 -5.079
29 HA3 GLY 7 2HA GLY 7 -16.852 -1.434 -4.904
30 H GLU 8 H GLU 8 -15.054 -1.030 -6.104
31 HA GLU 8 HA GLU 8 -12.567 -2.375 -5.280
32 HB2 GLU 8 1HB GLU 8 -13.436 -1.176 -7.896
33 HB3 GLU 8 2HB GLU 8 -11.734 -1.426 -7.534
34 HG2 GLU 8 1HG GLU 8 -12.375 -3.847 -7.046
35 HG3 GLU 8 2HG GLU 8 -13.897 -3.473 -7.853
36 H LYS 9 H LYS 9 -10.578 -0.950 -5.636
37 HA LYS 9 HA LYS 9 -11.125 1.673 -4.427
38 HB2 LYS 9 1HB LYS 9 -8.830 -0.242 -4.248
39 HB3 LYS 9 2HB LYS 9 -8.549 1.469 -3.955
40 HG2 LYS 9 1HG LYS 9 -9.737 1.477 -2.009
41 HG3 LYS 9 2HG LYS 9 -10.790 0.154 -2.517
42 HD2 LYS 9 1HD LYS 9 -8.762 -1.351 -2.334
43 HD3 LYS 9 2HD LYS 9 -7.948 -0.005 -1.533
44 HE2 LYS 9 1HE LYS 9 -10.026 0.006 0.013
45 HE3 LYS 9 2HE LYS 9 -10.294 -1.622 -0.609
46 HZ1 LYS 9 3HZ LYS 9 -8.782 -1.079 1.514
47 HZ2 LYS 9 1HZ LYS 9 -7.600 -1.058 0.304
48 HZ3 LYS 9 2HZ LYS 9 -8.554 -2.436 0.530
49 HA PRO 10 HA PRO 10 -9.933 3.275 -8.439
50 HB2 PRO 10 1HB PRO 10 -10.488 5.864 -7.838
51 HB3 PRO 10 2HB PRO 10 -11.737 4.687 -8.259
52 HG2 PRO 10 1HG PRO 10 -10.877 5.654 -5.559
53 HG3 PRO 10 2HG PRO 10 -12.516 5.379 -6.179
54 HD2 PRO 10 1HD PRO 10 -11.250 3.605 -4.572
55 HD3 PRO 10 2HD PRO 10 -12.404 3.104 -5.824
56 H TYR 11 H TYR 11 -8.346 3.348 -5.578
57 HA TYR 11 HA TYR 11 -6.168 4.976 -6.699
58 HB2 TYR 11 1HB TYR 11 -6.998 4.925 -3.790
59 HB3 TYR 11 2HB TYR 11 -5.644 5.824 -4.464
60 HD1 TYR 11 HD2 TYR 11 -9.321 5.606 -4.311
61 HD2 TYR 11 HD1 TYR 11 -5.978 7.915 -5.575
62 HE1 TYR 11 HE2 TYR 11 -10.806 7.523 -4.718
63 HE2 TYR 11 HE1 TYR 11 -7.454 9.839 -5.984
64 HH TYR 11 HH TYR 11 -10.950 9.634 -5.374
65 H SER 12 H SER 12 -4.618 3.567 -7.182
66 HA SER 12 HA SER 12 -3.848 1.597 -5.137
67 HB2 SER 12 1HB SER 12 -3.495 0.904 -8.020
68 HB3 SER 12 2HB SER 12 -3.754 -0.155 -6.634
69 HG SER 12 HG SER 12 -5.941 0.918 -6.619
70 H CYS 13 H CYS 13 -1.640 1.094 -5.020
71 HA CYS 13 HA CYS 13 0.097 3.241 -5.820
72 HB2 CYS 13 1HB CYS 13 0.459 2.278 -3.652
73 HB3 CYS 13 2HB CYS 13 0.587 0.659 -4.331
74 H ASN 14 H ASN 14 2.188 2.839 -6.899
75 HA ASN 14 HA ASN 14 1.971 0.735 -8.950
76 HB2 ASN 14 1HB ASN 14 3.277 3.408 -9.432
77 HB3 ASN 14 2HB ASN 14 2.774 2.209 -10.620
78 HD21 ASN 14 1HD2 ASN 14 1.602 4.523 -8.247
79 HD22 ASN 14 2HD2 ASN 14 0.073 4.801 -9.003
80 H GLU 15 H GLU 15 3.938 2.415 -6.660
81 HA GLU 15 HA GLU 15 6.472 1.515 -7.588
82 HB2 GLU 15 1HB GLU 15 5.838 2.217 -4.730
83 HB3 GLU 15 2HB GLU 15 7.362 2.402 -5.587
84 HG2 GLU 15 1HG GLU 15 5.046 3.899 -6.645
85 HG3 GLU 15 2HG GLU 15 5.710 4.432 -5.102
86 H CYS 16 H CYS 16 4.865 0.609 -4.540
87 HA CYS 16 HA CYS 16 6.120 -2.030 -4.738
88 HB2 CYS 16 1HB CYS 16 5.722 -2.254 -2.379
89 HB3 CYS 16 2HB CYS 16 6.414 -0.660 -2.661
90 H GLY 17 H GLY 17 3.124 -0.485 -5.165
91 HA2 GLY 17 1HA GLY 17 1.209 -1.487 -6.071
92 HA3 GLY 17 2HA GLY 17 1.840 -3.060 -5.607
93 H LYS 18 H LYS 18 -0.619 -1.039 -5.056
94 HA LYS 18 HA LYS 18 -1.535 -2.389 -2.764
95 HB2 LYS 18 1HB LYS 18 0.244 -0.933 -1.732
96 HB3 LYS 18 2HB LYS 18 -0.708 0.464 -2.217
97 HG2 LYS 18 1HG LYS 18 -2.294 0.112 -0.629
98 HG3 LYS 18 2HG LYS 18 -2.072 -1.639 -0.635
99 HD2 LYS 18 1HD LYS 18 0.267 -1.052 0.375
100 HD3 LYS 18 2HD LYS 18 -0.518 0.470 0.803
101 HE2 LYS 18 1HE LYS 18 -0.717 -1.035 2.658
102 HE3 LYS 18 2HE LYS 18 -2.309 -0.839 1.925
103 HZ1 LYS 18 3HZ LYS 18 -2.414 -3.019 1.658
104 HZ2 LYS 18 1HZ LYS 18 -0.887 -3.206 2.363
105 HZ3 LYS 18 2HZ LYS 18 -1.026 -2.999 0.690
106 H ALA 19 H ALA 19 -3.503 -1.172 -1.792
107 HA ALA 19 HA ALA 19 -4.868 0.339 -3.919
108 HB1 ALA 19 3HB ALA 19 -5.825 -1.791 -4.110
109 HB2 ALA 19 1HB ALA 19 -5.883 -2.018 -2.362
110 HB3 ALA 19 2HB ALA 19 -6.976 -0.872 -3.140
111 H PHE 20 H PHE 20 -6.631 1.692 -3.181
112 HA PHE 20 HA PHE 20 -6.920 2.191 -0.356
113 HB2 PHE 20 1HB PHE 20 -5.628 4.255 -2.149
114 HB3 PHE 20 2HB PHE 20 -6.248 4.590 -0.536
115 HD1 PHE 20 HD2 PHE 20 -5.100 3.779 1.432
116 HD2 PHE 20 HD1 PHE 20 -3.604 2.980 -2.472
117 HE1 PHE 20 HE2 PHE 20 -2.939 3.111 2.401
118 HE2 PHE 20 HE1 PHE 20 -1.441 2.311 -1.510
119 HZ PHE 20 HZ PHE 20 -1.105 2.377 0.929
120 H THR 21 H THR 21 -8.820 3.201 0.129
121 HA THR 21 HA THR 21 -10.768 3.383 -1.965
122 HB THR 21 HB THR 21 -11.061 4.218 0.926
123 HG1 THR 21 HG1 THR 21 -12.093 2.030 0.977
124 HG21 THR 21 3HG2 THR 21 -13.456 3.193 -0.117
125 HG22 THR 21 1HG2 THR 21 -12.828 4.290 -1.345
126 HG23 THR 21 2HG2 THR 21 -13.099 4.869 0.299
127 H PHE 22 H PHE 22 -8.989 5.676 0.035
128 HA PHE 22 HA PHE 22 -10.108 7.862 -1.595
129 HB2 PHE 22 1HB PHE 22 -9.515 7.675 1.320
130 HB3 PHE 22 2HB PHE 22 -9.258 9.225 0.526
131 HD1 PHE 22 HD1 PHE 22 -11.155 10.385 -0.558
132 HD2 PHE 22 HD2 PHE 22 -11.693 6.865 1.774
133 HE1 PHE 22 HE1 PHE 22 -13.557 10.882 -0.368
134 HE2 PHE 22 HE2 PHE 22 -14.096 7.356 1.967
135 HZ PHE 22 HZ PHE 22 -15.031 9.366 0.895
136 H LYS 23 H LYS 23 -8.699 9.549 -2.214
137 HA LYS 23 HA LYS 23 -6.188 8.777 -3.111
138 HB2 LYS 23 1HB LYS 23 -7.314 10.650 -4.113
139 HB3 LYS 23 2HB LYS 23 -7.311 11.532 -2.592
140 HG2 LYS 23 1HG LYS 23 -5.129 12.149 -2.789
141 HG3 LYS 23 2HG LYS 23 -4.693 10.717 -3.724
142 HD2 LYS 23 1HD LYS 23 -6.567 12.669 -4.954
143 HD3 LYS 23 2HD LYS 23 -4.865 13.120 -4.833
144 HE2 LYS 23 1HE LYS 23 -5.530 10.420 -5.883
145 HE3 LYS 23 2HE LYS 23 -5.827 11.810 -6.926
146 HZ1 LYS 23 3HZ LYS 23 -3.259 11.921 -5.674
147 HZ2 LYS 23 1HZ LYS 23 -3.664 12.040 -7.313
148 HZ3 LYS 23 2HZ LYS 23 -3.446 10.520 -6.604
149 H SER 24 H SER 24 -6.838 11.091 -0.470
150 HA SER 24 HA SER 24 -4.390 11.580 0.503
151 HB2 SER 24 1HB SER 24 -6.804 12.088 1.476
152 HB3 SER 24 2HB SER 24 -6.404 10.745 2.547
153 HG SER 24 HG SER 24 -5.715 12.665 3.482
154 H GLN 25 H GLN 25 -6.281 8.720 1.487
155 HA GLN 25 HA GLN 25 -4.446 7.490 3.113
156 HB2 GLN 25 1HB GLN 25 -6.261 6.094 1.140
157 HB3 GLN 25 2HB GLN 25 -5.551 5.380 2.582
158 HG2 GLN 25 1HG GLN 25 -6.817 6.969 3.966
159 HG3 GLN 25 2HG GLN 25 -7.565 7.615 2.506
160 HE21 GLN 25 1HE2 GLN 25 -7.042 4.538 4.188
161 HE22 GLN 25 2HE2 GLN 25 -8.596 3.878 3.825
162 H LEU 26 H LEU 26 -4.590 7.457 -0.410
163 HA LEU 26 HA LEU 26 -2.437 5.587 -0.700
164 HB2 LEU 26 1HB LEU 26 -4.088 5.717 -2.428
165 HB3 LEU 26 2HB LEU 26 -3.800 7.443 -2.640
166 HG LEU 26 HG LEU 26 -1.608 6.984 -3.584
167 HD11 LEU 26 1HD1 LEU 26 -1.301 4.869 -2.204
168 HD12 LEU 26 2HD1 LEU 26 -0.711 4.835 -3.865
169 HD13 LEU 26 3HD1 LEU 26 -2.236 4.051 -3.455
170 HD21 LEU 26 3HD2 LEU 26 -3.658 5.219 -4.910
171 HD22 LEU 26 1HD2 LEU 26 -2.308 6.064 -5.669
172 HD23 LEU 26 2HD2 LEU 26 -3.664 6.980 -5.011
173 H ILE 27 H ILE 27 -2.753 9.063 -0.551
174 HA ILE 27 HA ILE 27 -0.237 9.765 -1.601
175 HB ILE 27 HB ILE 27 -1.767 11.267 0.524
176 HG12 ILE 27 1HG1 ILE 27 -3.299 10.868 -1.272
177 HG13 ILE 27 2HG1 ILE 27 -2.722 12.522 -1.445
178 HG21 ILE 27 1HG2 ILE 27 0.024 12.388 -1.611
179 HG22 ILE 27 2HG2 ILE 27 -0.583 13.182 -0.159
180 HG23 ILE 27 3HG2 ILE 27 0.629 11.907 -0.026
181 HD11 ILE 27 3HD1 ILE 27 -2.820 11.455 -3.596
182 HD12 ILE 27 1HD1 ILE 27 -1.137 11.756 -3.162
183 HD13 ILE 27 2HD1 ILE 27 -1.807 10.130 -3.021
184 H VAL 28 H VAL 28 -1.291 8.952 1.671
185 HA VAL 28 HA VAL 28 1.154 9.581 2.958
186 HB VAL 28 HB VAL 28 -0.941 7.596 3.850
187 HG11 VAL 28 1HG1 VAL 28 1.150 9.119 5.404
188 HG12 VAL 28 2HG1 VAL 28 -0.084 8.064 6.097
189 HG13 VAL 28 3HG1 VAL 28 1.168 7.391 5.053
190 HG21 VAL 28 3HG2 VAL 28 -1.407 9.813 5.318
191 HG22 VAL 28 1HG2 VAL 28 -0.895 10.540 3.795
192 HG23 VAL 28 2HG2 VAL 28 -2.261 9.426 3.825
193 H HIS 29 H HIS 29 -0.193 6.547 1.704
194 HA HIS 29 HA HIS 29 1.989 4.924 2.505
195 HB2 HIS 29 1HB HIS 29 0.090 3.674 2.079
196 HB3 HIS 29 2HB HIS 29 -0.326 4.601 0.641
197 HD1 HIS 29 HD1 HIS 29 1.523 1.608 1.772
198 HD2 HIS 29 HD2 HIS 29 1.096 3.831 -1.711
199 HE1 HIS 29 HE1 HIS 29 2.460 0.167 -0.064
200 H LYS 30 H LYS 30 1.368 6.919 -0.281
201 HA LYS 30 HA LYS 30 3.401 5.807 -1.944
202 HB2 LYS 30 1HB LYS 30 1.720 8.282 -2.007
203 HB3 LYS 30 2HB LYS 30 3.113 8.164 -3.074
204 HG2 LYS 30 1HG LYS 30 2.092 5.892 -3.766
205 HG3 LYS 30 2HG LYS 30 0.610 6.532 -3.050
206 HD2 LYS 30 1HD LYS 30 0.795 8.510 -4.520
207 HD3 LYS 30 2HD LYS 30 2.220 7.789 -5.272
208 HE2 LYS 30 1HE LYS 30 -0.387 6.314 -5.162
209 HE3 LYS 30 2HE LYS 30 -0.071 7.504 -6.423
210 HZ1 LYS 30 3HZ LYS 30 1.846 5.325 -5.895
211 HZ2 LYS 30 1HZ LYS 30 1.637 6.238 -7.304
212 HZ3 LYS 30 2HZ LYS 30 0.495 5.065 -6.879
213 H GLY 31 H GLY 31 3.361 8.115 0.631
214 HA2 GLY 31 1HA GLY 31 5.632 9.632 0.051
215 HA3 GLY 31 2HA GLY 31 5.041 9.283 1.669
216 H VAL 32 H VAL 32 5.354 6.432 1.498
217 HA VAL 32 HA VAL 32 7.927 6.124 2.490
218 HB VAL 32 HB VAL 32 7.565 3.808 2.520
219 HG11 VAL 32 1HG1 VAL 32 5.724 5.433 3.548
220 HG12 VAL 32 2HG1 VAL 32 4.693 4.537 2.431
221 HG13 VAL 32 3HG1 VAL 32 5.609 3.678 3.670
222 HG21 VAL 32 3HG2 VAL 32 5.657 4.202 0.217
223 HG22 VAL 32 1HG2 VAL 32 7.238 3.422 0.163
224 HG23 VAL 32 2HG2 VAL 32 5.915 2.674 1.058
225 H HIS 33 H HIS 33 6.814 6.191 -0.783
226 HA HIS 33 HA HIS 33 9.333 5.105 -1.792
227 HB2 HIS 33 1HB HIS 33 7.016 6.069 -3.461
228 HB3 HIS 33 2HB HIS 33 8.288 4.936 -3.912
229 HD1 HIS 33 HD1 HIS 33 8.212 2.715 -2.092
230 HD2 HIS 33 HD2 HIS 33 4.713 4.746 -3.037
231 HE1 HIS 33 HE1 HIS 33 6.343 1.118 -1.562
232 H THR 34 H THR 34 7.379 8.058 -1.944
233 HA THR 34 HA THR 34 9.017 9.556 -3.630
234 HB THR 34 HB THR 34 7.927 11.522 -2.789
235 HG1 THR 34 HG1 THR 34 8.163 10.968 -0.525
236 HG21 THR 34 3HG2 THR 34 6.600 9.584 -3.980
237 HG22 THR 34 1HG2 THR 34 5.760 11.005 -3.361
238 HG23 THR 34 2HG2 THR 34 5.759 9.506 -2.432
239 H GLY 35 H GLY 35 9.230 8.959 -0.168
240 HA2 GLY 35 1HA GLY 35 11.101 10.916 0.523
241 HA3 GLY 35 2HA GLY 35 10.902 9.376 1.346
242 H VAL 36 H VAL 36 13.235 9.524 1.660
243 HA VAL 36 HA VAL 36 15.270 9.721 -0.049
244 HB VAL 36 HB VAL 36 16.486 7.955 1.166
245 HG11 VAL 36 1HG1 VAL 36 14.974 9.285 3.331
246 HG12 VAL 36 2HG1 VAL 36 16.712 9.218 3.033
247 HG13 VAL 36 3HG1 VAL 36 15.700 10.333 2.113
248 HG21 VAL 36 3HG2 VAL 36 15.490 6.281 2.265
249 HG22 VAL 36 1HG2 VAL 36 14.347 7.367 3.054
250 HG23 VAL 36 2HG2 VAL 36 14.016 6.768 1.429
251 H LYS 37 H LYS 37 16.357 8.500 -1.586
252 HA LYS 37 HA LYS 37 15.258 5.949 -2.432
253 HB2 LYS 37 1HB LYS 37 13.860 7.177 -3.814
254 HB3 LYS 37 2HB LYS 37 15.033 8.470 -4.026
255 HG2 LYS 37 1HG LYS 37 16.382 6.993 -5.449
256 HG3 LYS 37 2HG LYS 37 15.165 5.728 -5.265
257 HD2 LYS 37 1HD LYS 37 13.533 7.573 -6.132
258 HD3 LYS 37 2HD LYS 37 15.008 8.316 -6.753
259 HE2 LYS 37 1HE LYS 37 14.072 6.955 -8.484
260 HE3 LYS 37 2HE LYS 37 15.530 6.162 -7.891
261 HZ1 LYS 37 3HZ LYS 37 12.966 5.423 -6.685
262 HZ2 LYS 37 1HZ LYS 37 14.347 4.480 -6.947
263 HZ3 LYS 37 2HZ LYS 37 13.311 4.841 -8.235
264 HA PRO 38 HA PRO 38 19.558 5.260 -3.154
265 HB2 PRO 38 1HB PRO 38 19.338 2.947 -4.559
266 HB3 PRO 38 2HB PRO 38 19.095 3.036 -2.810
267 HG2 PRO 38 1HG PRO 38 17.060 2.984 -5.005
268 HG3 PRO 38 2HG PRO 38 17.058 2.120 -3.456
269 HD2 PRO 38 1HD PRO 38 15.620 4.378 -3.868
270 HD3 PRO 38 2HD PRO 38 16.312 3.962 -2.287
271 H SER 39 H SER 39 21.093 5.400 -4.801
272 HA SER 39 HA SER 39 20.751 7.057 -6.886
273 HB2 SER 39 1HB SER 39 22.898 5.862 -6.070
274 HB3 SER 39 2HB SER 39 22.498 4.637 -7.273
275 HG SER 39 HG SER 39 22.583 7.365 -7.970
276 H GLY 40 H GLY 40 20.128 7.000 -9.020
277 HA2 GLY 40 1HA GLY 40 18.951 4.469 -9.979
278 HA3 GLY 40 2HA GLY 40 18.067 5.983 -10.103
279 HA PRO 41 HA PRO 41 20.483 5.227 -14.030
280 HB2 PRO 41 1HB PRO 41 18.356 5.466 -15.700
281 HB3 PRO 41 2HB PRO 41 18.829 3.932 -14.960
282 HG2 PRO 41 1HG PRO 41 16.683 5.850 -14.136
283 HG3 PRO 41 2HG PRO 41 16.630 4.080 -14.217
284 HD2 PRO 41 1HD PRO 41 16.991 5.422 -11.893
285 HD3 PRO 41 2HD PRO 41 17.715 3.830 -12.199
286 H SER 42 H SER 42 20.815 6.738 -15.787
287 HA SER 42 HA SER 42 21.095 9.356 -15.071
288 HB2 SER 42 1HB SER 42 22.200 8.560 -17.039
289 HB3 SER 42 2HB SER 42 20.666 8.171 -17.818
290 HG SER 42 HG SER 42 21.237 10.096 -18.668
291 H SER 43 H SER 43 18.314 7.888 -16.696
292 HA SER 43 HA SER 43 16.755 9.910 -17.460
293 HB2 SER 43 1HB SER 43 15.958 7.506 -15.820
294 HB3 SER 43 2HB SER 43 14.770 8.625 -16.487
295 HG SER 43 HG SER 43 15.585 6.623 -17.735
296 H GLY 44 H GLY 44 15.514 11.539 -16.622
297 HA2 GLY 44 1HA GLY 44 16.287 12.635 -14.128
298 HA3 GLY 44 2HA GLY 44 14.967 13.205 -15.139
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -13.673 -8.784 14.385
2 HA2 GLY 1 1HA GLY 1 -11.561 -10.400 13.535
3 HA3 GLY 1 2HA GLY 1 -12.839 -10.543 12.337
4 H SER 2 H SER 2 -10.171 -9.395 12.055
5 HA SER 2 HA SER 2 -10.400 -6.552 11.972
6 HB2 SER 2 1HB SER 2 -8.203 -7.472 12.196
7 HB3 SER 2 2HB SER 2 -8.409 -8.478 10.763
8 HG SER 2 HG SER 2 -8.565 -6.482 9.561
9 H SER 3 H SER 3 -10.159 -8.976 9.363
10 HA SER 3 HA SER 3 -10.639 -7.318 7.214
11 HB2 SER 3 1HB SER 3 -11.628 -10.166 7.494
12 HB3 SER 3 2HB SER 3 -11.327 -9.303 5.986
13 HG SER 3 HG SER 3 -9.273 -9.715 6.175
14 H GLY 4 H GLY 4 -12.431 -6.554 6.145
15 HA2 GLY 4 1HA GLY 4 -15.099 -7.291 6.889
16 HA3 GLY 4 2HA GLY 4 -14.638 -5.729 7.548
17 H SER 5 H SER 5 -14.810 -3.971 6.290
18 HA SER 5 HA SER 5 -16.071 -4.217 3.740
19 HB2 SER 5 1HB SER 5 -16.608 -2.349 5.219
20 HB3 SER 5 2HB SER 5 -14.938 -1.788 5.149
21 HG SER 5 HG SER 5 -15.505 -1.864 2.703
22 H SER 6 H SER 6 -15.131 -4.489 1.837
23 HA SER 6 HA SER 6 -12.666 -3.175 1.156
24 HB2 SER 6 1HB SER 6 -11.933 -5.253 2.391
25 HB3 SER 6 2HB SER 6 -12.678 -6.198 1.102
26 HG SER 6 HG SER 6 -11.255 -5.211 -0.364
27 H GLY 7 H GLY 7 -13.305 -2.336 -0.725
28 HA2 GLY 7 1HA GLY 7 -14.325 -4.189 -2.771
29 HA3 GLY 7 2HA GLY 7 -15.191 -2.694 -2.452
30 H GLU 8 H GLU 8 -14.384 -3.095 -4.971
31 HA GLU 8 HA GLU 8 -11.959 -2.522 -5.941
32 HB2 GLU 8 1HB GLU 8 -14.524 -1.173 -6.800
33 HB3 GLU 8 2HB GLU 8 -13.042 -1.199 -7.745
34 HG2 GLU 8 1HG GLU 8 -14.675 -3.595 -6.939
35 HG3 GLU 8 2HG GLU 8 -14.615 -2.862 -8.541
36 H LYS 9 H LYS 9 -10.442 -1.016 -5.721
37 HA LYS 9 HA LYS 9 -11.201 1.553 -4.494
38 HB2 LYS 9 1HB LYS 9 -8.809 -0.210 -4.154
39 HB3 LYS 9 2HB LYS 9 -8.628 1.525 -3.930
40 HG2 LYS 9 1HG LYS 9 -9.935 1.558 -2.046
41 HG3 LYS 9 2HG LYS 9 -10.829 0.108 -2.510
42 HD2 LYS 9 1HD LYS 9 -8.819 -1.244 -2.071
43 HD3 LYS 9 2HD LYS 9 -7.965 0.214 -1.561
44 HE2 LYS 9 1HE LYS 9 -9.630 0.534 0.224
45 HE3 LYS 9 2HE LYS 9 -10.431 -0.956 -0.273
46 HZ1 LYS 9 3HZ LYS 9 -8.405 -0.728 1.554
47 HZ2 LYS 9 1HZ LYS 9 -7.644 -1.352 0.178
48 HZ3 LYS 9 2HZ LYS 9 -8.967 -2.162 0.853
49 HA PRO 10 HA PRO 10 -9.953 3.174 -8.469
50 HB2 PRO 10 1HB PRO 10 -10.571 5.755 -7.896
51 HB3 PRO 10 2HB PRO 10 -11.789 4.547 -8.322
52 HG2 PRO 10 1HG PRO 10 -10.985 5.553 -5.620
53 HG3 PRO 10 2HG PRO 10 -12.609 5.238 -6.259
54 HD2 PRO 10 1HD PRO 10 -11.326 3.505 -4.621
55 HD3 PRO 10 2HD PRO 10 -12.453 2.969 -5.884
56 H TYR 11 H TYR 11 -8.408 3.309 -5.585
57 HA TYR 11 HA TYR 11 -6.247 4.967 -6.695
58 HB2 TYR 11 1HB TYR 11 -7.119 4.940 -3.798
59 HB3 TYR 11 2HB TYR 11 -5.775 5.859 -4.466
60 HD1 TYR 11 HD2 TYR 11 -9.446 5.567 -4.348
61 HD2 TYR 11 HD1 TYR 11 -6.140 7.921 -5.625
62 HE1 TYR 11 HE2 TYR 11 -10.967 7.445 -4.804
63 HE2 TYR 11 HE1 TYR 11 -7.652 9.806 -6.084
64 HH TYR 11 HH TYR 11 -10.454 9.818 -6.665
65 H SER 12 H SER 12 -4.645 3.601 -7.120
66 HA SER 12 HA SER 12 -3.905 1.639 -5.053
67 HB2 SER 12 1HB SER 12 -3.188 0.120 -6.928
68 HB3 SER 12 2HB SER 12 -4.930 0.371 -6.823
69 HG SER 12 HG SER 12 -3.855 0.564 -8.974
70 H CYS 13 H CYS 13 -1.628 0.928 -5.202
71 HA CYS 13 HA CYS 13 0.075 3.218 -5.830
72 HB2 CYS 13 1HB CYS 13 0.370 2.402 -3.607
73 HB3 CYS 13 2HB CYS 13 0.504 0.738 -4.165
74 H ASN 14 H ASN 14 2.085 2.949 -6.945
75 HA ASN 14 HA ASN 14 2.015 0.733 -8.884
76 HB2 ASN 14 1HB ASN 14 3.460 3.344 -9.305
77 HB3 ASN 14 2HB ASN 14 2.966 2.160 -10.512
78 HD21 ASN 14 1HD2 ASN 14 2.390 5.131 -9.769
79 HD22 ASN 14 2HD2 ASN 14 0.683 5.250 -10.011
80 H GLU 15 H GLU 15 4.134 2.723 -6.870
81 HA GLU 15 HA GLU 15 6.600 1.688 -7.488
82 HB2 GLU 15 1HB GLU 15 5.666 2.318 -4.685
83 HB3 GLU 15 2HB GLU 15 7.322 2.340 -5.276
84 HG2 GLU 15 1HG GLU 15 5.396 4.087 -6.673
85 HG3 GLU 15 2HG GLU 15 5.826 4.534 -5.023
86 H CYS 16 H CYS 16 4.897 0.615 -4.555
87 HA CYS 16 HA CYS 16 6.084 -2.043 -4.931
88 HB2 CYS 16 1HB CYS 16 5.744 -2.392 -2.569
89 HB3 CYS 16 2HB CYS 16 6.528 -0.831 -2.795
90 H GLY 17 H GLY 17 3.151 -0.375 -5.202
91 HA2 GLY 17 1HA GLY 17 1.175 -1.270 -6.092
92 HA3 GLY 17 2HA GLY 17 1.746 -2.880 -5.682
93 H LYS 18 H LYS 18 -0.692 -0.945 -5.081
94 HA LYS 18 HA LYS 18 -1.500 -2.247 -2.722
95 HB2 LYS 18 1HB LYS 18 0.247 -0.676 -1.794
96 HB3 LYS 18 2HB LYS 18 -0.789 0.656 -2.290
97 HG2 LYS 18 1HG LYS 18 -2.319 0.264 -0.651
98 HG3 LYS 18 2HG LYS 18 -1.981 -1.468 -0.595
99 HD2 LYS 18 1HD LYS 18 0.091 -1.069 0.577
100 HD3 LYS 18 2HD LYS 18 -0.113 0.677 0.415
101 HE2 LYS 18 1HE LYS 18 -0.821 0.251 2.589
