Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505141 | 2eor RC | 10221 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -4.176 -5.378 -21.546
2 HA2 GLY 1 1HA GLY 1 -2.411 -6.080 -19.540
3 HA3 GLY 1 2HA GLY 1 -2.689 -4.356 -19.339
4 H SER 2 H SER 2 -3.999 -7.528 -18.986
5 HA SER 2 HA SER 2 -6.654 -7.317 -18.722
6 HB2 SER 2 1HB SER 2 -4.742 -8.633 -16.786
7 HB3 SER 2 2HB SER 2 -6.491 -8.853 -16.716
8 HG SER 2 HG SER 2 -6.195 -9.462 -19.055
9 H SER 3 H SER 3 -4.338 -6.170 -16.288
10 HA SER 3 HA SER 3 -4.538 -4.711 -14.554
11 HB2 SER 3 1HB SER 3 -6.615 -3.683 -16.470
12 HB3 SER 3 2HB SER 3 -6.385 -2.918 -14.898
13 HG SER 3 HG SER 3 -4.140 -3.402 -16.497
14 H GLY 4 H GLY 4 -5.717 -7.191 -14.141
15 HA2 GLY 4 1HA GLY 4 -6.950 -8.127 -12.416
16 HA3 GLY 4 2HA GLY 4 -7.567 -6.527 -12.031
17 H SER 5 H SER 5 -7.793 -8.905 -14.681
18 HA SER 5 HA SER 5 -10.556 -8.094 -15.143
19 HB2 SER 5 1HB SER 5 -10.429 -9.436 -17.166
20 HB3 SER 5 2HB SER 5 -9.006 -8.399 -17.068
21 HG SER 5 HG SER 5 -9.216 -11.158 -16.887
22 H SER 6 H SER 6 -8.719 -11.046 -14.406
23 HA SER 6 HA SER 6 -10.910 -12.066 -12.833
24 HB2 SER 6 1HB SER 6 -11.643 -12.799 -15.030
25 HB3 SER 6 2HB SER 6 -10.056 -13.491 -15.364
26 HG SER 6 HG SER 6 -12.048 -14.754 -14.350
27 H GLY 7 H GLY 7 -10.157 -13.255 -11.186
28 HA2 GLY 7 1HA GLY 7 -8.471 -15.197 -10.825
29 HA3 GLY 7 2HA GLY 7 -7.301 -13.948 -11.227
30 H THR 8 H THR 8 -6.306 -14.105 -9.200
31 HA THR 8 HA THR 8 -7.908 -13.045 -6.963
32 HB THR 8 HB THR 8 -6.178 -14.157 -5.478
33 HG1 THR 8 HG1 THR 8 -4.918 -15.762 -6.414
34 HG21 THR 8 3HG2 THR 8 -7.156 -16.534 -6.085
35 HG22 THR 8 1HG2 THR 8 -8.205 -15.581 -7.134
36 HG23 THR 8 2HG2 THR 8 -8.181 -15.274 -5.398
37 H GLY 9 H GLY 9 -7.442 -10.879 -7.307
38 HA2 GLY 9 1HA GLY 9 -4.748 -10.085 -6.504
39 HA3 GLY 9 2HA GLY 9 -5.314 -9.506 -8.063
40 H GLU 10 H GLU 10 -6.154 -9.562 -4.616
41 HA GLU 10 HA GLU 10 -6.894 -6.768 -4.751
42 HB2 GLU 10 1HB GLU 10 -8.934 -8.336 -5.315
43 HB3 GLU 10 2HB GLU 10 -8.968 -8.573 -3.574
44 HG2 GLU 10 1HG GLU 10 -8.875 -5.801 -4.651
45 HG3 GLU 10 2HG GLU 10 -10.392 -6.697 -4.708
46 H LYS 11 H LYS 11 -7.050 -5.773 -2.693
47 HA LYS 11 HA LYS 11 -6.501 -7.378 -0.334
48 HB2 LYS 11 1HB LYS 11 -4.645 -5.091 -0.928
49 HB3 LYS 11 2HB LYS 11 -4.447 -6.394 0.236
50 HG2 LYS 11 1HG LYS 11 -4.317 -7.949 -1.778
51 HG3 LYS 11 2HG LYS 11 -4.117 -6.485 -2.743
52 HD2 LYS 11 1HD LYS 11 -1.923 -6.951 -2.329
53 HD3 LYS 11 2HD LYS 11 -2.276 -5.977 -0.899
54 HE2 LYS 11 1HE LYS 11 -2.363 -7.827 0.495
55 HE3 LYS 11 2HE LYS 11 -2.682 -8.940 -0.835
56 HZ1 LYS 11 3HZ LYS 11 -0.525 -9.340 -0.998
57 HZ2 LYS 11 1HZ LYS 11 -0.230 -8.333 0.330
58 HZ3 LYS 11 2HZ LYS 11 -0.188 -7.700 -1.238
59 HA PRO 12 HA PRO 12 -9.066 -4.307 1.502
60 HB2 PRO 12 1HB PRO 12 -8.416 -4.705 4.107
61 HB3 PRO 12 2HB PRO 12 -9.424 -5.827 3.186
62 HG2 PRO 12 1HG PRO 12 -6.506 -5.996 3.832
63 HG3 PRO 12 2HG PRO 12 -7.738 -7.271 3.877
64 HD2 PRO 12 1HD PRO 12 -5.995 -7.001 1.823
65 HD3 PRO 12 2HD PRO 12 -7.646 -7.615 1.600
66 H TYR 13 H TYR 13 -5.770 -4.070 1.260
67 HA TYR 13 HA TYR 13 -5.820 -1.316 2.233
68 HB2 TYR 13 1HB TYR 13 -3.848 -3.419 3.126
69 HB3 TYR 13 2HB TYR 13 -3.532 -1.693 3.271
70 HD1 TYR 13 HD2 TYR 13 -4.860 -0.314 4.818
71 HD2 TYR 13 HD1 TYR 13 -5.391 -4.530 4.594
72 HE1 TYR 13 HE2 TYR 13 -6.055 -0.272 6.968
73 HE2 TYR 13 HE1 TYR 13 -6.588 -4.499 6.743
74 HH TYR 13 HH TYR 13 -7.873 -2.872 8.111
75 H ASN 14 H ASN 14 -4.229 0.038 1.293
76 HA ASN 14 HA ASN 14 -2.370 -0.973 -0.638
77 HB2 ASN 14 1HB ASN 14 -4.744 0.608 -1.652
78 HB3 ASN 14 2HB ASN 14 -3.358 0.094 -2.610
79 HD21 ASN 14 1HD2 ASN 14 -6.158 -1.008 -0.818
80 HD22 ASN 14 2HD2 ASN 14 -6.304 -2.534 -1.616
81 H CYS 15 H CYS 15 -0.861 0.562 -1.273
82 HA CYS 15 HA CYS 15 -0.869 2.998 0.329
83 HB2 CYS 15 1HB CYS 15 1.116 1.369 0.131
84 HB3 CYS 15 2HB CYS 15 1.369 2.076 -1.462
85 H GLU 16 H GLU 16 -1.749 4.757 -0.525
86 HA GLU 16 HA GLU 16 -1.992 5.075 -3.387
87 HB2 GLU 16 1HB GLU 16 -2.839 6.823 -1.073
88 HB3 GLU 16 2HB GLU 16 -3.142 7.217 -2.759
89 HG2 GLU 16 1HG GLU 16 -4.131 4.729 -1.390
90 HG3 GLU 16 2HG GLU 16 -5.076 6.202 -1.600
91 H GLU 17 H GLU 17 0.636 5.253 -1.778
92 HA GLU 17 HA GLU 17 1.495 7.905 -2.716
93 HB2 GLU 17 1HB GLU 17 2.649 6.045 -0.639
94 HB3 GLU 17 2HB GLU 17 3.505 7.460 -1.235
95 HG2 GLU 17 1HG GLU 17 2.312 7.806 0.914
96 HG3 GLU 17 2HG GLU 17 1.850 8.928 -0.364
97 H CYS 18 H CYS 18 2.332 4.472 -2.759
98 HA CYS 18 HA CYS 18 4.145 5.018 -5.019
99 HB2 CYS 18 1HB CYS 18 5.360 2.954 -4.361
100 HB3 CYS 18 2HB CYS 18 5.411 4.203 -3.121
101 H GLY 19 H GLY 19 1.899 2.641 -3.627
102 HA2 GLY 19 1HA GLY 19 0.110 1.896 -5.183
103 HA3 GLY 19 2HA GLY 19 1.383 1.687 -6.377
104 H LYS 20 H LYS 20 1.621 0.808 -2.978
105 HA LYS 20 HA LYS 20 1.956 -1.992 -3.811
106 HB2 LYS 20 1HB LYS 20 3.764 -0.617 -2.507
107 HB3 LYS 20 2HB LYS 20 2.751 -0.961 -1.112
108 HG2 LYS 20 1HG LYS 20 2.948 -3.377 -1.624
109 HG3 LYS 20 2HG LYS 20 4.072 -2.970 -2.923
110 HD2 LYS 20 1HD LYS 20 4.612 -1.910 -0.193
111 HD3 LYS 20 2HD LYS 20 4.930 -3.618 -0.510
112 HE2 LYS 20 1HE LYS 20 6.961 -2.598 -0.998
113 HE3 LYS 20 2HE LYS 20 6.205 -2.768 -2.582
114 HZ1 LYS 20 3HZ LYS 20 7.268 -0.522 -1.877
115 HZ2 LYS 20 1HZ LYS 20 5.804 -0.286 -1.061
116 HZ3 LYS 20 2HZ LYS 20 5.810 -0.530 -2.735
117 H ALA 21 H ALA 21 0.439 -3.419 -3.294
118 HA ALA 21 HA ALA 21 -1.753 -2.631 -1.572
119 HB1 ALA 21 3HB ALA 21 -1.333 -5.201 -3.094
120 HB2 ALA 21 1HB ALA 21 -2.827 -4.676 -2.317
121 HB3 ALA 21 2HB ALA 21 -2.189 -3.782 -3.698
122 H PHE 22 H PHE 22 -2.427 -3.749 0.283
123 HA PHE 22 HA PHE 22 -0.493 -5.628 1.446
124 HB2 PHE 22 1HB PHE 22 -1.669 -3.197 2.805
125 HB3 PHE 22 2HB PHE 22 -0.832 -4.488 3.660
126 HD1 PHE 22 HD2 PHE 22 -0.423 -1.827 1.134
127 HD2 PHE 22 HD1 PHE 22 1.519 -4.580 3.735
128 HE1 PHE 22 HE2 PHE 22 1.726 -0.708 0.707
129 HE2 PHE 22 HE1 PHE 22 3.672 -3.465 3.313
130 HZ PHE 22 HZ PHE 22 3.777 -1.527 1.796
131 H ILE 23 H ILE 23 -1.359 -7.274 2.626
132 HA ILE 23 HA ILE 23 -4.150 -7.802 2.291
133 HB ILE 23 HB ILE 23 -2.258 -9.348 4.054
134 HG12 ILE 23 1HG1 ILE 23 -2.728 -9.771 1.097
135 HG13 ILE 23 2HG1 ILE 23 -1.312 -8.962 1.760
136 HG21 ILE 23 1HG2 ILE 23 -4.665 -10.239 2.473
137 HG22 ILE 23 2HG2 ILE 23 -3.719 -11.208 3.601
138 HG23 ILE 23 3HG2 ILE 23 -4.679 -9.853 4.194
139 HD11 ILE 23 3HD1 ILE 23 -0.453 -10.908 2.643
140 HD12 ILE 23 1HD1 ILE 23 -2.022 -11.712 2.672
141 HD13 ILE 23 2HD1 ILE 23 -1.185 -11.466 1.139
142 H HIS 24 H HIS 24 -2.112 -6.697 4.920
143 HA HIS 24 HA HIS 24 -4.534 -6.275 6.535
144 HB2 HIS 24 1HB HIS 24 -1.873 -7.371 7.445
145 HB3 HIS 24 2HB HIS 24 -3.057 -6.700 8.563
146 HD2 HIS 24 HD2 HIS 24 -2.604 -9.841 6.271
147 HE1 HIS 24 HE1 HIS 24 -5.906 -10.494 8.855
148 HE2 HIS 24 HE2 HIS 24 -4.325 -11.537 7.194
149 H ASP 25 H ASP 25 -4.007 -4.704 8.407
150 HA ASP 25 HA ASP 25 -3.076 -2.278 7.225
151 HB2 ASP 25 1HB ASP 25 -4.937 -2.451 8.914
152 HB3 ASP 25 2HB ASP 25 -3.711 -2.770 10.138
153 H SER 26 H SER 26 -2.023 -3.856 10.247
154 HA SER 26 HA SER 26 0.204 -2.535 10.872
155 HB2 SER 26 1HB SER 26 1.162 -4.586 11.776
156 HB3 SER 26 2HB SER 26 -0.582 -4.581 12.040
157 HG SER 26 HG SER 26 -0.755 -6.276 10.809
158 H GLN 27 H GLN 27 -0.022 -4.861 8.223
159 HA GLN 27 HA GLN 27 2.696 -4.875 7.509
160 HB2 GLN 27 1HB GLN 27 0.259 -5.325 5.778
161 HB3 GLN 27 2HB GLN 27 1.910 -5.727 5.324
162 HG2 GLN 27 1HG GLN 27 1.891 -7.148 7.490
163 HG3 GLN 27 2HG GLN 27 0.139 -7.018 7.350
164 HE21 GLN 27 1HE2 GLN 27 -0.917 -8.208 5.853
165 HE22 GLN 27 2HE2 GLN 27 -0.150 -9.338 4.795
166 H LEU 28 H LEU 28 -0.015 -3.067 6.057
167 HA LEU 28 HA LEU 28 1.529 -1.559 4.276
168 HB2 LEU 28 1HB LEU 28 -0.778 -1.608 3.888
169 HB3 LEU 28 2HB LEU 28 -1.154 -1.135 5.544
170 HG LEU 28 HG LEU 28 -0.156 1.125 4.981
171 HD11 LEU 28 1HD1 LEU 28 0.992 0.183 2.905
172 HD12 LEU 28 2HD1 LEU 28 0.196 1.750 2.755
173 HD13 LEU 28 3HD1 LEU 28 -0.588 0.300 2.129
174 HD21 LEU 28 3HD2 LEU 28 -2.462 1.115 5.174
175 HD22 LEU 28 1HD2 LEU 28 -2.677 0.032 3.799
176 HD23 LEU 28 2HD2 LEU 28 -2.223 1.716 3.532
177 H GLN 29 H GLN 29 0.307 -0.699 7.509
178 HA GLN 29 HA GLN 29 1.332 1.857 7.701
179 HB2 GLN 29 1HB GLN 29 0.938 -0.260 9.811
180 HB3 GLN 29 2HB GLN 29 1.436 1.381 10.198
181 HG2 GLN 29 1HG GLN 29 -1.150 0.469 8.980
182 HG3 GLN 29 2HG GLN 29 -0.896 1.283 10.522
183 HE21 GLN 29 1HE2 GLN 29 -1.206 1.647 7.107
184 HE22 GLN 29 2HE2 GLN 29 -1.249 3.374 7.078
185 H GLU 30 H GLU 30 2.923 -1.209 8.531
186 HA GLU 30 HA GLU 30 5.328 -0.110 9.469
187 HB2 GLU 30 1HB GLU 30 4.759 -2.426 9.893
188 HB3 GLU 30 2HB GLU 30 4.778 -2.783 8.172
189 HG2 GLU 30 1HG GLU 30 7.089 -2.673 8.042
190 HG3 GLU 30 2HG GLU 30 7.226 -1.740 9.532
191 H HIS 31 H HIS 31 4.030 -0.039 6.388
192 HA HIS 31 HA HIS 31 6.666 0.160 5.104
193 HB2 HIS 31 1HB HIS 31 5.455 -1.313 3.794
194 HB3 HIS 31 2HB HIS 31 3.926 -0.495 4.103
195 HD1 HIS 31 HD1 HIS 31 7.082 -0.096 2.057
196 HD2 HIS 31 HD2 HIS 31 3.177 1.315 2.190
197 HE1 HIS 31 HE1 HIS 31 6.775 1.234 -0.055
198 H GLN 32 H GLN 32 3.538 1.830 5.327
199 HA GLN 32 HA GLN 32 4.071 4.069 3.822
200 HB2 GLN 32 1HB GLN 32 2.408 3.665 6.291
201 HB3 GLN 32 2HB GLN 32 2.530 5.249 5.538
202 HG2 GLN 32 1HG GLN 32 1.814 4.079 3.383
203 HG3 GLN 32 2HG GLN 32 1.350 2.733 4.423
204 HE21 GLN 32 1HE2 GLN 32 -0.743 3.349 3.330
205 HE22 GLN 32 2HE2 GLN 32 -1.740 4.494 4.154
206 H ARG 33 H ARG 33 5.457 3.149 6.828
207 HA ARG 33 HA ARG 33 6.202 5.648 7.858
208 HB2 ARG 33 1HB ARG 33 8.083 4.301 8.951
209 HB3 ARG 33 2HB ARG 33 6.432 3.815 9.312
210 HG2 ARG 33 1HG ARG 33 6.579 1.967 7.794
211 HG3 ARG 33 2HG ARG 33 8.162 2.505 7.228
212 HD2 ARG 33 1HD ARG 33 7.490 1.586 10.021
213 HD3 ARG 33 2HD ARG 33 8.369 0.657 8.808
214 HE ARG 33 HE ARG 33 10.246 1.942 9.208
215 HH11 ARG 33 1HH1 ARG 33 7.493 3.270 10.873
216 HH12 ARG 33 2HH1 ARG 33 8.435 4.361 11.834
217 HH21 ARG 33 1HH2 ARG 33 11.499 3.373 10.467
218 HH22 ARG 33 2HH2 ARG 33 10.714 4.419 11.602
219 H ILE 34 H ILE 34 7.638 3.621 5.385
220 HA ILE 34 HA ILE 34 10.151 4.844 5.204
221 HB ILE 34 HB ILE 34 10.433 3.770 3.146
222 HG12 ILE 34 1HG1 ILE 34 7.422 3.679 2.852
223 HG13 ILE 34 2HG1 ILE 34 8.490 4.802 2.018
224 HG21 ILE 34 1HG2 ILE 34 9.138 2.399 5.260
225 HG22 ILE 34 2HG2 ILE 34 8.542 1.733 3.740
226 HG23 ILE 34 3HG2 ILE 34 10.274 1.761 4.072
227 HD11 ILE 34 3HD1 ILE 34 8.632 1.813 1.735
228 HD12 ILE 34 1HD1 ILE 34 7.752 2.880 0.641
229 HD13 ILE 34 2HD1 ILE 34 9.504 3.021 0.792
230 H HIS 35 H HIS 35 7.022 5.798 3.983
231 HA HIS 35 HA HIS 35 8.060 7.831 2.229
232 HB2 HIS 35 1HB HIS 35 5.260 7.250 3.212
233 HB3 HIS 35 2HB HIS 35 5.653 8.505 2.041
234 HD1 HIS 35 HD1 HIS 35 7.225 7.331 -0.057
235 HD2 HIS 35 HD2 HIS 35 4.391 5.044 1.943
236 HE1 HIS 35 HE1 HIS 35 6.699 5.415 -1.598
237 H THR 36 H THR 36 6.358 7.806 5.351
238 HA THR 36 HA THR 36 6.154 10.502 5.831
239 HB THR 36 HB THR 36 6.003 10.030 8.154
240 HG1 THR 36 HG1 THR 36 6.723 7.748 8.771
241 HG21 THR 36 3HG2 THR 36 5.158 7.449 6.851
242 HG22 THR 36 1HG2 THR 36 4.290 8.965 6.615
243 HG23 THR 36 2HG2 THR 36 4.421 8.266 8.229
244 H GLY 37 H GLY 37 8.980 8.425 6.259
245 HA2 GLY 37 1HA GLY 37 10.569 10.535 7.419
246 HA3 GLY 37 2HA GLY 37 11.132 8.936 6.954
247 H GLU 38 H GLU 38 12.979 9.666 5.926
248 HA GLU 38 HA GLU 38 12.624 11.472 3.644
249 HB2 GLU 38 1HB GLU 38 14.393 12.021 5.276
250 HB3 GLU 38 2HB GLU 38 15.166 10.478 4.944
251 HG2 GLU 38 1HG GLU 38 15.129 11.371 2.470
252 HG3 GLU 38 2HG GLU 38 15.039 12.934 3.282
253 H LYS 39 H LYS 39 11.861 10.232 1.999
254 HA LYS 39 HA LYS 39 12.348 7.621 1.378
255 HB2 LYS 39 1HB LYS 39 11.593 8.072 -0.802
256 HB3 LYS 39 2HB LYS 39 10.823 9.300 0.194
257 HG2 LYS 39 1HG LYS 39 13.398 9.837 -1.243
258 HG3 LYS 39 2HG LYS 39 11.832 10.024 -2.036
259 HD2 LYS 39 1HD LYS 39 12.463 11.351 0.587
260 HD3 LYS 39 2HD LYS 39 12.857 12.102 -0.961
261 HE2 LYS 39 1HE LYS 39 10.421 11.759 -1.580
262 HE3 LYS 39 2HE LYS 39 10.146 11.367 0.116
263 HZ1 LYS 39 3HZ LYS 39 10.773 13.937 -1.119
264 HZ2 LYS 39 1HZ LYS 39 11.421 13.642 0.416
265 HZ3 LYS 39 2HZ LYS 39 9.747 13.582 0.179
266 HA PRO 40 HA PRO 40 16.611 7.254 0.347
267 HB2 PRO 40 1HB PRO 40 16.492 5.032 -1.207
268 HB3 PRO 40 2HB PRO 40 16.311 4.985 0.551
269 HG2 PRO 40 1HG PRO 40 14.201 4.942 -1.572
270 HG3 PRO 40 2HG PRO 40 14.316 3.977 -0.088
271 HD2 PRO 40 1HD PRO 40 12.716 6.152 -0.291
272 HD3 PRO 40 2HD PRO 40 13.496 5.679 1.232
273 H SER 41 H SER 41 17.713 6.285 -1.947
274 HA SER 41 HA SER 41 16.944 8.330 -3.916
275 HB2 SER 41 1HB SER 41 19.273 8.031 -4.792
276 HB3 SER 41 2HB SER 41 19.210 8.622 -3.132
277 HG SER 41 HG SER 41 19.318 5.864 -3.499
278 H GLY 42 H GLY 42 15.350 7.162 -4.998
279 HA2 GLY 42 1HA GLY 42 16.043 5.725 -7.228
280 HA3 GLY 42 2HA GLY 42 15.811 4.509 -5.980
281 HA PRO 43 HA PRO 43 11.440 4.629 -6.346
282 HB2 PRO 43 1HB PRO 43 10.459 5.176 -3.874
283 HB3 PRO 43 2HB PRO 43 11.220 3.635 -4.286
284 HG2 PRO 43 1HG PRO 43 12.383 6.003 -2.873
285 HG3 PRO 43 2HG PRO 43 12.554 4.280 -2.494
286 HD2 PRO 43 1HD PRO 43 14.470 5.683 -3.795
287 HD3 PRO 43 2HD PRO 43 14.176 3.959 -4.101
288 H SER 44 H SER 44 13.066 7.446 -5.837
289 HA SER 44 HA SER 44 10.874 9.234 -5.373
290 HB2 SER 44 1HB SER 44 13.686 9.766 -6.362
291 HB3 SER 44 2HB SER 44 12.528 11.011 -5.896
292 HG SER 44 HG SER 44 13.580 8.972 -4.223
293 H SER 45 H SER 45 9.902 7.778 -7.321
294 HA SER 45 HA SER 45 10.208 9.412 -9.755
295 HB2 SER 45 1HB SER 45 9.979 6.468 -9.379
296 HB3 SER 45 2HB SER 45 9.167 7.170 -10.778
297 HG SER 45 HG SER 45 11.155 6.818 -11.529
298 H GLY 46 H GLY 46 7.891 7.271 -8.084
299 HA2 GLY 46 1HA GLY 46 5.834 9.155 -7.916
300 HA3 GLY 46 2HA GLY 46 5.607 8.264 -9.413
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -0.473 -7.369 -27.074
2 HA2 GLY 1 1HA GLY 1 -1.917 -9.227 -28.828
3 HA3 GLY 1 2HA GLY 1 -1.262 -9.841 -27.317
4 H SER 2 H SER 2 -2.846 -10.108 -25.901
5 HA SER 2 HA SER 2 -4.726 -7.896 -25.475
6 HB2 SER 2 1HB SER 2 -6.624 -9.377 -25.369
7 HB3 SER 2 2HB SER 2 -5.799 -9.666 -26.900
8 HG SER 2 HG SER 2 -4.938 -11.535 -26.074
9 H SER 3 H SER 3 -5.396 -7.607 -23.370
10 HA SER 3 HA SER 3 -3.673 -8.572 -21.340
11 HB2 SER 3 1HB SER 3 -4.800 -6.362 -21.253
12 HB3 SER 3 2HB SER 3 -6.346 -7.182 -21.031
13 HG SER 3 HG SER 3 -4.388 -6.653 -19.218
14 H GLY 4 H GLY 4 -3.980 -10.075 -19.736
15 HA2 GLY 4 1HA GLY 4 -6.159 -11.988 -20.228
16 HA3 GLY 4 2HA GLY 4 -4.654 -12.344 -19.393
17 H SER 5 H SER 5 -4.522 -10.334 -17.539
18 HA SER 5 HA SER 5 -6.821 -10.986 -15.828
19 HB2 SER 5 1HB SER 5 -5.334 -10.422 -13.934
20 HB3 SER 5 2HB SER 5 -4.657 -11.701 -14.941
21 HG SER 5 HG SER 5 -3.197 -10.295 -15.765
22 H SER 6 H SER 6 -8.317 -9.445 -15.833
23 HA SER 6 HA SER 6 -7.978 -6.803 -16.641
24 HB2 SER 6 1HB SER 6 -10.159 -6.394 -15.435
25 HB3 SER 6 2HB SER 6 -10.186 -7.737 -16.577
26 HG SER 6 HG SER 6 -10.389 -7.746 -13.815
27 H GLY 7 H GLY 7 -8.381 -7.988 -13.294
28 HA2 GLY 7 1HA GLY 7 -6.999 -5.541 -12.386
29 HA3 GLY 7 2HA GLY 7 -8.198 -6.411 -11.440
30 H THR 8 H THR 8 -5.326 -5.657 -10.947
31 HA THR 8 HA THR 8 -4.289 -8.362 -10.402
32 HB THR 8 HB THR 8 -2.839 -7.100 -11.924
33 HG1 THR 8 HG1 THR 8 -1.463 -7.086 -9.467
34 HG21 THR 8 3HG2 THR 8 -1.833 -5.041 -11.370
35 HG22 THR 8 1HG2 THR 8 -2.343 -5.150 -9.687
36 HG23 THR 8 2HG2 THR 8 -3.534 -4.846 -10.951
37 H GLY 9 H GLY 9 -4.518 -8.922 -8.341
38 HA2 GLY 9 1HA GLY 9 -4.217 -8.817 -6.047
39 HA3 GLY 9 2HA GLY 9 -3.572 -7.194 -6.240
40 H GLU 10 H GLU 10 -5.674 -8.526 -4.446
41 HA GLU 10 HA GLU 10 -7.718 -6.443 -4.832
42 HB2 GLU 10 1HB GLU 10 -8.145 -9.329 -4.052
43 HB3 GLU 10 2HB GLU 10 -9.376 -8.085 -3.889
44 HG2 GLU 10 1HG GLU 10 -8.096 -8.427 -6.541
45 HG3 GLU 10 2HG GLU 10 -9.239 -9.657 -6.004
46 H LYS 11 H LYS 11 -5.263 -7.313 -2.972
47 HA LYS 11 HA LYS 11 -5.827 -7.644 -0.393
48 HB2 LYS 11 1HB LYS 11 -3.904 -5.834 -1.760
49 HB3 LYS 11 2HB LYS 11 -4.122 -5.615 -0.028
50 HG2 LYS 11 1HG LYS 11 -2.270 -7.079 -0.387
51 HG3 LYS 11 2HG LYS 11 -3.602 -8.020 0.288
52 HD2 LYS 11 1HD LYS 11 -3.357 -7.862 -2.672
53 HD3 LYS 11 2HD LYS 11 -2.203 -8.871 -1.796
54 HE2 LYS 11 1HE LYS 11 -4.078 -10.059 -0.737
55 HE3 LYS 11 2HE LYS 11 -5.211 -9.071 -1.657
56 HZ1 LYS 11 3HZ LYS 11 -3.369 -11.158 -2.634
57 HZ2 LYS 11 1HZ LYS 11 -3.954 -9.967 -3.683
58 HZ3 LYS 11 2HZ LYS 11 -5.033 -11.004 -2.895
59 HA PRO 12 HA PRO 12 -8.814 -4.635 0.835
60 HB2 PRO 12 1HB PRO 12 -8.536 -4.902 3.523
61 HB3 PRO 12 2HB PRO 12 -9.362 -6.100 2.518
62 HG2 PRO 12 1HG PRO 12 -6.564 -6.126 3.584
63 HG3 PRO 12 2HG PRO 12 -7.746 -7.446 3.510
64 HD2 PRO 12 1HD PRO 12 -5.733 -7.190 1.717
65 HD3 PRO 12 2HD PRO 12 -7.312 -7.877 1.287
66 H TYR 13 H TYR 13 -5.543 -4.252 1.005
67 HA TYR 13 HA TYR 13 -5.827 -1.486 1.909
68 HB2 TYR 13 1HB TYR 13 -3.885 -3.497 3.037
69 HB3 TYR 13 2HB TYR 13 -3.612 -1.762 3.152
70 HD1 TYR 13 HD2 TYR 13 -5.069 -0.364 4.544
71 HD2 TYR 13 HD1 TYR 13 -5.570 -4.586 4.372
72 HE1 TYR 13 HE2 TYR 13 -6.458 -0.276 6.572
73 HE2 TYR 13 HE1 TYR 13 -6.961 -4.509 6.399
74 HH TYR 13 HH TYR 13 -7.511 -3.179 8.206
75 H ASN 14 H ASN 14 -4.290 -0.053 1.053
76 HA ASN 14 HA ASN 14 -2.196 -1.010 -0.678
77 HB2 ASN 14 1HB ASN 14 -4.201 0.741 -2.047
78 HB3 ASN 14 2HB ASN 14 -3.030 -0.374 -2.746
79 HD21 ASN 14 1HD2 ASN 14 -3.601 -2.447 -3.121
80 HD22 ASN 14 2HD2 ASN 14 -5.178 -3.087 -2.820
81 H CYS 15 H CYS 15 -0.640 0.525 -1.064
82 HA CYS 15 HA CYS 15 -0.770 2.895 0.577
83 HB2 CYS 15 1HB CYS 15 1.274 1.355 0.186
84 HB3 CYS 15 2HB CYS 15 1.465 2.238 -1.326
85 H GLU 16 H GLU 16 -1.399 4.839 -0.072
86 HA GLU 16 HA GLU 16 -1.908 5.305 -2.898
87 HB2 GLU 16 1HB GLU 16 -3.449 5.905 -0.858
88 HB3 GLU 16 2HB GLU 16 -2.435 7.338 -0.766
89 HG2 GLU 16 1HG GLU 16 -2.989 7.519 -3.318
90 HG3 GLU 16 2HG GLU 16 -4.367 6.514 -2.872
91 H GLU 17 H GLU 17 0.822 5.326 -1.468
92 HA GLU 17 HA GLU 17 1.676 8.010 -2.322
93 HB2 GLU 17 1HB GLU 17 2.834 6.075 -0.326
94 HB3 GLU 17 2HB GLU 17 3.763 7.427 -0.957
95 HG2 GLU 17 1HG GLU 17 1.918 8.931 -0.151
96 HG3 GLU 17 2HG GLU 17 1.242 7.528 0.674
97 H CYS 18 H CYS 18 2.339 4.567 -2.602
98 HA CYS 18 HA CYS 18 4.152 5.160 -4.849
99 HB2 CYS 18 1HB CYS 18 5.154 2.889 -4.351
100 HB3 CYS 18 2HB CYS 18 5.462 4.135 -3.146
101 H GLY 19 H GLY 19 1.851 2.755 -3.583
102 HA2 GLY 19 1HA GLY 19 -0.034 2.233 -5.120
103 HA3 GLY 19 2HA GLY 19 1.178 2.099 -6.386
104 H LYS 20 H LYS 20 1.248 0.859 -3.064
105 HA LYS 20 HA LYS 20 1.614 -1.838 -4.186
106 HB2 LYS 20 1HB LYS 20 3.442 -0.744 -2.750
107 HB3 LYS 20 2HB LYS 20 2.355 -0.999 -1.391
108 HG2 LYS 20 1HG LYS 20 2.493 -3.328 -1.569
109 HG3 LYS 20 2HG LYS 20 3.171 -3.248 -3.197
110 HD2 LYS 20 1HD LYS 20 5.214 -2.233 -2.274
111 HD3 LYS 20 2HD LYS 20 4.534 -2.368 -0.651
112 HE2 LYS 20 1HE LYS 20 4.483 -4.776 -0.831
113 HE3 LYS 20 2HE LYS 20 5.023 -4.694 -2.507
114 HZ1 LYS 20 3HZ LYS 20 6.919 -5.196 -1.251
115 HZ2 LYS 20 1HZ LYS 20 6.559 -4.047 -0.062
116 HZ3 LYS 20 2HZ LYS 20 7.063 -3.547 -1.597
117 H ALA 21 H ALA 21 0.902 -3.606 -2.592
118 HA ALA 21 HA ALA 21 -1.724 -2.872 -1.468
119 HB1 ALA 21 3HB ALA 21 -0.969 -4.962 -3.359
120 HB2 ALA 21 1HB ALA 21 -1.925 -5.552 -1.999
121 HB3 ALA 21 2HB ALA 21 -2.548 -4.255 -3.019
122 H PHE 22 H PHE 22 -2.490 -4.321 0.267
123 HA PHE 22 HA PHE 22 -0.481 -5.848 1.689
124 HB2 PHE 22 1HB PHE 22 -1.702 -3.349 2.875
125 HB3 PHE 22 2HB PHE 22 -0.814 -4.555 3.801
126 HD1 PHE 22 HD2 PHE 22 -0.542 -1.969 1.201
127 HD2 PHE 22 HD1 PHE 22 1.560 -4.655 3.746
128 HE1 PHE 22 HE2 PHE 22 1.565 -0.816 0.670
129 HE2 PHE 22 HE1 PHE 22 3.672 -3.506 3.220
130 HZ PHE 22 HZ PHE 22 3.676 -1.585 1.679
131 H ILE 23 H ILE 23 -1.347 -7.375 3.038
132 HA ILE 23 HA ILE 23 -4.163 -7.900 2.729
133 HB ILE 23 HB ILE 23 -2.067 -9.396 4.307
134 HG12 ILE 23 1HG1 ILE 23 -3.308 -10.199 1.680
135 HG13 ILE 23 2HG1 ILE 23 -1.847 -9.221 1.756
136 HG21 ILE 23 1HG2 ILE 23 -4.527 -9.653 4.973
137 HG22 ILE 23 2HG2 ILE 23 -4.721 -10.479 3.429
138 HG23 ILE 23 3HG2 ILE 23 -3.609 -11.120 4.637
139 HD11 ILE 23 3HD1 ILE 23 -0.904 -11.095 3.221
140 HD12 ILE 23 1HD1 ILE 23 -2.254 -12.055 2.617
141 HD13 ILE 23 2HD1 ILE 23 -1.071 -11.392 1.491
142 H HIS 24 H HIS 24 -1.987 -7.041 5.385
143 HA HIS 24 HA HIS 24 -4.361 -6.470 7.037
144 HB2 HIS 24 1HB HIS 24 -1.618 -7.359 7.955
145 HB3 HIS 24 2HB HIS 24 -2.953 -6.925 9.018
146 HD2 HIS 24 HD2 HIS 24 -1.572 -9.975 7.203
147 HE1 HIS 24 HE1 HIS 24 -5.465 -11.006 8.537
148 HE2 HIS 24 HE2 HIS 24 -3.273 -11.871 7.649
149 H ASP 25 H ASP 25 -4.299 -4.616 8.363
150 HA ASP 25 HA ASP 25 -3.230 -2.324 7.221
151 HB2 ASP 25 1HB ASP 25 -5.066 -2.097 8.720
152 HB3 ASP 25 2HB ASP 25 -4.184 -2.879 10.029
153 H SER 26 H SER 26 -2.149 -3.826 10.274
154 HA SER 26 HA SER 26 0.008 -2.384 10.923
155 HB2 SER 26 1HB SER 26 1.102 -4.494 11.721
156 HB3 SER 26 2HB SER 26 -0.585 -4.339 12.210
157 HG SER 26 HG SER 26 -0.219 -6.412 11.416
158 H GLN 27 H GLN 27 -0.063 -4.794 8.333
159 HA GLN 27 HA GLN 27 2.662 -4.651 7.646
160 HB2 GLN 27 1HB GLN 27 0.261 -5.367 5.956
161 HB3 GLN 27 2HB GLN 27 1.932 -5.614 5.466
162 HG2 GLN 27 1HG GLN 27 2.029 -6.921 7.762
163 HG3 GLN 27 2HG GLN 27 0.300 -7.078 7.459
164 HE21 GLN 27 1HE2 GLN 27 -0.414 -8.345 5.784
165 HE22 GLN 27 2HE2 GLN 27 0.622 -9.407 4.898
166 H LEU 28 H LEU 28 -0.151 -3.115 6.079
167 HA LEU 28 HA LEU 28 1.272 -1.582 4.238
168 HB2 LEU 28 1HB LEU 28 -1.028 -1.760 3.886
169 HB3 LEU 28 2HB LEU 28 -1.409 -1.267 5.534
170 HG LEU 28 HG LEU 28 -0.700 1.033 4.975
171 HD11 LEU 28 1HD1 LEU 28 -0.305 1.664 2.675
172 HD12 LEU 28 2HD1 LEU 28 -0.504 -0.008 2.153
173 HD13 LEU 28 3HD1 LEU 28 0.865 0.440 3.169
174 HD21 LEU 28 3HD2 LEU 28 -2.661 0.521 2.860
175 HD22 LEU 28 1HD2 LEU 28 -2.777 1.534 4.299
176 HD23 LEU 28 2HD2 LEU 28 -3.063 -0.202 4.418
177 H GLN 29 H GLN 29 0.054 -0.646 7.451
178 HA GLN 29 HA GLN 29 1.013 1.964 7.481
179 HB2 GLN 29 1HB GLN 29 0.635 0.014 9.757
180 HB3 GLN 29 2HB GLN 29 0.974 1.726 9.979
181 HG2 GLN 29 1HG GLN 29 -1.473 0.450 8.805
182 HG3 GLN 29 2HG GLN 29 -1.347 1.485 10.227
183 HE21 GLN 29 1HE2 GLN 29 -2.436 1.432 7.194
184 HE22 GLN 29 2HE2 GLN 29 -2.281 3.099 6.769
185 H GLU 30 H GLU 30 2.595 -1.022 8.574
186 HA GLU 30 HA GLU 30 4.952 0.148 9.532
187 HB2 GLU 30 1HB GLU 30 4.314 -2.177 9.999
188 HB3 GLU 30 2HB GLU 30 4.567 -2.590 8.309
189 HG2 GLU 30 1HG GLU 30 6.889 -2.310 8.473
190 HG3 GLU 30 2HG GLU 30 6.760 -1.460 10.012
191 H HIS 31 H HIS 31 3.796 -0.166 6.357
192 HA HIS 31 HA HIS 31 6.449 -0.020 5.151
193 HB2 HIS 31 1HB HIS 31 5.141 -1.429 3.859
194 HB3 HIS 31 2HB HIS 31 3.681 -0.478 4.112
195 HD1 HIS 31 HD1 HIS 31 6.695 -0.731 1.931
196 HD2 HIS 31 HD2 HIS 31 3.331 1.673 2.339
197 HE1 HIS 31 HE1 HIS 31 6.597 0.650 -0.168
198 H GLN 32 H GLN 32 3.412 1.846 5.081
199 HA GLN 32 HA GLN 32 4.051 3.999 3.605
200 HB2 GLN 32 1HB GLN 32 2.521 3.790 6.172
201 HB3 GLN 32 2HB GLN 32 2.767 5.365 5.429
202 HG2 GLN 32 1HG GLN 32 1.791 4.369 3.318
203 HG3 GLN 32 2HG GLN 32 1.307 2.994 4.310
204 HE21 GLN 32 1HE2 GLN 32 -0.368 4.850 2.864
205 HE22 GLN 32 2HE2 GLN 32 -1.396 5.600 4.032
206 H ARG 33 H ARG 33 5.478 3.147 6.644
207 HA ARG 33 HA ARG 33 6.506 5.532 7.556
208 HB2 ARG 33 1HB ARG 33 8.134 2.998 7.542
209 HB3 ARG 33 2HB ARG 33 8.114 4.276 8.751
210 HG2 ARG 33 1HG ARG 33 5.583 3.537 8.962
211 HG3 ARG 33 2HG ARG 33 6.236 2.021 8.338
212 HD2 ARG 33 1HD ARG 33 7.503 1.639 10.203
213 HD3 ARG 33 2HD ARG 33 7.682 3.356 10.564
214 HE ARG 33 HE ARG 33 4.996 2.401 10.889
215 HH11 ARG 33 1HH1 ARG 33 8.110 2.724 12.412
216 HH12 ARG 33 2HH1 ARG 33 7.471 2.681 14.022
217 HH21 ARG 33 1HH2 ARG 33 4.144 2.343 13.004
218 HH22 ARG 33 2HH2 ARG 33 5.216 2.463 14.358
219 H ILE 34 H ILE 34 7.924 3.351 5.135
220 HA ILE 34 HA ILE 34 10.307 4.621 4.641
221 HB ILE 34 HB ILE 34 10.288 3.672 2.426
222 HG12 ILE 34 1HG1 ILE 34 7.464 2.740 2.686
223 HG13 ILE 34 2HG1 ILE 34 7.746 4.405 2.188
224 HG21 ILE 34 1HG2 ILE 34 9.574 2.186 4.790
225 HG22 ILE 34 2HG2 ILE 34 8.993 1.376 3.335
226 HG23 ILE 34 3HG2 ILE 34 10.704 1.771 3.501
227 HD11 ILE 34 3HD1 ILE 34 9.325 3.361 0.434
228 HD12 ILE 34 1HD1 ILE 34 8.451 1.869 0.782
229 HD13 ILE 34 2HD1 ILE 34 7.581 3.281 0.182
230 H HIS 35 H HIS 35 7.111 5.697 3.868
231 HA HIS 35 HA HIS 35 8.019 7.706 1.985
232 HB2 HIS 35 1HB HIS 35 5.305 7.056 3.139
233 HB3 HIS 35 2HB HIS 35 5.586 8.400 2.037
234 HD1 HIS 35 HD1 HIS 35 6.823 7.538 -0.322
235 HD2 HIS 35 HD2 HIS 35 4.572 4.803 1.850
236 HE1 HIS 35 HE1 HIS 35 6.263 5.695 -1.938
237 H THR 36 H THR 36 6.506 7.656 5.205
238 HA THR 36 HA THR 36 6.345 10.332 5.747
239 HB THR 36 HB THR 36 6.339 9.829 8.053
240 HG1 THR 36 HG1 THR 36 8.373 8.738 8.119
241 HG21 THR 36 3HG2 THR 36 4.865 7.973 8.231
242 HG22 THR 36 1HG2 THR 36 5.533 7.215 6.787
243 HG23 THR 36 2HG2 THR 36 4.575 8.689 6.646
244 H GLY 37 H GLY 37 9.197 8.251 6.175
245 HA2 GLY 37 1HA GLY 37 10.902 10.169 7.289
246 HA3 GLY 37 2HA GLY 37 11.424 8.760 6.378
247 H GLU 38 H GLU 38 11.123 12.143 6.399
248 HA GLU 38 HA GLU 38 11.993 12.248 3.586
249 HB2 GLU 38 1HB GLU 38 9.797 13.207 3.690
250 HB3 GLU 38 2HB GLU 38 10.225 14.172 5.096
251 HG2 GLU 38 1HG GLU 38 11.765 15.484 3.749
252 HG3 GLU 38 2HG GLU 38 11.382 14.501 2.337
253 H LYS 39 H LYS 39 13.837 13.316 3.162
254 HA LYS 39 HA LYS 39 15.498 14.128 5.344
255 HB2 LYS 39 1HB LYS 39 16.403 13.038 3.325
256 HB3 LYS 39 2HB LYS 39 15.929 14.435 2.366
257 HG2 LYS 39 1HG LYS 39 17.421 15.790 3.941
258 HG3 LYS 39 2HG LYS 39 18.076 14.230 4.446
259 HD2 LYS 39 1HD LYS 39 19.532 14.764 2.756
260 HD3 LYS 39 2HD LYS 39 18.314 13.862 1.851
261 HE2 LYS 39 1HE LYS 39 17.245 15.949 1.188
262 HE3 LYS 39 2HE LYS 39 18.422 16.865 2.128
263 HZ1 LYS 39 3HZ LYS 39 18.636 16.041 -0.514
264 HZ2 LYS 39 1HZ LYS 39 19.767 15.134 0.357
265 HZ3 LYS 39 2HZ LYS 39 19.809 16.823 0.421
266 HA PRO 40 HA PRO 40 14.370 18.384 5.560
267 HB2 PRO 40 1HB PRO 40 16.599 19.332 6.785
268 HB3 PRO 40 2HB PRO 40 15.370 18.383 7.629
269 HG2 PRO 40 1HG PRO 40 17.999 17.501 6.503
270 HG3 PRO 40 2HG PRO 40 17.248 17.080 8.053
271 HD2 PRO 40 1HD PRO 40 17.188 15.428 5.907
272 HD3 PRO 40 2HD PRO 40 15.873 15.495 7.098
273 H SER 41 H SER 41 15.620 20.598 5.232
274 HA SER 41 HA SER 41 16.599 20.518 2.499
275 HB2 SER 41 1HB SER 41 16.449 23.011 2.661
276 HB3 SER 41 2HB SER 41 14.927 22.189 3.001
277 HG SER 41 HG SER 41 15.011 23.416 4.725
278 H GLY 42 H GLY 42 18.441 19.316 4.061
279 HA2 GLY 42 1HA GLY 42 20.845 19.701 3.681
280 HA3 GLY 42 2HA GLY 42 20.583 21.345 4.243
281 HA PRO 43 HA PRO 43 20.211 18.473 8.129
282 HB2 PRO 43 1HB PRO 43 21.026 15.904 7.798
283 HB3 PRO 43 2HB PRO 43 19.353 16.420 7.554
284 HG2 PRO 43 1HG PRO 43 21.504 15.943 5.527
285 HG3 PRO 43 2HG PRO 43 19.794 15.476 5.475
286 HD2 PRO 43 1HD PRO 43 20.755 17.635 4.154
287 HD3 PRO 43 2HD PRO 43 19.110 17.577 4.819
288 H SER 44 H SER 44 21.948 17.054 9.413
289 HA SER 44 HA SER 44 24.526 18.322 8.838
290 HB2 SER 44 1HB SER 44 23.615 16.920 11.362
291 HB3 SER 44 2HB SER 44 25.087 17.870 11.163
292 HG SER 44 HG SER 44 22.585 19.031 10.622
293 H SER 45 H SER 45 24.355 16.476 7.058
294 HA SER 45 HA SER 45 26.177 14.396 7.970
295 HB2 SER 45 1HB SER 45 24.903 12.560 7.191
296 HB3 SER 45 2HB SER 45 23.762 13.544 8.107
297 HG SER 45 HG SER 45 22.875 14.270 6.231
298 H GLY 46 H GLY 46 26.909 13.041 6.008
299 HA2 GLY 46 1HA GLY 46 28.377 14.418 4.258
300 HA3 GLY 46 2HA GLY 46 27.611 12.907 3.791
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -2.266 -12.509 -26.945
2 HA2 GLY 1 1HA GLY 1 -3.241 -10.643 -25.674
3 HA3 GLY 1 2HA GLY 1 -4.818 -11.328 -26.037
4 H SER 2 H SER 2 -2.648 -10.945 -23.643
5 HA SER 2 HA SER 2 -3.315 -13.507 -22.353
6 HB2 SER 2 1HB SER 2 -0.901 -13.083 -22.573
7 HB3 SER 2 2HB SER 2 -1.086 -11.562 -21.700
8 HG SER 2 HG SER 2 -1.431 -12.638 -19.857
9 H SER 3 H SER 3 -5.348 -12.923 -21.587
10 HA SER 3 HA SER 3 -5.587 -10.580 -19.875
11 HB2 SER 3 1HB SER 3 -7.566 -12.571 -20.971
12 HB3 SER 3 2HB SER 3 -8.015 -11.419 -19.714
13 HG SER 3 HG SER 3 -7.998 -9.861 -21.137
14 H GLY 4 H GLY 4 -6.076 -14.100 -19.630
15 HA2 GLY 4 1HA GLY 4 -5.941 -15.519 -17.831
16 HA3 GLY 4 2HA GLY 4 -4.930 -14.301 -17.068
17 H SER 5 H SER 5 -6.657 -15.852 -15.580
18 HA SER 5 HA SER 5 -8.789 -13.945 -14.871
19 HB2 SER 5 1HB SER 5 -10.153 -15.747 -14.144
20 HB3 SER 5 2HB SER 5 -9.484 -16.261 -15.692
21 HG SER 5 HG SER 5 -9.348 -17.558 -13.449
22 H SER 6 H SER 6 -9.466 -14.269 -12.478
23 HA SER 6 HA SER 6 -7.001 -14.275 -10.868
24 HB2 SER 6 1HB SER 6 -9.483 -12.620 -10.779
25 HB3 SER 6 2HB SER 6 -8.655 -12.955 -9.259
26 HG SER 6 HG SER 6 -6.804 -12.007 -10.093
27 H GLY 7 H GLY 7 -7.543 -14.707 -8.444
28 HA2 GLY 7 1HA GLY 7 -9.549 -16.839 -8.191
29 HA3 GLY 7 2HA GLY 7 -7.878 -17.198 -7.782
30 H THR 8 H THR 8 -8.466 -17.679 -5.636
31 HA THR 8 HA THR 8 -9.844 -15.841 -3.966
32 HB THR 8 HB THR 8 -8.019 -18.125 -3.193
33 HG1 THR 8 HG1 THR 8 -10.180 -18.362 -4.451
34 HG21 THR 8 3HG2 THR 8 -8.192 -17.151 -1.162
35 HG22 THR 8 1HG2 THR 8 -9.801 -17.871 -1.167
36 HG23 THR 8 2HG2 THR 8 -9.589 -16.183 -1.631
37 H GLY 9 H GLY 9 -9.064 -14.442 -2.388
38 HA2 GLY 9 1HA GLY 9 -7.204 -13.555 -1.097
39 HA3 GLY 9 2HA GLY 9 -6.166 -13.891 -2.475
40 H GLU 10 H GLU 10 -6.985 -11.396 -0.875
41 HA GLU 10 HA GLU 10 -6.976 -9.627 -3.144
42 HB2 GLU 10 1HB GLU 10 -9.389 -10.133 -2.899
43 HB3 GLU 10 2HB GLU 10 -9.326 -9.543 -1.244
44 HG2 GLU 10 1HG GLU 10 -8.768 -7.323 -2.019
45 HG3 GLU 10 2HG GLU 10 -8.717 -7.893 -3.686
46 H LYS 11 H LYS 11 -6.469 -7.463 -2.590
47 HA LYS 11 HA LYS 11 -5.403 -7.181 0.140
48 HB2 LYS 11 1HB LYS 11 -4.468 -6.187 -2.525
49 HB3 LYS 11 2HB LYS 11 -4.053 -5.281 -1.075
50 HG2 LYS 11 1HG LYS 11 -2.229 -6.663 -1.343
51 HG3 LYS 11 2HG LYS 11 -3.213 -7.559 -0.183
52 HD2 LYS 11 1HD LYS 11 -4.208 -8.686 -2.307
53 HD3 LYS 11 2HD LYS 11 -2.737 -8.100 -3.087
54 HE2 LYS 11 1HE LYS 11 -1.599 -9.198 -0.975
55 HE3 LYS 11 2HE LYS 11 -3.080 -10.154 -0.959
56 HZ1 LYS 11 3HZ LYS 11 -0.893 -10.149 -2.888
57 HZ2 LYS 11 1HZ LYS 11 -2.452 -10.375 -3.505
58 HZ3 LYS 11 2HZ LYS 11 -1.844 -11.433 -2.334
59 HA PRO 12 HA PRO 12 -8.843 -4.198 0.190
60 HB2 PRO 12 1HB PRO 12 -9.093 -4.225 2.893
61 HB3 PRO 12 2HB PRO 12 -9.825 -5.448 1.849
62 HG2 PRO 12 1HG PRO 12 -7.288 -5.581 3.432
63 HG3 PRO 12 2HG PRO 12 -8.551 -6.810 3.238
64 HD2 PRO 12 1HD PRO 12 -6.226 -6.879 1.852
65 HD3 PRO 12 2HD PRO 12 -7.755 -7.485 1.183
66 H TYR 13 H TYR 13 -5.643 -4.026 0.901
67 HA TYR 13 HA TYR 13 -5.875 -1.225 1.773
68 HB2 TYR 13 1HB TYR 13 -4.067 -3.381 2.827
69 HB3 TYR 13 2HB TYR 13 -3.594 -1.688 2.924
70 HD1 TYR 13 HD2 TYR 13 -4.857 -0.124 4.336
71 HD2 TYR 13 HD1 TYR 13 -5.815 -4.268 4.223
72 HE1 TYR 13 HE2 TYR 13 -6.172 0.129 6.399
73 HE2 TYR 13 HE1 TYR 13 -7.133 -4.026 6.285
74 HH TYR 13 HH TYR 13 -7.364 -2.579 8.164
75 H ASN 14 H ASN 14 -4.070 0.138 1.150
76 HA ASN 14 HA ASN 14 -2.157 -0.813 -0.765
77 HB2 ASN 14 1HB ASN 14 -4.512 0.842 -1.665
78 HB3 ASN 14 2HB ASN 14 -2.994 0.810 -2.558
79 HD21 ASN 14 1HD2 ASN 14 -5.797 -0.995 -1.597
80 HD22 ASN 14 2HD2 ASN 14 -5.580 -2.308 -2.698
81 H CYS 15 H CYS 15 -0.793 0.995 -1.606
82 HA CYS 15 HA CYS 15 -0.608 3.121 0.422
83 HB2 CYS 15 1HB CYS 15 1.289 1.381 0.089
84 HB3 CYS 15 2HB CYS 15 1.660 2.296 -1.369
85 H GLU 16 H GLU 16 -1.880 4.678 -0.534
86 HA GLU 16 HA GLU 16 -1.924 5.376 -3.231
87 HB2 GLU 16 1HB GLU 16 -3.633 6.168 -1.726
88 HB3 GLU 16 2HB GLU 16 -2.449 7.054 -0.776
89 HG2 GLU 16 1HG GLU 16 -2.036 8.546 -2.652
90 HG3 GLU 16 2HG GLU 16 -3.189 7.644 -3.633
91 H GLU 17 H GLU 17 0.552 5.779 -0.968
92 HA GLU 17 HA GLU 17 1.709 8.177 -2.006
93 HB2 GLU 17 1HB GLU 17 2.603 6.030 -0.123
94 HB3 GLU 17 2HB GLU 17 3.788 7.161 -0.763
95 HG2 GLU 17 1HG GLU 17 2.714 7.697 1.485
96 HG3 GLU 17 2HG GLU 17 2.798 8.985 0.284
97 H CYS 18 H CYS 18 2.510 4.725 -2.337
98 HA CYS 18 HA CYS 18 4.142 5.410 -4.690
99 HB2 CYS 18 1HB CYS 18 5.279 3.245 -4.326
100 HB3 CYS 18 2HB CYS 18 5.429 4.316 -2.936
101 H GLY 19 H GLY 19 1.868 2.976 -3.436
102 HA2 GLY 19 1HA GLY 19 -0.055 2.513 -4.951
103 HA3 GLY 19 2HA GLY 19 1.134 2.386 -6.239
104 H LYS 20 H LYS 20 1.548 1.107 -2.991
105 HA LYS 20 HA LYS 20 1.702 -1.585 -4.155
106 HB2 LYS 20 1HB LYS 20 3.641 -0.513 -2.828
107 HB3 LYS 20 2HB LYS 20 2.656 -0.827 -1.405
108 HG2 LYS 20 1HG LYS 20 2.571 -3.244 -2.195
109 HG3 LYS 20 2HG LYS 20 3.868 -2.804 -3.308
110 HD2 LYS 20 1HD LYS 20 5.067 -1.890 -1.227
111 HD3 LYS 20 2HD LYS 20 3.888 -2.826 -0.305
112 HE2 LYS 20 1HE LYS 20 5.602 -4.344 -0.490
113 HE3 LYS 20 2HE LYS 20 4.631 -4.763 -1.901
114 HZ1 LYS 20 3HZ LYS 20 6.112 -3.650 -3.322
115 HZ2 LYS 20 1HZ LYS 20 7.097 -4.535 -2.268
116 HZ3 LYS 20 2HZ LYS 20 6.903 -2.870 -2.046
117 H ALA 21 H ALA 21 0.324 -3.157 -3.572
118 HA ALA 21 HA ALA 21 -1.917 -2.455 -1.880