102 HE3 LYS 18 2HE LYS 18 -2.328 0.316 1.676
103 HZ1 LYS 18 3HZ LYS 18 -1.024 -1.962 2.950
104 HZ2 LYS 18 1HZ LYS 18 -1.828 -2.259 1.491
105 HZ3 LYS 18 2HZ LYS 18 -2.671 -1.601 2.802
106 H ALA 19 H ALA 19 -3.481 -1.037 -1.733
107 HA ALA 19 HA ALA 19 -4.945 0.381 -3.852
108 HB1 ALA 19 3HB ALA 19 -5.602 -2.204 -2.619
109 HB2 ALA 19 1HB ALA 19 -6.938 -1.056 -2.715
110 HB3 ALA 19 2HB ALA 19 -6.078 -1.533 -4.179
111 H PHE 20 H PHE 20 -6.667 1.723 -3.118
112 HA PHE 20 HA PHE 20 -7.073 2.108 -0.289
113 HB2 PHE 20 1HB PHE 20 -5.755 4.273 -1.940
114 HB3 PHE 20 2HB PHE 20 -6.382 4.489 -0.310
115 HD1 PHE 20 HD2 PHE 20 -5.246 3.516 1.601
116 HD2 PHE 20 HD1 PHE 20 -3.708 3.075 -2.343
117 HE1 PHE 20 HE2 PHE 20 -3.083 2.799 2.529
118 HE2 PHE 20 HE1 PHE 20 -1.542 2.356 -1.422
119 HZ PHE 20 HZ PHE 20 -1.227 2.219 1.017
120 H THR 21 H THR 21 -8.995 3.090 0.159
121 HA THR 21 HA THR 21 -10.874 3.326 -1.981
122 HB THR 21 HB THR 21 -11.328 4.248 0.854
123 HG1 THR 21 HG1 THR 21 -11.549 1.606 -0.202
124 HG21 THR 21 3HG2 THR 21 -13.091 4.812 -0.718
125 HG22 THR 21 1HG2 THR 21 -13.645 3.538 0.368
126 HG23 THR 21 2HG2 THR 21 -13.158 3.142 -1.280
127 H PHE 22 H PHE 22 -8.982 5.565 -0.077
128 HA PHE 22 HA PHE 22 -10.130 7.783 -1.639
129 HB2 PHE 22 1HB PHE 22 -9.444 7.595 1.262
130 HB3 PHE 22 2HB PHE 22 -9.242 9.143 0.449
131 HD1 PHE 22 HD1 PHE 22 -11.348 9.799 -1.072
132 HD2 PHE 22 HD2 PHE 22 -11.439 7.222 2.314
133 HE1 PHE 22 HE1 PHE 22 -13.749 10.260 -0.790
134 HE2 PHE 22 HE2 PHE 22 -13.840 7.678 2.601
135 HZ PHE 22 HZ PHE 22 -14.998 9.198 1.047
136 H LYS 23 H LYS 23 -8.681 9.528 -2.148
137 HA LYS 23 HA LYS 23 -6.182 8.665 -3.104
138 HB2 LYS 23 1HB LYS 23 -7.326 10.500 -4.170
139 HB3 LYS 23 2HB LYS 23 -7.292 11.444 -2.687
140 HG2 LYS 23 1HG LYS 23 -5.019 11.890 -2.875
141 HG3 LYS 23 2HG LYS 23 -4.753 10.555 -3.999
142 HD2 LYS 23 1HD LYS 23 -6.603 12.731 -4.825
143 HD3 LYS 23 2HD LYS 23 -4.872 13.073 -4.818
144 HE2 LYS 23 1HE LYS 23 -4.435 11.593 -6.505
145 HE3 LYS 23 2HE LYS 23 -5.791 10.548 -6.087
146 HZ1 LYS 23 3HZ LYS 23 -7.282 12.288 -6.970
147 HZ2 LYS 23 1HZ LYS 23 -6.254 11.639 -8.146
148 HZ3 LYS 23 2HZ LYS 23 -5.929 13.162 -7.487
149 H SER 24 H SER 24 -6.881 11.016 -0.509
150 HA SER 24 HA SER 24 -4.435 11.588 0.442
151 HB2 SER 24 1HB SER 24 -6.940 10.950 1.999
152 HB3 SER 24 2HB SER 24 -5.476 11.549 2.779
153 HG SER 24 HG SER 24 -5.605 13.377 1.373
154 H GLN 25 H GLN 25 -6.255 8.675 1.389
155 HA GLN 25 HA GLN 25 -4.392 7.527 3.071
156 HB2 GLN 25 1HB GLN 25 -6.285 6.158 1.155
157 HB3 GLN 25 2HB GLN 25 -5.431 5.349 2.462
158 HG2 GLN 25 1HG GLN 25 -6.580 7.200 3.925
159 HG3 GLN 25 2HG GLN 25 -7.712 7.250 2.574
160 HE21 GLN 25 1HE2 GLN 25 -8.251 4.883 1.814
161 HE22 GLN 25 2HE2 GLN 25 -8.762 3.834 3.088
162 H LEU 26 H LEU 26 -4.551 7.441 -0.448
163 HA LEU 26 HA LEU 26 -2.398 5.582 -0.745
164 HB2 LEU 26 1HB LEU 26 -4.013 5.728 -2.491
165 HB3 LEU 26 2HB LEU 26 -3.759 7.464 -2.658
166 HG LEU 26 HG LEU 26 -1.519 7.044 -3.562
167 HD11 LEU 26 1HD1 LEU 26 -2.284 4.147 -3.253
168 HD12 LEU 26 2HD1 LEU 26 -0.958 4.990 -2.455
169 HD13 LEU 26 3HD1 LEU 26 -0.912 4.726 -4.198
170 HD21 LEU 26 3HD2 LEU 26 -3.803 5.620 -4.915
171 HD22 LEU 26 1HD2 LEU 26 -2.255 5.954 -5.691
172 HD23 LEU 26 2HD2 LEU 26 -3.278 7.287 -5.154
173 H ILE 27 H ILE 27 -2.698 9.084 -0.709
174 HA ILE 27 HA ILE 27 -0.143 9.737 -1.666
175 HB ILE 27 HB ILE 27 -1.631 11.329 0.414
176 HG12 ILE 27 1HG1 ILE 27 -3.280 10.856 -1.239
177 HG13 ILE 27 2HG1 ILE 27 -2.685 12.475 -1.587
178 HG21 ILE 27 1HG2 ILE 27 -0.602 13.235 -0.792
179 HG22 ILE 27 2HG2 ILE 27 0.578 12.149 -0.060
180 HG23 ILE 27 3HG2 ILE 27 0.275 12.080 -1.796
181 HD11 ILE 27 3HD1 ILE 27 -1.143 11.393 -3.272
182 HD12 ILE 27 1HD1 ILE 27 -2.094 9.924 -3.047
183 HD13 ILE 27 2HD1 ILE 27 -2.864 11.390 -3.658
184 H VAL 28 H VAL 28 -1.292 8.929 1.566
185 HA VAL 28 HA VAL 28 1.103 9.596 2.934
186 HB VAL 28 HB VAL 28 -1.013 7.605 3.763
187 HG11 VAL 28 1HG1 VAL 28 -0.213 8.285 6.066
188 HG12 VAL 28 2HG1 VAL 28 0.896 7.288 5.121
189 HG13 VAL 28 3HG1 VAL 28 1.173 9.025 5.265
190 HG21 VAL 28 3HG2 VAL 28 -2.366 9.386 3.809
191 HG22 VAL 28 1HG2 VAL 28 -1.425 9.902 5.209
192 HG23 VAL 28 2HG2 VAL 28 -1.028 10.517 3.604
193 H HIS 29 H HIS 29 -0.186 6.535 1.677
194 HA HIS 29 HA HIS 29 2.012 4.957 2.541
195 HB2 HIS 29 1HB HIS 29 0.142 3.661 2.141
196 HB3 HIS 29 2HB HIS 29 -0.300 4.556 0.690
197 HD1 HIS 29 HD1 HIS 29 1.816 1.721 1.879
198 HD2 HIS 29 HD2 HIS 29 0.913 3.667 -1.679
199 HE1 HIS 29 HE1 HIS 29 2.714 0.240 0.056
200 H LYS 30 H LYS 30 1.415 6.940 -0.241
201 HA LYS 30 HA LYS 30 3.415 5.799 -1.924
202 HB2 LYS 30 1HB LYS 30 1.780 8.303 -1.955
203 HB3 LYS 30 2HB LYS 30 3.173 8.183 -3.022
204 HG2 LYS 30 1HG LYS 30 2.121 5.936 -3.750
205 HG3 LYS 30 2HG LYS 30 0.647 6.585 -3.026
206 HD2 LYS 30 1HD LYS 30 0.742 8.516 -4.483
207 HD3 LYS 30 2HD LYS 30 2.282 7.971 -5.152
208 HE2 LYS 30 1HE LYS 30 -0.137 6.214 -5.286
209 HE3 LYS 30 2HE LYS 30 0.084 7.513 -6.456
210 HZ1 LYS 30 3HZ LYS 30 0.984 5.473 -7.318
211 HZ2 LYS 30 1HZ LYS 30 1.956 5.264 -5.950
212 HZ3 LYS 30 2HZ LYS 30 2.255 6.546 -7.012
213 H GLY 31 H GLY 31 3.400 8.216 0.588
214 HA2 GLY 31 1HA GLY 31 5.724 9.627 0.026
215 HA3 GLY 31 2HA GLY 31 5.119 9.310 1.645
216 H VAL 32 H VAL 32 5.357 6.434 1.456
217 HA VAL 32 HA VAL 32 7.894 6.054 2.502
218 HB VAL 32 HB VAL 32 7.493 3.741 2.462
219 HG11 VAL 32 1HG1 VAL 32 5.532 3.639 3.595
220 HG12 VAL 32 2HG1 VAL 32 5.653 5.396 3.478
221 HG13 VAL 32 3HG1 VAL 32 4.638 4.503 2.345
222 HG21 VAL 32 3HG2 VAL 32 7.199 3.412 0.095
223 HG22 VAL 32 1HG2 VAL 32 5.835 2.686 0.946
224 HG23 VAL 32 2HG2 VAL 32 5.642 4.239 0.133
225 H HIS 33 H HIS 33 6.812 5.967 -0.823
226 HA HIS 33 HA HIS 33 9.381 4.962 -1.757
227 HB2 HIS 33 1HB HIS 33 7.104 5.891 -3.497
228 HB3 HIS 33 2HB HIS 33 8.385 4.749 -3.892
229 HD1 HIS 33 HD1 HIS 33 8.262 2.515 -2.154
230 HD2 HIS 33 HD2 HIS 33 4.782 4.625 -2.991
231 HE1 HIS 33 HE1 HIS 33 6.376 0.941 -1.616
232 H THR 34 H THR 34 7.330 7.808 -2.409
233 HA THR 34 HA THR 34 9.567 9.238 -3.556
234 HB THR 34 HB THR 34 7.535 9.702 -4.647
235 HG1 THR 34 HG1 THR 34 7.880 11.866 -2.823
236 HG21 THR 34 3HG2 THR 34 5.706 10.828 -2.991
237 HG22 THR 34 1HG2 THR 34 6.425 9.626 -1.920
238 HG23 THR 34 2HG2 THR 34 5.708 9.126 -3.451
239 H GLY 35 H GLY 35 10.801 10.746 -2.589
240 HA2 GLY 35 1HA GLY 35 9.997 12.290 -0.353
241 HA3 GLY 35 2HA GLY 35 10.987 10.939 0.180
242 H VAL 36 H VAL 36 12.781 10.788 -1.956
243 HA VAL 36 HA VAL 36 13.973 13.376 -2.383
244 HB VAL 36 HB VAL 36 14.745 12.890 -0.100
245 HG11 VAL 36 1HG1 VAL 36 14.663 10.376 -0.447
246 HG12 VAL 36 2HG1 VAL 36 16.240 10.536 -1.223
247 HG13 VAL 36 3HG1 VAL 36 16.035 11.003 0.466
248 HG21 VAL 36 3HG2 VAL 36 17.244 12.955 -0.633
249 HG22 VAL 36 1HG2 VAL 36 16.759 12.862 -2.326
250 HG23 VAL 36 2HG2 VAL 36 16.234 14.220 -1.331
251 H LYS 37 H LYS 37 15.125 13.382 -4.218
252 HA LYS 37 HA LYS 37 16.258 10.879 -5.222
253 HB2 LYS 37 1HB LYS 37 13.859 11.475 -6.139
254 HB3 LYS 37 2HB LYS 37 14.754 12.603 -7.149
255 HG2 LYS 37 1HG LYS 37 15.556 9.726 -7.010
256 HG3 LYS 37 2HG LYS 37 14.230 10.247 -8.053
257 HD2 LYS 37 1HD LYS 37 16.857 11.672 -8.158
258 HD3 LYS 37 2HD LYS 37 16.659 10.130 -8.994
259 HE2 LYS 37 1HE LYS 37 14.969 10.983 -10.388
260 HE3 LYS 37 2HE LYS 37 14.726 12.399 -9.366
261 HZ1 LYS 37 3HZ LYS 37 16.084 12.559 -11.575
262 HZ2 LYS 37 1HZ LYS 37 17.353 11.998 -10.606
263 HZ3 LYS 37 2HZ LYS 37 16.558 13.437 -10.209
264 HA PRO 38 HA PRO 38 19.623 13.578 -6.154
265 HB2 PRO 38 1HB PRO 38 21.009 11.907 -7.785
266 HB3 PRO 38 2HB PRO 38 20.950 11.706 -6.030
267 HG2 PRO 38 1HG PRO 38 19.381 10.293 -8.151
268 HG3 PRO 38 2HG PRO 38 20.156 9.627 -6.702
269 HD2 PRO 38 1HD PRO 38 17.500 10.138 -6.829
270 HD3 PRO 38 2HD PRO 38 18.430 10.283 -5.324
271 H SER 39 H SER 39 19.404 15.268 -7.472
272 HA SER 39 HA SER 39 17.923 15.474 -9.759
273 HB2 SER 39 1HB SER 39 19.284 17.264 -8.370
274 HB3 SER 39 2HB SER 39 20.486 17.012 -9.635
275 HG SER 39 HG SER 39 18.828 17.513 -11.161
276 H GLY 40 H GLY 40 18.024 14.104 -11.432
277 HA2 GLY 40 1HA GLY 40 20.606 13.863 -12.823
278 HA3 GLY 40 2HA GLY 40 19.685 12.412 -12.454
279 HA PRO 41 HA PRO 41 18.419 14.437 -16.574
280 HB2 PRO 41 1HB PRO 41 19.637 12.693 -18.262
281 HB3 PRO 41 2HB PRO 41 20.415 14.171 -17.682
282 HG2 PRO 41 1HG PRO 41 20.731 11.358 -16.709
283 HG3 PRO 41 2HG PRO 41 21.973 12.593 -16.984
284 HD2 PRO 41 1HD PRO 41 21.012 12.017 -14.519
285 HD3 PRO 41 2HD PRO 41 21.550 13.646 -14.978
286 H SER 42 H SER 42 18.064 11.649 -14.812
287 HA SER 42 HA SER 42 16.835 9.807 -16.459
288 HB2 SER 42 1HB SER 42 16.240 10.528 -13.584
289 HB3 SER 42 2HB SER 42 15.536 9.131 -14.399
290 HG SER 42 HG SER 42 18.041 9.470 -13.371
291 H SER 43 H SER 43 15.126 12.243 -14.486
292 HA SER 43 HA SER 43 12.954 12.181 -16.478
293 HB2 SER 43 1HB SER 43 11.376 12.613 -14.743
294 HB3 SER 43 2HB SER 43 12.422 11.325 -14.145
295 HG SER 43 HG SER 43 12.247 14.000 -13.350
296 H GLY 44 H GLY 44 11.763 14.206 -16.761
297 HA2 GLY 44 1HA GLY 44 13.600 16.499 -16.589
298 HA3 GLY 44 2HA GLY 44 12.281 16.334 -17.738
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -6.914 -17.973 -3.430
2 HA2 GLY 1 1HA GLY 1 -7.089 -18.668 -1.232
3 HA3 GLY 1 2HA GLY 1 -6.929 -16.991 -0.731
4 H SER 2 H SER 2 -8.657 -16.081 0.155
5 HA SER 2 HA SER 2 -11.164 -17.513 0.176
6 HB2 SER 2 1HB SER 2 -11.887 -15.760 1.758
7 HB3 SER 2 2HB SER 2 -10.345 -16.468 2.235
8 HG SER 2 HG SER 2 -10.139 -14.266 2.393
9 H SER 3 H SER 3 -12.590 -17.297 -1.406
10 HA SER 3 HA SER 3 -12.529 -15.188 -3.300
11 HB2 SER 3 1HB SER 3 -13.492 -17.643 -3.455
12 HB3 SER 3 2HB SER 3 -14.981 -16.861 -2.924
13 HG SER 3 HG SER 3 -13.700 -15.512 -4.932
14 H GLY 4 H GLY 4 -13.286 -13.193 -3.097
15 HA2 GLY 4 1HA GLY 4 -15.789 -12.708 -1.699
16 HA3 GLY 4 2HA GLY 4 -14.368 -11.958 -0.987
17 H SER 5 H SER 5 -16.909 -11.103 -2.608
18 HA SER 5 HA SER 5 -15.611 -9.563 -4.721
19 HB2 SER 5 1HB SER 5 -17.905 -8.961 -5.397
20 HB3 SER 5 2HB SER 5 -17.708 -10.709 -5.273
21 HG SER 5 HG SER 5 -19.598 -10.180 -4.241
22 H SER 6 H SER 6 -14.431 -8.117 -3.396
23 HA SER 6 HA SER 6 -15.992 -6.275 -1.740
24 HB2 SER 6 1HB SER 6 -13.810 -7.382 -0.949
25 HB3 SER 6 2HB SER 6 -12.992 -6.264 -2.040
26 HG SER 6 HG SER 6 -13.133 -5.380 0.039
27 H GLY 7 H GLY 7 -15.995 -4.047 -2.065
28 HA2 GLY 7 1HA GLY 7 -16.196 -3.091 -4.637
29 HA3 GLY 7 2HA GLY 7 -15.876 -2.074 -3.240
30 H GLU 8 H GLU 8 -14.899 -1.928 -6.039
31 HA GLU 8 HA GLU 8 -12.074 -2.528 -5.856
32 HB2 GLU 8 1HB GLU 8 -13.652 -1.091 -7.998
33 HB3 GLU 8 2HB GLU 8 -11.960 -1.552 -8.123
34 HG2 GLU 8 1HG GLU 8 -12.453 -3.812 -8.274
35 HG3 GLU 8 2HG GLU 8 -14.059 -3.608 -7.577
36 H LYS 9 H LYS 9 -10.444 -1.118 -5.489
37 HA LYS 9 HA LYS 9 -11.191 1.530 -4.516
38 HB2 LYS 9 1HB LYS 9 -8.818 -0.256 -4.184
39 HB3 LYS 9 2HB LYS 9 -8.608 1.475 -3.957
40 HG2 LYS 9 1HG LYS 9 -9.877 1.523 -2.060
41 HG3 LYS 9 2HG LYS 9 -10.850 0.132 -2.543
42 HD2 LYS 9 1HD LYS 9 -8.828 -1.299 -2.184
43 HD3 LYS 9 2HD LYS 9 -8.016 0.117 -1.512
44 HE2 LYS 9 1HE LYS 9 -8.820 -0.808 0.412
45 HE3 LYS 9 2HE LYS 9 -10.194 0.209 -0.017
46 HZ1 LYS 9 3HZ LYS 9 -10.758 -2.122 0.616
47 HZ2 LYS 9 1HZ LYS 9 -9.979 -2.644 -0.792
48 HZ3 LYS 9 2HZ LYS 9 -11.341 -1.648 -0.900
49 HA PRO 10 HA PRO 10 -9.921 3.219 -8.455
50 HB2 PRO 10 1HB PRO 10 -10.533 5.791 -7.838
51 HB3 PRO 10 2HB PRO 10 -11.754 4.595 -8.291
52 HG2 PRO 10 1HG PRO 10 -10.956 5.549 -5.568
53 HG3 PRO 10 2HG PRO 10 -12.579 5.251 -6.218
54 HD2 PRO 10 1HD PRO 10 -11.307 3.484 -4.607
55 HD3 PRO 10 2HD PRO 10 -12.431 2.976 -5.884
56 H TYR 11 H TYR 11 -8.389 3.300 -5.561
57 HA TYR 11 HA TYR 11 -6.214 4.963 -6.636
58 HB2 TYR 11 1HB TYR 11 -7.102 4.907 -3.745
59 HB3 TYR 11 2HB TYR 11 -5.753 5.830 -4.396
60 HD1 TYR 11 HD2 TYR 11 -9.424 5.550 -4.287
61 HD2 TYR 11 HD1 TYR 11 -6.109 7.902 -5.546
62 HE1 TYR 11 HE2 TYR 11 -10.938 7.437 -4.729
63 HE2 TYR 11 HE1 TYR 11 -7.614 9.796 -5.990
64 HH TYR 11 HH TYR 11 -9.713 10.513 -6.018
65 H SER 12 H SER 12 -4.609 3.602 -7.060
66 HA SER 12 HA SER 12 -3.879 1.626 -5.006
67 HB2 SER 12 1HB SER 12 -3.249 0.050 -6.815
68 HB3 SER 12 2HB SER 12 -4.973 0.421 -6.822
69 HG SER 12 HG SER 12 -3.265 1.988 -8.388
70 H CYS 13 H CYS 13 -1.627 0.983 -5.036
71 HA CYS 13 HA CYS 13 0.090 3.229 -5.727
72 HB2 CYS 13 1HB CYS 13 0.395 2.401 -3.510
73 HB3 CYS 13 2HB CYS 13 0.519 0.739 -4.077
74 H ASN 14 H ASN 14 2.047 2.996 -6.904
75 HA ASN 14 HA ASN 14 1.974 0.775 -8.834
76 HB2 ASN 14 1HB ASN 14 3.393 3.404 -9.246
77 HB3 ASN 14 2HB ASN 14 2.933 2.213 -10.459
78 HD21 ASN 14 1HD2 ASN 14 1.988 4.960 -8.679
79 HD22 ASN 14 2HD2 ASN 14 0.399 5.126 -9.336
80 H GLU 15 H GLU 15 4.124 2.771 -6.855
81 HA GLU 15 HA GLU 15 6.581 1.745 -7.495
82 HB2 GLU 15 1HB GLU 15 5.667 2.339 -4.677
83 HB3 GLU 15 2HB GLU 15 7.319 2.367 -5.277
84 HG2 GLU 15 1HG GLU 15 5.388 4.130 -6.646
85 HG3 GLU 15 2HG GLU 15 5.824 4.558 -4.993
86 H CYS 16 H CYS 16 4.921 0.629 -4.555
87 HA CYS 16 HA CYS 16 6.117 -2.017 -4.975
88 HB2 CYS 16 1HB CYS 16 5.841 -2.394 -2.625
89 HB3 CYS 16 2HB CYS 16 6.535 -0.788 -2.821
90 H GLY 17 H GLY 17 3.163 -0.362 -5.178
91 HA2 GLY 17 1HA GLY 17 1.196 -1.270 -6.090
92 HA3 GLY 17 2HA GLY 17 1.775 -2.878 -5.680
93 H LYS 18 H LYS 18 -0.671 -0.952 -5.078
94 HA LYS 18 HA LYS 18 -1.473 -2.257 -2.718
95 HB2 LYS 18 1HB LYS 18 0.275 -0.674 -1.799
96 HB3 LYS 18 2HB LYS 18 -0.780 0.649 -2.280
97 HG2 LYS 18 1HG LYS 18 -2.286 0.238 -0.627
98 HG3 LYS 18 2HG LYS 18 -1.943 -1.494 -0.592
99 HD2 LYS 18 1HD LYS 18 0.215 -1.023 0.494
100 HD3 LYS 18 2HD LYS 18 -0.173 0.699 0.492
101 HE2 LYS 18 1HE LYS 18 -0.697 -0.125 2.656
102 HE3 LYS 18 2HE LYS 18 -2.229 0.130 1.821
103 HZ1 LYS 18 3HZ LYS 18 -1.227 -2.508 1.413
104 HZ2 LYS 18 1HZ LYS 18 -2.731 -2.010 2.007
105 HZ3 LYS 18 2HZ LYS 18 -1.417 -2.171 3.060
106 H ALA 19 H ALA 19 -3.451 -1.036 -1.721
107 HA ALA 19 HA ALA 19 -4.924 0.365 -3.846
108 HB1 ALA 19 3HB ALA 19 -6.914 -1.056 -2.691
109 HB2 ALA 19 1HB ALA 19 -6.054 -1.556 -4.148
110 HB3 ALA 19 2HB ALA 19 -5.581 -2.204 -2.577
111 H PHE 20 H PHE 20 -6.688 1.675 -3.103
112 HA PHE 20 HA PHE 20 -7.078 2.098 -0.287
113 HB2 PHE 20 1HB PHE 20 -5.701 4.224 -1.940
114 HB3 PHE 20 2HB PHE 20 -6.377 4.490 -0.336
115 HD1 PHE 20 HD2 PHE 20 -5.343 3.474 1.633
116 HD2 PHE 20 HD1 PHE 20 -3.636 3.060 -2.245
117 HE1 PHE 20 HE2 PHE 20 -3.222 2.749 2.647
118 HE2 PHE 20 HE1 PHE 20 -1.512 2.334 -1.236
119 HZ PHE 20 HZ PHE 20 -1.303 2.179 1.213
120 H THR 21 H THR 21 -8.957 3.202 0.161
121 HA THR 21 HA THR 21 -10.846 3.401 -1.982
122 HB THR 21 HB THR 21 -11.185 4.300 0.885
123 HG1 THR 21 HG1 THR 21 -12.115 2.193 1.143
124 HG21 THR 21 3HG2 THR 21 -12.961 5.205 -0.352
125 HG22 THR 21 1HG2 THR 21 -13.613 3.704 0.304
126 HG23 THR 21 2HG2 THR 21 -13.091 3.778 -1.379
127 H PHE 22 H PHE 22 -9.102 5.698 0.056
128 HA PHE 22 HA PHE 22 -10.127 7.879 -1.639
129 HB2 PHE 22 1HB PHE 22 -9.350 7.828 1.269
130 HB3 PHE 22 2HB PHE 22 -9.416 9.337 0.364
131 HD1 PHE 22 HD2 PHE 22 -11.510 6.326 1.043
132 HD2 PHE 22 HD1 PHE 22 -11.377 10.529 0.383
133 HE1 PHE 22 HE2 PHE 22 -13.930 6.465 1.463
134 HE2 PHE 22 HE1 PHE 22 -13.797 10.675 0.802
135 HZ PHE 22 HZ PHE 22 -15.077 8.642 1.342
136 H LYS 23 H LYS 23 -8.664 9.558 -2.223
137 HA LYS 23 HA LYS 23 -6.168 8.688 -3.115
138 HB2 LYS 23 1HB LYS 23 -7.242 10.554 -4.178
139 HB3 LYS 23 2HB LYS 23 -7.244 11.476 -2.680
140 HG2 LYS 23 1HG LYS 23 -5.022 12.007 -2.840
141 HG3 LYS 23 2HG LYS 23 -4.640 10.583 -3.811
142 HD2 LYS 23 1HD LYS 23 -6.460 12.632 -4.970
143 HD3 LYS 23 2HD LYS 23 -4.737 13.006 -4.872
144 HE2 LYS 23 1HE LYS 23 -4.152 11.253 -6.287
145 HE3 LYS 23 2HE LYS 23 -5.674 10.403 -6.021
146 HZ1 LYS 23 3HZ LYS 23 -6.651 12.532 -7.137
147 HZ2 LYS 23 1HZ LYS 23 -6.018 11.281 -8.084
148 HZ3 LYS 23 2HZ LYS 23 -5.097 12.669 -7.790
149 H SER 24 H SER 24 -6.800 11.069 -0.530
150 HA SER 24 HA SER 24 -4.352 11.546 0.448
151 HB2 SER 24 1HB SER 24 -5.336 11.760 2.699
152 HB3 SER 24 2HB SER 24 -6.390 12.455 1.467
153 HG SER 24 HG SER 24 -6.931 10.515 3.217
154 H GLN 25 H GLN 25 -6.252 8.649 1.245
155 HA GLN 25 HA GLN 25 -4.490 7.436 3.000
156 HB2 GLN 25 1HB GLN 25 -6.241 6.066 0.951
157 HB3 GLN 25 2HB GLN 25 -5.560 5.319 2.390
158 HG2 GLN 25 1HG GLN 25 -6.848 6.949 3.761
159 HG3 GLN 25 2HG GLN 25 -7.624 7.502 2.278
160 HE21 GLN 25 1HE2 GLN 25 -7.265 4.845 4.509
161 HE22 GLN 25 2HE2 GLN 25 -8.672 3.976 4.009
162 H LEU 26 H LEU 26 -4.536 7.339 -0.534
163 HA LEU 26 HA LEU 26 -2.354 5.504 -0.742
164 HB2 LEU 26 1HB LEU 26 -3.934 5.626 -2.532
165 HB3 LEU 26 2HB LEU 26 -3.657 7.356 -2.727
166 HG LEU 26 HG LEU 26 -1.375 6.874 -3.528
167 HD11 LEU 26 1HD1 LEU 26 -1.975 4.276 -2.499
168 HD12 LEU 26 2HD1 LEU 26 -0.446 4.907 -3.110
169 HD13 LEU 26 3HD1 LEU 26 -1.595 4.155 -4.217
170 HD21 LEU 26 3HD2 LEU 26 -2.676 7.164 -5.361
171 HD22 LEU 26 1HD2 LEU 26 -3.828 5.918 -4.879
172 HD23 LEU 26 2HD2 LEU 26 -2.286 5.460 -5.602
173 H ILE 27 H ILE 27 -2.690 9.005 -0.780
174 HA ILE 27 HA ILE 27 -0.132 9.689 -1.675
175 HB ILE 27 HB ILE 27 -1.670 11.249 0.395
176 HG12 ILE 27 1HG1 ILE 27 -3.286 10.786 -1.287
177 HG13 ILE 27 2HG1 ILE 27 -2.686 12.405 -1.629
178 HG21 ILE 27 1HG2 ILE 27 0.725 11.836 -0.379
179 HG22 ILE 27 2HG2 ILE 27 -0.059 12.363 -1.867
180 HG23 ILE 27 3HG2 ILE 27 -0.492 13.111 -0.330
181 HD11 ILE 27 3HD1 ILE 27 -1.088 11.265 -3.261
182 HD12 ILE 27 1HD1 ILE 27 -2.127 9.852 -3.086
183 HD13 ILE 27 2HD1 ILE 27 -2.792 11.364 -3.706
184 H VAL 28 H VAL 28 -1.315 8.915 1.562
185 HA VAL 28 HA VAL 28 1.069 9.576 2.942
186 HB VAL 28 HB VAL 28 -1.082 7.612 3.746
187 HG11 VAL 28 1HG1 VAL 28 0.395 7.125 5.362
188 HG12 VAL 28 2HG1 VAL 28 1.369 8.560 5.040
189 HG13 VAL 28 3HG1 VAL 28 -0.078 8.682 6.041
190 HG21 VAL 28 3HG2 VAL 28 -2.353 9.470 3.738
191 HG22 VAL 28 1HG2 VAL 28 -1.500 9.836 5.238
192 HG23 VAL 28 2HG2 VAL 28 -0.957 10.548 3.719
193 H HIS 29 H HIS 29 -0.201 6.515 1.669
194 HA HIS 29 HA HIS 29 1.989 4.941 2.567
195 HB2 HIS 29 1HB HIS 29 0.112 3.651 2.160
196 HB3 HIS 29 2HB HIS 29 -0.299 4.526 0.687
197 HD1 HIS 29 HD1 HIS 29 1.768 1.693 1.957
198 HD2 HIS 29 HD2 HIS 29 0.974 3.609 -1.643
199 HE1 HIS 29 HE1 HIS 29 2.701 0.186 0.173
200 H LYS 30 H LYS 30 1.394 6.884 -0.250
201 HA LYS 30 HA LYS 30 3.413 5.745 -1.904
202 HB2 LYS 30 1HB LYS 30 1.794 8.263 -1.959
203 HB3 LYS 30 2HB LYS 30 3.179 8.106 -3.032
204 HG2 LYS 30 1HG LYS 30 2.058 5.833 -3.667
205 HG3 LYS 30 2HG LYS 30 0.607 6.604 -3.022
206 HD2 LYS 30 1HD LYS 30 0.843 8.439 -4.576
207 HD3 LYS 30 2HD LYS 30 2.377 7.789 -5.160
208 HE2 LYS 30 1HE LYS 30 1.056 5.700 -5.789
209 HE3 LYS 30 2HE LYS 30 -0.390 6.674 -5.526
210 HZ1 LYS 30 3HZ LYS 30 -0.086 7.768 -7.433
211 HZ2 LYS 30 1HZ LYS 30 0.958 6.504 -7.853
212 HZ3 LYS 30 2HZ LYS 30 1.582 7.936 -7.204
213 H GLY 31 H GLY 31 3.358 8.271 0.524
214 HA2 GLY 31 1HA GLY 31 5.694 9.640 -0.013
215 HA3 GLY 31 2HA GLY 31 5.076 9.346 1.606
216 H VAL 32 H VAL 32 5.317 6.444 1.381
217 HA VAL 32 HA VAL 32 7.869 6.101 2.460
218 HB VAL 32 HB VAL 32 7.456 3.787 2.495
219 HG11 VAL 32 1HG1 VAL 32 5.645 5.499 3.489
220 HG12 VAL 32 2HG1 VAL 32 4.603 4.546 2.430
221 HG13 VAL 32 3HG1 VAL 32 5.540 3.751 3.696
222 HG21 VAL 32 3HG2 VAL 32 7.106 3.282 0.210
223 HG22 VAL 32 1HG2 VAL 32 5.644 2.769 1.053
224 HG23 VAL 32 2HG2 VAL 32 5.651 4.276 0.137
225 H HIS 33 H HIS 33 6.780 6.080 -0.835
226 HA HIS 33 HA HIS 33 9.322 4.981 -1.776
227 HB2 HIS 33 1HB HIS 33 7.000 5.829 -3.501
228 HB3 HIS 33 2HB HIS 33 8.297 4.705 -3.896
229 HD1 HIS 33 HD1 HIS 33 8.257 2.493 -2.151
230 HD2 HIS 33 HD2 HIS 33 4.717 4.545 -2.869
231 HE1 HIS 33 HE1 HIS 33 6.417 0.898 -1.524
232 H THR 34 H THR 34 7.233 7.752 -2.614
233 HA THR 34 HA THR 34 9.271 9.165 -3.973
234 HB THR 34 HB THR 34 6.954 9.660 -4.449
235 HG1 THR 34 HG1 THR 34 7.088 12.053 -3.865
236 HG21 THR 34 3HG2 THR 34 6.520 11.087 -1.884
237 HG22 THR 34 1HG2 THR 34 6.421 9.327 -1.853
238 HG23 THR 34 2HG2 THR 34 5.367 10.251 -2.923
239 H GLY 35 H GLY 35 11.060 9.126 -2.518
240 HA2 GLY 35 1HA GLY 35 11.886 11.292 -1.286
241 HA3 GLY 35 2HA GLY 35 10.782 10.692 -0.058
242 H VAL 36 H VAL 36 11.218 8.586 0.876
243 HA VAL 36 HA VAL 36 13.944 8.273 1.566
244 HB VAL 36 HB VAL 36 11.627 6.384 2.005
245 HG11 VAL 36 1HG1 VAL 36 13.535 6.040 4.010
246 HG12 VAL 36 2HG1 VAL 36 13.149 4.919 2.702
247 HG13 VAL 36 3HG1 VAL 36 14.451 6.092 2.504
248 HG21 VAL 36 3HG2 VAL 36 12.688 7.841 4.293
249 HG22 VAL 36 1HG2 VAL 36 12.014 8.897 3.052
250 HG23 VAL 36 2HG2 VAL 36 11.020 7.625 3.763
251 H LYS 37 H LYS 37 15.470 6.814 0.929
252 HA LYS 37 HA LYS 37 14.750 4.959 -1.239
253 HB2 LYS 37 1HB LYS 37 16.828 5.480 -2.393
254 HB3 LYS 37 2HB LYS 37 15.872 6.941 -2.182
255 HG2 LYS 37 1HG LYS 37 17.271 7.580 -0.280
256 HG3 LYS 37 2HG LYS 37 18.234 6.118 -0.503
257 HD2 LYS 37 1HD LYS 37 18.987 6.867 -2.652
258 HD3 LYS 37 2HD LYS 37 17.875 8.237 -2.619
259 HE2 LYS 37 1HE LYS 37 19.165 9.424 -1.153
260 HE3 LYS 37 2HE LYS 37 19.828 7.977 -0.396
261 HZ1 LYS 37 3HZ LYS 37 21.638 8.593 -1.565
262 HZ2 LYS 37 1HZ LYS 37 20.755 9.439 -2.734
263 HZ3 LYS 37 2HZ LYS 37 20.871 7.754 -2.817
264 HA PRO 38 HA PRO 38 16.780 1.915 1.208
265 HB2 PRO 38 1HB PRO 38 17.344 0.103 -0.734
266 HB3 PRO 38 2HB PRO 38 15.712 0.362 -0.107
267 HG2 PRO 38 1HG PRO 38 16.969 1.421 -2.608
268 HG3 PRO 38 2HG PRO 38 15.343 0.755 -2.369
269 HD2 PRO 38 1HD PRO 38 15.825 3.417 -2.484
270 HD3 PRO 38 2HD PRO 38 14.530 2.723 -1.486
271 H SER 39 H SER 39 18.807 0.269 0.593
272 HA SER 39 HA SER 39 21.068 2.087 0.468
273 HB2 SER 39 1HB SER 39 20.677 0.052 2.106
274 HB3 SER 39 2HB SER 39 21.388 -0.871 0.782
275 HG SER 39 HG SER 39 22.627 1.467 1.757
276 H GLY 40 H GLY 40 19.987 2.137 -1.960
277 HA2 GLY 40 1HA GLY 40 21.588 2.017 -3.917
278 HA3 GLY 40 2HA GLY 40 21.619 0.291 -3.588
279 HA PRO 41 HA PRO 41 17.991 1.694 -6.406
280 HB2 PRO 41 1HB PRO 41 19.113 1.351 -8.854
281 HB3 PRO 41 2HB PRO 41 19.139 2.895 -7.993
282 HG2 PRO 41 1HG PRO 41 21.277 0.811 -8.211
283 HG3 PRO 41 2HG PRO 41 21.419 2.575 -8.321
284 HD2 PRO 41 1HD PRO 41 22.046 1.201 -6.074
285 HD3 PRO 41 2HD PRO 41 21.382 2.847 -6.033
286 H SER 42 H SER 42 17.265 0.281 -8.451
287 HA SER 42 HA SER 42 16.829 -2.314 -7.499
288 HB2 SER 42 1HB SER 42 16.396 -0.947 -10.126
289 HB3 SER 42 2HB SER 42 16.200 -2.697 -10.031
290 HG SER 42 HG SER 42 14.815 -2.117 -8.109
291 H SER 43 H SER 43 17.310 -4.291 -8.983
292 HA SER 43 HA SER 43 20.193 -4.260 -9.595
293 HB2 SER 43 1HB SER 43 20.131 -6.712 -9.028
294 HB3 SER 43 2HB SER 43 19.812 -5.641 -7.664
295 HG SER 43 HG SER 43 17.566 -6.028 -8.021
296 H GLY 44 H GLY 44 19.836 -3.720 -11.784
297 HA2 GLY 44 1HA GLY 44 18.927 -6.012 -13.389
298 HA3 GLY 44 2HA GLY 44 18.293 -4.411 -13.738
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -4.641 -14.850 -5.671
2 HA2 GLY 1 1HA GLY 1 -5.125 -16.011 -3.302
3 HA3 GLY 1 2HA GLY 1 -3.760 -14.977 -2.907
4 H SER 2 H SER 2 -7.113 -15.159 -3.241
5 HA SER 2 HA SER 2 -7.321 -12.249 -2.870
6 HB2 SER 2 1HB SER 2 -8.052 -12.652 -5.129
7 HB3 SER 2 2HB SER 2 -9.072 -13.994 -4.614
8 HG SER 2 HG SER 2 -9.419 -11.302 -3.785
9 H SER 3 H SER 3 -7.765 -12.166 -0.742
10 HA SER 3 HA SER 3 -9.838 -13.947 0.333
11 HB2 SER 3 1HB SER 3 -8.976 -13.237 2.562
12 HB3 SER 3 2HB SER 3 -7.749 -14.018 1.566
13 HG SER 3 HG SER 3 -7.199 -11.955 2.694
14 H GLY 4 H GLY 4 -8.810 -10.535 0.490
15 HA2 GLY 4 1HA GLY 4 -11.500 -9.790 1.376
16 HA3 GLY 4 2HA GLY 4 -10.084 -8.749 1.376
17 H SER 5 H SER 5 -9.842 -7.334 -0.243
18 HA SER 5 HA SER 5 -10.516 -6.027 -1.999
19 HB2 SER 5 1HB SER 5 -9.209 -8.121 -2.944
20 HB3 SER 5 2HB SER 5 -10.777 -8.506 -3.653
21 HG SER 5 HG SER 5 -10.087 -7.189 -5.156
22 H SER 6 H SER 6 -12.673 -6.716 -0.353
23 HA SER 6 HA SER 6 -14.894 -7.808 -1.635
24 HB2 SER 6 1HB SER 6 -14.567 -5.838 0.608
25 HB3 SER 6 2HB SER 6 -16.175 -6.209 -0.015
26 HG SER 6 HG SER 6 -14.479 -8.342 0.594
27 H GLY 7 H GLY 7 -13.700 -4.473 -1.580
28 HA2 GLY 7 1HA GLY 7 -15.602 -3.867 -3.762
29 HA3 GLY 7 2HA GLY 7 -15.168 -2.696 -2.525
30 H GLU 8 H GLU 8 -14.907 -2.069 -5.185
31 HA GLU 8 HA GLU 8 -12.129 -2.471 -5.938
32 HB2 GLU 8 1HB GLU 8 -14.481 -1.152 -7.272
33 HB3 GLU 8 2HB GLU 8 -12.850 -0.977 -7.903
34 HG2 GLU 8 1HG GLU 8 -13.770 -2.731 -9.126
35 HG3 GLU 8 2HG GLU 8 -12.755 -3.518 -7.919
36 H LYS 9 H LYS 9 -10.532 -1.026 -5.701
37 HA LYS 9 HA LYS 9 -11.217 1.556 -4.471
38 HB2 LYS 9 1HB LYS 9 -8.866 -0.276 -4.242
39 HB3 LYS 9 2HB LYS 9 -8.624 1.446 -3.981
40 HG2 LYS 9 1HG LYS 9 -9.817 1.465 -2.043
41 HG3 LYS 9 2HG LYS 9 -10.857 0.127 -2.539
42 HD2 LYS 9 1HD LYS 9 -8.805 -1.353 -2.325
43 HD3 LYS 9 2HD LYS 9 -8.029 0.009 -1.514
44 HE2 LYS 9 1HE LYS 9 -10.222 -0.036 -0.061
45 HE3 LYS 9 2HE LYS 9 -10.293 -1.709 -0.612
46 HZ1 LYS 9 3HZ LYS 9 -7.690 -0.947 0.321
47 HZ2 LYS 9 1HZ LYS 9 -8.638 -2.284 0.739
48 HZ3 LYS 9 2HZ LYS 9 -8.877 -0.802 1.518
49 HA PRO 10 HA PRO 10 -10.027 3.283 -8.421
50 HB2 PRO 10 1HB PRO 10 -10.601 5.851 -7.755
51 HB3 PRO 10 2HB PRO 10 -11.842 4.674 -8.197
52 HG2 PRO 10 1HG PRO 10 -10.976 5.583 -5.480
53 HG3 PRO 10 2HG PRO 10 -12.615 5.309 -6.098
54 HD2 PRO 10 1HD PRO 10 -11.326 3.508 -4.540
55 HD3 PRO 10 2HD PRO 10 -12.482 3.027 -5.799
56 H TYR 11 H TYR 11 -8.429 3.307 -5.562
57 HA TYR 11 HA TYR 11 -6.260 4.957 -6.665
58 HB2 TYR 11 1HB TYR 11 -7.093 4.896 -3.758
59 HB3 TYR 11 2HB TYR 11 -5.745 5.806 -4.430
60 HD1 TYR 11 HD2 TYR 11 -9.415 5.575 -4.238
61 HD2 TYR 11 HD1 TYR 11 -6.100 7.883 -5.575
62 HE1 TYR 11 HE2 TYR 11 -10.914 7.482 -4.641
63 HE2 TYR 11 HE1 TYR 11 -7.590 9.798 -5.981
64 HH TYR 11 HH TYR 11 -10.770 9.931 -4.812
65 H SER 12 H SER 12 -4.710 3.548 -7.152
66 HA SER 12 HA SER 12 -3.909 1.605 -5.096
67 HB2 SER 12 1HB SER 12 -3.741 0.908 -8.015
68 HB3 SER 12 2HB SER 12 -3.745 -0.166 -6.616
69 HG SER 12 HG SER 12 -5.980 1.436 -7.254
70 H CYS 13 H CYS 13 -1.702 1.112 -5.013
71 HA CYS 13 HA CYS 13 0.016 3.227 -5.940
72 HB2 CYS 13 1HB CYS 13 0.424 2.376 -3.737
73 HB3 CYS 13 2HB CYS 13 0.533 0.723 -4.333
74 H ASN 14 H ASN 14 2.086 2.772 -7.039
75 HA ASN 14 HA ASN 14 1.830 0.570 -8.980
76 HB2 ASN 14 1HB ASN 14 3.108 3.232 -9.601
77 HB3 ASN 14 2HB ASN 14 2.632 1.966 -10.729
78 HD21 ASN 14 1HD2 ASN 14 1.519 4.541 -8.670
79 HD22 ASN 14 2HD2 ASN 14 -0.057 4.683 -9.365
80 H GLU 15 H GLU 15 3.899 2.470 -6.921
81 HA GLU 15 HA GLU 15 6.390 1.490 -7.817
82 HB2 GLU 15 1HB GLU 15 5.784 2.345 -4.992
83 HB3 GLU 15 2HB GLU 15 7.317 2.442 -5.846
84 HG2 GLU 15 1HG GLU 15 5.055 3.928 -7.024
85 HG3 GLU 15 2HG GLU 15 5.694 4.532 -5.496
86 H CYS 16 H CYS 16 4.880 0.723 -4.685
87 HA CYS 16 HA CYS 16 6.145 -1.915 -4.789
88 HB2 CYS 16 1HB CYS 16 5.839 -2.026 -2.426
89 HB3 CYS 16 2HB CYS 16 6.423 -0.404 -2.783
90 H GLY 17 H GLY 17 3.135 -0.430 -5.272
91 HA2 GLY 17 1HA GLY 17 1.210 -1.481 -6.080
92 HA3 GLY 17 2HA GLY 17 1.871 -3.029 -5.576
93 H LYS 18 H LYS 18 -0.612 -1.041 -5.050
94 HA LYS 18 HA LYS 18 -1.454 -2.317 -2.689
95 HB2 LYS 18 1HB LYS 18 0.312 -0.789 -1.746
96 HB3 LYS 18 2HB LYS 18 -0.671 0.571 -2.272
97 HG2 LYS 18 1HG LYS 18 -2.232 0.254 -0.649
98 HG3 LYS 18 2HG LYS 18 -1.965 -1.490 -0.577
99 HD2 LYS 18 1HD LYS 18 0.248 -1.022 0.494
100 HD3 LYS 18 2HD LYS 18 -0.212 0.681 0.569
101 HE2 LYS 18 1HE LYS 18 -1.890 -1.513 1.761
102 HE3 LYS 18 2HE LYS 18 -0.611 -0.701 2.661
103 HZ1 LYS 18 3HZ LYS 18 -2.878 0.236 2.991
104 HZ2 LYS 18 1HZ LYS 18 -2.866 0.732 1.373
105 HZ3 LYS 18 2HZ LYS 18 -1.734 1.364 2.459
106 H ALA 19 H ALA 19 -3.427 -1.101 -1.724
107 HA ALA 19 HA ALA 19 -4.856 0.329 -3.863
108 HB1 ALA 19 3HB ALA 19 -5.908 -1.679 -4.114
109 HB2 ALA 19 1HB ALA 19 -5.653 -2.151 -2.434
110 HB3 ALA 19 2HB ALA 19 -6.911 -0.982 -2.841
111 H PHE 20 H PHE 20 -6.643 1.644 -3.125
112 HA PHE 20 HA PHE 20 -6.954 2.142 -0.305
113 HB2 PHE 20 1HB PHE 20 -5.685 4.234 -2.083
114 HB3 PHE 20 2HB PHE 20 -6.311 4.547 -0.467
115 HD1 PHE 20 HD2 PHE 20 -5.162 3.708 1.497
116 HD2 PHE 20 HD1 PHE 20 -3.632 3.024 -2.415
117 HE1 PHE 20 HE2 PHE 20 -2.992 3.066 2.462
118 HE2 PHE 20 HE1 PHE 20 -1.459 2.380 -1.457
119 HZ PHE 20 HZ PHE 20 -1.136 2.402 0.985
120 H THR 21 H THR 21 -8.867 3.139 0.168
121 HA THR 21 HA THR 21 -10.810 3.277 -1.931
122 HB THR 21 HB THR 21 -11.075 4.099 0.968
123 HG1 THR 21 HG1 THR 21 -10.632 1.915 0.879
124 HG21 THR 21 3HG2 THR 21 -12.964 5.028 0.111
125 HG22 THR 21 1HG2 THR 21 -13.547 3.368 0.230
126 HG23 THR 21 2HG2 THR 21 -12.960 3.988 -1.313
127 H PHE 22 H PHE 22 -8.905 5.585 -0.124
128 HA PHE 22 HA PHE 22 -10.110 7.748 -1.722
129 HB2 PHE 22 1HB PHE 22 -9.451 7.623 1.183
130 HB3 PHE 22 2HB PHE 22 -9.210 9.155 0.351
131 HD1 PHE 22 HD2 PHE 22 -11.684 6.661 1.401
132 HD2 PHE 22 HD1 PHE 22 -11.065 10.461 -0.413
133 HE1 PHE 22 HE2 PHE 22 -14.081 7.160 1.637
134 HE2 PHE 22 HE1 PHE 22 -13.461 10.967 -0.179
135 HZ PHE 22 HZ PHE 22 -14.973 9.315 0.846
136 H LYS 23 H LYS 23 -8.655 9.609 -2.076
137 HA LYS 23 HA LYS 23 -6.167 8.758 -3.119
138 HB2 LYS 23 1HB LYS 23 -7.302 10.599 -4.158
139 HB3 LYS 23 2HB LYS 23 -7.324 11.508 -2.652
140 HG2 LYS 23 1HG LYS 23 -5.148 12.152 -2.844
141 HG3 LYS 23 2HG LYS 23 -4.686 10.714 -3.758
142 HD2 LYS 23 1HD LYS 23 -6.582 12.625 -5.021
143 HD3 LYS 23 2HD LYS 23 -4.886 13.096 -4.903
144 HE2 LYS 23 1HE LYS 23 -4.176 11.312 -6.229
145 HE3 LYS 23 2HE LYS 23 -5.674 10.415 -5.986
146 HZ1 LYS 23 3HZ LYS 23 -5.091 12.589 -7.845
147 HZ2 LYS 23 1HZ LYS 23 -6.649 12.534 -7.188
148 HZ3 LYS 23 2HZ LYS 23 -6.051 11.212 -8.058
149 H SER 24 H SER 24 -6.884 11.016 -0.449
150 HA SER 24 HA SER 24 -4.422 11.590 0.487
151 HB2 SER 24 1HB SER 24 -5.407 11.661 2.782
152 HB3 SER 24 2HB SER 24 -6.405 12.463 1.570
153 HG SER 24 HG SER 24 -6.813 9.993 2.859
154 H GLN 25 H GLN 25 -6.255 8.704 1.503
155 HA GLN 25 HA GLN 25 -4.369 7.523 3.118
156 HB2 GLN 25 1HB GLN 25 -6.268 6.135 1.218
157 HB3 GLN 25 2HB GLN 25 -5.446 5.370 2.571
158 HG2 GLN 25 1HG GLN 25 -6.602 7.155 4.012
159 HG3 GLN 25 2HG GLN 25 -7.643 7.398 2.610
160 HE21 GLN 25 1HE2 GLN 25 -7.983 4.891 1.664
161 HE22 GLN 25 2HE2 GLN 25 -8.801 3.912 2.829
162 H LEU 26 H LEU 26 -4.537 7.550 -0.389
163 HA LEU 26 HA LEU 26 -2.427 5.639 -0.743
164 HB2 LEU 26 1HB LEU 26 -4.041 5.812 -2.475
165 HB3 LEU 26 2HB LEU 26 -3.812 7.555 -2.601
166 HG LEU 26 HG LEU 26 -1.534 7.141 -3.495
167 HD11 LEU 26 1HD1 LEU 26 -1.647 4.552 -4.420
168 HD12 LEU 26 2HD1 LEU 26 -2.227 4.416 -2.760
169 HD13 LEU 26 3HD1 LEU 26 -0.652 5.137 -3.086
170 HD21 LEU 26 3HD2 LEU 26 -3.356 7.564 -5.022
171 HD22 LEU 26 1HD2 LEU 26 -3.825 5.864 -4.982
172 HD23 LEU 26 2HD2 LEU 26 -2.287 6.337 -5.704
173 H ILE 27 H ILE 27 -2.687 9.147 -0.673
174 HA ILE 27 HA ILE 27 -0.130 9.775 -1.638
175 HB ILE 27 HB ILE 27 -1.596 11.370 0.456
176 HG12 ILE 27 1HG1 ILE 27 -3.266 10.980 -1.170
177 HG13 ILE 27 2HG1 ILE 27 -2.592 12.553 -1.584
178 HG21 ILE 27 1HG2 ILE 27 0.110 12.326 -1.831
179 HG22 ILE 27 2HG2 ILE 27 -0.458 13.247 -0.438
180 HG23 ILE 27 3HG2 ILE 27 0.752 11.982 -0.225
181 HD11 ILE 27 3HD1 ILE 27 -1.084 11.237 -3.196
182 HD12 ILE 27 1HD1 ILE 27 -2.249 9.932 -2.975
183 HD13 ILE 27 2HD1 ILE 27 -2.776 11.484 -3.626
184 H VAL 28 H VAL 28 -1.285 9.097 1.638
185 HA VAL 28 HA VAL 28 1.135 9.680 2.973
186 HB VAL 28 HB VAL 28 -1.006 7.731 3.835
187 HG11 VAL 28 1HG1 VAL 28 1.222 9.131 5.286
188 HG12 VAL 28 2HG1 VAL 28 -0.184 8.474 6.126
189 HG13 VAL 28 3HG1 VAL 28 0.876 7.404 5.207
190 HG21 VAL 28 3HG2 VAL 28 -1.415 10.037 5.249
191 HG22 VAL 28 1HG2 VAL 28 -0.979 10.648 3.653
192 HG23 VAL 28 2HG2 VAL 28 -2.336 9.535 3.832
193 H HIS 29 H HIS 29 -0.187 6.683 1.631
194 HA HIS 29 HA HIS 29 1.949 5.032 2.539
195 HB2 HIS 29 1HB HIS 29 0.049 3.793 2.090
196 HB3 HIS 29 2HB HIS 29 -0.332 4.707 0.634
197 HD1 HIS 29 HD1 HIS 29 1.658 1.800 1.857
198 HD2 HIS 29 HD2 HIS 29 0.937 3.811 -1.707
199 HE1 HIS 29 HE1 HIS 29 2.568 0.309 0.048
200 H LYS 30 H LYS 30 1.387 6.974 -0.304
201 HA LYS 30 HA LYS 30 3.431 5.831 -1.916
202 HB2 LYS 30 1HB LYS 30 1.840 8.369 -2.007
203 HB3 LYS 30 2HB LYS 30 3.218 8.164 -3.079
204 HG2 LYS 30 1HG LYS 30 2.079 5.929 -3.716
205 HG3 LYS 30 2HG LYS 30 0.636 6.664 -3.014
206 HD2 LYS 30 1HD LYS 30 0.726 8.485 -4.560
207 HD3 LYS 30 2HD LYS 30 2.311 7.977 -5.149
208 HE2 LYS 30 1HE LYS 30 -0.076 6.172 -5.348
209 HE3 LYS 30 2HE LYS 30 0.230 7.414 -6.561
210 HZ1 LYS 30 3HZ LYS 30 1.548 5.937 -7.535
211 HZ2 LYS 30 1HZ LYS 30 1.493 4.883 -6.212
212 HZ3 LYS 30 2HZ LYS 30 2.630 6.135 -6.250
213 H GLY 31 H GLY 31 3.406 8.152 0.650
214 HA2 GLY 31 1HA GLY 31 5.732 9.599 0.095
215 HA3 GLY 31 2HA GLY 31 5.094 9.293 1.703
216 H VAL 32 H VAL 32 5.323 6.424 1.560
217 HA VAL 32 HA VAL 32 7.835 6.035 2.650
218 HB VAL 32 HB VAL 32 7.427 3.721 2.606
219 HG11 VAL 32 1HG1 VAL 32 5.586 5.382 3.597
220 HG12 VAL 32 2HG1 VAL 32 4.579 4.508 2.442
221 HG13 VAL 32 3HG1 VAL 32 5.443 3.628 3.702
222 HG21 VAL 32 3HG2 VAL 32 5.518 2.870 1.037
223 HG22 VAL 32 1HG2 VAL 32 5.910 4.316 0.106
224 HG23 VAL 32 2HG2 VAL 32 7.149 3.097 0.405
225 H HIS 33 H HIS 33 6.872 6.116 -0.681
226 HA HIS 33 HA HIS 33 9.427 5.017 -1.572
227 HB2 HIS 33 1HB HIS 33 7.237 6.033 -3.369
228 HB3 HIS 33 2HB HIS 33 8.483 4.840 -3.725
229 HD1 HIS 33 HD1 HIS 33 8.205 2.627 -1.952
230 HD2 HIS 33 HD2 HIS 33 4.852 4.843 -3.004
231 HE1 HIS 33 HE1 HIS 33 6.238 1.126 -1.501
232 H THR 34 H THR 34 7.489 7.973 -1.958
233 HA THR 34 HA THR 34 9.072 9.509 -3.536
234 HB THR 34 HB THR 34 8.240 11.491 -2.388
235 HG1 THR 34 HG1 THR 34 8.517 10.659 -0.224
236 HG21 THR 34 3HG2 THR 34 5.834 9.868 -2.073
237 HG22 THR 34 1HG2 THR 34 6.692 9.552 -3.581
238 HG23 THR 34 2HG2 THR 34 6.168 11.190 -3.191
239 H GLY 35 H GLY 35 10.681 11.153 -3.117
240 HA2 GLY 35 1HA GLY 35 12.103 11.254 -0.649
241 HA3 GLY 35 2HA GLY 35 12.945 10.249 -1.818