119 HB1 ALA 21 3HB ALA 21 -2.972 -3.769 -3.322
120 HB2 ALA 21 1HB ALA 21 -1.441 -4.285 -4.028
121 HB3 ALA 21 2HB ALA 21 -2.113 -5.153 -2.647
122 H PHE 22 H PHE 22 -2.621 -3.708 -0.081
123 HA PHE 22 HA PHE 22 -0.639 -5.487 1.130
124 HB2 PHE 22 1HB PHE 22 -1.812 -3.046 2.472
125 HB3 PHE 22 2HB PHE 22 -0.959 -4.324 3.331
126 HD1 PHE 22 HD2 PHE 22 -0.577 -1.737 0.712
127 HD2 PHE 22 HD1 PHE 22 1.379 -4.349 3.446
128 HE1 PHE 22 HE2 PHE 22 1.561 -0.611 0.252
129 HE2 PHE 22 HE1 PHE 22 3.521 -3.226 2.991
130 HZ PHE 22 HZ PHE 22 3.614 -1.355 1.392
131 H ILE 23 H ILE 23 -1.485 -7.030 2.517
132 HA ILE 23 HA ILE 23 -4.297 -7.575 2.163
133 HB ILE 23 HB ILE 23 -2.316 -9.133 3.823
134 HG12 ILE 23 1HG1 ILE 23 -3.085 -9.887 1.028
135 HG13 ILE 23 2HG1 ILE 23 -1.816 -8.693 1.280
136 HG21 ILE 23 1HG2 ILE 23 -3.927 -10.650 4.137
137 HG22 ILE 23 2HG2 ILE 23 -5.040 -9.374 3.649
138 HG23 ILE 23 3HG2 ILE 23 -4.472 -10.550 2.463
139 HD11 ILE 23 3HD1 ILE 23 -1.858 -11.570 2.121
140 HD12 ILE 23 1HD1 ILE 23 -0.725 -10.754 1.044
141 HD13 ILE 23 2HD1 ILE 23 -0.704 -10.407 2.773
142 H HIS 24 H HIS 24 -2.130 -6.806 4.858
143 HA HIS 24 HA HIS 24 -4.511 -6.296 6.519
144 HB2 HIS 24 1HB HIS 24 -1.789 -7.339 7.300
145 HB3 HIS 24 2HB HIS 24 -2.936 -6.703 8.476
146 HD2 HIS 24 HD2 HIS 24 -2.519 -9.814 6.136
147 HE1 HIS 24 HE1 HIS 24 -5.683 -10.563 8.861
148 HE2 HIS 24 HE2 HIS 24 -4.158 -11.556 7.120
149 H ASP 25 H ASP 25 -4.371 -4.532 8.021
150 HA ASP 25 HA ASP 25 -3.289 -2.188 6.902
151 HB2 ASP 25 1HB ASP 25 -3.808 -1.288 9.311
152 HB3 ASP 25 2HB ASP 25 -5.127 -1.767 8.246
153 H SER 26 H SER 26 -2.230 -4.202 9.621
154 HA SER 26 HA SER 26 -0.147 -2.662 10.577
155 HB2 SER 26 1HB SER 26 -0.072 -5.675 10.335
156 HB3 SER 26 2HB SER 26 0.763 -4.677 11.526
157 HG SER 26 HG SER 26 -1.955 -5.349 11.347
158 H GLN 27 H GLN 27 -0.209 -4.831 7.801
159 HA GLN 27 HA GLN 27 2.558 -4.785 7.252
160 HB2 GLN 27 1HB GLN 27 0.205 -5.253 5.416
161 HB3 GLN 27 2HB GLN 27 1.883 -5.538 4.974
162 HG2 GLN 27 1HG GLN 27 1.938 -7.087 7.024
163 HG3 GLN 27 2HG GLN 27 0.179 -7.016 6.936
164 HE21 GLN 27 1HE2 GLN 27 -0.809 -8.406 5.649
165 HE22 GLN 27 2HE2 GLN 27 -0.056 -9.350 4.413
166 H LEU 28 H LEU 28 -0.110 -3.007 5.687
167 HA LEU 28 HA LEU 28 1.463 -1.401 4.042
168 HB2 LEU 28 1HB LEU 28 -0.847 -1.485 3.610
169 HB3 LEU 28 2HB LEU 28 -1.254 -1.013 5.258
170 HG LEU 28 HG LEU 28 -0.296 1.250 4.746
171 HD11 LEU 28 1HD1 LEU 28 -0.155 1.825 2.322
172 HD12 LEU 28 2HD1 LEU 28 -0.229 0.101 1.963
173 HD13 LEU 28 3HD1 LEU 28 1.122 0.750 2.892
174 HD21 LEU 28 3HD2 LEU 28 -2.253 1.918 3.307
175 HD22 LEU 28 1HD2 LEU 28 -2.656 1.020 4.770
176 HD23 LEU 28 2HD2 LEU 28 -2.662 0.205 3.205
177 H GLN 29 H GLN 29 0.261 -0.787 7.325
178 HA GLN 29 HA GLN 29 1.247 1.813 7.609
179 HB2 GLN 29 1HB GLN 29 0.747 -0.351 9.651
180 HB3 GLN 29 2HB GLN 29 1.199 1.292 10.084
181 HG2 GLN 29 1HG GLN 29 -1.295 0.390 8.670
182 HG3 GLN 29 2HG GLN 29 -1.162 1.096 10.279
183 HE21 GLN 29 1HE2 GLN 29 -2.415 1.818 7.530
184 HE22 GLN 29 2HE2 GLN 29 -2.034 3.495 7.370
185 H GLU 30 H GLU 30 2.778 -1.315 8.187
186 HA GLU 30 HA GLU 30 5.154 -0.272 9.339
187 HB2 GLU 30 1HB GLU 30 4.302 -2.651 9.518
188 HB3 GLU 30 2HB GLU 30 4.879 -2.896 7.875
189 HG2 GLU 30 1HG GLU 30 6.588 -3.721 9.217
190 HG3 GLU 30 2HG GLU 30 7.148 -2.120 8.736
191 H HIS 31 H HIS 31 3.967 -0.060 6.240
192 HA HIS 31 HA HIS 31 6.644 0.060 5.032
193 HB2 HIS 31 1HB HIS 31 5.379 -1.343 3.675
194 HB3 HIS 31 2HB HIS 31 3.903 -0.412 3.915
195 HD1 HIS 31 HD1 HIS 31 7.242 -0.083 2.135
196 HD2 HIS 31 HD2 HIS 31 3.334 1.303 1.887
197 HE1 HIS 31 HE1 HIS 31 7.133 1.240 -0.000
198 H GLN 32 H GLN 32 3.636 1.875 5.423
199 HA GLN 32 HA GLN 32 4.285 4.134 3.935
200 HB2 GLN 32 1HB GLN 32 2.588 3.836 6.413
201 HB3 GLN 32 2HB GLN 32 2.694 5.330 5.492
202 HG2 GLN 32 1HG GLN 32 1.983 2.828 4.057
203 HG3 GLN 32 2HG GLN 32 0.769 3.594 5.080
204 HE21 GLN 32 1HE2 GLN 32 -0.466 3.970 3.185
205 HE22 GLN 32 2HE2 GLN 32 -0.081 5.281 2.126
206 H ARG 33 H ARG 33 5.675 2.987 6.811
207 HA ARG 33 HA ARG 33 6.450 5.428 8.012
208 HB2 ARG 33 1HB ARG 33 8.261 3.936 9.066
209 HB3 ARG 33 2HB ARG 33 6.579 3.557 9.412
210 HG2 ARG 33 1HG ARG 33 6.594 1.730 7.889
211 HG3 ARG 33 2HG ARG 33 8.176 2.195 7.260
212 HD2 ARG 33 1HD ARG 33 8.600 0.405 8.719
213 HD3 ARG 33 2HD ARG 33 9.041 1.851 9.627
214 HE ARG 33 HE ARG 33 6.831 0.055 10.165
215 HH11 ARG 33 1HH1 ARG 33 8.312 3.144 10.783
216 HH12 ARG 33 2HH1 ARG 33 7.483 3.387 12.285
217 HH21 ARG 33 1HH2 ARG 33 5.734 0.363 12.140
218 HH22 ARG 33 2HH2 ARG 33 6.018 1.804 13.057
219 H ILE 34 H ILE 34 7.703 3.586 5.355
220 HA ILE 34 HA ILE 34 10.304 4.777 5.330
221 HB ILE 34 HB ILE 34 10.722 3.589 3.374
222 HG12 ILE 34 1HG1 ILE 34 7.736 3.554 2.887
223 HG13 ILE 34 2HG1 ILE 34 8.926 4.507 2.009
224 HG21 ILE 34 1HG2 ILE 34 8.824 1.551 3.915
225 HG22 ILE 34 2HG2 ILE 34 10.520 1.628 4.388
226 HG23 ILE 34 3HG2 ILE 34 9.279 2.296 5.447
227 HD11 ILE 34 3HD1 ILE 34 9.974 2.213 1.438
228 HD12 ILE 34 1HD1 ILE 34 8.394 1.575 1.892
229 HD13 ILE 34 2HD1 ILE 34 8.529 2.747 0.580
230 H HIS 35 H HIS 35 7.190 5.700 4.189
231 HA HIS 35 HA HIS 35 8.148 7.568 2.215
232 HB2 HIS 35 1HB HIS 35 5.452 6.911 3.366
233 HB3 HIS 35 2HB HIS 35 5.672 8.345 2.368
234 HD1 HIS 35 HD1 HIS 35 6.898 7.715 -0.065
235 HD2 HIS 35 HD2 HIS 35 4.785 4.737 1.916
236 HE1 HIS 35 HE1 HIS 35 6.381 5.982 -1.813
237 H THR 36 H THR 36 6.983 7.700 5.540
238 HA THR 36 HA THR 36 6.834 10.499 5.783
239 HB THR 36 HB THR 36 6.782 10.181 8.157
240 HG1 THR 36 HG1 THR 36 7.446 7.455 7.952
241 HG21 THR 36 3HG2 THR 36 4.977 8.663 8.383
242 HG22 THR 36 1HG2 THR 36 5.524 7.694 7.015
243 HG23 THR 36 2HG2 THR 36 4.863 9.307 6.745
244 H GLY 37 H GLY 37 8.621 11.537 4.942
245 HA2 GLY 37 1HA GLY 37 10.962 11.547 6.666
246 HA3 GLY 37 2HA GLY 37 11.246 11.042 5.007
247 H GLU 38 H GLU 38 11.405 12.552 3.424
248 HA GLU 38 HA GLU 38 11.537 15.321 4.297
249 HB2 GLU 38 1HB GLU 38 13.308 14.184 2.866
250 HB3 GLU 38 2HB GLU 38 12.150 14.251 1.545
251 HG2 GLU 38 1HG GLU 38 13.351 16.146 1.149
252 HG3 GLU 38 2HG GLU 38 12.057 16.792 2.156
253 H LYS 39 H LYS 39 8.960 14.548 4.394
254 HA LYS 39 HA LYS 39 7.667 16.408 2.716
255 HB2 LYS 39 1HB LYS 39 7.936 14.797 0.955
256 HB3 LYS 39 2HB LYS 39 7.351 13.496 1.983
257 HG2 LYS 39 1HG LYS 39 5.197 15.010 2.088
258 HG3 LYS 39 2HG LYS 39 5.841 15.621 0.563
259 HD2 LYS 39 1HD LYS 39 5.570 12.676 1.072
260 HD3 LYS 39 2HD LYS 39 4.206 13.634 0.491
261 HE2 LYS 39 1HE LYS 39 6.898 13.540 -0.861
262 HE3 LYS 39 2HE LYS 39 5.540 12.506 -1.303
263 HZ1 LYS 39 3HZ LYS 39 4.250 14.594 -1.676
264 HZ2 LYS 39 1HZ LYS 39 5.527 14.353 -2.759
265 HZ3 LYS 39 2HZ LYS 39 5.691 15.461 -1.492
266 HA PRO 40 HA PRO 40 4.816 16.042 6.052
267 HB2 PRO 40 1HB PRO 40 2.719 17.380 4.965
268 HB3 PRO 40 2HB PRO 40 4.179 18.190 5.544
269 HG2 PRO 40 1HG PRO 40 3.410 17.441 2.749
270 HG3 PRO 40 2HG PRO 40 4.144 18.942 3.344
271 HD2 PRO 40 1HD PRO 40 5.587 16.992 2.141
272 HD3 PRO 40 2HD PRO 40 6.258 18.028 3.417
273 H SER 41 H SER 41 2.883 14.992 6.666
274 HA SER 41 HA SER 41 2.255 12.677 5.139
275 HB2 SER 41 1HB SER 41 0.889 13.839 7.578
276 HB3 SER 41 2HB SER 41 0.589 12.232 6.919
277 HG SER 41 HG SER 41 3.180 13.074 7.663
278 H GLY 42 H GLY 42 1.585 13.706 3.137
279 HA2 GLY 42 1HA GLY 42 -0.084 14.191 1.632
280 HA3 GLY 42 2HA GLY 42 -1.242 13.831 2.904
281 HA PRO 43 HA PRO 43 -0.090 18.529 3.290
282 HB2 PRO 43 1HB PRO 43 1.183 19.606 1.148
283 HB3 PRO 43 2HB PRO 43 2.043 18.915 2.529
284 HG2 PRO 43 1HG PRO 43 1.452 17.693 -0.139
285 HG3 PRO 43 2HG PRO 43 2.951 17.641 0.808
286 HD2 PRO 43 1HD PRO 43 1.194 15.582 0.748
287 HD3 PRO 43 2HD PRO 43 2.175 15.959 2.179
288 H SER 44 H SER 44 -1.065 16.979 0.339
289 HA SER 44 HA SER 44 -2.826 19.234 -0.326
290 HB2 SER 44 1HB SER 44 -3.120 18.016 -2.514
291 HB3 SER 44 2HB SER 44 -1.475 18.568 -2.197
292 HG SER 44 HG SER 44 -2.474 16.009 -2.405
293 H SER 45 H SER 45 -4.257 18.674 1.443
294 HA SER 45 HA SER 45 -5.697 16.163 1.272
295 HB2 SER 45 1HB SER 45 -5.151 17.080 3.481
296 HB3 SER 45 2HB SER 45 -6.080 18.535 3.118
297 HG SER 45 HG SER 45 -7.806 16.760 2.691
298 H GLY 46 H GLY 46 -7.596 15.852 0.292
299 HA2 GLY 46 1HA GLY 46 -9.862 17.051 0.030
300 HA3 GLY 46 2HA GLY 46 -8.911 18.206 -0.892
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -19.590 -4.468 -23.662
2 HA2 GLY 1 1HA GLY 1 -21.829 -5.046 -21.887
3 HA3 GLY 1 2HA GLY 1 -21.184 -6.408 -22.790
4 H SER 2 H SER 2 -21.238 -6.068 -19.927
5 HA SER 2 HA SER 2 -18.343 -5.977 -19.377
6 HB2 SER 2 1HB SER 2 -20.694 -5.088 -17.730
7 HB3 SER 2 2HB SER 2 -19.180 -5.543 -16.950
8 HG SER 2 HG SER 2 -18.247 -3.795 -17.710
9 H SER 3 H SER 3 -17.418 -7.756 -18.573
10 HA SER 3 HA SER 3 -19.185 -9.935 -17.667
11 HB2 SER 3 1HB SER 3 -16.601 -10.068 -19.230
12 HB3 SER 3 2HB SER 3 -17.352 -11.476 -18.480
13 HG SER 3 HG SER 3 -17.986 -10.214 -20.793
14 H GLY 4 H GLY 4 -19.058 -10.037 -15.517
15 HA2 GLY 4 1HA GLY 4 -17.209 -9.015 -13.809
16 HA3 GLY 4 2HA GLY 4 -18.108 -10.484 -13.460
17 H SER 5 H SER 5 -15.529 -10.011 -12.492
18 HA SER 5 HA SER 5 -14.056 -12.143 -13.878
19 HB2 SER 5 1HB SER 5 -12.969 -10.083 -14.529
20 HB3 SER 5 2HB SER 5 -12.911 -9.536 -12.854
21 HG SER 5 HG SER 5 -11.223 -10.759 -12.509
22 H SER 6 H SER 6 -13.492 -13.751 -12.573
23 HA SER 6 HA SER 6 -14.206 -13.878 -9.886
24 HB2 SER 6 1HB SER 6 -12.435 -15.511 -11.656
25 HB3 SER 6 2HB SER 6 -12.393 -15.809 -9.919
26 HG SER 6 HG SER 6 -14.285 -16.716 -10.044
27 H GLY 7 H GLY 7 -13.407 -12.815 -8.206
28 HA2 GLY 7 1HA GLY 7 -11.000 -12.880 -7.073
29 HA3 GLY 7 2HA GLY 7 -10.721 -11.692 -8.338
30 H THR 8 H THR 8 -13.425 -12.311 -6.100
31 HA THR 8 HA THR 8 -13.610 -9.453 -5.579
32 HB THR 8 HB THR 8 -15.636 -10.133 -4.218
33 HG1 THR 8 HG1 THR 8 -15.653 -12.218 -3.806
34 HG21 THR 8 3HG2 THR 8 -15.308 -10.461 -7.150
35 HG22 THR 8 1HG2 THR 8 -16.310 -9.328 -6.244
36 HG23 THR 8 2HG2 THR 8 -16.827 -11.003 -6.437
37 H GLY 9 H GLY 9 -11.279 -10.701 -4.571
38 HA2 GLY 9 1HA GLY 9 -11.418 -9.842 -1.848
39 HA3 GLY 9 2HA GLY 9 -11.305 -11.592 -1.968
40 H GLU 10 H GLU 10 -9.679 -8.557 -2.648
41 HA GLU 10 HA GLU 10 -7.131 -10.023 -2.684
42 HB2 GLU 10 1HB GLU 10 -6.270 -8.655 -4.449
43 HB3 GLU 10 2HB GLU 10 -7.809 -9.311 -4.988
44 HG2 GLU 10 1HG GLU 10 -7.279 -6.523 -3.992
45 HG3 GLU 10 2HG GLU 10 -7.655 -7.013 -5.644
46 H LYS 11 H LYS 11 -5.257 -8.349 -2.458
47 HA LYS 11 HA LYS 11 -5.040 -7.371 -0.001
48 HB2 LYS 11 1HB LYS 11 -3.971 -6.333 -2.586
49 HB3 LYS 11 2HB LYS 11 -3.708 -5.378 -1.133
50 HG2 LYS 11 1HG LYS 11 -1.798 -6.702 -1.330
51 HG3 LYS 11 2HG LYS 11 -2.773 -7.510 -0.100
52 HD2 LYS 11 1HD LYS 11 -3.310 -9.267 -1.490
53 HD3 LYS 11 2HD LYS 11 -3.077 -8.315 -2.958
54 HE2 LYS 11 1HE LYS 11 -0.589 -8.257 -2.202
55 HE3 LYS 11 2HE LYS 11 -1.042 -9.644 -1.213
56 HZ1 LYS 11 3HZ LYS 11 -1.497 -10.923 -3.066
57 HZ2 LYS 11 1HZ LYS 11 -0.142 -10.044 -3.569
58 HZ3 LYS 11 2HZ LYS 11 -1.686 -9.589 -4.089
59 HA PRO 12 HA PRO 12 -8.550 -4.481 -0.025
60 HB2 PRO 12 1HB PRO 12 -8.882 -4.543 2.668
61 HB3 PRO 12 2HB PRO 12 -9.542 -5.779 1.591
62 HG2 PRO 12 1HG PRO 12 -7.051 -5.846 3.251
63 HG3 PRO 12 2HG PRO 12 -8.268 -7.113 3.006
64 HD2 PRO 12 1HD PRO 12 -5.900 -7.094 1.692
65 HD3 PRO 12 2HD PRO 12 -7.388 -7.741 0.971
66 H TYR 13 H TYR 13 -5.379 -4.225 0.814
67 HA TYR 13 HA TYR 13 -5.724 -1.429 1.661
68 HB2 TYR 13 1HB TYR 13 -3.947 -3.539 2.845
69 HB3 TYR 13 2HB TYR 13 -3.495 -1.841 2.942
70 HD1 TYR 13 HD2 TYR 13 -4.804 -0.279 4.290
71 HD2 TYR 13 HD1 TYR 13 -5.809 -4.410 4.120
72 HE1 TYR 13 HE2 TYR 13 -6.235 -0.007 6.272
73 HE2 TYR 13 HE1 TYR 13 -7.244 -4.149 6.100
74 HH TYR 13 HH TYR 13 -7.588 -2.709 7.947
75 H ASN 14 H ASN 14 -4.211 0.041 0.881
76 HA ASN 14 HA ASN 14 -2.066 -0.899 -0.836
77 HB2 ASN 14 1HB ASN 14 -3.955 1.102 -2.027
78 HB3 ASN 14 2HB ASN 14 -2.807 0.039 -2.835
79 HD21 ASN 14 1HD2 ASN 14 -3.454 -1.924 -3.510
80 HD22 ASN 14 2HD2 ASN 14 -5.050 -2.550 -3.299
81 H CYS 15 H CYS 15 -0.567 0.780 -1.426
82 HA CYS 15 HA CYS 15 -0.541 2.944 0.546
83 HB2 CYS 15 1HB CYS 15 1.413 1.290 0.165
84 HB3 CYS 15 2HB CYS 15 1.741 2.239 -1.281
85 H GLU 16 H GLU 16 -1.911 4.450 -0.384
86 HA GLU 16 HA GLU 16 -2.002 5.242 -3.038
87 HB2 GLU 16 1HB GLU 16 -3.533 5.901 -1.079
88 HB3 GLU 16 2HB GLU 16 -2.367 7.178 -0.763
89 HG2 GLU 16 1HG GLU 16 -2.706 7.921 -3.144
90 HG3 GLU 16 2HG GLU 16 -4.058 6.791 -3.214
91 H GLU 17 H GLU 17 0.491 5.691 -0.780
92 HA GLU 17 HA GLU 17 1.578 8.127 -1.772
93 HB2 GLU 17 1HB GLU 17 2.732 5.881 -0.126
94 HB3 GLU 17 2HB GLU 17 3.680 7.285 -0.594
95 HG2 GLU 17 1HG GLU 17 1.169 7.303 1.063
96 HG3 GLU 17 2HG GLU 17 2.815 7.546 1.647
97 H CYS 18 H CYS 18 2.553 4.726 -2.219
98 HA CYS 18 HA CYS 18 4.051 5.551 -4.613
99 HB2 CYS 18 1HB CYS 18 5.166 3.295 -4.360
100 HB3 CYS 18 2HB CYS 18 5.500 4.451 -3.074
101 H GLY 19 H GLY 19 1.801 3.096 -3.388
102 HA2 GLY 19 1HA GLY 19 -0.118 2.626 -4.888
103 HA3 GLY 19 2HA GLY 19 1.054 2.539 -6.194
104 H LYS 20 H LYS 20 1.490 1.191 -2.972
105 HA LYS 20 HA LYS 20 1.855 -1.442 -4.178
106 HB2 LYS 20 1HB LYS 20 3.487 -0.350 -2.513
107 HB3 LYS 20 2HB LYS 20 2.296 -0.750 -1.282
108 HG2 LYS 20 1HG LYS 20 2.680 -2.999 -1.440
109 HG3 LYS 20 2HG LYS 20 3.219 -2.900 -3.118
110 HD2 LYS 20 1HD LYS 20 5.180 -1.499 -2.037
111 HD3 LYS 20 2HD LYS 20 4.731 -2.418 -0.598
112 HE2 LYS 20 1HE LYS 20 6.302 -3.810 -1.527
113 HE3 LYS 20 2HE LYS 20 4.826 -4.453 -2.245
114 HZ1 LYS 20 3HZ LYS 20 5.340 -2.852 -4.149
115 HZ2 LYS 20 1HZ LYS 20 6.282 -4.251 -4.023
116 HZ3 LYS 20 2HZ LYS 20 6.900 -2.767 -3.498
117 H ALA 21 H ALA 21 1.138 -3.301 -2.603
118 HA ALA 21 HA ALA 21 -1.572 -2.743 -1.607
119 HB1 ALA 21 3HB ALA 21 -0.734 -4.788 -3.614
120 HB2 ALA 21 1HB ALA 21 -2.088 -5.125 -2.534
121 HB3 ALA 21 2HB ALA 21 -2.143 -3.727 -3.610
122 H PHE 22 H PHE 22 -2.277 -4.036 0.105
123 HA PHE 22 HA PHE 22 -0.405 -5.992 1.202
124 HB2 PHE 22 1HB PHE 22 -1.418 -3.571 2.699
125 HB3 PHE 22 2HB PHE 22 -0.666 -4.958 3.479
126 HD1 PHE 22 HD2 PHE 22 -0.105 -2.108 1.230
127 HD2 PHE 22 HD1 PHE 22 1.691 -5.295 3.405
128 HE1 PHE 22 HE2 PHE 22 2.112 -1.111 0.853
129 HE2 PHE 22 HE1 PHE 22 3.911 -4.302 3.033
130 HZ PHE 22 HZ PHE 22 4.124 -2.208 1.755
131 H ILE 23 H ILE 23 -1.372 -7.251 2.995
132 HA ILE 23 HA ILE 23 -4.156 -7.831 2.377
133 HB ILE 23 HB ILE 23 -2.185 -9.290 4.140
134 HG12 ILE 23 1HG1 ILE 23 -1.737 -9.321 1.675
135 HG13 ILE 23 2HG1 ILE 23 -2.056 -10.910 2.362
136 HG21 ILE 23 1HG2 ILE 23 -4.140 -11.084 3.609
137 HG22 ILE 23 2HG2 ILE 23 -4.058 -10.109 5.076
138 HG23 ILE 23 3HG2 ILE 23 -5.079 -9.596 3.733
139 HD11 ILE 23 3HD1 ILE 23 -3.180 -10.712 0.258
140 HD12 ILE 23 1HD1 ILE 23 -4.383 -10.742 1.547
141 HD13 ILE 23 2HD1 ILE 23 -3.962 -9.216 0.768
142 H HIS 24 H HIS 24 -2.173 -7.053 5.222
143 HA HIS 24 HA HIS 24 -4.647 -6.407 6.682
144 HB2 HIS 24 1HB HIS 24 -1.901 -7.126 7.726
145 HB3 HIS 24 2HB HIS 24 -3.254 -6.633 8.739
146 HD2 HIS 24 HD2 HIS 24 -2.145 -9.709 6.584
147 HE1 HIS 24 HE1 HIS 24 -5.444 -10.841 8.999
148 HE2 HIS 24 HE2 HIS 24 -3.616 -11.646 7.464
149 H ASP 25 H ASP 25 -4.266 -4.649 8.398
150 HA ASP 25 HA ASP 25 -3.453 -2.277 7.020
151 HB2 ASP 25 1HB ASP 25 -3.984 -1.208 9.294
152 HB3 ASP 25 2HB ASP 25 -5.308 -1.997 8.441
153 H SER 26 H SER 26 -2.340 -3.803 10.048
154 HA SER 26 HA SER 26 -0.247 -2.194 10.698
155 HB2 SER 26 1HB SER 26 0.752 -4.072 11.841
156 HB3 SER 26 2HB SER 26 -1.001 -4.220 11.969
157 HG SER 26 HG SER 26 -0.882 -6.034 10.929
158 H GLN 27 H GLN 27 -0.221 -4.794 8.295
159 HA GLN 27 HA GLN 27 2.490 -4.747 7.653
160 HB2 GLN 27 1HB GLN 27 0.084 -5.389 5.947
161 HB3 GLN 27 2HB GLN 27 1.742 -5.649 5.422
162 HG2 GLN 27 1HG GLN 27 1.862 -6.976 7.710
163 HG3 GLN 27 2HG GLN 27 0.129 -7.118 7.425
164 HE21 GLN 27 1HE2 GLN 27 -0.593 -8.547 5.964
165 HE22 GLN 27 2HE2 GLN 27 0.418 -9.537 4.973
166 H LEU 28 H LEU 28 -0.194 -3.013 6.076
167 HA LEU 28 HA LEU 28 1.365 -1.605 4.226
168 HB2 LEU 28 1HB LEU 28 -0.942 -1.658 3.837
169 HB3 LEU 28 2HB LEU 28 -1.318 -1.098 5.465
170 HG LEU 28 HG LEU 28 -0.380 1.130 4.833
171 HD11 LEU 28 1HD1 LEU 28 -0.433 1.415 2.229
172 HD12 LEU 28 2HD1 LEU 28 -0.030 -0.301 2.244
173 HD13 LEU 28 3HD1 LEU 28 1.029 0.859 3.046
174 HD21 LEU 28 3HD2 LEU 28 -2.589 1.433 4.686
175 HD22 LEU 28 1HD2 LEU 28 -2.837 -0.114 3.876
176 HD23 LEU 28 2HD2 LEU 28 -2.362 1.304 2.941
177 H GLN 29 H GLN 29 0.110 -0.551 7.390
178 HA GLN 29 HA GLN 29 1.188 1.991 7.455
179 HB2 GLN 29 1HB GLN 29 0.733 0.021 9.695
180 HB3 GLN 29 2HB GLN 29 1.199 1.696 9.965
181 HG2 GLN 29 1HG GLN 29 -1.332 0.682 8.700
182 HG3 GLN 29 2HG GLN 29 -1.157 1.525 10.238
183 HE21 GLN 29 1HE2 GLN 29 -1.998 1.870 7.075
184 HE22 GLN 29 2HE2 GLN 29 -1.804 3.579 6.911
185 H GLU 30 H GLU 30 2.681 -1.041 8.559
186 HA GLU 30 HA GLU 30 5.082 0.036 9.486
187 HB2 GLU 30 1HB GLU 30 4.174 -2.357 9.717
188 HB3 GLU 30 2HB GLU 30 4.893 -2.649 8.140
189 HG2 GLU 30 1HG GLU 30 6.453 -1.602 10.482
190 HG3 GLU 30 2HG GLU 30 6.276 -3.319 10.127
191 H HIS 31 H HIS 31 3.895 -0.208 6.313
192 HA HIS 31 HA HIS 31 6.557 -0.068 5.111
193 HB2 HIS 31 1HB HIS 31 5.304 -1.499 3.803
194 HB3 HIS 31 2HB HIS 31 3.807 -0.613 4.080
195 HD1 HIS 31 HD1 HIS 31 6.872 -0.623 1.922
196 HD2 HIS 31 HD2 HIS 31 3.276 1.430 2.264
197 HE1 HIS 31 HE1 HIS 31 6.672 0.738 -0.183
198 H GLN 32 H GLN 32 3.510 1.771 5.143
199 HA GLN 32 HA GLN 32 4.136 3.922 3.607
200 HB2 GLN 32 1HB GLN 32 2.680 3.949 6.256
201 HB3 GLN 32 2HB GLN 32 2.666 5.272 5.097
202 HG2 GLN 32 1HG GLN 32 1.787 3.504 3.437
203 HG3 GLN 32 2HG GLN 32 1.418 2.566 4.883
204 HE21 GLN 32 1HE2 GLN 32 -0.420 3.641 2.948
205 HE22 GLN 32 2HE2 GLN 32 -1.469 4.719 3.800
206 H ARG 33 H ARG 33 5.515 3.088 6.669
207 HA ARG 33 HA ARG 33 6.471 5.498 7.606
208 HB2 ARG 33 1HB ARG 33 8.133 2.987 7.645
209 HB3 ARG 33 2HB ARG 33 8.073 4.272 8.844
210 HG2 ARG 33 1HG ARG 33 5.545 3.504 9.002
211 HG3 ARG 33 2HG ARG 33 6.232 1.991 8.408
212 HD2 ARG 33 1HD ARG 33 6.311 1.804 10.742
213 HD3 ARG 33 2HD ARG 33 7.954 2.239 10.272
214 HE ARG 33 HE ARG 33 6.248 4.463 10.985
215 HH11 ARG 33 1HH1 ARG 33 8.573 2.111 12.072
216 HH12 ARG 33 2HH1 ARG 33 9.055 3.034 13.457
217 HH21 ARG 33 1HH2 ARG 33 6.873 5.688 12.805
218 HH22 ARG 33 2HH2 ARG 33 8.086 5.068 13.874
219 H ILE 34 H ILE 34 8.024 3.316 5.266
220 HA ILE 34 HA ILE 34 10.399 4.528 4.803
221 HB ILE 34 HB ILE 34 10.409 3.658 2.596
222 HG12 ILE 34 1HG1 ILE 34 7.399 3.411 2.728
223 HG13 ILE 34 2HG1 ILE 34 8.239 4.735 1.927
224 HG21 ILE 34 1HG2 ILE 34 8.573 1.610 3.506
225 HG22 ILE 34 2HG2 ILE 34 10.317 1.535 3.262
226 HG23 ILE 34 3HG2 ILE 34 9.665 2.137 4.786
227 HD11 ILE 34 3HD1 ILE 34 7.945 1.901 1.116
228 HD12 ILE 34 1HD1 ILE 34 7.869 3.374 0.150
229 HD13 ILE 34 2HD1 ILE 34 9.430 2.742 0.674
230 H HIS 35 H HIS 35 7.251 5.751 3.941
231 HA HIS 35 HA HIS 35 8.274 7.840 2.237
232 HB2 HIS 35 1HB HIS 35 5.517 7.428 3.413
233 HB3 HIS 35 2HB HIS 35 5.932 8.630 2.195
234 HD1 HIS 35 HD1 HIS 35 6.042 7.864 -0.212
235 HD2 HIS 35 HD2 HIS 35 5.574 4.726 2.471
236 HE1 HIS 35 HE1 HIS 35 5.546 5.841 -1.622
237 H THR 36 H THR 36 6.664 7.757 5.416
238 HA THR 36 HA THR 36 6.610 10.334 6.162
239 HB THR 36 HB THR 36 6.886 9.697 8.457
240 HG1 THR 36 HG1 THR 36 8.433 7.656 7.339
241 HG21 THR 36 3HG2 THR 36 5.731 7.282 7.070
242 HG22 THR 36 1HG2 THR 36 4.888 8.826 7.187
243 HG23 THR 36 2HG2 THR 36 5.297 7.932 8.651
244 H GLY 37 H GLY 37 8.128 11.751 5.429
245 HA2 GLY 37 1HA GLY 37 10.956 11.201 5.910
246 HA3 GLY 37 2HA GLY 37 10.300 12.531 4.966
247 H GLU 38 H GLU 38 11.031 14.346 5.868
248 HA GLU 38 HA GLU 38 11.478 14.580 8.694
249 HB2 GLU 38 1HB GLU 38 12.683 15.755 6.659
250 HB3 GLU 38 2HB GLU 38 11.422 16.958 6.887
251 HG2 GLU 38 1HG GLU 38 13.306 17.689 8.108
252 HG3 GLU 38 2HG GLU 38 12.126 17.112 9.284
253 H LYS 39 H LYS 39 9.043 13.927 8.892
254 HA LYS 39 HA LYS 39 7.671 16.239 9.853
255 HB2 LYS 39 1HB LYS 39 5.751 16.210 8.428
256 HB3 LYS 39 2HB LYS 39 7.171 16.316 7.395
257 HG2 LYS 39 1HG LYS 39 7.009 13.840 7.069
258 HG3 LYS 39 2HG LYS 39 5.464 13.896 7.919
259 HD2 LYS 39 1HD LYS 39 4.833 15.705 6.192
260 HD3 LYS 39 2HD LYS 39 6.205 15.089 5.268
261 HE2 LYS 39 1HE LYS 39 3.915 13.399 6.263
262 HE3 LYS 39 2HE LYS 39 4.023 14.074 4.638
263 HZ1 LYS 39 3HZ LYS 39 5.945 12.165 5.857
264 HZ2 LYS 39 1HZ LYS 39 6.073 12.828 4.305
265 HZ3 LYS 39 2HZ LYS 39 4.789 11.793 4.679
266 HA PRO 40 HA PRO 40 5.941 13.205 12.518
267 HB2 PRO 40 1HB PRO 40 3.670 14.469 13.302
268 HB3 PRO 40 2HB PRO 40 5.278 14.949 13.859
269 HG2 PRO 40 1HG PRO 40 3.588 16.143 11.695
270 HG3 PRO 40 2HG PRO 40 4.551 16.958 12.942
271 HD2 PRO 40 1HD PRO 40 5.414 16.669 10.392
272 HD3 PRO 40 2HD PRO 40 6.522 16.682 11.779
273 H SER 41 H SER 41 3.685 12.176 13.007
274 HA SER 41 HA SER 41 2.728 11.106 10.493
275 HB2 SER 41 1HB SER 41 2.287 10.398 13.384
276 HB3 SER 41 2HB SER 41 1.289 9.689 12.115
277 HG SER 41 HG SER 41 4.047 9.397 12.585
278 H GLY 42 H GLY 42 1.455 12.603 9.487
279 HA2 GLY 42 1HA GLY 42 -0.334 14.007 9.114
280 HA3 GLY 42 2HA GLY 42 -1.226 12.774 9.995
281 HA PRO 43 HA PRO 43 0.060 16.158 13.221
282 HB2 PRO 43 1HB PRO 43 0.987 18.491 12.188
283 HB3 PRO 43 2HB PRO 43 2.047 17.146 12.625
284 HG2 PRO 43 1HG PRO 43 1.000 17.935 9.934
285 HG3 PRO 43 2HG PRO 43 2.632 17.413 10.391
286 HD2 PRO 43 1HD PRO 43 0.845 15.750 9.219
287 HD3 PRO 43 2HD PRO 43 2.056 15.181 10.386
288 H SER 44 H SER 44 -2.274 16.062 13.184
289 HA SER 44 HA SER 44 -3.968 17.555 11.586
290 HB2 SER 44 1HB SER 44 -4.445 15.802 13.498
291 HB3 SER 44 2HB SER 44 -4.609 17.247 14.495
292 HG SER 44 HG SER 44 -6.014 17.868 12.492
293 H SER 45 H SER 45 -4.550 19.639 11.459
294 HA SER 45 HA SER 45 -3.041 21.583 12.953
295 HB2 SER 45 1HB SER 45 -5.233 21.934 10.893
296 HB3 SER 45 2HB SER 45 -4.247 23.238 11.554
297 HG SER 45 HG SER 45 -3.443 21.079 9.916
298 H GLY 46 H GLY 46 -6.527 20.939 12.526
299 HA2 GLY 46 1HA GLY 46 -7.320 21.005 15.138
300 HA3 GLY 46 2HA GLY 46 -7.241 22.700 14.683
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.536 -16.799 -27.717
2 HA2 GLY 1 1HA GLY 1 1.173 -18.062 -25.953
3 HA3 GLY 1 2HA GLY 1 2.602 -17.833 -24.957
4 H SER 2 H SER 2 0.047 -16.914 -24.246
5 HA SER 2 HA SER 2 0.445 -13.998 -24.397
6 HB2 SER 2 1HB SER 2 -2.022 -13.765 -24.178
7 HB3 SER 2 2HB SER 2 -1.547 -14.601 -25.656
8 HG SER 2 HG SER 2 -2.034 -16.176 -23.416
9 H SER 3 H SER 3 -0.968 -12.946 -22.536
10 HA SER 3 HA SER 3 0.242 -13.760 -20.102
11 HB2 SER 3 1HB SER 3 -0.233 -11.422 -20.450
12 HB3 SER 3 2HB SER 3 -1.949 -11.755 -20.679
13 HG SER 3 HG SER 3 -1.490 -10.996 -18.567
14 H GLY 4 H GLY 4 -3.070 -13.973 -21.357
15 HA2 GLY 4 1HA GLY 4 -4.755 -15.453 -20.828
16 HA3 GLY 4 2HA GLY 4 -3.594 -16.344 -19.854
17 H SER 5 H SER 5 -6.454 -14.908 -19.646
18 HA SER 5 HA SER 5 -6.158 -13.311 -17.291
19 HB2 SER 5 1HB SER 5 -8.021 -12.770 -18.647
20 HB3 SER 5 2HB SER 5 -8.540 -14.453 -18.746
21 HG SER 5 HG SER 5 -9.171 -12.580 -16.912
22 H SER 6 H SER 6 -4.973 -14.778 -15.939
23 HA SER 6 HA SER 6 -6.751 -16.526 -14.420
24 HB2 SER 6 1HB SER 6 -5.598 -17.979 -16.074
25 HB3 SER 6 2HB SER 6 -4.047 -17.452 -15.420
26 HG SER 6 HG SER 6 -5.229 -18.223 -13.327
27 H GLY 7 H GLY 7 -6.680 -15.578 -12.483
28 HA2 GLY 7 1HA GLY 7 -5.097 -15.698 -10.483
29 HA3 GLY 7 2HA GLY 7 -4.063 -14.672 -11.467
30 H THR 8 H THR 8 -4.785 -13.813 -8.997
31 HA THR 8 HA THR 8 -6.092 -11.344 -9.596
32 HB THR 8 HB THR 8 -8.065 -12.837 -9.296
33 HG1 THR 8 HG1 THR 8 -7.764 -10.915 -7.211
34 HG21 THR 8 3HG2 THR 8 -6.959 -13.111 -6.500
35 HG22 THR 8 1HG2 THR 8 -7.196 -14.402 -7.677
36 HG23 THR 8 2HG2 THR 8 -8.590 -13.577 -6.980
37 H GLY 9 H GLY 9 -5.632 -9.769 -8.097
38 HA2 GLY 9 1HA GLY 9 -4.181 -10.648 -5.679
39 HA3 GLY 9 2HA GLY 9 -3.576 -9.346 -6.692
40 H GLU 10 H GLU 10 -6.514 -10.284 -4.908
41 HA GLU 10 HA GLU 10 -7.307 -7.529 -4.595
42 HB2 GLU 10 1HB GLU 10 -8.989 -9.301 -4.861
43 HB3 GLU 10 2HB GLU 10 -8.442 -10.048 -3.366
44 HG2 GLU 10 1HG GLU 10 -9.241 -8.245 -2.063
45 HG3 GLU 10 2HG GLU 10 -9.511 -7.245 -3.488
46 H LYS 11 H LYS 11 -7.079 -6.252 -2.836
47 HA LYS 11 HA LYS 11 -6.145 -7.366 -0.319
48 HB2 LYS 11 1HB LYS 11 -4.541 -5.377 -1.930
49 HB3 LYS 11 2HB LYS 11 -4.271 -5.684 -0.219
50 HG2 LYS 11 1HG LYS 11 -4.094 -7.784 -2.368
51 HG3 LYS 11 2HG LYS 11 -2.715 -6.893 -1.718
52 HD2 LYS 11 1HD LYS 11 -3.140 -7.789 0.493
53 HD3 LYS 11 2HD LYS 11 -4.592 -8.606 -0.089
54 HE2 LYS 11 1HE LYS 11 -3.041 -10.314 -0.115
55 HE3 LYS 11 2HE LYS 11 -2.959 -9.726 -1.775
56 HZ1 LYS 11 3HZ LYS 11 -0.840 -9.180 -1.508
57 HZ2 LYS 11 1HZ LYS 11 -0.865 -9.981 -0.018
58 HZ3 LYS 11 2HZ LYS 11 -1.155 -8.316 -0.088
59 HA PRO 12 HA PRO 12 -8.978 -4.196 0.970
60 HB2 PRO 12 1HB PRO 12 -8.669 -4.586 3.639
61 HB3 PRO 12 2HB PRO 12 -9.624 -5.665 2.614
62 HG2 PRO 12 1HG PRO 12 -6.819 -5.988 3.609
63 HG3 PRO 12 2HG PRO 12 -8.119 -7.191 3.518
64 HD2 PRO 12 1HD PRO 12 -6.130 -7.054 1.686
65 HD3 PRO 12 2HD PRO 12 -7.775 -7.577 1.272
66 H TYR 13 H TYR 13 -5.681 -4.125 1.078
67 HA TYR 13 HA TYR 13 -5.689 -1.386 2.112
68 HB2 TYR 13 1HB TYR 13 -3.899 -3.621 3.050
69 HB3 TYR 13 2HB TYR 13 -3.445 -1.930 3.224
70 HD1 TYR 13 HD2 TYR 13 -4.671 -0.463 4.754
71 HD2 TYR 13 HD1 TYR 13 -5.639 -4.592 4.413
72 HE1 TYR 13 HE2 TYR 13 -5.949 -0.330 6.851
73 HE2 TYR 13 HE1 TYR 13 -6.921 -4.471 6.509
74 HH TYR 13 HH TYR 13 -6.888 -1.605 8.519
75 H ASN 14 H ASN 14 -4.041 -0.053 1.280
76 HA ASN 14 HA ASN 14 -2.082 -1.052 -0.552
77 HB2 ASN 14 1HB ASN 14 -4.154 0.736 -1.804
78 HB3 ASN 14 2HB ASN 14 -2.922 -0.244 -2.595
79 HD21 ASN 14 1HD2 ASN 14 -3.241 -2.470 -2.798
80 HD22 ASN 14 2HD2 ASN 14 -4.808 -3.181 -2.640
81 H CYS 15 H CYS 15 -0.495 0.447 -0.999
82 HA CYS 15 HA CYS 15 -0.462 2.773 0.699
83 HB2 CYS 15 1HB CYS 15 1.512 1.203 0.147
84 HB3 CYS 15 2HB CYS 15 1.625 2.102 -1.362
85 H GLU 16 H GLU 16 -1.358 4.632 0.126
86 HA GLU 16 HA GLU 16 -1.887 5.236 -2.653
87 HB2 GLU 16 1HB GLU 16 -2.529 6.667 -0.077
88 HB3 GLU 16 2HB GLU 16 -2.915 7.333 -1.657
89 HG2 GLU 16 1HG GLU 16 -4.889 6.325 -1.198
90 HG3 GLU 16 2HG GLU 16 -4.062 4.974 -1.973
91 H GLU 17 H GLU 17 0.888 5.238 -1.346
92 HA GLU 17 HA GLU 17 1.666 7.979 -2.086
93 HB2 GLU 17 1HB GLU 17 2.932 5.963 -0.241
94 HB3 GLU 17 2HB GLU 17 3.815 7.360 -0.838
95 HG2 GLU 17 1HG GLU 17 1.187 7.645 0.571
96 HG3 GLU 17 2HG GLU 17 2.710 7.535 1.451
97 H CYS 18 H CYS 18 2.380 4.567 -2.565
98 HA CYS 18 HA CYS 18 4.084 5.309 -4.854
99 HB2 CYS 18 1HB CYS 18 5.168 3.059 -4.518
100 HB3 CYS 18 2HB CYS 18 5.468 4.225 -3.234
101 H GLY 19 H GLY 19 1.886 2.794 -3.618
102 HA2 GLY 19 1HA GLY 19 -0.053 2.355 -5.147
103 HA3 GLY 19 2HA GLY 19 1.149 2.219 -6.422
104 H LYS 20 H LYS 20 1.321 0.948 -3.125
105 HA LYS 20 HA LYS 20 1.598 -1.744 -4.277
106 HB2 LYS 20 1HB LYS 20 3.401 -0.557 -2.756
107 HB3 LYS 20 2HB LYS 20 2.359 -1.120 -1.456
108 HG2 LYS 20 1HG LYS 20 2.588 -3.416 -2.276
109 HG3 LYS 20 2HG LYS 20 3.655 -2.842 -3.560
110 HD2 LYS 20 1HD LYS 20 5.371 -2.338 -2.083
111 HD3 LYS 20 2HD LYS 20 4.281 -2.226 -0.699
112 HE2 LYS 20 1HE LYS 20 4.656 -4.829 -2.126
113 HE3 LYS 20 2HE LYS 20 5.841 -4.288 -0.939
114 HZ1 LYS 20 3HZ LYS 20 3.059 -4.159 -0.112
115 HZ2 LYS 20 1HZ LYS 20 4.429 -4.633 0.761
116 HZ3 LYS 20 2HZ LYS 20 3.694 -5.714 -0.312
117 H ALA 21 H ALA 21 0.774 -3.545 -2.914
118 HA ALA 21 HA ALA 21 -1.757 -2.774 -1.613
119 HB1 ALA 21 3HB ALA 21 -1.103 -5.281 -3.155
120 HB2 ALA 21 1HB ALA 21 -2.616 -4.984 -2.298
121 HB3 ALA 21 2HB ALA 21 -2.165 -3.971 -3.670
122 H PHE 22 H PHE 22 -2.448 -4.000 0.203
123 HA PHE 22 HA PHE 22 -0.459 -5.744 1.450
124 HB2 PHE 22 1HB PHE 22 -1.609 -3.253 2.713
125 HB3 PHE 22 2HB PHE 22 -0.827 -4.530 3.639
126 HD1 PHE 22 HD2 PHE 22 -0.299 -1.955 1.054
127 HD2 PHE 22 HD1 PHE 22 1.526 -4.717 3.728
128 HE1 PHE 22 HE2 PHE 22 1.890 -0.915 0.628
129 HE2 PHE 22 HE1 PHE 22 3.718 -3.682 3.308
130 HZ PHE 22 HZ PHE 22 3.902 -1.779 1.755
131 H ILE 23 H ILE 23 -1.303 -7.245 2.896
132 HA ILE 23 HA ILE 23 -4.053 -7.920 2.485
133 HB ILE 23 HB ILE 23 -2.291 -9.187 4.563
134 HG12 ILE 23 1HG1 ILE 23 -1.847 -10.789 2.471
135 HG13 ILE 23 2HG1 ILE 23 -2.054 -9.275 1.596
136 HG21 ILE 23 1HG2 ILE 23 -3.811 -10.831 4.600
137 HG22 ILE 23 2HG2 ILE 23 -4.874 -9.659 3.823
138 HG23 ILE 23 3HG2 ILE 23 -3.992 -10.833 2.846
139 HD11 ILE 23 3HD1 ILE 23 0.204 -10.237 3.082
140 HD12 ILE 23 1HD1 ILE 23 0.077 -8.851 1.999
141 HD13 ILE 23 2HD1 ILE 23 -0.333 -8.677 3.705
142 H HIS 24 H HIS 24 -2.153 -6.931 5.329
143 HA HIS 24 HA HIS 24 -4.686 -6.202 6.649
144 HB2 HIS 24 1HB HIS 24 -2.097 -7.212 7.831
145 HB3 HIS 24 2HB HIS 24 -3.372 -6.480 8.801
146 HD2 HIS 24 HD2 HIS 24 -2.695 -9.775 6.806
147 HE1 HIS 24 HE1 HIS 24 -6.215 -10.278 9.119
148 HE2 HIS 24 HE2 HIS 24 -4.480 -11.422 7.697
149 H ASP 25 H ASP 25 -4.097 -4.564 8.549
150 HA ASP 25 HA ASP 25 -3.193 -2.192 7.223
151 HB2 ASP 25 1HB ASP 25 -3.491 -1.291 9.686
152 HB3 ASP 25 2HB ASP 25 -4.892 -1.684 8.693
153 H SER 26 H SER 26 -2.115 -3.723 10.262
154 HA SER 26 HA SER 26 0.107 -2.341 10.849
155 HB2 SER 26 1HB SER 26 1.122 -4.468 11.696
156 HB3 SER 26 2HB SER 26 -0.554 -4.236 12.196
157 HG SER 26 HG SER 26 -1.201 -5.727 10.690
158 H GLN 27 H GLN 27 -0.160 -4.722 8.263
159 HA GLN 27 HA GLN 27 2.570 -4.777 7.551
160 HB2 GLN 27 1HB GLN 27 0.183 -5.273 5.767
161 HB3 GLN 27 2HB GLN 27 1.832 -5.811 5.479
162 HG2 GLN 27 1HG GLN 27 1.591 -7.063 7.708
163 HG3 GLN 27 2HG GLN 27 -0.139 -6.795 7.501
164 HE21 GLN 27 1HE2 GLN 27 2.659 -7.909 5.622
165 HE22 GLN 27 2HE2 GLN 27 1.835 -9.215 4.849
166 H LEU 28 H LEU 28 -0.164 -3.044 6.055
167 HA LEU 28 HA LEU 28 1.373 -1.602 4.202
168 HB2 LEU 28 1HB LEU 28 -0.930 -1.712 3.798
169 HB3 LEU 28 2HB LEU 28 -1.329 -1.166 5.426
170 HG LEU 28 HG LEU 28 -0.517 1.089 4.838
171 HD11 LEU 28 1HD1 LEU 28 0.140 1.683 2.665
172 HD12 LEU 28 2HD1 LEU 28 -0.395 0.145 1.990
173 HD13 LEU 28 3HD1 LEU 28 1.032 0.205 3.026
174 HD21 LEU 28 3HD2 LEU 28 -2.617 -0.016 2.975
175 HD22 LEU 28 1HD2 LEU 28 -2.388 1.684 3.386
176 HD23 LEU 28 2HD2 LEU 28 -2.886 0.536 4.630
177 H GLN 29 H GLN 29 0.111 -0.627 7.385
178 HA GLN 29 HA GLN 29 1.112 1.954 7.459
179 HB2 GLN 29 1HB GLN 29 0.723 -0.031 9.701
180 HB3 GLN 29 2HB GLN 29 1.101 1.667 9.958
181 HG2 GLN 29 1HG GLN 29 -1.388 0.456 8.814
182 HG3 GLN 29 2HG GLN 29 -1.214 1.511 10.216
183 HE21 GLN 29 1HE2 GLN 29 -1.003 1.387 6.709
184 HE22 GLN 29 2HE2 GLN 29 -1.338 3.061 6.444
185 H GLU 30 H GLU 30 2.665 -1.030 8.628
186 HA GLU 30 HA GLU 30 5.036 0.097 9.543
187 HB2 GLU 30 1HB GLU 30 4.470 -2.203 10.032
188 HB3 GLU 30 2HB GLU 30 4.537 -2.623 8.326
189 HG2 GLU 30 1HG GLU 30 6.882 -2.379 8.257
190 HG3 GLU 30 2HG GLU 30 6.918 -1.586 9.831
191 H HIS 31 H HIS 31 3.884 -0.224 6.352
192 HA HIS 31 HA HIS 31 6.544 -0.019 5.166
193 HB2 HIS 31 1HB HIS 31 5.286 -1.467 3.869
194 HB3 HIS 31 2HB HIS 31 3.797 -0.558 4.109
195 HD1 HIS 31 HD1 HIS 31 6.810 -0.762 1.931
196 HD2 HIS 31 HD2 HIS 31 3.422 1.606 2.344
197 HE1 HIS 31 HE1 HIS 31 6.693 0.616 -0.169
198 H GLN 32 H GLN 32 3.456 1.762 5.039
199 HA GLN 32 HA GLN 32 4.062 3.926 3.566
200 HB2 GLN 32 1HB GLN 32 2.545 3.780 6.161
201 HB3 GLN 32 2HB GLN 32 2.667 5.276 5.246
202 HG2 GLN 32 1HG GLN 32 1.726 4.010 3.281
203 HG3 GLN 32 2HG GLN 32 1.381 2.697 4.405
204 HE21 GLN 32 1HE2 GLN 32 -0.733 3.576 3.182
205 HE22 GLN 32 2HE2 GLN 32 -1.700 4.609 4.173
206 H ARG 33 H ARG 33 5.452 3.131 6.638
207 HA ARG 33 HA ARG 33 6.399 5.551 7.549
208 HB2 ARG 33 1HB ARG 33 8.115 3.081 7.602
209 HB3 ARG 33 2HB ARG 33 7.982 4.351 8.811
210 HG2 ARG 33 1HG ARG 33 5.502 3.513 8.963
211 HG3 ARG 33 2HG ARG 33 6.190 2.037 8.283
212 HD2 ARG 33 1HD ARG 33 7.432 1.593 10.147
213 HD3 ARG 33 2HD ARG 33 7.592 3.295 10.578
214 HE ARG 33 HE ARG 33 5.488 1.489 11.368
215 HH11 ARG 33 1HH1 ARG 33 6.441 4.812 10.959
216 HH12 ARG 33 2HH1 ARG 33 5.278 5.421 12.090
217 HH21 ARG 33 1HH2 ARG 33 3.953 2.278 12.860
218 HH22 ARG 33 2HH2 ARG 33 3.864 3.979 13.171
219 H ILE 34 H ILE 34 7.932 3.376 5.191
220 HA ILE 34 HA ILE 34 10.297 4.656 4.725
221 HB ILE 34 HB ILE 34 10.298 3.754 2.490
222 HG12 ILE 34 1HG1 ILE 34 7.467 2.834 2.700
223 HG13 ILE 34 2HG1 ILE 34 7.765 4.506 2.237
224 HG21 ILE 34 1HG2 ILE 34 10.737 1.910 3.688
225 HG22 ILE 34 2HG2 ILE 34 9.378 2.178 4.779
226 HG23 ILE 34 3HG2 ILE 34 9.113 1.412 3.213
227 HD11 ILE 34 3HD1 ILE 34 9.485 3.046 0.638
228 HD12 ILE 34 1HD1 ILE 34 8.007 2.085 0.685
229 HD13 ILE 34 2HD1 ILE 34 7.949 3.767 0.158
230 H HIS 35 H HIS 35 7.122 5.780 3.959
231 HA HIS 35 HA HIS 35 8.060 7.817 2.119
232 HB2 HIS 35 1HB HIS 35 5.324 7.218 3.256
233 HB3 HIS 35 2HB HIS 35 5.651 8.521 2.117
234 HD1 HIS 35 HD1 HIS 35 6.150 7.857 -0.334
235 HD2 HIS 35 HD2 HIS 35 5.287 4.648 2.158
236 HE1 HIS 35 HE1 HIS 35 5.745 5.906 -1.867
237 H THR 36 H THR 36 6.427 7.761 5.286