242 H VAL 36 H VAL 36 14.077 11.189 -3.452
243 HA VAL 36 HA VAL 36 15.209 13.627 -3.245
244 HB VAL 36 HB VAL 36 14.449 12.304 -5.854
245 HG11 VAL 36 1HG1 VAL 36 16.760 13.619 -6.348
246 HG12 VAL 36 2HG1 VAL 36 15.157 14.267 -6.701
247 HG13 VAL 36 3HG1 VAL 36 15.989 14.728 -5.215
248 HG21 VAL 36 3HG2 VAL 36 16.911 11.587 -5.694
249 HG22 VAL 36 1HG2 VAL 36 16.771 11.986 -3.982
250 HG23 VAL 36 2HG2 VAL 36 15.737 10.743 -4.685
251 H LYS 37 H LYS 37 14.869 15.713 -4.024
252 HA LYS 37 HA LYS 37 12.137 16.308 -4.949
253 HB2 LYS 37 1HB LYS 37 13.764 17.678 -2.820
254 HB3 LYS 37 2HB LYS 37 12.458 18.511 -3.652
255 HG2 LYS 37 1HG LYS 37 11.906 15.857 -2.425
256 HG3 LYS 37 2HG LYS 37 12.048 17.273 -1.380
257 HD2 LYS 37 1HD LYS 37 10.385 18.381 -2.994
258 HD3 LYS 37 2HD LYS 37 10.069 16.744 -3.575
259 HE2 LYS 37 1HE LYS 37 9.797 16.248 -1.002
260 HE3 LYS 37 2HE LYS 37 9.466 17.978 -0.931
261 HZ1 LYS 37 3HZ LYS 37 7.820 15.850 -1.911
262 HZ2 LYS 37 1HZ LYS 37 7.961 17.116 -3.024
263 HZ3 LYS 37 2HZ LYS 37 7.393 17.424 -1.461
264 HA PRO 38 HA PRO 38 14.958 18.010 -8.104
265 HB2 PRO 38 1HB PRO 38 13.149 17.813 -10.119
266 HB3 PRO 38 2HB PRO 38 14.153 16.457 -9.593
267 HG2 PRO 38 1HG PRO 38 11.306 17.084 -8.909
268 HG3 PRO 38 2HG PRO 38 12.039 15.524 -9.328
269 HD2 PRO 38 1HD PRO 38 11.507 16.246 -6.772
270 HD3 PRO 38 2HD PRO 38 12.881 15.209 -7.205
271 H SER 39 H SER 39 15.116 20.084 -8.786
272 HA SER 39 HA SER 39 13.421 22.057 -7.725
273 HB2 SER 39 1HB SER 39 15.850 22.324 -8.430
274 HB3 SER 39 2HB SER 39 15.262 22.447 -10.088
275 HG SER 39 HG SER 39 13.789 24.129 -8.915
276 H GLY 40 H GLY 40 11.681 23.120 -8.504
277 HA2 GLY 40 1HA GLY 40 10.977 22.962 -11.315
278 HA3 GLY 40 2HA GLY 40 9.887 22.115 -10.228
279 HA PRO 41 HA PRO 41 9.635 26.851 -9.181
280 HB2 PRO 41 1HB PRO 41 10.613 28.513 -11.093
281 HB3 PRO 41 2HB PRO 41 11.591 27.918 -9.746
282 HG2 PRO 41 1HG PRO 41 11.462 26.939 -12.572
283 HG3 PRO 41 2HG PRO 41 12.881 27.188 -11.538
284 HD2 PRO 41 1HD PRO 41 11.794 24.743 -11.955
285 HD3 PRO 41 2HD PRO 41 12.578 25.191 -10.427
286 H SER 42 H SER 42 7.459 26.364 -9.595
287 HA SER 42 HA SER 42 6.448 26.773 -12.304
288 HB2 SER 42 1HB SER 42 5.706 24.825 -10.858
289 HB3 SER 42 2HB SER 42 4.855 26.000 -9.855
290 HG SER 42 HG SER 42 4.120 24.925 -12.216
291 H SER 43 H SER 43 4.588 28.157 -12.673
292 HA SER 43 HA SER 43 3.668 30.243 -12.689
293 HB2 SER 43 1HB SER 43 3.620 29.629 -9.729
294 HB3 SER 43 2HB SER 43 2.808 31.021 -10.445
295 HG SER 43 HG SER 43 2.344 28.406 -11.397
296 H GLY 44 H GLY 44 6.385 30.359 -12.963
297 HA2 GLY 44 1HA GLY 44 7.756 32.289 -13.102
298 HA3 GLY 44 2HA GLY 44 6.959 32.927 -11.671
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -15.032 8.156 10.352
2 HA2 GLY 1 1HA GLY 1 -16.403 7.626 7.982
3 HA3 GLY 1 2HA GLY 1 -14.688 7.619 7.596
4 H SER 2 H SER 2 -16.885 5.501 7.797
5 HA SER 2 HA SER 2 -15.493 3.678 9.644
6 HB2 SER 2 1HB SER 2 -18.319 3.520 8.567
7 HB3 SER 2 2HB SER 2 -17.578 2.356 9.665
8 HG SER 2 HG SER 2 -18.278 3.627 11.177
9 H SER 3 H SER 3 -14.977 1.581 8.967
10 HA SER 3 HA SER 3 -15.160 1.088 6.072
11 HB2 SER 3 1HB SER 3 -12.886 0.273 6.020
12 HB3 SER 3 2HB SER 3 -12.877 1.889 6.725
13 HG SER 3 HG SER 3 -12.964 -0.472 8.286
14 H GLY 4 H GLY 4 -14.921 -1.191 5.470
15 HA2 GLY 4 1HA GLY 4 -14.850 -3.332 7.238
16 HA3 GLY 4 2HA GLY 4 -16.537 -2.860 7.099
17 H SER 5 H SER 5 -16.915 -2.267 4.533
18 HA SER 5 HA SER 5 -15.967 -4.611 3.026
19 HB2 SER 5 1HB SER 5 -18.286 -4.978 3.835
20 HB3 SER 5 2HB SER 5 -18.791 -3.518 2.984
21 HG SER 5 HG SER 5 -17.768 -4.687 1.085
22 H SER 6 H SER 6 -14.877 -3.972 1.302
23 HA SER 6 HA SER 6 -15.784 -1.563 -0.130
24 HB2 SER 6 1HB SER 6 -13.674 -1.191 1.197
25 HB3 SER 6 2HB SER 6 -12.892 -2.396 0.175
26 HG SER 6 HG SER 6 -12.641 -0.153 -0.501
27 H GLY 7 H GLY 7 -15.349 -1.527 -2.406
28 HA2 GLY 7 1HA GLY 7 -15.239 -4.243 -3.537
29 HA3 GLY 7 2HA GLY 7 -15.989 -2.851 -4.305
30 H GLU 8 H GLU 8 -14.800 -1.565 -5.629
31 HA GLU 8 HA GLU 8 -12.027 -2.421 -6.098
32 HB2 GLU 8 1HB GLU 8 -14.082 -1.136 -7.888
33 HB3 GLU 8 2HB GLU 8 -12.377 -1.191 -8.315
34 HG2 GLU 8 1HG GLU 8 -12.386 -3.458 -8.641
35 HG3 GLU 8 2HG GLU 8 -13.753 -3.718 -7.559
36 H LYS 9 H LYS 9 -10.547 -1.152 -5.214
37 HA LYS 9 HA LYS 9 -11.120 1.567 -4.469
38 HB2 LYS 9 1HB LYS 9 -8.779 -0.275 -4.175
39 HB3 LYS 9 2HB LYS 9 -8.551 1.451 -3.927
40 HG2 LYS 9 1HG LYS 9 -9.849 1.492 -2.034
41 HG3 LYS 9 2HG LYS 9 -10.769 0.061 -2.503
42 HD2 LYS 9 1HD LYS 9 -8.777 -1.327 -2.096
43 HD3 LYS 9 2HD LYS 9 -7.894 0.113 -1.583
44 HE2 LYS 9 1HE LYS 9 -8.577 -0.677 0.450
45 HE3 LYS 9 2HE LYS 9 -9.941 0.367 0.056
46 HZ1 LYS 9 3HZ LYS 9 -9.882 -2.455 0.430
47 HZ2 LYS 9 1HZ LYS 9 -10.553 -2.055 -1.071
48 HZ3 LYS 9 2HZ LYS 9 -11.212 -1.412 0.348
49 HA PRO 10 HA PRO 10 -9.867 3.118 -8.478
50 HB2 PRO 10 1HB PRO 10 -10.471 5.709 -7.937
51 HB3 PRO 10 2HB PRO 10 -11.695 4.505 -8.357
52 HG2 PRO 10 1HG PRO 10 -10.898 5.536 -5.662
53 HG3 PRO 10 2HG PRO 10 -12.520 5.225 -6.306
54 HD2 PRO 10 1HD PRO 10 -11.258 3.501 -4.642
55 HD3 PRO 10 2HD PRO 10 -12.382 2.959 -5.904
56 H TYR 11 H TYR 11 -8.338 3.278 -5.585
57 HA TYR 11 HA TYR 11 -6.163 4.915 -6.701
58 HB2 TYR 11 1HB TYR 11 -7.042 4.906 -3.806
59 HB3 TYR 11 2HB TYR 11 -5.693 5.816 -4.476
60 HD1 TYR 11 HD2 TYR 11 -9.368 5.534 -4.380
61 HD2 TYR 11 HD1 TYR 11 -6.045 7.879 -5.631
62 HE1 TYR 11 HE2 TYR 11 -10.880 7.416 -4.848
63 HE2 TYR 11 HE1 TYR 11 -7.548 9.768 -6.102
64 HH TYR 11 HH TYR 11 -10.595 10.022 -4.956
65 H SER 12 H SER 12 -4.552 3.555 -7.103
66 HA SER 12 HA SER 12 -3.820 1.606 -5.024
67 HB2 SER 12 1HB SER 12 -3.134 0.049 -6.875
68 HB3 SER 12 2HB SER 12 -4.873 0.320 -6.766
69 HG SER 12 HG SER 12 -3.149 0.901 -8.791
70 H CYS 13 H CYS 13 -1.565 0.962 -5.052
71 HA CYS 13 HA CYS 13 0.149 3.209 -5.710
72 HB2 CYS 13 1HB CYS 13 0.339 2.128 -3.506
73 HB3 CYS 13 2HB CYS 13 0.779 0.613 -4.288
74 H ASN 14 H ASN 14 1.857 3.179 -7.128
75 HA ASN 14 HA ASN 14 1.898 0.915 -9.005
76 HB2 ASN 14 1HB ASN 14 3.171 3.530 -9.674
77 HB3 ASN 14 2HB ASN 14 2.356 2.378 -10.727
78 HD21 ASN 14 1HD2 ASN 14 0.067 2.186 -8.884
79 HD22 ASN 14 2HD2 ASN 14 -0.846 3.631 -9.133
80 H GLU 15 H GLU 15 3.659 2.392 -6.549
81 HA GLU 15 HA GLU 15 6.283 1.729 -7.571
82 HB2 GLU 15 1HB GLU 15 5.725 2.438 -4.711
83 HB3 GLU 15 2HB GLU 15 7.152 2.782 -5.679
84 HG2 GLU 15 1HG GLU 15 4.595 4.016 -6.523
85 HG3 GLU 15 2HG GLU 15 5.366 4.638 -5.065
86 H CYS 16 H CYS 16 4.681 0.836 -4.513
87 HA CYS 16 HA CYS 16 6.084 -1.731 -4.597
88 HB2 CYS 16 1HB CYS 16 5.818 -1.859 -2.279
89 HB3 CYS 16 2HB CYS 16 6.062 -0.137 -2.556
90 H GLY 17 H GLY 17 3.013 -0.378 -5.156
91 HA2 GLY 17 1HA GLY 17 1.182 -1.499 -6.086
92 HA3 GLY 17 2HA GLY 17 1.907 -3.028 -5.612
93 H LYS 18 H LYS 18 -0.635 -1.040 -5.058
94 HA LYS 18 HA LYS 18 -1.591 -2.506 -2.856
95 HB2 LYS 18 1HB LYS 18 0.164 -1.100 -1.717
96 HB3 LYS 18 2HB LYS 18 -0.785 0.317 -2.146
97 HG2 LYS 18 1HG LYS 18 -2.402 -0.125 -0.612
98 HG3 LYS 18 2HG LYS 18 -2.164 -1.872 -0.699
99 HD2 LYS 18 1HD LYS 18 0.099 -1.423 0.422
100 HD3 LYS 18 2HD LYS 18 -0.554 0.173 0.800
101 HE2 LYS 18 1HE LYS 18 -1.048 -1.094 2.694
102 HE3 LYS 18 2HE LYS 18 -2.555 -1.101 1.781
103 HZ1 LYS 18 3HZ LYS 18 -1.239 -3.278 0.841
104 HZ2 LYS 18 1HZ LYS 18 -2.461 -3.300 2.011
105 HZ3 LYS 18 2HZ LYS 18 -0.837 -3.288 2.484
106 H ALA 19 H ALA 19 -3.573 -1.321 -1.851
107 HA ALA 19 HA ALA 19 -4.911 0.260 -3.946
108 HB1 ALA 19 3HB ALA 19 -7.026 -0.996 -3.022
109 HB2 ALA 19 1HB ALA 19 -6.002 -1.730 -4.256
110 HB3 ALA 19 2HB ALA 19 -5.833 -2.214 -2.568
111 H PHE 20 H PHE 20 -6.660 1.615 -3.192
112 HA PHE 20 HA PHE 20 -6.986 2.047 -0.362
113 HB2 PHE 20 1HB PHE 20 -5.637 4.149 -2.069
114 HB3 PHE 20 2HB PHE 20 -6.258 4.427 -0.445
115 HD1 PHE 20 HD1 PHE 20 -3.649 2.811 -2.435
116 HD2 PHE 20 HD2 PHE 20 -5.115 3.560 1.490
117 HE1 PHE 20 HE1 PHE 20 -1.501 2.066 -1.494
118 HE2 PHE 20 HE2 PHE 20 -2.970 2.817 2.437
119 HZ PHE 20 HZ PHE 20 -1.159 2.070 0.944
120 H THR 21 H THR 21 -8.887 3.048 0.112
121 HA THR 21 HA THR 21 -10.795 3.321 -1.999
122 HB THR 21 HB THR 21 -11.197 4.242 0.843
123 HG1 THR 21 HG1 THR 21 -10.712 2.209 1.290
124 HG21 THR 21 3HG2 THR 21 -13.353 4.428 0.290
125 HG22 THR 21 1HG2 THR 21 -13.366 2.841 -0.476
126 HG23 THR 21 2HG2 THR 21 -12.848 4.257 -1.391
127 H PHE 22 H PHE 22 -9.011 5.559 0.064
128 HA PHE 22 HA PHE 22 -10.089 7.790 -1.532
129 HB2 PHE 22 1HB PHE 22 -9.375 7.561 1.360
130 HB3 PHE 22 2HB PHE 22 -9.174 9.119 0.564
131 HD1 PHE 22 HD1 PHE 22 -11.257 9.916 -0.832
132 HD2 PHE 22 HD2 PHE 22 -11.397 7.073 2.332
133 HE1 PHE 22 HE1 PHE 22 -13.652 10.385 -0.521
134 HE2 PHE 22 HE2 PHE 22 -13.792 7.537 2.648
135 HZ PHE 22 HZ PHE 22 -14.923 9.194 1.221
136 H LYS 23 H LYS 23 -8.652 9.467 -2.143
137 HA LYS 23 HA LYS 23 -6.149 8.602 -3.064
138 HB2 LYS 23 1HB LYS 23 -7.401 10.437 -4.106
139 HB3 LYS 23 2HB LYS 23 -7.159 11.426 -2.673
140 HG2 LYS 23 1HG LYS 23 -4.986 11.873 -3.175
141 HG3 LYS 23 2HG LYS 23 -4.750 10.342 -4.022
142 HD2 LYS 23 1HD LYS 23 -4.690 12.108 -5.640
143 HD3 LYS 23 2HD LYS 23 -6.199 11.218 -5.856
144 HE2 LYS 23 1HE LYS 23 -6.236 13.560 -4.035
145 HE3 LYS 23 2HE LYS 23 -6.102 13.879 -5.764
146 HZ1 LYS 23 3HZ LYS 23 -8.163 12.997 -6.180
147 HZ2 LYS 23 1HZ LYS 23 -8.423 13.685 -4.656
148 HZ3 LYS 23 2HZ LYS 23 -8.163 12.020 -4.799
149 H SER 24 H SER 24 -6.864 10.988 -0.507
150 HA SER 24 HA SER 24 -4.428 11.617 0.425
151 HB2 SER 24 1HB SER 24 -5.406 11.729 2.718
152 HB3 SER 24 2HB SER 24 -6.435 12.466 1.489
153 HG SER 24 HG SER 24 -6.874 10.257 3.066
154 H GLN 25 H GLN 25 -6.170 8.658 1.364
155 HA GLN 25 HA GLN 25 -4.264 7.572 3.056
156 HB2 GLN 25 1HB GLN 25 -6.114 6.099 1.173
157 HB3 GLN 25 2HB GLN 25 -5.285 5.387 2.551
158 HG2 GLN 25 1HG GLN 25 -6.500 7.026 4.006
159 HG3 GLN 25 2HG GLN 25 -7.448 7.473 2.589
160 HE21 GLN 25 1HE2 GLN 25 -8.606 6.472 4.891
161 HE22 GLN 25 2HE2 GLN 25 -9.272 4.913 4.557
162 H LEU 26 H LEU 26 -4.482 7.433 -0.460
163 HA LEU 26 HA LEU 26 -2.314 5.606 -0.784
164 HB2 LEU 26 1HB LEU 26 -3.991 5.797 -2.497
165 HB3 LEU 26 2HB LEU 26 -3.646 7.513 -2.700
166 HG LEU 26 HG LEU 26 -1.418 6.932 -3.586
167 HD11 LEU 26 1HD1 LEU 26 -2.236 4.277 -2.694
168 HD12 LEU 26 2HD1 LEU 26 -0.626 4.929 -2.994
169 HD13 LEU 26 3HD1 LEU 26 -1.588 4.307 -4.334
170 HD21 LEU 26 3HD2 LEU 26 -3.650 5.520 -5.039
171 HD22 LEU 26 1HD2 LEU 26 -2.170 6.174 -5.740
172 HD23 LEU 26 2HD2 LEU 26 -3.381 7.263 -5.064
173 H ILE 27 H ILE 27 -2.631 9.112 -0.774
174 HA ILE 27 HA ILE 27 -0.084 9.771 -1.736
175 HB ILE 27 HB ILE 27 -1.548 11.369 0.355
176 HG12 ILE 27 1HG1 ILE 27 -3.230 10.864 -1.259
177 HG13 ILE 27 2HG1 ILE 27 -2.662 12.489 -1.625
178 HG21 ILE 27 1HG2 ILE 27 0.718 12.094 -0.285
179 HG22 ILE 27 2HG2 ILE 27 0.187 12.213 -1.962
180 HG23 ILE 27 3HG2 ILE 27 -0.518 13.268 -0.737
181 HD11 ILE 27 3HD1 ILE 27 -2.880 11.391 -3.687
182 HD12 ILE 27 1HD1 ILE 27 -1.150 11.426 -3.345
183 HD13 ILE 27 2HD1 ILE 27 -2.069 9.942 -3.092
184 H VAL 28 H VAL 28 -1.223 9.108 1.549
185 HA VAL 28 HA VAL 28 1.222 9.718 2.846
186 HB VAL 28 HB VAL 28 -0.953 7.849 3.795
187 HG11 VAL 28 1HG1 VAL 28 1.152 7.646 5.028
188 HG12 VAL 28 2HG1 VAL 28 1.141 9.384 5.332
189 HG13 VAL 28 3HG1 VAL 28 -0.115 8.358 6.026
190 HG21 VAL 28 3HG2 VAL 28 -1.336 10.168 5.149
191 HG22 VAL 28 1HG2 VAL 28 -0.820 10.776 3.576
192 HG23 VAL 28 2HG2 VAL 28 -2.219 9.708 3.693
193 H HIS 29 H HIS 29 -0.190 6.694 1.655
194 HA HIS 29 HA HIS 29 1.936 5.042 2.580
195 HB2 HIS 29 1HB HIS 29 0.029 3.798 2.226
196 HB3 HIS 29 2HB HIS 29 -0.413 4.691 0.773
197 HD1 HIS 29 HD1 HIS 29 1.512 1.741 1.949
198 HD2 HIS 29 HD2 HIS 29 0.825 3.781 -1.605
199 HE1 HIS 29 HE1 HIS 29 2.342 0.218 0.128
200 H LYS 30 H LYS 30 1.424 6.981 -0.243
201 HA LYS 30 HA LYS 30 3.386 5.698 -1.883
202 HB2 LYS 30 1HB LYS 30 1.787 8.218 -2.042
203 HB3 LYS 30 2HB LYS 30 3.189 8.039 -3.089
204 HG2 LYS 30 1HG LYS 30 2.122 5.771 -3.728
205 HG3 LYS 30 2HG LYS 30 0.648 6.469 -3.052
206 HD2 LYS 30 1HD LYS 30 0.791 8.337 -4.591
207 HD3 LYS 30 2HD LYS 30 2.324 7.731 -5.222
208 HE2 LYS 30 1HE LYS 30 1.287 5.859 -6.216
209 HE3 LYS 30 2HE LYS 30 -0.205 6.108 -5.311
210 HZ1 LYS 30 3HZ LYS 30 -0.602 8.123 -6.567
211 HZ2 LYS 30 1HZ LYS 30 -0.416 6.812 -7.619
212 HZ3 LYS 30 2HZ LYS 30 0.846 7.920 -7.417
213 H GLY 31 H GLY 31 3.382 8.353 0.410
214 HA2 GLY 31 1HA GLY 31 5.780 9.600 -0.210
215 HA3 GLY 31 2HA GLY 31 5.112 9.483 1.411
216 H VAL 32 H VAL 32 5.241 6.536 1.383
217 HA VAL 32 HA VAL 32 7.732 6.192 2.602
218 HB VAL 32 HB VAL 32 7.244 3.887 2.756
219 HG11 VAL 32 1HG1 VAL 32 5.326 4.016 3.939
220 HG12 VAL 32 2HG1 VAL 32 5.482 5.741 3.601
221 HG13 VAL 32 3HG1 VAL 32 4.426 4.738 2.605
222 HG21 VAL 32 3HG2 VAL 32 5.679 4.342 0.254
223 HG22 VAL 32 1HG2 VAL 32 6.873 3.097 0.623
224 HG23 VAL 32 2HG2 VAL 32 5.253 2.999 1.314
225 H HIS 33 H HIS 33 6.778 5.974 -0.726
226 HA HIS 33 HA HIS 33 9.326 4.743 -1.473
227 HB2 HIS 33 1HB HIS 33 7.164 5.492 -3.418
228 HB3 HIS 33 2HB HIS 33 8.374 4.219 -3.546
229 HD1 HIS 33 HD1 HIS 33 7.997 2.274 -1.554
230 HD2 HIS 33 HD2 HIS 33 4.729 4.520 -2.794
231 HE1 HIS 33 HE1 HIS 33 5.972 0.948 -0.873
232 H THR 34 H THR 34 7.339 7.566 -2.347
233 HA THR 34 HA THR 34 8.910 8.896 -4.090
234 HB THR 34 HB THR 34 8.026 10.995 -3.283
235 HG1 THR 34 HG1 THR 34 7.780 9.551 -0.898
236 HG21 THR 34 3HG2 THR 34 5.721 9.293 -2.594
237 HG22 THR 34 1HG2 THR 34 6.501 8.923 -4.130
238 HG23 THR 34 2HG2 THR 34 5.878 10.544 -3.826
239 H GLY 35 H GLY 35 10.981 9.458 -4.139
240 HA2 GLY 35 1HA GLY 35 12.395 11.066 -2.521
241 HA3 GLY 35 2HA GLY 35 12.529 9.526 -1.685
242 H VAL 36 H VAL 36 14.854 10.456 -2.330
243 HA VAL 36 HA VAL 36 15.926 8.577 -4.152
244 HB VAL 36 HB VAL 36 14.980 10.176 -5.800
245 HG11 VAL 36 1HG1 VAL 36 15.066 12.337 -5.238
246 HG12 VAL 36 2HG1 VAL 36 16.389 12.078 -4.099
247 HG13 VAL 36 3HG1 VAL 36 16.731 12.291 -5.817
248 HG21 VAL 36 3HG2 VAL 36 17.143 8.801 -6.083
249 HG22 VAL 36 1HG2 VAL 36 16.813 10.096 -7.234
250 HG23 VAL 36 2HG2 VAL 36 17.970 10.350 -5.927
251 H LYS 37 H LYS 37 18.209 8.552 -4.156
252 HA LYS 37 HA LYS 37 19.701 10.579 -2.763
253 HB2 LYS 37 1HB LYS 37 18.680 9.208 -0.921
254 HB3 LYS 37 2HB LYS 37 19.577 7.824 -1.531
255 HG2 LYS 37 1HG LYS 37 20.988 8.533 0.110
256 HG3 LYS 37 2HG LYS 37 21.628 9.443 -1.260
257 HD2 LYS 37 1HD LYS 37 20.279 11.383 -0.576
258 HD3 LYS 37 2HD LYS 37 19.689 10.469 0.814
259 HE2 LYS 37 1HE LYS 37 21.756 10.498 1.868
260 HE3 LYS 37 2HE LYS 37 22.628 10.812 0.368
261 HZ1 LYS 37 3HZ LYS 37 21.696 12.661 2.259
262 HZ2 LYS 37 1HZ LYS 37 20.877 12.942 0.806
263 HZ3 LYS 37 2HZ LYS 37 22.568 12.959 0.841
264 HA PRO 38 HA PRO 38 22.666 8.961 -5.619
265 HB2 PRO 38 1HB PRO 38 24.802 10.393 -4.750
266 HB3 PRO 38 2HB PRO 38 23.500 11.100 -5.714
267 HG2 PRO 38 1HG PRO 38 23.935 11.201 -2.754
268 HG3 PRO 38 2HG PRO 38 23.433 12.497 -3.856
269 HD2 PRO 38 1HD PRO 38 21.677 11.148 -2.297
270 HD3 PRO 38 2HD PRO 38 21.241 11.785 -3.896
271 H SER 39 H SER 39 23.253 9.028 -2.143
272 HA SER 39 HA SER 39 25.508 7.288 -2.199
273 HB2 SER 39 1HB SER 39 23.630 8.099 0.028
274 HB3 SER 39 2HB SER 39 25.046 7.077 0.275
275 HG SER 39 HG SER 39 25.241 9.598 -0.983
276 H GLY 40 H GLY 40 22.115 6.773 -1.214
277 HA2 GLY 40 1HA GLY 40 20.788 4.896 -1.451
278 HA3 GLY 40 2HA GLY 40 22.082 4.151 -2.378
279 HA PRO 41 HA PRO 41 21.787 1.815 1.575
280 HB2 PRO 41 1HB PRO 41 22.236 -0.604 0.428
281 HB3 PRO 41 2HB PRO 41 20.633 0.134 0.517
282 HG2 PRO 41 1HG PRO 41 22.563 0.069 -1.770
283 HG3 PRO 41 2HG PRO 41 20.808 -0.180 -1.780
284 HD2 PRO 41 1HD PRO 41 21.951 2.165 -2.505
285 HD3 PRO 41 2HD PRO 41 20.361 2.081 -1.721
286 H SER 42 H SER 42 23.463 1.140 2.837
287 HA SER 42 HA SER 42 26.030 0.484 1.645
288 HB2 SER 42 1HB SER 42 27.225 2.162 3.066
289 HB3 SER 42 2HB SER 42 26.224 2.890 1.810
290 HG SER 42 HG SER 42 24.581 3.096 3.488
291 H SER 43 H SER 43 27.378 -0.696 2.997
292 HA SER 43 HA SER 43 26.117 -1.605 5.497
293 HB2 SER 43 1HB SER 43 26.662 -3.197 3.462
294 HB3 SER 43 2HB SER 43 28.285 -3.166 4.151
295 HG SER 43 HG SER 43 26.811 -4.863 4.929
296 H GLY 44 H GLY 44 27.499 -2.093 7.305
297 HA2 GLY 44 1HA GLY 44 29.933 -0.421 7.310
298 HA3 GLY 44 2HA GLY 44 28.910 -0.684 8.714
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -12.162 -16.481 3.225
2 HA2 GLY 1 1HA GLY 1 -12.774 -16.701 0.655
3 HA3 GLY 1 2HA GLY 1 -14.047 -17.690 1.354
4 H SER 2 H SER 2 -13.887 -14.972 -0.072
5 HA SER 2 HA SER 2 -14.711 -12.830 0.174
6 HB2 SER 2 1HB SER 2 -17.091 -12.847 0.553
7 HB3 SER 2 2HB SER 2 -16.669 -14.329 -0.303
8 HG SER 2 HG SER 2 -17.574 -13.968 2.300
9 H SER 3 H SER 3 -12.960 -13.324 2.261
10 HA SER 3 HA SER 3 -14.202 -12.662 4.773
11 HB2 SER 3 1HB SER 3 -11.981 -12.729 5.696
12 HB3 SER 3 2HB SER 3 -12.128 -14.071 4.561
13 HG SER 3 HG SER 3 -10.337 -13.224 3.815
14 H GLY 4 H GLY 4 -12.211 -10.977 2.373
15 HA2 GLY 4 1HA GLY 4 -13.403 -8.466 2.911
16 HA3 GLY 4 2HA GLY 4 -11.846 -8.568 3.720
17 H SER 5 H SER 5 -11.122 -6.831 2.385
18 HA SER 5 HA SER 5 -10.347 -5.839 0.453
19 HB2 SER 5 1HB SER 5 -8.420 -6.984 -0.413
20 HB3 SER 5 2HB SER 5 -8.512 -7.339 1.312
21 HG SER 5 HG SER 5 -9.850 -9.248 0.336
22 H SER 6 H SER 6 -12.893 -6.756 -0.041
23 HA SER 6 HA SER 6 -12.672 -7.831 -2.777
24 HB2 SER 6 1HB SER 6 -14.984 -8.714 -2.456
25 HB3 SER 6 2HB SER 6 -13.808 -9.437 -1.360
26 HG SER 6 HG SER 6 -15.486 -7.253 -0.681
27 H GLY 7 H GLY 7 -12.372 -5.118 -2.322
28 HA2 GLY 7 1HA GLY 7 -14.841 -4.088 -3.558
29 HA3 GLY 7 2HA GLY 7 -14.090 -3.215 -2.230
30 H GLU 8 H GLU 8 -14.594 -2.408 -5.026
31 HA GLU 8 HA GLU 8 -12.028 -2.303 -6.315
32 HB2 GLU 8 1HB GLU 8 -14.548 -0.747 -6.925
33 HB3 GLU 8 2HB GLU 8 -13.145 -0.898 -7.973
34 HG2 GLU 8 1HG GLU 8 -13.575 -3.402 -7.928
35 HG3 GLU 8 2HG GLU 8 -15.139 -3.005 -7.217
36 H LYS 9 H LYS 9 -10.498 -0.791 -6.134
37 HA LYS 9 HA LYS 9 -11.152 1.669 -4.647
38 HB2 LYS 9 1HB LYS 9 -8.850 -0.214 -4.415
39 HB3 LYS 9 2HB LYS 9 -8.551 1.497 -4.143
40 HG2 LYS 9 1HG LYS 9 -9.861 1.565 -2.250
41 HG3 LYS 9 2HG LYS 9 -10.803 0.149 -2.724
42 HD2 LYS 9 1HD LYS 9 -8.777 -1.246 -2.367
43 HD3 LYS 9 2HD LYS 9 -7.944 0.187 -1.759
44 HE2 LYS 9 1HE LYS 9 -9.392 0.353 0.102
45 HE3 LYS 9 2HE LYS 9 -10.532 -0.800 -0.588
46 HZ1 LYS 9 3HZ LYS 9 -8.865 -1.535 1.250
47 HZ2 LYS 9 1HZ LYS 9 -7.783 -1.673 -0.043
48 HZ3 LYS 9 2HZ LYS 9 -9.215 -2.572 -0.041
49 HA PRO 10 HA PRO 10 -9.875 3.500 -8.523
50 HB2 PRO 10 1HB PRO 10 -10.440 6.053 -7.792
51 HB3 PRO 10 2HB PRO 10 -11.682 4.900 -8.292
52 HG2 PRO 10 1HG PRO 10 -10.860 5.720 -5.533
53 HG3 PRO 10 2HG PRO 10 -12.490 5.479 -6.190
54 HD2 PRO 10 1HD PRO 10 -11.245 3.622 -4.662
55 HD3 PRO 10 2HD PRO 10 -12.382 3.189 -5.956
56 H TYR 11 H TYR 11 -8.334 3.430 -5.632
57 HA TYR 11 HA TYR 11 -6.125 5.081 -6.650
58 HB2 TYR 11 1HB TYR 11 -7.023 4.976 -3.763
59 HB3 TYR 11 2HB TYR 11 -5.654 5.886 -4.390
60 HD1 TYR 11 HD2 TYR 11 -9.324 5.690 -4.256
61 HD2 TYR 11 HD1 TYR 11 -5.971 7.979 -5.528
62 HE1 TYR 11 HE2 TYR 11 -10.799 7.618 -4.656
63 HE2 TYR 11 HE1 TYR 11 -7.435 9.913 -5.930
64 HH TYR 11 HH TYR 11 -10.078 10.137 -6.484
65 H SER 12 H SER 12 -4.606 3.636 -7.147
66 HA SER 12 HA SER 12 -3.879 1.644 -5.107
67 HB2 SER 12 1HB SER 12 -3.607 1.028 -8.034
68 HB3 SER 12 2HB SER 12 -3.687 -0.085 -6.668
69 HG SER 12 HG SER 12 -5.679 0.821 -8.201
70 H CYS 13 H CYS 13 -1.675 1.082 -5.006
71 HA CYS 13 HA CYS 13 0.096 3.216 -5.806
72 HB2 CYS 13 1HB CYS 13 0.417 2.324 -3.605
73 HB3 CYS 13 2HB CYS 13 0.522 0.679 -4.223
74 H ASN 14 H ASN 14 2.154 2.811 -6.891
75 HA ASN 14 HA ASN 14 1.954 0.633 -8.866
76 HB2 ASN 14 1HB ASN 14 3.324 3.263 -9.398
77 HB3 ASN 14 2HB ASN 14 2.799 2.049 -10.560
78 HD21 ASN 14 1HD2 ASN 14 2.125 5.004 -9.372
79 HD22 ASN 14 2HD2 ASN 14 0.434 5.089 -9.715
80 H GLU 15 H GLU 15 4.052 2.572 -6.825
81 HA GLU 15 HA GLU 15 6.534 1.578 -7.607
82 HB2 GLU 15 1HB GLU 15 5.773 2.290 -4.774
83 HB3 GLU 15 2HB GLU 15 7.372 2.361 -5.502
84 HG2 GLU 15 1HG GLU 15 5.268 3.987 -6.782
85 HG3 GLU 15 2HG GLU 15 5.804 4.498 -5.183
86 H CYS 16 H CYS 16 4.949 0.621 -4.568
87 HA CYS 16 HA CYS 16 6.180 -2.025 -4.839
88 HB2 CYS 16 1HB CYS 16 5.878 -2.279 -2.478
89 HB3 CYS 16 2HB CYS 16 6.532 -0.667 -2.749
90 H GLY 17 H GLY 17 3.202 -0.452 -5.199
91 HA2 GLY 17 1HA GLY 17 1.262 -1.439 -6.073
92 HA3 GLY 17 2HA GLY 17 1.874 -3.015 -5.593
93 H LYS 18 H LYS 18 -0.588 -1.040 -5.070
94 HA LYS 18 HA LYS 18 -1.437 -2.305 -2.705
95 HB2 LYS 18 1HB LYS 18 0.322 -0.746 -1.778
96 HB3 LYS 18 2HB LYS 18 -0.695 0.593 -2.295
97 HG2 LYS 18 1HG LYS 18 -2.241 0.235 -0.664
98 HG3 LYS 18 2HG LYS 18 -1.928 -1.501 -0.593
99 HD2 LYS 18 1HD LYS 18 0.177 -1.090 0.559
100 HD3 LYS 18 2HD LYS 18 -0.085 0.652 0.446
101 HE2 LYS 18 1HE LYS 18 -0.686 -0.126 2.655
102 HE3 LYS 18 2HE LYS 18 -2.131 0.404 1.796
103 HZ1 LYS 18 3HZ LYS 18 -2.554 -1.657 2.939
104 HZ2 LYS 18 1HZ LYS 18 -1.245 -2.405 2.171
105 HZ3 LYS 18 2HZ LYS 18 -2.595 -1.929 1.270
106 H ALA 19 H ALA 19 -3.414 -1.063 -1.751
107 HA ALA 19 HA ALA 19 -4.831 0.374 -3.887
108 HB1 ALA 19 3HB ALA 19 -6.890 -0.997 -2.976
109 HB2 ALA 19 1HB ALA 19 -5.836 -1.649 -4.231
110 HB3 ALA 19 2HB ALA 19 -5.633 -2.161 -2.555
111 H PHE 20 H PHE 20 -6.584 1.698 -3.164
112 HA PHE 20 HA PHE 20 -7.025 2.062 -0.340
113 HB2 PHE 20 1HB PHE 20 -5.668 4.233 -1.951
114 HB3 PHE 20 2HB PHE 20 -6.334 4.448 -0.336
115 HD1 PHE 20 HD2 PHE 20 -5.263 3.420 1.598
116 HD2 PHE 20 HD1 PHE 20 -3.601 3.074 -2.305
117 HE1 PHE 20 HE2 PHE 20 -3.126 2.692 2.576
118 HE2 PHE 20 HE1 PHE 20 -1.461 2.345 -1.333
119 HZ PHE 20 HZ PHE 20 -1.221 2.155 1.110
120 H THR 21 H THR 21 -8.892 3.211 0.113
121 HA THR 21 HA THR 21 -10.763 3.419 -2.061
122 HB THR 21 HB THR 21 -11.108 4.136 0.858
123 HG1 THR 21 HG1 THR 21 -12.310 2.056 0.744
124 HG21 THR 21 3HG2 THR 21 -12.997 4.028 -1.465
125 HG22 THR 21 1HG2 THR 21 -12.847 5.252 -0.205
126 HG23 THR 21 2HG2 THR 21 -13.573 3.689 0.167
127 H PHE 22 H PHE 22 -9.141 5.672 0.135
128 HA PHE 22 HA PHE 22 -10.223 7.913 -1.431
129 HB2 PHE 22 1HB PHE 22 -9.367 7.606 1.404
130 HB3 PHE 22 2HB PHE 22 -9.112 9.173 0.644
131 HD1 PHE 22 HD1 PHE 22 -11.044 10.453 -0.222
132 HD2 PHE 22 HD2 PHE 22 -11.529 6.872 2.028
133 HE1 PHE 22 HE1 PHE 22 -13.394 11.044 0.205
134 HE2 PHE 22 HE2 PHE 22 -13.880 7.457 2.457
135 HZ PHE 22 HZ PHE 22 -14.816 9.544 1.544
136 H LYS 23 H LYS 23 -8.740 9.761 -1.780
137 HA LYS 23 HA LYS 23 -6.340 8.879 -3.025
138 HB2 LYS 23 1HB LYS 23 -7.390 10.720 -4.046
139 HB3 LYS 23 2HB LYS 23 -7.562 11.580 -2.521
140 HG2 LYS 23 1HG LYS 23 -5.280 12.151 -2.467
141 HG3 LYS 23 2HG LYS 23 -4.882 10.999 -3.744
142 HD2 LYS 23 1HD LYS 23 -6.848 13.144 -4.359
143 HD3 LYS 23 2HD LYS 23 -5.146 13.593 -4.227
144 HE2 LYS 23 1HE LYS 23 -4.528 12.284 -6.032
145 HE3 LYS 23 2HE LYS 23 -5.940 11.239 -5.888
146 HZ1 LYS 23 3HZ LYS 23 -6.281 14.078 -6.588
147 HZ2 LYS 23 1HZ LYS 23 -7.284 12.761 -6.942
148 HZ3 LYS 23 2HZ LYS 23 -5.830 12.967 -7.781
149 H SER 24 H SER 24 -6.844 11.169 -0.333
150 HA SER 24 HA SER 24 -4.299 11.642 0.452
151 HB2 SER 24 1HB SER 24 -6.611 11.053 2.317
152 HB3 SER 24 2HB SER 24 -5.138 11.918 2.752
153 HG SER 24 HG SER 24 -5.802 13.636 1.668
154 H GLN 25 H GLN 25 -6.197 8.763 1.261
155 HA GLN 25 HA GLN 25 -4.379 7.534 2.978
156 HB2 GLN 25 1HB GLN 25 -6.623 6.605 1.266
157 HB3 GLN 25 2HB GLN 25 -5.509 5.381 1.859
158 HG2 GLN 25 1HG GLN 25 -6.591 7.337 3.808
159 HG3 GLN 25 2HG GLN 25 -7.669 6.082 3.201
160 HE21 GLN 25 1HE2 GLN 25 -6.664 3.839 3.241
161 HE22 GLN 25 2HE2 GLN 25 -5.804 3.415 4.678
162 H LEU 26 H LEU 26 -4.549 7.560 -0.536
163 HA LEU 26 HA LEU 26 -2.494 5.603 -0.900
164 HB2 LEU 26 1HB LEU 26 -4.086 5.863 -2.641
165 HB3 LEU 26 2HB LEU 26 -3.790 7.598 -2.740
166 HG LEU 26 HG LEU 26 -1.577 7.172 -3.684
167 HD11 LEU 26 1HD1 LEU 26 -2.353 4.304 -3.263
168 HD12 LEU 26 2HD1 LEU 26 -0.891 5.141 -2.743
169 HD13 LEU 26 3HD1 LEU 26 -1.140 4.780 -4.451
170 HD21 LEU 26 3HD2 LEU 26 -4.011 6.877 -4.940
171 HD22 LEU 26 1HD2 LEU 26 -3.106 5.459 -5.469
172 HD23 LEU 26 2HD2 LEU 26 -2.449 7.074 -5.735
173 H ILE 27 H ILE 27 -2.607 9.077 -0.580
174 HA ILE 27 HA ILE 27 0.014 9.599 -1.555
175 HB ILE 27 HB ILE 27 -1.425 11.320 0.448
176 HG12 ILE 27 1HG1 ILE 27 -3.082 10.796 -1.227
177 HG13 ILE 27 2HG1 ILE 27 -2.503 12.433 -1.513
178 HG21 ILE 27 1HG2 ILE 27 1.006 11.623 -0.652
179 HG22 ILE 27 2HG2 ILE 27 0.021 12.436 -1.867
180 HG23 ILE 27 3HG2 ILE 27 -0.027 12.975 -0.189
181 HD11 ILE 27 3HD1 ILE 27 -2.614 10.287 -3.320
182 HD12 ILE 27 1HD1 ILE 27 -1.957 11.902 -3.584
183 HD13 ILE 27 2HD1 ILE 27 -0.908 10.605 -3.009
184 H VAL 28 H VAL 28 -1.321 8.834 1.605
185 HA VAL 28 HA VAL 28 0.987 9.443 3.125
186 HB VAL 28 HB VAL 28 -1.121 7.394 3.810
187 HG11 VAL 28 1HG1 VAL 28 -0.538 7.974 6.127
188 HG12 VAL 28 2HG1 VAL 28 0.839 7.316 5.241
189 HG13 VAL 28 3HG1 VAL 28 0.722 9.052 5.528
190 HG21 VAL 28 3HG2 VAL 28 -1.444 10.174 3.368
191 HG22 VAL 28 1HG2 VAL 28 -2.621 9.020 3.994
192 HG23 VAL 28 2HG2 VAL 28 -1.563 9.890 5.104
193 H HIS 29 H HIS 29 -0.167 6.475 1.584
194 HA HIS 29 HA HIS 29 2.015 4.888 2.570
195 HB2 HIS 29 1HB HIS 29 0.160 3.567 2.170
196 HB3 HIS 29 2HB HIS 29 -0.280 4.442 0.707
197 HD1 HIS 29 HD1 HIS 29 1.874 1.653 1.942
198 HD2 HIS 29 HD2 HIS 29 0.955 3.541 -1.643
199 HE1 HIS 29 HE1 HIS 29 2.806 0.166 0.141
200 H LYS 30 H LYS 30 1.345 6.773 -0.284
201 HA LYS 30 HA LYS 30 3.407 5.679 -1.913
202 HB2 LYS 30 1HB LYS 30 1.641 8.080 -2.026
203 HB3 LYS 30 2HB LYS 30 3.075 8.058 -3.043
204 HG2 LYS 30 1HG LYS 30 2.167 5.690 -3.722
205 HG3 LYS 30 2HG LYS 30 0.633 6.366 -3.166
206 HD2 LYS 30 1HD LYS 30 0.840 8.209 -4.717
207 HD3 LYS 30 2HD LYS 30 2.442 7.655 -5.210
208 HE2 LYS 30 1HE LYS 30 1.483 5.622 -6.125
209 HE3 LYS 30 2HE LYS 30 -0.119 6.099 -5.563
210 HZ1 LYS 30 3HZ LYS 30 0.740 6.565 -8.017
211 HZ2 LYS 30 1HZ LYS 30 1.274 7.991 -7.281
212 HZ3 LYS 30 2HZ LYS 30 -0.365 7.577 -7.232
213 H GLY 31 H GLY 31 3.259 8.238 0.471
214 HA2 GLY 31 1HA GLY 31 5.560 9.669 -0.114
215 HA3 GLY 31 2HA GLY 31 4.925 9.431 1.507
216 H VAL 32 H VAL 32 5.253 6.491 1.293
217 HA VAL 32 HA VAL 32 7.786 6.266 2.474
218 HB VAL 32 HB VAL 32 7.465 3.906 2.482
219 HG11 VAL 32 1HG1 VAL 32 5.820 5.490 3.732
220 HG12 VAL 32 2HG1 VAL 32 4.634 4.855 2.589
221 HG13 VAL 32 3HG1 VAL 32 5.492 3.758 3.672
222 HG21 VAL 32 3HG2 VAL 32 5.777 4.455 0.099
223 HG22 VAL 32 1HG2 VAL 32 6.946 3.166 0.387
224 HG23 VAL 32 2HG2 VAL 32 5.345 3.085 1.122
225 H HIS 33 H HIS 33 6.769 6.109 -0.842
226 HA HIS 33 HA HIS 33 9.368 5.071 -1.693
227 HB2 HIS 33 1HB HIS 33 7.101 5.787 -3.535
228 HB3 HIS 33 2HB HIS 33 8.402 4.628 -3.790
229 HD1 HIS 33 HD1 HIS 33 8.257 2.524 -1.942
230 HD2 HIS 33 HD2 HIS 33 4.776 4.587 -2.885
231 HE1 HIS 33 HE1 HIS 33 6.371 0.996 -1.285
232 H THR 34 H THR 34 7.200 7.702 -2.751
233 HA THR 34 HA THR 34 9.202 9.149 -4.097
234 HB THR 34 HB THR 34 6.821 9.505 -4.548
235 HG1 THR 34 HG1 THR 34 7.778 11.961 -3.529
236 HG21 THR 34 3HG2 THR 34 6.305 9.386 -1.983
237 HG22 THR 34 1HG2 THR 34 5.303 10.376 -3.042
238 HG23 THR 34 2HG2 THR 34 6.554 11.131 -2.055
239 H GLY 35 H GLY 35 10.340 11.022 -3.531
240 HA2 GLY 35 1HA GLY 35 11.459 12.479 -2.147
241 HA3 GLY 35 2HA GLY 35 10.167 12.251 -0.978
242 H VAL 36 H VAL 36 12.387 9.842 -2.327
243 HA VAL 36 HA VAL 36 13.829 9.670 0.192
244 HB VAL 36 HB VAL 36 12.285 7.314 -0.902
245 HG11 VAL 36 1HG1 VAL 36 14.201 7.499 1.420
246 HG12 VAL 36 2HG1 VAL 36 13.185 6.104 1.051
247 HG13 VAL 36 3HG1 VAL 36 14.445 6.603 -0.079
248 HG21 VAL 36 3HG2 VAL 36 11.034 7.394 1.161
249 HG22 VAL 36 1HG2 VAL 36 12.010 8.744 1.740
250 HG23 VAL 36 2HG2 VAL 36 10.933 8.962 0.360
251 H LYS 37 H LYS 37 15.906 9.490 -0.291
252 HA LYS 37 HA LYS 37 16.658 8.169 -2.815
253 HB2 LYS 37 1HB LYS 37 18.810 9.553 -2.501
254 HB3 LYS 37 2HB LYS 37 17.357 10.387 -3.037
255 HG2 LYS 37 1HG LYS 37 16.953 11.075 -0.686
256 HG3 LYS 37 2HG LYS 37 18.505 10.354 -0.254
257 HD2 LYS 37 1HD LYS 37 19.394 11.877 -2.200
258 HD3 LYS 37 2HD LYS 37 17.922 12.794 -1.870
259 HE2 LYS 37 1HE LYS 37 18.573 13.163 0.395
260 HE3 LYS 37 2HE LYS 37 19.918 12.032 0.253
261 HZ1 LYS 37 3HZ LYS 37 20.766 13.610 -1.534
262 HZ2 LYS 37 1HZ LYS 37 20.885 14.127 0.072
263 HZ3 LYS 37 2HZ LYS 37 19.657 14.731 -0.921
264 HA PRO 38 HA PRO 38 18.283 5.380 0.442
265 HB2 PRO 38 1HB PRO 38 18.028 3.137 -1.065
266 HB3 PRO 38 2HB PRO 38 16.695 3.820 -0.127
267 HG2 PRO 38 1HG PRO 38 17.287 4.089 -3.049
268 HG3 PRO 38 2HG PRO 38 15.733 3.803 -2.243
269 HD2 PRO 38 1HD PRO 38 16.482 6.247 -3.137
270 HD3 PRO 38 2HD PRO 38 15.461 6.027 -1.702
271 H SER 39 H SER 39 19.988 3.552 0.102
272 HA SER 39 HA SER 39 22.123 4.712 -1.531
273 HB2 SER 39 1HB SER 39 22.364 4.151 0.980
274 HB3 SER 39 2HB SER 39 22.474 2.472 0.452
275 HG SER 39 HG SER 39 24.528 3.536 0.642
276 H GLY 40 H GLY 40 22.270 3.920 -3.526
277 HA2 GLY 40 1HA GLY 40 23.042 1.368 -4.171
278 HA3 GLY 40 2HA GLY 40 21.286 1.326 -4.239
279 HA PRO 41 HA PRO 41 21.384 2.844 -8.347
280 HB2 PRO 41 1HB PRO 41 19.102 4.312 -8.441
281 HB3 PRO 41 2HB PRO 41 19.107 2.545 -8.394
282 HG2 PRO 41 1HG PRO 41 18.672 4.498 -6.167
283 HG3 PRO 41 2HG PRO 41 17.799 2.997 -6.525
284 HD2 PRO 41 1HD PRO 41 19.713 3.149 -4.617
285 HD3 PRO 41 2HD PRO 41 19.422 1.675 -5.562
286 H SER 42 H SER 42 22.742 4.341 -9.088
287 HA SER 42 HA SER 42 22.953 6.921 -7.763
288 HB2 SER 42 1HB SER 42 24.909 7.245 -9.285
289 HB3 SER 42 2HB SER 42 25.034 5.796 -8.287
290 HG SER 42 HG SER 42 23.922 5.661 -10.870
291 H SER 43 H SER 43 20.930 7.801 -8.412
292 HA SER 43 HA SER 43 19.405 8.763 -9.848
293 HB2 SER 43 1HB SER 43 21.062 10.537 -9.424
294 HB3 SER 43 2HB SER 43 21.991 10.002 -10.823
295 HG SER 43 HG SER 43 19.711 10.345 -11.849
296 H GLY 44 H GLY 44 20.049 6.223 -10.789
297 HA2 GLY 44 1HA GLY 44 21.002 5.829 -13.295
298 HA3 GLY 44 2HA GLY 44 19.569 5.008 -12.695
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -15.136 -17.762 6.034
2 HA2 GLY 1 1HA GLY 1 -17.514 -17.509 5.927
3 HA3 GLY 1 2HA GLY 1 -17.484 -16.871 7.564
4 H SER 2 H SER 2 -17.402 -16.129 4.236
5 HA SER 2 HA SER 2 -17.629 -13.312 4.807
6 HB2 SER 2 1HB SER 2 -15.307 -14.340 3.158
7 HB3 SER 2 2HB SER 2 -15.783 -12.646 3.285
8 HG SER 2 HG SER 2 -15.492 -12.987 5.636
9 H SER 3 H SER 3 -18.526 -12.127 3.099
10 HA SER 3 HA SER 3 -19.007 -13.378 0.544
11 HB2 SER 3 1HB SER 3 -21.262 -12.929 2.506
12 HB3 SER 3 2HB SER 3 -21.519 -13.129 0.772
13 HG SER 3 HG SER 3 -21.353 -15.029 2.519
14 H GLY 4 H GLY 4 -18.643 -11.783 -0.840
15 HA2 GLY 4 1HA GLY 4 -18.624 -9.703 -1.811
16 HA3 GLY 4 2HA GLY 4 -20.143 -9.429 -0.972
17 H SER 5 H SER 5 -19.627 -7.253 -0.595
18 HA SER 5 HA SER 5 -18.837 -5.491 0.608
19 HB2 SER 5 1HB SER 5 -19.414 -7.264 2.459
20 HB3 SER 5 2HB SER 5 -17.663 -7.348 2.647
21 HG SER 5 HG SER 5 -17.618 -5.231 3.229
22 H SER 6 H SER 6 -17.198 -6.427 -1.442
23 HA SER 6 HA SER 6 -14.497 -6.028 -0.332
24 HB2 SER 6 1HB SER 6 -14.914 -8.224 -1.488
25 HB3 SER 6 2HB SER 6 -15.188 -7.322 -2.978
26 HG SER 6 HG SER 6 -13.074 -6.605 -2.906
27 H GLY 7 H GLY 7 -16.322 -5.486 -3.355
28 HA2 GLY 7 1HA GLY 7 -16.348 -3.704 -4.802
29 HA3 GLY 7 2HA GLY 7 -15.907 -2.711 -3.421
30 H GLU 8 H GLU 8 -14.851 -1.706 -5.495
31 HA GLU 8 HA GLU 8 -12.096 -2.744 -5.638
32 HB2 GLU 8 1HB GLU 8 -13.768 -1.471 -7.805
33 HB3 GLU 8 2HB GLU 8 -12.026 -1.671 -7.930
34 HG2 GLU 8 1HG GLU 8 -13.915 -3.959 -7.460
35 HG3 GLU 8 2HG GLU 8 -13.413 -3.426 -9.063
36 H LYS 9 H LYS 9 -10.436 -1.299 -5.437
37 HA LYS 9 HA LYS 9 -11.172 1.347 -4.441
38 HB2 LYS 9 1HB LYS 9 -8.788 -0.427 -4.174
39 HB3 LYS 9 2HB LYS 9 -8.554 1.309 -4.008
40 HG2 LYS 9 1HG LYS 9 -9.778 1.430 -2.072
41 HG3 LYS 9 2HG LYS 9 -10.720 -0.014 -2.450
42 HD2 LYS 9 1HD LYS 9 -8.656 -1.368 -2.104
43 HD3 LYS 9 2HD LYS 9 -7.838 0.101 -1.566
44 HE2 LYS 9 1HE LYS 9 -9.673 0.332 0.158
45 HE3 LYS 9 2HE LYS 9 -10.174 -1.299 -0.283
46 HZ1 LYS 9 3HZ LYS 9 -8.769 -1.643 1.498
47 HZ2 LYS 9 1HZ LYS 9 -7.690 -0.423 1.038
48 HZ3 LYS 9 2HZ LYS 9 -7.729 -1.883 0.185
49 HA PRO 10 HA PRO 10 -10.084 3.003 -8.449
50 HB2 PRO 10 1HB PRO 10 -10.706 5.574 -7.837
51 HB3 PRO 10 2HB PRO 10 -11.927 4.357 -8.228
52 HG2 PRO 10 1HG PRO 10 -11.037 5.354 -5.550
53 HG3 PRO 10 2HG PRO 10 -12.680 5.027 -6.132
54 HD2 PRO 10 1HD PRO 10 -11.322 3.296 -4.553
55 HD3 PRO 10 2HD PRO 10 -12.488 2.757 -5.778
56 H TYR 11 H TYR 11 -8.439 3.137 -5.619
57 HA TYR 11 HA TYR 11 -6.321 4.793 -6.806
58 HB2 TYR 11 1HB TYR 11 -7.101 4.831 -3.884
59 HB3 TYR 11 2HB TYR 11 -5.804 5.760 -4.629
60 HD1 TYR 11 HD2 TYR 11 -9.445 5.430 -4.269
61 HD2 TYR 11 HD1 TYR 11 -6.277 7.747 -5.912
62 HE1 TYR 11 HE2 TYR 11 -11.023 7.264 -4.712
63 HE2 TYR 11 HE1 TYR 11 -7.846 9.587 -6.358
64 HH TYR 11 HH TYR 11 -10.092 10.366 -5.388
65 H SER 12 H SER 12 -4.769 3.374 -7.265
66 HA SER 12 HA SER 12 -3.947 1.494 -5.153
67 HB2 SER 12 1HB SER 12 -3.543 0.745 -8.014
68 HB3 SER 12 2HB SER 12 -3.801 -0.288 -6.608
69 HG SER 12 HG SER 12 -5.692 1.152 -8.123
70 H CYS 13 H CYS 13 -1.734 1.073 -4.980
71 HA CYS 13 HA CYS 13 -0.042 3.235 -5.829
72 HB2 CYS 13 1HB CYS 13 0.341 2.379 -3.635
73 HB3 CYS 13 2HB CYS 13 0.466 0.727 -4.230
74 H ASN 14 H ASN 14 2.077 2.853 -6.864
75 HA ASN 14 HA ASN 14 1.924 0.700 -8.871
76 HB2 ASN 14 1HB ASN 14 3.247 3.365 -9.358
77 HB3 ASN 14 2HB ASN 14 2.775 2.148 -10.541
78 HD21 ASN 14 1HD2 ASN 14 1.549 4.512 -8.249
79 HD22 ASN 14 2HD2 ASN 14 0.039 4.775 -9.046
80 H GLU 15 H GLU 15 3.949 2.620 -6.753
81 HA GLU 15 HA GLU 15 6.464 1.693 -7.529
82 HB2 GLU 15 1HB GLU 15 5.658 2.334 -4.692
83 HB3 GLU 15 2HB GLU 15 7.261 2.458 -5.403
84 HG2 GLU 15 1HG GLU 15 5.128 4.060 -6.667
85 HG3 GLU 15 2HG GLU 15 5.643 4.551 -5.054
86 H CYS 16 H CYS 16 4.854 0.652 -4.530