238 HA THR 36 HA THR 36 6.195 10.322 5.979
239 HB THR 36 HB THR 36 6.635 9.786 8.284
240 HG1 THR 36 HG1 THR 36 7.536 7.469 8.534
241 HG21 THR 36 3HG2 THR 36 4.632 8.774 7.219
242 HG22 THR 36 1HG2 THR 36 5.242 7.835 8.581
243 HG23 THR 36 2HG2 THR 36 5.567 7.307 6.930
244 H GLY 37 H GLY 37 9.293 8.572 6.271
245 HA2 GLY 37 1HA GLY 37 10.642 11.203 6.238
246 HA3 GLY 37 2HA GLY 37 11.237 9.823 7.150
247 H GLU 38 H GLU 38 10.679 11.068 3.896
248 HA GLU 38 HA GLU 38 12.798 9.257 2.938
249 HB2 GLU 38 1HB GLU 38 10.741 8.540 1.943
250 HB3 GLU 38 2HB GLU 38 10.301 10.190 1.524
251 HG2 GLU 38 1HG GLU 38 11.027 9.481 -0.500
252 HG3 GLU 38 2HG GLU 38 12.556 10.064 0.155
253 H LYS 39 H LYS 39 14.545 10.225 2.155
254 HA LYS 39 HA LYS 39 15.174 12.844 2.290
255 HB2 LYS 39 1HB LYS 39 16.945 12.460 0.714
256 HB3 LYS 39 2HB LYS 39 16.728 10.992 1.658
257 HG2 LYS 39 1HG LYS 39 15.492 9.976 -0.169
258 HG3 LYS 39 2HG LYS 39 15.647 11.458 -1.114
259 HD2 LYS 39 1HD LYS 39 17.991 9.852 -0.104
260 HD3 LYS 39 2HD LYS 39 17.285 9.660 -1.711
261 HE2 LYS 39 1HE LYS 39 17.721 12.083 -2.111
262 HE3 LYS 39 2HE LYS 39 18.573 12.136 -0.568
263 HZ1 LYS 39 3HZ LYS 39 20.020 11.829 -2.553
264 HZ2 LYS 39 1HZ LYS 39 19.316 10.308 -2.782
265 HZ3 LYS 39 2HZ LYS 39 20.197 10.628 -1.375
266 HA PRO 40 HA PRO 40 12.844 15.115 -0.665
267 HB2 PRO 40 1HB PRO 40 14.561 17.158 -1.164
268 HB3 PRO 40 2HB PRO 40 13.659 17.009 0.349
269 HG2 PRO 40 1HG PRO 40 16.497 16.265 -0.247
270 HG3 PRO 40 2HG PRO 40 15.831 17.086 1.176
271 HD2 PRO 40 1HD PRO 40 16.448 14.450 1.172
272 HD3 PRO 40 2HD PRO 40 15.112 15.117 2.133
273 H SER 41 H SER 41 12.828 15.846 -2.887
274 HA SER 41 HA SER 41 14.386 14.106 -4.594
275 HB2 SER 41 1HB SER 41 12.056 15.953 -5.011
276 HB3 SER 41 2HB SER 41 12.970 15.361 -6.398
277 HG SER 41 HG SER 41 11.558 13.778 -6.171
278 H GLY 42 H GLY 42 16.426 15.225 -3.950
279 HA2 GLY 42 1HA GLY 42 18.219 16.364 -4.923
280 HA3 GLY 42 2HA GLY 42 17.088 17.190 -5.985
281 HA PRO 43 HA PRO 43 16.933 19.575 -1.780
282 HB2 PRO 43 1HB PRO 43 18.770 18.867 0.090
283 HB3 PRO 43 2HB PRO 43 17.165 18.132 -0.007
284 HG2 PRO 43 1HG PRO 43 19.786 17.100 -1.021
285 HG3 PRO 43 2HG PRO 43 18.494 16.230 -0.174
286 HD2 PRO 43 1HD PRO 43 18.821 16.101 -2.859
287 HD3 PRO 43 2HD PRO 43 17.226 15.999 -2.086
288 H SER 44 H SER 44 18.035 21.478 -1.321
289 HA SER 44 HA SER 44 20.361 21.975 -2.973
290 HB2 SER 44 1HB SER 44 20.040 24.330 -2.330
291 HB3 SER 44 2HB SER 44 18.536 23.620 -2.916
292 HG SER 44 HG SER 44 17.676 23.941 -1.028
293 H SER 45 H SER 45 22.335 22.847 -2.212
294 HA SER 45 HA SER 45 24.156 22.928 -0.852
295 HB2 SER 45 1HB SER 45 22.069 23.235 1.320
296 HB3 SER 45 2HB SER 45 23.793 23.550 1.513
297 HG SER 45 HG SER 45 21.847 25.022 0.166
298 H GLY 46 H GLY 46 23.605 20.437 -1.634
299 HA2 GLY 46 1HA GLY 46 24.429 18.866 0.691
300 HA3 GLY 46 2HA GLY 46 22.982 18.342 -0.158
Start of MODEL 6
1 H1 GLY 1 H GLY 1 0.622 -5.785 -28.411
2 HA2 GLY 1 1HA GLY 1 -0.049 -6.851 -26.475
3 HA3 GLY 1 2HA GLY 1 1.638 -6.630 -26.034
4 H SER 2 H SER 2 -1.278 -6.325 -24.797
5 HA SER 2 HA SER 2 -0.518 -4.002 -23.163
6 HB2 SER 2 1HB SER 2 -3.344 -4.595 -24.069
7 HB3 SER 2 2HB SER 2 -2.807 -3.211 -23.118
8 HG SER 2 HG SER 2 -3.099 -2.941 -25.496
9 H SER 3 H SER 3 0.201 -5.318 -21.498
10 HA SER 3 HA SER 3 -1.546 -7.350 -20.398
11 HB2 SER 3 1HB SER 3 0.911 -7.689 -20.493
12 HB3 SER 3 2HB SER 3 1.120 -6.343 -19.373
13 HG SER 3 HG SER 3 -0.193 -8.809 -18.886
14 H GLY 4 H GLY 4 -3.319 -5.998 -19.786
15 HA2 GLY 4 1HA GLY 4 -3.160 -5.121 -17.074
16 HA3 GLY 4 2HA GLY 4 -3.263 -3.759 -18.180
17 H SER 5 H SER 5 -5.090 -5.369 -16.160
18 HA SER 5 HA SER 5 -7.536 -4.577 -17.309
19 HB2 SER 5 1HB SER 5 -7.259 -6.463 -18.804
20 HB3 SER 5 2HB SER 5 -6.925 -7.539 -17.448
21 HG SER 5 HG SER 5 -9.034 -7.856 -17.841
22 H SER 6 H SER 6 -9.099 -4.474 -15.778
23 HA SER 6 HA SER 6 -8.491 -4.648 -13.095
24 HB2 SER 6 1HB SER 6 -10.446 -3.434 -14.073
25 HB3 SER 6 2HB SER 6 -11.257 -4.987 -14.277
26 HG SER 6 HG SER 6 -11.474 -3.551 -12.213
27 H GLY 7 H GLY 7 -8.005 -6.335 -11.867
28 HA2 GLY 7 1HA GLY 7 -9.666 -8.589 -11.571
29 HA3 GLY 7 2HA GLY 7 -8.326 -9.014 -12.626
30 H THR 8 H THR 8 -6.468 -9.636 -11.721
31 HA THR 8 HA THR 8 -6.153 -10.380 -9.139
32 HB THR 8 HB THR 8 -4.534 -10.884 -10.958
33 HG1 THR 8 HG1 THR 8 -2.617 -10.389 -9.430
34 HG21 THR 8 3HG2 THR 8 -4.278 -8.626 -11.860
35 HG22 THR 8 1HG2 THR 8 -2.715 -9.299 -11.402
36 HG23 THR 8 2HG2 THR 8 -3.500 -8.108 -10.365
37 H GLY 9 H GLY 9 -5.800 -9.460 -7.205
38 HA2 GLY 9 1HA GLY 9 -4.575 -7.687 -5.975
39 HA3 GLY 9 2HA GLY 9 -5.203 -6.564 -7.172
40 H GLU 10 H GLU 10 -6.285 -8.900 -4.718
41 HA GLU 10 HA GLU 10 -8.692 -7.261 -4.321
42 HB2 GLU 10 1HB GLU 10 -8.656 -9.873 -4.767
43 HB3 GLU 10 2HB GLU 10 -8.360 -9.933 -3.035
44 HG2 GLU 10 1HG GLU 10 -10.438 -9.162 -2.508
45 HG3 GLU 10 2HG GLU 10 -10.605 -8.255 -4.010
46 H LYS 11 H LYS 11 -5.752 -7.181 -3.196
47 HA LYS 11 HA LYS 11 -5.762 -7.591 -0.462
48 HB2 LYS 11 1HB LYS 11 -4.317 -5.616 -2.205
49 HB3 LYS 11 2HB LYS 11 -4.094 -5.606 -0.461
50 HG2 LYS 11 1HG LYS 11 -2.331 -6.888 -1.365
51 HG3 LYS 11 2HG LYS 11 -3.459 -8.032 -0.634
52 HD2 LYS 11 1HD LYS 11 -4.199 -8.812 -2.681
53 HD3 LYS 11 2HD LYS 11 -3.716 -7.342 -3.531
54 HE2 LYS 11 1HE LYS 11 -2.108 -8.842 -4.230
55 HE3 LYS 11 2HE LYS 11 -1.309 -8.070 -2.861
56 HZ1 LYS 11 3HZ LYS 11 -1.454 -10.691 -3.146
57 HZ2 LYS 11 1HZ LYS 11 -2.886 -10.447 -2.279
58 HZ3 LYS 11 2HZ LYS 11 -1.408 -9.943 -1.630
59 HA PRO 12 HA PRO 12 -8.813 -4.661 0.901
60 HB2 PRO 12 1HB PRO 12 -8.427 -5.045 3.560
61 HB3 PRO 12 2HB PRO 12 -9.313 -6.188 2.544
62 HG2 PRO 12 1HG PRO 12 -6.474 -6.297 3.488
63 HG3 PRO 12 2HG PRO 12 -7.678 -7.597 3.409
64 HD2 PRO 12 1HD PRO 12 -5.738 -7.293 1.544
65 HD3 PRO 12 2HD PRO 12 -7.345 -7.940 1.154
66 H TYR 13 H TYR 13 -5.537 -4.325 0.934
67 HA TYR 13 HA TYR 13 -5.739 -1.599 1.973
68 HB2 TYR 13 1HB TYR 13 -3.778 -3.684 2.919
69 HB3 TYR 13 2HB TYR 13 -3.468 -1.960 3.094
70 HD1 TYR 13 HD2 TYR 13 -4.825 -0.601 4.616
71 HD2 TYR 13 HD1 TYR 13 -5.423 -4.800 4.284
72 HE1 TYR 13 HE2 TYR 13 -6.114 -0.577 6.711
73 HE2 TYR 13 HE1 TYR 13 -6.714 -4.788 6.377
74 HH TYR 13 HH TYR 13 -7.089 -1.830 8.287
75 H ASN 14 H ASN 14 -4.188 -0.154 1.135
76 HA ASN 14 HA ASN 14 -2.203 -1.056 -0.741
77 HB2 ASN 14 1HB ASN 14 -4.356 0.719 -1.874
78 HB3 ASN 14 2HB ASN 14 -3.105 -0.173 -2.734
79 HD21 ASN 14 1HD2 ASN 14 -3.335 -2.406 -3.017
80 HD22 ASN 14 2HD2 ASN 14 -4.872 -3.182 -2.869
81 H CYS 15 H CYS 15 -0.676 0.511 -1.209
82 HA CYS 15 HA CYS 15 -0.701 2.808 0.556
83 HB2 CYS 15 1HB CYS 15 1.307 1.253 0.064
84 HB3 CYS 15 2HB CYS 15 1.467 2.170 -1.430
85 H GLU 16 H GLU 16 -1.491 4.708 -0.030
86 HA GLU 16 HA GLU 16 -1.969 5.292 -2.833
87 HB2 GLU 16 1HB GLU 16 -2.863 6.425 -0.232
88 HB3 GLU 16 2HB GLU 16 -2.838 7.507 -1.617
89 HG2 GLU 16 1HG GLU 16 -5.008 6.644 -1.547
90 HG3 GLU 16 2HG GLU 16 -4.198 5.753 -2.835
91 H GLU 17 H GLU 17 0.768 5.282 -1.487
92 HA GLU 17 HA GLU 17 1.563 8.027 -2.201
93 HB2 GLU 17 1HB GLU 17 2.689 6.055 -0.235
94 HB3 GLU 17 2HB GLU 17 3.687 7.354 -0.873
95 HG2 GLU 17 1HG GLU 17 1.772 8.899 -0.109
96 HG3 GLU 17 2HG GLU 17 1.263 7.523 0.867
97 H CYS 18 H CYS 18 2.323 4.609 -2.587
98 HA CYS 18 HA CYS 18 4.083 5.325 -4.841
99 HB2 CYS 18 1HB CYS 18 5.180 3.077 -4.397
100 HB3 CYS 18 2HB CYS 18 5.475 4.329 -3.195
101 H GLY 19 H GLY 19 1.919 2.788 -3.587
102 HA2 GLY 19 1HA GLY 19 0.034 2.242 -5.140
103 HA3 GLY 19 2HA GLY 19 1.263 2.123 -6.391
104 H LYS 20 H LYS 20 1.365 0.919 -3.060
105 HA LYS 20 HA LYS 20 1.822 -1.774 -4.148
106 HB2 LYS 20 1HB LYS 20 3.608 -0.755 -2.721
107 HB3 LYS 20 2HB LYS 20 2.468 -0.742 -1.381
108 HG2 LYS 20 1HG LYS 20 2.315 -3.168 -1.466
109 HG3 LYS 20 2HG LYS 20 3.423 -3.199 -2.840
110 HD2 LYS 20 1HD LYS 20 5.220 -2.383 -1.509
111 HD3 LYS 20 2HD LYS 20 4.139 -2.013 -0.164
112 HE2 LYS 20 1HE LYS 20 4.996 -3.996 0.572
113 HE3 LYS 20 2HE LYS 20 3.616 -4.598 -0.345
114 HZ1 LYS 20 3HZ LYS 20 5.561 -4.458 -2.212
115 HZ2 LYS 20 1HZ LYS 20 5.125 -5.859 -1.371
116 HZ3 LYS 20 2HZ LYS 20 6.431 -4.926 -0.839
117 H ALA 21 H ALA 21 0.993 -3.593 -2.819
118 HA ALA 21 HA ALA 21 -1.631 -2.921 -1.654
119 HB1 ALA 21 3HB ALA 21 -1.136 -5.632 -2.762
120 HB2 ALA 21 1HB ALA 21 -2.622 -4.683 -2.709
121 HB3 ALA 21 2HB ALA 21 -1.373 -4.301 -3.895
122 H PHE 22 H PHE 22 -2.302 -4.016 0.192
123 HA PHE 22 HA PHE 22 -0.372 -5.815 1.468
124 HB2 PHE 22 1HB PHE 22 -1.553 -3.329 2.714
125 HB3 PHE 22 2HB PHE 22 -0.770 -4.604 3.643
126 HD1 PHE 22 HD2 PHE 22 -0.262 -1.901 1.221
127 HD2 PHE 22 HD1 PHE 22 1.611 -4.879 3.618
128 HE1 PHE 22 HE2 PHE 22 1.922 -0.839 0.828
129 HE2 PHE 22 HE1 PHE 22 3.798 -3.820 3.229
130 HZ PHE 22 HZ PHE 22 3.956 -1.799 1.832
131 H ILE 23 H ILE 23 -1.276 -7.134 3.154
132 HA ILE 23 HA ILE 23 -4.083 -7.741 2.653
133 HB ILE 23 HB ILE 23 -2.092 -9.265 4.337
134 HG12 ILE 23 1HG1 ILE 23 -1.463 -9.079 1.921
135 HG13 ILE 23 2HG1 ILE 23 -1.781 -10.728 2.447
136 HG21 ILE 23 1HG2 ILE 23 -3.827 -10.490 4.975
137 HG22 ILE 23 2HG2 ILE 23 -4.911 -9.496 4.004
138 HG23 ILE 23 3HG2 ILE 23 -4.136 -10.909 3.290
139 HD11 ILE 23 3HD1 ILE 23 -3.913 -9.085 1.145
140 HD12 ILE 23 1HD1 ILE 23 -2.714 -9.959 0.192
141 HD13 ILE 23 2HD1 ILE 23 -3.786 -10.839 1.282
142 H HIS 24 H HIS 24 -1.941 -6.966 5.371
143 HA HIS 24 HA HIS 24 -4.333 -6.417 7.001
144 HB2 HIS 24 1HB HIS 24 -1.566 -7.301 7.825
145 HB3 HIS 24 2HB HIS 24 -2.769 -6.711 8.968
146 HD2 HIS 24 HD2 HIS 24 -2.263 -9.795 6.576
147 HE1 HIS 24 HE1 HIS 24 -5.177 -10.758 9.505
148 HE2 HIS 24 HE2 HIS 24 -3.729 -11.640 7.642
149 H ASP 25 H ASP 25 -4.341 -4.555 8.321
150 HA ASP 25 HA ASP 25 -3.348 -2.231 7.147
151 HB2 ASP 25 1HB ASP 25 -4.337 -1.072 8.898
152 HB3 ASP 25 2HB ASP 25 -5.239 -2.586 8.915
153 H SER 26 H SER 26 -2.169 -3.972 10.017
154 HA SER 26 HA SER 26 -0.106 -2.330 10.777
155 HB2 SER 26 1HB SER 26 0.869 -4.212 11.874
156 HB3 SER 26 2HB SER 26 -0.875 -4.478 11.893
157 HG SER 26 HG SER 26 1.101 -5.923 10.678
158 H GLN 27 H GLN 27 -0.063 -4.822 8.258
159 HA GLN 27 HA GLN 27 2.647 -4.680 7.601
160 HB2 GLN 27 1HB GLN 27 0.319 -5.269 5.765
161 HB3 GLN 27 2HB GLN 27 2.004 -5.660 5.446
162 HG2 GLN 27 1HG GLN 27 2.034 -7.192 7.320
163 HG3 GLN 27 2HG GLN 27 0.373 -6.761 7.723
164 HE21 GLN 27 1HE2 GLN 27 2.194 -7.768 4.843
165 HE22 GLN 27 2HE2 GLN 27 1.049 -8.954 4.326
166 H LEU 28 H LEU 28 -0.099 -3.042 6.020
167 HA LEU 28 HA LEU 28 1.404 -1.515 4.231
168 HB2 LEU 28 1HB LEU 28 -0.909 -1.674 3.852
169 HB3 LEU 28 2HB LEU 28 -1.296 -1.118 5.479
170 HG LEU 28 HG LEU 28 -0.504 1.139 4.864
171 HD11 LEU 28 1HD1 LEU 28 -0.121 -0.142 2.167
172 HD12 LEU 28 2HD1 LEU 28 1.085 0.679 3.158
173 HD13 LEU 28 3HD1 LEU 28 -0.222 1.601 2.416
174 HD21 LEU 28 3HD2 LEU 28 -2.573 0.126 2.924
175 HD22 LEU 28 1HD2 LEU 28 -2.424 1.750 3.595
176 HD23 LEU 28 2HD2 LEU 28 -2.889 0.405 4.637
177 H GLN 29 H GLN 29 0.111 -0.599 7.422
178 HA GLN 29 HA GLN 29 1.101 1.987 7.535
179 HB2 GLN 29 1HB GLN 29 0.640 -0.033 9.727
180 HB3 GLN 29 2HB GLN 29 1.081 1.639 10.045
181 HG2 GLN 29 1HG GLN 29 -1.436 0.568 8.828
182 HG3 GLN 29 2HG GLN 29 -1.241 1.567 10.267
183 HE21 GLN 29 1HE2 GLN 29 -1.242 1.521 6.783
184 HE22 GLN 29 2HE2 GLN 29 -1.406 3.226 6.562
185 H GLU 30 H GLU 30 2.671 -1.047 8.482
186 HA GLU 30 HA GLU 30 5.033 0.115 9.494
187 HB2 GLU 30 1HB GLU 30 4.372 -2.201 9.974
188 HB3 GLU 30 2HB GLU 30 4.617 -2.625 8.286
189 HG2 GLU 30 1HG GLU 30 6.947 -2.352 8.446
190 HG3 GLU 30 2HG GLU 30 6.820 -1.520 9.995
191 H HIS 31 H HIS 31 3.852 0.051 6.377
192 HA HIS 31 HA HIS 31 6.526 0.131 5.165
193 HB2 HIS 31 1HB HIS 31 5.320 -1.335 3.856
194 HB3 HIS 31 2HB HIS 31 3.797 -0.492 4.126
195 HD1 HIS 31 HD1 HIS 31 6.881 -0.396 1.990
196 HD2 HIS 31 HD2 HIS 31 3.196 1.499 2.284
197 HE1 HIS 31 HE1 HIS 31 6.643 0.943 -0.125
198 H GLN 32 H GLN 32 3.453 1.914 5.241
199 HA GLN 32 HA GLN 32 4.071 4.072 3.669
200 HB2 GLN 32 1HB GLN 32 2.370 3.762 6.111
201 HB3 GLN 32 2HB GLN 32 2.616 5.367 5.434
202 HG2 GLN 32 1HG GLN 32 1.845 4.391 3.224
203 HG3 GLN 32 2HG GLN 32 1.319 2.987 4.151
204 HE21 GLN 32 1HE2 GLN 32 -0.820 3.099 4.181
205 HE22 GLN 32 2HE2 GLN 32 -1.748 4.472 4.667
206 H ARG 33 H ARG 33 5.486 3.199 6.661
207 HA ARG 33 HA ARG 33 6.327 5.724 7.584
208 HB2 ARG 33 1HB ARG 33 8.140 4.345 8.750
209 HB3 ARG 33 2HB ARG 33 6.467 3.965 9.135
210 HG2 ARG 33 1HG ARG 33 6.522 1.954 8.017
211 HG3 ARG 33 2HG ARG 33 7.856 2.452 6.974
212 HD2 ARG 33 1HD ARG 33 8.091 1.942 9.936
213 HD3 ARG 33 2HD ARG 33 8.496 0.769 8.685
214 HE ARG 33 HE ARG 33 10.033 3.087 9.467
215 HH11 ARG 33 1HH1 ARG 33 9.456 0.675 7.024
216 HH12 ARG 33 2HH1 ARG 33 11.025 0.837 6.307
217 HH21 ARG 33 1HH2 ARG 33 12.102 3.310 8.532
218 HH22 ARG 33 2HH2 ARG 33 12.529 2.336 7.167
219 H ILE 34 H ILE 34 7.721 3.447 5.292
220 HA ILE 34 HA ILE 34 10.271 4.519 5.027
221 HB ILE 34 HB ILE 34 10.468 3.368 2.995
222 HG12 ILE 34 1HG1 ILE 34 7.453 3.450 2.747
223 HG13 ILE 34 2HG1 ILE 34 8.578 4.460 1.846
224 HG21 ILE 34 1HG2 ILE 34 9.326 2.136 5.194
225 HG22 ILE 34 2HG2 ILE 34 8.372 1.550 3.833
226 HG23 ILE 34 3HG2 ILE 34 10.122 1.335 3.840
227 HD11 ILE 34 3HD1 ILE 34 8.484 1.457 1.700
228 HD12 ILE 34 1HD1 ILE 34 7.710 2.550 0.553
229 HD13 ILE 34 2HD1 ILE 34 9.467 2.539 0.713
230 H HIS 35 H HIS 35 7.216 5.701 3.873
231 HA HIS 35 HA HIS 35 8.328 7.535 1.962
232 HB2 HIS 35 1HB HIS 35 5.575 7.229 3.161
233 HB3 HIS 35 2HB HIS 35 5.974 8.494 2.002
234 HD1 HIS 35 HD1 HIS 35 7.081 7.431 -0.332
235 HD2 HIS 35 HD2 HIS 35 4.629 4.997 1.977
236 HE1 HIS 35 HE1 HIS 35 6.332 5.583 -1.865
237 H THR 36 H THR 36 7.632 7.568 5.350
238 HA THR 36 HA THR 36 7.666 10.444 5.592
239 HB THR 36 HB THR 36 7.478 10.102 7.973
240 HG1 THR 36 HG1 THR 36 8.920 8.349 8.209
241 HG21 THR 36 3HG2 THR 36 5.500 9.642 6.418
242 HG22 THR 36 1HG2 THR 36 5.388 9.025 8.066
243 HG23 THR 36 2HG2 THR 36 5.796 7.934 6.743
244 H GLY 37 H GLY 37 9.813 10.479 4.399
245 HA2 GLY 37 1HA GLY 37 11.978 10.370 6.401
246 HA3 GLY 37 2HA GLY 37 12.227 9.769 4.769
247 H GLU 38 H GLU 38 13.998 11.547 5.427
248 HA GLU 38 HA GLU 38 13.041 14.180 4.551
249 HB2 GLU 38 1HB GLU 38 15.426 13.257 6.113
250 HB3 GLU 38 2HB GLU 38 15.479 14.798 5.270
251 HG2 GLU 38 1HG GLU 38 14.740 15.502 7.293
252 HG3 GLU 38 2HG GLU 38 13.190 15.170 6.521
253 H LYS 39 H LYS 39 12.901 13.765 2.334
254 HA LYS 39 HA LYS 39 15.200 12.788 0.885
255 HB2 LYS 39 1HB LYS 39 12.456 13.729 0.091
256 HB3 LYS 39 2HB LYS 39 13.701 13.445 -1.118
257 HG2 LYS 39 1HG LYS 39 12.463 11.464 -1.039
258 HG3 LYS 39 2HG LYS 39 13.928 11.120 -0.116
259 HD2 LYS 39 1HD LYS 39 12.161 10.238 1.167
260 HD3 LYS 39 2HD LYS 39 12.589 11.761 1.951
261 HE2 LYS 39 1HE LYS 39 10.313 11.971 1.887
262 HE3 LYS 39 2HE LYS 39 10.731 12.715 0.344
263 HZ1 LYS 39 3HZ LYS 39 10.428 10.339 -0.562
264 HZ2 LYS 39 1HZ LYS 39 9.052 11.260 -0.218
265 HZ3 LYS 39 2HZ LYS 39 9.559 10.062 0.863
266 HA PRO 40 HA PRO 40 17.142 16.642 0.055
267 HB2 PRO 40 1HB PRO 40 18.295 16.093 -2.340
268 HB3 PRO 40 2HB PRO 40 18.884 15.423 -0.815
269 HG2 PRO 40 1HG PRO 40 17.135 14.159 -2.890
270 HG3 PRO 40 2HG PRO 40 18.500 13.459 -1.999
271 HD2 PRO 40 1HD PRO 40 15.921 12.981 -1.325
272 HD3 PRO 40 2HD PRO 40 17.226 13.046 -0.123
273 H SER 41 H SER 41 17.613 17.863 -2.335
274 HA SER 41 HA SER 41 15.192 19.187 -2.857
275 HB2 SER 41 1HB SER 41 16.545 20.019 -4.937
276 HB3 SER 41 2HB SER 41 17.074 20.478 -3.319
277 HG SER 41 HG SER 41 18.149 18.509 -5.036
278 H GLY 42 H GLY 42 16.193 16.165 -3.853
279 HA2 GLY 42 1HA GLY 42 14.061 15.301 -5.186
280 HA3 GLY 42 2HA GLY 42 14.858 16.238 -6.442
281 HA PRO 43 HA PRO 43 17.622 12.400 -5.271
282 HB2 PRO 43 1HB PRO 43 16.214 10.307 -4.268
283 HB3 PRO 43 2HB PRO 43 16.972 11.533 -3.245
284 HG2 PRO 43 1HG PRO 43 14.118 11.294 -4.115
285 HG3 PRO 43 2HG PRO 43 14.770 11.704 -2.518
286 HD2 PRO 43 1HD PRO 43 13.835 13.578 -4.235
287 HD3 PRO 43 2HD PRO 43 15.166 13.898 -3.104
288 H SER 44 H SER 44 14.703 12.729 -6.883
289 HA SER 44 HA SER 44 13.638 11.531 -8.553
290 HB2 SER 44 1HB SER 44 16.502 11.920 -9.380
291 HB3 SER 44 2HB SER 44 15.354 11.137 -10.466
292 HG SER 44 HG SER 44 15.522 13.446 -10.738
293 H SER 45 H SER 45 14.279 9.792 -6.433
294 HA SER 45 HA SER 45 14.189 7.286 -7.803
295 HB2 SER 45 1HB SER 45 16.605 7.573 -7.852
296 HB3 SER 45 2HB SER 45 16.630 7.909 -6.121
297 HG SER 45 HG SER 45 16.646 5.846 -5.772
298 H GLY 46 H GLY 46 12.996 5.894 -6.651
299 HA2 GLY 46 1HA GLY 46 12.832 4.932 -4.286
300 HA3 GLY 46 2HA GLY 46 12.462 6.590 -3.836
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -4.691 -4.249 -25.370
2 HA2 GLY 1 1HA GLY 1 -4.365 -5.979 -23.891
3 HA3 GLY 1 2HA GLY 1 -3.462 -4.855 -22.887
4 H SER 2 H SER 2 -4.444 -3.884 -21.151
5 HA SER 2 HA SER 2 -5.827 -4.061 -19.307
6 HB2 SER 2 1HB SER 2 -6.690 -2.228 -20.957
7 HB3 SER 2 2HB SER 2 -8.033 -3.342 -21.213
8 HG SER 2 HG SER 2 -7.268 -1.981 -18.873
9 H SER 3 H SER 3 -5.480 -6.602 -20.360
10 HA SER 3 HA SER 3 -7.689 -8.067 -21.086
11 HB2 SER 3 1HB SER 3 -5.186 -8.767 -20.653
12 HB3 SER 3 2HB SER 3 -5.805 -9.231 -19.069
13 HG SER 3 HG SER 3 -5.844 -10.774 -21.025
14 H GLY 4 H GLY 4 -6.513 -7.726 -17.728
15 HA2 GLY 4 1HA GLY 4 -7.993 -7.110 -15.933
16 HA3 GLY 4 2HA GLY 4 -9.321 -7.819 -16.841
17 H SER 5 H SER 5 -7.454 -8.251 -14.207
18 HA SER 5 HA SER 5 -7.106 -11.120 -14.399
19 HB2 SER 5 1HB SER 5 -6.558 -9.124 -12.198
20 HB3 SER 5 2HB SER 5 -6.311 -10.859 -12.003
21 HG SER 5 HG SER 5 -5.177 -9.698 -14.253
22 H SER 6 H SER 6 -8.118 -12.646 -13.034
23 HA SER 6 HA SER 6 -10.776 -12.744 -12.874
24 HB2 SER 6 1HB SER 6 -8.867 -13.744 -10.750
25 HB3 SER 6 2HB SER 6 -10.559 -14.226 -10.868
26 HG SER 6 HG SER 6 -8.513 -15.292 -12.113
27 H GLY 7 H GLY 7 -8.749 -11.312 -10.323
28 HA2 GLY 7 1HA GLY 7 -9.232 -9.747 -8.714
29 HA3 GLY 7 2HA GLY 7 -10.564 -9.242 -9.743
30 H THR 8 H THR 8 -9.791 -12.107 -7.761
31 HA THR 8 HA THR 8 -12.567 -12.318 -6.956
32 HB THR 8 HB THR 8 -10.214 -14.004 -6.080
33 HG1 THR 8 HG1 THR 8 -12.120 -14.865 -7.957
34 HG21 THR 8 3HG2 THR 8 -11.736 -14.745 -4.598
35 HG22 THR 8 1HG2 THR 8 -12.451 -15.571 -5.981
36 HG23 THR 8 2HG2 THR 8 -13.082 -14.007 -5.466
37 H GLY 9 H GLY 9 -9.446 -12.091 -5.230
38 HA2 GLY 9 1HA GLY 9 -10.846 -10.563 -3.131
39 HA3 GLY 9 2HA GLY 9 -9.787 -11.899 -2.705
40 H GLU 10 H GLU 10 -9.871 -8.729 -4.268
41 HA GLU 10 HA GLU 10 -7.076 -8.410 -4.495
42 HB2 GLU 10 1HB GLU 10 -8.827 -7.059 -5.694
43 HB3 GLU 10 2HB GLU 10 -9.122 -6.211 -4.182
44 HG2 GLU 10 1HG GLU 10 -7.690 -4.824 -5.403
45 HG3 GLU 10 2HG GLU 10 -6.664 -5.607 -4.202
46 H LYS 11 H LYS 11 -5.693 -6.986 -3.275
47 HA LYS 11 HA LYS 11 -5.693 -7.490 -0.531
48 HB2 LYS 11 1HB LYS 11 -4.184 -5.681 -2.347
49 HB3 LYS 11 2HB LYS 11 -4.097 -5.346 -0.623
50 HG2 LYS 11 1HG LYS 11 -2.270 -6.716 -0.994
51 HG3 LYS 11 2HG LYS 11 -3.492 -7.835 -0.385
52 HD2 LYS 11 1HD LYS 11 -4.065 -8.242 -2.853
53 HD3 LYS 11 2HD LYS 11 -2.522 -7.459 -3.203
54 HE2 LYS 11 1HE LYS 11 -1.817 -9.622 -3.083
55 HE3 LYS 11 2HE LYS 11 -1.658 -9.179 -1.384
56 HZ1 LYS 11 3HZ LYS 11 -3.522 -11.002 -2.655
57 HZ2 LYS 11 1HZ LYS 11 -4.184 -10.015 -1.450
58 HZ3 LYS 11 2HZ LYS 11 -2.877 -11.027 -1.091
59 HA PRO 12 HA PRO 12 -8.753 -4.571 0.836
60 HB2 PRO 12 1HB PRO 12 -8.387 -4.981 3.495
61 HB3 PRO 12 2HB PRO 12 -9.267 -6.113 2.460
62 HG2 PRO 12 1HG PRO 12 -6.435 -6.235 3.424
63 HG3 PRO 12 2HG PRO 12 -7.640 -7.533 3.324
64 HD2 PRO 12 1HD PRO 12 -5.686 -7.213 1.477
65 HD3 PRO 12 2HD PRO 12 -7.290 -7.854 1.068
66 H TYR 13 H TYR 13 -5.476 -4.239 0.897
67 HA TYR 13 HA TYR 13 -5.683 -1.524 1.965
68 HB2 TYR 13 1HB TYR 13 -3.729 -3.622 2.896
69 HB3 TYR 13 2HB TYR 13 -3.416 -1.901 3.091
70 HD1 TYR 13 HD2 TYR 13 -4.777 -0.555 4.622
71 HD2 TYR 13 HD1 TYR 13 -5.382 -4.749 4.242
72 HE1 TYR 13 HE2 TYR 13 -6.075 -0.551 6.711
73 HE2 TYR 13 HE1 TYR 13 -6.683 -4.757 6.329
74 HH TYR 13 HH TYR 13 -7.641 -1.815 7.907
75 H ASN 14 H ASN 14 -4.069 -0.084 1.192
76 HA ASN 14 HA ASN 14 -2.104 -0.967 -0.706
77 HB2 ASN 14 1HB ASN 14 -4.097 0.924 -1.885
78 HB3 ASN 14 2HB ASN 14 -3.009 -0.202 -2.692
79 HD21 ASN 14 1HD2 ASN 14 -3.686 -2.230 -3.140
80 HD22 ASN 14 2HD2 ASN 14 -5.278 -2.813 -2.807
81 H CYS 15 H CYS 15 -0.844 0.861 -1.589
82 HA CYS 15 HA CYS 15 -0.851 3.118 0.301
83 HB2 CYS 15 1HB CYS 15 1.166 1.632 0.308
84 HB3 CYS 15 2HB CYS 15 1.466 2.108 -1.360
85 H GLU 16 H GLU 16 -1.623 4.939 -0.517
86 HA GLU 16 HA GLU 16 -1.937 5.355 -3.324
87 HB2 GLU 16 1HB GLU 16 -2.545 6.902 -0.851
88 HB3 GLU 16 2HB GLU 16 -2.470 7.779 -2.372
89 HG2 GLU 16 1HG GLU 16 -4.231 6.509 -3.302
90 HG3 GLU 16 2HG GLU 16 -4.170 5.336 -1.988
91 H GLU 17 H GLU 17 0.624 5.841 -1.169
92 HA GLU 17 HA GLU 17 1.799 8.139 -2.392
93 HB2 GLU 17 1HB GLU 17 3.155 6.020 -0.717
94 HB3 GLU 17 2HB GLU 17 3.743 7.646 -1.035
95 HG2 GLU 17 1HG GLU 17 1.150 7.117 0.380
96 HG3 GLU 17 2HG GLU 17 2.692 7.233 1.226
97 H CYS 18 H CYS 18 2.471 4.650 -2.565
98 HA CYS 18 HA CYS 18 3.988 5.155 -5.041
99 HB2 CYS 18 1HB CYS 18 5.164 3.010 -4.551
100 HB3 CYS 18 2HB CYS 18 5.448 4.258 -3.342
101 H GLY 19 H GLY 19 1.894 2.777 -3.418
102 HA2 GLY 19 1HA GLY 19 -0.121 2.128 -4.725
103 HA3 GLY 19 2HA GLY 19 0.961 1.946 -6.097
104 H LYS 20 H LYS 20 1.776 0.936 -2.843
105 HA LYS 20 HA LYS 20 2.050 -1.804 -3.810
106 HB2 LYS 20 1HB LYS 20 3.817 -0.462 -2.439
107 HB3 LYS 20 2HB LYS 20 2.817 -0.891 -1.057
108 HG2 LYS 20 1HG LYS 20 3.128 -3.240 -1.508
109 HG3 LYS 20 2HG LYS 20 4.029 -2.867 -2.979
110 HD2 LYS 20 1HD LYS 20 5.738 -1.732 -1.620
111 HD3 LYS 20 2HD LYS 20 4.843 -2.157 -0.159
112 HE2 LYS 20 1HE LYS 20 5.051 -4.585 -1.042
113 HE3 LYS 20 2HE LYS 20 6.343 -3.932 -2.048
114 HZ1 LYS 20 3HZ LYS 20 6.339 -3.407 0.848
115 HZ2 LYS 20 1HZ LYS 20 7.644 -3.462 -0.228
116 HZ3 LYS 20 2HZ LYS 20 6.896 -4.896 0.268
117 H ALA 21 H ALA 21 0.579 -3.310 -3.404
118 HA ALA 21 HA ALA 21 -1.647 -2.737 -1.655
119 HB1 ALA 21 3HB ALA 21 -2.401 -3.808 -3.540
120 HB2 ALA 21 1HB ALA 21 -0.997 -4.872 -3.630
121 HB3 ALA 21 2HB ALA 21 -2.252 -5.167 -2.426
122 H PHE 22 H PHE 22 -2.292 -4.002 0.128
123 HA PHE 22 HA PHE 22 -0.296 -5.843 1.229
124 HB2 PHE 22 1HB PHE 22 -1.450 -3.441 2.650
125 HB3 PHE 22 2HB PHE 22 -0.653 -4.766 3.491
126 HD1 PHE 22 HD2 PHE 22 -0.194 -1.889 1.289
127 HD2 PHE 22 HD1 PHE 22 1.736 -5.092 3.323
128 HE1 PHE 22 HE2 PHE 22 1.985 -0.812 0.910
129 HE2 PHE 22 HE1 PHE 22 3.918 -4.019 2.948
130 HZ PHE 22 HZ PHE 22 4.045 -1.877 1.739
131 H ILE 23 H ILE 23 -1.162 -7.109 3.077
132 HA ILE 23 HA ILE 23 -3.926 -7.862 2.515
133 HB ILE 23 HB ILE 23 -1.874 -9.249 4.245
134 HG12 ILE 23 1HG1 ILE 23 -2.845 -10.137 1.535
135 HG13 ILE 23 2HG1 ILE 23 -1.455 -9.072 1.712
136 HG21 ILE 23 1HG2 ILE 23 -4.548 -10.207 3.232
137 HG22 ILE 23 2HG2 ILE 23 -3.397 -11.151 4.175
138 HG23 ILE 23 3HG2 ILE 23 -4.180 -9.744 4.893
139 HD11 ILE 23 3HD1 ILE 23 -0.177 -10.710 2.740
140 HD12 ILE 23 1HD1 ILE 23 -1.588 -11.677 3.171
141 HD13 ILE 23 2HD1 ILE 23 -1.056 -11.592 1.491
142 H HIS 24 H HIS 24 -1.878 -7.068 5.314
143 HA HIS 24 HA HIS 24 -4.332 -6.455 6.825
144 HB2 HIS 24 1HB HIS 24 -1.628 -7.367 7.823
145 HB3 HIS 24 2HB HIS 24 -2.938 -6.832 8.871
146 HD2 HIS 24 HD2 HIS 24 -1.725 -10.001 7.118
147 HE1 HIS 24 HE1 HIS 24 -5.622 -10.814 8.584
148 HE2 HIS 24 HE2 HIS 24 -3.498 -11.804 7.662
149 H ASP 25 H ASP 25 -4.237 -4.650 8.300
150 HA ASP 25 HA ASP 25 -3.210 -2.317 7.147
151 HB2 ASP 25 1HB ASP 25 -3.666 -1.372 9.535
152 HB3 ASP 25 2HB ASP 25 -5.017 -1.945 8.561
153 H SER 26 H SER 26 -2.139 -3.954 10.132
154 HA SER 26 HA SER 26 0.002 -2.426 10.818
155 HB2 SER 26 1HB SER 26 0.961 -4.379 11.889
156 HB3 SER 26 2HB SER 26 -0.793 -4.440 12.059
157 HG SER 26 HG SER 26 0.634 -5.779 10.008
158 H GLN 27 H GLN 27 -0.179 -4.742 8.190
159 HA GLN 27 HA GLN 27 2.597 -4.775 7.590
160 HB2 GLN 27 1HB GLN 27 0.163 -5.477 5.950
161 HB3 GLN 27 2HB GLN 27 1.809 -5.686 5.367
162 HG2 GLN 27 1HG GLN 27 2.099 -7.041 7.585
163 HG3 GLN 27 2HG GLN 27 0.344 -7.173 7.487
164 HE21 GLN 27 1HE2 GLN 27 0.220 -9.314 7.036
165 HE22 GLN 27 2HE2 GLN 27 0.820 -10.029 5.582
166 H LEU 28 H LEU 28 -0.147 -2.937 6.304
167 HA LEU 28 HA LEU 28 1.366 -1.542 4.345
168 HB2 LEU 28 1HB LEU 28 -0.956 -1.683 3.993
169 HB3 LEU 28 2HB LEU 28 -1.317 -1.082 5.610
170 HG LEU 28 HG LEU 28 -0.419 1.141 4.899
171 HD11 LEU 28 1HD1 LEU 28 0.414 1.541 2.856
172 HD12 LEU 28 2HD1 LEU 28 -0.754 0.487 2.059
173 HD13 LEU 28 3HD1 LEU 28 0.682 -0.202 2.816
174 HD21 LEU 28 3HD2 LEU 28 -2.613 1.475 4.733
175 HD22 LEU 28 1HD2 LEU 28 -2.884 -0.152 4.108
176 HD23 LEU 28 2HD2 LEU 28 -2.450 1.155 3.006
177 H GLN 29 H GLN 29 0.198 -0.651 7.582
178 HA GLN 29 HA GLN 29 1.172 1.955 7.655
179 HB2 GLN 29 1HB GLN 29 1.125 0.127 10.049
180 HB3 GLN 29 2HB GLN 29 0.893 1.870 10.010
181 HG2 GLN 29 1HG GLN 29 -1.007 -0.315 9.403
182 HG3 GLN 29 2HG GLN 29 -1.261 1.210 10.252
183 HE21 GLN 29 1HE2 GLN 29 -0.352 3.016 8.410
184 HE22 GLN 29 2HE2 GLN 29 -1.367 2.984 7.012
185 H GLU 30 H GLU 30 2.765 -1.085 8.536
186 HA GLU 30 HA GLU 30 5.153 0.063 9.498
187 HB2 GLU 30 1HB GLU 30 4.321 -2.333 9.796
188 HB3 GLU 30 2HB GLU 30 4.951 -2.641 8.184
189 HG2 GLU 30 1HG GLU 30 6.636 -3.345 9.633
190 HG3 GLU 30 2HG GLU 30 7.172 -1.771 9.049
191 H HIS 31 H HIS 31 3.892 -0.046 6.391
192 HA HIS 31 HA HIS 31 6.532 0.073 5.117
193 HB2 HIS 31 1HB HIS 31 5.286 -1.373 3.825
194 HB3 HIS 31 2HB HIS 31 3.773 -0.530 4.149
195 HD1 HIS 31 HD1 HIS 31 6.891 -0.217 2.035
196 HD2 HIS 31 HD2 HIS 31 3.023 1.286 2.238
197 HE1 HIS 31 HE1 HIS 31 6.569 1.097 -0.084
198 H GLN 32 H GLN 32 3.508 1.894 5.426
199 HA GLN 32 HA GLN 32 4.101 4.066 3.820
200 HB2 GLN 32 1HB GLN 32 2.479 3.834 6.345
201 HB3 GLN 32 2HB GLN 32 2.614 5.354 5.470
202 HG2 GLN 32 1HG GLN 32 1.662 4.314 3.488
203 HG3 GLN 32 2HG GLN 32 1.553 2.774 4.339
204 HE21 GLN 32 1HE2 GLN 32 -0.726 3.032 3.663
205 HE22 GLN 32 2HE2 GLN 32 -1.789 3.899 4.713
206 H ARG 33 H ARG 33 5.425 3.185 6.883
207 HA ARG 33 HA ARG 33 6.307 5.664 7.823
208 HB2 ARG 33 1HB ARG 33 8.147 4.252 8.926
209 HB3 ARG 33 2HB ARG 33 6.477 3.883 9.335
210 HG2 ARG 33 1HG ARG 33 6.494 1.887 8.206
211 HG3 ARG 33 2HG ARG 33 7.779 2.397 7.109
212 HD2 ARG 33 1HD ARG 33 8.176 1.881 10.051
213 HD3 ARG 33 2HD ARG 33 8.460 0.678 8.793
214 HE ARG 33 HE ARG 33 9.917 2.954 8.125
215 HH11 ARG 33 1HH1 ARG 33 9.842 0.536 10.628
216 HH12 ARG 33 2HH1 ARG 33 11.539 0.640 10.961
217 HH21 ARG 33 1HH2 ARG 33 12.153 3.101 8.554
218 HH22 ARG 33 2HH2 ARG 33 12.852 2.101 9.782
219 H ILE 34 H ILE 34 7.498 3.641 5.268
220 HA ILE 34 HA ILE 34 10.116 4.673 5.072
221 HB ILE 34 HB ILE 34 10.293 3.583 3.014
222 HG12 ILE 34 1HG1 ILE 34 7.278 3.693 2.769
223 HG13 ILE 34 2HG1 ILE 34 8.407 4.739 1.914
224 HG21 ILE 34 1HG2 ILE 34 8.306 1.656 3.611
225 HG22 ILE 34 2HG2 ILE 34 10.032 1.599 3.967
226 HG23 ILE 34 3HG2 ILE 34 8.913 2.294 5.139
227 HD11 ILE 34 3HD1 ILE 34 8.077 1.769 1.596
228 HD12 ILE 34 1HD1 ILE 34 7.684 3.028 0.425
229 HD13 ILE 34 2HD1 ILE 34 9.367 2.709 0.847
230 H HIS 35 H HIS 35 7.031 5.727 3.752
231 HA HIS 35 HA HIS 35 8.164 7.732 2.049
232 HB2 HIS 35 1HB HIS 35 5.339 7.293 3.031
233 HB3 HIS 35 2HB HIS 35 5.795 8.520 1.852
234 HD1 HIS 35 HD1 HIS 35 6.474 7.690 -0.517
235 HD2 HIS 35 HD2 HIS 35 5.201 4.688 2.057
236 HE1 HIS 35 HE1 HIS 35 6.068 5.682 -1.975
237 H THR 36 H THR 36 6.448 7.801 5.163
238 HA THR 36 HA THR 36 6.359 10.493 5.649
239 HB THR 36 HB THR 36 6.245 10.028 7.983
240 HG1 THR 36 HG1 THR 36 8.027 8.787 8.384
241 HG21 THR 36 3HG2 THR 36 4.590 8.322 8.084
242 HG22 THR 36 1HG2 THR 36 5.239 7.515 6.658
243 HG23 THR 36 2HG2 THR 36 4.437 9.078 6.498
244 H GLY 37 H GLY 37 9.106 8.312 6.164
245 HA2 GLY 37 1HA GLY 37 10.846 10.014 7.479
246 HA3 GLY 37 2HA GLY 37 11.352 8.752 6.366
247 H GLU 38 H GLU 38 11.387 9.310 4.051
248 HA GLU 38 HA GLU 38 12.793 11.728 3.627
249 HB2 GLU 38 1HB GLU 38 11.807 9.506 1.905
250 HB3 GLU 38 2HB GLU 38 12.255 11.014 1.120
251 HG2 GLU 38 1HG GLU 38 14.202 9.775 1.033
252 HG3 GLU 38 2HG GLU 38 14.449 10.807 2.440
253 H LYS 39 H LYS 39 11.800 13.636 3.818
254 HA LYS 39 HA LYS 39 9.260 14.017 2.371
255 HB2 LYS 39 1HB LYS 39 8.766 15.814 4.044
256 HB3 LYS 39 2HB LYS 39 8.804 14.190 4.718
257 HG2 LYS 39 1HG LYS 39 10.014 15.275 6.300
258 HG3 LYS 39 2HG LYS 39 11.322 14.838 5.199
259 HD2 LYS 39 1HD LYS 39 11.743 17.079 5.581
260 HD3 LYS 39 2HD LYS 39 10.798 17.133 4.091
261 HE2 LYS 39 1HE LYS 39 9.827 18.786 5.412
262 HE3 LYS 39 2HE LYS 39 8.763 17.399 5.640
263 HZ1 LYS 39 3HZ LYS 39 10.705 17.185 7.584
264 HZ2 LYS 39 1HZ LYS 39 9.091 17.641 7.804
265 HZ3 LYS 39 2HZ LYS 39 10.278 18.822 7.568
266 HA PRO 40 HA PRO 40 11.380 17.047 -0.025
267 HB2 PRO 40 1HB PRO 40 9.228 18.434 -0.929
268 HB3 PRO 40 2HB PRO 40 9.661 16.831 -1.535
269 HG2 PRO 40 1HG PRO 40 7.603 17.595 0.501
270 HG3 PRO 40 2HG PRO 40 7.485 16.423 -0.824
271 HD2 PRO 40 1HD PRO 40 7.942 15.682 1.740
272 HD3 PRO 40 2HD PRO 40 8.601 14.787 0.356
273 H SER 41 H SER 41 10.655 19.626 -0.476
274 HA SER 41 HA SER 41 11.796 21.155 1.381
275 HB2 SER 41 1HB SER 41 9.361 21.794 -0.279
276 HB3 SER 41 2HB SER 41 10.144 23.008 0.733
277 HG SER 41 HG SER 41 10.883 22.063 -1.687
278 H GLY 42 H GLY 42 8.237 21.166 1.374
279 HA2 GLY 42 1HA GLY 42 8.009 20.392 4.109
280 HA3 GLY 42 2HA GLY 42 7.889 22.137 3.934
281 HA PRO 43 HA PRO 43 4.129 20.031 1.665
282 HB2 PRO 43 1HB PRO 43 3.495 17.575 2.632
283 HB3 PRO 43 2HB PRO 43 4.576 17.815 1.254
284 HG2 PRO 43 1HG PRO 43 5.252 17.285 4.122
285 HG3 PRO 43 2HG PRO 43 5.972 16.594 2.657
286 HD2 PRO 43 1HD PRO 43 7.142 18.601 4.047
287 HD3 PRO 43 2HD PRO 43 7.300 18.441 2.286
288 H SER 44 H SER 44 4.564 18.838 5.002
289 HA SER 44 HA SER 44 2.781 20.699 6.143
290 HB2 SER 44 1HB SER 44 0.942 19.116 6.748
291 HB3 SER 44 2HB SER 44 1.029 19.461 5.020
292 HG SER 44 HG SER 44 0.791 17.244 5.345
293 H SER 45 H SER 45 3.380 20.888 8.194
294 HA SER 45 HA SER 45 4.993 18.784 9.397
295 HB2 SER 45 1HB SER 45 4.401 21.631 10.220
296 HB3 SER 45 2HB SER 45 5.356 20.520 11.201
297 HG SER 45 HG SER 45 5.934 21.402 8.566
298 H GLY 46 H GLY 46 3.938 17.218 10.429
299 HA2 GLY 46 1HA GLY 46 2.602 17.433 12.780
300 HA3 GLY 46 2HA GLY 46 1.330 17.655 11.587
Start of MODEL 8
1 H1 GLY 1 H GLY 1 10.298 -7.916 -22.254
2 HA2 GLY 1 1HA GLY 1 7.575 -7.447 -22.723
3 HA3 GLY 1 2HA GLY 1 8.239 -8.884 -21.961
4 H SER 2 H SER 2 6.219 -6.294 -21.529
5 HA SER 2 HA SER 2 6.345 -6.596 -18.601
6 HB2 SER 2 1HB SER 2 7.166 -4.347 -19.528
7 HB3 SER 2 2HB SER 2 5.482 -4.043 -19.954
8 HG SER 2 HG SER 2 6.671 -4.274 -17.424
9 H SER 3 H SER 3 4.565 -7.495 -17.831
10 HA SER 3 HA SER 3 1.967 -6.746 -18.934
11 HB2 SER 3 1HB SER 3 2.951 -8.940 -19.979
12 HB3 SER 3 2HB SER 3 2.483 -9.659 -18.438
13 HG SER 3 HG SER 3 0.368 -9.094 -18.835
14 H GLY 4 H GLY 4 0.227 -7.025 -17.500
15 HA2 GLY 4 1HA GLY 4 0.849 -6.685 -14.769
16 HA3 GLY 4 2HA GLY 4 -0.757 -6.960 -15.427
17 H SER 5 H SER 5 -1.154 -8.219 -13.503
18 HA SER 5 HA SER 5 -0.666 -11.008 -13.943
19 HB2 SER 5 1HB SER 5 0.594 -11.519 -11.989
20 HB3 SER 5 2HB SER 5 1.432 -10.174 -12.763
21 HG SER 5 HG SER 5 1.018 -10.048 -10.401
22 H SER 6 H SER 6 -1.542 -12.276 -11.921
23 HA SER 6 HA SER 6 -3.746 -10.858 -10.634
24 HB2 SER 6 1HB SER 6 -4.439 -11.980 -12.887
25 HB3 SER 6 2HB SER 6 -4.342 -13.482 -11.968
26 HG SER 6 HG SER 6 -5.941 -12.767 -10.630
27 H GLY 7 H GLY 7 -4.323 -11.683 -8.661
28 HA2 GLY 7 1HA GLY 7 -2.762 -14.022 -7.750
29 HA3 GLY 7 2HA GLY 7 -3.134 -12.643 -6.727
30 H THR 8 H THR 8 -3.783 -14.847 -5.566
31 HA THR 8 HA THR 8 -6.134 -16.177 -6.192
32 HB THR 8 HB THR 8 -4.646 -16.943 -4.413
33 HG1 THR 8 HG1 THR 8 -7.370 -16.510 -3.963
34 HG21 THR 8 3HG2 THR 8 -5.743 -14.754 -2.664
35 HG22 THR 8 1HG2 THR 8 -4.223 -14.586 -3.541
36 HG23 THR 8 2HG2 THR 8 -4.407 -15.856 -2.332
37 H GLY 9 H GLY 9 -5.679 -13.189 -4.336
38 HA2 GLY 9 1HA GLY 9 -8.501 -12.551 -4.822
39 HA3 GLY 9 2HA GLY 9 -7.917 -12.529 -3.164
40 H GLU 10 H GLU 10 -8.413 -10.314 -2.975
41 HA GLU 10 HA GLU 10 -6.459 -8.568 -4.313
42 HB2 GLU 10 1HB GLU 10 -8.769 -8.328 -5.271
43 HB3 GLU 10 2HB GLU 10 -9.308 -7.784 -3.688
44 HG2 GLU 10 1HG GLU 10 -8.828 -5.970 -5.338
45 HG3 GLU 10 2HG GLU 10 -7.977 -5.833 -3.801
46 H LYS 11 H LYS 11 -5.408 -7.155 -3.029
47 HA LYS 11 HA LYS 11 -5.595 -7.469 -0.201
48 HB2 LYS 11 1HB LYS 11 -4.000 -5.630 -1.978
49 HB3 LYS 11 2HB LYS 11 -3.917 -5.536 -0.224
50 HG2 LYS 11 1HG LYS 11 -2.102 -6.865 -0.816
51 HG3 LYS 11 2HG LYS 11 -3.329 -8.022 -0.298
52 HD2 LYS 11 1HD LYS 11 -3.699 -8.791 -2.430
53 HD3 LYS 11 2HD LYS 11 -3.194 -7.275 -3.179
54 HE2 LYS 11 1HE LYS 11 -1.270 -9.083 -1.741
55 HE3 LYS 11 2HE LYS 11 -1.645 -9.276 -3.453
56 HZ1 LYS 11 3HZ LYS 11 0.366 -7.910 -2.952
57 HZ2 LYS 11 1HZ LYS 11 -0.655 -6.737 -2.286