87 HA CYS 16 HA CYS 16 6.136 -1.966 -4.831
88 HB2 CYS 16 1HB CYS 16 5.696 -2.279 -2.461
89 HB3 CYS 16 2HB CYS 16 6.496 -0.732 -2.715
90 H GLY 17 H GLY 17 3.102 -0.421 -5.085
91 HA2 GLY 17 1HA GLY 17 1.199 -1.430 -6.044
92 HA3 GLY 17 2HA GLY 17 1.836 -3.005 -5.592
93 H LYS 18 H LYS 18 -0.646 -1.040 -5.034
94 HA LYS 18 HA LYS 18 -1.519 -2.387 -2.724
95 HB2 LYS 18 1HB LYS 18 0.233 -0.877 -1.717
96 HB3 LYS 18 2HB LYS 18 -0.759 0.490 -2.206
97 HG2 LYS 18 1HG LYS 18 -2.325 0.109 -0.605
98 HG3 LYS 18 2HG LYS 18 -2.055 -1.636 -0.598
99 HD2 LYS 18 1HD LYS 18 0.171 -1.173 0.488
100 HD3 LYS 18 2HD LYS 18 -0.353 0.503 0.671
101 HE2 LYS 18 1HE LYS 18 -2.067 -1.739 1.668
102 HE3 LYS 18 2HE LYS 18 -0.700 -1.171 2.626
103 HZ1 LYS 18 3HZ LYS 18 -2.486 0.883 1.609
104 HZ2 LYS 18 1HZ LYS 18 -1.729 0.754 3.116
105 HZ3 LYS 18 2HZ LYS 18 -3.134 -0.131 2.797
106 H ALA 19 H ALA 19 -3.503 -1.184 -1.745
107 HA ALA 19 HA ALA 19 -4.921 0.245 -3.896
108 HB1 ALA 19 3HB ALA 19 -5.935 -2.026 -2.202
109 HB2 ALA 19 1HB ALA 19 -6.993 -0.966 -3.135
110 HB3 ALA 19 2HB ALA 19 -5.790 -1.960 -3.958
111 H PHE 20 H PHE 20 -6.682 1.604 -3.180
112 HA PHE 20 HA PHE 20 -6.963 2.182 -0.372
113 HB2 PHE 20 1HB PHE 20 -5.710 4.232 -2.212
114 HB3 PHE 20 2HB PHE 20 -6.274 4.556 -0.576
115 HD1 PHE 20 HD2 PHE 20 -5.073 3.680 1.350
116 HD2 PHE 20 HD1 PHE 20 -3.672 3.033 -2.616
117 HE1 PHE 20 HE2 PHE 20 -2.875 3.020 2.238
118 HE2 PHE 20 HE1 PHE 20 -1.472 2.370 -1.735
119 HZ PHE 20 HZ PHE 20 -1.071 2.364 0.695
120 H THR 21 H THR 21 -8.822 3.318 0.095
121 HA THR 21 HA THR 21 -10.778 3.425 -2.020
122 HB THR 21 HB THR 21 -11.089 4.259 0.869
123 HG1 THR 21 HG1 THR 21 -11.393 2.196 1.319
124 HG21 THR 21 3HG2 THR 21 -12.825 5.124 -0.647
125 HG22 THR 21 1HG2 THR 21 -13.471 3.928 0.476
126 HG23 THR 21 2HG2 THR 21 -13.148 3.481 -1.200
127 H PHE 22 H PHE 22 -8.947 5.710 -0.080
128 HA PHE 22 HA PHE 22 -10.057 7.891 -1.721
129 HB2 PHE 22 1HB PHE 22 -9.549 7.735 1.215
130 HB3 PHE 22 2HB PHE 22 -9.291 9.279 0.410
131 HD1 PHE 22 HD1 PHE 22 -11.272 10.009 -1.186
132 HD2 PHE 22 HD2 PHE 22 -11.628 7.292 2.071
133 HE1 PHE 22 HE1 PHE 22 -13.685 10.476 -1.066
134 HE2 PHE 22 HE2 PHE 22 -14.042 7.753 2.195
135 HZ PHE 22 HZ PHE 22 -15.073 9.346 0.625
136 H LYS 23 H LYS 23 -8.631 9.555 -2.334
137 HA LYS 23 HA LYS 23 -6.103 8.796 -3.152
138 HB2 LYS 23 1HB LYS 23 -7.428 10.768 -3.975
139 HB3 LYS 23 2HB LYS 23 -6.935 11.632 -2.524
140 HG2 LYS 23 1HG LYS 23 -5.331 12.380 -3.933
141 HG3 LYS 23 2HG LYS 23 -4.527 10.910 -3.380
142 HD2 LYS 23 1HD LYS 23 -4.832 9.831 -5.369
143 HD3 LYS 23 2HD LYS 23 -6.325 10.699 -5.736
144 HE2 LYS 23 1HE LYS 23 -4.910 11.654 -7.262
145 HE3 LYS 23 2HE LYS 23 -4.696 12.757 -5.904
146 HZ1 LYS 23 3HZ LYS 23 -2.914 10.464 -6.526
147 HZ2 LYS 23 1HZ LYS 23 -2.693 11.597 -5.289
148 HZ3 LYS 23 2HZ LYS 23 -2.584 12.079 -6.906
149 H SER 24 H SER 24 -6.800 11.070 -0.488
150 HA SER 24 HA SER 24 -4.405 11.567 0.563
151 HB2 SER 24 1HB SER 24 -5.430 11.498 2.841
152 HB3 SER 24 2HB SER 24 -6.420 12.348 1.655
153 HG SER 24 HG SER 24 -7.496 10.210 1.406
154 H GLN 25 H GLN 25 -6.214 8.648 1.538
155 HA GLN 25 HA GLN 25 -4.312 7.412 3.063
156 HB2 GLN 25 1HB GLN 25 -6.159 6.033 1.107
157 HB3 GLN 25 2HB GLN 25 -5.382 5.287 2.498
158 HG2 GLN 25 1HG GLN 25 -6.615 7.044 3.890
159 HG3 GLN 25 2HG GLN 25 -7.590 7.309 2.445
160 HE21 GLN 25 1HE2 GLN 25 -7.957 4.858 1.441
161 HE22 GLN 25 2HE2 GLN 25 -8.806 3.851 2.558
162 H LEU 26 H LEU 26 -4.566 7.412 -0.459
163 HA LEU 26 HA LEU 26 -2.413 5.589 -0.872
164 HB2 LEU 26 1HB LEU 26 -4.052 5.809 -2.582
165 HB3 LEU 26 2HB LEU 26 -3.809 7.552 -2.674
166 HG LEU 26 HG LEU 26 -1.607 7.206 -3.662
167 HD11 LEU 26 1HD1 LEU 26 -0.801 5.219 -2.747
168 HD12 LEU 26 2HD1 LEU 26 -1.110 4.814 -4.435
169 HD13 LEU 26 3HD1 LEU 26 -2.252 4.317 -3.186
170 HD21 LEU 26 3HD2 LEU 26 -3.022 5.439 -5.453
171 HD22 LEU 26 1HD2 LEU 26 -2.555 7.126 -5.671
172 HD23 LEU 26 2HD2 LEU 26 -4.073 6.728 -4.864
173 H ILE 27 H ILE 27 -2.661 9.022 -0.404
174 HA ILE 27 HA ILE 27 -0.120 9.727 -1.464
175 HB ILE 27 HB ILE 27 -1.606 11.229 0.684
176 HG12 ILE 27 1HG1 ILE 27 -3.204 10.791 -1.070
177 HG13 ILE 27 2HG1 ILE 27 -2.683 12.467 -1.203
178 HG21 ILE 27 1HG2 ILE 27 -0.522 13.179 -0.306
179 HG22 ILE 27 2HG2 ILE 27 0.667 11.987 0.217
180 HG23 ILE 27 3HG2 ILE 27 0.268 12.143 -1.494
181 HD11 ILE 27 3HD1 ILE 27 -2.700 11.720 -3.392
182 HD12 ILE 27 1HD1 ILE 27 -1.003 11.584 -2.931
183 HD13 ILE 27 2HD1 ILE 27 -2.026 10.147 -2.966
184 H VAL 28 H VAL 28 -1.280 9.035 1.818
185 HA VAL 28 HA VAL 28 1.132 9.538 3.164
186 HB VAL 28 HB VAL 28 -1.011 7.557 3.942
187 HG11 VAL 28 1HG1 VAL 28 0.930 9.042 5.704
188 HG12 VAL 28 2HG1 VAL 28 -0.196 7.767 6.176
189 HG13 VAL 28 3HG1 VAL 28 1.181 7.391 5.139
190 HG21 VAL 28 3HG2 VAL 28 -0.934 10.491 3.938
191 HG22 VAL 28 1HG2 VAL 28 -2.311 9.390 3.983
192 HG23 VAL 28 2HG2 VAL 28 -1.436 9.768 5.467
193 H HIS 29 H HIS 29 -0.120 6.634 1.604
194 HA HIS 29 HA HIS 29 2.032 4.960 2.490
195 HB2 HIS 29 1HB HIS 29 0.126 3.720 2.039
196 HB3 HIS 29 2HB HIS 29 -0.265 4.652 0.597
197 HD1 HIS 29 HD1 HIS 29 1.561 1.654 1.749
198 HD2 HIS 29 HD2 HIS 29 1.199 3.891 -1.733
199 HE1 HIS 29 HE1 HIS 29 2.530 0.219 -0.076
200 H LYS 30 H LYS 30 1.327 6.869 -0.369
201 HA LYS 30 HA LYS 30 3.405 5.834 -1.996
202 HB2 LYS 30 1HB LYS 30 1.639 8.237 -2.062
203 HB3 LYS 30 2HB LYS 30 3.073 8.235 -3.081
204 HG2 LYS 30 1HG LYS 30 2.184 5.899 -3.832
205 HG3 LYS 30 2HG LYS 30 0.646 6.512 -3.220
206 HD2 LYS 30 1HD LYS 30 0.842 8.463 -4.687
207 HD3 LYS 30 2HD LYS 30 2.383 7.852 -5.295
208 HE2 LYS 30 1HE LYS 30 0.951 5.715 -5.831
209 HE3 LYS 30 2HE LYS 30 -0.387 6.861 -5.784
210 HZ1 LYS 30 3HZ LYS 30 1.804 7.852 -7.316
211 HZ2 LYS 30 1HZ LYS 30 0.181 7.665 -7.758
212 HZ3 LYS 30 2HZ LYS 30 1.255 6.368 -7.915
213 H GLY 31 H GLY 31 3.360 8.055 0.631
214 HA2 GLY 31 1HA GLY 31 5.600 9.637 0.036
215 HA3 GLY 31 2HA GLY 31 5.011 9.276 1.652
216 H VAL 32 H VAL 32 5.360 6.439 1.502
217 HA VAL 32 HA VAL 32 7.917 6.143 2.504
218 HB VAL 32 HB VAL 32 7.605 3.811 2.448
219 HG11 VAL 32 1HG1 VAL 32 5.699 5.427 3.471
220 HG12 VAL 32 2HG1 VAL 32 4.723 4.410 2.409
221 HG13 VAL 32 3HG1 VAL 32 5.716 3.675 3.669
222 HG21 VAL 32 3HG2 VAL 32 7.278 3.336 0.169
223 HG22 VAL 32 1HG2 VAL 32 5.796 2.802 0.962
224 HG23 VAL 32 2HG2 VAL 32 5.825 4.331 0.083
225 H HIS 33 H HIS 33 6.828 6.100 -0.807
226 HA HIS 33 HA HIS 33 9.417 5.161 -1.768
227 HB2 HIS 33 1HB HIS 33 7.109 6.030 -3.496
228 HB3 HIS 33 2HB HIS 33 8.415 4.916 -3.891
229 HD1 HIS 33 HD1 HIS 33 8.343 2.663 -2.203
230 HD2 HIS 33 HD2 HIS 33 4.816 4.732 -2.936
231 HE1 HIS 33 HE1 HIS 33 6.492 1.053 -1.649
232 H THR 34 H THR 34 7.262 7.911 -2.499
233 HA THR 34 HA THR 34 9.388 9.428 -3.676
234 HB THR 34 HB THR 34 7.059 9.698 -4.426
235 HG1 THR 34 HG1 THR 34 7.092 12.055 -4.318
236 HG21 THR 34 3HG2 THR 34 6.314 9.603 -1.863
237 HG22 THR 34 1HG2 THR 34 5.334 10.380 -3.105
238 HG23 THR 34 2HG2 THR 34 6.372 11.354 -2.063
239 H GLY 35 H GLY 35 10.930 9.480 -1.949
240 HA2 GLY 35 1HA GLY 35 10.402 11.684 -0.092
241 HA3 GLY 35 2HA GLY 35 10.902 10.144 0.590
242 H VAL 36 H VAL 36 12.977 10.106 1.100
243 HA VAL 36 HA VAL 36 14.835 11.988 -0.027
244 HB VAL 36 HB VAL 36 15.348 9.681 1.856
245 HG11 VAL 36 1HG1 VAL 36 17.187 11.840 2.131
246 HG12 VAL 36 2HG1 VAL 36 17.509 10.162 1.693
247 HG13 VAL 36 3HG1 VAL 36 17.140 11.346 0.439
248 HG21 VAL 36 3HG2 VAL 36 15.190 12.571 2.635
249 HG22 VAL 36 1HG2 VAL 36 13.739 11.570 2.556
250 HG23 VAL 36 2HG2 VAL 36 15.052 11.135 3.650
251 H LYS 37 H LYS 37 14.251 10.938 -2.239
252 HA LYS 37 HA LYS 37 16.312 8.914 -2.815
253 HB2 LYS 37 1HB LYS 37 13.791 8.220 -2.937
254 HB3 LYS 37 2HB LYS 37 13.810 9.108 -4.455
255 HG2 LYS 37 1HG LYS 37 15.412 7.652 -5.398
256 HG3 LYS 37 2HG LYS 37 15.765 6.912 -3.835
257 HD2 LYS 37 1HD LYS 37 14.401 5.347 -4.911
258 HD3 LYS 37 2HD LYS 37 13.297 6.206 -3.833
259 HE2 LYS 37 1HE LYS 37 13.669 7.145 -6.646
260 HE3 LYS 37 2HE LYS 37 12.626 5.763 -6.314
261 HZ1 LYS 37 3HZ LYS 37 11.076 7.054 -5.347
262 HZ2 LYS 37 1HZ LYS 37 11.780 8.279 -6.278
263 HZ3 LYS 37 2HZ LYS 37 12.202 8.105 -4.649
264 HA PRO 38 HA PRO 38 17.891 11.884 -5.664
265 HB2 PRO 38 1HB PRO 38 19.392 10.214 -7.191
266 HB3 PRO 38 2HB PRO 38 19.861 10.705 -5.559
267 HG2 PRO 38 1HG PRO 38 18.548 8.175 -6.472
268 HG3 PRO 38 2HG PRO 38 19.864 8.394 -5.304
269 HD2 PRO 38 1HD PRO 38 17.296 7.985 -4.547
270 HD3 PRO 38 2HD PRO 38 18.423 8.979 -3.602
271 H SER 39 H SER 39 16.426 8.901 -6.875
272 HA SER 39 HA SER 39 15.932 10.111 -9.478
273 HB2 SER 39 1HB SER 39 15.152 7.361 -8.481
274 HB3 SER 39 2HB SER 39 15.139 7.919 -10.154
275 HG SER 39 HG SER 39 17.151 7.365 -10.255
276 H GLY 40 H GLY 40 13.644 9.569 -10.398
277 HA2 GLY 40 1HA GLY 40 11.345 9.780 -10.266
278 HA3 GLY 40 2HA GLY 40 11.473 9.650 -8.518
279 HA PRO 41 HA PRO 41 10.177 13.973 -9.437
280 HB2 PRO 41 1HB PRO 41 8.445 14.126 -7.352
281 HB3 PRO 41 2HB PRO 41 7.998 13.454 -8.924
282 HG2 PRO 41 1HG PRO 41 8.790 12.031 -6.412
283 HG3 PRO 41 2HG PRO 41 7.486 11.648 -7.551
284 HD2 PRO 41 1HD PRO 41 9.858 10.343 -7.560
285 HD3 PRO 41 2HD PRO 41 8.916 10.622 -9.039
286 H SER 42 H SER 42 10.034 15.839 -7.781
287 HA SER 42 HA SER 42 12.464 15.742 -6.196
288 HB2 SER 42 1HB SER 42 11.623 17.678 -7.763
289 HB3 SER 42 2HB SER 42 10.693 18.156 -6.343
290 HG SER 42 HG SER 42 13.410 17.580 -6.020
291 H SER 43 H SER 43 12.389 16.945 -4.034
292 HA SER 43 HA SER 43 10.077 15.944 -2.506
293 HB2 SER 43 1HB SER 43 11.612 15.845 -0.562
294 HB3 SER 43 2HB SER 43 12.156 14.824 -1.892
295 HG SER 43 HG SER 43 13.104 17.438 -1.839
296 H GLY 44 H GLY 44 10.928 18.668 -3.845
297 HA2 GLY 44 1HA GLY 44 10.750 20.915 -3.357
298 HA3 GLY 44 2HA GLY 44 9.376 20.384 -2.398
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -3.328 -20.996 -3.829
2 HA2 GLY 1 1HA GLY 1 -5.670 -21.080 -3.614
3 HA3 GLY 1 2HA GLY 1 -5.244 -19.782 -2.509
4 H SER 2 H SER 2 -7.735 -19.779 -3.524
5 HA SER 2 HA SER 2 -7.689 -17.815 -5.713
6 HB2 SER 2 1HB SER 2 -9.897 -19.633 -4.727
7 HB3 SER 2 2HB SER 2 -10.128 -18.383 -5.949
8 HG SER 2 HG SER 2 -8.140 -19.628 -6.884
9 H SER 3 H SER 3 -7.167 -16.051 -4.349
10 HA SER 3 HA SER 3 -9.310 -15.249 -2.494
11 HB2 SER 3 1HB SER 3 -6.370 -14.566 -2.552
12 HB3 SER 3 2HB SER 3 -7.531 -13.682 -1.562
13 HG SER 3 HG SER 3 -7.940 -15.524 -0.406
14 H GLY 4 H GLY 4 -10.593 -14.409 -4.222
15 HA2 GLY 4 1HA GLY 4 -9.605 -12.375 -5.968
16 HA3 GLY 4 2HA GLY 4 -11.290 -12.813 -5.731
17 H SER 5 H SER 5 -11.709 -10.514 -5.878
18 HA SER 5 HA SER 5 -11.094 -9.098 -3.367
19 HB2 SER 5 1HB SER 5 -11.042 -7.034 -4.536
20 HB3 SER 5 2HB SER 5 -10.115 -8.156 -5.533
21 HG SER 5 HG SER 5 -12.355 -8.479 -6.547
22 H SER 6 H SER 6 -12.770 -7.284 -2.969
23 HA SER 6 HA SER 6 -15.467 -8.336 -3.521
24 HB2 SER 6 1HB SER 6 -14.194 -7.540 -0.950
25 HB3 SER 6 2HB SER 6 -15.893 -7.126 -1.174
26 HG SER 6 HG SER 6 -15.191 -9.703 -1.885
27 H GLY 7 H GLY 7 -13.539 -5.472 -2.720
28 HA2 GLY 7 1HA GLY 7 -15.659 -3.819 -3.949
29 HA3 GLY 7 2HA GLY 7 -14.614 -3.257 -2.653
30 H GLU 8 H GLU 8 -14.604 -1.566 -4.576
31 HA GLU 8 HA GLU 8 -12.171 -2.135 -6.136
32 HB2 GLU 8 1HB GLU 8 -14.665 -0.676 -7.004
33 HB3 GLU 8 2HB GLU 8 -13.140 -0.559 -7.870
34 HG2 GLU 8 1HG GLU 8 -13.168 -2.915 -8.344
35 HG3 GLU 8 2HG GLU 8 -14.608 -3.133 -7.351
36 H LYS 9 H LYS 9 -10.579 -0.670 -6.000
37 HA LYS 9 HA LYS 9 -11.165 1.852 -4.591
38 HB2 LYS 9 1HB LYS 9 -8.848 -0.038 -4.410
39 HB3 LYS 9 2HB LYS 9 -8.603 1.668 -4.061
40 HG2 LYS 9 1HG LYS 9 -9.822 1.597 -2.140
41 HG3 LYS 9 2HG LYS 9 -10.860 0.289 -2.715
42 HD2 LYS 9 1HD LYS 9 -8.854 -1.228 -2.530
43 HD3 LYS 9 2HD LYS 9 -8.030 0.094 -1.698
44 HE2 LYS 9 1HE LYS 9 -9.766 0.105 0.016
45 HE3 LYS 9 2HE LYS 9 -10.618 -1.190 -0.825
46 HZ1 LYS 9 3HZ LYS 9 -8.244 -1.311 0.843
47 HZ2 LYS 9 1HZ LYS 9 -8.215 -2.287 -0.539
48 HZ3 LYS 9 2HZ LYS 9 -9.456 -2.465 0.596
49 HA PRO 10 HA PRO 10 -9.903 3.592 -8.515
50 HB2 PRO 10 1HB PRO 10 -10.410 6.167 -7.820
51 HB3 PRO 10 2HB PRO 10 -11.680 5.030 -8.286
52 HG2 PRO 10 1HG PRO 10 -10.810 5.880 -5.551
53 HG3 PRO 10 2HG PRO 10 -12.451 5.660 -6.184
54 HD2 PRO 10 1HD PRO 10 -11.224 3.804 -4.641
55 HD3 PRO 10 2HD PRO 10 -12.384 3.372 -5.913
56 H TYR 11 H TYR 11 -8.326 3.534 -5.645
57 HA TYR 11 HA TYR 11 -6.097 5.122 -6.716
58 HB2 TYR 11 1HB TYR 11 -6.951 5.091 -3.815
59 HB3 TYR 11 2HB TYR 11 -5.587 5.975 -4.489
60 HD1 TYR 11 HD2 TYR 11 -9.250 5.828 -4.243
61 HD2 TYR 11 HD1 TYR 11 -5.915 8.034 -5.698
62 HE1 TYR 11 HE2 TYR 11 -10.715 7.760 -4.653
63 HE2 TYR 11 HE1 TYR 11 -7.371 9.973 -6.111
64 HH TYR 11 HH TYR 11 -9.537 10.646 -6.282
65 H SER 12 H SER 12 -4.567 3.683 -7.164
66 HA SER 12 HA SER 12 -3.883 1.696 -5.106
67 HB2 SER 12 1HB SER 12 -3.695 1.073 -8.049
68 HB3 SER 12 2HB SER 12 -3.647 -0.045 -6.686
69 HG SER 12 HG SER 12 -5.675 -0.068 -7.747
70 H CYS 13 H CYS 13 -1.724 1.319 -4.793
71 HA CYS 13 HA CYS 13 0.084 3.346 -5.620
72 HB2 CYS 13 1HB CYS 13 0.408 2.328 -3.473
73 HB3 CYS 13 2HB CYS 13 0.502 0.721 -4.186
74 H ASN 14 H ASN 14 2.176 2.924 -6.690
75 HA ASN 14 HA ASN 14 1.932 0.873 -8.792
76 HB2 ASN 14 1HB ASN 14 3.306 3.523 -9.205
77 HB3 ASN 14 2HB ASN 14 2.772 2.367 -10.422
78 HD21 ASN 14 1HD2 ASN 14 2.192 5.274 -9.851
79 HD22 ASN 14 2HD2 ASN 14 0.467 5.374 -9.885
80 H GLU 15 H GLU 15 4.027 2.664 -6.631
81 HA GLU 15 HA GLU 15 6.506 1.690 -7.497
82 HB2 GLU 15 1HB GLU 15 5.801 2.321 -4.633
83 HB3 GLU 15 2HB GLU 15 7.379 2.426 -5.399
84 HG2 GLU 15 1HG GLU 15 5.237 4.081 -6.572
85 HG3 GLU 15 2HG GLU 15 5.807 4.541 -4.969
86 H CYS 16 H CYS 16 4.929 0.672 -4.473
87 HA CYS 16 HA CYS 16 6.149 -1.970 -4.799
88 HB2 CYS 16 1HB CYS 16 5.825 -2.282 -2.457
89 HB3 CYS 16 2HB CYS 16 6.439 -0.645 -2.666
90 H GLY 17 H GLY 17 3.172 -0.388 -5.167
91 HA2 GLY 17 1HA GLY 17 1.246 -1.345 -6.099
92 HA3 GLY 17 2HA GLY 17 1.859 -2.937 -5.675
93 H LYS 18 H LYS 18 -0.594 -0.938 -5.087
94 HA LYS 18 HA LYS 18 -1.501 -2.321 -2.811
95 HB2 LYS 18 1HB LYS 18 0.262 -0.874 -1.752
96 HB3 LYS 18 2HB LYS 18 -0.681 0.530 -2.237
97 HG2 LYS 18 1HG LYS 18 -2.291 0.167 -0.672
98 HG3 LYS 18 2HG LYS 18 -2.054 -1.582 -0.670
99 HD2 LYS 18 1HD LYS 18 0.062 -1.284 0.536
100 HD3 LYS 18 2HD LYS 18 -0.195 0.463 0.546
101 HE2 LYS 18 1HE LYS 18 -1.945 0.325 2.055
102 HE3 LYS 18 2HE LYS 18 -2.283 -1.361 1.665
103 HZ1 LYS 18 3HZ LYS 18 0.253 -1.417 2.646
104 HZ2 LYS 18 1HZ LYS 18 -1.147 -1.829 3.503
105 HZ3 LYS 18 2HZ LYS 18 -0.507 -0.268 3.628
106 H ALA 19 H ALA 19 -3.488 -1.161 -1.839
107 HA ALA 19 HA ALA 19 -4.851 0.408 -3.924
108 HB1 ALA 19 3HB ALA 19 -5.911 -1.580 -4.302
109 HB2 ALA 19 1HB ALA 19 -5.712 -2.130 -2.637
110 HB3 ALA 19 2HB ALA 19 -6.943 -0.927 -3.029
111 H PHE 20 H PHE 20 -6.561 1.771 -3.177
112 HA PHE 20 HA PHE 20 -6.960 2.102 -0.335
113 HB2 PHE 20 1HB PHE 20 -5.627 4.272 -1.967
114 HB3 PHE 20 2HB PHE 20 -6.261 4.487 -0.338
115 HD1 PHE 20 HD2 PHE 20 -5.160 3.446 1.572
116 HD2 PHE 20 HD1 PHE 20 -3.572 3.108 -2.362
117 HE1 PHE 20 HE2 PHE 20 -3.008 2.706 2.508
118 HE2 PHE 20 HE1 PHE 20 -1.418 2.366 -1.433
119 HZ PHE 20 HZ PHE 20 -1.133 2.165 1.005
120 H THR 21 H THR 21 -8.889 3.044 0.132
121 HA THR 21 HA THR 21 -10.747 3.387 -2.023
122 HB THR 21 HB THR 21 -11.205 4.038 0.891
123 HG1 THR 21 HG1 THR 21 -11.518 1.937 1.241
124 HG21 THR 21 3HG2 THR 21 -12.817 4.510 -1.257
125 HG22 THR 21 1HG2 THR 21 -13.390 4.252 0.390
126 HG23 THR 21 2HG2 THR 21 -13.359 2.909 -0.753
127 H PHE 22 H PHE 22 -8.988 5.509 0.153
128 HA PHE 22 HA PHE 22 -10.167 7.829 -1.228
129 HB2 PHE 22 1HB PHE 22 -9.126 7.508 1.580
130 HB3 PHE 22 2HB PHE 22 -9.318 9.094 0.841
131 HD1 PHE 22 HD1 PHE 22 -11.750 9.214 -0.459
132 HD2 PHE 22 HD2 PHE 22 -10.806 6.955 3.023
133 HE1 PHE 22 HE1 PHE 22 -14.123 9.231 0.191
134 HE2 PHE 22 HE2 PHE 22 -13.178 6.968 3.678
135 HZ PHE 22 HZ PHE 22 -14.840 8.106 2.261
136 H LYS 23 H LYS 23 -8.823 9.451 -1.988
137 HA LYS 23 HA LYS 23 -6.349 8.717 -3.021
138 HB2 LYS 23 1HB LYS 23 -7.693 10.573 -3.905
139 HB3 LYS 23 2HB LYS 23 -7.378 11.502 -2.445
140 HG2 LYS 23 1HG LYS 23 -5.204 11.945 -3.028
141 HG3 LYS 23 2HG LYS 23 -5.075 10.515 -4.055
142 HD2 LYS 23 1HD LYS 23 -6.941 11.804 -5.433
143 HD3 LYS 23 2HD LYS 23 -6.194 13.202 -4.658
144 HE2 LYS 23 1HE LYS 23 -3.992 12.417 -5.504
145 HE3 LYS 23 2HE LYS 23 -4.829 11.136 -6.379
146 HZ1 LYS 23 3HZ LYS 23 -6.101 13.508 -7.036
147 HZ2 LYS 23 1HZ LYS 23 -5.111 12.562 -8.030
148 HZ3 LYS 23 2HZ LYS 23 -4.443 13.829 -7.131
149 H SER 24 H SER 24 -6.903 11.074 -0.397
150 HA SER 24 HA SER 24 -4.371 11.570 0.411
151 HB2 SER 24 1HB SER 24 -6.718 11.045 2.251
152 HB3 SER 24 2HB SER 24 -5.245 11.907 2.695
153 HG SER 24 HG SER 24 -6.974 12.697 0.590
154 H GLN 25 H GLN 25 -6.279 8.715 1.280
155 HA GLN 25 HA GLN 25 -4.484 7.544 3.062
156 HB2 GLN 25 1HB GLN 25 -6.535 6.357 1.203
157 HB3 GLN 25 2HB GLN 25 -5.585 5.364 2.301