58 HZ3 LYS 11 2HZ LYS 11 -0.783 -7.139 -3.924
59 HA PRO 12 HA PRO 12 -8.816 -4.446 0.380
60 HB2 PRO 12 1HB PRO 12 -8.859 -4.606 3.090
61 HB3 PRO 12 2HB PRO 12 -9.596 -5.825 2.044
62 HG2 PRO 12 1HG PRO 12 -6.943 -5.872 3.429
63 HG3 PRO 12 2HG PRO 12 -8.144 -7.166 3.270
64 HD2 PRO 12 1HD PRO 12 -5.931 -7.033 1.715
65 HD3 PRO 12 2HD PRO 12 -7.469 -7.701 1.132
66 H TYR 13 H TYR 13 -5.581 -4.126 0.895
67 HA TYR 13 HA TYR 13 -5.903 -1.340 1.759
68 HB2 TYR 13 1HB TYR 13 -4.052 -3.397 2.944
69 HB3 TYR 13 2HB TYR 13 -3.692 -1.677 3.043
70 HD1 TYR 13 HD2 TYR 13 -5.109 -0.186 4.381
71 HD2 TYR 13 HD1 TYR 13 -5.822 -4.379 4.251
72 HE1 TYR 13 HE2 TYR 13 -6.540 0.001 6.372
73 HE2 TYR 13 HE1 TYR 13 -7.257 -4.203 6.241
74 HH TYR 13 HH TYR 13 -7.438 -1.311 8.125
75 H ASN 14 H ASN 14 -4.168 0.064 1.115
76 HA ASN 14 HA ASN 14 -2.092 -0.877 -0.618
77 HB2 ASN 14 1HB ASN 14 -4.001 0.968 -2.000
78 HB3 ASN 14 2HB ASN 14 -2.838 -0.160 -2.692
79 HD21 ASN 14 1HD2 ASN 14 -3.442 -2.221 -3.117
80 HD22 ASN 14 2HD2 ASN 14 -5.050 -2.816 -2.903
81 H CYS 15 H CYS 15 -0.627 0.795 -1.250
82 HA CYS 15 HA CYS 15 -0.727 3.085 0.561
83 HB2 CYS 15 1HB CYS 15 1.305 1.568 0.370
84 HB3 CYS 15 2HB CYS 15 1.568 2.272 -1.222
85 H GLU 16 H GLU 16 -1.707 4.837 -0.208
86 HA GLU 16 HA GLU 16 -2.093 5.380 -2.954
87 HB2 GLU 16 1HB GLU 16 -2.320 7.190 -0.545
88 HB3 GLU 16 2HB GLU 16 -2.859 7.617 -2.162
89 HG2 GLU 16 1HG GLU 16 -3.891 5.244 -0.634
90 HG3 GLU 16 2HG GLU 16 -4.654 6.833 -0.617
91 H GLU 17 H GLU 17 0.587 5.820 -0.930
92 HA GLU 17 HA GLU 17 1.695 8.142 -2.168
93 HB2 GLU 17 1HB GLU 17 3.106 5.982 -0.593
94 HB3 GLU 17 2HB GLU 17 3.729 7.586 -0.950
95 HG2 GLU 17 1HG GLU 17 1.586 8.394 0.285
96 HG3 GLU 17 2HG GLU 17 1.596 6.767 0.964
97 H CYS 18 H CYS 18 2.601 4.694 -2.332
98 HA CYS 18 HA CYS 18 3.897 5.243 -4.915
99 HB2 CYS 18 1HB CYS 18 5.104 3.092 -4.519
100 HB3 CYS 18 2HB CYS 18 5.443 4.327 -3.311
101 H GLY 19 H GLY 19 1.869 2.844 -3.243
102 HA2 GLY 19 1HA GLY 19 -0.188 2.194 -4.470
103 HA3 GLY 19 2HA GLY 19 0.831 2.048 -5.894
104 H LYS 20 H LYS 20 1.493 0.949 -2.594
105 HA LYS 20 HA LYS 20 1.873 -1.758 -3.659
106 HB2 LYS 20 1HB LYS 20 3.622 -0.396 -2.238
107 HB3 LYS 20 2HB LYS 20 2.656 -0.966 -0.883
108 HG2 LYS 20 1HG LYS 20 3.127 -3.224 -1.365
109 HG3 LYS 20 2HG LYS 20 3.780 -2.825 -2.956
110 HD2 LYS 20 1HD LYS 20 5.014 -1.793 -0.416
111 HD3 LYS 20 2HD LYS 20 5.455 -3.357 -1.104
112 HE2 LYS 20 1HE LYS 20 5.488 -0.958 -2.867
113 HE3 LYS 20 2HE LYS 20 6.793 -1.164 -1.700
114 HZ1 LYS 20 3HZ LYS 20 6.762 -3.579 -2.749
115 HZ2 LYS 20 1HZ LYS 20 7.668 -2.317 -3.419
116 HZ3 LYS 20 2HZ LYS 20 6.166 -2.725 -4.082
117 H ALA 21 H ALA 21 0.332 -3.209 -3.344
118 HA ALA 21 HA ALA 21 -1.885 -2.709 -1.605
119 HB1 ALA 21 3HB ALA 21 -1.239 -4.546 -3.732
120 HB2 ALA 21 1HB ALA 21 -2.003 -5.383 -2.381
121 HB3 ALA 21 2HB ALA 21 -2.815 -4.015 -3.144
122 H PHE 22 H PHE 22 -2.497 -3.832 0.249
123 HA PHE 22 HA PHE 22 -0.513 -5.629 1.444
124 HB2 PHE 22 1HB PHE 22 -1.705 -3.194 2.783
125 HB3 PHE 22 2HB PHE 22 -0.823 -4.456 3.637
126 HD1 PHE 22 HD1 PHE 22 1.579 -4.738 3.303
127 HD2 PHE 22 HD2 PHE 22 -0.573 -1.581 1.428
128 HE1 PHE 22 HE1 PHE 22 3.698 -3.584 2.820
129 HE2 PHE 22 HE2 PHE 22 1.542 -0.423 0.941
130 HZ PHE 22 HZ PHE 22 3.682 -1.425 1.637
131 H ILE 23 H ILE 23 -1.346 -7.230 2.729
132 HA ILE 23 HA ILE 23 -4.168 -7.745 2.448
133 HB ILE 23 HB ILE 23 -2.011 -9.321 3.856
134 HG12 ILE 23 1HG1 ILE 23 -3.408 -10.000 1.273
135 HG13 ILE 23 2HG1 ILE 23 -1.944 -9.023 1.307
136 HG21 ILE 23 1HG2 ILE 23 -3.650 -11.171 3.835
137 HG22 ILE 23 2HG2 ILE 23 -4.153 -9.818 4.846
138 HG23 ILE 23 3HG2 ILE 23 -4.875 -10.044 3.253
139 HD11 ILE 23 3HD1 ILE 23 -2.005 -11.686 2.653
140 HD12 ILE 23 1HD1 ILE 23 -1.771 -11.566 0.909
141 HD13 ILE 23 2HD1 ILE 23 -0.632 -10.786 2.008
142 H HIS 24 H HIS 24 -1.940 -6.955 5.070
143 HA HIS 24 HA HIS 24 -4.270 -6.564 6.833
144 HB2 HIS 24 1HB HIS 24 -1.467 -7.450 7.536
145 HB3 HIS 24 2HB HIS 24 -2.669 -6.971 8.731
146 HD2 HIS 24 HD2 HIS 24 -2.183 -9.849 6.077
147 HE1 HIS 24 HE1 HIS 24 -4.905 -11.131 9.069
148 HE2 HIS 24 HE2 HIS 24 -3.543 -11.816 7.064
149 H ASP 25 H ASP 25 -4.486 -4.639 7.848
150 HA ASP 25 HA ASP 25 -3.384 -2.333 6.866
151 HB2 ASP 25 1HB ASP 25 -4.080 -1.266 9.031
152 HB3 ASP 25 2HB ASP 25 -5.335 -2.231 8.259
153 H SER 26 H SER 26 -2.323 -4.094 9.772
154 HA SER 26 HA SER 26 -0.302 -2.482 10.651
155 HB2 SER 26 1HB SER 26 0.632 -4.373 11.737
156 HB3 SER 26 2HB SER 26 -1.095 -4.712 11.620
157 HG SER 26 HG SER 26 -0.273 -6.524 10.834
158 H GLN 27 H GLN 27 -0.164 -4.813 7.996
159 HA GLN 27 HA GLN 27 2.586 -4.604 7.463
160 HB2 GLN 27 1HB GLN 27 0.255 -5.314 5.682
161 HB3 GLN 27 2HB GLN 27 1.930 -5.410 5.157
162 HG2 GLN 27 1HG GLN 27 2.196 -6.883 7.305
163 HG3 GLN 27 2HG GLN 27 0.456 -7.093 7.117
164 HE21 GLN 27 1HE2 GLN 27 -0.316 -7.958 5.097
165 HE22 GLN 27 2HE2 GLN 27 0.684 -9.036 4.190
166 H LEU 28 H LEU 28 -0.175 -2.946 5.938
167 HA LEU 28 HA LEU 28 1.257 -1.368 4.154
168 HB2 LEU 28 1HB LEU 28 -1.045 -1.406 3.844
169 HB3 LEU 28 2HB LEU 28 -1.376 -1.042 5.537
170 HG LEU 28 HG LEU 28 -0.609 1.272 5.160
171 HD11 LEU 28 1HD1 LEU 28 -0.738 0.962 2.229
172 HD12 LEU 28 2HD1 LEU 28 0.714 0.350 3.020
173 HD13 LEU 28 3HD1 LEU 28 0.248 2.039 3.218
174 HD21 LEU 28 3HD2 LEU 28 -2.517 1.699 3.326
175 HD22 LEU 28 1HD2 LEU 28 -2.865 1.312 5.011
176 HD23 LEU 28 2HD2 LEU 28 -2.918 0.044 3.786
177 H GLN 29 H GLN 29 0.112 -0.489 7.415
178 HA GLN 29 HA GLN 29 1.205 2.050 7.556
179 HB2 GLN 29 1HB GLN 29 0.798 0.006 9.742
180 HB3 GLN 29 2HB GLN 29 1.227 1.685 10.042
181 HG2 GLN 29 1HG GLN 29 -1.320 0.561 8.953
182 HG3 GLN 29 2HG GLN 29 -1.074 1.626 10.336
183 HE21 GLN 29 1HE2 GLN 29 -1.930 1.448 7.109
184 HE22 GLN 29 2HE2 GLN 29 -1.854 3.130 6.724
185 H GLU 30 H GLU 30 2.682 -1.032 8.541
186 HA GLU 30 HA GLU 30 5.107 -0.016 9.465
187 HB2 GLU 30 1HB GLU 30 4.341 -2.351 9.785
188 HB3 GLU 30 2HB GLU 30 4.641 -2.664 8.082
189 HG2 GLU 30 1HG GLU 30 7.044 -1.955 8.550
190 HG3 GLU 30 2HG GLU 30 6.626 -2.108 10.256
191 H HIS 31 H HIS 31 3.879 -0.170 6.291
192 HA HIS 31 HA HIS 31 6.512 -0.028 5.045
193 HB2 HIS 31 1HB HIS 31 5.189 -1.317 3.674
194 HB3 HIS 31 2HB HIS 31 3.723 -0.424 4.069
195 HD1 HIS 31 HD1 HIS 31 6.642 -0.426 1.743
196 HD2 HIS 31 HD2 HIS 31 3.231 1.831 2.473
197 HE1 HIS 31 HE1 HIS 31 6.408 1.102 -0.241
198 H GLN 32 H GLN 32 3.518 1.913 5.046
199 HA GLN 32 HA GLN 32 4.214 4.113 3.680
200 HB2 GLN 32 1HB GLN 32 2.650 3.794 6.207
201 HB3 GLN 32 2HB GLN 32 2.980 5.415 5.611
202 HG2 GLN 32 1HG GLN 32 2.054 4.461 3.364
203 HG3 GLN 32 2HG GLN 32 1.307 3.262 4.419
204 HE21 GLN 32 1HE2 GLN 32 -0.505 4.525 3.190
205 HE22 GLN 32 2HE2 GLN 32 -1.224 5.807 4.098
206 H ARG 33 H ARG 33 5.588 3.114 6.707
207 HA ARG 33 HA ARG 33 6.681 5.421 7.715
208 HB2 ARG 33 1HB ARG 33 8.250 2.854 7.584
209 HB3 ARG 33 2HB ARG 33 8.263 4.076 8.848
210 HG2 ARG 33 1HG ARG 33 5.711 3.386 9.023
211 HG3 ARG 33 2HG ARG 33 6.337 1.882 8.344
212 HD2 ARG 33 1HD ARG 33 7.428 3.246 10.802
213 HD3 ARG 33 2HD ARG 33 6.282 1.906 10.825
214 HE ARG 33 HE ARG 33 8.286 0.884 9.377
215 HH11 ARG 33 1HH1 ARG 33 8.267 2.604 12.403
216 HH12 ARG 33 2HH1 ARG 33 9.675 1.803 13.017
217 HH21 ARG 33 1HH2 ARG 33 10.141 -0.178 10.174
218 HH22 ARG 33 2HH2 ARG 33 10.741 0.222 11.748
219 H ILE 34 H ILE 34 8.031 3.336 5.176
220 HA ILE 34 HA ILE 34 10.450 4.569 4.746
221 HB ILE 34 HB ILE 34 10.396 3.739 2.478
222 HG12 ILE 34 1HG1 ILE 34 7.567 2.822 2.735
223 HG13 ILE 34 2HG1 ILE 34 7.858 4.506 2.311
224 HG21 ILE 34 1HG2 ILE 34 9.106 1.928 4.504
225 HG22 ILE 34 2HG2 ILE 34 9.678 1.366 2.935
226 HG23 ILE 34 3HG2 ILE 34 10.816 2.057 4.092
227 HD11 ILE 34 3HD1 ILE 34 7.524 3.124 0.339
228 HD12 ILE 34 1HD1 ILE 34 9.151 3.804 0.376
229 HD13 ILE 34 2HD1 ILE 34 8.891 2.113 0.808
230 H HIS 35 H HIS 35 7.277 5.747 4.018
231 HA HIS 35 HA HIS 35 8.225 7.822 2.233
232 HB2 HIS 35 1HB HIS 35 5.505 7.177 3.372
233 HB3 HIS 35 2HB HIS 35 5.807 8.575 2.345
234 HD1 HIS 35 HD1 HIS 35 6.611 8.021 -0.143
235 HD2 HIS 35 HD2 HIS 35 5.114 4.817 2.038
236 HE1 HIS 35 HE1 HIS 35 6.102 6.234 -1.837
237 H THR 36 H THR 36 7.271 7.466 5.582
238 HA THR 36 HA THR 36 7.147 10.263 6.150
239 HB THR 36 HB THR 36 6.860 9.677 8.423
240 HG1 THR 36 HG1 THR 36 7.385 7.526 9.157
241 HG21 THR 36 3HG2 THR 36 5.739 7.318 6.915
242 HG22 THR 36 1HG2 THR 36 5.046 8.938 6.848
243 HG23 THR 36 2HG2 THR 36 5.098 8.064 8.379
244 H GLY 37 H GLY 37 9.614 7.752 6.503
245 HA2 GLY 37 1HA GLY 37 11.499 9.166 7.984
246 HA3 GLY 37 2HA GLY 37 11.881 7.897 6.830
247 H GLU 38 H GLU 38 11.570 8.738 4.441
248 HA GLU 38 HA GLU 38 12.824 11.397 4.255
249 HB2 GLU 38 1HB GLU 38 14.170 10.533 2.357
250 HB3 GLU 38 2HB GLU 38 14.551 9.752 3.885
251 HG2 GLU 38 1HG GLU 38 14.470 8.161 2.037
252 HG3 GLU 38 2HG GLU 38 13.249 7.814 3.260
253 H LYS 39 H LYS 39 12.871 11.949 1.709
254 HA LYS 39 HA LYS 39 10.099 11.586 0.775
255 HB2 LYS 39 1HB LYS 39 10.615 13.895 1.481
256 HB3 LYS 39 2HB LYS 39 11.933 13.947 0.318
257 HG2 LYS 39 1HG LYS 39 10.212 13.513 -1.472
258 HG3 LYS 39 2HG LYS 39 8.984 13.797 -0.236
259 HD2 LYS 39 1HD LYS 39 10.396 15.990 0.168
260 HD3 LYS 39 2HD LYS 39 10.892 15.702 -1.501
261 HE2 LYS 39 1HE LYS 39 8.574 15.695 -2.215
262 HE3 LYS 39 2HE LYS 39 8.036 15.884 -0.547
263 HZ1 LYS 39 3HZ LYS 39 8.781 18.058 -0.467
264 HZ2 LYS 39 1HZ LYS 39 8.168 17.948 -2.040
265 HZ3 LYS 39 2HZ LYS 39 9.836 17.870 -1.776
266 HA PRO 40 HA PRO 40 11.756 9.680 -2.837
267 HB2 PRO 40 1HB PRO 40 9.621 10.007 -4.482
268 HB3 PRO 40 2HB PRO 40 9.648 8.828 -3.165
269 HG2 PRO 40 1HG PRO 40 8.415 11.555 -3.242
270 HG3 PRO 40 2HG PRO 40 7.757 10.048 -2.580
271 HD2 PRO 40 1HD PRO 40 8.874 11.959 -1.020
272 HD3 PRO 40 2HD PRO 40 8.967 10.230 -0.626
273 H SER 41 H SER 41 12.062 10.144 -5.199
274 HA SER 41 HA SER 41 13.471 12.446 -5.650
275 HB2 SER 41 1HB SER 41 13.220 11.990 -8.060
276 HB3 SER 41 2HB SER 41 13.548 10.511 -7.157
277 HG SER 41 HG SER 41 11.857 9.892 -8.300
278 H GLY 42 H GLY 42 10.201 11.888 -6.978
279 HA2 GLY 42 1HA GLY 42 9.547 14.688 -6.416
280 HA3 GLY 42 2HA GLY 42 9.463 14.148 -8.087
281 HA PRO 43 HA PRO 43 5.996 11.912 -5.496
282 HB2 PRO 43 1HB PRO 43 5.227 13.278 -3.280
283 HB3 PRO 43 2HB PRO 43 6.473 12.024 -3.251
284 HG2 PRO 43 1HG PRO 43 6.783 15.001 -3.332
285 HG3 PRO 43 2HG PRO 43 7.673 13.809 -2.367
286 HD2 PRO 43 1HD PRO 43 8.678 14.890 -4.637
287 HD3 PRO 43 2HD PRO 43 9.052 13.233 -4.122
288 H SER 44 H SER 44 3.767 12.317 -5.679
289 HA SER 44 HA SER 44 2.997 15.066 -6.382
290 HB2 SER 44 1HB SER 44 3.402 13.660 -8.436
291 HB3 SER 44 2HB SER 44 2.071 12.627 -7.913
292 HG SER 44 HG SER 44 1.418 14.267 -9.398
293 H SER 45 H SER 45 1.678 11.797 -5.842
294 HA SER 45 HA SER 45 -0.731 12.956 -4.682
295 HB2 SER 45 1HB SER 45 -1.607 10.675 -4.697
296 HB3 SER 45 2HB SER 45 -0.932 11.072 -6.276
297 HG SER 45 HG SER 45 0.747 9.751 -5.912
298 H GLY 46 H GLY 46 -0.702 13.481 -2.601
299 HA2 GLY 46 1HA GLY 46 1.222 12.523 -0.753
300 HA3 GLY 46 2HA GLY 46 -0.214 13.456 -0.356
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -14.781 8.888 -11.809
2 HA2 GLY 1 1HA GLY 1 -17.072 8.163 -13.502
3 HA3 GLY 1 2HA GLY 1 -15.606 8.762 -14.265
4 H SER 2 H SER 2 -13.582 7.545 -13.725
5 HA SER 2 HA SER 2 -14.159 4.687 -13.891
6 HB2 SER 2 1HB SER 2 -11.654 6.285 -14.457
7 HB3 SER 2 2HB SER 2 -11.736 4.526 -14.557
8 HG SER 2 HG SER 2 -12.277 5.012 -16.553
9 H SER 3 H SER 3 -14.171 3.578 -12.059
10 HA SER 3 HA SER 3 -12.670 4.505 -9.753
11 HB2 SER 3 1HB SER 3 -15.040 3.634 -9.606
12 HB3 SER 3 2HB SER 3 -14.396 2.030 -9.958
13 HG SER 3 HG SER 3 -13.339 2.021 -8.048
14 H GLY 4 H GLY 4 -12.822 1.609 -11.809
15 HA2 GLY 4 1HA GLY 4 -10.598 0.712 -12.471
16 HA3 GLY 4 2HA GLY 4 -10.149 0.875 -10.779
17 H SER 5 H SER 5 -11.006 -1.304 -13.053
18 HA SER 5 HA SER 5 -12.904 -2.993 -12.121
19 HB2 SER 5 1HB SER 5 -10.193 -3.909 -13.109
20 HB3 SER 5 2HB SER 5 -11.697 -4.830 -13.159
21 HG SER 5 HG SER 5 -10.762 -3.002 -14.905
22 H SER 6 H SER 6 -13.272 -3.435 -10.037
23 HA SER 6 HA SER 6 -11.555 -3.497 -7.924
24 HB2 SER 6 1HB SER 6 -13.169 -5.002 -6.797
25 HB3 SER 6 2HB SER 6 -13.974 -3.685 -7.650
26 HG SER 6 HG SER 6 -14.117 -6.382 -8.065
27 H GLY 7 H GLY 7 -12.508 -6.353 -9.842
28 HA2 GLY 7 1HA GLY 7 -11.286 -8.233 -10.390
29 HA3 GLY 7 2HA GLY 7 -9.867 -7.454 -9.704
30 H THR 8 H THR 8 -12.611 -9.509 -9.065
31 HA THR 8 HA THR 8 -12.705 -9.867 -6.406
32 HB THR 8 HB THR 8 -12.543 -12.145 -8.389
33 HG1 THR 8 HG1 THR 8 -14.695 -10.515 -7.488
34 HG21 THR 8 3HG2 THR 8 -12.774 -12.150 -5.556
35 HG22 THR 8 1HG2 THR 8 -12.864 -13.518 -6.665
36 HG23 THR 8 2HG2 THR 8 -14.329 -12.637 -6.230
37 H GLY 9 H GLY 9 -11.438 -10.542 -4.773
38 HA2 GLY 9 1HA GLY 9 -9.655 -11.506 -3.664
39 HA3 GLY 9 2HA GLY 9 -9.184 -12.271 -5.175
40 H GLU 10 H GLU 10 -8.938 -9.360 -3.231
41 HA GLU 10 HA GLU 10 -6.321 -8.834 -4.332
42 HB2 GLU 10 1HB GLU 10 -6.850 -6.486 -4.939
43 HB3 GLU 10 2HB GLU 10 -7.657 -7.663 -5.965
44 HG2 GLU 10 1HG GLU 10 -9.740 -7.236 -5.038
45 HG3 GLU 10 2HG GLU 10 -9.053 -6.506 -3.588
46 H LYS 11 H LYS 11 -5.056 -7.503 -3.023
47 HA LYS 11 HA LYS 11 -5.456 -7.596 -0.302
48 HB2 LYS 11 1HB LYS 11 -3.716 -5.977 -2.091
49 HB3 LYS 11 2HB LYS 11 -3.860 -5.454 -0.418
50 HG2 LYS 11 1HG LYS 11 -1.936 -6.874 -0.658
51 HG3 LYS 11 2HG LYS 11 -3.155 -7.699 0.316
52 HD2 LYS 11 1HD LYS 11 -2.520 -9.384 -1.116
53 HD3 LYS 11 2HD LYS 11 -3.890 -8.696 -1.991
54 HE2 LYS 11 1HE LYS 11 -2.273 -7.296 -3.273
55 HE3 LYS 11 2HE LYS 11 -0.962 -8.166 -2.480
56 HZ1 LYS 11 3HZ LYS 11 -1.489 -9.066 -4.679
57 HZ2 LYS 11 1HZ LYS 11 -3.060 -9.423 -4.164
58 HZ3 LYS 11 2HZ LYS 11 -1.740 -10.211 -3.459
59 HA PRO 12 HA PRO 12 -8.686 -4.589 0.270
60 HB2 PRO 12 1HB PRO 12 -8.758 -4.760 2.978
61 HB3 PRO 12 2HB PRO 12 -9.474 -5.980 1.919
62 HG2 PRO 12 1HG PRO 12 -6.836 -6.012 3.334
63 HG3 PRO 12 2HG PRO 12 -8.025 -7.315 3.156
64 HD2 PRO 12 1HD PRO 12 -5.796 -7.158 1.627
65 HD3 PRO 12 2HD PRO 12 -7.322 -7.836 1.023
66 H TYR 13 H TYR 13 -5.459 -4.243 0.820
67 HA TYR 13 HA TYR 13 -5.818 -1.482 1.760
68 HB2 TYR 13 1HB TYR 13 -3.899 -3.551 2.794
69 HB3 TYR 13 2HB TYR 13 -3.524 -1.836 2.914
70 HD1 TYR 13 HD2 TYR 13 -4.840 -0.373 4.368
71 HD2 TYR 13 HD1 TYR 13 -5.634 -4.547 4.149
72 HE1 TYR 13 HE2 TYR 13 -6.170 -0.222 6.431
73 HE2 TYR 13 HE1 TYR 13 -6.967 -4.408 6.211
74 HH TYR 13 HH TYR 13 -8.136 -2.833 7.544
75 H ASN 14 H ASN 14 -4.212 0.007 1.051
76 HA ASN 14 HA ASN 14 -2.192 -0.834 -0.820
77 HB2 ASN 14 1HB ASN 14 -4.181 1.091 -1.961
78 HB3 ASN 14 2HB ASN 14 -3.056 0.023 -2.795
79 HD21 ASN 14 1HD2 ASN 14 -3.689 -1.987 -3.359
80 HD22 ASN 14 2HD2 ASN 14 -5.273 -2.618 -3.080
81 H CYS 15 H CYS 15 -0.613 0.704 -1.130
82 HA CYS 15 HA CYS 15 -0.636 2.909 0.738
83 HB2 CYS 15 1HB CYS 15 1.357 1.372 0.205
84 HB3 CYS 15 2HB CYS 15 1.536 2.325 -1.265
85 H GLU 16 H GLU 16 -1.210 4.924 0.282
86 HA GLU 16 HA GLU 16 -1.989 5.664 -2.375
87 HB2 GLU 16 1HB GLU 16 -2.540 7.851 -1.347
88 HB3 GLU 16 2HB GLU 16 -3.269 6.493 -0.501
89 HG2 GLU 16 1HG GLU 16 -1.740 6.655 1.286
90 HG3 GLU 16 2HG GLU 16 -0.693 7.752 0.386
91 H GLU 17 H GLU 17 0.920 5.758 -0.646
92 HA GLU 17 HA GLU 17 2.029 8.090 -1.916
93 HB2 GLU 17 1HB GLU 17 3.132 5.927 -0.148
94 HB3 GLU 17 2HB GLU 17 4.208 7.058 -0.956
95 HG2 GLU 17 1HG GLU 17 1.929 7.963 0.772
96 HG3 GLU 17 2HG GLU 17 3.531 7.611 1.418
97 H CYS 18 H CYS 18 2.486 4.578 -2.231
98 HA CYS 18 HA CYS 18 3.770 5.062 -4.838
99 HB2 CYS 18 1HB CYS 18 4.737 2.751 -4.524
100 HB3 CYS 18 2HB CYS 18 5.327 3.967 -3.397
101 H GLY 19 H GLY 19 1.658 2.770 -3.111
102 HA2 GLY 19 1HA GLY 19 -0.535 2.422 -4.308
103 HA3 GLY 19 2HA GLY 19 0.455 2.080 -5.719
104 H LYS 20 H LYS 20 2.263 0.841 -3.384
105 HA LYS 20 HA LYS 20 1.912 -1.811 -4.014
106 HB2 LYS 20 1HB LYS 20 3.700 -0.543 -2.528
107 HB3 LYS 20 2HB LYS 20 2.688 -1.125 -1.213
108 HG2 LYS 20 1HG LYS 20 2.933 -3.426 -2.394
109 HG3 LYS 20 2HG LYS 20 4.332 -2.673 -3.164
110 HD2 LYS 20 1HD LYS 20 5.492 -2.494 -1.187
111 HD3 LYS 20 2HD LYS 20 4.025 -2.451 -0.206
112 HE2 LYS 20 1HE LYS 20 4.846 -4.913 -1.716
113 HE3 LYS 20 2HE LYS 20 5.476 -4.562 -0.107
114 HZ1 LYS 20 3HZ LYS 20 2.680 -5.102 -0.903
115 HZ2 LYS 20 1HZ LYS 20 3.052 -4.343 0.563
116 HZ3 LYS 20 2HZ LYS 20 3.621 -5.905 0.252
117 H ALA 21 H ALA 21 0.782 -3.537 -3.155
118 HA ALA 21 HA ALA 21 -1.634 -2.810 -1.679
119 HB1 ALA 21 3HB ALA 21 -2.607 -4.224 -3.083
120 HB2 ALA 21 1HB ALA 21 -1.040 -4.666 -3.762
121 HB3 ALA 21 2HB ALA 21 -1.680 -5.546 -2.373
122 H PHE 22 H PHE 22 -2.395 -4.197 0.063
123 HA PHE 22 HA PHE 22 -0.391 -5.824 1.408
124 HB2 PHE 22 1HB PHE 22 -1.634 -3.372 2.667
125 HB3 PHE 22 2HB PHE 22 -0.755 -4.605 3.564
126 HD1 PHE 22 HD2 PHE 22 -0.444 -1.990 0.983
127 HD2 PHE 22 HD1 PHE 22 1.607 -4.647 3.600
128 HE1 PHE 22 HE2 PHE 22 1.667 -0.817 0.514
129 HE2 PHE 22 HE1 PHE 22 3.721 -3.478 3.136
130 HZ PHE 22 HZ PHE 22 3.753 -1.561 1.590
131 H ILE 23 H ILE 23 -1.247 -7.330 2.833
132 HA ILE 23 HA ILE 23 -4.019 -7.973 2.406
133 HB ILE 23 HB ILE 23 -1.940 -9.314 4.139
134 HG12 ILE 23 1HG1 ILE 23 -3.056 -10.452 1.606
135 HG13 ILE 23 2HG1 ILE 23 -1.805 -9.217 1.508
136 HG21 ILE 23 1HG2 ILE 23 -4.684 -9.576 4.309
137 HG22 ILE 23 2HG2 ILE 23 -4.195 -10.933 3.296
138 HG23 ILE 23 3HG2 ILE 23 -3.487 -10.729 4.898
139 HD11 ILE 23 3HD1 ILE 23 -1.314 -11.502 3.320
140 HD12 ILE 23 1HD1 ILE 23 -1.257 -11.808 1.584
141 HD13 ILE 23 2HD1 ILE 23 -0.195 -10.595 2.301
142 H HIS 24 H HIS 24 -2.028 -7.092 5.217
143 HA HIS 24 HA HIS 24 -4.507 -6.563 6.715
144 HB2 HIS 24 1HB HIS 24 -1.724 -7.247 7.664
145 HB3 HIS 24 2HB HIS 24 -2.991 -6.671 8.743
146 HD2 HIS 24 HD2 HIS 24 -2.212 -9.840 6.551
147 HE1 HIS 24 HE1 HIS 24 -5.220 -10.808 9.381
148 HE2 HIS 24 HE2 HIS 24 -3.629 -11.705 7.647
149 H ASP 25 H ASP 25 -4.035 -4.831 8.518
150 HA ASP 25 HA ASP 25 -3.321 -2.417 7.094
151 HB2 ASP 25 1HB ASP 25 -4.181 -1.244 9.056
152 HB3 ASP 25 2HB ASP 25 -5.322 -2.479 8.531
153 H SER 26 H SER 26 -2.294 -3.991 10.121
154 HA SER 26 HA SER 26 -0.284 -2.276 10.877
155 HB2 SER 26 1HB SER 26 0.767 -4.245 11.990
156 HB3 SER 26 2HB SER 26 -0.966 -4.126 12.291
157 HG SER 26 HG SER 26 -0.858 -5.570 10.186
158 H GLN 27 H GLN 27 -0.373 -4.367 8.158
159 HA GLN 27 HA GLN 27 2.476 -4.499 7.774
160 HB2 GLN 27 1HB GLN 27 0.118 -5.271 6.064
161 HB3 GLN 27 2HB GLN 27 1.776 -5.396 5.490
162 HG2 GLN 27 1HG GLN 27 2.117 -6.759 7.695
163 HG3 GLN 27 2HG GLN 27 0.370 -6.971 7.588
164 HE21 GLN 27 1HE2 GLN 27 -0.168 -7.330 5.038
165 HE22 GLN 27 2HE2 GLN 27 0.669 -8.692 4.385
166 H LEU 28 H LEU 28 -0.172 -2.969 5.933
167 HA LEU 28 HA LEU 28 1.405 -1.504 4.180
168 HB2 LEU 28 1HB LEU 28 -0.859 -1.613 3.662
169 HB3 LEU 28 2HB LEU 28 -1.350 -1.113 5.280
170 HG LEU 28 HG LEU 28 -0.490 1.174 4.749
171 HD11 LEU 28 1HD1 LEU 28 -0.141 1.737 2.387
172 HD12 LEU 28 2HD1 LEU 28 -0.263 0.029 1.970
173 HD13 LEU 28 3HD1 LEU 28 1.065 0.596 2.982
174 HD21 LEU 28 3HD2 LEU 28 -2.407 1.054 2.662
175 HD22 LEU 28 1HD2 LEU 28 -2.630 1.574 4.333
176 HD23 LEU 28 2HD2 LEU 28 -2.872 -0.117 3.896
177 H GLN 29 H GLN 29 0.037 -0.484 7.304
178 HA GLN 29 HA GLN 29 1.031 2.113 7.339
179 HB2 GLN 29 1HB GLN 29 0.533 0.210 9.632
180 HB3 GLN 29 2HB GLN 29 0.860 1.927 9.829
181 HG2 GLN 29 1HG GLN 29 -1.525 0.625 8.558
182 HG3 GLN 29 2HG GLN 29 -1.473 1.675 9.973
183 HE21 GLN 29 1HE2 GLN 29 -1.296 1.530 6.499
184 HE22 GLN 29 2HE2 GLN 29 -1.554 3.214 6.216
185 H GLU 30 H GLU 30 2.525 -0.887 8.504
186 HA GLU 30 HA GLU 30 4.853 0.278 9.561
187 HB2 GLU 30 1HB GLU 30 4.076 -2.057 9.991
188 HB3 GLU 30 2HB GLU 30 4.580 -2.482 8.361
189 HG2 GLU 30 1HG GLU 30 6.890 -1.658 9.034
190 HG3 GLU 30 2HG GLU 30 6.287 -1.681 10.691
191 H HIS 31 H HIS 31 3.827 -0.091 6.351
192 HA HIS 31 HA HIS 31 6.538 -0.007 5.264
193 HB2 HIS 31 1HB HIS 31 5.340 -1.443 3.923
194 HB3 HIS 31 2HB HIS 31 3.830 -0.565 4.146
195 HD1 HIS 31 HD1 HIS 31 6.894 -0.676 2.019
196 HD2 HIS 31 HD2 HIS 31 3.395 1.542 2.342
197 HE1 HIS 31 HE1 HIS 31 6.758 0.678 -0.096
198 H GLN 32 H GLN 32 3.516 1.868 5.071
199 HA GLN 32 HA GLN 32 4.172 3.960 3.518
200 HB2 GLN 32 1HB GLN 32 2.651 3.874 6.101
201 HB3 GLN 32 2HB GLN 32 2.892 5.405 5.269
202 HG2 GLN 32 1HG GLN 32 1.958 4.112 3.211
203 HG3 GLN 32 2HG GLN 32 1.306 3.025 4.435
204 HE21 GLN 32 1HE2 GLN 32 -0.620 3.988 3.142
205 HE22 GLN 32 2HE2 GLN 32 -1.384 5.349 3.885
206 H ARG 33 H ARG 33 5.591 3.212 6.589
207 HA ARG 33 HA ARG 33 6.638 5.621 7.409
208 HB2 ARG 33 1HB ARG 33 8.242 3.074 7.496
209 HB3 ARG 33 2HB ARG 33 8.236 4.399 8.652
210 HG2 ARG 33 1HG ARG 33 5.695 3.692 8.888
211 HG3 ARG 33 2HG ARG 33 6.340 2.145 8.334
212 HD2 ARG 33 1HD ARG 33 6.323 2.269 10.770
213 HD3 ARG 33 2HD ARG 33 7.970 2.168 10.150
214 HE ARG 33 HE ARG 33 7.538 4.837 10.415
215 HH11 ARG 33 1HH1 ARG 33 7.252 2.107 12.556
216 HH12 ARG 33 2HH1 ARG 33 7.623 3.020 13.981
217 HH21 ARG 33 1HH2 ARG 33 8.028 6.050 12.284
218 HH22 ARG 33 2HH2 ARG 33 8.064 5.263 13.825
219 H ILE 34 H ILE 34 8.048 3.332 5.084
220 HA ILE 34 HA ILE 34 10.444 4.526 4.538
221 HB ILE 34 HB ILE 34 10.388 3.540 2.345
222 HG12 ILE 34 1HG1 ILE 34 7.500 2.799 2.644
223 HG13 ILE 34 2HG1 ILE 34 7.926 4.388 2.019
224 HG21 ILE 34 1HG2 ILE 34 8.876 1.379 3.441
225 HG22 ILE 34 2HG2 ILE 34 10.624 1.543 3.281
226 HG23 ILE 34 3HG2 ILE 34 9.811 2.146 4.725
227 HD11 ILE 34 3HD1 ILE 34 8.326 1.703 0.810
228 HD12 ILE 34 1HD1 ILE 34 7.717 3.190 0.086
229 HD13 ILE 34 2HD1 ILE 34 9.442 3.005 0.400
230 H HIS 35 H HIS 35 7.284 5.706 3.781
231 HA HIS 35 HA HIS 35 8.269 7.672 1.881
232 HB2 HIS 35 1HB HIS 35 5.511 7.118 2.986
233 HB3 HIS 35 2HB HIS 35 5.863 8.405 1.837
234 HD1 HIS 35 HD1 HIS 35 6.858 7.549 -0.533
235 HD2 HIS 35 HD2 HIS 35 5.007 4.695 1.852
236 HE1 HIS 35 HE1 HIS 35 6.346 5.622 -2.065
237 H THR 36 H THR 36 6.538 7.738 4.998
238 HA THR 36 HA THR 36 6.420 10.365 5.568
239 HB THR 36 HB THR 36 6.466 9.879 7.882
240 HG1 THR 36 HG1 THR 36 7.533 8.081 8.726
241 HG21 THR 36 3HG2 THR 36 5.015 8.007 8.089
242 HG22 THR 36 1HG2 THR 36 5.667 7.255 6.634
243 HG23 THR 36 2HG2 THR 36 4.691 8.719 6.509
244 H GLY 37 H GLY 37 9.335 8.368 5.804
245 HA2 GLY 37 1HA GLY 37 11.550 8.928 6.034
246 HA3 GLY 37 2HA GLY 37 11.123 10.389 5.155
247 H GLU 38 H GLU 38 10.106 9.300 8.377
248 HA GLU 38 HA GLU 38 11.668 11.444 9.599
249 HB2 GLU 38 1HB GLU 38 9.578 12.549 9.183
250 HB3 GLU 38 2HB GLU 38 8.669 11.184 9.816
251 HG2 GLU 38 1HG GLU 38 9.643 11.615 12.043
252 HG3 GLU 38 2HG GLU 38 10.445 13.039 11.384
253 H LYS 39 H LYS 39 12.380 10.975 11.618
254 HA LYS 39 HA LYS 39 11.208 8.717 13.058
255 HB2 LYS 39 1HB LYS 39 12.990 7.698 11.772
256 HB3 LYS 39 2HB LYS 39 14.128 8.930 12.303
257 HG2 LYS 39 1HG LYS 39 13.716 8.101 14.659
258 HG3 LYS 39 2HG LYS 39 12.889 6.726 13.922
259 HD2 LYS 39 1HD LYS 39 15.052 6.471 12.529
260 HD3 LYS 39 2HD LYS 39 15.781 7.500 13.764
261 HE2 LYS 39 1HE LYS 39 15.353 5.929 15.468
262 HE3 LYS 39 2HE LYS 39 14.232 5.019 14.456
263 HZ1 LYS 39 3HZ LYS 39 16.008 4.217 13.140
264 HZ2 LYS 39 1HZ LYS 39 16.474 3.995 14.751
265 HZ3 LYS 39 2HZ LYS 39 17.123 5.272 13.851
266 HA PRO 40 HA PRO 40 11.800 11.443 16.473
267 HB2 PRO 40 1HB PRO 40 11.494 9.637 18.477
268 HB3 PRO 40 2HB PRO 40 10.140 10.244 17.515
269 HG2 PRO 40 1HG PRO 40 11.651 7.673 17.250
270 HG3 PRO 40 2HG PRO 40 9.904 7.959 17.153
271 HD2 PRO 40 1HD PRO 40 11.454 7.652 14.954
272 HD3 PRO 40 2HD PRO 40 10.019 8.696 14.972
273 H SER 41 H SER 41 12.969 11.116 18.793
274 HA SER 41 HA SER 41 15.756 10.538 18.107
275 HB2 SER 41 1HB SER 41 14.546 12.083 20.411
276 HB3 SER 41 2HB SER 41 16.275 11.821 20.187
277 HG SER 41 HG SER 41 14.500 13.400 18.698
278 H GLY 42 H GLY 42 15.779 8.291 18.309
279 HA2 GLY 42 1HA GLY 42 15.958 6.275 19.393
280 HA3 GLY 42 2HA GLY 42 16.488 7.229 20.770
281 HA PRO 43 HA PRO 43 11.694 6.696 21.225
282 HB2 PRO 43 1HB PRO 43 10.526 4.894 19.564
283 HB3 PRO 43 2HB PRO 43 10.678 6.610 19.166
284 HG2 PRO 43 1HG PRO 43 12.370 4.304 18.282
285 HG3 PRO 43 2HG PRO 43 11.759 5.672 17.334
286 HD2 PRO 43 1HD PRO 43 14.298 5.565 18.269
287 HD3 PRO 43 2HD PRO 43 13.412 7.092 18.085
288 H SER 44 H SER 44 13.113 3.689 19.920
289 HA SER 44 HA SER 44 13.411 2.470 22.447
290 HB2 SER 44 1HB SER 44 10.833 2.474 21.997
291 HB3 SER 44 2HB SER 44 11.207 1.149 20.896
292 HG SER 44 HG SER 44 11.478 -0.110 22.551
293 H SER 45 H SER 45 14.664 0.661 22.315
294 HA SER 45 HA SER 45 16.331 -0.564 21.296
295 HB2 SER 45 1HB SER 45 15.449 -2.475 20.204
296 HB3 SER 45 2HB SER 45 14.186 -1.959 21.322
297 HG SER 45 HG SER 45 13.577 -0.666 19.231
298 H GLY 46 H GLY 46 16.307 1.966 20.172
299 HA2 GLY 46 1HA GLY 46 16.671 1.424 17.291
300 HA3 GLY 46 2HA GLY 46 16.277 3.000 17.962
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -0.633 9.257 -23.773
2 HA2 GLY 1 1HA GLY 1 -1.114 9.712 -20.893
3 HA3 GLY 1 2HA GLY 1 -2.091 8.607 -21.848
4 H SER 2 H SER 2 -1.579 6.537 -21.676
5 HA SER 2 HA SER 2 -0.447 4.624 -21.188
6 HB2 SER 2 1HB SER 2 0.878 5.574 -23.190
7 HB3 SER 2 2HB SER 2 2.093 6.027 -21.995
8 HG SER 2 HG SER 2 2.145 3.827 -23.111
9 H SER 3 H SER 3 -0.897 6.303 -19.022
10 HA SER 3 HA SER 3 1.364 6.868 -17.459
11 HB2 SER 3 1HB SER 3 -0.817 7.828 -16.943
12 HB3 SER 3 2HB SER 3 -1.466 6.227 -16.593
13 HG SER 3 HG SER 3 -0.729 6.454 -14.652
14 H GLY 4 H GLY 4 -0.784 4.031 -17.476
15 HA2 GLY 4 1HA GLY 4 0.385 1.847 -17.315
16 HA3 GLY 4 2HA GLY 4 1.331 2.566 -16.020
17 H SER 5 H SER 5 -0.782 0.291 -16.375
18 HA SER 5 HA SER 5 -2.844 1.033 -14.516
19 HB2 SER 5 1HB SER 5 -2.976 -0.706 -16.434
20 HB3 SER 5 2HB SER 5 -2.193 -1.801 -15.294
21 HG SER 5 HG SER 5 -4.767 -0.787 -15.303
22 H SER 6 H SER 6 -3.264 -0.437 -12.587
23 HA SER 6 HA SER 6 -1.110 -1.736 -11.290
24 HB2 SER 6 1HB SER 6 -0.502 0.774 -11.148
25 HB3 SER 6 2HB SER 6 -1.814 0.879 -9.975
26 HG SER 6 HG SER 6 0.556 0.302 -9.359
27 H GLY 7 H GLY 7 -1.856 -2.998 -9.668
28 HA2 GLY 7 1HA GLY 7 -3.311 -3.341 -7.760
29 HA3 GLY 7 2HA GLY 7 -4.537 -2.398 -8.594
30 H THR 8 H THR 8 -2.791 -5.463 -8.618
31 HA THR 8 HA THR 8 -5.093 -6.660 -10.017
32 HB THR 8 HB THR 8 -3.528 -8.309 -11.018
33 HG1 THR 8 HG1 THR 8 -1.836 -7.799 -9.370
34 HG21 THR 8 3HG2 THR 8 -4.232 -6.008 -12.048
35 HG22 THR 8 1HG2 THR 8 -2.986 -6.980 -12.829
36 HG23 THR 8 2HG2 THR 8 -2.530 -5.607 -11.819
37 H GLY 9 H GLY 9 -4.826 -6.448 -7.202
38 HA2 GLY 9 1HA GLY 9 -4.639 -9.311 -6.532
39 HA3 GLY 9 2HA GLY 9 -3.851 -8.116 -5.512
40 H GLU 10 H GLU 10 -5.457 -9.554 -4.118
41 HA GLU 10 HA GLU 10 -8.068 -8.203 -4.038
42 HB2 GLU 10 1HB GLU 10 -7.146 -10.937 -3.313
43 HB3 GLU 10 2HB GLU 10 -8.437 -10.237 -2.347
44 HG2 GLU 10 1HG GLU 10 -9.491 -9.723 -4.688
45 HG3 GLU 10 2HG GLU 10 -8.428 -11.028 -5.213
46 H LYS 11 H LYS 11 -5.343 -7.404 -2.896
47 HA LYS 11 HA LYS 11 -5.583 -7.525 -0.062
48 HB2 LYS 11 1HB LYS 11 -3.826 -6.108 -2.005
49 HB3 LYS 11 2HB LYS 11 -3.903 -5.477 -0.365
50 HG2 LYS 11 1HG LYS 11 -2.162 -6.915 -0.133
51 HG3 LYS 11 2HG LYS 11 -3.490 -8.014 0.248
52 HD2 LYS 11 1HD LYS 11 -3.364 -9.082 -1.805
53 HD3 LYS 11 2HD LYS 11 -2.550 -7.719 -2.577
54 HE2 LYS 11 1HE LYS 11 -1.187 -9.162 -0.350
55 HE3 LYS 11 2HE LYS 11 -1.228 -9.898 -1.952
56 HZ1 LYS 11 3HZ LYS 11 0.459 -7.866 -1.017
57 HZ2 LYS 11 1HZ LYS 11 -0.502 -7.217 -2.249
58 HZ3 LYS 11 2HZ LYS 11 0.438 -8.591 -2.545
59 HA PRO 12 HA PRO 12 -8.723 -4.357 0.210
60 HB2 PRO 12 1HB PRO 12 -8.968 -4.473 2.911
61 HB3 PRO 12 2HB PRO 12 -9.696 -5.666 1.828
62 HG2 PRO 12 1HG PRO 12 -7.155 -5.837 3.403
63 HG3 PRO 12 2HG PRO 12 -8.413 -7.066 3.170
64 HD2 PRO 12 1HD PRO 12 -6.090 -7.077 1.779
65 HD3 PRO 12 2HD PRO 12 -7.617 -7.668 1.093
66 H TYR 13 H TYR 13 -5.520 -4.204 0.950
67 HA TYR 13 HA TYR 13 -5.761 -1.414 1.848
68 HB2 TYR 13 1HB TYR 13 -4.017 -3.587 2.975
69 HB3 TYR 13 2HB TYR 13 -3.540 -1.897 3.100
70 HD1 TYR 13 HD2 TYR 13 -4.786 -0.353 4.513
71 HD2 TYR 13 HD1 TYR 13 -5.901 -4.449 4.234
72 HE1 TYR 13 HE2 TYR 13 -6.190 -0.100 6.516
73 HE2 TYR 13 HE1 TYR 13 -7.310 -4.208 6.236
74 HH TYR 13 HH TYR 13 -8.358 -1.415 7.420
75 H ASN 14 H ASN 14 -4.240 0.018 1.037
76 HA ASN 14 HA ASN 14 -2.095 -0.938 -0.656
77 HB2 ASN 14 1HB ASN 14 -4.114 0.916 -1.907
78 HB3 ASN 14 2HB ASN 14 -2.827 0.006 -2.693
79 HD21 ASN 14 1HD2 ASN 14 -3.063 -2.276 -2.892
80 HD22 ASN 14 2HD2 ASN 14 -4.636 -2.991 -2.920
81 H CYS 15 H CYS 15 -0.569 0.682 -1.186
82 HA CYS 15 HA CYS 15 -0.590 2.912 0.683
83 HB2 CYS 15 1HB CYS 15 1.407 1.353 0.277
84 HB3 CYS 15 2HB CYS 15 1.626 2.223 -1.238
85 H GLU 16 H GLU 16 -1.420 4.794 0.089
86 HA GLU 16 HA GLU 16 -1.958 5.459 -2.629
87 HB2 GLU 16 1HB GLU 16 -3.141 6.216 -0.404
88 HB3 GLU 16 2HB GLU 16 -1.958 7.515 -0.456
89 HG2 GLU 16 1HG GLU 16 -2.785 7.875 -2.867
90 HG3 GLU 16 2HG GLU 16 -4.174 6.910 -2.369
91 H GLU 17 H GLU 17 0.779 5.781 -0.644
92 HA GLU 17 HA GLU 17 1.882 8.145 -1.793
93 HB2 GLU 17 1HB GLU 17 3.035 5.895 -0.160
94 HB3 GLU 17 2HB GLU 17 4.049 7.180 -0.800
95 HG2 GLU 17 1HG GLU 17 3.564 7.866 1.363
96 HG3 GLU 17 2HG GLU 17 2.441 8.786 0.364
97 H CYS 18 H CYS 18 2.584 4.682 -2.250
98 HA CYS 18 HA CYS 18 3.910 5.367 -4.787
99 HB2 CYS 18 1HB CYS 18 4.942 3.073 -4.574
100 HB3 CYS 18 2HB CYS 18 5.438 4.232 -3.345
101 H GLY 19 H GLY 19 1.736 2.985 -3.289
102 HA2 GLY 19 1HA GLY 19 -0.363 2.579 -4.559
103 HA3 GLY 19 2HA GLY 19 0.653 2.447 -5.987
104 H LYS 20 H LYS 20 1.562 1.111 -2.885
105 HA LYS 20 HA LYS 20 1.765 -1.519 -4.065
106 HB2 LYS 20 1HB LYS 20 2.642 -0.229 -1.532
107 HB3 LYS 20 2HB LYS 20 2.418 -1.973 -1.512
108 HG2 LYS 20 1HG LYS 20 3.912 -2.005 -3.587
109 HG3 LYS 20 2HG LYS 20 4.337 -0.350 -3.143
110 HD2 LYS 20 1HD LYS 20 5.063 -1.144 -0.934
111 HD3 LYS 20 2HD LYS 20 4.662 -2.798 -1.405
112 HE2 LYS 20 1HE LYS 20 6.392 -2.891 -2.976
113 HE3 LYS 20 2HE LYS 20 6.570 -1.138 -3.018
114 HZ1 LYS 20 3HZ LYS 20 7.936 -1.160 -1.266
115 HZ2 LYS 20 1HZ LYS 20 8.136 -2.805 -1.607
116 HZ3 LYS 20 2HZ LYS 20 7.030 -2.315 -0.426
117 H ALA 21 H ALA 21 1.074 -3.390 -2.487
118 HA ALA 21 HA ALA 21 -1.666 -2.854 -1.550
119 HB1 ALA 21 3HB ALA 21 -0.912 -4.473 -3.732
120 HB2 ALA 21 1HB ALA 21 -1.441 -5.555 -2.444
121 HB3 ALA 21 2HB ALA 21 -2.514 -4.280 -3.021
122 H PHE 22 H PHE 22 -2.408 -4.123 0.189
123 HA PHE 22 HA PHE 22 -0.543 -5.945 1.475
124 HB2 PHE 22 1HB PHE 22 -1.523 -3.408 2.796
125 HB3 PHE 22 2HB PHE 22 -0.766 -4.740 3.662
126 HD1 PHE 22 HD2 PHE 22 -0.226 -2.039 1.237
127 HD2 PHE 22 HD1 PHE 22 1.591 -5.108 3.560
128 HE1 PHE 22 HE2 PHE 22 1.990 -1.079 0.766
129 HE2 PHE 22 HE1 PHE 22 3.810 -4.152 3.094
130 HZ PHE 22 HZ PHE 22 4.012 -2.136 1.694
131 H ILE 23 H ILE 23 -1.513 -7.320 3.007
132 HA ILE 23 HA ILE 23 -4.366 -7.660 2.607
133 HB ILE 23 HB ILE 23 -2.382 -9.349 4.135
134 HG12 ILE 23 1HG1 ILE 23 -3.727 -9.907 1.487
135 HG13 ILE 23 2HG1 ILE 23 -2.119 -9.206 1.629
136 HG21 ILE 23 1HG2 ILE 23 -5.307 -9.724 3.558
137 HG22 ILE 23 2HG2 ILE 23 -4.240 -11.069 3.959
138 HG23 ILE 23 3HG2 ILE 23 -4.482 -9.761 5.117
139 HD11 ILE 23 3HD1 ILE 23 -2.992 -11.921 2.585
140 HD12 ILE 23 1HD1 ILE 23 -1.943 -11.562 1.213
141 HD13 ILE 23 2HD1 ILE 23 -1.396 -11.221 2.855
142 H HIS 24 H HIS 24 -2.129 -6.988 5.261
143 HA HIS 24 HA HIS 24 -4.448 -6.388 6.976
144 HB2 HIS 24 1HB HIS 24 -1.663 -7.301 7.711
145 HB3 HIS 24 2HB HIS 24 -2.837 -6.718 8.888
146 HD2 HIS 24 HD2 HIS 24 -2.571 -9.721 6.327
147 HE1 HIS 24 HE1 HIS 24 -5.105 -10.814 9.549
148 HE2 HIS 24 HE2 HIS 24 -3.914 -11.609 7.477
149 H ASP 25 H ASP 25 -4.447 -4.490 8.192
150 HA ASP 25 HA ASP 25 -3.341 -2.223 6.990
151 HB2 ASP 25 1HB ASP 25 -4.007 -1.064 9.139
152 HB3 ASP 25 2HB ASP 25 -5.293 -1.955 8.329
153 H SER 26 H SER 26 -2.357 -3.929 9.951
154 HA SER 26 HA SER 26 -0.274 -2.304 10.745
155 HB2 SER 26 1HB SER 26 0.710 -4.387 11.764
156 HB3 SER 26 2HB SER 26 -0.988 -4.115 12.157
157 HG SER 26 HG SER 26 -1.237 -5.526 10.113
158 H GLN 27 H GLN 27 -0.403 -4.585 8.116
159 HA GLN 27 HA GLN 27 2.413 -4.727 7.675
160 HB2 GLN 27 1HB GLN 27 0.068 -5.383 5.887
161 HB3 GLN 27 2HB GLN 27 1.746 -5.702 5.466
162 HG2 GLN 27 1HG GLN 27 1.960 -7.201 7.363
163 HG3 GLN 27 2HG GLN 27 0.298 -6.854 7.840
164 HE21 GLN 27 1HE2 GLN 27 -0.423 -8.936 7.644
165 HE22 GLN 27 2HE2 GLN 27 -0.575 -9.747 6.127
166 H LEU 28 H LEU 28 -0.224 -3.007 6.009
167 HA LEU 28 HA LEU 28 1.401 -1.643 4.172
168 HB2 LEU 28 1HB LEU 28 -0.913 -1.750 3.735
169 HB3 LEU 28 2HB LEU 28 -1.318 -1.069 5.309
170 HG LEU 28 HG LEU 28 -0.353 1.098 4.550
171 HD11 LEU 28 1HD1 LEU 28 0.488 1.446 2.469
172 HD12 LEU 28 2HD1 LEU 28 -0.498 0.183 1.734
173 HD13 LEU 28 3HD1 LEU 28 0.938 -0.248 2.662
174 HD21 LEU 28 3HD2 LEU 28 -2.763 0.643 4.459
175 HD22 LEU 28 1HD2 LEU 28 -2.573 0.002 2.827
176 HD23 LEU 28 2HD2 LEU 28 -2.243 1.704 3.149
177 H GLN 29 H GLN 29 0.088 -0.595 7.308
178 HA GLN 29 HA GLN 29 1.108 1.979 7.360
179 HB2 GLN 29 1HB GLN 29 0.797 0.079 9.691
180 HB3 GLN 29 2HB GLN 29 0.962 1.826 9.811
181 HG2 GLN 29 1HG GLN 29 -1.290 0.423 8.393
182 HG3 GLN 29 2HG GLN 29 -1.361 1.012 10.053
183 HE21 GLN 29 1HE2 GLN 29 -2.424 1.707 7.138
184 HE22 GLN 29 2HE2 GLN 29 -2.422 3.434 7.177
185 H GLU 30 H GLU 30 2.632 -1.015 8.528
186 HA GLU 30 HA GLU 30 4.999 0.114 9.479
187 HB2 GLU 30 1HB GLU 30 4.344 -2.196 9.949
188 HB3 GLU 30 2HB GLU 30 4.566 -2.617 8.257
189 HG2 GLU 30 1HG GLU 30 6.462 -3.384 9.473
190 HG3 GLU 30 2HG GLU 30 6.963 -2.017 8.480
191 H HIS 31 H HIS 31 3.881 -0.265 6.277
192 HA HIS 31 HA HIS 31 6.552 -0.089 5.117
193 HB2 HIS 31 1HB HIS 31 5.336 -1.526 3.792
194 HB3 HIS 31 2HB HIS 31 3.822 -0.670 4.068
195 HD1 HIS 31 HD1 HIS 31 6.716 -0.858 1.771
196 HD2 HIS 31 HD2 HIS 31 3.426 1.602 2.394
197 HE1 HIS 31 HE1 HIS 31 6.536 0.561 -0.297
198 H GLN 32 H GLN 32 3.480 1.713 4.920
199 HA GLN 32 HA GLN 32 4.092 3.846 3.425
200 HB2 GLN 32 1HB GLN 32 2.611 3.757 6.043
201 HB3 GLN 32 2HB GLN 32 2.749 5.246 5.117
202 HG2 GLN 32 1HG GLN 32 1.683 4.138 3.205
203 HG3 GLN 32 2HG GLN 32 1.508 2.673 4.169
204 HE21 GLN 32 1HE2 GLN 32 -0.237 5.023 2.973
205 HE22 GLN 32 2HE2 GLN 32 -1.405 5.263 4.223
206 H ARG 33 H ARG 33 5.453 3.141 6.552
207 HA ARG 33 HA ARG 33 6.471 5.561 7.356
208 HB2 ARG 33 1HB ARG 33 8.098 3.030 7.495
209 HB3 ARG 33 2HB ARG 33 8.066 4.368 8.635
210 HG2 ARG 33 1HG ARG 33 5.526 3.644 8.842
211 HG3 ARG 33 2HG ARG 33 6.192 2.096 8.318
212 HD2 ARG 33 1HD ARG 33 6.337 1.961 10.628
213 HD3 ARG 33 2HD ARG 33 7.953 2.493 10.166
214 HE ARG 33 HE ARG 33 7.563 4.501 11.212
215 HH11 ARG 33 1HH1 ARG 33 4.571 2.750 10.895
216 HH12 ARG 33 2HH1 ARG 33 3.679 3.831 11.913
217 HH21 ARG 33 1HH2 ARG 33 6.400 5.932 12.554
218 HH22 ARG 33 2HH2 ARG 33 4.720 5.641 12.856
219 H ILE 34 H ILE 34 7.965 3.261 5.092
220 HA ILE 34 HA ILE 34 10.356 4.430 4.566
221 HB ILE 34 HB ILE 34 10.293 3.510 2.341
222 HG12 ILE 34 1HG1 ILE 34 7.418 2.742 2.581
223 HG13 ILE 34 2HG1 ILE 34 7.802 4.390 2.096
224 HG21 ILE 34 1HG2 ILE 34 9.757 1.216 2.840
225 HG22 ILE 34 2HG2 ILE 34 10.468 1.968 4.268
226 HG23 ILE 34 3HG2 ILE 34 8.725 1.711 4.182
227 HD11 ILE 34 3HD1 ILE 34 9.425 2.756 0.523
228 HD12 ILE 34 1HD1 ILE 34 7.844 1.975 0.552
229 HD13 ILE 34 2HD1 ILE 34 7.991 3.652 0.023
230 H HIS 35 H HIS 35 7.230 5.696 3.800
231 HA HIS 35 HA HIS 35 8.300 7.705 1.986
232 HB2 HIS 35 1HB HIS 35 5.486 7.209 2.980
233 HB3 HIS 35 2HB HIS 35 5.932 8.443 1.805
234 HD1 HIS 35 HD1 HIS 35 6.750 7.577 -0.549
235 HD2 HIS 35 HD2 HIS 35 5.192 4.661 1.968
236 HE1 HIS 35 HE1 HIS 35 6.297 5.589 -2.022
237 H THR 36 H THR 36 6.945 7.458 5.229
238 HA THR 36 HA THR 36 7.685 10.275 5.687
239 HB THR 36 HB THR 36 5.279 9.949 5.922
240 HG1 THR 36 HG1 THR 36 5.122 10.884 7.951
241 HG21 THR 36 3HG2 THR 36 6.105 7.525 7.242
242 HG22 THR 36 1HG2 THR 36 4.506 7.992 6.663
243 HG23 THR 36 2HG2 THR 36 5.029 8.458 8.282
244 H GLY 37 H GLY 37 9.555 8.150 5.880
245 HA2 GLY 37 1HA GLY 37 10.195 8.366 8.741
246 HA3 GLY 37 2HA GLY 37 10.223 6.784 7.978
247 H GLU 38 H GLU 38 11.317 7.616 5.479
248 HA GLU 38 HA GLU 38 14.021 8.437 6.318
249 HB2 GLU 38 1HB GLU 38 13.189 6.315 4.342
250 HB3 GLU 38 2HB GLU 38 14.819 6.972 4.401
251 HG2 GLU 38 1HG GLU 38 13.580 5.857 6.874
252 HG3 GLU 38 2HG GLU 38 14.250 4.773 5.657
253 H LYS 39 H LYS 39 15.050 9.947 5.111
254 HA LYS 39 HA LYS 39 13.833 11.880 3.720
255 HB2 LYS 39 1HB LYS 39 15.980 12.242 2.472
256 HB3 LYS 39 2HB LYS 39 16.163 12.080 4.213
257 HG2 LYS 39 1HG LYS 39 16.896 9.783 3.949
258 HG3 LYS 39 2HG LYS 39 16.653 9.891 2.203
259 HD2 LYS 39 1HD LYS 39 18.475 11.284 1.905
260 HD3 LYS 39 2HD LYS 39 18.444 11.853 3.576
261 HE2 LYS 39 1HE LYS 39 20.255 10.462 3.666
262 HE3 LYS 39 2HE LYS 39 18.977 9.322 4.085
263 HZ1 LYS 39 3HZ LYS 39 19.583 8.101 2.359
264 HZ2 LYS 39 1HZ LYS 39 20.757 9.235 1.912
265 HZ3 LYS 39 2HZ LYS 39 19.183 9.365 1.309
266 HA PRO 40 HA PRO 40 12.271 10.409 -0.110
267 HB2 PRO 40 1HB PRO 40 12.584 12.599 -1.684
268 HB3 PRO 40 2HB PRO 40 11.365 12.499 -0.408
269 HG2 PRO 40 1HG PRO 40 14.054 13.815 -0.360
270 HG3 PRO 40 2HG PRO 40 12.506 14.409 0.270
271 HD2 PRO 40 1HD PRO 40 14.399 13.305 1.860
272 HD3 PRO 40 2HD PRO 40 12.662 13.149 2.194
273 H SER 41 H SER 41 15.493 10.889 0.399
274 HA SER 41 HA SER 41 17.334 10.033 -0.654
275 HB2 SER 41 1HB SER 41 15.614 8.326 -1.545
276 HB3 SER 41 2HB SER 41 15.640 9.279 -3.029
277 HG SER 41 HG SER 41 17.162 7.622 -3.158
278 H GLY 42 H GLY 42 16.827 12.712 -0.783
279 HA2 GLY 42 1HA GLY 42 18.295 14.213 -2.047
280 HA3 GLY 42 2HA GLY 42 17.764 13.385 -3.503
281 HA PRO 43 HA PRO 43 13.978 16.017 -2.051
282 HB2 PRO 43 1HB PRO 43 14.389 17.710 0.031
283 HB3 PRO 43 2HB PRO 43 13.829 16.047 0.242
284 HG2 PRO 43 1HG PRO 43 16.589 17.168 0.537
285 HG3 PRO 43 2HG PRO 43 15.739 16.003 1.568
286 HD2 PRO 43 1HD PRO 43 17.586 15.251 -0.263
287 HD3 PRO 43 2HD PRO 43 16.193 14.235 0.161
288 H SER 44 H SER 44 13.593 17.699 -3.349
289 HA SER 44 HA SER 44 14.173 19.341 -4.874
290 HB2 SER 44 1HB SER 44 14.221 21.469 -3.817
291 HB3 SER 44 2HB SER 44 13.280 20.430 -2.748
292 HG SER 44 HG SER 44 15.355 20.095 -1.618
293 H SER 45 H SER 45 16.311 17.533 -4.611
294 HA SER 45 HA SER 45 18.797 18.359 -3.976
295 HB2 SER 45 1HB SER 45 19.656 17.026 -5.858
296 HB3 SER 45 2HB SER 45 18.328 16.196 -5.046
297 HG SER 45 HG SER 45 18.521 16.974 -7.612
298 H GLY 46 H GLY 46 20.571 19.288 -5.261
299 HA2 GLY 46 1HA GLY 46 19.589 21.474 -6.992
300 HA3 GLY 46 2HA GLY 46 20.918 21.666 -5.859
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -5.716 -18.235 -26.466
2 HA2 GLY 1 1HA GLY 1 -7.976 -18.575 -24.598
3 HA3 GLY 1 2HA GLY 1 -6.473 -19.482 -24.522
4 H SER 2 H SER 2 -8.179 -16.981 -23.181
5 HA SER 2 HA SER 2 -5.732 -15.683 -22.176
6 HB2 SER 2 1HB SER 2 -7.377 -14.249 -23.467
7 HB3 SER 2 2HB SER 2 -8.514 -14.501 -22.143
8 HG SER 2 HG SER 2 -7.312 -12.574 -21.880
9 H SER 3 H SER 3 -6.592 -18.100 -21.071
10 HA SER 3 HA SER 3 -8.176 -17.622 -18.727
11 HB2 SER 3 1HB SER 3 -7.804 -19.847 -20.059
12 HB3 SER 3 2HB SER 3 -6.381 -20.007 -19.030
13 HG SER 3 HG SER 3 -8.211 -19.401 -17.358
14 H GLY 4 H GLY 4 -7.529 -17.241 -16.666
15 HA2 GLY 4 1HA GLY 4 -5.219 -17.753 -15.367
16 HA3 GLY 4 2HA GLY 4 -4.811 -16.319 -16.297
17 H SER 5 H SER 5 -6.430 -17.561 -13.539
18 HA SER 5 HA SER 5 -6.640 -14.970 -12.368
19 HB2 SER 5 1HB SER 5 -9.095 -14.955 -12.065
20 HB3 SER 5 2HB SER 5 -8.642 -14.851 -13.766
21 HG SER 5 HG SER 5 -9.074 -17.388 -12.691
22 H SER 6 H SER 6 -6.127 -15.300 -10.319
23 HA SER 6 HA SER 6 -7.393 -17.402 -8.786
24 HB2 SER 6 1HB SER 6 -4.403 -17.372 -9.248
25 HB3 SER 6 2HB SER 6 -5.194 -18.305 -7.978
26 HG SER 6 HG SER 6 -5.833 -18.546 -10.729
27 H GLY 7 H GLY 7 -7.255 -17.089 -6.541
28 HA2 GLY 7 1HA GLY 7 -5.946 -15.803 -4.779
29 HA3 GLY 7 2HA GLY 7 -6.283 -14.406 -5.790
30 H THR 8 H THR 8 -7.061 -15.274 -2.970
31 HA THR 8 HA THR 8 -9.967 -14.877 -3.280
32 HB THR 8 HB THR 8 -10.236 -15.967 -1.071
33 HG1 THR 8 HG1 THR 8 -7.898 -15.528 -0.540
34 HG21 THR 8 3HG2 THR 8 -10.691 -17.503 -2.712
35 HG22 THR 8 1HG2 THR 8 -9.328 -18.298 -1.926
36 HG23 THR 8 2HG2 THR 8 -9.079 -17.390 -3.418
37 H GLY 9 H GLY 9 -10.395 -12.792 -2.908
38 HA2 GLY 9 1HA GLY 9 -10.657 -10.856 -1.681
39 HA3 GLY 9 2HA GLY 9 -9.854 -11.657 -0.338
40 H GLU 10 H GLU 10 -9.347 -9.853 -3.315
41 HA GLU 10 HA GLU 10 -6.578 -9.690 -3.318
42 HB2 GLU 10 1HB GLU 10 -8.040 -8.872 -5.140
43 HB3 GLU 10 2HB GLU 10 -8.525 -7.522 -4.123
44 HG2 GLU 10 1HG GLU 10 -6.193 -6.752 -4.066
45 HG3 GLU 10 2HG GLU 10 -5.747 -8.077 -5.139
46 H LYS 11 H LYS 11 -5.121 -8.080 -2.579
47 HA LYS 11 HA LYS 11 -5.192 -7.437 0.068
48 HB2 LYS 11 1HB LYS 11 -3.745 -6.314 -2.274
49 HB3 LYS 11 2HB LYS 11 -3.702 -5.383 -0.782
50 HG2 LYS 11 1HG LYS 11 -1.796 -6.713 -0.687
51 HG3 LYS 11 2HG LYS 11 -2.959 -7.555 0.340
52 HD2 LYS 11 1HD LYS 11 -2.108 -9.289 -0.925
53 HD3 LYS 11 2HD LYS 11 -3.543 -8.842 -1.851
54 HE2 LYS 11 1HE LYS 11 -2.024 -7.341 -3.214
55 HE3 LYS 11 2HE LYS 11 -0.671 -8.143 -2.419
56 HZ1 LYS 11 3HZ LYS 11 -1.306 -10.214 -3.351
57 HZ2 LYS 11 1HZ LYS 11 -1.308 -9.091 -4.616
58 HZ3 LYS 11 2HZ LYS 11 -2.769 -9.595 -3.930
59 HA PRO 12 HA PRO 12 -8.568 -4.443 -0.039
60 HB2 PRO 12 1HB PRO 12 -8.962 -4.468 2.647
61 HB3 PRO 12 2HB PRO 12 -9.605 -5.713 1.570
62 HG2 PRO 12 1HG PRO 12 -7.153 -5.775 3.287
63 HG3 PRO 12 2HG PRO 12 -8.372 -7.037 3.031
64 HD2 PRO 12 1HD PRO 12 -5.975 -7.050 1.771
65 HD3 PRO 12 2HD PRO 12 -7.450 -7.697 1.024
66 H TYR 13 H TYR 13 -5.415 -4.196 0.868
67 HA TYR 13 HA TYR 13 -5.767 -1.397 1.708
68 HB2 TYR 13 1HB TYR 13 -3.988 -3.514 2.872
69 HB3 TYR 13 2HB TYR 13 -3.516 -1.821 2.961
70 HD1 TYR 13 HD2 TYR 13 -4.817 -0.237 4.303
71 HD2 TYR 13 HD1 TYR 13 -5.822 -4.369 4.185
72 HE1 TYR 13 HE2 TYR 13 -6.224 0.054 6.300
73 HE2 TYR 13 HE1 TYR 13 -7.233 -4.090 6.180
74 HH TYR 13 HH TYR 13 -8.165 -1.071 7.363
75 H ASN 14 H ASN 14 -4.207 0.077 0.980
76 HA ASN 14 HA ASN 14 -2.103 -0.850 -0.792
77 HB2 ASN 14 1HB ASN 14 -4.285 0.993 -1.793
78 HB3 ASN 14 2HB ASN 14 -2.841 0.524 -2.686
79 HD21 ASN 14 1HD2 ASN 14 -5.697 -0.813 -1.091
80 HD22 ASN 14 2HD2 ASN 14 -5.898 -2.141 -2.177
81 H CYS 15 H CYS 15 -0.628 0.868 -1.420
82 HA CYS 15 HA CYS 15 -0.563 2.993 0.603
83 HB2 CYS 15 1HB CYS 15 1.369 1.354 0.341
84 HB3 CYS 15 2HB CYS 15 1.708 2.147 -1.194
85 H GLU 16 H GLU 16 -1.905 4.513 -0.357
86 HA GLU 16 HA GLU 16 -1.956 5.315 -2.999
87 HB2 GLU 16 1HB GLU 16 -3.506 6.026 -1.120
88 HB3 GLU 16 2HB GLU 16 -2.282 7.205 -0.670
89 HG2 GLU 16 1HG GLU 16 -2.459 8.202 -2.917
90 HG3 GLU 16 2HG GLU 16 -3.749 7.061 -3.293
91 H GLU 17 H GLU 17 0.538 5.722 -0.722
92 HA GLU 17 HA GLU 17 1.702 8.116 -1.683
93 HB2 GLU 17 1HB GLU 17 3.092 5.796 -0.334
94 HB3 GLU 17 2HB GLU 17 3.680 7.449 -0.445
95 HG2 GLU 17 1HG GLU 17 1.369 6.404 1.156
96 HG3 GLU 17 2HG GLU 17 2.836 7.192 1.734
97 H CYS 18 H CYS 18 2.558 4.704 -2.268
98 HA CYS 18 HA CYS 18 3.988 5.568 -4.693
99 HB2 CYS 18 1HB CYS 18 5.096 3.282 -4.500
100 HB3 CYS 18 2HB CYS 18 5.524 4.463 -3.266
101 H GLY 19 H GLY 19 1.842 3.044 -3.407
102 HA2 GLY 19 1HA GLY 19 -0.149 2.614 -4.856
103 HA3 GLY 19 2HA GLY 19 0.994 2.502 -6.187
104 H LYS 20 H LYS 20 1.430 1.181 -2.946
105 HA LYS 20 HA LYS 20 1.802 -1.461 -4.128
106 HB2 LYS 20 1HB LYS 20 3.406 -0.354 -2.440
107 HB3 LYS 20 2HB LYS 20 2.198 -0.761 -1.228
108 HG2 LYS 20 1HG LYS 20 2.597 -3.007 -1.381
109 HG3 LYS 20 2HG LYS 20 3.159 -2.905 -3.051
110 HD2 LYS 20 1HD LYS 20 4.755 -1.559 -0.927
111 HD3 LYS 20 2HD LYS 20 4.839 -3.317 -1.058
112 HE2 LYS 20 1HE LYS 20 6.567 -2.643 -2.435
113 HE3 LYS 20 2HE LYS 20 5.242 -2.849 -3.580
114 HZ1 LYS 20 3HZ LYS 20 4.888 -0.518 -3.640
115 HZ2 LYS 20 1HZ LYS 20 6.548 -0.765 -3.855
116 HZ3 LYS 20 2HZ LYS 20 5.956 -0.243 -2.358
117 H ALA 21 H ALA 21 1.076 -3.292 -2.490
118 HA ALA 21 HA ALA 21 -1.647 -2.727 -1.545
119 HB1 ALA 21 3HB ALA 21 -1.018 -4.227 -3.856
120 HB2 ALA 21 1HB ALA 21 -1.586 -5.361 -2.630
121 HB3 ALA 21 2HB ALA 21 -2.594 -3.993 -3.100
122 H PHE 22 H PHE 22 -2.247 -3.784 0.290
123 HA PHE 22 HA PHE 22 -0.436 -5.835 1.355
124 HB2 PHE 22 1HB PHE 22 -1.436 -3.391 2.825
125 HB3 PHE 22 2HB PHE 22 -0.694 -4.774 3.622
126 HD1 PHE 22 HD1 PHE 22 1.676 -5.239 3.359
127 HD2 PHE 22 HD2 PHE 22 -0.128 -1.843 1.535
128 HE1 PHE 22 HE1 PHE 22 3.904 -4.265 2.978
129 HE2 PHE 22 HE2 PHE 22 2.097 -0.864 1.150
130 HZ PHE 22 HZ PHE 22 4.116 -2.076 1.870
131 H ILE 23 H ILE 23 -1.385 -7.303 2.826
132 HA ILE 23 HA ILE 23 -4.192 -7.753 2.340
133 HB ILE 23 HB ILE 23 -2.239 -9.306 4.041
134 HG12 ILE 23 1HG1 ILE 23 -3.330 -9.999 1.312
135 HG13 ILE 23 2HG1 ILE 23 -1.792 -9.178 1.551
136 HG21 ILE 23 1HG2 ILE 23 -4.480 -9.714 4.803
137 HG22 ILE 23 2HG2 ILE 23 -5.042 -9.959 3.150
138 HG23 ILE 23 3HG2 ILE 23 -3.931 -11.115 3.884
139 HD11 ILE 23 3HD1 ILE 23 -1.275 -11.444 1.261
140 HD12 ILE 23 1HD1 ILE 23 -1.130 -11.148 2.994
141 HD13 ILE 23 2HD1 ILE 23 -2.558 -11.962 2.354
142 H HIS 24 H HIS 24 -2.151 -6.977 5.129
143 HA HIS 24 HA HIS 24 -4.599 -6.362 6.651
144 HB2 HIS 24 1HB HIS 24 -1.904 -7.313 7.633
145 HB3 HIS 24 2HB HIS 24 -3.180 -6.726 8.695
146 HD2 HIS 24 HD2 HIS 24 -2.395 -9.837 6.454
147 HE1 HIS 24 HE1 HIS 24 -5.751 -10.719 8.895
148 HE2 HIS 24 HE2 HIS 24 -4.025 -11.652 7.316
149 H ASP 25 H ASP 25 -4.429 -4.579 8.186
150 HA ASP 25 HA ASP 25 -3.430 -2.241 7.005
151 HB2 ASP 25 1HB ASP 25 -5.280 -2.113 8.538
152 HB3 ASP 25 2HB ASP 25 -4.314 -2.799 9.841
153 H SER 26 H SER 26 -2.379 -3.590 10.136
154 HA SER 26 HA SER 26 -0.180 -2.156 10.660
155 HB2 SER 26 1HB SER 26 0.848 -4.225 11.650
156 HB3 SER 26 2HB SER 26 -0.826 -3.950 12.131
157 HG SER 26 HG SER 26 -0.789 -6.041 11.545
158 H GLN 27 H GLN 27 -0.355 -4.741 8.262
159 HA GLN 27 HA GLN 27 2.362 -4.859 7.597
160 HB2 GLN 27 1HB GLN 27 -0.129 -5.462 6.011
161 HB3 GLN 27 2HB GLN 27 1.485 -5.720 5.362
162 HG2 GLN 27 1HG GLN 27 1.853 -7.108 7.521
163 HG3 GLN 27 2HG GLN 27 0.091 -7.141 7.584
164 HE21 GLN 27 1HE2 GLN 27 -1.053 -8.173 5.916
165 HE22 GLN 27 2HE2 GLN 27 -0.297 -9.345 4.897
166 H LEU 28 H LEU 28 -0.267 -2.922 6.200
167 HA LEU 28 HA LEU 28 1.351 -1.642 4.255
168 HB2 LEU 28 1HB LEU 28 -0.953 -1.648 3.839
169 HB3 LEU 28 2HB LEU 28 -1.334 -1.050 5.453
170 HG LEU 28 HG LEU 28 -0.361 1.145 4.807
171 HD11 LEU 28 1HD1 LEU 28 0.513 1.592 2.767
172 HD12 LEU 28 2HD1 LEU 28 -0.519 0.424 1.943
173 HD13 LEU 28 3HD1 LEU 28 0.900 -0.128 2.831
174 HD21 LEU 28 3HD2 LEU 28 -2.838 0.017 4.113
175 HD22 LEU 28 1HD2 LEU 28 -2.324 0.979 2.727
176 HD23 LEU 28 2HD2 LEU 28 -2.447 1.725 4.321
177 H GLN 29 H GLN 29 0.086 -0.523 7.393
178 HA GLN 29 HA GLN 29 1.200 1.997 7.450
179 HB2 GLN 29 1HB GLN 29 0.757 0.045 9.711
180 HB3 GLN 29 2HB GLN 29 1.207 1.727 9.954
181 HG2 GLN 29 1HG GLN 29 -1.301 0.938 10.027
182 HG3 GLN 29 2HG GLN 29 -0.843 2.510 9.374
183 HE21 GLN 29 1HE2 GLN 29 -0.739 2.759 7.092
184 HE22 GLN 29 2HE2 GLN 29 -1.668 1.738 6.053
185 H GLU 30 H GLU 30 2.671 -1.052 8.534
186 HA GLU 30 HA GLU 30 5.079 -0.019 9.475
187 HB2 GLU 30 1HB GLU 30 4.552 -2.288 9.956
188 HB3 GLU 30 2HB GLU 30 4.394 -2.686 8.251
189 HG2 GLU 30 1HG GLU 30 6.437 -3.608 8.984
190 HG3 GLU 30 2HG GLU 30 6.838 -2.197 8.005
191 H HIS 31 H HIS 31 3.907 -0.276 6.272
192 HA HIS 31 HA HIS 31 6.563 -0.087 5.082
193 HB2 HIS 31 1HB HIS 31 5.271 -1.477 3.756
194 HB3 HIS 31 2HB HIS 31 3.801 -0.547 4.029
195 HD1 HIS 31 HD1 HIS 31 6.887 -0.630 1.904
196 HD2 HIS 31 HD2 HIS 31 3.359 1.540 2.239
197 HE1 HIS 31 HE1 HIS 31 6.756 0.768 -0.183
198 H GLN 32 H GLN 32 3.511 1.757 4.960
199 HA GLN 32 HA GLN 32 4.170 3.939 3.546
200 HB2 GLN 32 1HB GLN 32 2.623 3.747 6.117
201 HB3 GLN 32 2HB GLN 32 2.807 5.282 5.278
202 HG2 GLN 32 1HG GLN 32 1.922 3.961 3.224
203 HG3 GLN 32 2HG GLN 32 1.327 2.833 4.440
204 HE21 GLN 32 1HE2 GLN 32 -0.723 3.555 3.370
205 HE22 GLN 32 2HE2 GLN 32 -1.520 4.931 4.043
206 H ARG 33 H ARG 33 5.497 3.075 6.636
207 HA ARG 33 HA ARG 33 6.499 5.447 7.590
208 HB2 ARG 33 1HB ARG 33 8.156 2.936 7.598
209 HB3 ARG 33 2HB ARG 33 8.063 4.190 8.827
210 HG2 ARG 33 1HG ARG 33 5.553 3.412 8.955
211 HG3 ARG 33 2HG ARG 33 6.221 1.925 8.279
212 HD2 ARG 33 1HD ARG 33 7.694 1.651 10.121
213 HD3 ARG 33 2HD ARG 33 7.356 3.275 10.717
214 HE ARG 33 HE ARG 33 5.068 1.514 10.600
215 HH11 ARG 33 1HH1 ARG 33 7.700 2.738 12.521
216 HH12 ARG 33 2HH1 ARG 33 6.947 2.354 14.034
217 HH21 ARG 33 1HH2 ARG 33 4.066 1.003 12.585
218 HH22 ARG 33 2HH2 ARG 33 4.880 1.367 14.068
219 H ILE 34 H ILE 34 8.004 3.294 5.195
220 HA ILE 34 HA ILE 34 10.392 4.567 4.774
221 HB ILE 34 HB ILE 34 10.421 3.666 2.540
222 HG12 ILE 34 1HG1 ILE 34 7.586 2.746 2.713
223 HG13 ILE 34 2HG1 ILE 34 7.891 4.418 2.254
224 HG21 ILE 34 1HG2 ILE 34 10.851 1.854 3.811
225 HG22 ILE 34 2HG2 ILE 34 9.402 2.066 4.792
226 HG23 ILE 34 3HG2 ILE 34 9.288 1.313 3.201
227 HD11 ILE 34 3HD1 ILE 34 8.988 1.987 0.860
228 HD12 ILE 34 1HD1 ILE 34 7.636 2.976 0.310
229 HD13 ILE 34 2HD1 ILE 34 9.258 3.666 0.390
230 H HIS 35 H HIS 35 7.245 5.748 4.080
231 HA HIS 35 HA HIS 35 8.200 7.772 2.218
232 HB2 HIS 35 1HB HIS 35 5.441 7.208 3.323
233 HB3 HIS 35 2HB HIS 35 5.806 8.466 2.146
234 HD1 HIS 35 HD1 HIS 35 5.925 7.781 -0.270
235 HD2 HIS 35 HD2 HIS 35 5.794 4.530 2.313
236 HE1 HIS 35 HE1 HIS 35 5.620 5.765 -1.742
237 H THR 36 H THR 36 6.467 7.723 5.335
238 HA THR 36 HA THR 36 6.315 10.323 5.993
239 HB THR 36 HB THR 36 6.414 9.765 8.298
240 HG1 THR 36 HG1 THR 36 7.361 7.665 8.903
241 HG21 THR 36 3HG2 THR 36 4.960 7.892 8.458
242 HG22 THR 36 1HG2 THR 36 5.587 7.190 6.968
243 HG23 THR 36 2HG2 THR 36 4.614 8.660 6.909
244 H GLY 37 H GLY 37 7.837 11.755 5.302
245 HA2 GLY 37 1HA GLY 37 9.709 13.039 6.169
246 HA3 GLY 37 2HA GLY 37 10.495 11.517 6.562
247 H GLU 38 H GLU 38 9.137 13.185 3.716
248 HA GLU 38 HA GLU 38 11.444 12.192 2.175
249 HB2 GLU 38 1HB GLU 38 9.952 12.552 0.166
250 HB3 GLU 38 2HB GLU 38 9.479 11.245 1.241
251 HG2 GLU 38 1HG GLU 38 8.288 13.991 1.437
252 HG3 GLU 38 2HG GLU 38 7.638 12.749 0.368
253 H LYS 39 H LYS 39 12.779 13.632 1.278
254 HA LYS 39 HA LYS 39 12.213 16.464 1.672
255 HB2 LYS 39 1HB LYS 39 14.685 14.889 1.012
256 HB3 LYS 39 2HB LYS 39 14.645 16.632 0.780
257 HG2 LYS 39 1HG LYS 39 15.582 16.341 2.893
258 HG3 LYS 39 2HG LYS 39 13.900 16.767 3.216
259 HD2 LYS 39 1HD LYS 39 13.464 14.251 3.305
260 HD3 LYS 39 2HD LYS 39 15.218 14.070 3.390
261 HE2 LYS 39 1HE LYS 39 13.870 15.956 5.262
262 HE3 LYS 39 2HE LYS 39 13.754 14.225 5.572
263 HZ1 LYS 39 3HZ LYS 39 15.632 15.080 6.737
264 HZ2 LYS 39 1HZ LYS 39 16.237 15.834 5.348
265 HZ3 LYS 39 2HZ LYS 39 16.213 14.146 5.452
266 HA PRO 40 HA PRO 40 11.104 17.221 -2.520
267 HB2 PRO 40 1HB PRO 40 11.724 19.860 -2.663
268 HB3 PRO 40 2HB PRO 40 10.314 19.251 -1.788
269 HG2 PRO 40 1HG PRO 40 12.995 20.060 -0.730
270 HG3 PRO 40 2HG PRO 40 11.383 20.407 -0.078
271 HD2 PRO 40 1HD PRO 40 12.967 18.449 0.918
272 HD3 PRO 40 2HD PRO 40 11.196 18.331 0.905
273 H SER 41 H SER 41 12.226 18.977 -4.272
274 HA SER 41 HA SER 41 14.600 17.571 -5.070
275 HB2 SER 41 1HB SER 41 13.083 19.886 -6.282
276 HB3 SER 41 2HB SER 41 14.537 19.202 -7.009
277 HG SER 41 HG SER 41 12.046 17.935 -6.555
278 H GLY 42 H GLY 42 15.745 18.253 -3.031
279 HA2 GLY 42 1HA GLY 42 17.557 19.383 -2.169
280 HA3 GLY 42 2HA GLY 42 17.634 20.290 -3.673
281 HA PRO 43 HA PRO 43 14.607 22.592 -0.641
282 HB2 PRO 43 1HB PRO 43 14.931 21.961 1.980
283 HB3 PRO 43 2HB PRO 43 13.770 21.139 0.930
284 HG2 PRO 43 1HG PRO 43 16.508 20.270 1.775
285 HG3 PRO 43 2HG PRO 43 15.016 19.317 1.663
286 HD2 PRO 43 1HD PRO 43 16.938 19.245 -0.243
287 HD3 PRO 43 2HD PRO 43 15.215 19.042 -0.617
288 H SER 44 H SER 44 17.840 21.648 0.401
289 HA SER 44 HA SER 44 18.571 24.462 0.602
290 HB2 SER 44 1HB SER 44 19.192 22.530 2.847
291 HB3 SER 44 2HB SER 44 19.567 24.253 2.792
292 HG SER 44 HG SER 44 17.568 23.437 3.961
293 H SER 45 H SER 45 20.853 24.833 0.510
294 HA SER 45 HA SER 45 22.209 22.861 -1.104
295 HB2 SER 45 1HB SER 45 22.839 25.674 -0.243
296 HB3 SER 45 2HB SER 45 24.066 24.671 -1.016
297 HG SER 45 HG SER 45 23.145 25.507 -2.742
298 H GLY 46 H GLY 46 23.101 21.174 -0.095
299 HA2 GLY 46 1HA GLY 46 25.383 21.170 1.340
300 HA3 GLY 46 2HA GLY 46 24.168 21.418 2.586
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.262 -0.871 -32.202
2 HA2 GLY 1 1HA GLY 1 -9.520 -0.530 -29.912
3 HA3 GLY 1 2HA GLY 1 -11.271 -0.677 -29.902
4 H SER 2 H SER 2 -8.519 -1.715 -28.441
5 HA SER 2 HA SER 2 -9.872 -4.119 -27.419
6 HB2 SER 2 1HB SER 2 -7.600 -5.190 -27.232
7 HB3 SER 2 2HB SER 2 -8.161 -4.952 -28.887
8 HG SER 2 HG SER 2 -6.469 -3.769 -29.210
9 H SER 3 H SER 3 -10.054 -4.162 -25.277
10 HA SER 3 HA SER 3 -8.281 -2.420 -23.691
11 HB2 SER 3 1HB SER 3 -10.699 -1.657 -23.894
12 HB3 SER 3 2HB SER 3 -11.136 -3.088 -22.961
13 HG SER 3 HG SER 3 -9.458 -2.210 -21.426
14 H GLY 4 H GLY 4 -7.425 -3.235 -21.822
15 HA2 GLY 4 1HA GLY 4 -8.000 -6.084 -21.287
16 HA3 GLY 4 2HA GLY 4 -6.411 -5.357 -21.100
17 H SER 5 H SER 5 -7.382 -6.760 -19.022
18 HA SER 5 HA SER 5 -7.795 -4.668 -17.027
19 HB2 SER 5 1HB SER 5 -10.053 -5.380 -17.413
20 HB3 SER 5 2HB SER 5 -9.587 -7.080 -17.363
21 HG SER 5 HG SER 5 -9.067 -6.791 -15.156
22 H SER 6 H SER 6 -6.734 -5.030 -15.150
23 HA SER 6 HA SER 6 -4.764 -7.068 -15.067
24 HB2 SER 6 1HB SER 6 -4.871 -4.684 -13.921
25 HB3 SER 6 2HB SER 6 -5.566 -5.604 -12.586
26 HG SER 6 HG SER 6 -3.182 -6.446 -13.828
27 H GLY 7 H GLY 7 -4.494 -8.620 -13.272
28 HA2 GLY 7 1HA GLY 7 -7.061 -9.942 -12.730
29 HA3 GLY 7 2HA GLY 7 -5.480 -10.710 -12.688
30 H THR 8 H THR 8 -4.512 -10.970 -10.773
31 HA THR 8 HA THR 8 -5.734 -10.791 -8.368
32 HB THR 8 HB THR 8 -3.568 -11.897 -8.667
33 HG1 THR 8 HG1 THR 8 -2.573 -10.781 -6.675
34 HG21 THR 8 3HG2 THR 8 -2.128 -9.304 -8.364
35 HG22 THR 8 1HG2 THR 8 -2.688 -9.778 -9.967
36 HG23 THR 8 2HG2 THR 8 -1.579 -10.820 -9.077
37 H GLY 9 H GLY 9 -5.582 -9.357 -6.544
38 HA2 GLY 9 1HA GLY 9 -4.556 -7.028 -6.017
39 HA3 GLY 9 2HA GLY 9 -5.540 -6.545 -7.391
40 H GLU 10 H GLU 10 -6.288 -8.829 -4.782
41 HA GLU 10 HA GLU 10 -8.726 -7.297 -4.248
42 HB2 GLU 10 1HB GLU 10 -8.695 -9.830 -4.724
43 HB3 GLU 10 2HB GLU 10 -8.066 -9.994 -3.091
44 HG2 GLU 10 1HG GLU 10 -10.268 -10.239 -2.645
45 HG3 GLU 10 2HG GLU 10 -10.164 -8.483 -2.527
46 H LYS 11 H LYS 11 -5.709 -7.169 -3.188
47 HA LYS 11 HA LYS 11 -5.668 -7.497 -0.453
48 HB2 LYS 11 1HB LYS 11 -4.239 -5.714 -2.356
49 HB3 LYS 11 2HB LYS 11 -4.117 -5.327 -0.645
50 HG2 LYS 11 1HG LYS 11 -2.283 -6.675 -0.966
51 HG3 LYS 11 2HG LYS 11 -3.485 -7.830 -0.386
52 HD2 LYS 11 1HD LYS 11 -4.000 -8.371 -2.771
53 HD3 LYS 11 2HD LYS 11 -2.641 -7.348 -3.241
54 HE2 LYS 11 1HE LYS 11 -2.335 -9.632 -1.313
55 HE3 LYS 11 2HE LYS 11 -2.212 -9.856 -3.057
56 HZ1 LYS 11 3HZ LYS 11 -0.066 -9.381 -2.721
57 HZ2 LYS 11 1HZ LYS 11 -0.340 -8.655 -1.217
58 HZ3 LYS 11 2HZ LYS 11 -0.572 -7.769 -2.639
59 HA PRO 12 HA PRO 12 -8.780 -4.596 0.858
60 HB2 PRO 12 1HB PRO 12 -8.446 -5.011 3.521
61 HB3 PRO 12 2HB PRO 12 -9.315 -6.140 2.474
62 HG2 PRO 12 1HG PRO 12 -6.495 -6.268 3.471
63 HG3 PRO 12 2HG PRO 12 -7.701 -7.563 3.354
64 HD2 PRO 12 1HD PRO 12 -5.725 -7.244 1.531
65 HD3 PRO 12 2HD PRO 12 -7.326 -7.882 1.103
66 H TYR 13 H TYR 13 -5.502 -4.274 0.966
67 HA TYR 13 HA TYR 13 -5.716 -1.559 2.034
68 HB2 TYR 13 1HB TYR 13 -3.776 -3.663 2.981
69 HB3 TYR 13 2HB TYR 13 -3.462 -1.943 3.183
70 HD1 TYR 13 HD2 TYR 13 -4.836 -0.598 4.703
71 HD2 TYR 13 HD1 TYR 13 -5.447 -4.790 4.306
72 HE1 TYR 13 HE2 TYR 13 -6.156 -0.597 6.779
73 HE2 TYR 13 HE1 TYR 13 -6.769 -4.800 6.380
74 HH TYR 13 HH TYR 13 -7.616 -1.816 8.033
75 H ASN 14 H ASN 14 -4.201 -0.096 1.203
76 HA ASN 14 HA ASN 14 -2.232 -1.021 -0.714
77 HB2 ASN 14 1HB ASN 14 -4.609 0.663 -1.519
78 HB3 ASN 14 2HB ASN 14 -3.141 0.543 -2.485
79 HD21 ASN 14 1HD2 ASN 14 -5.978 -1.098 -1.359
80 HD22 ASN 14 2HD2 ASN 14 -5.868 -2.453 -2.425
81 H CYS 15 H CYS 15 -0.909 0.799 -1.561
82 HA CYS 15 HA CYS 15 -0.638 2.867 0.509
83 HB2 CYS 15 1HB CYS 15 1.280 1.264 -0.007
84 HB3 CYS 15 2HB CYS 15 1.440 2.111 -1.542
85 H GLU 16 H GLU 16 -1.283 4.849 0.024
86 HA GLU 16 HA GLU 16 -1.814 5.576 -2.733
87 HB2 GLU 16 1HB GLU 16 -3.234 6.102 -0.574
88 HB3 GLU 16 2HB GLU 16 -2.152 7.482 -0.456
89 HG2 GLU 16 1HG GLU 16 -2.806 7.909 -2.916
90 HG3 GLU 16 2HG GLU 16 -4.163 6.839 -2.569
91 H GLU 17 H GLU 17 0.964 5.296 -1.539
92 HA GLU 17 HA GLU 17 1.940 7.998 -2.195
93 HB2 GLU 17 1HB GLU 17 2.994 5.902 -0.314
94 HB3 GLU 17 2HB GLU 17 4.040 7.169 -0.939
95 HG2 GLU 17 1HG GLU 17 1.451 7.872 0.370
96 HG3 GLU 17 2HG GLU 17 2.867 7.481 1.344
97 H CYS 18 H CYS 18 2.404 4.545 -2.684
98 HA CYS 18 HA CYS 18 4.103 5.174 -5.008
99 HB2 CYS 18 1HB CYS 18 5.246 2.996 -4.619
100 HB3 CYS 18 2HB CYS 18 5.496 4.154 -3.316
101 H GLY 19 H GLY 19 1.886 2.781 -3.589
102 HA2 GLY 19 1HA GLY 19 -0.082 2.249 -5.015
103 HA3 GLY 19 2HA GLY 19 1.060 2.084 -6.340
104 H LYS 20 H LYS 20 1.498 0.915 -3.041
105 HA LYS 20 HA LYS 20 1.720 -1.806 -4.123
106 HB2 LYS 20 1HB LYS 20 3.579 -0.588 -2.732
107 HB3 LYS 20 2HB LYS 20 2.583 -1.047 -1.357
108 HG2 LYS 20 1HG LYS 20 2.739 -3.400 -2.056
109 HG3 LYS 20 2HG LYS 20 3.794 -2.915 -3.385
110 HD2 LYS 20 1HD LYS 20 5.272 -1.859 -1.581
111 HD3 LYS 20 2HD LYS 20 4.325 -2.804 -0.430
112 HE2 LYS 20 1HE LYS 20 6.056 -4.250 -0.844
113 HE3 LYS 20 2HE LYS 20 4.897 -4.777 -2.063
114 HZ1 LYS 20 3HZ LYS 20 6.274 -2.834 -3.339
115 HZ2 LYS 20 1HZ LYS 20 6.577 -4.492 -3.479
116 HZ3 LYS 20 2HZ LYS 20 7.479 -3.556 -2.397
117 H ALA 21 H ALA 21 0.606 -3.523 -3.224
118 HA ALA 21 HA ALA 21 -1.708 -2.765 -1.582
119 HB1 ALA 21 3HB ALA 21 -2.014 -5.406 -2.496
120 HB2 ALA 21 1HB ALA 21 -2.861 -3.961 -3.051
121 HB3 ALA 21 2HB ALA 21 -1.377 -4.476 -3.853
122 H PHE 22 H PHE 22 -2.356 -4.082 0.183
123 HA PHE 22 HA PHE 22 -0.352 -5.962 1.201
124 HB2 PHE 22 1HB PHE 22 -1.471 -3.590 2.700
125 HB3 PHE 22 2HB PHE 22 -0.663 -4.938 3.494
126 HD1 PHE 22 HD2 PHE 22 -0.196 -2.198 1.060
127 HD2 PHE 22 HD1 PHE 22 1.682 -5.079 3.567
128 HE1 PHE 22 HE2 PHE 22 1.979 -1.118 0.665
129 HE2 PHE 22 HE1 PHE 22 3.860 -4.004 3.177
130 HZ PHE 22 HZ PHE 22 4.011 -2.021 1.724
131 H ILE 23 H ILE 23 -1.252 -7.060 3.261
132 HA ILE 23 HA ILE 23 -3.998 -7.886 2.646
133 HB ILE 23 HB ILE 23 -1.824 -9.239 4.242
134 HG12 ILE 23 1HG1 ILE 23 -1.926 -9.224 1.634
135 HG13 ILE 23 2HG1 ILE 23 -1.632 -10.740 2.477
136 HG21 ILE 23 1HG2 ILE 23 -3.630 -11.147 4.147
137 HG22 ILE 23 2HG2 ILE 23 -3.650 -9.941 5.433
138 HG23 ILE 23 3HG2 ILE 23 -4.745 -9.783 4.059
139 HD11 ILE 23 3HD1 ILE 23 -3.462 -10.410 0.532
140 HD12 ILE 23 1HD1 ILE 23 -3.566 -11.639 1.792
141 HD13 ILE 23 2HD1 ILE 23 -4.454 -10.124 1.961
142 H HIS 24 H HIS 24 -1.939 -7.104 5.443
143 HA HIS 24 HA HIS 24 -4.379 -6.537 6.988
144 HB2 HIS 24 1HB HIS 24 -1.589 -7.278 7.873
145 HB3 HIS 24 2HB HIS 24 -2.825 -6.696 8.984
146 HD2 HIS 24 HD2 HIS 24 -1.947 -9.898 6.946
147 HE1 HIS 24 HE1 HIS 24 -5.254 -10.766 9.457
148 HE2 HIS 24 HE2 HIS 24 -3.484 -11.724 7.942
149 H ASP 25 H ASP 25 -4.167 -4.743 8.591
150 HA ASP 25 HA ASP 25 -3.387 -2.356 7.260
151 HB2 ASP 25 1HB ASP 25 -5.289 -2.584 8.906
152 HB3 ASP 25 2HB ASP 25 -4.081 -2.649 10.186
153 H SER 26 H SER 26 -2.183 -3.907 10.237
154 HA SER 26 HA SER 26 -0.135 -2.203 10.871
155 HB2 SER 26 1HB SER 26 -0.062 -5.225 11.058
156 HB3 SER 26 2HB SER 26 0.966 -4.112 11.960
157 HG SER 26 HG SER 26 -0.597 -3.844 13.328
158 H GLN 27 H GLN 27 -0.146 -4.748 8.431
159 HA GLN 27 HA GLN 27 2.582 -4.715 7.794
160 HB2 GLN 27 1HB GLN 27 0.128 -5.440 6.209
161 HB3 GLN 27 2HB GLN 27 1.740 -5.547 5.514
162 HG2 GLN 27 1HG GLN 27 2.206 -6.939 7.708
163 HG3 GLN 27 2HG GLN 27 0.465 -7.198 7.621
164 HE21 GLN 27 1HE2 GLN 27 -0.236 -7.691 5.241
165 HE22 GLN 27 2HE2 GLN 27 0.681 -8.937 4.471
166 H LEU 28 H LEU 28 -0.108 -3.090 6.104
167 HA LEU 28 HA LEU 28 1.428 -1.648 4.290
168 HB2 LEU 28 1HB LEU 28 -0.884 -1.734 3.914
169 HB3 LEU 28 2HB LEU 28 -1.255 -1.144 5.532
170 HG LEU 28 HG LEU 28 -0.256 1.068 4.811
171 HD11 LEU 28 1HD1 LEU 28 0.918 0.934 2.904
172 HD12 LEU 28 2HD1 LEU 28 -0.657 1.116 2.133
173 HD13 LEU 28 3HD1 LEU 28 0.041 -0.489 2.341
174 HD21 LEU 28 3HD2 LEU 28 -2.783 -0.112 3.744
175 HD22 LEU 28 1HD2 LEU 28 -2.327 1.532 3.296
176 HD23 LEU 28 2HD2 LEU 28 -2.553 1.112 4.994
177 H GLN 29 H GLN 29 0.236 -0.643 7.488
178 HA GLN 29 HA GLN 29 1.225 1.935 7.543
179 HB2 GLN 29 1HB GLN 29 0.840 -0.096 9.731
180 HB3 GLN 29 2HB GLN 29 1.408 1.533 10.071
181 HG2 GLN 29 1HG GLN 29 -1.234 0.697 8.919
182 HG3 GLN 29 2HG GLN 29 -0.920 1.529 10.441
183 HE21 GLN 29 1HE2 GLN 29 -1.812 1.896 7.257
184 HE22 GLN 29 2HE2 GLN 29 -1.582 3.601 7.107
185 H GLU 30 H GLU 30 2.873 -1.068 8.479
186 HA GLU 30 HA GLU 30 5.271 0.088 9.345
187 HB2 GLU 30 1HB GLU 30 4.699 -2.241 9.803
188 HB3 GLU 30 2HB GLU 30 4.799 -2.620 8.089
189 HG2 GLU 30 1HG GLU 30 7.090 -2.527 8.057
190 HG3 GLU 30 2HG GLU 30 7.174 -1.458 9.456
191 H HIS 31 H HIS 31 3.943 -0.046 6.250
192 HA HIS 31 HA HIS 31 6.557 0.202 4.940
193 HB2 HIS 31 1HB HIS 31 5.278 -1.363 3.757
194 HB3 HIS 31 2HB HIS 31 3.796 -0.430 3.939
195 HD1 HIS 31 HD1 HIS 31 7.128 -0.145 2.129
196 HD2 HIS 31 HD2 HIS 31 3.163 1.037 1.751
197 HE1 HIS 31 HE1 HIS 31 6.973 0.981 -0.114
198 H GLN 32 H GLN 32 3.382 1.810 5.046
199 HA GLN 32 HA GLN 32 3.917 4.025 3.512
200 HB2 GLN 32 1HB GLN 32 2.208 3.711 5.973
201 HB3 GLN 32 2HB GLN 32 2.271 5.217 5.066
202 HG2 GLN 32 1HG GLN 32 1.664 3.777 3.030
203 HG3 GLN 32 2HG GLN 32 1.205 2.555 4.215
204 HE21 GLN 32 1HE2 GLN 32 -0.830 3.096 2.859
205 HE22 GLN 32 2HE2 GLN 32 -1.893 4.257 3.570
206 H ARG 33 H ARG 33 5.285 3.186 6.531
207 HA ARG 33 HA ARG 33 5.945 5.776 7.476
208 HB2 ARG 33 1HB ARG 33 7.662 4.529 8.846
209 HB3 ARG 33 2HB ARG 33 5.999 3.988 9.042
210 HG2 ARG 33 1HG ARG 33 6.384 2.059 7.707
211 HG3 ARG 33 2HG ARG 33 7.969 2.651 7.206
212 HD2 ARG 33 1HD ARG 33 7.248 2.053 10.067
213 HD3 ARG 33 2HD ARG 33 7.985 0.871 8.986
214 HE ARG 33 HE ARG 33 9.437 3.345 9.153
215 HH11 ARG 33 1HH1 ARG 33 8.941 0.214 10.593
216 HH12 ARG 33 2HH1 ARG 33 10.508 0.161 11.331
217 HH21 ARG 33 1HH2 ARG 33 11.502 3.287 10.119
218 HH22 ARG 33 2HH2 ARG 33 11.964 1.910 11.062
219 H ILE 34 H ILE 34 7.573 3.473 5.365
220 HA ILE 34 HA ILE 34 10.091 4.652 5.237
221 HB ILE 34 HB ILE 34 10.510 3.374 3.342
222 HG12 ILE 34 1HG1 ILE 34 7.550 3.480 2.721
223 HG13 ILE 34 2HG1 ILE 34 8.815 4.379 1.891
224 HG21 ILE 34 1HG2 ILE 34 10.092 1.401 4.274
225 HG22 ILE 34 2HG2 ILE 34 9.045 2.235 5.422
226 HG23 ILE 34 3HG2 ILE 34 8.365 1.548 3.947
227 HD11 ILE 34 3HD1 ILE 34 9.809 2.110 1.309
228 HD12 ILE 34 1HD1 ILE 34 8.264 1.437 1.827
229 HD13 ILE 34 2HD1 ILE 34 8.323 2.583 0.487
230 H HIS 35 H HIS 35 7.078 5.695 3.919
231 HA HIS 35 HA HIS 35 8.247 7.472 1.967
232 HB2 HIS 35 1HB HIS 35 5.427 7.051 2.953
233 HB3 HIS 35 2HB HIS 35 5.846 8.307 1.792
234 HD1 HIS 35 HD1 HIS 35 6.683 7.489 -0.568
235 HD2 HIS 35 HD2 HIS 35 5.224 4.500 1.921
236 HE1 HIS 35 HE1 HIS 35 6.297 5.502 -2.060
237 H THR 36 H THR 36 7.296 7.601 5.286
238 HA THR 36 HA THR 36 7.285 10.510 5.357
239 HB THR 36 HB THR 36 6.460 10.379 7.532
240 HG1 THR 36 HG1 THR 36 7.058 7.654 7.878
241 HG21 THR 36 3HG2 THR 36 5.510 7.828 6.224
242 HG22 THR 36 1HG2 THR 36 4.863 9.439 5.919
243 HG23 THR 36 2HG2 THR 36 4.684 8.704 7.512
244 H GLY 37 H GLY 37 9.725 9.626 4.509
245 HA2 GLY 37 1HA GLY 37 11.682 9.048 6.372
246 HA3 GLY 37 2HA GLY 37 11.958 9.987 4.913
247 H GLU 38 H GLU 38 13.581 10.825 6.639
248 HA GLU 38 HA GLU 38 12.366 13.218 7.842
249 HB2 GLU 38 1HB GLU 38 14.143 11.185 9.108
250 HB3 GLU 38 2HB GLU 38 14.351 12.869 9.569
251 HG2 GLU 38 1HG GLU 38 12.846 12.238 11.140
252 HG3 GLU 38 2HG GLU 38 11.733 12.745 9.870
253 H LYS 39 H LYS 39 13.100 14.843 6.635
254 HA LYS 39 HA LYS 39 15.962 15.257 6.428
255 HB2 LYS 39 1HB LYS 39 15.600 14.003 4.409
256 HB3 LYS 39 2HB LYS 39 14.192 14.974 3.997
257 HG2 LYS 39 1HG LYS 39 15.948 16.935 4.053
258 HG3 LYS 39 2HG LYS 39 17.081 15.616 3.750
259 HD2 LYS 39 1HD LYS 39 15.749 14.943 1.796
260 HD3 LYS 39 2HD LYS 39 14.651 16.293 2.092
261 HE2 LYS 39 1HE LYS 39 16.329 17.886 1.604
262 HE3 LYS 39 2HE LYS 39 17.604 16.670 1.667
263 HZ1 LYS 39 3HZ LYS 39 15.619 16.020 -0.273
264 HZ2 LYS 39 1HZ LYS 39 17.293 16.179 -0.461
265 HZ3 LYS 39 2HZ LYS 39 16.296 17.541 -0.573
266 HA PRO 40 HA PRO 40 14.663 19.414 7.081
267 HB2 PRO 40 1HB PRO 40 16.925 20.691 6.293
268 HB3 PRO 40 2HB PRO 40 16.803 19.806 7.818
269 HG2 PRO 40 1HG PRO 40 17.999 18.938 5.215
270 HG3 PRO 40 2HG PRO 40 18.620 18.715 6.861
271 HD2 PRO 40 1HD PRO 40 17.347 16.747 5.506
272 HD3 PRO 40 2HD PRO 40 17.246 16.911 7.271
273 H SER 41 H SER 41 15.222 21.643 5.743
274 HA SER 41 HA SER 41 14.136 21.138 3.054
275 HB2 SER 41 1HB SER 41 12.660 22.433 4.552
276 HB3 SER 41 2HB SER 41 13.930 23.640 4.748
277 HG SER 41 HG SER 41 13.402 24.465 2.891
278 H GLY 42 H GLY 42 16.663 20.738 2.869
279 HA2 GLY 42 1HA GLY 42 17.673 22.653 1.121
280 HA3 GLY 42 2HA GLY 42 18.361 23.001 2.700
281 HA PRO 43 HA PRO 43 21.500 20.013 2.078
282 HB2 PRO 43 1HB PRO 43 21.797 18.945 4.556
283 HB3 PRO 43 2HB PRO 43 22.324 20.582 4.146
284 HG2 PRO 43 1HG PRO 43 19.826 19.686 5.532
285 HG3 PRO 43 2HG PRO 43 20.894 21.048 5.920
286 HD2 PRO 43 1HD PRO 43 18.557 21.363 4.590
287 HD3 PRO 43 2HD PRO 43 19.968 22.399 4.299
288 H SER 44 H SER 44 21.955 17.787 1.859
289 HA SER 44 HA SER 44 19.858 15.888 2.580
290 HB2 SER 44 1HB SER 44 19.929 14.934 0.240
291 HB3 SER 44 2HB SER 44 19.149 16.510 0.377
292 HG SER 44 HG SER 44 20.523 16.687 -1.321
293 H SER 45 H SER 45 20.761 14.154 3.453
294 HA SER 45 HA SER 45 23.522 13.470 2.682
295 HB2 SER 45 1HB SER 45 22.190 12.953 5.351
296 HB3 SER 45 2HB SER 45 23.873 12.627 4.936
297 HG SER 45 HG SER 45 22.836 15.226 4.666