158 HG2 GLN 25 1HG GLN 25 -6.446 6.957 4.132
159 HG3 GLN 25 2HG GLN 25 -7.657 7.420 2.938
160 HE21 GLN 25 1HE2 GLN 25 -8.806 6.474 4.992
161 HE22 GLN 25 2HE2 GLN 25 -9.273 4.818 4.843
162 H LEU 26 H LEU 26 -4.615 7.443 -0.454
163 HA LEU 26 HA LEU 26 -2.526 5.495 -0.705
164 HB2 LEU 26 1HB LEU 26 -3.938 5.486 -2.525
165 HB3 LEU 26 2HB LEU 26 -4.055 7.244 -2.574
166 HG LEU 26 HG LEU 26 -1.610 7.189 -3.355
167 HD11 LEU 26 1HD1 LEU 26 -1.799 4.714 -4.705
168 HD12 LEU 26 2HD1 LEU 26 -2.078 4.405 -2.992
169 HD13 LEU 26 3HD1 LEU 26 -0.604 5.223 -3.511
170 HD21 LEU 26 3HD2 LEU 26 -3.155 5.942 -5.499
171 HD22 LEU 26 1HD2 LEU 26 -2.417 7.542 -5.412
172 HD23 LEU 26 2HD2 LEU 26 -3.999 7.259 -4.684
173 H ILE 27 H ILE 27 -2.735 9.013 -1.166
174 HA ILE 27 HA ILE 27 -0.166 9.544 -2.002
175 HB ILE 27 HB ILE 27 -1.513 11.323 0.007
176 HG12 ILE 27 1HG1 ILE 27 -3.355 10.880 -1.357
177 HG13 ILE 27 2HG1 ILE 27 -2.647 12.301 -2.118
178 HG21 ILE 27 1HG2 ILE 27 0.202 11.802 -2.423
179 HG22 ILE 27 2HG2 ILE 27 -0.590 13.080 -1.503
180 HG23 ILE 27 3HG2 ILE 27 0.635 12.072 -0.734
181 HD11 ILE 27 3HD1 ILE 27 -2.631 9.462 -3.040
182 HD12 ILE 27 1HD1 ILE 27 -3.120 10.919 -3.905
183 HD13 ILE 27 2HD1 ILE 27 -1.410 10.601 -3.607
184 H VAL 28 H VAL 28 -1.342 9.100 1.307
185 HA VAL 28 HA VAL 28 1.055 9.743 2.632
186 HB VAL 28 HB VAL 28 -1.140 7.861 3.513
187 HG11 VAL 28 1HG1 VAL 28 -0.302 8.332 5.791
188 HG12 VAL 28 2HG1 VAL 28 0.871 7.470 4.793
189 HG13 VAL 28 3HG1 VAL 28 1.059 9.200 5.083
190 HG21 VAL 28 3HG2 VAL 28 -1.313 10.228 4.946
191 HG22 VAL 28 1HG2 VAL 28 -0.980 10.745 3.293
192 HG23 VAL 28 2HG2 VAL 28 -2.372 9.716 3.631
193 H HIS 29 H HIS 29 -0.233 6.643 1.482
194 HA HIS 29 HA HIS 29 1.932 5.084 2.460
195 HB2 HIS 29 1HB HIS 29 0.026 3.816 2.074
196 HB3 HIS 29 2HB HIS 29 -0.322 4.617 0.545
197 HD1 HIS 29 HD1 HIS 29 1.435 1.718 2.003
198 HD2 HIS 29 HD2 HIS 29 1.228 3.663 -1.663
199 HE1 HIS 29 HE1 HIS 29 2.454 0.130 0.340
200 H LYS 30 H LYS 30 1.421 6.973 -0.397
201 HA LYS 30 HA LYS 30 3.415 5.745 -2.017
202 HB2 LYS 30 1HB LYS 30 2.025 8.417 -2.126
203 HB3 LYS 30 2HB LYS 30 3.258 7.957 -3.292
204 HG2 LYS 30 1HG LYS 30 1.824 5.889 -3.727
205 HG3 LYS 30 2HG LYS 30 0.551 6.748 -2.856
206 HD2 LYS 30 1HD LYS 30 2.016 7.837 -5.258
207 HD3 LYS 30 2HD LYS 30 0.445 7.036 -5.324
208 HE2 LYS 30 1HE LYS 30 -0.572 8.752 -4.028
209 HE3 LYS 30 2HE LYS 30 0.990 9.462 -3.625
210 HZ1 LYS 30 3HZ LYS 30 -0.432 9.510 -6.216
211 HZ2 LYS 30 1HZ LYS 30 1.228 9.822 -6.114
212 HZ3 LYS 30 2HZ LYS 30 0.129 10.815 -5.297
213 H GLY 31 H GLY 31 3.445 8.202 0.453
214 HA2 GLY 31 1HA GLY 31 5.839 9.508 -0.117
215 HA3 GLY 31 2HA GLY 31 5.175 9.290 1.496
216 H VAL 32 H VAL 32 5.290 6.424 1.501
217 HA VAL 32 HA VAL 32 7.737 5.949 2.649
218 HB VAL 32 HB VAL 32 7.282 3.633 2.556
219 HG11 VAL 32 1HG1 VAL 32 5.259 3.576 3.601
220 HG12 VAL 32 2HG1 VAL 32 5.509 5.323 3.580
221 HG13 VAL 32 3HG1 VAL 32 4.471 4.565 2.372
222 HG21 VAL 32 3HG2 VAL 32 5.406 2.826 0.966
223 HG22 VAL 32 1HG2 VAL 32 5.751 4.307 0.073
224 HG23 VAL 32 2HG2 VAL 32 7.019 3.104 0.309
225 H HIS 33 H HIS 33 6.890 5.901 -0.739
226 HA HIS 33 HA HIS 33 9.476 4.790 -1.493
227 HB2 HIS 33 1HB HIS 33 7.390 5.804 -3.409
228 HB3 HIS 33 2HB HIS 33 8.620 4.573 -3.675
229 HD1 HIS 33 HD1 HIS 33 8.208 2.394 -1.913
230 HD2 HIS 33 HD2 HIS 33 4.956 4.705 -3.073
231 HE1 HIS 33 HE1 HIS 33 6.183 0.960 -1.502
232 H THR 34 H THR 34 7.626 7.790 -1.889
233 HA THR 34 HA THR 34 9.274 9.274 -3.475
234 HB THR 34 HB THR 34 8.444 11.278 -2.385
235 HG1 THR 34 HG1 THR 34 8.627 10.016 -0.196
236 HG21 THR 34 3HG2 THR 34 5.936 10.058 -2.038
237 HG22 THR 34 1HG2 THR 34 6.772 9.115 -3.270
238 HG23 THR 34 2HG2 THR 34 6.554 10.852 -3.486
239 H GLY 35 H GLY 35 11.232 10.210 -3.341
240 HA2 GLY 35 1HA GLY 35 12.553 11.239 -1.187
241 HA3 GLY 35 2HA GLY 35 12.935 9.524 -1.127
242 H VAL 36 H VAL 36 12.718 12.030 -3.660
243 HA VAL 36 HA VAL 36 14.962 10.872 -5.062
244 HB VAL 36 HB VAL 36 14.632 12.683 -6.688
245 HG11 VAL 36 1HG1 VAL 36 11.931 11.568 -6.001
246 HG12 VAL 36 2HG1 VAL 36 12.625 11.883 -7.593
247 HG13 VAL 36 3HG1 VAL 36 13.231 10.546 -6.614
248 HG21 VAL 36 3HG2 VAL 36 13.974 14.579 -5.562
249 HG22 VAL 36 1HG2 VAL 36 12.439 14.046 -6.248
250 HG23 VAL 36 2HG2 VAL 36 12.814 13.711 -4.557
251 H LYS 37 H LYS 37 17.001 11.700 -5.257
252 HA LYS 37 HA LYS 37 17.693 14.267 -4.133
253 HB2 LYS 37 1HB LYS 37 17.636 12.493 -2.236
254 HB3 LYS 37 2HB LYS 37 19.121 11.896 -2.966
255 HG2 LYS 37 1HG LYS 37 20.276 13.886 -2.505
256 HG3 LYS 37 2HG LYS 37 18.786 14.769 -2.166
257 HD2 LYS 37 1HD LYS 37 19.420 12.389 -0.498
258 HD3 LYS 37 2HD LYS 37 20.345 13.867 -0.225
259 HE2 LYS 37 1HE LYS 37 17.334 13.722 -0.244
260 HE3 LYS 37 2HE LYS 37 18.321 13.643 1.214
261 HZ1 LYS 37 3HZ LYS 37 18.424 15.840 1.243
262 HZ2 LYS 37 1HZ LYS 37 17.416 15.915 -0.114
263 HZ3 LYS 37 2HZ LYS 37 19.096 15.877 -0.309
264 HA PRO 38 HA PRO 38 20.612 13.912 -7.428
265 HB2 PRO 38 1HB PRO 38 22.132 16.074 -6.809
266 HB3 PRO 38 2HB PRO 38 20.526 16.205 -7.536
267 HG2 PRO 38 1HG PRO 38 21.339 16.501 -4.670
268 HG3 PRO 38 2HG PRO 38 20.210 17.485 -5.620
269 HD2 PRO 38 1HD PRO 38 19.378 15.574 -3.892
270 HD3 PRO 38 2HD PRO 38 18.488 15.973 -5.376
271 H SER 39 H SER 39 21.241 13.327 -4.201
272 HA SER 39 HA SER 39 23.844 13.375 -3.643
273 HB2 SER 39 1HB SER 39 23.608 11.117 -2.568
274 HB3 SER 39 2HB SER 39 22.316 12.245 -2.160
275 HG SER 39 HG SER 39 20.918 11.069 -3.256
276 H GLY 40 H GLY 40 22.453 10.710 -5.573
277 HA2 GLY 40 1HA GLY 40 23.492 10.048 -7.658
278 HA3 GLY 40 2HA GLY 40 25.040 10.526 -6.978
279 HA PRO 41 HA PRO 41 24.100 5.894 -6.410
280 HB2 PRO 41 1HB PRO 41 25.772 4.920 -8.314
281 HB3 PRO 41 2HB PRO 41 24.077 5.307 -8.631
282 HG2 PRO 41 1HG PRO 41 26.530 6.919 -9.218
283 HG3 PRO 41 2HG PRO 41 25.105 6.641 -10.235
284 HD2 PRO 41 1HD PRO 41 25.460 8.920 -8.817
285 HD3 PRO 41 2HD PRO 41 23.854 8.235 -9.137
286 H SER 42 H SER 42 25.234 6.374 -4.435
287 HA SER 42 HA SER 42 28.156 6.231 -4.564
288 HB2 SER 42 1HB SER 42 27.003 8.013 -3.191
289 HB3 SER 42 2HB SER 42 26.442 6.727 -2.122
290 HG SER 42 HG SER 42 28.561 7.922 -1.699
291 H SER 43 H SER 43 28.366 4.024 -5.057
292 HA SER 43 HA SER 43 28.584 2.304 -2.837
293 HB2 SER 43 1HB SER 43 26.863 0.630 -3.443
294 HB3 SER 43 2HB SER 43 26.148 2.174 -2.979
295 HG SER 43 HG SER 43 26.691 1.567 -5.679
296 H GLY 44 H GLY 44 29.346 0.143 -3.438
297 HA2 GLY 44 1HA GLY 44 29.785 -1.106 -5.712
298 HA3 GLY 44 2HA GLY 44 30.843 0.278 -5.950
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.515 -10.822 11.928
2 HA2 GLY 1 1HA GLY 1 -12.661 -12.641 10.191
3 HA3 GLY 1 2HA GLY 1 -13.571 -11.638 11.310
4 H SER 2 H SER 2 -11.703 -10.904 8.368
5 HA SER 2 HA SER 2 -13.580 -8.970 7.481
6 HB2 SER 2 1HB SER 2 -11.104 -9.085 6.893
7 HB3 SER 2 2HB SER 2 -11.531 -10.355 5.746
8 HG SER 2 HG SER 2 -12.676 -8.919 4.564
9 H SER 3 H SER 3 -15.197 -9.082 5.989
10 HA SER 3 HA SER 3 -15.978 -11.788 5.137
11 HB2 SER 3 1HB SER 3 -17.599 -10.634 6.596
12 HB3 SER 3 2HB SER 3 -17.695 -9.310 5.435
13 HG SER 3 HG SER 3 -18.169 -11.385 4.003
14 H GLY 4 H GLY 4 -14.523 -11.661 3.314
15 HA2 GLY 4 1HA GLY 4 -14.052 -11.304 1.096
16 HA3 GLY 4 2HA GLY 4 -15.774 -11.000 0.914
17 H SER 5 H SER 5 -13.921 -9.680 -0.645
18 HA SER 5 HA SER 5 -13.903 -6.961 0.490
19 HB2 SER 5 1HB SER 5 -12.014 -8.418 -1.297
20 HB3 SER 5 2HB SER 5 -12.208 -6.684 -1.549
21 HG SER 5 HG SER 5 -10.546 -7.467 0.025
22 H SER 6 H SER 6 -16.013 -6.447 -0.140
23 HA SER 6 HA SER 6 -16.711 -6.607 -2.961
24 HB2 SER 6 1HB SER 6 -18.300 -7.093 -0.974
25 HB3 SER 6 2HB SER 6 -18.416 -5.340 -0.828
26 HG SER 6 HG SER 6 -20.054 -6.229 -2.174
27 H GLY 7 H GLY 7 -15.867 -5.073 -4.223
28 HA2 GLY 7 1HA GLY 7 -16.353 -2.714 -4.874
29 HA3 GLY 7 2HA GLY 7 -15.920 -2.292 -3.224
30 H GLU 8 H GLU 8 -14.823 -1.881 -6.144
31 HA GLU 8 HA GLU 8 -12.058 -2.709 -5.673
32 HB2 GLU 8 1HB GLU 8 -13.325 -1.449 -8.112
33 HB3 GLU 8 2HB GLU 8 -11.670 -2.031 -8.004
34 HG2 GLU 8 1HG GLU 8 -13.958 -3.874 -7.466
35 HG3 GLU 8 2HG GLU 8 -13.466 -3.509 -9.119
36 H LYS 9 H LYS 9 -10.494 -1.340 -5.089
37 HA LYS 9 HA LYS 9 -11.176 1.369 -4.412
38 HB2 LYS 9 1HB LYS 9 -8.799 -0.397 -4.051
39 HB3 LYS 9 2HB LYS 9 -8.564 1.342 -3.935
40 HG2 LYS 9 1HG LYS 9 -9.834 1.525 -2.028
41 HG3 LYS 9 2HG LYS 9 -10.754 0.058 -2.372
42 HD2 LYS 9 1HD LYS 9 -8.711 -1.272 -1.923
43 HD3 LYS 9 2HD LYS 9 -7.877 0.217 -1.474
44 HE2 LYS 9 1HE LYS 9 -8.574 -0.692 0.564
45 HE3 LYS 9 2HE LYS 9 -9.773 0.551 0.211
46 HZ1 LYS 9 3HZ LYS 9 -10.141 -2.326 -0.414
47 HZ2 LYS 9 1HZ LYS 9 -11.302 -1.101 -0.526
48 HZ3 LYS 9 2HZ LYS 9 -10.724 -1.583 0.989
49 HA PRO 10 HA PRO 10 -10.018 2.914 -8.443
50 HB2 PRO 10 1HB PRO 10 -10.638 5.503 -7.911
51 HB3 PRO 10 2HB PRO 10 -11.858 4.280 -8.287
52 HG2 PRO 10 1HG PRO 10 -11.004 5.347 -5.624
53 HG3 PRO 10 2HG PRO 10 -12.639 5.010 -6.222
54 HD2 PRO 10 1HD PRO 10 -11.313 3.318 -4.576
55 HD3 PRO 10 2HD PRO 10 -12.463 2.750 -5.804
56 H TYR 11 H TYR 11 -8.418 3.124 -5.590
57 HA TYR 11 HA TYR 11 -6.292 4.775 -6.778
58 HB2 TYR 11 1HB TYR 11 -7.096 4.782 -3.861
59 HB3 TYR 11 2HB TYR 11 -5.776 5.703 -4.574
60 HD1 TYR 11 HD2 TYR 11 -9.443 5.376 -4.379
61 HD2 TYR 11 HD1 TYR 11 -6.184 7.750 -5.739
62 HE1 TYR 11 HE2 TYR 11 -10.991 7.235 -4.825
63 HE2 TYR 11 HE1 TYR 11 -7.723 9.616 -6.187
64 HH TYR 11 HH TYR 11 -10.376 10.137 -5.004
65 H SER 12 H SER 12 -4.676 3.430 -7.210
66 HA SER 12 HA SER 12 -3.882 1.494 -5.140
67 HB2 SER 12 1HB SER 12 -3.159 -0.012 -7.049
68 HB3 SER 12 2HB SER 12 -4.901 0.166 -6.844
69 HG SER 12 HG SER 12 -3.674 0.502 -9.041
70 H CYS 13 H CYS 13 -1.614 0.866 -5.220
71 HA CYS 13 HA CYS 13 0.055 3.136 -5.994
72 HB2 CYS 13 1HB CYS 13 0.368 2.476 -3.726
73 HB3 CYS 13 2HB CYS 13 0.509 0.778 -4.167
74 H ASN 14 H ASN 14 2.023 2.864 -7.142
75 HA ASN 14 HA ASN 14 2.007 0.516 -8.917
76 HB2 ASN 14 1HB ASN 14 3.398 3.124 -9.502
77 HB3 ASN 14 2HB ASN 14 2.936 1.855 -10.632
78 HD21 ASN 14 1HD2 ASN 14 2.321 4.635 -10.819
79 HD22 ASN 14 2HD2 ASN 14 0.600 4.782 -10.785
80 H GLU 15 H GLU 15 4.101 2.673 -7.052
81 HA GLU 15 HA GLU 15 6.585 1.677 -7.600
82 HB2 GLU 15 1HB GLU 15 5.614 2.375 -4.826
83 HB3 GLU 15 2HB GLU 15 7.275 2.413 -5.400
84 HG2 GLU 15 1HG GLU 15 5.329 4.067 -6.880
85 HG3 GLU 15 2HG GLU 15 5.725 4.580 -5.241
86 H CYS 16 H CYS 16 4.915 0.650 -4.634
87 HA CYS 16 HA CYS 16 6.181 -1.981 -4.923
88 HB2 CYS 16 1HB CYS 16 5.844 -2.265 -2.552
89 HB3 CYS 16 2HB CYS 16 6.575 -0.687 -2.824
90 H GLY 17 H GLY 17 3.164 -0.393 -5.120
91 HA2 GLY 17 1HA GLY 17 1.231 -1.389 -6.037
92 HA3 GLY 17 2HA GLY 17 1.849 -2.966 -5.567
93 H LYS 18 H LYS 18 -0.623 -1.025 -5.024
94 HA LYS 18 HA LYS 18 -1.433 -2.285 -2.644
95 HB2 LYS 18 1HB LYS 18 0.319 -0.690 -1.750
96 HB3 LYS 18 2HB LYS 18 -0.735 0.626 -2.252
97 HG2 LYS 18 1HG LYS 18 -2.238 0.245 -0.591
98 HG3 LYS 18 2HG LYS 18 -1.904 -1.487 -0.533
99 HD2 LYS 18 1HD LYS 18 0.266 -1.002 0.536
100 HD3 LYS 18 2HD LYS 18 -0.136 0.717 0.531
101 HE2 LYS 18 1HE LYS 18 -0.715 0.030 2.678
102 HE3 LYS 18 2HE LYS 18 -2.251 0.008 1.812
103 HZ1 LYS 18 3HZ LYS 18 -1.766 -1.981 3.239
104 HZ2 LYS 18 1HZ LYS 18 -0.560 -2.403 2.131
105 HZ3 LYS 18 2HZ LYS 18 -2.175 -2.325 1.634
106 H ALA 19 H ALA 19 -3.405 -1.027 -1.667
107 HA ALA 19 HA ALA 19 -4.875 0.320 -3.830
108 HB1 ALA 19 3HB ALA 19 -5.942 -1.672 -4.044
109 HB2 ALA 19 1HB ALA 19 -5.598 -2.163 -2.385
110 HB3 ALA 19 2HB ALA 19 -6.894 -1.012 -2.714
111 H PHE 20 H PHE 20 -6.645 1.651 -3.116
112 HA PHE 20 HA PHE 20 -6.987 2.185 -0.311
113 HB2 PHE 20 1HB PHE 20 -5.678 4.260 -2.080
114 HB3 PHE 20 2HB PHE 20 -6.304 4.571 -0.464
115 HD1 PHE 20 HD2 PHE 20 -5.225 3.529 1.499
116 HD2 PHE 20 HD1 PHE 20 -3.579 3.213 -2.413
117 HE1 PHE 20 HE2 PHE 20 -3.064 2.860 2.466
118 HE2 PHE 20 HE1 PHE 20 -1.415 2.543 -1.453
119 HZ PHE 20 HZ PHE 20 -1.155 2.367 0.990
120 H THR 21 H THR 21 -8.830 3.390 0.134
121 HA THR 21 HA THR 21 -10.765 3.475 -2.000
122 HB THR 21 HB THR 21 -11.121 4.431 0.844
123 HG1 THR 21 HG1 THR 21 -11.477 1.841 -0.293
124 HG21 THR 21 3HG2 THR 21 -13.011 5.169 -0.208
125 HG22 THR 21 1HG2 THR 21 -13.515 3.517 0.146
126 HG23 THR 21 2HG2 THR 21 -12.928 3.934 -1.464
127 H PHE 22 H PHE 22 -9.077 5.821 0.039
128 HA PHE 22 HA PHE 22 -10.104 7.965 -1.702
129 HB2 PHE 22 1HB PHE 22 -9.607 7.841 1.231
130 HB3 PHE 22 2HB PHE 22 -9.284 9.368 0.416
131 HD1 PHE 22 HD2 PHE 22 -11.869 6.928 1.317
132 HD2 PHE 22 HD1 PHE 22 -11.063 10.713 -0.454
133 HE1 PHE 22 HE2 PHE 22 -14.264 7.479 1.414
134 HE2 PHE 22 HE1 PHE 22 -13.457 11.271 -0.359
135 HZ PHE 22 HZ PHE 22 -15.062 9.652 0.574
136 H LYS 23 H LYS 23 -8.648 9.726 -2.168
137 HA LYS 23 HA LYS 23 -6.148 8.916 -3.086
138 HB2 LYS 23 1HB LYS 23 -7.454 10.930 -3.842
139 HB3 LYS 23 2HB LYS 23 -6.922 11.750 -2.380
140 HG2 LYS 23 1HG LYS 23 -5.323 12.502 -3.788
141 HG3 LYS 23 2HG LYS 23 -4.542 10.997 -3.297
142 HD2 LYS 23 1HD LYS 23 -4.352 10.755 -5.549
143 HD3 LYS 23 2HD LYS 23 -5.965 10.066 -5.351
144 HE2 LYS 23 1HE LYS 23 -5.377 12.940 -6.056
145 HE3 LYS 23 2HE LYS 23 -5.831 11.687 -7.210
146 HZ1 LYS 23 3HZ LYS 23 -7.854 11.419 -5.627
147 HZ2 LYS 23 1HZ LYS 23 -7.839 12.665 -6.771
148 HZ3 LYS 23 2HZ LYS 23 -7.470 12.997 -5.155
149 H SER 24 H SER 24 -6.714 11.220 -0.419
150 HA SER 24 HA SER 24 -4.287 11.582 0.612
151 HB2 SER 24 1HB SER 24 -5.302 11.586 2.902
152 HB3 SER 24 2HB SER 24 -6.232 12.501 1.715
153 HG SER 24 HG SER 24 -6.829 10.077 2.972
154 H GLN 25 H GLN 25 -6.257 8.744 1.504
155 HA GLN 25 HA GLN 25 -4.467 7.411 3.092
156 HB2 GLN 25 1HB GLN 25 -6.393 6.242 1.078
157 HB3 GLN 25 2HB GLN 25 -5.580 5.310 2.328
158 HG2 GLN 25 1HG GLN 25 -6.661 7.125 3.902
159 HG3 GLN 25 2HG GLN 25 -7.793 7.273 2.559
160 HE21 GLN 25 1HE2 GLN 25 -7.803 4.617 1.705
161 HE22 GLN 25 2HE2 GLN 25 -8.569 3.652 2.916
162 H LEU 26 H LEU 26 -4.632 7.390 -0.443
163 HA LEU 26 HA LEU 26 -2.498 5.522 -0.767
164 HB2 LEU 26 1HB LEU 26 -4.111 5.721 -2.510
165 HB3 LEU 26 2HB LEU 26 -3.828 7.455 -2.652
166 HG LEU 26 HG LEU 26 -1.581 6.995 -3.546
167 HD11 LEU 26 1HD1 LEU 26 -1.801 4.562 -2.378
168 HD12 LEU 26 2HD1 LEU 26 -0.640 4.960 -3.643
169 HD13 LEU 26 3HD1 LEU 26 -2.157 4.163 -4.058
170 HD21 LEU 26 3HD2 LEU 26 -3.037 5.349 -5.406
171 HD22 LEU 26 1HD2 LEU 26 -2.489 7.017 -5.572
172 HD23 LEU 26 2HD2 LEU 26 -4.046 6.672 -4.819
173 H ILE 27 H ILE 27 -2.736 9.008 -0.567
174 HA ILE 27 HA ILE 27 -0.171 9.646 -1.548
175 HB ILE 27 HB ILE 27 -1.668 11.212 0.548
176 HG12 ILE 27 1HG1 ILE 27 -3.260 10.791 -1.190
177 HG13 ILE 27 2HG1 ILE 27 -2.664 12.431 -1.420
178 HG21 ILE 27 1HG2 ILE 27 0.598 11.966 0.133
179 HG22 ILE 27 2HG2 ILE 27 0.284 12.025 -1.601
180 HG23 ILE 27 3HG2 ILE 27 -0.556 13.131 -0.515
181 HD11 ILE 27 3HD1 ILE 27 -2.657 11.606 -3.561
182 HD12 ILE 27 1HD1 ILE 27 -0.994 11.307 -3.058
183 HD13 ILE 27 2HD1 ILE 27 -2.168 9.990 -3.053
184 H VAL 28 H VAL 28 -1.354 8.902 1.700
185 HA VAL 28 HA VAL 28 1.033 9.477 3.086
186 HB VAL 28 HB VAL 28 -1.099 7.472 3.837
187 HG11 VAL 28 1HG1 VAL 28 0.552 6.998 5.338
188 HG12 VAL 28 2HG1 VAL 28 1.252 8.615 5.248
189 HG13 VAL 28 3HG1 VAL 28 -0.222 8.342 6.177
190 HG21 VAL 28 3HG2 VAL 28 -1.045 10.404 3.838
191 HG22 VAL 28 1HG2 VAL 28 -2.414 9.292 3.879
192 HG23 VAL 28 2HG2 VAL 28 -1.547 9.680 5.365
193 H HIS 29 H HIS 29 -0.199 6.500 1.619
194 HA HIS 29 HA HIS 29 1.983 4.883 2.501
195 HB2 HIS 29 1HB HIS 29 0.105 3.607 2.047
196 HB3 HIS 29 2HB HIS 29 -0.301 4.528 0.602
197 HD1 HIS 29 HD1 HIS 29 1.883 1.726 1.796
198 HD2 HIS 29 HD2 HIS 29 0.864 3.620 -1.758
199 HE1 HIS 29 HE1 HIS 29 2.796 0.261 -0.032
200 H LYS 30 H LYS 30 1.325 6.841 -0.316
201 HA LYS 30 HA LYS 30 3.398 5.791 -1.956
202 HB2 LYS 30 1HB LYS 30 1.692 8.251 -2.009
203 HB3 LYS 30 2HB LYS 30 3.087 8.146 -3.075
204 HG2 LYS 30 1HG LYS 30 2.075 5.865 -3.767
205 HG3 LYS 30 2HG LYS 30 0.589 6.509 -3.063
206 HD2 LYS 30 1HD LYS 30 0.683 8.423 -4.553
207 HD3 LYS 30 2HD LYS 30 2.220 7.860 -5.214
208 HE2 LYS 30 1HE LYS 30 1.159 5.902 -6.133
209 HE3 LYS 30 2HE LYS 30 -0.368 6.318 -5.355
210 HZ1 LYS 30 3HZ LYS 30 -0.893 7.679 -7.012
211 HZ2 LYS 30 1HZ LYS 30 0.398 7.014 -7.880
212 HZ3 LYS 30 2HZ LYS 30 0.620 8.438 -6.995
213 H GLY 31 H GLY 31 3.281 8.163 0.584
214 HA2 GLY 31 1HA GLY 31 5.562 9.665 0.034
215 HA3 GLY 31 2HA GLY 31 4.940 9.341 1.645
216 H VAL 32 H VAL 32 5.272 6.433 1.343
217 HA VAL 32 HA VAL 32 7.824 6.162 2.461
218 HB VAL 32 HB VAL 32 7.475 3.842 2.485
219 HG11 VAL 32 1HG1 VAL 32 4.600 4.422 2.377
220 HG12 VAL 32 2HG1 VAL 32 5.585 3.790 3.699
221 HG13 VAL 32 3HG1 VAL 32 5.539 5.525 3.382
222 HG21 VAL 32 3HG2 VAL 32 5.679 4.270 0.107
223 HG22 VAL 32 1HG2 VAL 32 7.187 3.359 0.178
224 HG23 VAL 32 2HG2 VAL 32 5.751 2.754 1.004
225 H HIS 33 H HIS 33 6.771 6.186 -0.837
226 HA HIS 33 HA HIS 33 9.320 5.119 -1.787
227 HB2 HIS 33 1HB HIS 33 7.025 6.047 -3.506