298 H GLY 46 H GLY 46 20.699 11.927 4.238
299 HA2 GLY 46 1HA GLY 46 19.589 10.125 2.941
300 HA3 GLY 46 2HA GLY 46 21.204 9.571 2.525
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -6.451 7.341 -23.928
2 HA2 GLY 1 1HA GLY 1 -6.532 4.827 -23.904
3 HA3 GLY 1 2HA GLY 1 -5.619 4.919 -25.403
4 H SER 2 H SER 2 -5.307 4.241 -22.252
5 HA SER 2 HA SER 2 -2.449 4.539 -22.316
6 HB2 SER 2 1HB SER 2 -3.528 6.774 -21.456
7 HB3 SER 2 2HB SER 2 -3.748 5.864 -19.961
8 HG SER 2 HG SER 2 -1.253 5.997 -21.283
9 H SER 3 H SER 3 -1.452 3.668 -20.268
10 HA SER 3 HA SER 3 -2.542 1.132 -19.699
11 HB2 SER 3 1HB SER 3 -0.384 2.666 -18.228
12 HB3 SER 3 2HB SER 3 -0.719 0.944 -18.041
13 HG SER 3 HG SER 3 0.218 2.295 -20.349
14 H GLY 4 H GLY 4 -2.643 0.439 -17.240
15 HA2 GLY 4 1HA GLY 4 -3.774 2.337 -15.426
16 HA3 GLY 4 2HA GLY 4 -5.014 1.346 -16.179
17 H SER 5 H SER 5 -5.627 -0.274 -14.928
18 HA SER 5 HA SER 5 -4.312 -1.125 -12.629
19 HB2 SER 5 1HB SER 5 -6.743 -1.510 -13.254
20 HB3 SER 5 2HB SER 5 -6.186 -2.853 -14.252
21 HG SER 5 HG SER 5 -5.615 -3.957 -12.483
22 H SER 6 H SER 6 -2.944 -2.796 -12.143
23 HA SER 6 HA SER 6 -1.845 -4.313 -14.417
24 HB2 SER 6 1HB SER 6 -0.318 -3.099 -12.102
25 HB3 SER 6 2HB SER 6 0.379 -4.187 -13.303
26 HG SER 6 HG SER 6 0.726 -1.975 -13.814
27 H GLY 7 H GLY 7 -2.828 -6.245 -14.058
28 HA2 GLY 7 1HA GLY 7 -2.761 -8.393 -13.135
29 HA3 GLY 7 2HA GLY 7 -1.924 -7.740 -11.734
30 H THR 8 H THR 8 -3.470 -9.223 -10.635
31 HA THR 8 HA THR 8 -5.982 -7.790 -10.078
32 HB THR 8 HB THR 8 -5.678 -10.798 -10.178
33 HG1 THR 8 HG1 THR 8 -6.861 -8.931 -11.968
34 HG21 THR 8 3HG2 THR 8 -7.322 -9.783 -8.520
35 HG22 THR 8 1HG2 THR 8 -7.983 -10.937 -9.679
36 HG23 THR 8 2HG2 THR 8 -8.220 -9.207 -9.924
37 H GLY 9 H GLY 9 -5.444 -6.879 -8.154
38 HA2 GLY 9 1HA GLY 9 -4.351 -8.653 -6.067
39 HA3 GLY 9 2HA GLY 9 -4.192 -6.903 -6.083
40 H GLU 10 H GLU 10 -5.704 -9.360 -4.569
41 HA GLU 10 HA GLU 10 -8.243 -7.970 -4.167
42 HB2 GLU 10 1HB GLU 10 -7.241 -10.728 -3.650
43 HB3 GLU 10 2HB GLU 10 -8.529 -10.117 -2.621
44 HG2 GLU 10 1HG GLU 10 -9.762 -9.547 -4.768
45 HG3 GLU 10 2HG GLU 10 -8.561 -10.543 -5.588
46 H LYS 11 H LYS 11 -5.473 -7.220 -3.081
47 HA LYS 11 HA LYS 11 -5.554 -7.549 -0.267
48 HB2 LYS 11 1HB LYS 11 -4.024 -5.800 -2.152
49 HB3 LYS 11 2HB LYS 11 -3.971 -5.455 -0.428
50 HG2 LYS 11 1HG LYS 11 -2.108 -6.797 -0.807
51 HG3 LYS 11 2HG LYS 11 -3.309 -7.904 -0.138
52 HD2 LYS 11 1HD LYS 11 -3.914 -8.417 -2.575
53 HD3 LYS 11 2HD LYS 11 -2.394 -7.620 -2.986
54 HE2 LYS 11 1HE LYS 11 -1.154 -9.201 -1.654
55 HE3 LYS 11 2HE LYS 11 -2.647 -9.937 -1.072
56 HZ1 LYS 11 3HZ LYS 11 -2.038 -11.360 -2.745
57 HZ2 LYS 11 1HZ LYS 11 -1.389 -10.139 -3.720
58 HZ3 LYS 11 2HZ LYS 11 -3.066 -10.314 -3.589
59 HA PRO 12 HA PRO 12 -8.789 -4.595 0.541
60 HB2 PRO 12 1HB PRO 12 -8.694 -4.812 3.245
61 HB3 PRO 12 2HB PRO 12 -9.462 -6.022 2.211
62 HG2 PRO 12 1HG PRO 12 -6.743 -6.052 3.461
63 HG3 PRO 12 2HG PRO 12 -7.929 -7.363 3.333
64 HD2 PRO 12 1HD PRO 12 -5.799 -7.159 1.674
65 HD3 PRO 12 2HD PRO 12 -7.353 -7.841 1.153
66 H TYR 13 H TYR 13 -5.539 -4.226 0.895
67 HA TYR 13 HA TYR 13 -5.864 -1.474 1.865
68 HB2 TYR 13 1HB TYR 13 -3.899 -3.531 2.843
69 HB3 TYR 13 2HB TYR 13 -3.549 -1.810 2.965
70 HD1 TYR 13 HD2 TYR 13 -4.872 -0.375 4.449
71 HD2 TYR 13 HD1 TYR 13 -5.560 -4.569 4.247
72 HE1 TYR 13 HE2 TYR 13 -6.152 -0.261 6.547
73 HE2 TYR 13 HE1 TYR 13 -6.843 -4.466 6.343
74 HH TYR 13 HH TYR 13 -8.229 -2.377 7.551
75 H ASN 14 H ASN 14 -4.124 -0.032 1.210
76 HA ASN 14 HA ASN 14 -2.236 -0.887 -0.774
77 HB2 ASN 14 1HB ASN 14 -4.271 1.090 -1.766
78 HB3 ASN 14 2HB ASN 14 -3.123 0.126 -2.692
79 HD21 ASN 14 1HD2 ASN 14 -3.581 -2.032 -3.120
80 HD22 ASN 14 2HD2 ASN 14 -5.173 -2.681 -2.949
81 H CYS 15 H CYS 15 -0.772 0.788 -1.398
82 HA CYS 15 HA CYS 15 -0.647 2.937 0.584
83 HB2 CYS 15 1HB CYS 15 1.296 1.330 0.128
84 HB3 CYS 15 2HB CYS 15 1.511 2.199 -1.387
85 H GLU 16 H GLU 16 -1.493 4.823 0.017
86 HA GLU 16 HA GLU 16 -2.039 5.551 -2.674
87 HB2 GLU 16 1HB GLU 16 -3.435 6.361 -0.858
88 HB3 GLU 16 2HB GLU 16 -2.065 7.195 -0.139
89 HG2 GLU 16 1HG GLU 16 -1.933 8.651 -2.105
90 HG3 GLU 16 2HG GLU 16 -3.331 7.829 -2.795
91 H GLU 17 H GLU 17 0.767 5.698 -0.806
92 HA GLU 17 HA GLU 17 1.900 8.059 -1.990
93 HB2 GLU 17 1HB GLU 17 3.042 5.847 -0.290
94 HB3 GLU 17 2HB GLU 17 4.034 7.149 -0.931
95 HG2 GLU 17 1HG GLU 17 1.593 7.665 0.734
96 HG3 GLU 17 2HG GLU 17 3.186 7.404 1.441
97 H CYS 18 H CYS 18 2.456 4.561 -2.332
98 HA CYS 18 HA CYS 18 3.787 5.114 -4.903
99 HB2 CYS 18 1HB CYS 18 4.929 2.924 -4.589
100 HB3 CYS 18 2HB CYS 18 5.334 4.102 -3.344
101 H GLY 19 H GLY 19 1.722 2.762 -3.209
102 HA2 GLY 19 1HA GLY 19 -0.406 2.246 -4.403
103 HA3 GLY 19 2HA GLY 19 0.584 2.040 -5.841
104 H LYS 20 H LYS 20 1.784 0.930 -2.789
105 HA LYS 20 HA LYS 20 1.835 -1.785 -3.776
106 HB2 LYS 20 1HB LYS 20 3.616 -0.458 -2.332
107 HB3 LYS 20 2HB LYS 20 2.659 -1.080 -0.994
108 HG2 LYS 20 1HG LYS 20 3.152 -3.303 -1.522
109 HG3 LYS 20 2HG LYS 20 3.703 -2.887 -3.146
110 HD2 LYS 20 1HD LYS 20 5.585 -1.617 -2.088
111 HD3 LYS 20 2HD LYS 20 5.077 -2.278 -0.532
112 HE2 LYS 20 1HE LYS 20 6.868 -3.624 -1.404
113 HE3 LYS 20 2HE LYS 20 5.374 -4.558 -1.457
114 HZ1 LYS 20 3HZ LYS 20 6.945 -4.513 -3.500
115 HZ2 LYS 20 1HZ LYS 20 6.205 -3.027 -3.826
116 HZ3 LYS 20 2HZ LYS 20 5.272 -4.435 -3.733
117 H ALA 21 H ALA 21 0.335 -3.268 -3.393
118 HA ALA 21 HA ALA 21 -1.856 -2.704 -1.604
119 HB1 ALA 21 3HB ALA 21 -2.910 -3.916 -3.136
120 HB2 ALA 21 1HB ALA 21 -1.381 -4.428 -3.851
121 HB3 ALA 21 2HB ALA 21 -2.081 -5.343 -2.515
122 H PHE 22 H PHE 22 -2.393 -3.779 0.268
123 HA PHE 22 HA PHE 22 -0.457 -5.734 1.299
124 HB2 PHE 22 1HB PHE 22 -1.512 -3.289 2.721
125 HB3 PHE 22 2HB PHE 22 -0.758 -4.637 3.567
126 HD1 PHE 22 HD1 PHE 22 1.619 -5.098 3.305
127 HD2 PHE 22 HD2 PHE 22 -0.215 -1.757 1.411
128 HE1 PHE 22 HE1 PHE 22 3.838 -4.114 2.901
129 HE2 PHE 22 HE2 PHE 22 2.000 -0.768 1.002
130 HZ PHE 22 HZ PHE 22 4.030 -1.946 1.747
131 H ILE 23 H ILE 23 -1.282 -7.229 2.813
132 HA ILE 23 HA ILE 23 -4.068 -7.844 2.417
133 HB ILE 23 HB ILE 23 -2.003 -9.239 4.124
134 HG12 ILE 23 1HG1 ILE 23 -3.067 -10.221 1.493
135 HG13 ILE 23 2HG1 ILE 23 -1.730 -9.078 1.539
136 HG21 ILE 23 1HG2 ILE 23 -3.845 -11.121 3.521
137 HG22 ILE 23 2HG2 ILE 23 -3.846 -10.178 5.010
138 HG23 ILE 23 3HG2 ILE 23 -4.871 -9.694 3.659
139 HD11 ILE 23 3HD1 ILE 23 -1.831 -11.910 2.459
140 HD12 ILE 23 1HD1 ILE 23 -0.650 -11.103 1.428
141 HD13 ILE 23 2HD1 ILE 23 -0.664 -10.792 3.164
142 H HIS 24 H HIS 24 -2.012 -7.008 5.192
143 HA HIS 24 HA HIS 24 -4.460 -6.420 6.723
144 HB2 HIS 24 1HB HIS 24 -1.741 -7.350 7.644
145 HB3 HIS 24 2HB HIS 24 -2.944 -6.689 8.748
146 HD2 HIS 24 HD2 HIS 24 -2.018 -10.009 7.116
147 HE1 HIS 24 HE1 HIS 24 -5.862 -10.516 8.838
148 HE2 HIS 24 HE2 HIS 24 -3.850 -11.675 7.861
149 H ASP 25 H ASP 25 -4.182 -4.674 8.375
150 HA ASP 25 HA ASP 25 -3.225 -2.311 7.105
151 HB2 ASP 25 1HB ASP 25 -5.110 -1.969 8.450
152 HB3 ASP 25 2HB ASP 25 -4.448 -2.913 9.782
153 H SER 26 H SER 26 -2.220 -4.032 10.058
154 HA SER 26 HA SER 26 -0.114 -2.443 10.828
155 HB2 SER 26 1HB SER 26 0.765 -4.352 12.010
156 HB3 SER 26 2HB SER 26 -0.996 -4.443 12.065
157 HG SER 26 HG SER 26 0.026 -5.700 9.882
158 H GLN 27 H GLN 27 -0.375 -4.358 8.013
159 HA GLN 27 HA GLN 27 2.476 -4.596 7.576
160 HB2 GLN 27 1HB GLN 27 0.101 -5.262 5.833
161 HB3 GLN 27 2HB GLN 27 1.773 -5.544 5.366
162 HG2 GLN 27 1HG GLN 27 2.051 -7.055 7.262
163 HG3 GLN 27 2HG GLN 27 0.377 -6.770 7.734
164 HE21 GLN 27 1HE2 GLN 27 2.499 -8.318 5.474
165 HE22 GLN 27 2HE2 GLN 27 1.309 -9.323 4.727
166 H LEU 28 H LEU 28 -0.233 -2.811 6.125
167 HA LEU 28 HA LEU 28 1.342 -1.406 4.241
168 HB2 LEU 28 1HB LEU 28 -0.977 -1.569 3.829
169 HB3 LEU 28 2HB LEU 28 -1.379 -0.921 5.418
170 HG LEU 28 HG LEU 28 -0.423 1.274 4.656
171 HD11 LEU 28 1HD1 LEU 28 0.279 1.647 2.525
172 HD12 LEU 28 2HD1 LEU 28 -0.739 0.378 1.846
173 HD13 LEU 28 3HD1 LEU 28 0.755 -0.044 2.682
174 HD21 LEU 28 3HD2 LEU 28 -2.402 1.628 2.988
175 HD22 LEU 28 1HD2 LEU 28 -2.723 1.276 4.686
176 HD23 LEU 28 2HD2 LEU 28 -2.850 -0.005 3.481
177 H GLN 29 H GLN 29 0.122 -0.544 7.460
178 HA GLN 29 HA GLN 29 1.082 2.083 7.532
179 HB2 GLN 29 1HB GLN 29 0.592 0.095 9.750
180 HB3 GLN 29 2HB GLN 29 1.007 1.780 10.037
181 HG2 GLN 29 1HG GLN 29 -1.444 0.730 8.645
182 HG3 GLN 29 2HG GLN 29 -1.364 1.504 10.227
183 HE21 GLN 29 1HE2 GLN 29 -1.617 1.955 6.863
184 HE22 GLN 29 2HE2 GLN 29 -1.640 3.682 6.858
185 H GLU 30 H GLU 30 2.626 -0.972 8.405
186 HA GLU 30 HA GLU 30 4.992 0.204 9.456
187 HB2 GLU 30 1HB GLU 30 4.161 -2.134 9.917
188 HB3 GLU 30 2HB GLU 30 4.707 -2.572 8.305
189 HG2 GLU 30 1HG GLU 30 6.930 -2.394 8.857
190 HG3 GLU 30 2HG GLU 30 6.619 -1.289 10.195
191 H HIS 31 H HIS 31 3.817 0.079 6.353
192 HA HIS 31 HA HIS 31 6.492 0.033 5.138
193 HB2 HIS 31 1HB HIS 31 5.237 -1.447 3.887
194 HB3 HIS 31 2HB HIS 31 3.745 -0.539 4.113
195 HD1 HIS 31 HD1 HIS 31 6.827 -0.664 1.983
196 HD2 HIS 31 HD2 HIS 31 3.241 1.423 2.204
197 HE1 HIS 31 HE1 HIS 31 6.653 0.604 -0.181
198 H GLN 32 H GLN 32 3.484 1.916 5.213
199 HA GLN 32 HA GLN 32 4.156 3.999 3.548
200 HB2 GLN 32 1HB GLN 32 2.456 3.831 6.008
201 HB3 GLN 32 2HB GLN 32 2.729 5.392 5.246
202 HG2 GLN 32 1HG GLN 32 1.896 4.387 3.108
203 HG3 GLN 32 2HG GLN 32 1.430 2.966 4.042
204 HE21 GLN 32 1HE2 GLN 32 -0.744 3.164 3.722
205 HE22 GLN 32 2HE2 GLN 32 -1.690 4.452 4.380
206 H ARG 33 H ARG 33 5.570 3.167 6.543
207 HA ARG 33 HA ARG 33 6.465 5.689 7.418
208 HB2 ARG 33 1HB ARG 33 8.297 4.262 8.545
209 HB3 ARG 33 2HB ARG 33 6.624 3.992 9.013
210 HG2 ARG 33 1HG ARG 33 6.502 1.967 7.879
211 HG3 ARG 33 2HG ARG 33 7.903 2.339 6.872
212 HD2 ARG 33 1HD ARG 33 8.001 1.873 9.850
213 HD3 ARG 33 2HD ARG 33 8.360 0.650 8.632
214 HE ARG 33 HE ARG 33 10.052 2.825 9.461
215 HH11 ARG 33 1HH1 ARG 33 9.326 0.555 6.923
216 HH12 ARG 33 2HH1 ARG 33 10.914 0.621 6.232
217 HH21 ARG 33 1HH2 ARG 33 12.146 2.920 8.561
218 HH22 ARG 33 2HH2 ARG 33 12.517 1.965 7.165
219 H ILE 34 H ILE 34 7.762 3.386 5.106
220 HA ILE 34 HA ILE 34 10.338 4.391 4.805
221 HB ILE 34 HB ILE 34 10.468 3.244 2.758
222 HG12 ILE 34 1HG1 ILE 34 7.447 3.330 2.596
223 HG13 ILE 34 2HG1 ILE 34 8.536 4.369 1.685
224 HG21 ILE 34 1HG2 ILE 34 8.435 1.398 3.571
225 HG22 ILE 34 2HG2 ILE 34 10.186 1.260 3.711
226 HG23 ILE 34 3HG2 ILE 34 9.258 2.044 4.990
227 HD11 ILE 34 3HD1 ILE 34 9.517 2.268 0.701
228 HD12 ILE 34 1HD1 ILE 34 8.163 1.404 1.429
229 HD13 ILE 34 2HD1 ILE 34 7.864 2.655 0.222
230 H HIS 35 H HIS 35 7.303 5.689 3.775
231 HA HIS 35 HA HIS 35 8.455 7.502 1.843
232 HB2 HIS 35 1HB HIS 35 5.671 7.288 3.002
233 HB3 HIS 35 2HB HIS 35 6.135 8.443 1.756
234 HD1 HIS 35 HD1 HIS 35 6.467 7.545 -0.628
235 HD2 HIS 35 HD2 HIS 35 5.451 4.618 2.140
236 HE1 HIS 35 HE1 HIS 35 5.880 5.511 -1.985
237 H THR 36 H THR 36 7.393 7.587 5.183
238 HA THR 36 HA THR 36 8.256 10.402 5.343
239 HB THR 36 HB THR 36 5.869 10.083 5.884
240 HG1 THR 36 HG1 THR 36 7.746 11.012 7.734
241 HG21 THR 36 3HG2 THR 36 6.527 7.730 6.970
242 HG22 THR 36 1HG2 THR 36 5.074 8.616 7.434
243 HG23 THR 36 2HG2 THR 36 6.526 8.716 8.432
244 H GLY 37 H GLY 37 10.453 9.767 5.658
245 HA2 GLY 37 1HA GLY 37 10.963 8.866 8.417
246 HA3 GLY 37 2HA GLY 37 11.844 8.146 7.078
247 H GLU 38 H GLU 38 13.333 9.446 5.894
248 HA GLU 38 HA GLU 38 14.542 11.508 7.559
249 HB2 GLU 38 1HB GLU 38 15.874 9.622 6.536
250 HB3 GLU 38 2HB GLU 38 15.592 10.367 4.969
251 HG2 GLU 38 1HG GLU 38 16.724 12.399 5.745
252 HG3 GLU 38 2HG GLU 38 17.037 11.618 7.294
253 H LYS 39 H LYS 39 12.888 13.102 7.173
254 HA LYS 39 HA LYS 39 13.335 14.539 4.652
255 HB2 LYS 39 1HB LYS 39 10.724 13.690 5.844
256 HB3 LYS 39 2HB LYS 39 10.806 15.196 4.939
257 HG2 LYS 39 1HG LYS 39 11.415 14.090 2.953
258 HG3 LYS 39 2HG LYS 39 11.773 12.588 3.809
259 HD2 LYS 39 1HD LYS 39 9.520 12.094 4.134
260 HD3 LYS 39 2HD LYS 39 9.017 13.764 3.866
261 HE2 LYS 39 1HE LYS 39 8.383 12.467 1.954
262 HE3 LYS 39 2HE LYS 39 9.713 13.527 1.490
263 HZ1 LYS 39 3HZ LYS 39 9.641 10.906 0.982
264 HZ2 LYS 39 1HZ LYS 39 10.500 10.908 2.440
265 HZ3 LYS 39 2HZ LYS 39 11.071 11.799 1.120
266 HA PRO 40 HA PRO 40 13.914 18.069 7.203
267 HB2 PRO 40 1HB PRO 40 13.162 20.040 5.494
268 HB3 PRO 40 2HB PRO 40 14.675 19.142 5.319
269 HG2 PRO 40 1HG PRO 40 12.071 18.762 3.892
270 HG3 PRO 40 2HG PRO 40 13.719 18.735 3.239
271 HD2 PRO 40 1HD PRO 40 12.328 16.475 3.776
272 HD3 PRO 40 2HD PRO 40 14.094 16.570 3.934
273 H SER 41 H SER 41 12.660 20.314 7.573
274 HA SER 41 HA SER 41 10.150 19.551 8.755
275 HB2 SER 41 1HB SER 41 10.169 21.698 9.800
276 HB3 SER 41 2HB SER 41 11.839 21.131 9.801
277 HG SER 41 HG SER 41 12.313 22.862 8.732
278 H GLY 42 H GLY 42 9.271 19.015 6.536
279 HA2 GLY 42 1HA GLY 42 7.625 19.485 4.996
280 HA3 GLY 42 2HA GLY 42 7.425 21.048 5.775
281 HA PRO 43 HA PRO 43 10.871 21.452 2.366
282 HB2 PRO 43 1HB PRO 43 10.795 19.533 0.447
283 HB3 PRO 43 2HB PRO 43 11.795 19.401 1.898
284 HG2 PRO 43 1HG PRO 43 9.122 18.182 1.323
285 HG3 PRO 43 2HG PRO 43 10.544 17.450 2.090
286 HD2 PRO 43 1HD PRO 43 8.431 18.366 3.513
287 HD3 PRO 43 2HD PRO 43 10.093 18.413 4.135
288 H SER 44 H SER 44 7.758 19.995 1.536
289 HA SER 44 HA SER 44 7.445 21.351 -0.939
290 HB2 SER 44 1HB SER 44 5.215 20.501 -0.948
291 HB3 SER 44 2HB SER 44 6.215 19.258 -0.197
292 HG SER 44 HG SER 44 4.483 21.107 1.071
293 H SER 45 H SER 45 5.423 22.790 -1.258
294 HA SER 45 HA SER 45 5.490 24.894 0.804
295 HB2 SER 45 1HB SER 45 5.085 26.516 -0.956
296 HB3 SER 45 2HB SER 45 6.479 25.529 -1.394
297 HG SER 45 HG SER 45 3.925 24.761 -2.262
298 H GLY 46 H GLY 46 3.622 25.590 1.681
299 HA2 GLY 46 1HA GLY 46 1.101 25.627 0.542
300 HA3 GLY 46 2HA GLY 46 1.256 24.050 1.303
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -6.418 -1.839 -29.852
2 HA2 GLY 1 1HA GLY 1 -7.179 -1.040 -27.109
3 HA3 GLY 1 2HA GLY 1 -7.985 -2.328 -27.992
4 H SER 2 H SER 2 -5.183 -1.417 -26.160
5 HA SER 2 HA SER 2 -4.180 -4.180 -26.303
6 HB2 SER 2 1HB SER 2 -2.796 -1.590 -25.591
7 HB3 SER 2 2HB SER 2 -2.066 -3.174 -25.330
8 HG SER 2 HG SER 2 -1.692 -3.338 -27.398
9 H SER 3 H SER 3 -5.685 -4.990 -24.785
10 HA SER 3 HA SER 3 -4.907 -4.463 -22.021
11 HB2 SER 3 1HB SER 3 -6.874 -3.019 -22.461
12 HB3 SER 3 2HB SER 3 -7.799 -4.449 -22.919
13 HG SER 3 HG SER 3 -7.462 -3.458 -20.503
14 H GLY 4 H GLY 4 -4.999 -6.237 -20.709
15 HA2 GLY 4 1HA GLY 4 -6.563 -8.539 -21.210
16 HA3 GLY 4 2HA GLY 4 -4.942 -8.784 -21.843
17 H SER 5 H SER 5 -5.894 -6.989 -18.947
18 HA SER 5 HA SER 5 -4.402 -8.964 -17.345
19 HB2 SER 5 1HB SER 5 -3.347 -6.644 -17.654
20 HB3 SER 5 2HB SER 5 -4.647 -6.046 -16.623
21 HG SER 5 HG SER 5 -2.908 -6.533 -15.322
22 H SER 6 H SER 6 -5.818 -10.118 -16.214
23 HA SER 6 HA SER 6 -8.071 -8.704 -14.942
24 HB2 SER 6 1HB SER 6 -7.948 -11.569 -15.914
25 HB3 SER 6 2HB SER 6 -9.301 -10.861 -15.033
26 HG SER 6 HG SER 6 -8.313 -9.849 -17.491
27 H GLY 7 H GLY 7 -7.567 -8.401 -12.867
28 HA2 GLY 7 1HA GLY 7 -7.608 -9.585 -10.702
29 HA3 GLY 7 2HA GLY 7 -6.430 -10.694 -11.388
30 H THR 8 H THR 8 -6.906 -7.805 -9.665
31 HA THR 8 HA THR 8 -4.118 -6.970 -10.026
32 HB THR 8 HB THR 8 -6.347 -5.524 -8.581
33 HG1 THR 8 HG1 THR 8 -6.460 -4.270 -10.463
34 HG21 THR 8 3HG2 THR 8 -4.053 -4.015 -9.601
35 HG22 THR 8 1HG2 THR 8 -3.647 -5.156 -8.319
36 HG23 THR 8 2HG2 THR 8 -4.870 -3.917 -8.041
37 H GLY 9 H GLY 9 -6.454 -7.439 -7.363
38 HA2 GLY 9 1HA GLY 9 -4.968 -9.102 -5.774
39 HA3 GLY 9 2HA GLY 9 -4.383 -7.493 -5.378
40 H GLU 10 H GLU 10 -6.094 -9.665 -4.000
41 HA GLU 10 HA GLU 10 -8.565 -8.253 -3.480
42 HB2 GLU 10 1HB GLU 10 -8.066 -10.854 -3.513
43 HB3 GLU 10 2HB GLU 10 -7.674 -10.569 -1.823
44 HG2 GLU 10 1HG GLU 10 -9.834 -10.036 -1.266
45 HG3 GLU 10 2HG GLU 10 -10.249 -9.540 -2.906
46 H LYS 11 H LYS 11 -5.634 -7.474 -2.623
47 HA LYS 11 HA LYS 11 -5.674 -7.351 0.207
48 HB2 LYS 11 1HB LYS 11 -4.049 -6.135 -1.966
49 HB3 LYS 11 2HB LYS 11 -3.998 -5.354 -0.391
50 HG2 LYS 11 1HG LYS 11 -2.192 -6.855 -0.427
51 HG3 LYS 11 2HG LYS 11 -3.430 -7.622 0.570
52 HD2 LYS 11 1HD LYS 11 -2.656 -9.340 -0.820
53 HD3 LYS 11 2HD LYS 11 -4.159 -8.810 -1.579
54 HE2 LYS 11 1HE LYS 11 -2.810 -8.852 -3.416
55 HE3 LYS 11 2HE LYS 11 -2.507 -7.201 -2.877
56 HZ1 LYS 11 3HZ LYS 11 -0.794 -9.583 -2.455
57 HZ2 LYS 11 1HZ LYS 11 -0.556 -8.121 -1.637
58 HZ3 LYS 11 2HZ LYS 11 -0.420 -8.179 -3.321
59 HA PRO 12 HA PRO 12 -8.764 -4.107 0.412
60 HB2 PRO 12 1HB PRO 12 -8.970 -4.147 3.119
61 HB3 PRO 12 2HB PRO 12 -9.755 -5.341 2.078
62 HG2 PRO 12 1HG PRO 12 -7.197 -5.560 3.617
63 HG3 PRO 12 2HG PRO 12 -8.499 -6.750 3.436
64 HD2 PRO 12 1HD PRO 12 -6.200 -6.876 2.010
65 HD3 PRO 12 2HD PRO 12 -7.757 -7.432 1.363
66 H TYR 13 H TYR 13 -5.549 -4.037 1.076
67 HA TYR 13 HA TYR 13 -5.680 -1.223 1.914
68 HB2 TYR 13 1HB TYR 13 -3.950 -3.410 3.047
69 HB3 TYR 13 2HB TYR 13 -3.480 -1.717 3.162
70 HD1 TYR 13 HD2 TYR 13 -4.756 -0.164 4.555
71 HD2 TYR 13 HD1 TYR 13 -5.785 -4.287 4.351
72 HE1 TYR 13 HE2 TYR 13 -6.144 0.089 6.570
73 HE2 TYR 13 HE1 TYR 13 -7.177 -4.046 6.364
74 HH TYR 13 HH TYR 13 -8.234 -1.205 7.537
75 H ASN 14 H ASN 14 -3.994 0.111 1.153
76 HA ASN 14 HA ASN 14 -1.938 -0.935 -0.558
77 HB2 ASN 14 1HB ASN 14 -4.286 0.549 -1.745
78 HB3 ASN 14 2HB ASN 14 -2.731 0.410 -2.560
79 HD21 ASN 14 1HD2 ASN 14 -5.523 -1.328 -1.397
80 HD22 ASN 14 2HD2 ASN 14 -5.281 -2.747 -2.353
81 H CYS 15 H CYS 15 -0.549 0.791 -1.431
82 HA CYS 15 HA CYS 15 -0.523 3.086 0.397
83 HB2 CYS 15 1HB CYS 15 1.471 1.497 0.186
84 HB3 CYS 15 2HB CYS 15 1.735 2.213 -1.401
85 H GLU 16 H GLU 16 -1.372 4.895 -0.379
86 HA GLU 16 HA GLU 16 -1.745 5.347 -3.177
87 HB2 GLU 16 1HB GLU 16 -3.190 6.173 -1.195
88 HB3 GLU 16 2HB GLU 16 -2.008 7.468 -1.065
89 HG2 GLU 16 1HG GLU 16 -3.361 6.883 -3.666
90 HG3 GLU 16 2HG GLU 16 -4.147 7.866 -2.432
91 H GLU 17 H GLU 17 0.870 5.769 -1.119
92 HA GLU 17 HA GLU 17 1.961 8.151 -2.284
93 HB2 GLU 17 1HB GLU 17 3.197 6.007 -0.550
94 HB3 GLU 17 2HB GLU 17 4.038 7.465 -1.058
95 HG2 GLU 17 1HG GLU 17 1.424 7.671 0.366
96 HG3 GLU 17 2HG GLU 17 2.906 7.367 1.270
97 H CYS 18 H CYS 18 2.593 4.674 -2.614
98 HA CYS 18 HA CYS 18 4.124 5.270 -5.062
99 HB2 CYS 18 1HB CYS 18 5.247 3.065 -4.672
100 HB3 CYS 18 2HB CYS 18 5.584 4.270 -3.433
101 H GLY 19 H GLY 19 1.825 3.045 -3.545
102 HA2 GLY 19 1HA GLY 19 -0.144 2.478 -4.925
103 HA3 GLY 19 2HA GLY 19 0.974 2.242 -6.260
104 H LYS 20 H LYS 20 1.659 1.172 -3.001
105 HA LYS 20 HA LYS 20 1.923 -1.550 -3.954
106 HB2 LYS 20 1HB LYS 20 2.714 -0.052 -1.508
107 HB3 LYS 20 2HB LYS 20 2.492 -1.790 -1.357
108 HG2 LYS 20 1HG LYS 20 4.039 -1.888 -3.450
109 HG3 LYS 20 2HG LYS 20 4.511 -0.267 -2.936
110 HD2 LYS 20 1HD LYS 20 6.055 -1.556 -1.816
111 HD3 LYS 20 2HD LYS 20 4.785 -1.415 -0.598
112 HE2 LYS 20 1HE LYS 20 5.227 -3.676 -0.550
113 HE3 LYS 20 2HE LYS 20 3.882 -3.602 -1.687
114 HZ1 LYS 20 3HZ LYS 20 5.154 -4.418 -3.293
115 HZ2 LYS 20 1HZ LYS 20 6.343 -4.730 -2.131
116 HZ3 LYS 20 2HZ LYS 20 6.380 -3.287 -3.012
117 H ALA 21 H ALA 21 1.095 -3.335 -2.474
118 HA ALA 21 HA ALA 21 -1.597 -2.681 -1.473
119 HB1 ALA 21 3HB ALA 21 -2.608 -4.198 -2.777
120 HB2 ALA 21 1HB ALA 21 -1.161 -4.067 -3.777
121 HB3 ALA 21 2HB ALA 21 -1.302 -5.370 -2.596
122 H PHE 22 H PHE 22 -2.363 -3.942 0.253
123 HA PHE 22 HA PHE 22 -0.547 -5.884 1.448
124 HB2 PHE 22 1HB PHE 22 -1.482 -3.381 2.861
125 HB3 PHE 22 2HB PHE 22 -0.752 -4.758 3.679
126 HD1 PHE 22 HD2 PHE 22 -0.158 -1.966 1.377
127 HD2 PHE 22 HD1 PHE 22 1.600 -5.181 3.543
128 HE1 PHE 22 HE2 PHE 22 2.077 -1.032 0.945
129 HE2 PHE 22 HE1 PHE 22 3.837 -4.251 3.115
130 HZ PHE 22 HZ PHE 22 4.078 -2.174 1.813
131 H ILE 23 H ILE 23 -1.544 -7.332 2.868
132 HA ILE 23 HA ILE 23 -4.391 -7.618 2.459
133 HB ILE 23 HB ILE 23 -2.478 -9.351 4.028
134 HG12 ILE 23 1HG1 ILE 23 -3.641 -9.788 1.271
135 HG13 ILE 23 2HG1 ILE 23 -2.022 -9.167 1.570
136 HG21 ILE 23 1HG2 ILE 23 -5.324 -9.324 3.908
137 HG22 ILE 23 2HG2 ILE 23 -4.734 -10.785 3.118
138 HG23 ILE 23 3HG2 ILE 23 -4.263 -10.431 4.779
139 HD11 ILE 23 3HD1 ILE 23 -1.403 -11.230 2.664
140 HD12 ILE 23 1HD1 ILE 23 -3.041 -11.852 2.466
141 HD13 ILE 23 2HD1 ILE 23 -2.032 -11.557 1.049
142 H HIS 24 H HIS 24 -2.195 -7.022 5.167
143 HA HIS 24 HA HIS 24 -4.541 -6.330 6.812
144 HB2 HIS 24 1HB HIS 24 -1.920 -7.587 7.626
145 HB3 HIS 24 2HB HIS 24 -3.042 -6.880 8.785
146 HD2 HIS 24 HD2 HIS 24 -2.586 -10.106 6.713
147 HE1 HIS 24 HE1 HIS 24 -6.227 -10.450 8.863
148 HE2 HIS 24 HE2 HIS 24 -4.491 -11.667 7.503
149 H ASP 25 H ASP 25 -4.534 -4.406 7.883
150 HA ASP 25 HA ASP 25 -3.163 -2.240 6.916
151 HB2 ASP 25 1HB ASP 25 -3.640 -1.269 9.313
152 HB3 ASP 25 2HB ASP 25 -4.972 -1.647 8.225
153 H SER 26 H SER 26 -2.403 -3.923 9.971
154 HA SER 26 HA SER 26 -0.223 -2.638 10.850
155 HB2 SER 26 1HB SER 26 0.601 -4.720 11.781
156 HB3 SER 26 2HB SER 26 -1.161 -4.725 11.848
157 HG SER 26 HG SER 26 -1.225 -6.297 10.422
158 H GLN 27 H GLN 27 -0.201 -4.985 8.190
159 HA GLN 27 HA GLN 27 2.566 -4.911 7.696
160 HB2 GLN 27 1HB GLN 27 0.259 -5.535 5.848
161 HB3 GLN 27 2HB GLN 27 1.950 -5.795 5.439
162 HG2 GLN 27 1HG GLN 27 1.974 -7.196 7.635
163 HG3 GLN 27 2HG GLN 27 0.228 -7.244 7.391
164 HE21 GLN 27 1HE2 GLN 27 -0.616 -8.430 5.722
165 HE22 GLN 27 2HE2 GLN 27 0.324 -9.521 4.767
166 H LEU 28 H LEU 28 -0.098 -3.210 6.048
167 HA LEU 28 HA LEU 28 1.447 -1.722 4.278
168 HB2 LEU 28 1HB LEU 28 -0.898 -1.805 3.964
169 HB3 LEU 28 2HB LEU 28 -1.206 -1.163 5.576
170 HG LEU 28 HG LEU 28 -0.087 0.982 4.729
171 HD11 LEU 28 1HD1 LEU 28 -0.810 -0.167 2.046
172 HD12 LEU 28 2HD1 LEU 28 0.834 -0.161 2.682
173 HD13 LEU 28 3HD1 LEU 28 -0.006 1.363 2.396
174 HD21 LEU 28 3HD2 LEU 28 -2.435 1.022 3.152
175 HD22 LEU 28 1HD2 LEU 28 -2.202 1.644 4.786
176 HD23 LEU 28 2HD2 LEU 28 -2.748 -0.016 4.545
177 H GLN 29 H GLN 29 0.302 -0.842 7.528
178 HA GLN 29 HA GLN 29 1.327 1.724 7.673
179 HB2 GLN 29 1HB GLN 29 1.146 -0.315 9.898
180 HB3 GLN 29 2HB GLN 29 1.337 1.419 10.119
181 HG2 GLN 29 1HG GLN 29 -1.035 -0.061 9.028
182 HG3 GLN 29 2HG GLN 29 -0.940 0.937 10.479
183 HE21 GLN 29 1HE2 GLN 29 -2.780 1.161 8.270
184 HE22 GLN 29 2HE2 GLN 29 -2.559 2.737 7.597
185 H GLU 30 H GLU 30 2.936 -1.357 8.326
186 HA GLU 30 HA GLU 30 5.362 -0.259 9.271
187 HB2 GLU 30 1HB GLU 30 4.810 -2.569 9.716
188 HB3 GLU 30 2HB GLU 30 4.759 -2.931 7.997
189 HG2 GLU 30 1HG GLU 30 7.272 -1.877 9.204
190 HG3 GLU 30 2HG GLU 30 6.840 -3.573 9.417
191 H HIS 31 H HIS 31 3.988 -0.212 6.215
192 HA HIS 31 HA HIS 31 6.591 -0.011 4.869
193 HB2 HIS 31 1HB HIS 31 5.329 -1.494 3.608
194 HB3 HIS 31 2HB HIS 31 3.821 -0.641 3.926
195 HD1 HIS 31 HD1 HIS 31 6.972 -0.292 1.856
196 HD2 HIS 31 HD2 HIS 31 3.067 1.121 1.979
197 HE1 HIS 31 HE1 HIS 31 6.660 1.008 -0.273
198 H GLN 32 H GLN 32 3.445 1.647 5.049
199 HA GLN 32 HA GLN 32 3.985 3.889 3.568
200 HB2 GLN 32 1HB GLN 32 2.345 3.562 6.074
201 HB3 GLN 32 2HB GLN 32 2.403 5.077 5.183
202 HG2 GLN 32 1HG GLN 32 1.629 3.817 3.166
203 HG3 GLN 32 2HG GLN 32 1.383 2.422 4.214
204 HE21 GLN 32 1HE2 GLN 32 -0.155 4.884 2.764
205 HE22 GLN 32 2HE2 GLN 32 -1.491 5.091 3.840
206 H ARG 33 H ARG 33 5.397 2.963 6.547
207 HA ARG 33 HA ARG 33 6.103 5.432 7.644
208 HB2 ARG 33 1HB ARG 33 8.101 4.083 8.574
209 HB3 ARG 33 2HB ARG 33 6.475 3.598 9.035
210 HG2 ARG 33 1HG ARG 33 6.506 1.761 7.531
211 HG3 ARG 33 2HG ARG 33 7.996 2.329 6.775
212 HD2 ARG 33 1HD ARG 33 8.678 0.598 8.196
213 HD3 ARG 33 2HD ARG 33 9.057 2.075 9.081
214 HE ARG 33 HE ARG 33 6.545 1.371 9.917
215 HH11 ARG 33 1HH1 ARG 33 9.672 -0.160 9.860
216 HH12 ARG 33 2HH1 ARG 33 9.375 -1.115 11.275
217 HH21 ARG 33 1HH2 ARG 33 6.143 0.119 11.781
218 HH22 ARG 33 2HH2 ARG 33 7.367 -0.956 12.366
219 H ILE 34 H ILE 34 7.557 3.563 5.055
220 HA ILE 34 HA ILE 34 10.008 4.889 4.850
221 HB ILE 34 HB ILE 34 10.223 3.979 2.679
222 HG12 ILE 34 1HG1 ILE 34 7.227 3.559 2.627
223 HG13 ILE 34 2HG1 ILE 34 8.062 4.877 1.812
224 HG21 ILE 34 1HG2 ILE 34 9.076 2.396 4.802
225 HG22 ILE 34 2HG2 ILE 34 8.708 1.709 3.220
226 HG23 ILE 34 3HG2 ILE 34 10.383 2.003 3.685
227 HD11 ILE 34 3HD1 ILE 34 8.898 2.086 1.231
228 HD12 ILE 34 1HD1 ILE 34 7.396 2.693 0.535
229 HD13 ILE 34 2HD1 ILE 34 8.919 3.514 0.196
230 H HIS 35 H HIS 35 6.825 5.916 4.034
231 HA HIS 35 HA HIS 35 7.804 8.101 2.360
232 HB2 HIS 35 1HB HIS 35 4.964 7.356 3.087
233 HB3 HIS 35 2HB HIS 35 5.449 8.555 1.892
234 HD1 HIS 35 HD1 HIS 35 7.183 7.331 -0.014
235 HD2 HIS 35 HD2 HIS 35 4.288 5.042 1.893
236 HE1 HIS 35 HE1 HIS 35 6.839 5.321 -1.485
237 H THR 36 H THR 36 5.976 7.585 5.357
238 HA THR 36 HA THR 36 5.357 10.120 6.116
239 HB THR 36 HB THR 36 5.426 9.428 8.408
240 HG1 THR 36 HG1 THR 36 6.973 8.169 9.100
241 HG21 THR 36 3HG2 THR 36 4.882 6.873 6.923
242 HG22 THR 36 1HG2 THR 36 3.827 8.276 6.763
243 HG23 THR 36 2HG2 THR 36 4.058 7.522 8.340
244 H GLY 37 H GLY 37 6.745 11.756 5.578
245 HA2 GLY 37 1HA GLY 37 8.364 13.180 6.781
246 HA3 GLY 37 2HA GLY 37 9.352 11.740 6.972
247 H GLU 38 H GLU 38 7.720 13.394 4.262
248 HA GLU 38 HA GLU 38 10.290 13.333 2.824
249 HB2 GLU 38 1HB GLU 38 9.094 12.915 0.742
250 HB3 GLU 38 2HB GLU 38 8.765 11.640 1.906
251 HG2 GLU 38 1HG GLU 38 6.903 13.960 1.639
252 HG3 GLU 38 2HG GLU 38 6.829 12.612 0.505
253 H LYS 39 H LYS 39 9.880 14.801 0.692
254 HA LYS 39 HA LYS 39 10.114 17.395 1.351
255 HB2 LYS 39 1HB LYS 39 8.908 16.124 -1.085
256 HB3 LYS 39 2HB LYS 39 8.976 17.875 -0.944
257 HG2 LYS 39 1HG LYS 39 11.500 17.420 -0.403
258 HG3 LYS 39 2HG LYS 39 11.186 15.908 -1.257
259 HD2 LYS 39 1HD LYS 39 10.347 18.516 -2.460
260 HD3 LYS 39 2HD LYS 39 12.026 17.986 -2.580
261 HE2 LYS 39 1HE LYS 39 11.103 17.134 -4.521
262 HE3 LYS 39 2HE LYS 39 10.995 15.759 -3.423
263 HZ1 LYS 39 3HZ LYS 39 8.945 16.694 -4.858
264 HZ2 LYS 39 1HZ LYS 39 8.705 17.532 -3.408
265 HZ3 LYS 39 2HZ LYS 39 8.767 15.842 -3.407
266 HA PRO 40 HA PRO 40 6.324 18.981 2.901
267 HB2 PRO 40 1HB PRO 40 6.469 21.559 2.063
268 HB3 PRO 40 2HB PRO 40 7.470 20.916 3.370
269 HG2 PRO 40 1HG PRO 40 8.167 21.356 0.492
270 HG3 PRO 40 2HG PRO 40 9.127 21.705 1.941
271 HD2 PRO 40 1HD PRO 40 9.539 19.507 0.415
272 HD3 PRO 40 2HD PRO 40 9.809 19.515 2.169
273 H SER 41 H SER 41 4.402 20.404 2.166
274 HA SER 41 HA SER 41 3.440 19.285 -0.333
275 HB2 SER 41 1HB SER 41 2.088 19.386 1.835
276 HB3 SER 41 2HB SER 41 1.909 21.111 1.520
277 HG SER 41 HG SER 41 1.003 20.496 -0.540
278 H GLY 42 H GLY 42 4.643 20.440 -1.872
279 HA2 GLY 42 1HA GLY 42 5.075 22.161 -3.328
280 HA3 GLY 42 2HA GLY 42 3.455 22.718 -2.936
281 HA PRO 43 HA PRO 43 6.493 24.929 0.131
282 HB2 PRO 43 1HB PRO 43 9.131 24.767 -0.492
283 HB3 PRO 43 2HB PRO 43 8.321 23.608 0.569
284 HG2 PRO 43 1HG PRO 43 9.004 23.362 -2.335
285 HG3 PRO 43 2HG PRO 43 9.169 22.160 -1.041
286 HD2 PRO 43 1HD PRO 43 7.111 22.132 -2.801
287 HD3 PRO 43 2HD PRO 43 6.940 21.582 -1.122
288 H SER 44 H SER 44 7.374 27.039 -0.042
289 HA SER 44 HA SER 44 7.646 29.074 -1.023
290 HB2 SER 44 1HB SER 44 8.816 27.387 -3.249
291 HB3 SER 44 2HB SER 44 8.967 29.140 -3.127
292 HG SER 44 HG SER 44 9.727 27.625 -0.914
293 H SER 45 H SER 45 5.110 27.903 -1.272
294 HA SER 45 HA SER 45 4.260 28.772 -3.955
295 HB2 SER 45 1HB SER 45 3.609 26.510 -3.682
296 HB3 SER 45 2HB SER 45 3.072 26.781 -2.025
297 HG SER 45 HG SER 45 1.394 28.102 -2.894
298 H GLY 46 H GLY 46 3.235 28.778 -0.541
299 HA2 GLY 46 1HA GLY 46 1.850 31.332 -1.088
300 HA3 GLY 46 2HA GLY 46 1.196 30.115 -0.002
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.364 -1.073 -13.647
2 HA2 GLY 1 1HA GLY 1 -8.324 -1.109 -16.377
3 HA3 GLY 1 2HA GLY 1 -6.864 -1.977 -15.926
4 H SER 2 H SER 2 -8.324 -3.540 -17.281
5 HA SER 2 HA SER 2 -9.912 -5.122 -15.367
6 HB2 SER 2 1HB SER 2 -11.104 -3.986 -17.389
7 HB3 SER 2 2HB SER 2 -10.357 -5.274 -18.334
8 HG SER 2 HG SER 2 -12.578 -5.428 -16.996
9 H SER 3 H SER 3 -8.814 -6.870 -14.792
10 HA SER 3 HA SER 3 -7.563 -8.504 -16.869
11 HB2 SER 3 1HB SER 3 -5.657 -7.314 -16.113
12 HB3 SER 3 2HB SER 3 -6.162 -7.420 -14.426
13 HG SER 3 HG SER 3 -5.589 -9.728 -15.950
14 H GLY 4 H GLY 4 -8.011 -10.603 -16.627
15 HA2 GLY 4 1HA GLY 4 -9.533 -11.432 -14.297
16 HA3 GLY 4 2HA GLY 4 -9.255 -12.375 -15.754
17 H SER 5 H SER 5 -7.464 -11.055 -12.972
18 HA SER 5 HA SER 5 -6.274 -13.665 -12.519
19 HB2 SER 5 1HB SER 5 -4.723 -11.266 -13.428
20 HB3 SER 5 2HB SER 5 -3.973 -12.413 -12.319
21 HG SER 5 HG SER 5 -5.267 -13.467 -14.545
22 H SER 6 H SER 6 -5.156 -13.805 -10.460
23 HA SER 6 HA SER 6 -5.178 -11.662 -8.595
24 HB2 SER 6 1HB SER 6 -7.670 -12.468 -8.865
25 HB3 SER 6 2HB SER 6 -7.142 -13.790 -7.824
26 HG SER 6 HG SER 6 -7.263 -12.467 -6.211
27 H GLY 7 H GLY 7 -4.089 -12.168 -6.695
28 HA2 GLY 7 1HA GLY 7 -3.154 -14.955 -6.444
29 HA3 GLY 7 2HA GLY 7 -2.015 -13.618 -6.394
30 H THR 8 H THR 8 -2.926 -15.741 -4.410
31 HA THR 8 HA THR 8 -3.565 -15.913 -2.205
32 HB THR 8 HB THR 8 -2.247 -14.483 -0.707
33 HG1 THR 8 HG1 THR 8 -0.958 -12.824 -1.637
34 HG21 THR 8 3HG2 THR 8 -1.244 -16.412 -2.066
35 HG22 THR 8 1HG2 THR 8 -0.123 -15.261 -1.340
36 HG23 THR 8 2HG2 THR 8 -0.502 -15.159 -3.059
37 H GLY 9 H GLY 9 -5.570 -14.612 -3.671
38 HA2 GLY 9 1HA GLY 9 -7.563 -13.567 -3.149
39 HA3 GLY 9 2HA GLY 9 -6.930 -13.252 -1.540
40 H GLU 10 H GLU 10 -8.290 -11.241 -2.245
41 HA GLU 10 HA GLU 10 -6.710 -9.360 -3.817
42 HB2 GLU 10 1HB GLU 10 -9.176 -9.554 -4.155
43 HB3 GLU 10 2HB GLU 10 -9.409 -8.956 -2.519
44 HG2 GLU 10 1HG GLU 10 -9.724 -7.104 -3.911
45 HG3 GLU 10 2HG GLU 10 -8.111 -6.905 -3.228
46 H LYS 11 H LYS 11 -5.978 -7.372 -3.021
47 HA LYS 11 HA LYS 11 -5.436 -7.385 -0.149
48 HB2 LYS 11 1HB LYS 11 -4.147 -6.170 -2.539
49 HB3 LYS 11 2HB LYS 11 -3.989 -5.309 -1.013
50 HG2 LYS 11 1HG LYS 11 -2.130 -6.612 -0.917
51 HG3 LYS 11 2HG LYS 11 -3.286 -7.693 -0.134
52 HD2 LYS 11 1HD LYS 11 -2.302 -9.114 -1.657
53 HD3 LYS 11 2HD LYS 11 -3.696 -8.539 -2.576
54 HE2 LYS 11 1HE LYS 11 -2.191 -6.773 -3.545
55 HE3 LYS 11 2HE LYS 11 -0.838 -7.605 -2.781
56 HZ1 LYS 11 3HZ LYS 11 -1.354 -9.575 -4.061
57 HZ2 LYS 11 1HZ LYS 11 -1.125 -8.258 -5.099
58 HZ3 LYS 11 2HZ LYS 11 -2.689 -8.811 -4.767
59 HA PRO 12 HA PRO 12 -8.785 -4.372 0.103
60 HB2 PRO 12 1HB PRO 12 -8.978 -4.491 2.809
61 HB3 PRO 12 2HB PRO 12 -9.708 -5.695 1.740
62 HG2 PRO 12 1HG PRO 12 -7.136 -5.827 3.266
63 HG3 PRO 12 2HG PRO 12 -8.379 -7.075 3.057
64 HD2 PRO 12 1HD PRO 12 -6.082 -7.052 1.623
65 HD3 PRO 12 2HD PRO 12 -7.613 -7.666 0.965
66 H TYR 13 H TYR 13 -5.573 -4.166 0.773
67 HA TYR 13 HA TYR 13 -5.839 -1.384 1.686
68 HB2 TYR 13 1HB TYR 13 -4.033 -3.530 2.762
69 HB3 TYR 13 2HB TYR 13 -3.579 -1.834 2.880
70 HD1 TYR 13 HD2 TYR 13 -4.910 -0.287 4.260
71 HD2 TYR 13 HD1 TYR 13 -5.775 -4.451 4.133
72 HE1 TYR 13 HE2 TYR 13 -6.268 -0.061 6.299
73 HE2 TYR 13 HE1 TYR 13 -7.136 -4.237 6.170
74 HH TYR 13 HH TYR 13 -7.099 -2.445 8.228
75 H ASN 14 H ASN 14 -4.314 0.071 0.883
76 HA ASN 14 HA ASN 14 -2.204 -0.834 -0.866
77 HB2 ASN 14 1HB ASN 14 -4.196 1.009 -2.140
78 HB3 ASN 14 2HB ASN 14 -3.006 -0.043 -2.902
79 HD21 ASN 14 1HD2 ASN 14 -3.513 -2.146 -3.326
80 HD22 ASN 14 2HD2 ASN 14 -5.099 -2.801 -3.123
81 H CYS 15 H CYS 15 -0.574 0.620 -0.988
82 HA CYS 15 HA CYS 15 -0.608 2.858 0.762
83 HB2 CYS 15 1HB CYS 15 1.380 1.349 -0.072
84 HB3 CYS 15 2HB CYS 15 1.475 2.541 -1.365
85 H GLU 16 H GLU 16 -1.195 4.893 0.395
86 HA GLU 16 HA GLU 16 -2.015 5.660 -2.288
87 HB2 GLU 16 1HB GLU 16 -3.242 6.097 0.016
88 HB3 GLU 16 2HB GLU 16 -2.204 7.516 0.042
89 HG2 GLU 16 1HG GLU 16 -3.108 8.232 -2.102
90 HG3 GLU 16 2HG GLU 16 -4.135 6.800 -2.153
91 H GLU 17 H GLU 17 0.860 5.422 -1.354
92 HA GLU 17 HA GLU 17 1.704 8.142 -2.114
93 HB2 GLU 17 1HB GLU 17 2.849 6.224 -0.113
94 HB3 GLU 17 2HB GLU 17 3.892 7.403 -0.896
95 HG2 GLU 17 1HG GLU 17 2.060 9.098 -0.129
96 HG3 GLU 17 2HG GLU 17 1.659 7.828 1.027
97 H CYS 18 H CYS 18 2.134 4.702 -2.533
98 HA CYS 18 HA CYS 18 3.851 5.253 -4.863
99 HB2 CYS 18 1HB CYS 18 4.884 2.995 -4.433
100 HB3 CYS 18 2HB CYS 18 5.262 4.224 -3.231
101 H GLY 19 H GLY 19 1.606 2.907 -3.406
102 HA2 GLY 19 1HA GLY 19 -0.379 2.511 -4.950
103 HA3 GLY 19 2HA GLY 19 0.846 2.076 -6.133
104 H LYS 20 H LYS 20 2.444 0.863 -3.845
105 HA LYS 20 HA LYS 20 1.976 -1.780 -4.239
106 HB2 LYS 20 1HB LYS 20 3.743 -0.492 -2.752
107 HB3 LYS 20 2HB LYS 20 2.644 -0.935 -1.452
108 HG2 LYS 20 1HG LYS 20 2.835 -3.322 -2.380
109 HG3 LYS 20 2HG LYS 20 4.248 -2.715 -3.247
110 HD2 LYS 20 1HD LYS 20 5.156 -1.928 -1.056
111 HD3 LYS 20 2HD LYS 20 3.807 -2.744 -0.263
112 HE2 LYS 20 1HE LYS 20 5.667 -4.221 -0.175
113 HE3 LYS 20 2HE LYS 20 4.555 -4.860 -1.384
114 HZ1 LYS 20 3HZ LYS 20 6.665 -4.999 -2.347
115 HZ2 LYS 20 1HZ LYS 20 7.120 -3.456 -1.823
116 HZ3 LYS 20 2HZ LYS 20 5.976 -3.626 -3.056
117 H ALA 21 H ALA 21 0.918 -3.452 -3.037
118 HA ALA 21 HA ALA 21 -1.547 -2.516 -1.721
119 HB1 ALA 21 3HB ALA 21 -0.996 -4.769 -3.583
120 HB2 ALA 21 1HB ALA 21 -2.259 -4.970 -2.368
121 HB3 ALA 21 2HB ALA 21 -2.357 -3.649 -3.533
122 H PHE 22 H PHE 22 -2.422 -3.928 -0.031
123 HA PHE 22 HA PHE 22 -0.513 -5.702 1.270
124 HB2 PHE 22 1HB PHE 22 -1.657 -3.235 2.591
125 HB3 PHE 22 2HB PHE 22 -0.870 -4.543 3.468
126 HD1 PHE 22 HD2 PHE 22 -0.328 -1.953 0.880
127 HD2 PHE 22 HD1 PHE 22 1.461 -4.636 3.658
128 HE1 PHE 22 HE2 PHE 22 1.856 -0.887 0.498
129 HE2 PHE 22 HE1 PHE 22 3.648 -3.574 3.281
130 HZ PHE 22 HZ PHE 22 3.848 -1.698 1.699
131 H ILE 23 H ILE 23 -1.465 -7.074 2.865
132 HA ILE 23 HA ILE 23 -4.281 -7.582 2.336
133 HB ILE 23 HB ILE 23 -2.277 -9.184 3.931
134 HG12 ILE 23 1HG1 ILE 23 -3.462 -9.909 1.260
135 HG13 ILE 23 2HG1 ILE 23 -2.003 -8.931 1.378
136 HG21 ILE 23 1HG2 ILE 23 -4.612 -9.502 4.665
137 HG22 ILE 23 2HG2 ILE 23 -5.043 -9.959 3.018
138 HG23 ILE 23 3HG2 ILE 23 -3.920 -10.955 3.943
139 HD11 ILE 23 3HD1 ILE 23 -1.179 -10.885 2.900
140 HD12 ILE 23 1HD1 ILE 23 -2.426 -11.796 2.050
141 HD13 ILE 23 2HD1 ILE 23 -1.123 -11.027 1.143
142 H HIS 24 H HIS 24 -2.163 -6.730 5.022
143 HA HIS 24 HA HIS 24 -4.561 -6.127 6.622
144 HB2 HIS 24 1HB HIS 24 -1.962 -7.357 7.547
145 HB3 HIS 24 2HB HIS 24 -3.164 -6.690 8.647
146 HD2 HIS 24 HD2 HIS 24 -2.734 -9.761 6.252
147 HE1 HIS 24 HE1 HIS 24 -6.098 -10.426 8.750
148 HE2 HIS 24 HE2 HIS 24 -4.513 -11.446 7.079
149 H ASP 25 H ASP 25 -4.547 -4.236 7.788
150 HA ASP 25 HA ASP 25 -3.227 -2.035 6.847
151 HB2 ASP 25 1HB ASP 25 -5.166 -1.960 8.383
152 HB3 ASP 25 2HB ASP 25 -4.117 -2.455 9.708
153 H SER 26 H SER 26 -2.371 -3.673 9.902
154 HA SER 26 HA SER 26 -0.157 -2.408 10.683
155 HB2 SER 26 1HB SER 26 0.685 -4.465 11.622
156 HB3 SER 26 2HB SER 26 -1.076 -4.507 11.703
157 HG SER 26 HG SER 26 -1.130 -6.046 10.217
158 H GLN 27 H GLN 27 -0.224 -4.768 8.036
159 HA GLN 27 HA GLN 27 2.518 -4.723 7.447
160 HB2 GLN 27 1HB GLN 27 0.235 -5.191 5.522
161 HB3 GLN 27 2HB GLN 27 1.906 -5.690 5.299
162 HG2 GLN 27 1HG GLN 27 1.696 -7.156 7.272
163 HG3 GLN 27 2HG GLN 27 -0.003 -6.704 7.391
164 HE21 GLN 27 1HE2 GLN 27 2.361 -8.542 5.669
165 HE22 GLN 27 2HE2 GLN 27 1.259 -9.435 4.684
166 H LEU 28 H LEU 28 -0.156 -2.966 5.873
167 HA LEU 28 HA LEU 28 1.438 -1.454 4.136
168 HB2 LEU 28 1HB LEU 28 -0.841 -1.527 3.642
169 HB3 LEU 28 2HB LEU 28 -1.304 -1.078 5.282
170 HG LEU 28 HG LEU 28 -0.457 1.211 4.844
171 HD11 LEU 28 1HD1 LEU 28 -0.475 1.226 2.026
172 HD12 LEU 28 2HD1 LEU 28 0.625 -0.057 2.528
173 HD13 LEU 28 3HD1 LEU 28 0.868 1.590 3.110
174 HD21 LEU 28 3HD2 LEU 28 -2.778 0.956 4.626
175 HD22 LEU 28 1HD2 LEU 28 -2.625 0.050 3.120
176 HD23 LEU 28 2HD2 LEU 28 -2.277 1.779 3.148
177 H GLN 29 H GLN 29 -0.059 -0.444 7.214
178 HA GLN 29 HA GLN 29 0.967 2.077 7.445
179 HB2 GLN 29 1HB GLN 29 0.633 0.036 9.649
180 HB3 GLN 29 2HB GLN 29 0.854 1.762 9.906
181 HG2 GLN 29 1HG GLN 29 -1.458 0.445 8.500
182 HG3 GLN 29 2HG GLN 29 -1.477 1.168 10.107
183 HE21 GLN 29 1HE2 GLN 29 -2.621 1.681 7.215
184 HE22 GLN 29 2HE2 GLN 29 -2.517 3.401 7.092
185 H GLU 30 H GLU 30 2.564 -0.948 8.397
186 HA GLU 30 HA GLU 30 4.899 0.199 9.442
187 HB2 GLU 30 1HB GLU 30 4.483 -2.084 9.927
188 HB3 GLU 30 2HB GLU 30 4.330 -2.497 8.225
189 HG2 GLU 30 1HG GLU 30 6.901 -1.507 9.413
190 HG3 GLU 30 2HG GLU 30 6.456 -3.212 9.396
191 H HIS 31 H HIS 31 3.885 -0.407 6.173
192 HA HIS 31 HA HIS 31 6.502 -0.092 5.022
193 HB2 HIS 31 1HB HIS 31 5.098 -1.423 3.711
194 HB3 HIS 31 2HB HIS 31 3.722 -0.343 3.917
195 HD1 HIS 31 HD1 HIS 31 7.032 -0.508 2.087
196 HD2 HIS 31 HD2 HIS 31 3.393 1.489 1.918
197 HE1 HIS 31 HE1 HIS 31 7.083 0.800 -0.060
198 H GLN 32 H GLN 32 3.655 1.936 5.500
199 HA GLN 32 HA GLN 32 4.354 4.131 3.963
200 HB2 GLN 32 1HB GLN 32 2.824 3.911 6.547
201 HB3 GLN 32 2HB GLN 32 3.037 5.449 5.722
202 HG2 GLN 32 1HG GLN 32 1.866 4.652 3.796
203 HG3 GLN 32 2HG GLN 32 1.801 3.018 4.455
204 HE21 GLN 32 1HE2 GLN 32 -0.527 3.794 3.756
205 HE22 GLN 32 2HE2 GLN 32 -1.498 4.359 5.068
206 H ARG 33 H ARG 33 5.948 2.881 6.666
207 HA ARG 33 HA ARG 33 6.958 5.164 7.918
208 HB2 ARG 33 1HB ARG 33 8.438 2.558 7.542
209 HB3 ARG 33 2HB ARG 33 8.678 3.741 8.821
210 HG2 ARG 33 1HG ARG 33 5.992 2.500 8.517
211 HG3 ARG 33 2HG ARG 33 7.297 1.550 9.231
212 HD2 ARG 33 1HD ARG 33 6.322 4.243 10.176
213 HD3 ARG 33 2HD ARG 33 6.015 2.692 10.955
214 HE ARG 33 HE ARG 33 8.697 2.780 10.906
215 HH11 ARG 33 1HH1 ARG 33 6.302 5.096 11.917
216 HH12 ARG 33 2HH1 ARG 33 7.319 5.818 13.120
217 HH21 ARG 33 1HH2 ARG 33 10.045 3.722 12.487
218 HH22 ARG 33 2HH2 ARG 33 9.448 5.036 13.443
219 H ILE 34 H ILE 34 8.289 3.273 5.219
220 HA ILE 34 HA ILE 34 10.630 4.776 4.861
221 HB ILE 34 HB ILE 34 10.810 3.774 2.683
222 HG12 ILE 34 1HG1 ILE 34 8.118 2.503 2.850
223 HG13 ILE 34 2HG1 ILE 34 8.202 4.186 2.344
224 HG21 ILE 34 1HG2 ILE 34 10.086 2.224 5.037
225 HG22 ILE 34 2HG2 ILE 34 9.840 1.343 3.529
226 HG23 ILE 34 3HG2 ILE 34 11.426 2.013 3.910
227 HD11 ILE 34 3HD1 ILE 34 9.004 1.741 0.933
228 HD12 ILE 34 1HD1 ILE 34 8.403 3.275 0.306
229 HD13 ILE 34 2HD1 ILE 34 10.099 3.113 0.765
230 H HIS 35 H HIS 35 7.404 5.620 4.313
231 HA HIS 35 HA HIS 35 8.019 7.570 2.235
232 HB2 HIS 35 1HB HIS 35 5.480 6.582 3.499
233 HB3 HIS 35 2HB HIS 35 5.491 8.078 2.570
234 HD1 HIS 35 HD1 HIS 35 7.162 7.378 0.179
235 HD2 HIS 35 HD2 HIS 35 4.408 4.744 1.834
236 HE1 HIS 35 HE1 HIS 35 6.580 5.768 -1.664
237 H THR 36 H THR 36 8.891 7.648 5.173
238 HA THR 36 HA THR 36 7.655 10.166 6.007
239 HB THR 36 HB THR 36 8.943 9.836 8.119
240 HG1 THR 36 HG1 THR 36 10.359 8.259 8.263
241 HG21 THR 36 3HG2 THR 36 7.427 8.330 9.022
242 HG22 THR 36 1HG2 THR 36 7.419 7.316 7.581
243 HG23 THR 36 2HG2 THR 36 6.589 8.872 7.568
244 H GLY 37 H GLY 37 8.673 11.419 4.317
245 HA2 GLY 37 1HA GLY 37 11.552 11.882 4.788
246 HA3 GLY 37 2HA GLY 37 10.749 12.143 3.247
247 H GLU 38 H GLU 38 9.059 13.851 3.210
248 HA GLU 38 HA GLU 38 10.083 16.290 4.107
249 HB2 GLU 38 1HB GLU 38 7.428 15.437 3.008
250 HB3 GLU 38 2HB GLU 38 7.643 17.076 3.605
251 HG2 GLU 38 1HG GLU 38 9.676 17.167 2.049
252 HG3 GLU 38 2HG GLU 38 8.987 15.731 1.295
253 H LYS 39 H LYS 39 10.477 16.256 6.312
254 HA LYS 39 HA LYS 39 8.171 15.933 8.095
255 HB2 LYS 39 1HB LYS 39 11.142 16.003 8.629
256 HB3 LYS 39 2HB LYS 39 9.930 15.968 9.903
257 HG2 LYS 39 1HG LYS 39 9.112 13.824 9.073
258 HG3 LYS 39 2HG LYS 39 10.319 13.861 7.785
259 HD2 LYS 39 1HD LYS 39 12.095 13.590 9.287
260 HD3 LYS 39 2HD LYS 39 11.108 14.053 10.676
261 HE2 LYS 39 1HE LYS 39 10.573 11.582 9.046
262 HE3 LYS 39 2HE LYS 39 11.651 11.587 10.441
263 HZ1 LYS 39 3HZ LYS 39 9.724 11.037 11.467
264 HZ2 LYS 39 1HZ LYS 39 8.744 11.827 10.337
265 HZ3 LYS 39 2HZ LYS 39 9.545 12.718 11.530
266 HA PRO 40 HA PRO 40 7.797 20.238 8.881
267 HB2 PRO 40 1HB PRO 40 6.945 20.208 11.458
268 HB3 PRO 40 2HB PRO 40 5.920 19.722 10.102
269 HG2 PRO 40 1HG PRO 40 7.472 18.016 12.011
270 HG3 PRO 40 2HG PRO 40 5.824 17.792 11.395
271 HD2 PRO 40 1HD PRO 40 7.947 16.435 10.403
272 HD3 PRO 40 2HD PRO 40 6.556 16.897 9.401
273 H SER 41 H SER 41 8.337 21.884 10.729
274 HA SER 41 HA SER 41 11.121 22.010 10.972
275 HB2 SER 41 1HB SER 41 9.329 23.889 11.153
276 HB3 SER 41 2HB SER 41 9.298 23.469 12.865
277 HG SER 41 HG SER 41 11.782 23.880 11.653
278 H GLY 42 H GLY 42 8.641 20.942 13.255
279 HA2 GLY 42 1HA GLY 42 10.653 19.437 14.713
280 HA3 GLY 42 2HA GLY 42 9.871 20.721 15.625
281 HA PRO 43 HA PRO 43 6.530 17.365 14.513
282 HB2 PRO 43 1HB PRO 43 7.540 14.920 13.902
283 HB3 PRO 43 2HB PRO 43 7.184 16.145 12.679
284 HG2 PRO 43 1HG PRO 43 9.806 15.424 13.929
285 HG3 PRO 43 2HG PRO 43 9.433 15.767 12.229
286 HD2 PRO 43 1HD PRO 43 10.571 17.597 13.869
287 HD3 PRO 43 2HD PRO 43 9.472 18.049 12.551
288 H SER 44 H SER 44 9.225 17.318 16.476
289 HA SER 44 HA SER 44 9.320 15.160 18.034
290 HB2 SER 44 1HB SER 44 8.979 17.908 19.249
291 HB3 SER 44 2HB SER 44 9.869 16.543 19.924
292 HG SER 44 HG SER 44 10.881 18.419 18.493
293 H SER 45 H SER 45 7.676 13.832 18.491
294 HA SER 45 HA SER 45 5.595 13.098 19.116
295 HB2 SER 45 1HB SER 45 6.232 15.070 21.323
296 HB3 SER 45 2HB SER 45 4.963 13.849 21.411
297 HG SER 45 HG SER 45 7.452 13.535 22.075
298 H GLY 46 H GLY 46 5.163 14.770 17.099
299 HA2 GLY 46 1HA GLY 46 2.990 16.548 18.020
300 HA3 GLY 46 2HA GLY 46 3.950 16.839 16.577
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -0.250 -7.920 -31.177
2 HA2 GLY 1 1HA GLY 1 1.183 -8.308 -29.025
3 HA3 GLY 1 2HA GLY 1 0.682 -6.655 -28.701
4 H SER 2 H SER 2 0.089 -9.547 -27.640
5 HA SER 2 HA SER 2 -2.758 -9.002 -27.188
6 HB2 SER 2 1HB SER 2 -3.359 -11.325 -27.534
7 HB3 SER 2 2HB SER 2 -2.544 -10.727 -28.979
8 HG SER 2 HG SER 2 -0.580 -11.649 -27.854
9 H SER 3 H SER 3 -2.856 -8.621 -25.075
10 HA SER 3 HA SER 3 -2.129 -10.662 -23.200
11 HB2 SER 3 1HB SER 3 0.037 -9.365 -23.679
12 HB3 SER 3 2HB SER 3 -0.720 -8.023 -22.822
13 HG SER 3 HG SER 3 0.404 -9.159 -21.308
14 H GLY 4 H GLY 4 -2.573 -9.892 -20.899
15 HA2 GLY 4 1HA GLY 4 -3.920 -7.631 -20.164
16 HA3 GLY 4 2HA GLY 4 -5.160 -8.643 -20.888
17 H SER 5 H SER 5 -2.982 -8.239 -18.204
18 HA SER 5 HA SER 5 -4.415 -10.391 -16.789
19 HB2 SER 5 1HB SER 5 -2.123 -11.101 -17.195
20 HB3 SER 5 2HB SER 5 -1.506 -9.597 -16.510
21 HG SER 5 HG SER 5 -3.207 -11.116 -14.915
22 H SER 6 H SER 6 -5.919 -8.865 -15.993
23 HA SER 6 HA SER 6 -4.818 -7.003 -13.991
24 HB2 SER 6 1HB SER 6 -7.389 -6.801 -15.577
25 HB3 SER 6 2HB SER 6 -6.912 -5.690 -14.293
26 HG SER 6 HG SER 6 -5.333 -6.191 -16.593
27 H GLY 7 H GLY 7 -4.890 -8.156 -12.134
28 HA2 GLY 7 1HA GLY 7 -6.777 -8.359 -10.376
29 HA3 GLY 7 2HA GLY 7 -7.374 -9.589 -11.481
30 H THR 8 H THR 8 -4.361 -8.694 -9.799
31 HA THR 8 HA THR 8 -3.445 -11.420 -9.762
32 HB THR 8 HB THR 8 -2.335 -9.084 -8.198
33 HG1 THR 8 HG1 THR 8 -1.574 -8.374 -10.034
34 HG21 THR 8 3HG2 THR 8 -1.686 -11.587 -7.766
35 HG22 THR 8 1HG2 THR 8 -0.435 -10.348 -7.850
36 HG23 THR 8 2HG2 THR 8 -0.742 -11.387 -9.242
37 H GLY 9 H GLY 9 -4.532 -9.102 -7.280
38 HA2 GLY 9 1HA GLY 9 -5.917 -11.062 -5.787
39 HA3 GLY 9 2HA GLY 9 -4.333 -10.798 -5.072
40 H GLU 10 H GLU 10 -7.521 -9.780 -5.141
41 HA GLU 10 HA GLU 10 -7.320 -7.028 -4.657
42 HB2 GLU 10 1HB GLU 10 -9.555 -7.183 -3.726
43 HB3 GLU 10 2HB GLU 10 -9.438 -8.192 -5.161
44 HG2 GLU 10 1HG GLU 10 -9.318 -10.177 -3.850
45 HG3 GLU 10 2HG GLU 10 -9.163 -9.247 -2.360
46 H LYS 11 H LYS 11 -6.779 -5.847 -2.924
47 HA LYS 11 HA LYS 11 -6.366 -7.245 -0.364
48 HB2 LYS 11 1HB LYS 11 -4.609 -5.093 -1.558
49 HB3 LYS 11 2HB LYS 11 -4.405 -5.806 0.036
50 HG2 LYS 11 1HG LYS 11 -4.281 -8.045 -1.301
51 HG3 LYS 11 2HG LYS 11 -3.874 -6.981 -2.649
52 HD2 LYS 11 1HD LYS 11 -2.163 -5.957 -0.980
53 HD3 LYS 11 2HD LYS 11 -2.381 -7.473 -0.102
54 HE2 LYS 11 1HE LYS 11 -1.717 -7.394 -3.032
55 HE3 LYS 11 2HE LYS 11 -0.470 -7.362 -1.786
56 HZ1 LYS 11 3HZ LYS 11 -0.840 -9.510 -1.229
57 HZ2 LYS 11 1HZ LYS 11 -1.360 -9.603 -2.837
58 HZ3 LYS 11 2HZ LYS 11 -2.492 -9.455 -1.590
59 HA PRO 12 HA PRO 12 -9.044 -4.123 1.246
60 HB2 PRO 12 1HB PRO 12 -8.524 -4.517 3.881
61 HB3 PRO 12 2HB PRO 12 -9.518 -5.621 2.922
62 HG2 PRO 12 1HG PRO 12 -6.637 -5.858 3.703
63 HG3 PRO 12 2HG PRO 12 -7.902 -7.101 3.699
64 HD2 PRO 12 1HD PRO 12 -6.060 -6.891 1.726
65 HD3 PRO 12 2HD PRO 12 -7.714 -7.464 1.431
66 H TYR 13 H TYR 13 -5.711 -4.007 1.226
67 HA TYR 13 HA TYR 13 -5.742 -1.234 2.164
68 HB2 TYR 13 1HB TYR 13 -3.866 -3.389 3.136
69 HB3 TYR 13 2HB TYR 13 -3.509 -1.673 3.295
70 HD1 TYR 13 HD2 TYR 13 -4.868 -0.255 4.783
71 HD2 TYR 13 HD1 TYR 13 -5.492 -4.457 4.543
72 HE1 TYR 13 HE2 TYR 13 -6.149 -0.179 6.881
73 HE2 TYR 13 HE1 TYR 13 -6.776 -4.392 6.640
74 HH TYR 13 HH TYR 13 -7.575 -3.123 8.271
75 H ASN 14 H ASN 14 -4.135 0.092 1.253
76 HA ASN 14 HA ASN 14 -2.201 -0.967 -0.585
77 HB2 ASN 14 1HB ASN 14 -4.679 0.412 -1.605
78 HB3 ASN 14 2HB ASN 14 -3.177 0.406 -2.525
79 HD21 ASN 14 1HD2 ASN 14 -5.910 -1.399 -1.509
80 HD22 ASN 14 2HD2 ASN 14 -5.567 -2.840 -2.398
81 H CYS 15 H CYS 15 -0.685 0.580 -1.264
82 HA CYS 15 HA CYS 15 -0.631 2.965 0.407
83 HB2 CYS 15 1HB CYS 15 1.331 1.304 0.030
84 HB3 CYS 15 2HB CYS 15 1.549 2.156 -1.495
85 H GLU 16 H GLU 16 -1.446 4.800 -0.338
86 HA GLU 16 HA GLU 16 -1.832 5.211 -3.177
87 HB2 GLU 16 1HB GLU 16 -3.479 5.852 -1.314
88 HB3 GLU 16 2HB GLU 16 -2.411 7.213 -1.005
89 HG2 GLU 16 1HG GLU 16 -4.203 7.937 -2.408
90 HG3 GLU 16 2HG GLU 16 -2.712 7.933 -3.348
91 H GLU 17 H GLU 17 0.879 5.249 -1.748
92 HA GLU 17 HA GLU 17 1.752 7.922 -2.617
93 HB2 GLU 17 1HB GLU 17 2.928 5.975 -0.638
94 HB3 GLU 17 2HB GLU 17 3.830 7.353 -1.254
95 HG2 GLU 17 1HG GLU 17 2.765 7.741 0.948
96 HG3 GLU 17 2HG GLU 17 2.279 8.891 -0.297
97 H CYS 18 H CYS 18 2.514 4.474 -2.797
98 HA CYS 18 HA CYS 18 4.194 5.048 -5.150
99 HB2 CYS 18 1HB CYS 18 5.478 3.010 -4.594
100 HB3 CYS 18 2HB CYS 18 5.569 4.221 -3.319
101 H GLY 19 H GLY 19 2.028 2.678 -3.633
102 HA2 GLY 19 1HA GLY 19 0.153 1.940 -5.089
103 HA3 GLY 19 2HA GLY 19 1.359 1.717 -6.348
104 H LYS 20 H LYS 20 1.646 0.839 -2.938
105 HA LYS 20 HA LYS 20 2.020 -1.953 -3.781
106 HB2 LYS 20 1HB LYS 20 3.880 -0.732 -2.561
107 HB3 LYS 20 2HB LYS 20 2.837 -0.732 -1.145
108 HG2 LYS 20 1HG LYS 20 2.921 -3.067 -0.946
109 HG3 LYS 20 2HG LYS 20 3.572 -3.265 -2.575
110 HD2 LYS 20 1HD LYS 20 5.669 -2.283 -1.908
111 HD3 LYS 20 2HD LYS 20 5.023 -1.892 -0.313
112 HE2 LYS 20 1HE LYS 20 4.582 -4.458 -0.175
113 HE3 LYS 20 2HE LYS 20 5.791 -4.546 -1.455
114 HZ1 LYS 20 3HZ LYS 20 6.806 -4.799 0.713
115 HZ2 LYS 20 1HZ LYS 20 6.180 -3.310 1.218
116 HZ3 LYS 20 2HZ LYS 20 7.339 -3.367 -0.013
117 H ALA 21 H ALA 21 0.532 -3.411 -3.265
118 HA ALA 21 HA ALA 21 -1.702 -2.657 -1.588
119 HB1 ALA 21 3HB ALA 21 -2.846 -4.426 -2.509
120 HB2 ALA 21 1HB ALA 21 -1.717 -4.035 -3.807
121 HB3 ALA 21 2HB ALA 21 -1.388 -5.394 -2.731
122 H PHE 22 H PHE 22 -2.420 -3.844 0.239
123 HA PHE 22 HA PHE 22 -0.470 -5.643 1.478
124 HB2 PHE 22 1HB PHE 22 -1.632 -3.178 2.788
125 HB3 PHE 22 2HB PHE 22 -0.782 -4.449 3.660
126 HD1 PHE 22 HD2 PHE 22 -0.399 -1.877 1.030
127 HD2 PHE 22 HD1 PHE 22 1.560 -4.493 3.757
128 HE1 PHE 22 HE2 PHE 22 1.742 -0.761 0.557
129 HE2 PHE 22 HE1 PHE 22 3.704 -3.381 3.289
130 HZ PHE 22 HZ PHE 22 3.797 -1.513 1.686
131 H ILE 23 H ILE 23 -1.354 -7.268 2.660
132 HA ILE 23 HA ILE 23 -4.163 -7.743 2.368
133 HB ILE 23 HB ILE 23 -2.084 -9.295 3.914
134 HG12 ILE 23 1HG1 ILE 23 -3.313 -9.932 1.230
135 HG13 ILE 23 2HG1 ILE 23 -1.782 -9.082 1.410
136 HG21 ILE 23 1HG2 ILE 23 -4.500 -10.667 2.983
137 HG22 ILE 23 2HG2 ILE 23 -3.642 -10.791 4.518
138 HG23 ILE 23 3HG2 ILE 23 -4.776 -9.468 4.246
139 HD11 ILE 23 3HD1 ILE 23 -1.798 -11.501 2.965
140 HD12 ILE 23 1HD1 ILE 23 -2.182 -11.827 1.275
141 HD13 ILE 23 2HD1 ILE 23 -0.690 -10.984 1.695
142 H HIS 24 H HIS 24 -2.011 -7.041 5.098
143 HA HIS 24 HA HIS 24 -4.396 -6.568 6.762
144 HB2 HIS 24 1HB HIS 24 -1.590 -7.346 7.576
145 HB3 HIS 24 2HB HIS 24 -2.866 -6.913 8.710
146 HD2 HIS 24 HD2 HIS 24 -2.215 -9.759 6.045
147 HE1 HIS 24 HE1 HIS 24 -4.853 -11.191 9.043
148 HE2 HIS 24 HE2 HIS 24 -3.475 -11.795 7.023
149 H ASP 25 H ASP 25 -4.075 -4.875 8.468
150 HA ASP 25 HA ASP 25 -3.183 -2.453 7.220
151 HB2 ASP 25 1HB ASP 25 -5.193 -2.779 8.812
152 HB3 ASP 25 2HB ASP 25 -4.000 -2.691 10.105
153 H SER 26 H SER 26 -2.121 -4.407 9.978
154 HA SER 26 HA SER 26 -0.086 -2.732 10.899
155 HB2 SER 26 1HB SER 26 0.806 -4.681 12.031
156 HB3 SER 26 2HB SER 26 -0.955 -4.740 12.102
157 HG SER 26 HG SER 26 -0.508 -6.028 9.980
158 H GLN 27 H GLN 27 -0.272 -4.648 8.063
159 HA GLN 27 HA GLN 27 2.576 -4.862 7.663
160 HB2 GLN 27 1HB GLN 27 0.194 -5.486 5.923
161 HB3 GLN 27 2HB GLN 27 1.850 -5.655 5.357
162 HG2 GLN 27 1HG GLN 27 2.164 -7.136 7.450
163 HG3 GLN 27 2HG GLN 27 0.403 -7.219 7.449
164 HE21 GLN 27 1HE2 GLN 27 -0.654 -8.204 5.695
165 HE22 GLN 27 2HE2 GLN 27 0.170 -9.308 4.653
166 H LEU 28 H LEU 28 -0.063 -3.105 6.033
167 HA LEU 28 HA LEU 28 1.524 -1.638 4.271
168 HB2 LEU 28 1HB LEU 28 -0.735 -1.586 3.794
169 HB3 LEU 28 2HB LEU 28 -1.183 -1.239 5.463
170 HG LEU 28 HG LEU 28 -0.233 1.067 5.128
171 HD11 LEU 28 1HD1 LEU 28 0.734 -0.050 2.765
172 HD12 LEU 28 2HD1 LEU 28 0.789 1.646 3.245
173 HD13 LEU 28 3HD1 LEU 28 -0.551 1.050 2.265
174 HD21 LEU 28 3HD2 LEU 28 -2.202 1.897 4.029
175 HD22 LEU 28 1HD2 LEU 28 -2.652 0.522 5.037
176 HD23 LEU 28 2HD2 LEU 28 -2.505 0.324 3.291
177 H GLN 29 H GLN 29 0.351 -0.771 7.513
178 HA GLN 29 HA GLN 29 1.346 1.796 7.694
179 HB2 GLN 29 1HB GLN 29 1.073 -0.337 9.810
180 HB3 GLN 29 2HB GLN 29 1.521 1.323 10.178
181 HG2 GLN 29 1HG GLN 29 -1.059 0.338 8.994
182 HG3 GLN 29 2HG GLN 29 -0.808 1.088 10.570
183 HE21 GLN 29 1HE2 GLN 29 -1.663 1.596 7.377
184 HE22 GLN 29 2HE2 GLN 29 -1.584 3.321 7.355
185 H GLU 30 H GLU 30 3.007 -1.242 8.503
186 HA GLU 30 HA GLU 30 5.411 -0.159 9.390
187 HB2 GLU 30 1HB GLU 30 4.944 -2.497 9.704
188 HB3 GLU 30 2HB GLU 30 4.848 -2.762 7.968
189 HG2 GLU 30 1HG GLU 30 7.132 -2.658 7.688
190 HG3 GLU 30 2HG GLU 30 7.377 -1.734 9.169
191 H HIS 31 H HIS 31 4.083 -0.222 6.247
192 HA HIS 31 HA HIS 31 6.668 0.178 4.948
193 HB2 HIS 31 1HB HIS 31 5.280 -1.258 3.690
194 HB3 HIS 31 2HB HIS 31 3.867 -0.232 3.920
195 HD1 HIS 31 HD1 HIS 31 7.140 -0.300 2.026
196 HD2 HIS 31 HD2 HIS 31 3.466 1.639 1.962
197 HE1 HIS 31 HE1 HIS 31 7.119 1.032 -0.107
198 H GLN 32 H GLN 32 3.520 1.845 5.131
199 HA GLN 32 HA GLN 32 4.005 4.153 3.825
200 HB2 GLN 32 1HB GLN 32 2.651 3.923 6.518
201 HB3 GLN 32 2HB GLN 32 2.500 5.292 5.424
202 HG2 GLN 32 1HG GLN 32 1.592 3.675 3.718
203 HG3 GLN 32 2HG GLN 32 1.512 2.487 5.018
204 HE21 GLN 32 1HE2 GLN 32 -0.671 3.520 3.491
205 HE22 GLN 32 2HE2 GLN 32 -1.734 4.318 4.594
206 H ARG 33 H ARG 33 5.527 3.125 6.754
207 HA ARG 33 HA ARG 33 6.391 5.466 7.904
208 HB2 ARG 33 1HB ARG 33 8.209 3.087 7.577
209 HB3 ARG 33 2HB ARG 33 8.132 4.222 8.918
210 HG2 ARG 33 1HG ARG 33 5.667 3.269 9.097
211 HG3 ARG 33 2HG ARG 33 6.422 1.882 8.309
212 HD2 ARG 33 1HD ARG 33 6.616 1.462 10.612
213 HD3 ARG 33 2HD ARG 33 8.209 2.028 10.110
214 HE ARG 33 HE ARG 33 6.932 4.284 10.943
215 HH11 ARG 33 1HH1 ARG 33 7.594 1.180 12.375
216 HH12 ARG 33 2HH1 ARG 33 7.670 1.797 13.992
217 HH21 ARG 33 1HH2 ARG 33 7.031 5.108 13.067
218 HH22 ARG 33 2HH2 ARG 33 7.349 4.031 14.385
219 H ILE 34 H ILE 34 7.943 3.683 5.247
220 HA ILE 34 HA ILE 34 10.137 5.379 4.898
221 HB ILE 34 HB ILE 34 10.395 4.419 2.702
222 HG12 ILE 34 1HG1 ILE 34 7.822 2.918 2.894
223 HG13 ILE 34 2HG1 ILE 34 7.767 4.597 2.369
224 HG21 ILE 34 1HG2 ILE 34 9.805 2.785 5.047
225 HG22 ILE 34 2HG2 ILE 34 9.686 1.905 3.524
226 HG23 ILE 34 3HG2 ILE 34 11.182 2.736 3.947
227 HD11 ILE 34 3HD1 ILE 34 8.035 3.688 0.340
228 HD12 ILE 34 1HD1 ILE 34 9.739 3.664 0.793
229 HD13 ILE 34 2HD1 ILE 34 8.756 2.211 0.978
230 H HIS 35 H HIS 35 6.829 5.862 4.177
231 HA HIS 35 HA HIS 35 7.364 7.967 2.230
232 HB2 HIS 35 1HB HIS 35 4.819 6.724 3.271
233 HB3 HIS 35 2HB HIS 35 4.823 8.138 2.221
234 HD1 HIS 35 HD1 HIS 35 6.517 7.575 -0.037
235 HD2 HIS 35 HD2 HIS 35 4.417 4.503 1.810
236 HE1 HIS 35 HE1 HIS 35 6.372 5.736 -1.747
237 H THR 36 H THR 36 7.590 7.807 5.430
238 HA THR 36 HA THR 36 6.707 10.591 5.783
239 HB THR 36 HB THR 36 5.796 10.191 7.917
240 HG1 THR 36 HG1 THR 36 7.302 7.836 7.776
241 HG21 THR 36 3HG2 THR 36 5.018 7.859 6.163
242 HG22 THR 36 1HG2 THR 36 4.298 9.469 6.142
243 HG23 THR 36 2HG2 THR 36 4.103 8.434 7.557
244 H GLY 37 H GLY 37 9.312 9.727 5.105
245 HA2 GLY 37 1HA GLY 37 10.742 10.594 7.528
246 HA3 GLY 37 2HA GLY 37 11.305 9.182 6.647
247 H GLU 38 H GLU 38 11.361 9.756 4.113
248 HA GLU 38 HA GLU 38 13.570 11.341 3.699
249 HB2 GLU 38 1HB GLU 38 12.816 9.770 2.024
250 HB3 GLU 38 2HB GLU 38 11.332 10.680 1.780
251 HG2 GLU 38 1HG GLU 38 12.622 12.555 0.898
252 HG3 GLU 38 2HG GLU 38 14.111 11.645 1.144
253 H LYS 39 H LYS 39 13.834 13.424 4.120
254 HA LYS 39 HA LYS 39 11.568 15.257 3.809
255 HB2 LYS 39 1HB LYS 39 13.125 16.857 5.041
256 HB3 LYS 39 2HB LYS 39 12.520 15.481 5.955
257 HG2 LYS 39 1HG LYS 39 15.127 15.192 4.565
258 HG3 LYS 39 2HG LYS 39 15.058 16.191 6.019
259 HD2 LYS 39 1HD LYS 39 13.772 13.510 6.097
260 HD3 LYS 39 2HD LYS 39 15.535 13.588 6.135
261 HE2 LYS 39 1HE LYS 39 15.274 15.266 8.019
262 HE3 LYS 39 2HE LYS 39 13.574 14.799 8.069
263 HZ1 LYS 39 3HZ LYS 39 14.844 12.419 8.120
264 HZ2 LYS 39 1HZ LYS 39 14.272 13.240 9.484
265 HZ3 LYS 39 2HZ LYS 39 15.893 13.388 9.026
266 HA PRO 40 HA PRO 40 13.312 16.783 0.036
267 HB2 PRO 40 1HB PRO 40 11.731 18.977 -0.200
268 HB3 PRO 40 2HB PRO 40 11.160 17.340 -0.543
269 HG2 PRO 40 1HG PRO 40 10.787 19.000 1.920
270 HG3 PRO 40 2HG PRO 40 9.611 17.981 1.069
271 HD2 PRO 40 1HD PRO 40 10.885 17.169 3.316
272 HD3 PRO 40 2HD PRO 40 10.406 16.043 2.031
273 H SER 41 H SER 41 12.618 19.158 2.608
274 HA SER 41 HA SER 41 15.247 20.371 2.075
275 HB2 SER 41 1HB SER 41 12.570 21.693 2.318
276 HB3 SER 41 2HB SER 41 14.008 22.554 2.867
277 HG SER 41 HG SER 41 13.340 22.833 0.586
278 H GLY 42 H GLY 42 12.566 20.479 4.435
279 HA2 GLY 42 1HA GLY 42 13.874 19.379 6.592
280 HA3 GLY 42 2HA GLY 42 14.312 21.080 6.617
281 HA PRO 43 HA PRO 43 9.509 20.883 7.223
282 HB2 PRO 43 1HB PRO 43 8.464 18.426 7.713
283 HB3 PRO 43 2HB PRO 43 8.611 19.100 6.086
284 HG2 PRO 43 1HG PRO 43 10.385 17.141 7.491
285 HG3 PRO 43 2HG PRO 43 9.806 17.124 5.815
286 HD2 PRO 43 1HD PRO 43 12.291 17.963 6.491
287 HD3 PRO 43 2HD PRO 43 11.392 18.646 5.121
288 H SER 44 H SER 44 9.638 21.835 9.181
289 HA SER 44 HA SER 44 9.750 20.080 11.530
290 HB2 SER 44 1HB SER 44 11.986 21.231 11.054
291 HB3 SER 44 2HB SER 44 11.175 22.739 11.478
292 HG SER 44 HG SER 44 12.327 21.503 13.205
293 H SER 45 H SER 45 9.281 21.597 13.563
294 HA SER 45 HA SER 45 6.805 23.033 12.891
295 HB2 SER 45 1HB SER 45 6.926 20.965 14.514
296 HB3 SER 45 2HB SER 45 7.473 22.169 15.681
297 HG SER 45 HG SER 45 4.980 21.698 14.741
298 H GLY 46 H GLY 46 6.275 24.963 14.087
299 HA2 GLY 46 1HA GLY 46 6.931 26.721 15.610
300 HA3 GLY 46 2HA GLY 46 8.608 26.328 15.264
Start of MODEL 17
1 H1 GLY 1 H GLY 1 13.478 -20.929 -16.084
2 HA2 GLY 1 1HA GLY 1 12.733 -20.949 -13.868
3 HA3 GLY 1 2HA GLY 1 13.862 -19.654 -13.500
4 H SER 2 H SER 2 10.640 -20.461 -14.201
5 HA SER 2 HA SER 2 9.939 -17.602 -14.362
6 HB2 SER 2 1HB SER 2 8.848 -19.970 -15.828
7 HB3 SER 2 2HB SER 2 7.763 -18.631 -15.452
8 HG SER 2 HG SER 2 9.869 -18.764 -17.237
9 H SER 3 H SER 3 8.755 -16.846 -12.740
10 HA SER 3 HA SER 3 6.817 -18.512 -11.384
11 HB2 SER 3 1HB SER 3 8.684 -19.146 -10.057
12 HB3 SER 3 2HB SER 3 9.299 -17.494 -10.000
13 HG SER 3 HG SER 3 7.432 -16.952 -8.762
14 H GLY 4 H GLY 4 5.298 -17.330 -10.184
15 HA2 GLY 4 1HA GLY 4 5.572 -14.397 -10.311
16 HA3 GLY 4 2HA GLY 4 4.113 -15.180 -10.900
17 H SER 5 H SER 5 3.328 -13.537 -9.211
18 HA SER 5 HA SER 5 3.339 -14.777 -6.540
19 HB2 SER 5 1HB SER 5 2.901 -11.915 -7.403
20 HB3 SER 5 2HB SER 5 2.535 -12.490 -5.776
21 HG SER 5 HG SER 5 4.744 -13.132 -5.618
22 H SER 6 H SER 6 1.229 -14.128 -5.297
23 HA SER 6 HA SER 6 -1.048 -14.750 -7.063
24 HB2 SER 6 1HB SER 6 -0.246 -16.498 -5.321
25 HB3 SER 6 2HB SER 6 -0.991 -15.430 -4.133
26 HG SER 6 HG SER 6 -2.322 -17.188 -5.111
27 H GLY 7 H GLY 7 -0.300 -12.110 -6.673
28 HA2 GLY 7 1HA GLY 7 -2.227 -11.091 -4.692
29 HA3 GLY 7 2HA GLY 7 -0.887 -10.176 -5.367
30 H THR 8 H THR 8 -3.510 -12.079 -6.845
31 HA THR 8 HA THR 8 -3.871 -10.545 -9.095
32 HB THR 8 HB THR 8 -6.058 -11.957 -7.553
33 HG1 THR 8 HG1 THR 8 -5.115 -13.717 -8.230
34 HG21 THR 8 3HG2 THR 8 -7.456 -11.592 -9.275
35 HG22 THR 8 1HG2 THR 8 -6.192 -11.845 -10.478
36 HG23 THR 8 2HG2 THR 8 -6.358 -10.276 -9.690
37 H GLY 9 H GLY 9 -5.853 -10.295 -6.129
38 HA2 GLY 9 1HA GLY 9 -5.794 -7.506 -5.962
39 HA3 GLY 9 2HA GLY 9 -7.193 -7.944 -6.930
40 H GLU 10 H GLU 10 -5.741 -9.493 -4.076
41 HA GLU 10 HA GLU 10 -8.372 -9.300 -2.769
42 HB2 GLU 10 1HB GLU 10 -6.251 -11.388 -2.780
43 HB3 GLU 10 2HB GLU 10 -7.169 -11.172 -1.297
44 HG2 GLU 10 1HG GLU 10 -9.137 -11.873 -2.248
45 HG3 GLU 10 2HG GLU 10 -8.625 -11.449 -3.880
46 H LYS 11 H LYS 11 -6.031 -7.371 -2.821
47 HA LYS 11 HA LYS 11 -5.332 -7.314 0.022
48 HB2 LYS 11 1HB LYS 11 -4.165 -6.155 -2.454
49 HB3 LYS 11 2HB LYS 11 -3.965 -5.236 -0.968
50 HG2 LYS 11 1HG LYS 11 -2.044 -6.574 -1.169
51 HG3 LYS 11 2HG LYS 11 -3.041 -7.347 0.065
52 HD2 LYS 11 1HD LYS 11 -3.747 -9.039 -1.434
53 HD3 LYS 11 2HD LYS 11 -3.110 -8.167 -2.830
54 HE2 LYS 11 1HE LYS 11 -0.898 -8.667 -2.281
55 HE3 LYS 11 2HE LYS 11 -1.303 -9.058 -0.610
56 HZ1 LYS 11 3HZ LYS 11 -2.706 -10.773 -2.355
57 HZ2 LYS 11 1HZ LYS 11 -1.563 -11.169 -1.172
58 HZ3 LYS 11 2HZ LYS 11 -1.060 -10.810 -2.747
59 HA PRO 12 HA PRO 12 -8.740 -4.352 0.284
60 HB2 PRO 12 1HB PRO 12 -8.912 -4.469 2.991
61 HB3 PRO 12 2HB PRO 12 -9.640 -5.680 1.929
62 HG2 PRO 12 1HG PRO 12 -7.056 -5.790 3.436
63 HG3 PRO 12 2HG PRO 12 -8.290 -7.048 3.239
64 HD2 PRO 12 1HD PRO 12 -6.005 -7.009 1.787
65 HD3 PRO 12 2HD PRO 12 -7.535 -7.636 1.142
66 H TYR 13 H TYR 13 -5.529 -4.108 0.898
67 HA TYR 13 HA TYR 13 -5.810 -1.334 1.834
68 HB2 TYR 13 1HB TYR 13 -3.915 -3.447 2.838
69 HB3 TYR 13 2HB TYR 13 -3.550 -1.733 3.005
70 HD1 TYR 13 HD2 TYR 13 -4.976 -0.296 4.425
71 HD2 TYR 13 HD1 TYR 13 -5.558 -4.506 4.219
72 HE1 TYR 13 HE2 TYR 13 -6.319 -0.205 6.483
73 HE2 TYR 13 HE1 TYR 13 -6.904 -4.426 6.276
74 HH TYR 13 HH TYR 13 -7.614 -3.156 7.964
75 H ASN 14 H ASN 14 -4.228 0.127 1.080
76 HA ASN 14 HA ASN 14 -2.242 -0.787 -0.819
77 HB2 ASN 14 1HB ASN 14 -4.503 1.030 -1.684
78 HB3 ASN 14 2HB ASN 14 -3.075 0.660 -2.645
79 HD21 ASN 14 1HD2 ASN 14 -6.029 -0.604 -1.297
80 HD22 ASN 14 2HD2 ASN 14 -6.125 -2.001 -2.309
81 H CYS 15 H CYS 15 -0.750 0.884 -1.445
82 HA CYS 15 HA CYS 15 -0.612 3.022 0.558
83 HB2 CYS 15 1HB CYS 15 1.286 1.320 0.186
84 HB3 CYS 15 2HB CYS 15 1.620 2.214 -1.294
85 H GLU 16 H GLU 16 -1.938 4.573 -0.357
86 HA GLU 16 HA GLU 16 -2.042 5.363 -3.010
87 HB2 GLU 16 1HB GLU 16 -2.909 7.522 -2.164
88 HB3 GLU 16 2HB GLU 16 -3.673 6.135 -1.400
89 HG2 GLU 16 1HG GLU 16 -2.304 6.425 0.573
90 HG3 GLU 16 2HG GLU 16 -1.447 7.762 -0.194
91 H GLU 17 H GLU 17 0.509 5.714 -0.805
92 HA GLU 17 HA GLU 17 1.666 8.109 -1.821
93 HB2 GLU 17 1HB GLU 17 2.858 5.821 -0.250
94 HB3 GLU 17 2HB GLU 17 3.723 7.302 -0.636
95 HG2 GLU 17 1HG GLU 17 2.299 8.606 0.711
96 HG3 GLU 17 2HG GLU 17 1.121 7.303 0.858
97 H CYS 18 H CYS 18 2.405 4.663 -2.325
98 HA CYS 18 HA CYS 18 3.869 5.427 -4.767
99 HB2 CYS 18 1HB CYS 18 5.014 3.183 -4.481
100 HB3 CYS 18 2HB CYS 18 5.412 4.403 -3.275
101 H GLY 19 H GLY 19 1.819 2.883 -3.353
102 HA2 GLY 19 1HA GLY 19 -0.203 2.365 -4.735
103 HA3 GLY 19 2HA GLY 19 0.907 2.251 -6.092
104 H LYS 20 H LYS 20 1.429 1.024 -2.824
105 HA LYS 20 HA LYS 20 1.684 -1.670 -3.968
106 HB2 LYS 20 1HB LYS 20 3.580 -0.481 -2.643
107 HB3 LYS 20 2HB LYS 20 2.626 -0.894 -1.224
108 HG2 LYS 20 1HG LYS 20 2.730 -3.268 -1.882
109 HG3 LYS 20 2HG LYS 20 3.762 -2.819 -3.242
110 HD2 LYS 20 1HD LYS 20 4.422 -2.232 -0.359
111 HD3 LYS 20 2HD LYS 20 4.993 -3.657 -1.231
112 HE2 LYS 20 1HE LYS 20 5.494 -0.814 -2.101
113 HE3 LYS 20 2HE LYS 20 6.629 -1.777 -1.156
114 HZ1 LYS 20 3HZ LYS 20 6.503 -1.674 -3.869
115 HZ2 LYS 20 1HZ LYS 20 5.721 -3.131 -3.511
116 HZ3 LYS 20 2HZ LYS 20 7.298 -2.861 -2.964
117 H ALA 21 H ALA 21 0.236 -3.186 -3.491
118 HA ALA 21 HA ALA 21 -1.909 -2.576 -1.645
119 HB1 ALA 21 3HB ALA 21 -3.003 -3.684 -3.238
120 HB2 ALA 21 1HB ALA 21 -1.513 -4.357 -3.900
121 HB3 ALA 21 2HB ALA 21 -2.318 -5.156 -2.549
122 H PHE 22 H PHE 22 -2.450 -3.750 0.190
123 HA PHE 22 HA PHE 22 -0.492 -5.727 1.129
124 HB2 PHE 22 1HB PHE 22 -1.483 -3.304 2.630
125 HB3 PHE 22 2HB PHE 22 -0.744 -4.684 3.436
126 HD1 PHE 22 HD2 PHE 22 -0.169 -1.854 1.182
127 HD2 PHE 22 HD1 PHE 22 1.612 -5.101 3.280
128 HE1 PHE 22 HE2 PHE 22 2.059 -0.900 0.760
129 HE2 PHE 22 HE1 PHE 22 3.843 -4.151 2.862
130 HZ PHE 22 HZ PHE 22 4.069 -2.049 1.600
131 H ILE 23 H ILE 23 -1.292 -7.156 2.787
132 HA ILE 23 HA ILE 23 -4.019 -7.911 2.329
133 HB ILE 23 HB ILE 23 -1.928 -9.020 4.200
134 HG12 ILE 23 1HG1 ILE 23 -1.419 -9.401 1.862
135 HG13 ILE 23 2HG1 ILE 23 -1.949 -10.915 2.587
136 HG21 ILE 23 1HG2 ILE 23 -4.105 -9.444 5.153
137 HG22 ILE 23 2HG2 ILE 23 -4.699 -10.046 3.607
138 HG23 ILE 23 3HG2 ILE 23 -3.456 -10.940 4.481
139 HD11 ILE 23 3HD1 ILE 23 -4.292 -9.975 1.647
140 HD12 ILE 23 1HD1 ILE 23 -3.171 -9.302 0.463
141 HD13 ILE 23 2HD1 ILE 23 -3.217 -11.043 0.746
142 H HIS 24 H HIS 24 -2.213 -6.951 5.252
143 HA HIS 24 HA HIS 24 -4.780 -6.170 6.467
144 HB2 HIS 24 1HB HIS 24 -2.207 -7.133 7.716
145 HB3 HIS 24 2HB HIS 24 -3.485 -6.364 8.652
146 HD2 HIS 24 HD2 HIS 24 -2.718 -9.758 6.922
147 HE1 HIS 24 HE1 HIS 24 -6.425 -10.107 8.955
148 HE2 HIS 24 HE2 HIS 24 -4.576 -11.343 7.773
149 H ASP 25 H ASP 25 -4.233 -4.488 8.359
150 HA ASP 25 HA ASP 25 -3.312 -2.137 6.984
151 HB2 ASP 25 1HB ASP 25 -5.256 -2.082 8.512
152 HB3 ASP 25 2HB ASP 25 -4.191 -2.472 9.860
153 H SER 26 H SER 26 -2.312 -3.818 9.965
154 HA SER 26 HA SER 26 -0.157 -2.321 10.703
155 HB2 SER 26 1HB SER 26 0.802 -4.380 11.680
156 HB3 SER 26 2HB SER 26 -0.928 -4.249 11.995
157 HG SER 26 HG SER 26 -1.142 -6.089 11.030
158 H GLN 27 H GLN 27 -0.295 -4.721 8.126
159 HA GLN 27 HA GLN 27 2.459 -4.801 7.545
160 HB2 GLN 27 1HB GLN 27 0.103 -5.281 5.713
161 HB3 GLN 27 2HB GLN 27 1.767 -5.731 5.365
162 HG2 GLN 27 1HG GLN 27 1.567 -7.035 7.623
163 HG3 GLN 27 2HG GLN 27 -0.161 -6.931 7.288
164 HE21 GLN 27 1HE2 GLN 27 -0.847 -8.765 6.466
165 HE22 GLN 27 2HE2 GLN 27 -0.037 -9.715 5.272
166 H LEU 28 H LEU 28 -0.170 -2.974 5.979
167 HA LEU 28 HA LEU 28 1.453 -1.563 4.180
168 HB2 LEU 28 1HB LEU 28 -0.852 -1.587 3.748
169 HB3 LEU 28 2HB LEU 28 -1.247 -1.022 5.370
170 HG LEU 28 HG LEU 28 -0.210 1.184 4.740
171 HD11 LEU 28 1HD1 LEU 28 0.996 0.052 2.745
172 HD12 LEU 28 2HD1 LEU 28 0.370 1.690 2.561
173 HD13 LEU 28 3HD1 LEU 28 -0.524 0.325 1.894
174 HD21 LEU 28 3HD2 LEU 28 -2.200 1.597 3.012
175 HD22 LEU 28 1HD2 LEU 28 -2.468 1.392 4.743
176 HD23 LEU 28 2HD2 LEU 28 -2.709 0.032 3.646
177 H GLN 29 H GLN 29 0.247 -0.656 7.398
178 HA GLN 29 HA GLN 29 1.295 1.910 7.533
179 HB2 GLN 29 1HB GLN 29 0.977 -0.098 9.771
180 HB3 GLN 29 2HB GLN 29 1.221 1.630 9.988
181 HG2 GLN 29 1HG GLN 29 -1.134 0.346 8.623
182 HG3 GLN 29 2HG GLN 29 -1.117 1.003 10.258
183 HE21 GLN 29 1HE2 GLN 29 -1.757 1.642 7.048
184 HE22 GLN 29 2HE2 GLN 29 -1.859 3.364 7.134
185 H GLU 30 H GLU 30 2.810 -1.179 8.393
186 HA GLU 30 HA GLU 30 5.218 -0.114 9.380
187 HB2 GLU 30 1HB GLU 30 4.357 -2.489 9.632
188 HB3 GLU 30 2HB GLU 30 4.927 -2.777 7.994
189 HG2 GLU 30 1HG GLU 30 6.780 -1.694 10.073
190 HG3 GLU 30 2HG GLU 30 6.428 -3.420 9.991
191 H HIS 31 H HIS 31 3.977 -0.107 6.263
192 HA HIS 31 HA HIS 31 6.637 0.029 5.026
193 HB2 HIS 31 1HB HIS 31 5.353 -1.455 3.763
194 HB3 HIS 31 2HB HIS 31 3.885 -0.501 3.953
195 HD1 HIS 31 HD1 HIS 31 7.130 -0.529 2.027
196 HD2 HIS 31 HD2 HIS 31 3.422 1.344 1.967
197 HE1 HIS 31 HE1 HIS 31 7.052 0.739 -0.143
198 H GLN 32 H GLN 32 3.539 1.776 5.123
199 HA GLN 32 HA GLN 32 4.148 3.977 3.613
200 HB2 GLN 32 1HB GLN 32 2.525 3.802 6.152
201 HB3 GLN 32 2HB GLN 32 2.580 5.239 5.139
202 HG2 GLN 32 1HG GLN 32 1.775 3.806 3.242
203 HG3 GLN 32 2HG GLN 32 1.509 2.525 4.423
204 HE21 GLN 32 1HE2 GLN 32 0.068 4.979 2.791
205 HE22 GLN 32 2HE2 GLN 32 -1.275 5.276 3.835
206 H ARG 33 H ARG 33 5.535 3.054 6.605
207 HA ARG 33 HA ARG 33 6.334 5.561 7.602
208 HB2 ARG 33 1HB ARG 33 8.190 4.150 8.705
209 HB3 ARG 33 2HB ARG 33 6.518 3.797 9.122
210 HG2 ARG 33 1HG ARG 33 6.492 1.868 7.735
211 HG3 ARG 33 2HG ARG 33 8.049 2.290 7.019
212 HD2 ARG 33 1HD ARG 33 7.486 1.384 9.833
213 HD3 ARG 33 2HD ARG 33 8.455 0.570 8.606
214 HE ARG 33 HE ARG 33 9.295 2.687 10.351
215 HH11 ARG 33 1HH1 ARG 33 9.849 1.126 7.289
216 HH12 ARG 33 2HH1 ARG 33 11.502 1.633 7.182
217 HH21 ARG 33 1HH2 ARG 33 11.470 3.361 10.221
218 HH22 ARG 33 2HH2 ARG 33 12.423 2.904 8.850
219 H ILE 34 H ILE 34 7.852 3.331 5.323
220 HA ILE 34 HA ILE 34 10.354 4.508 5.094
221 HB ILE 34 HB ILE 34 10.636 3.357 3.077
222 HG12 ILE 34 1HG1 ILE 34 7.629 3.345 2.739
223 HG13 ILE 34 2HG1 ILE 34 8.743 4.404 1.881
224 HG21 ILE 34 1HG2 ILE 34 8.560 1.486 3.860
225 HG22 ILE 34 2HG2 ILE 34 10.314 1.308 3.893
226 HG23 ILE 34 3HG2 ILE 34 9.481 2.086 5.239
227 HD11 ILE 34 3HD1 ILE 34 8.288 1.477 1.562
228 HD12 ILE 34 1HD1 ILE 34 8.353 2.746 0.340
229 HD13 ILE 34 2HD1 ILE 34 9.838 2.183 1.108
230 H HIS 35 H HIS 35 7.289 5.673 4.060
231 HA HIS 35 HA HIS 35 8.371 7.535 2.124
232 HB2 HIS 35 1HB HIS 35 5.593 7.104 3.227
233 HB3 HIS 35 2HB HIS 35 5.982 8.376 2.073
234 HD1 HIS 35 HD1 HIS 35 6.587 7.629 -0.351
235 HD2 HIS 35 HD2 HIS 35 5.407 4.541 2.167
236 HE1 HIS 35 HE1 HIS 35 6.126 5.670 -1.859
237 H THR 36 H THR 36 7.038 7.628 5.396
238 HA THR 36 HA THR 36 7.634 10.489 5.579
239 HB THR 36 HB THR 36 5.467 9.983 6.418
240 HG1 THR 36 HG1 THR 36 5.952 11.294 7.999