228 HB3 HIS 33 2HB HIS 33 8.317 4.927 -3.927
229 HD1 HIS 33 HD1 HIS 33 8.236 2.700 -2.136
230 HD2 HIS 33 HD2 HIS 33 4.727 4.717 -3.075
231 HE1 HIS 33 HE1 HIS 33 6.375 1.089 -1.620
232 H THR 34 H THR 34 7.575 8.102 -1.471
233 HA THR 34 HA THR 34 9.422 9.547 -3.197
234 HB THR 34 HB THR 34 8.012 11.409 -3.015
235 HG1 THR 34 HG1 THR 34 6.389 11.517 -1.335
236 HG21 THR 34 3HG2 THR 34 5.932 10.628 -3.721
237 HG22 THR 34 1HG2 THR 34 5.974 9.242 -2.631
238 HG23 THR 34 2HG2 THR 34 7.003 9.270 -4.063
239 H GLY 35 H GLY 35 10.778 8.405 -1.108
240 HA2 GLY 35 1HA GLY 35 11.242 10.640 0.761
241 HA3 GLY 35 2HA GLY 35 11.617 8.958 1.102
242 H VAL 36 H VAL 36 13.687 8.432 0.975
243 HA VAL 36 HA VAL 36 15.397 9.874 -0.938
244 HB VAL 36 HB VAL 36 15.715 10.711 1.413
245 HG11 VAL 36 1HG1 VAL 36 16.498 9.389 3.116
246 HG12 VAL 36 2HG1 VAL 36 15.461 8.240 2.268
247 HG13 VAL 36 3HG1 VAL 36 17.207 8.205 2.019
248 HG21 VAL 36 3HG2 VAL 36 17.814 11.227 0.844
249 HG22 VAL 36 1HG2 VAL 36 18.321 9.538 0.859
250 HG23 VAL 36 2HG2 VAL 36 17.553 10.216 -0.577
251 H LYS 37 H LYS 37 14.070 7.072 -0.486
252 HA LYS 37 HA LYS 37 16.481 5.553 -1.229
253 HB2 LYS 37 1HB LYS 37 15.627 3.607 -0.065
254 HB3 LYS 37 2HB LYS 37 15.736 4.959 1.054
255 HG2 LYS 37 1HG LYS 37 13.274 5.349 0.601
256 HG3 LYS 37 2HG LYS 37 13.277 3.773 -0.193
257 HD2 LYS 37 1HD LYS 37 13.868 2.661 1.813
258 HD3 LYS 37 2HD LYS 37 14.269 4.179 2.620
259 HE2 LYS 37 1HE LYS 37 11.791 4.782 2.199
260 HE3 LYS 37 2HE LYS 37 11.578 3.052 1.938
261 HZ1 LYS 37 3HZ LYS 37 12.315 2.596 4.131
262 HZ2 LYS 37 1HZ LYS 37 11.156 3.823 4.252
263 HZ3 LYS 37 2HZ LYS 37 12.799 4.197 4.386
264 HA PRO 38 HA PRO 38 14.253 4.519 -4.885
265 HB2 PRO 38 1HB PRO 38 15.635 2.296 -5.605
266 HB3 PRO 38 2HB PRO 38 16.288 3.930 -5.775
267 HG2 PRO 38 1HG PRO 38 16.788 1.905 -3.628
268 HG3 PRO 38 2HG PRO 38 17.942 2.969 -4.454
269 HD2 PRO 38 1HD PRO 38 16.969 3.511 -1.986
270 HD3 PRO 38 2HD PRO 38 17.395 4.786 -3.145
271 H SER 39 H SER 39 13.383 2.384 -5.954
272 HA SER 39 HA SER 39 11.249 1.446 -4.547
273 HB2 SER 39 1HB SER 39 12.836 -0.055 -6.644
274 HB3 SER 39 2HB SER 39 11.209 -0.484 -6.114
275 HG SER 39 HG SER 39 11.988 1.390 -7.896
276 H GLY 40 H GLY 40 10.818 -0.111 -3.069
277 HA2 GLY 40 1HA GLY 40 11.912 -2.434 -2.416
278 HA3 GLY 40 2HA GLY 40 13.122 -1.339 -1.763
279 HA PRO 41 HA PRO 41 8.970 -0.777 0.717
280 HB2 PRO 41 1HB PRO 41 7.320 -2.930 0.622
281 HB3 PRO 41 2HB PRO 41 7.190 -1.571 -0.500
282 HG2 PRO 41 1HG PRO 41 8.485 -4.240 -0.900
283 HG3 PRO 41 2HG PRO 41 7.453 -3.319 -2.010
284 HD2 PRO 41 1HD PRO 41 10.152 -3.369 -2.230
285 HD3 PRO 41 2HD PRO 41 9.183 -1.951 -2.681
286 H SER 42 H SER 42 10.276 -0.979 2.502
287 HA SER 42 HA SER 42 11.464 -1.992 4.198
288 HB2 SER 42 1HB SER 42 9.976 -3.428 5.600
289 HB3 SER 42 2HB SER 42 9.222 -1.910 5.113
290 HG SER 42 HG SER 42 8.191 -4.232 4.807
291 H SER 43 H SER 43 12.205 -3.129 1.767
292 HA SER 43 HA SER 43 13.135 -5.705 2.672
293 HB2 SER 43 1HB SER 43 12.243 -7.023 0.876
294 HB3 SER 43 2HB SER 43 10.890 -6.168 1.616
295 HG SER 43 HG SER 43 11.951 -5.942 -0.911
296 H GLY 44 H GLY 44 15.243 -5.456 2.322
297 HA2 GLY 44 1HA GLY 44 17.027 -5.630 0.702
298 HA3 GLY 44 2HA GLY 44 16.096 -4.587 -0.363
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -4.226 -18.117 4.938
2 HA2 GLY 1 1HA GLY 1 -6.471 -17.480 4.758
3 HA3 GLY 1 2HA GLY 1 -5.701 -15.921 5.014
4 H SER 2 H SER 2 -7.408 -14.929 3.838
5 HA SER 2 HA SER 2 -7.060 -15.171 0.928
6 HB2 SER 2 1HB SER 2 -9.707 -14.869 2.370
7 HB3 SER 2 2HB SER 2 -9.486 -14.854 0.620
8 HG SER 2 HG SER 2 -9.695 -16.934 0.760
9 H SER 3 H SER 3 -8.340 -13.178 3.574
10 HA SER 3 HA SER 3 -8.645 -10.915 3.754
11 HB2 SER 3 1HB SER 3 -6.610 -9.625 3.401
12 HB3 SER 3 2HB SER 3 -6.200 -11.192 4.099
13 HG SER 3 HG SER 3 -5.125 -11.668 2.357
14 H GLY 4 H GLY 4 -10.006 -11.890 1.548
15 HA2 GLY 4 1HA GLY 4 -9.440 -10.008 -0.630
16 HA3 GLY 4 2HA GLY 4 -10.515 -11.395 -0.720
17 H SER 5 H SER 5 -10.238 -8.044 -0.029
18 HA SER 5 HA SER 5 -12.888 -7.830 1.126
19 HB2 SER 5 1HB SER 5 -11.292 -6.301 2.018
20 HB3 SER 5 2HB SER 5 -10.773 -5.796 0.410
21 HG SER 5 HG SER 5 -12.645 -4.710 1.910
22 H SER 6 H SER 6 -14.675 -7.705 -0.042
23 HA SER 6 HA SER 6 -14.684 -7.592 -2.858
24 HB2 SER 6 1HB SER 6 -16.484 -8.662 -1.569
25 HB3 SER 6 2HB SER 6 -16.961 -7.091 -0.923
26 HG SER 6 HG SER 6 -17.140 -6.541 -3.301
27 H GLY 7 H GLY 7 -15.005 -5.957 -4.289
28 HA2 GLY 7 1HA GLY 7 -16.050 -3.677 -4.556
29 HA3 GLY 7 2HA GLY 7 -15.099 -3.234 -3.146
30 H GLU 8 H GLU 8 -14.489 -1.559 -4.871
31 HA GLU 8 HA GLU 8 -11.947 -2.421 -6.021
32 HB2 GLU 8 1HB GLU 8 -14.078 -0.968 -7.600
33 HB3 GLU 8 2HB GLU 8 -12.433 -1.252 -8.148
34 HG2 GLU 8 1HG GLU 8 -12.880 -3.707 -7.917
35 HG3 GLU 8 2HG GLU 8 -14.571 -3.298 -7.632
36 H LYS 9 H LYS 9 -10.397 -1.026 -5.519
37 HA LYS 9 HA LYS 9 -11.149 1.603 -4.485
38 HB2 LYS 9 1HB LYS 9 -8.757 -0.168 -4.196
39 HB3 LYS 9 2HB LYS 9 -8.570 1.562 -3.940
40 HG2 LYS 9 1HG LYS 9 -9.825 1.559 -2.034
41 HG3 LYS 9 2HG LYS 9 -10.782 0.163 -2.534
42 HD2 LYS 9 1HD LYS 9 -8.772 -1.262 -2.195
43 HD3 LYS 9 2HD LYS 9 -7.926 0.151 -1.560
44 HE2 LYS 9 1HE LYS 9 -9.729 0.355 0.160
45 HE3 LYS 9 2HE LYS 9 -10.380 -1.178 -0.419
46 HZ1 LYS 9 3HZ LYS 9 -8.969 -2.201 0.924
47 HZ2 LYS 9 1HZ LYS 9 -8.268 -0.734 1.392
48 HZ3 LYS 9 2HZ LYS 9 -7.669 -1.567 0.047
49 HA PRO 10 HA PRO 10 -9.925 3.326 -8.422
50 HB2 PRO 10 1HB PRO 10 -10.514 5.895 -7.772
51 HB3 PRO 10 2HB PRO 10 -11.748 4.709 -8.217
52 HG2 PRO 10 1HG PRO 10 -10.904 5.635 -5.498
53 HG3 PRO 10 2HG PRO 10 -12.538 5.351 -6.126
54 HD2 PRO 10 1HD PRO 10 -11.250 3.564 -4.551
55 HD3 PRO 10 2HD PRO 10 -12.396 3.071 -5.814
56 H TYR 11 H TYR 11 -8.349 3.377 -5.548
57 HA TYR 11 HA TYR 11 -6.175 5.021 -6.649
58 HB2 TYR 11 1HB TYR 11 -7.036 4.999 -3.749
59 HB3 TYR 11 2HB TYR 11 -5.686 5.906 -4.423
60 HD1 TYR 11 HD2 TYR 11 -9.353 5.665 -4.241
61 HD2 TYR 11 HD1 TYR 11 -6.044 7.958 -5.619
62 HE1 TYR 11 HE2 TYR 11 -10.858 7.560 -4.685
63 HE2 TYR 11 HE1 TYR 11 -7.540 9.859 -6.065
64 HH TYR 11 HH TYR 11 -10.925 9.570 -6.084
65 H SER 12 H SER 12 -4.595 3.633 -7.082
66 HA SER 12 HA SER 12 -3.867 1.667 -5.016
67 HB2 SER 12 1HB SER 12 -3.203 0.120 -6.888
68 HB3 SER 12 2HB SER 12 -4.939 0.401 -6.758
69 HG SER 12 HG SER 12 -3.154 1.162 -8.739
70 H CYS 13 H CYS 13 -1.646 1.130 -4.889
71 HA CYS 13 HA CYS 13 0.091 3.318 -5.633
72 HB2 CYS 13 1HB CYS 13 0.426 2.481 -3.436
73 HB3 CYS 13 2HB CYS 13 0.483 0.814 -3.999
74 H ASN 14 H ASN 14 2.094 3.053 -6.765
75 HA ASN 14 HA ASN 14 1.989 0.881 -8.751
76 HB2 ASN 14 1HB ASN 14 1.833 3.461 -9.356
77 HB3 ASN 14 2HB ASN 14 3.586 3.356 -9.235
78 HD21 ASN 14 1HD2 ASN 14 4.667 2.694 -10.954
79 HD22 ASN 14 2HD2 ASN 14 3.984 1.917 -12.337
80 H GLU 15 H GLU 15 4.186 2.854 -6.787
81 HA GLU 15 HA GLU 15 6.620 1.805 -7.412
82 HB2 GLU 15 1HB GLU 15 5.692 2.344 -4.587
83 HB3 GLU 15 2HB GLU 15 7.351 2.357 -5.169
84 HG2 GLU 15 1HG GLU 15 5.470 4.181 -6.525
85 HG3 GLU 15 2HG GLU 15 5.881 4.565 -4.854
86 H CYS 16 H CYS 16 4.954 0.632 -4.499
87 HA CYS 16 HA CYS 16 6.135 -2.010 -4.974
88 HB2 CYS 16 1HB CYS 16 5.820 -2.444 -2.638
89 HB3 CYS 16 2HB CYS 16 6.527 -0.838 -2.786
90 H GLY 17 H GLY 17 3.190 -0.342 -5.184
91 HA2 GLY 17 1HA GLY 17 1.228 -1.214 -6.135
92 HA3 GLY 17 2HA GLY 17 1.802 -2.836 -5.778
93 H LYS 18 H LYS 18 -0.638 -0.907 -5.121
94 HA LYS 18 HA LYS 18 -1.480 -2.307 -2.832
95 HB2 LYS 18 1HB LYS 18 0.282 -0.789 -1.828
96 HB3 LYS 18 2HB LYS 18 -0.758 0.566 -2.249
97 HG2 LYS 18 1HG LYS 18 -2.269 0.095 -0.621
98 HG3 LYS 18 2HG LYS 18 -1.961 -1.642 -0.681
99 HD2 LYS 18 1HD LYS 18 0.338 -1.062 0.310
100 HD3 LYS 18 2HD LYS 18 -0.378 0.504 0.697
101 HE2 LYS 18 1HE LYS 18 -0.777 -0.678 2.634
102 HE3 LYS 18 2HE LYS 18 -2.278 -0.938 1.746
103 HZ1 LYS 18 3HZ LYS 18 0.010 -2.830 1.835
104 HZ2 LYS 18 1HZ LYS 18 -1.453 -3.080 1.023
105 HZ3 LYS 18 2HZ LYS 18 -1.428 -2.990 2.712
106 H ALA 19 H ALA 19 -3.448 -1.096 -1.793
107 HA ALA 19 HA ALA 19 -4.893 0.378 -3.892
108 HB1 ALA 19 3HB ALA 19 -6.950 -0.924 -2.944
109 HB2 ALA 19 1HB ALA 19 -5.901 -1.672 -4.149
110 HB3 ALA 19 2HB ALA 19 -5.728 -2.093 -2.444
111 H PHE 20 H PHE 20 -6.636 1.714 -3.125
112 HA PHE 20 HA PHE 20 -6.938 2.154 -0.293
113 HB2 PHE 20 1HB PHE 20 -5.645 4.262 -2.035
114 HB3 PHE 20 2HB PHE 20 -6.270 4.557 -0.416
115 HD1 PHE 20 HD2 PHE 20 -5.157 3.604 1.539
116 HD2 PHE 20 HD1 PHE 20 -3.584 3.099 -2.384
117 HE1 PHE 20 HE2 PHE 20 -2.996 2.921 2.496
118 HE2 PHE 20 HE1 PHE 20 -1.421 2.414 -1.433
119 HZ PHE 20 HZ PHE 20 -1.125 2.325 1.011
120 H THR 21 H THR 21 -8.857 3.108 0.198
121 HA THR 21 HA THR 21 -10.779 3.362 -1.915
122 HB THR 21 HB THR 21 -11.145 4.090 0.995
123 HG1 THR 21 HG1 THR 21 -10.747 1.998 1.204
124 HG21 THR 21 3HG2 THR 21 -13.058 4.872 0.026
125 HG22 THR 21 1HG2 THR 21 -13.525 3.183 0.218
126 HG23 THR 21 2HG2 THR 21 -12.948 3.766 -1.343
127 H PHE 22 H PHE 22 -8.961 5.565 0.124
128 HA PHE 22 HA PHE 22 -10.171 7.826 -1.329
129 HB2 PHE 22 1HB PHE 22 -9.284 7.544 1.519
130 HB3 PHE 22 2HB PHE 22 -9.245 9.128 0.752
131 HD1 PHE 22 HD2 PHE 22 -11.425 6.356 1.798
132 HD2 PHE 22 HD1 PHE 22 -11.239 10.344 0.323
133 HE1 PHE 22 HE2 PHE 22 -13.821 6.642 2.280
134 HE2 PHE 22 HE1 PHE 22 -13.634 10.637 0.803
135 HZ PHE 22 HZ PHE 22 -14.929 8.784 1.782
136 H LYS 23 H LYS 23 -8.825 9.453 -2.099
137 HA LYS 23 HA LYS 23 -6.350 8.713 -3.110
138 HB2 LYS 23 1HB LYS 23 -7.683 10.577 -3.997
139 HB3 LYS 23 2HB LYS 23 -7.361 11.506 -2.539
140 HG2 LYS 23 1HG LYS 23 -5.213 11.975 -3.140
141 HG3 LYS 23 2HG LYS 23 -5.041 10.502 -4.097
142 HD2 LYS 23 1HD LYS 23 -6.892 11.689 -5.576
143 HD3 LYS 23 2HD LYS 23 -6.198 13.138 -4.846
144 HE2 LYS 23 1HE LYS 23 -4.926 12.900 -6.761
145 HE3 LYS 23 2HE LYS 23 -3.929 12.094 -5.552
146 HZ1 LYS 23 3HZ LYS 23 -4.960 9.972 -6.289
147 HZ2 LYS 23 1HZ LYS 23 -4.012 10.723 -7.473
148 HZ3 LYS 23 2HZ LYS 23 -5.699 10.813 -7.558
149 H SER 24 H SER 24 -6.947 10.988 -0.424
150 HA SER 24 HA SER 24 -4.415 11.529 0.381
151 HB2 SER 24 1HB SER 24 -5.312 11.717 2.707
152 HB3 SER 24 2HB SER 24 -6.319 12.519 1.501
153 HG SER 24 HG SER 24 -7.871 11.120 1.853
154 H GLN 25 H GLN 25 -6.311 8.718 1.477
155 HA GLN 25 HA GLN 25 -4.453 7.523 3.117
156 HB2 GLN 25 1HB GLN 25 -6.490 6.271 1.276
157 HB3 GLN 25 2HB GLN 25 -5.554 5.346 2.443
158 HG2 GLN 25 1HG GLN 25 -6.497 7.143 4.118
159 HG3 GLN 25 2HG GLN 25 -7.749 7.295 2.886
160 HE21 GLN 25 1HE2 GLN 25 -8.908 5.360 2.284
161 HE22 GLN 25 2HE2 GLN 25 -9.138 4.107 3.451
162 H LEU 26 H LEU 26 -4.619 7.495 -0.390
163 HA LEU 26 HA LEU 26 -2.555 5.530 -0.713
164 HB2 LEU 26 1HB LEU 26 -4.060 5.638 -2.490
165 HB3 LEU 26 2HB LEU 26 -4.002 7.398 -2.553
166 HG LEU 26 HG LEU 26 -1.660 7.202 -3.423
167 HD11 LEU 26 1HD1 LEU 26 -1.763 4.621 -4.512
168 HD12 LEU 26 2HD1 LEU 26 -2.126 4.445 -2.796
169 HD13 LEU 26 3HD1 LEU 26 -0.637 5.240 -3.304
170 HD21 LEU 26 3HD2 LEU 26 -4.067 7.066 -4.733
171 HD22 LEU 26 1HD2 LEU 26 -3.174 5.707 -5.417
172 HD23 LEU 26 2HD2 LEU 26 -2.496 7.334 -5.491
173 H ILE 27 H ILE 27 -2.720 9.054 -1.204
174 HA ILE 27 HA ILE 27 -0.139 9.556 -1.989
175 HB ILE 27 HB ILE 27 -1.472 11.356 0.008
176 HG12 ILE 27 1HG1 ILE 27 -3.313 10.878 -1.371
177 HG13 ILE 27 2HG1 ILE 27 -2.632 12.341 -2.074
178 HG21 ILE 27 1HG2 ILE 27 -0.437 13.109 -1.246
179 HG22 ILE 27 2HG2 ILE 27 0.784 11.881 -0.919
180 HG23 ILE 27 3HG2 ILE 27 0.046 11.986 -2.517
181 HD11 ILE 27 3HD1 ILE 27 -2.736 11.244 -4.004
182 HD12 ILE 27 1HD1 ILE 27 -1.319 10.363 -3.433
183 HD13 ILE 27 2HD1 ILE 27 -2.931 9.682 -3.209
184 H VAL 28 H VAL 28 -1.351 9.104 1.304
185 HA VAL 28 HA VAL 28 1.030 9.734 2.661
186 HB VAL 28 HB VAL 28 -1.092 7.779 3.554
187 HG11 VAL 28 1HG1 VAL 28 1.127 9.232 4.940
188 HG12 VAL 28 2HG1 VAL 28 -0.325 8.759 5.825
189 HG13 VAL 28 3HG1 VAL 28 0.670 7.532 5.041
190 HG21 VAL 28 3HG2 VAL 28 -1.156 10.672 3.207
191 HG22 VAL 28 1HG2 VAL 28 -2.476 9.532 3.469
192 HG23 VAL 28 2HG2 VAL 28 -1.569 10.161 4.844
193 H HIS 29 H HIS 29 -0.239 6.652 1.453
194 HA HIS 29 HA HIS 29 1.928 5.090 2.445
195 HB2 HIS 29 1HB HIS 29 0.005 3.833 2.069
196 HB3 HIS 29 2HB HIS 29 -0.322 4.610 0.523
197 HD1 HIS 29 HD1 HIS 29 1.264 1.669 2.016
198 HD2 HIS 29 HD2 HIS 29 1.396 3.678 -1.618
199 HE1 HIS 29 HE1 HIS 29 2.335 0.066 0.401
200 H LYS 30 H LYS 30 1.409 6.992 -0.397
201 HA LYS 30 HA LYS 30 3.369 5.765 -2.052
202 HB2 LYS 30 1HB LYS 30 2.081 8.494 -2.101
203 HB3 LYS 30 2HB LYS 30 3.237 7.961 -3.315
204 HG2 LYS 30 1HG LYS 30 1.618 5.937 -3.570
205 HG3 LYS 30 2HG LYS 30 0.452 7.023 -2.810
206 HD2 LYS 30 1HD LYS 30 2.087 7.892 -5.172
207 HD3 LYS 30 2HD LYS 30 0.586 6.986 -5.378
208 HE2 LYS 30 1HE LYS 30 -0.684 8.692 -4.319
209 HE3 LYS 30 2HE LYS 30 0.770 9.519 -3.762
210 HZ1 LYS 30 3HZ LYS 30 -0.236 9.308 -6.542
211 HZ2 LYS 30 1HZ LYS 30 1.318 9.860 -6.165
212 HZ3 LYS 30 2HZ LYS 30 -0.037 10.710 -5.616
213 H GLY 31 H GLY 31 3.457 8.257 0.404
214 HA2 GLY 31 1HA GLY 31 5.894 9.471 -0.160
215 HA3 GLY 31 2HA GLY 31 5.219 9.289 1.453
216 H VAL 32 H VAL 32 5.245 6.409 1.454
217 HA VAL 32 HA VAL 32 7.671 5.871 2.629
218 HB VAL 32 HB VAL 32 7.163 3.551 2.499
219 HG11 VAL 32 1HG1 VAL 32 4.374 4.525 2.431
220 HG12 VAL 32 2HG1 VAL 32 5.221 3.584 3.661
221 HG13 VAL 32 3HG1 VAL 32 5.461 5.329 3.563
222 HG21 VAL 32 3HG2 VAL 32 5.703 4.335 0.029
223 HG22 VAL 32 1HG2 VAL 32 6.764 2.959 0.328
224 HG23 VAL 32 2HG2 VAL 32 5.112 2.948 0.945
225 H HIS 33 H HIS 33 6.892 5.980 -0.749
226 HA HIS 33 HA HIS 33 9.459 4.772 -1.475
227 HB2 HIS 33 1HB HIS 33 7.357 5.726 -3.409
228 HB3 HIS 33 2HB HIS 33 8.617 4.523 -3.667
229 HD1 HIS 33 HD1 HIS 33 8.269 2.329 -1.942
230 HD2 HIS 33 HD2 HIS 33 4.948 4.595 -2.989
231 HE1 HIS 33 HE1 HIS 33 6.281 0.856 -1.493
232 H THR 34 H THR 34 7.570 7.723 -2.092
233 HA THR 34 HA THR 34 9.146 9.209 -3.666
234 HB THR 34 HB THR 34 8.426 11.227 -2.510
235 HG1 THR 34 HG1 THR 34 7.244 10.939 -0.496
236 HG21 THR 34 3HG2 THR 34 6.800 9.784 -3.842
237 HG22 THR 34 1HG2 THR 34 6.092 10.953 -2.728
238 HG23 THR 34 2HG2 THR 34 6.170 9.247 -2.285
239 H GLY 35 H GLY 35 9.857 8.364 -0.334
240 HA2 GLY 35 1HA GLY 35 12.376 9.886 -0.505
241 HA3 GLY 35 2HA GLY 35 11.606 9.372 0.989
242 H VAL 36 H VAL 36 13.978 8.696 1.238
243 HA VAL 36 HA VAL 36 15.163 6.617 -0.129
244 HB VAL 36 HB VAL 36 15.292 7.091 2.853
245 HG11 VAL 36 1HG1 VAL 36 16.141 4.874 1.947
246 HG12 VAL 36 2HG1 VAL 36 17.389 5.810 1.122
247 HG13 VAL 36 3HG1 VAL 36 17.283 5.837 2.883
248 HG21 VAL 36 3HG2 VAL 36 17.041 8.162 0.639
249 HG22 VAL 36 1HG2 VAL 36 15.849 9.090 1.550
250 HG23 VAL 36 2HG2 VAL 36 17.268 8.434 2.367
251 H LYS 37 H LYS 37 15.071 4.414 -0.083
252 HA LYS 37 HA LYS 37 13.069 3.166 1.671
253 HB2 LYS 37 1HB LYS 37 12.126 1.907 -0.090
254 HB3 LYS 37 2HB LYS 37 12.235 3.552 -0.703
255 HG2 LYS 37 1HG LYS 37 14.149 3.010 -2.022
256 HG3 LYS 37 2HG LYS 37 14.274 1.414 -1.276
257 HD2 LYS 37 1HD LYS 37 13.208 0.866 -3.229
258 HD3 LYS 37 2HD LYS 37 11.813 1.170 -2.191
259 HE2 LYS 37 1HE LYS 37 11.421 2.288 -4.256
260 HE3 LYS 37 2HE LYS 37 11.797 3.521 -3.053
261 HZ1 LYS 37 3HZ LYS 37 14.213 2.822 -4.160
262 HZ2 LYS 37 1HZ LYS 37 13.339 4.241 -4.453
263 HZ3 LYS 37 2HZ LYS 37 13.151 2.906 -5.474
264 HA PRO 38 HA PRO 38 16.277 0.291 2.575
265 HB2 PRO 38 1HB PRO 38 14.764 -1.786 3.452
266 HB3 PRO 38 2HB PRO 38 15.016 -0.314 4.398
267 HG2 PRO 38 1HG PRO 38 12.683 -1.092 2.691
268 HG3 PRO 38 2HG PRO 38 12.693 -0.338 4.296
269 HD2 PRO 38 1HD PRO 38 12.293 1.078 2.022
270 HD3 PRO 38 2HD PRO 38 13.107 1.764 3.443
271 H SER 39 H SER 39 17.347 -1.416 1.652
272 HA SER 39 HA SER 39 16.647 -2.170 -0.976
273 HB2 SER 39 1HB SER 39 18.568 -3.724 -0.816
274 HB3 SER 39 2HB SER 39 18.976 -2.109 -0.239
275 HG SER 39 HG SER 39 19.383 -4.277 1.054
276 H GLY 40 H GLY 40 15.084 -3.519 -1.552
277 HA2 GLY 40 1HA GLY 40 14.622 -5.909 0.121
278 HA3 GLY 40 2HA GLY 40 13.288 -4.970 -0.532
279 HA PRO 41 HA PRO 41 15.097 -8.255 -3.564
280 HB2 PRO 41 1HB PRO 41 13.710 -10.476 -2.850
281 HB3 PRO 41 2HB PRO 41 15.305 -10.088 -2.195
282 HG2 PRO 41 1HG PRO 41 12.602 -9.653 -0.983
283 HG3 PRO 41 2HG PRO 41 14.086 -10.256 -0.222
284 HD2 PRO 41 1HD PRO 41 13.246 -7.696 0.049
285 HD3 PRO 41 2HD PRO 41 14.965 -8.140 0.033
286 H SER 42 H SER 42 13.831 -6.851 -4.920
287 HA SER 42 HA SER 42 10.999 -7.060 -5.084
288 HB2 SER 42 1HB SER 42 11.247 -5.761 -7.174
289 HB3 SER 42 2HB SER 42 12.165 -5.051 -5.847
290 HG SER 42 HG SER 42 13.173 -6.660 -7.956
291 H SER 43 H SER 43 13.656 -8.390 -7.027
292 HA SER 43 HA SER 43 12.232 -10.766 -7.631
293 HB2 SER 43 1HB SER 43 11.238 -8.860 -9.167
294 HB3 SER 43 2HB SER 43 12.694 -9.162 -10.115
295 HG SER 43 HG SER 43 12.029 -11.197 -10.516
296 H GLY 44 H GLY 44 13.471 -12.240 -8.977
297 HA2 GLY 44 1HA GLY 44 16.324 -11.793 -8.626
298 HA3 GLY 44 2HA GLY 44 15.553 -13.302 -9.093