241 HG21 THR 36 3HG2 THR 36 5.698 8.327 8.602
242 HG22 THR 36 1HG2 THR 36 6.788 7.584 7.432
243 HG23 THR 36 2HG2 THR 36 5.096 7.853 7.014
244 H GLY 37 H GLY 37 9.985 9.728 5.435
245 HA2 GLY 37 1HA GLY 37 10.989 9.511 8.185
246 HA3 GLY 37 2HA GLY 37 11.566 8.360 6.990
247 H GLU 38 H GLU 38 13.445 8.855 6.097
248 HA GLU 38 HA GLU 38 14.079 11.671 5.581
249 HB2 GLU 38 1HB GLU 38 15.228 11.269 7.626
250 HB3 GLU 38 2HB GLU 38 15.798 9.699 7.078
251 HG2 GLU 38 1HG GLU 38 17.602 11.297 7.055
252 HG3 GLU 38 2HG GLU 38 17.211 10.800 5.410
253 H LYS 39 H LYS 39 14.843 11.995 3.595
254 HA LYS 39 HA LYS 39 16.552 10.164 2.242
255 HB2 LYS 39 1HB LYS 39 15.099 9.470 0.455
256 HB3 LYS 39 2HB LYS 39 14.353 9.017 1.982
257 HG2 LYS 39 1HG LYS 39 13.159 11.354 1.686
258 HG3 LYS 39 2HG LYS 39 13.516 11.045 -0.015
259 HD2 LYS 39 1HD LYS 39 12.280 8.881 1.625
260 HD3 LYS 39 2HD LYS 39 11.269 10.214 1.061
261 HE2 LYS 39 1HE LYS 39 11.979 9.760 -1.243
262 HE3 LYS 39 2HE LYS 39 12.971 8.420 -0.670
263 HZ1 LYS 39 3HZ LYS 39 11.155 7.208 -1.084
264 HZ2 LYS 39 1HZ LYS 39 10.122 8.548 -1.101
265 HZ3 LYS 39 2HZ LYS 39 10.559 7.835 0.369
266 HA PRO 40 HA PRO 40 17.548 13.996 0.299
267 HB2 PRO 40 1HB PRO 40 19.110 13.028 -1.700
268 HB3 PRO 40 2HB PRO 40 19.644 13.109 -0.017
269 HG2 PRO 40 1HG PRO 40 18.569 10.775 -1.553
270 HG3 PRO 40 2HG PRO 40 19.938 10.839 -0.427
271 HD2 PRO 40 1HD PRO 40 17.503 9.897 0.291
272 HD3 PRO 40 2HD PRO 40 18.576 10.734 1.430
273 H SER 41 H SER 41 17.663 14.882 -2.035
274 HA SER 41 HA SER 41 15.123 14.243 -3.304
275 HB2 SER 41 1HB SER 41 15.461 16.314 -4.567
276 HB3 SER 41 2HB SER 41 15.686 16.603 -2.842
277 HG SER 41 HG SER 41 17.841 16.769 -3.137
278 H GLY 42 H GLY 42 15.864 12.164 -4.123
279 HA2 GLY 42 1HA GLY 42 16.619 12.297 -6.841
280 HA3 GLY 42 2HA GLY 42 18.006 11.809 -5.879
281 HA PRO 43 HA PRO 43 16.620 7.660 -5.578
282 HB2 PRO 43 1HB PRO 43 16.578 7.058 -2.931
283 HB3 PRO 43 2HB PRO 43 18.076 7.292 -3.839
284 HG2 PRO 43 1HG PRO 43 16.627 9.204 -2.049
285 HG3 PRO 43 2HG PRO 43 18.367 8.877 -2.162
286 HD2 PRO 43 1HD PRO 43 17.211 11.032 -3.325
287 HD3 PRO 43 2HD PRO 43 18.625 10.215 -4.022
288 H SER 44 H SER 44 14.465 8.237 -6.394
289 HA SER 44 HA SER 44 12.411 7.340 -4.562
290 HB2 SER 44 1HB SER 44 12.363 10.104 -5.785
291 HB3 SER 44 2HB SER 44 10.923 9.306 -5.151
292 HG SER 44 HG SER 44 13.112 9.334 -3.463
293 H SER 45 H SER 45 10.800 6.265 -5.584
294 HA SER 45 HA SER 45 10.712 6.416 -8.524
295 HB2 SER 45 1HB SER 45 10.529 4.045 -8.708
296 HB3 SER 45 2HB SER 45 11.890 4.351 -7.629
297 HG SER 45 HG SER 45 10.653 2.803 -6.658
298 H GLY 46 H GLY 46 8.647 5.181 -9.316
299 HA2 GLY 46 1HA GLY 46 6.370 5.071 -7.651
300 HA3 GLY 46 2HA GLY 46 6.416 6.630 -8.462
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.127 -7.424 -20.718
2 HA2 GLY 1 1HA GLY 1 6.450 -7.706 -22.641
3 HA3 GLY 1 2HA GLY 1 7.570 -6.503 -22.020
4 H SER 2 H SER 2 8.821 -7.191 -20.043
5 HA SER 2 HA SER 2 9.859 -9.874 -20.533
6 HB2 SER 2 1HB SER 2 10.919 -7.426 -19.162
7 HB3 SER 2 2HB SER 2 11.623 -9.002 -18.803
8 HG SER 2 HG SER 2 12.765 -8.573 -20.524
9 H SER 3 H SER 3 8.758 -7.885 -17.799
10 HA SER 3 HA SER 3 8.936 -9.918 -15.856
11 HB2 SER 3 1HB SER 3 7.185 -7.449 -15.926
12 HB3 SER 3 2HB SER 3 7.447 -8.457 -14.503
13 HG SER 3 HG SER 3 9.193 -6.695 -15.792
14 H GLY 4 H GLY 4 6.873 -10.599 -14.595
15 HA2 GLY 4 1HA GLY 4 4.953 -11.643 -16.583
16 HA3 GLY 4 2HA GLY 4 5.437 -12.508 -15.132
17 H SER 5 H SER 5 3.047 -12.646 -14.902
18 HA SER 5 HA SER 5 1.948 -10.197 -13.687
19 HB2 SER 5 1HB SER 5 -0.278 -11.068 -14.212
20 HB3 SER 5 2HB SER 5 0.706 -10.986 -15.673
21 HG SER 5 HG SER 5 0.110 -13.284 -14.121
22 H SER 6 H SER 6 2.442 -10.388 -11.568
23 HA SER 6 HA SER 6 1.536 -12.836 -10.199
24 HB2 SER 6 1HB SER 6 3.899 -11.065 -9.536
25 HB3 SER 6 2HB SER 6 3.306 -12.356 -8.492
26 HG SER 6 HG SER 6 4.876 -13.283 -9.695
27 H GLY 7 H GLY 7 -0.477 -12.113 -9.604
28 HA2 GLY 7 1HA GLY 7 -0.649 -10.515 -7.273
29 HA3 GLY 7 2HA GLY 7 -1.147 -9.575 -8.672
30 H THR 8 H THR 8 -1.733 -12.721 -7.117
31 HA THR 8 HA THR 8 -4.421 -12.786 -8.243
32 HB THR 8 HB THR 8 -3.010 -14.826 -6.513
33 HG1 THR 8 HG1 THR 8 -2.667 -15.905 -8.472
34 HG21 THR 8 3HG2 THR 8 -4.849 -16.131 -6.605
35 HG22 THR 8 1HG2 THR 8 -5.251 -15.625 -8.246
36 HG23 THR 8 2HG2 THR 8 -5.690 -14.604 -6.876
37 H GLY 9 H GLY 9 -6.240 -12.366 -7.131
38 HA2 GLY 9 1HA GLY 9 -7.585 -12.340 -5.168
39 HA3 GLY 9 2HA GLY 9 -6.121 -12.253 -4.201
40 H GLU 10 H GLU 10 -7.856 -10.561 -3.351
41 HA GLU 10 HA GLU 10 -7.106 -7.971 -4.541
42 HB2 GLU 10 1HB GLU 10 -9.723 -8.609 -3.172
43 HB3 GLU 10 2HB GLU 10 -9.278 -7.082 -3.920
44 HG2 GLU 10 1HG GLU 10 -9.606 -7.855 -6.033
45 HG3 GLU 10 2HG GLU 10 -9.211 -9.519 -5.606
46 H LYS 11 H LYS 11 -5.908 -6.781 -3.230
47 HA LYS 11 HA LYS 11 -5.686 -7.446 -0.425
48 HB2 LYS 11 1HB LYS 11 -4.209 -5.728 -2.348
49 HB3 LYS 11 2HB LYS 11 -4.131 -5.273 -0.651
50 HG2 LYS 11 1HG LYS 11 -2.252 -6.652 -1.138
51 HG3 LYS 11 2HG LYS 11 -3.365 -7.584 -0.133
52 HD2 LYS 11 1HD LYS 11 -3.649 -7.808 -3.081
53 HD3 LYS 11 2HD LYS 11 -2.255 -8.590 -2.330
54 HE2 LYS 11 1HE LYS 11 -3.733 -9.821 -0.837
55 HE3 LYS 11 2HE LYS 11 -5.135 -9.007 -1.531
56 HZ1 LYS 11 3HZ LYS 11 -3.289 -10.620 -3.186
57 HZ2 LYS 11 1HZ LYS 11 -4.863 -10.120 -3.552
58 HZ3 LYS 11 2HZ LYS 11 -4.606 -11.315 -2.383
59 HA PRO 12 HA PRO 12 -8.815 -4.505 0.751
60 HB2 PRO 12 1HB PRO 12 -8.528 -4.845 3.430
61 HB3 PRO 12 2HB PRO 12 -9.379 -6.002 2.401
62 HG2 PRO 12 1HG PRO 12 -6.577 -6.104 3.450
63 HG3 PRO 12 2HG PRO 12 -7.782 -7.401 3.349
64 HD2 PRO 12 1HD PRO 12 -5.774 -7.134 1.552
65 HD3 PRO 12 2HD PRO 12 -7.368 -7.783 1.114
66 H TYR 13 H TYR 13 -5.537 -4.184 0.913
67 HA TYR 13 HA TYR 13 -5.770 -1.444 1.919
68 HB2 TYR 13 1HB TYR 13 -3.831 -3.528 2.908
69 HB3 TYR 13 2HB TYR 13 -3.510 -1.806 3.072
70 HD1 TYR 13 HD2 TYR 13 -4.884 -0.421 4.558
71 HD2 TYR 13 HD1 TYR 13 -5.498 -4.620 4.262
72 HE1 TYR 13 HE2 TYR 13 -6.203 -0.368 6.633
73 HE2 TYR 13 HE1 TYR 13 -6.821 -4.579 6.336
74 HH TYR 13 HH TYR 13 -8.171 -2.008 7.604
75 H ASN 14 H ASN 14 -4.185 -0.003 1.120
76 HA ASN 14 HA ASN 14 -2.198 -0.922 -0.753
77 HB2 ASN 14 1HB ASN 14 -4.547 0.716 -1.733
78 HB3 ASN 14 2HB ASN 14 -3.091 0.379 -2.665
79 HD21 ASN 14 1HD2 ASN 14 -5.767 -1.188 -0.978
80 HD22 ASN 14 2HD2 ASN 14 -5.853 -2.562 -2.022
81 H CYS 15 H CYS 15 -0.656 0.646 -1.246
82 HA CYS 15 HA CYS 15 -0.578 2.866 0.612
83 HB2 CYS 15 1HB CYS 15 1.381 1.299 -0.035
84 HB3 CYS 15 2HB CYS 15 1.505 2.296 -1.480
85 H GLU 16 H GLU 16 -1.135 4.889 0.154
86 HA GLU 16 HA GLU 16 -1.834 5.577 -2.588
87 HB2 GLU 16 1HB GLU 16 -3.180 6.083 -0.373
88 HB3 GLU 16 2HB GLU 16 -2.126 7.489 -0.311
89 HG2 GLU 16 1HG GLU 16 -2.880 7.957 -2.695
90 HG3 GLU 16 2HG GLU 16 -4.144 6.763 -2.406
91 H GLU 17 H GLU 17 0.985 5.413 -1.310
92 HA GLU 17 HA GLU 17 1.886 8.110 -2.071
93 HB2 GLU 17 1HB GLU 17 3.102 6.029 -0.260
94 HB3 GLU 17 2HB GLU 17 4.015 7.411 -0.851
95 HG2 GLU 17 1HG GLU 17 1.407 7.827 0.538
96 HG3 GLU 17 2HG GLU 17 2.870 7.515 1.469
97 H CYS 18 H CYS 18 2.421 4.666 -2.558
98 HA CYS 18 HA CYS 18 4.093 5.324 -4.896
99 HB2 CYS 18 1HB CYS 18 5.145 3.066 -4.554
100 HB3 CYS 18 2HB CYS 18 5.496 4.237 -3.287
101 H GLY 19 H GLY 19 1.902 2.858 -3.547
102 HA2 GLY 19 1HA GLY 19 -0.104 2.415 -4.971
103 HA3 GLY 19 2HA GLY 19 1.025 2.293 -6.313
104 H LYS 20 H LYS 20 1.457 0.996 -3.058
105 HA LYS 20 HA LYS 20 1.745 -1.670 -4.239
106 HB2 LYS 20 1HB LYS 20 3.448 -0.453 -2.618
107 HB3 LYS 20 2HB LYS 20 2.383 -1.100 -1.378
108 HG2 LYS 20 1HG LYS 20 2.716 -3.360 -2.355
109 HG3 LYS 20 2HG LYS 20 3.904 -2.658 -3.456
110 HD2 LYS 20 1HD LYS 20 4.123 -2.342 -0.476
111 HD3 LYS 20 2HD LYS 20 4.774 -3.753 -1.312
112 HE2 LYS 20 1HE LYS 20 5.473 -1.058 -2.353
113 HE3 LYS 20 2HE LYS 20 6.237 -1.592 -0.857
114 HZ1 LYS 20 3HZ LYS 20 7.683 -2.326 -2.482
115 HZ2 LYS 20 1HZ LYS 20 6.448 -2.754 -3.557
116 HZ3 LYS 20 2HZ LYS 20 6.751 -3.708 -2.194
117 H ALA 21 H ALA 21 0.921 -3.525 -2.964
118 HA ALA 21 HA ALA 21 -1.656 -2.859 -1.696
119 HB1 ALA 21 3HB ALA 21 -1.414 -5.566 -2.767
120 HB2 ALA 21 1HB ALA 21 -2.713 -4.385 -2.943
121 HB3 ALA 21 2HB ALA 21 -1.297 -4.301 -3.991
122 H PHE 22 H PHE 22 -2.328 -4.096 0.086
123 HA PHE 22 HA PHE 22 -0.364 -5.927 1.253
124 HB2 PHE 22 1HB PHE 22 -1.539 -3.515 2.645
125 HB3 PHE 22 2HB PHE 22 -0.714 -4.822 3.487
126 HD1 PHE 22 HD2 PHE 22 -0.296 -2.048 1.110
127 HD2 PHE 22 HD1 PHE 22 1.657 -5.007 3.466
128 HE1 PHE 22 HE2 PHE 22 1.861 -0.934 0.714
129 HE2 PHE 22 HE1 PHE 22 3.818 -3.897 3.073
130 HZ PHE 22 HZ PHE 22 3.922 -1.859 1.695
131 H ILE 23 H ILE 23 -1.282 -7.127 3.139
132 HA ILE 23 HA ILE 23 -4.040 -7.874 2.529
133 HB ILE 23 HB ILE 23 -2.045 -9.254 4.329
134 HG12 ILE 23 1HG1 ILE 23 -2.933 -10.182 1.606
135 HG13 ILE 23 2HG1 ILE 23 -1.554 -9.104 1.800
136 HG21 ILE 23 1HG2 ILE 23 -4.050 -10.996 3.349
137 HG22 ILE 23 2HG2 ILE 23 -3.740 -10.507 5.014
138 HG23 ILE 23 3HG2 ILE 23 -4.852 -9.573 4.014
139 HD11 ILE 23 3HD1 ILE 23 -0.458 -11.077 1.821
140 HD12 ILE 23 1HD1 ILE 23 -0.842 -10.982 3.539
141 HD13 ILE 23 2HD1 ILE 23 -1.837 -11.967 2.466
142 H HIS 24 H HIS 24 -2.037 -7.121 5.376
143 HA HIS 24 HA HIS 24 -4.508 -6.448 6.830
144 HB2 HIS 24 1HB HIS 24 -1.822 -7.386 7.844
145 HB3 HIS 24 2HB HIS 24 -3.087 -6.758 8.896
146 HD2 HIS 24 HD2 HIS 24 -2.241 -9.971 6.876
147 HE1 HIS 24 HE1 HIS 24 -5.791 -10.680 9.088
148 HE2 HIS 24 HE2 HIS 24 -3.956 -11.719 7.711
149 H ASP 25 H ASP 25 -4.348 -4.655 8.374
150 HA ASP 25 HA ASP 25 -3.392 -2.312 7.174
151 HB2 ASP 25 1HB ASP 25 -5.200 -2.110 8.700
152 HB3 ASP 25 2HB ASP 25 -4.304 -2.918 9.984
153 H SER 26 H SER 26 -2.280 -3.629 10.297
154 HA SER 26 HA SER 26 -0.103 -2.175 10.807
155 HB2 SER 26 1HB SER 26 0.963 -4.174 11.809
156 HB3 SER 26 2HB SER 26 -0.752 -4.068 12.207
157 HG SER 26 HG SER 26 -0.902 -5.986 11.386
158 H GLN 27 H GLN 27 -0.258 -4.709 8.355
159 HA GLN 27 HA GLN 27 2.457 -4.737 7.648
160 HB2 GLN 27 1HB GLN 27 -0.027 -5.383 6.061
161 HB3 GLN 27 2HB GLN 27 1.600 -5.632 5.440
162 HG2 GLN 27 1HG GLN 27 1.901 -6.981 7.667
163 HG3 GLN 27 2HG GLN 27 0.144 -7.085 7.586
164 HE21 GLN 27 1HE2 GLN 27 -0.768 -8.513 6.241
165 HE22 GLN 27 2HE2 GLN 27 0.096 -9.517 5.133
166 H LEU 28 H LEU 28 -0.264 -2.901 6.283
167 HA LEU 28 HA LEU 28 1.273 -1.539 4.338
168 HB2 LEU 28 1HB LEU 28 -1.068 -1.660 4.023
169 HB3 LEU 28 2HB LEU 28 -1.389 -0.972 5.613
170 HG LEU 28 HG LEU 28 -0.509 1.194 4.821
171 HD11 LEU 28 1HD1 LEU 28 -0.164 -0.344 2.268
172 HD12 LEU 28 2HD1 LEU 28 1.011 0.652 3.127
173 HD13 LEU 28 3HD1 LEU 28 -0.339 1.411 2.285
174 HD21 LEU 28 3HD2 LEU 28 -2.965 0.167 4.456
175 HD22 LEU 28 1HD2 LEU 28 -2.539 0.533 2.784
176 HD23 LEU 28 2HD2 LEU 28 -2.520 1.812 3.999
177 H GLN 29 H GLN 29 0.093 -0.545 7.545
178 HA GLN 29 HA GLN 29 1.155 2.026 7.573
179 HB2 GLN 29 1HB GLN 29 0.700 0.091 9.847
180 HB3 GLN 29 2HB GLN 29 1.113 1.785 10.072
181 HG2 GLN 29 1HG GLN 29 -1.381 0.942 10.116
182 HG3 GLN 29 2HG GLN 29 -0.943 2.518 9.460
183 HE21 GLN 29 1HE2 GLN 29 -0.899 2.801 7.207
184 HE22 GLN 29 2HE2 GLN 29 -1.754 1.736 6.149
185 H GLU 30 H GLU 30 2.658 -1.065 8.326
186 HA GLU 30 HA GLU 30 5.056 -0.000 9.405
187 HB2 GLU 30 1HB GLU 30 4.049 -2.429 9.485
188 HB3 GLU 30 2HB GLU 30 4.989 -2.649 8.016
189 HG2 GLU 30 1HG GLU 30 6.896 -1.602 9.526
190 HG3 GLU 30 2HG GLU 30 5.892 -2.271 10.811
191 H HIS 31 H HIS 31 3.842 -0.097 6.258
192 HA HIS 31 HA HIS 31 6.501 0.002 5.033
193 HB2 HIS 31 1HB HIS 31 5.160 -1.424 3.765
194 HB3 HIS 31 2HB HIS 31 3.728 -0.419 3.966
195 HD1 HIS 31 HD1 HIS 31 6.837 -0.749 1.909
196 HD2 HIS 31 HD2 HIS 31 3.450 1.649 2.109
197 HE1 HIS 31 HE1 HIS 31 6.829 0.583 -0.224
198 H GLN 32 H GLN 32 3.486 1.878 5.188
199 HA GLN 32 HA GLN 32 4.101 4.049 3.663
200 HB2 GLN 32 1HB GLN 32 2.647 3.929 6.303
201 HB3 GLN 32 2HB GLN 32 2.732 5.392 5.331
202 HG2 GLN 32 1HG GLN 32 1.725 4.063 3.447
203 HG3 GLN 32 2HG GLN 32 1.435 2.779 4.620
204 HE21 GLN 32 1HE2 GLN 32 -0.754 3.513 3.531
205 HE22 GLN 32 2HE2 GLN 32 -1.684 4.601 4.498
206 H ARG 33 H ARG 33 5.566 3.120 6.647
207 HA ARG 33 HA ARG 33 6.562 5.503 7.625
208 HB2 ARG 33 1HB ARG 33 8.281 3.045 7.578
209 HB3 ARG 33 2HB ARG 33 8.093 4.240 8.854
210 HG2 ARG 33 1HG ARG 33 5.642 3.344 8.935
211 HG3 ARG 33 2HG ARG 33 6.349 1.932 8.147
212 HD2 ARG 33 1HD ARG 33 7.212 3.140 10.773
213 HD3 ARG 33 2HD ARG 33 6.314 1.638 10.559
214 HE ARG 33 HE ARG 33 8.534 1.173 9.127
215 HH11 ARG 33 1HH1 ARG 33 8.053 2.398 12.350
216 HH12 ARG 33 2HH1 ARG 33 9.542 1.753 12.957
217 HH21 ARG 33 1HH2 ARG 33 10.497 0.320 9.915
218 HH22 ARG 33 2HH2 ARG 33 10.932 0.572 11.571
219 H ILE 34 H ILE 34 7.987 3.383 5.156
220 HA ILE 34 HA ILE 34 10.369 4.649 4.686
221 HB ILE 34 HB ILE 34 10.408 3.694 2.529
222 HG12 ILE 34 1HG1 ILE 34 7.393 3.464 2.634
223 HG13 ILE 34 2HG1 ILE 34 8.266 4.721 1.764
224 HG21 ILE 34 1HG2 ILE 34 8.596 1.635 3.425
225 HG22 ILE 34 2HG2 ILE 34 10.353 1.603 3.280
226 HG23 ILE 34 3HG2 ILE 34 9.601 2.223 4.750
227 HD11 ILE 34 3HD1 ILE 34 7.400 2.585 0.538
228 HD12 ILE 34 1HD1 ILE 34 8.963 3.290 0.125
229 HD13 ILE 34 2HD1 ILE 34 8.883 1.874 1.174
230 H HIS 35 H HIS 35 7.175 5.769 3.928
231 HA HIS 35 HA HIS 35 8.128 7.866 2.162
232 HB2 HIS 35 1HB HIS 35 5.368 7.221 3.215
233 HB3 HIS 35 2HB HIS 35 5.719 8.528 2.088
234 HD1 HIS 35 HD1 HIS 35 6.423 7.836 -0.337
235 HD2 HIS 35 HD2 HIS 35 5.245 4.686 2.103
236 HE1 HIS 35 HE1 HIS 35 6.040 5.893 -1.886
237 H THR 36 H THR 36 6.247 7.791 5.194
238 HA THR 36 HA THR 36 6.773 10.563 5.722
239 HB THR 36 HB THR 36 4.678 9.659 6.489
240 HG1 THR 36 HG1 THR 36 5.180 11.164 7.943
241 HG21 THR 36 3HG2 THR 36 6.370 7.489 7.439
242 HG22 THR 36 1HG2 THR 36 4.644 7.499 7.080
243 HG23 THR 36 2HG2 THR 36 5.219 8.036 8.658
244 H GLY 37 H GLY 37 9.093 10.568 5.725
245 HA2 GLY 37 1HA GLY 37 10.535 10.989 7.806
246 HA3 GLY 37 2HA GLY 37 10.317 9.265 8.068
247 H GLU 38 H GLU 38 10.881 10.997 5.027
248 HA GLU 38 HA GLU 38 13.627 10.175 4.874
249 HB2 GLU 38 1HB GLU 38 11.492 8.629 3.499
250 HB3 GLU 38 2HB GLU 38 12.962 8.951 2.591
251 HG2 GLU 38 1HG GLU 38 12.664 7.432 5.160
252 HG3 GLU 38 2HG GLU 38 13.256 6.850 3.605
253 H LYS 39 H LYS 39 14.604 10.792 2.753
254 HA LYS 39 HA LYS 39 13.293 13.224 1.751
255 HB2 LYS 39 1HB LYS 39 15.477 14.021 1.139
256 HB3 LYS 39 2HB LYS 39 15.544 13.454 2.803
257 HG2 LYS 39 1HG LYS 39 16.718 11.501 2.195
258 HG3 LYS 39 2HG LYS 39 16.384 11.747 0.479
259 HD2 LYS 39 1HD LYS 39 17.833 13.649 0.401
260 HD3 LYS 39 2HD LYS 39 18.023 13.642 2.156
261 HE2 LYS 39 1HE LYS 39 19.366 11.739 2.123
262 HE3 LYS 39 2HE LYS 39 18.816 11.262 0.517
263 HZ1 LYS 39 3HZ LYS 39 20.128 12.887 -0.490
264 HZ2 LYS 39 1HZ LYS 39 21.130 12.248 0.714
265 HZ3 LYS 39 2HZ LYS 39 20.369 13.740 0.951
266 HA PRO 40 HA PRO 40 12.621 11.310 -2.162
267 HB2 PRO 40 1HB PRO 40 12.356 13.552 -3.669
268 HB3 PRO 40 2HB PRO 40 11.107 12.993 -2.550
269 HG2 PRO 40 1HG PRO 40 13.177 15.122 -2.169
270 HG3 PRO 40 2HG PRO 40 11.461 15.139 -1.725
271 HD2 PRO 40 1HD PRO 40 13.425 14.650 0.073
272 HD3 PRO 40 2HD PRO 40 11.815 13.912 0.194
273 H SER 41 H SER 41 13.510 11.256 -4.369
274 HA SER 41 HA SER 41 16.354 11.263 -4.328
275 HB2 SER 41 1HB SER 41 14.921 9.669 -5.649
276 HB3 SER 41 2HB SER 41 14.567 10.996 -6.754
277 HG SER 41 HG SER 41 16.300 10.182 -7.691
278 H GLY 42 H GLY 42 13.917 13.333 -5.849
279 HA2 GLY 42 1HA GLY 42 15.801 14.954 -7.251
280 HA3 GLY 42 2HA GLY 42 14.109 15.337 -6.968
281 HA PRO 43 HA PRO 43 15.328 18.473 -4.157
282 HB2 PRO 43 1HB PRO 43 13.165 18.541 -2.517
283 HB3 PRO 43 2HB PRO 43 13.135 19.159 -4.173
284 HG2 PRO 43 1HG PRO 43 12.168 16.532 -3.114
285 HG3 PRO 43 2HG PRO 43 11.397 17.619 -4.284
286 HD2 PRO 43 1HD PRO 43 12.759 15.402 -5.033
287 HD3 PRO 43 2HD PRO 43 12.702 16.870 -6.030
288 H SER 44 H SER 44 17.072 17.102 -3.282
289 HA SER 44 HA SER 44 16.721 15.367 -1.101
290 HB2 SER 44 1HB SER 44 19.037 16.830 -2.288
291 HB3 SER 44 2HB SER 44 19.234 16.120 -0.686
292 HG SER 44 HG SER 44 19.331 14.225 -1.576
293 H SER 45 H SER 45 15.231 16.478 0.268
294 HA SER 45 HA SER 45 14.624 17.743 2.061
295 HB2 SER 45 1HB SER 45 17.596 17.486 2.467
296 HB3 SER 45 2HB SER 45 16.595 18.390 3.603
297 HG SER 45 HG SER 45 16.692 15.653 3.093
298 H GLY 46 H GLY 46 14.833 19.132 -0.358
299 HA2 GLY 46 1HA GLY 46 14.423 21.412 -0.788
300 HA3 GLY 46 2HA GLY 46 15.305 21.824 0.676
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -17.570 3.909 -26.219
2 HA2 GLY 1 1HA GLY 1 -19.265 3.910 -24.641
3 HA3 GLY 1 2HA GLY 1 -19.503 2.196 -24.949
4 H SER 2 H SER 2 -19.582 3.352 -22.389
5 HA SER 2 HA SER 2 -17.085 2.988 -21.045
6 HB2 SER 2 1HB SER 2 -19.893 3.569 -20.225
7 HB3 SER 2 2HB SER 2 -18.792 2.934 -19.003
8 HG SER 2 HG SER 2 -17.511 4.693 -19.227
9 H SER 3 H SER 3 -16.320 0.933 -21.427
10 HA SER 3 HA SER 3 -17.892 -1.416 -21.159
11 HB2 SER 3 1HB SER 3 -15.792 -1.279 -22.500
12 HB3 SER 3 2HB SER 3 -14.879 -1.163 -20.995
13 HG SER 3 HG SER 3 -15.320 -3.225 -20.544
14 H GLY 4 H GLY 4 -15.341 -0.042 -19.072
15 HA2 GLY 4 1HA GLY 4 -16.102 0.072 -16.650
16 HA3 GLY 4 2HA GLY 4 -16.447 -1.639 -16.850
17 H SER 5 H SER 5 -14.237 0.513 -15.696
18 HA SER 5 HA SER 5 -11.763 -0.583 -16.432
19 HB2 SER 5 1HB SER 5 -12.687 1.002 -14.047
20 HB3 SER 5 2HB SER 5 -11.028 0.414 -14.158
21 HG SER 5 HG SER 5 -11.149 1.474 -16.358
22 H SER 6 H SER 6 -10.348 -1.982 -15.294
23 HA SER 6 HA SER 6 -11.714 -3.853 -13.471
24 HB2 SER 6 1HB SER 6 -11.412 -5.018 -15.535
25 HB3 SER 6 2HB SER 6 -9.755 -4.435 -15.697
26 HG SER 6 HG SER 6 -9.207 -5.695 -13.881
27 H GLY 7 H GLY 7 -10.401 -4.877 -11.870
28 HA2 GLY 7 1HA GLY 7 -8.301 -5.147 -10.732
29 HA3 GLY 7 2HA GLY 7 -7.784 -3.609 -11.407
30 H THR 8 H THR 8 -10.597 -4.714 -9.512
31 HA THR 8 HA THR 8 -10.951 -2.316 -8.120
32 HB THR 8 HB THR 8 -11.693 -5.104 -7.213
33 HG1 THR 8 HG1 THR 8 -13.134 -3.145 -8.704
34 HG21 THR 8 3HG2 THR 8 -12.366 -4.111 -5.332
35 HG22 THR 8 1HG2 THR 8 -13.563 -3.245 -6.295
36 HG23 THR 8 2HG2 THR 8 -11.991 -2.512 -5.974
37 H GLY 9 H GLY 9 -9.414 -5.336 -6.990
38 HA2 GLY 9 1HA GLY 9 -7.148 -4.560 -5.875
39 HA3 GLY 9 2HA GLY 9 -8.286 -3.891 -4.715
40 H GLU 10 H GLU 10 -6.367 -6.489 -5.373
41 HA GLU 10 HA GLU 10 -8.080 -8.533 -4.249
42 HB2 GLU 10 1HB GLU 10 -5.180 -8.549 -5.092
43 HB3 GLU 10 2HB GLU 10 -6.010 -9.951 -4.433
44 HG2 GLU 10 1HG GLU 10 -7.241 -8.584 -6.758
45 HG3 GLU 10 2HG GLU 10 -5.785 -9.539 -7.032
46 H LYS 11 H LYS 11 -6.700 -6.010 -2.871
47 HA LYS 11 HA LYS 11 -6.265 -7.429 -0.346
48 HB2 LYS 11 1HB LYS 11 -4.307 -5.728 -1.795
49 HB3 LYS 11 2HB LYS 11 -4.404 -5.523 -0.051
50 HG2 LYS 11 1HG LYS 11 -3.813 -7.780 0.340
51 HG3 LYS 11 2HG LYS 11 -4.022 -8.200 -1.362
52 HD2 LYS 11 1HD LYS 11 -2.160 -6.574 -1.868
53 HD3 LYS 11 2HD LYS 11 -1.874 -6.486 -0.129
54 HE2 LYS 11 1HE LYS 11 -0.363 -8.103 -0.880
55 HE3 LYS 11 2HE LYS 11 -1.703 -9.038 -0.217
56 HZ1 LYS 11 3HZ LYS 11 -2.442 -9.621 -2.320
57 HZ2 LYS 11 1HZ LYS 11 -0.760 -9.705 -2.483
58 HZ3 LYS 11 2HZ LYS 11 -1.601 -8.370 -3.089
59 HA PRO 12 HA PRO 12 -8.960 -4.257 1.129
60 HB2 PRO 12 1HB PRO 12 -8.562 -4.638 3.788
61 HB3 PRO 12 2HB PRO 12 -9.527 -5.736 2.794
62 HG2 PRO 12 1HG PRO 12 -6.687 -6.004 3.703
63 HG3 PRO 12 2HG PRO 12 -7.967 -7.231 3.652
64 HD2 PRO 12 1HD PRO 12 -6.037 -7.060 1.761
65 HD3 PRO 12 2HD PRO 12 -7.684 -7.614 1.397
66 H TYR 13 H TYR 13 -5.654 -4.139 1.165
67 HA TYR 13 HA TYR 13 -5.686 -1.388 2.169
68 HB2 TYR 13 1HB TYR 13 -3.830 -3.578 3.093
69 HB3 TYR 13 2HB TYR 13 -3.429 -1.873 3.263
70 HD1 TYR 13 HD2 TYR 13 -4.729 -0.438 4.782
71 HD2 TYR 13 HD1 TYR 13 -5.477 -4.617 4.500
72 HE1 TYR 13 HE2 TYR 13 -5.988 -0.349 6.893
73 HE2 TYR 13 HE1 TYR 13 -6.738 -4.540 6.610
74 HH TYR 13 HH TYR 13 -7.428 -3.278 8.298
75 H ASN 14 H ASN 14 -4.156 -0.023 1.234
76 HA ASN 14 HA ASN 14 -2.165 -1.002 -0.580
77 HB2 ASN 14 1HB ASN 14 -4.199 0.720 -1.932
78 HB3 ASN 14 2HB ASN 14 -3.077 -0.445 -2.629
79 HD21 ASN 14 1HD2 ASN 14 -3.715 -2.503 -2.938
80 HD22 ASN 14 2HD2 ASN 14 -5.288 -3.103 -2.548
81 H CYS 15 H CYS 15 -0.697 0.591 -1.214
82 HA CYS 15 HA CYS 15 -0.801 3.008 0.403
83 HB2 CYS 15 1HB CYS 15 1.249 1.484 0.171
84 HB3 CYS 15 2HB CYS 15 1.445 2.187 -1.431
85 H GLU 16 H GLU 16 -1.333 4.948 -0.354
86 HA GLU 16 HA GLU 16 -1.965 5.249 -3.165
87 HB2 GLU 16 1HB GLU 16 -3.397 6.120 -1.253
88 HB3 GLU 16 2HB GLU 16 -2.171 7.358 -1.019
89 HG2 GLU 16 1HG GLU 16 -2.580 7.752 -3.595
90 HG3 GLU 16 2HG GLU 16 -4.140 7.025 -3.212
91 H GLU 17 H GLU 17 0.760 5.642 -1.302
92 HA GLU 17 HA GLU 17 1.787 8.000 -2.628
93 HB2 GLU 17 1HB GLU 17 2.917 6.079 -0.606
94 HB3 GLU 17 2HB GLU 17 3.923 7.296 -1.379
95 HG2 GLU 17 1HG GLU 17 1.548 7.729 0.406
96 HG3 GLU 17 2HG GLU 17 3.227 8.178 0.701
97 H CYS 18 H CYS 18 2.335 4.508 -2.698
98 HA CYS 18 HA CYS 18 3.888 4.881 -5.175
99 HB2 CYS 18 1HB CYS 18 4.999 2.698 -4.581
100 HB3 CYS 18 2HB CYS 18 5.387 4.043 -3.512
101 H GLY 19 H GLY 19 1.749 2.645 -3.420
102 HA2 GLY 19 1HA GLY 19 -0.278 2.022 -4.784
103 HA3 GLY 19 2HA GLY 19 0.875 1.589 -6.037
104 H LYS 20 H LYS 20 2.438 0.759 -3.342
105 HA LYS 20 HA LYS 20 2.222 -1.993 -3.714
106 HB2 LYS 20 1HB LYS 20 3.938 -0.490 -2.363
107 HB3 LYS 20 2HB LYS 20 2.910 -0.938 -1.008
108 HG2 LYS 20 1HG LYS 20 3.250 -3.343 -1.724
109 HG3 LYS 20 2HG LYS 20 4.518 -2.739 -2.794
110 HD2 LYS 20 1HD LYS 20 5.583 -1.681 -0.789
111 HD3 LYS 20 2HD LYS 20 4.396 -2.521 0.212
112 HE2 LYS 20 1HE LYS 20 6.145 -3.992 -1.734
113 HE3 LYS 20 2HE LYS 20 6.694 -3.614 -0.102
114 HZ1 LYS 20 3HZ LYS 20 5.688 -5.485 0.502
115 HZ2 LYS 20 1HZ LYS 20 4.888 -5.644 -0.981
116 HZ3 LYS 20 2HZ LYS 20 4.212 -4.698 0.248
117 H ALA 21 H ALA 21 0.783 -3.474 -3.101
118 HA ALA 21 HA ALA 21 -1.491 -2.636 -1.490
119 HB1 ALA 21 3HB ALA 21 -2.560 -4.656 -2.231
120 HB2 ALA 21 1HB ALA 21 -1.812 -3.868 -3.620
121 HB3 ALA 21 2HB ALA 21 -1.041 -5.272 -2.881
122 H PHE 22 H PHE 22 -2.306 -3.993 0.250
123 HA PHE 22 HA PHE 22 -0.341 -5.726 1.539
124 HB2 PHE 22 1HB PHE 22 -1.543 -3.261 2.804
125 HB3 PHE 22 2HB PHE 22 -0.794 -4.553 3.738
126 HD1 PHE 22 HD2 PHE 22 -0.175 -1.930 1.223
127 HD2 PHE 22 HD1 PHE 22 1.556 -4.745 3.906
128 HE1 PHE 22 HE2 PHE 22 2.027 -0.883 0.896
129 HE2 PHE 22 HE1 PHE 22 3.761 -3.701 3.584
130 HZ PHE 22 HZ PHE 22 3.999 -1.768 2.077
131 H ILE 23 H ILE 23 -1.223 -7.341 2.769
132 HA ILE 23 HA ILE 23 -4.004 -7.901 2.354
133 HB ILE 23 HB ILE 23 -2.022 -9.384 4.084
134 HG12 ILE 23 1HG1 ILE 23 -2.829 -9.874 1.209
135 HG13 ILE 23 2HG1 ILE 23 -1.287 -9.204 1.731
136 HG21 ILE 23 1HG2 ILE 23 -4.017 -11.057 2.960
137 HG22 ILE 23 2HG2 ILE 23 -3.720 -10.689 4.659
138 HG23 ILE 23 3HG2 ILE 23 -4.821 -9.683 3.718
139 HD11 ILE 23 3HD1 ILE 23 -2.316 -11.951 2.404
140 HD12 ILE 23 1HD1 ILE 23 -1.120 -11.571 1.165
141 HD13 ILE 23 2HD1 ILE 23 -0.752 -11.279 2.866
142 H HIS 24 H HIS 24 -2.026 -6.786 5.030
143 HA HIS 24 HA HIS 24 -4.489 -6.317 6.567
144 HB2 HIS 24 1HB HIS 24 -1.887 -7.474 7.561
145 HB3 HIS 24 2HB HIS 24 -3.081 -6.765 8.644
146 HD2 HIS 24 HD2 HIS 24 -2.519 -9.997 6.570
147 HE1 HIS 24 HE1 HIS 24 -6.143 -10.425 8.734
148 HE2 HIS 24 HE2 HIS 24 -4.390 -11.599 7.358
149 H ASP 25 H ASP 25 -4.289 -4.599 8.183
150 HA ASP 25 HA ASP 25 -3.165 -2.264 7.108
151 HB2 ASP 25 1HB ASP 25 -5.070 -2.643 8.897
152 HB3 ASP 25 2HB ASP 25 -3.740 -2.452 10.036
153 H SER 26 H SER 26 -2.252 -3.843 10.176
154 HA SER 26 HA SER 26 -0.044 -2.511 10.885
155 HB2 SER 26 1HB SER 26 0.803 -4.500 11.938
156 HB3 SER 26 2HB SER 26 -0.957 -4.577 12.000
157 HG SER 26 HG SER 26 0.813 -6.230 10.751
158 H GLN 27 H GLN 27 -0.183 -4.890 8.278
159 HA GLN 27 HA GLN 27 2.579 -4.899 7.688
160 HB2 GLN 27 1HB GLN 27 0.214 -5.520 5.911
161 HB3 GLN 27 2HB GLN 27 1.889 -5.882 5.518
162 HG2 GLN 27 1HG GLN 27 1.825 -7.163 7.800
163 HG3 GLN 27 2HG GLN 27 0.087 -7.164 7.507
164 HE21 GLN 27 1HE2 GLN 27 -0.742 -8.612 6.138
165 HE22 GLN 27 2HE2 GLN 27 0.182 -9.698 5.163
166 H LEU 28 H LEU 28 -0.138 -3.074 6.314
167 HA LEU 28 HA LEU 28 1.402 -1.680 4.391
168 HB2 LEU 28 1HB LEU 28 -0.914 -1.779 4.019
169 HB3 LEU 28 2HB LEU 28 -1.282 -1.201 5.643
170 HG LEU 28 HG LEU 28 -0.442 1.030 5.009
171 HD11 LEU 28 1HD1 LEU 28 0.262 1.579 2.862
172 HD12 LEU 28 2HD1 LEU 28 -0.399 0.102 2.161
173 HD13 LEU 28 3HD1 LEU 28 1.048 0.029 3.167
174 HD21 LEU 28 3HD2 LEU 28 -2.850 0.285 4.753
175 HD22 LEU 28 1HD2 LEU 28 -2.509 0.105 3.031
176 HD23 LEU 28 2HD2 LEU 28 -2.358 1.686 3.800
177 H GLN 29 H GLN 29 0.166 -0.706 7.586
178 HA GLN 29 HA GLN 29 1.173 1.863 7.681
179 HB2 GLN 29 1HB GLN 29 0.879 -0.146 9.918
180 HB3 GLN 29 2HB GLN 29 1.203 1.565 10.166
181 HG2 GLN 29 1HG GLN 29 -1.251 0.332 8.943
182 HG3 GLN 29 2HG GLN 29 -1.128 1.177 10.485
183 HE21 GLN 29 1HE2 GLN 29 -2.139 1.479 7.400
184 HE22 GLN 29 2HE2 GLN 29 -2.060 3.196 7.223
185 H GLU 30 H GLU 30 2.790 -1.172 8.538
186 HA GLU 30 HA GLU 30 5.177 -0.048 9.497
187 HB2 GLU 30 1HB GLU 30 4.511 -2.407 9.839
188 HB3 GLU 30 2HB GLU 30 4.793 -2.718 8.132
189 HG2 GLU 30 1HG GLU 30 7.109 -2.430 8.347
190 HG3 GLU 30 2HG GLU 30 6.950 -1.664 9.926
191 H HIS 31 H HIS 31 3.908 -0.158 6.363
192 HA HIS 31 HA HIS 31 6.531 0.066 5.087
193 HB2 HIS 31 1HB HIS 31 5.246 -1.329 3.764
194 HB3 HIS 31 2HB HIS 31 3.756 -0.457 4.108
195 HD1 HIS 31 HD1 HIS 31 6.841 -0.261 1.956
196 HD2 HIS 31 HD2 HIS 31 3.112 1.535 2.311
197 HE1 HIS 31 HE1 HIS 31 6.575 1.150 -0.108
198 H GLN 32 H GLN 32 3.445 1.844 5.202
199 HA GLN 32 HA GLN 32 3.963 4.066 3.778
200 HB2 GLN 32 1HB GLN 32 2.580 3.771 6.429
201 HB3 GLN 32 2HB GLN 32 2.695 5.339 5.642
202 HG2 GLN 32 1HG GLN 32 1.729 4.013 3.590
203 HG3 GLN 32 2HG GLN 32 1.154 2.925 4.852
204 HE21 GLN 32 1HE2 GLN 32 -0.840 3.849 3.623
205 HE22 GLN 32 2HE2 GLN 32 -1.600 5.197 4.392
206 H ARG 33 H ARG 33 5.540 3.145 6.721
207 HA ARG 33 HA ARG 33 6.539 5.511 7.695
208 HB2 ARG 33 1HB ARG 33 8.371 3.155 7.489
209 HB3 ARG 33 2HB ARG 33 8.124 4.260 8.834
210 HG2 ARG 33 1HG ARG 33 5.822 3.233 9.076
211 HG3 ARG 33 2HG ARG 33 6.373 1.987 7.954
212 HD2 ARG 33 1HD ARG 33 6.648 1.269 10.268
213 HD3 ARG 33 2HD ARG 33 8.209 1.433 9.465
214 HE ARG 33 HE ARG 33 7.175 3.070 11.630
215 HH11 ARG 33 1HH1 ARG 33 9.609 2.616 9.182
216 HH12 ARG 33 2HH1 ARG 33 10.753 3.673 9.939
217 HH21 ARG 33 1HH2 ARG 33 8.673 4.464 12.636
218 HH22 ARG 33 2HH2 ARG 33 10.221 4.723 11.905
219 H ILE 34 H ILE 34 7.978 3.486 5.146
220 HA ILE 34 HA ILE 34 10.247 4.934 4.599
221 HB ILE 34 HB ILE 34 10.222 4.018 2.371
222 HG12 ILE 34 1HG1 ILE 34 7.484 2.879 2.706
223 HG13 ILE 34 2HG1 ILE 34 7.628 4.567 2.227
224 HG21 ILE 34 1HG2 ILE 34 9.124 1.621 3.287
225 HG22 ILE 34 2HG2 ILE 34 10.808 2.133 3.390
226 HG23 ILE 34 3HG2 ILE 34 9.706 2.451 4.730
227 HD11 ILE 34 3HD1 ILE 34 9.071 3.824 0.337
228 HD12 ILE 34 1HD1 ILE 34 8.688 2.160 0.774
229 HD13 ILE 34 2HD1 ILE 34 7.404 3.254 0.260
230 H HIS 35 H HIS 35 6.966 5.815 4.013
231 HA HIS 35 HA HIS 35 7.698 7.945 2.160
232 HB2 HIS 35 1HB HIS 35 5.021 7.030 3.226
233 HB3 HIS 35 2HB HIS 35 5.230 8.375 2.109
234 HD1 HIS 35 HD1 HIS 35 6.547 7.610 -0.213
235 HD2 HIS 35 HD2 HIS 35 4.585 4.675 1.978
236 HE1 HIS 35 HE1 HIS 35 6.212 5.693 -1.806
237 H THR 36 H THR 36 6.430 7.513 5.427
238 HA THR 36 HA THR 36 6.715 10.406 5.881
239 HB THR 36 HB THR 36 4.470 9.459 6.344
240 HG1 THR 36 HG1 THR 36 6.035 10.560 8.431
241 HG21 THR 36 3HG2 THR 36 4.313 7.467 7.331
242 HG22 THR 36 1HG2 THR 36 4.878 8.212 8.826
243 HG23 THR 36 2HG2 THR 36 6.034 7.473 7.718
244 H GLY 37 H GLY 37 8.985 8.654 5.843
245 HA2 GLY 37 1HA GLY 37 9.856 7.693 8.280
246 HA3 GLY 37 2HA GLY 37 10.917 8.373 7.055
247 H GLU 38 H GLU 38 11.007 10.817 7.028
248 HA GLU 38 HA GLU 38 11.737 11.715 9.632
249 HB2 GLU 38 1HB GLU 38 11.620 13.038 6.933
250 HB3 GLU 38 2HB GLU 38 12.027 13.946 8.382
251 HG2 GLU 38 1HG GLU 38 13.512 11.449 7.681
252 HG3 GLU 38 2HG GLU 38 13.922 12.989 6.928
253 H LYS 39 H LYS 39 9.711 11.471 10.750
254 HA LYS 39 HA LYS 39 7.290 12.604 10.173
255 HB2 LYS 39 1HB LYS 39 7.925 11.191 12.187
256 HB3 LYS 39 2HB LYS 39 8.496 12.675 12.938
257 HG2 LYS 39 1HG LYS 39 6.252 13.627 12.763
258 HG3 LYS 39 2HG LYS 39 5.680 12.135 12.013
259 HD2 LYS 39 1HD LYS 39 6.401 10.916 14.071
260 HD3 LYS 39 2HD LYS 39 6.754 12.480 14.810
261 HE2 LYS 39 1HE LYS 39 4.060 11.944 13.625
262 HE3 LYS 39 2HE LYS 39 4.455 11.342 15.234
263 HZ1 LYS 39 3HZ LYS 39 5.222 13.809 15.564
264 HZ2 LYS 39 1HZ LYS 39 3.596 13.374 15.744
265 HZ3 LYS 39 2HZ LYS 39 4.123 14.102 14.312
266 HA PRO 40 HA PRO 40 7.931 16.965 10.065
267 HB2 PRO 40 1HB PRO 40 5.356 17.753 10.406
268 HB3 PRO 40 2HB PRO 40 5.958 17.068 8.892
269 HG2 PRO 40 1HG PRO 40 4.427 15.740 11.095
270 HG3 PRO 40 2HG PRO 40 4.218 15.592 9.340
271 HD2 PRO 40 1HD PRO 40 5.524 13.733 10.814
272 HD3 PRO 40 2HD PRO 40 5.961 14.098 9.132
273 H SER 41 H SER 41 6.592 18.890 11.398
274 HA SER 41 HA SER 41 7.348 18.372 14.187
275 HB2 SER 41 1HB SER 41 7.441 20.845 14.399
276 HB3 SER 41 2HB SER 41 8.525 20.235 13.150
277 HG SER 41 HG SER 41 6.656 22.054 12.881
278 H GLY 42 H GLY 42 5.465 17.388 14.925
279 HA2 GLY 42 1HA GLY 42 3.307 17.255 15.707
280 HA3 GLY 42 2HA GLY 42 3.512 18.964 16.061
281 HA PRO 43 HA PRO 43 1.493 18.692 11.664
282 HB2 PRO 43 1HB PRO 43 0.561 16.251 10.926
283 HB3 PRO 43 2HB PRO 43 2.196 16.808 10.553
284 HG2 PRO 43 1HG PRO 43 1.265 15.003 12.752
285 HG3 PRO 43 2HG PRO 43 2.687 14.849 11.705
286 HD2 PRO 43 1HD PRO 43 2.838 15.798 14.236
287 HD3 PRO 43 2HD PRO 43 3.918 16.355 12.942
288 H SER 44 H SER 44 0.265 16.440 14.111
289 HA SER 44 HA SER 44 -2.243 17.924 14.177
290 HB2 SER 44 1HB SER 44 -2.062 14.959 13.615
291 HB3 SER 44 2HB SER 44 -3.540 15.753 14.157
292 HG SER 44 HG SER 44 -2.228 16.870 11.972
293 H SER 45 H SER 45 -2.929 18.212 16.201
294 HA SER 45 HA SER 45 -1.458 17.591 18.433
295 HB2 SER 45 1HB SER 45 -4.464 17.944 18.337
296 HB3 SER 45 2HB SER 45 -3.439 18.151 19.757
297 HG SER 45 HG SER 45 -3.500 19.720 17.400
298 H GLY 46 H GLY 46 -0.814 15.607 18.994
299 HA2 GLY 46 1HA GLY 46 -2.880 13.615 19.572
300 HA3 GLY 46 2HA GLY 46 -1.603 13.155 18.456
Start of MODEL 20
1 H1 GLY 1 H GLY 1 0.791 1.708 -23.317
2 HA2 GLY 1 1HA GLY 1 -0.426 0.464 -21.342
3 HA3 GLY 1 2HA GLY 1 -1.406 -0.116 -22.680
4 H SER 2 H SER 2 1.782 -0.154 -21.226
5 HA SER 2 HA SER 2 2.650 -2.250 -23.074
6 HB2 SER 2 1HB SER 2 4.100 -0.221 -22.367
7 HB3 SER 2 2HB SER 2 4.332 -1.102 -20.857
8 HG SER 2 HG SER 2 5.979 -1.625 -22.299
9 H SER 3 H SER 3 3.363 -4.280 -22.364
10 HA SER 3 HA SER 3 1.835 -5.640 -20.563
11 HB2 SER 3 1HB SER 3 3.181 -6.916 -22.037
12 HB3 SER 3 2HB SER 3 4.665 -6.146 -21.475
13 HG SER 3 HG SER 3 3.120 -7.533 -19.609
14 H GLY 4 H GLY 4 1.931 -6.202 -18.410
15 HA2 GLY 4 1HA GLY 4 4.026 -4.908 -16.789
16 HA3 GLY 4 2HA GLY 4 2.331 -4.696 -16.375
17 H SER 5 H SER 5 1.947 -5.817 -14.584
18 HA SER 5 HA SER 5 3.028 -8.552 -14.399
19 HB2 SER 5 1HB SER 5 2.537 -6.455 -12.302
20 HB3 SER 5 2HB SER 5 2.580 -8.164 -11.866
21 HG SER 5 HG SER 5 4.627 -6.473 -12.553
22 H SER 6 H SER 6 1.673 -10.059 -13.094
23 HA SER 6 HA SER 6 -0.710 -10.647 -14.161
24 HB2 SER 6 1HB SER 6 0.641 -11.785 -12.201
25 HB3 SER 6 2HB SER 6 -0.532 -10.944 -11.187
26 HG SER 6 HG SER 6 -2.184 -12.021 -12.270
27 H GLY 7 H GLY 7 -2.666 -9.765 -14.320
28 HA2 GLY 7 1HA GLY 7 -3.244 -7.277 -13.016
29 HA3 GLY 7 2HA GLY 7 -4.307 -8.155 -14.105
30 H THR 8 H THR 8 -2.926 -8.546 -10.839
31 HA THR 8 HA THR 8 -5.632 -9.133 -9.860
32 HB THR 8 HB THR 8 -4.758 -10.932 -8.420
33 HG1 THR 8 HG1 THR 8 -2.672 -11.198 -8.252
34 HG21 THR 8 3HG2 THR 8 -4.894 -12.582 -10.023
35 HG22 THR 8 1HG2 THR 8 -3.909 -11.689 -11.180
36 HG23 THR 8 2HG2 THR 8 -5.585 -11.216 -10.897
37 H GLY 9 H GLY 9 -5.823 -8.937 -7.491
38 HA2 GLY 9 1HA GLY 9 -4.061 -8.056 -5.654
39 HA3 GLY 9 2HA GLY 9 -4.374 -6.599 -6.585
40 H GLU 10 H GLU 10 -5.960 -9.148 -4.705
41 HA GLU 10 HA GLU 10 -8.316 -7.470 -4.351
42 HB2 GLU 10 1HB GLU 10 -8.190 -10.092 -4.712
43 HB3 GLU 10 2HB GLU 10 -7.994 -10.093 -2.965
44 HG2 GLU 10 1HG GLU 10 -10.095 -8.988 -2.664
45 HG3 GLU 10 2HG GLU 10 -10.271 -8.754 -4.402
46 H LYS 11 H LYS 11 -5.448 -7.279 -3.064
47 HA LYS 11 HA LYS 11 -5.638 -7.600 -0.315
48 HB2 LYS 11 1HB LYS 11 -4.057 -5.735 -2.055
49 HB3 LYS 11 2HB LYS 11 -3.974 -5.593 -0.304
50 HG2 LYS 11 1HG LYS 11 -2.172 -6.952 -0.814
51 HG3 LYS 11 2HG LYS 11 -3.421 -8.106 -0.340
52 HD2 LYS 11 1HD LYS 11 -3.912 -8.602 -2.641
53 HD3 LYS 11 2HD LYS 11 -2.828 -7.323 -3.192
54 HE2 LYS 11 1HE LYS 11 -1.767 -9.496 -3.420
55 HE3 LYS 11 2HE LYS 11 -0.928 -8.524 -2.213
56 HZ1 LYS 11 3HZ LYS 11 -1.106 -10.526 -1.146
57 HZ2 LYS 11 1HZ LYS 11 -2.601 -10.908 -1.841
58 HZ3 LYS 11 2HZ LYS 11 -2.515 -9.769 -0.593
59 HA PRO 12 HA PRO 12 -8.765 -4.606 0.699
60 HB2 PRO 12 1HB PRO 12 -8.591 -4.902 3.392
61 HB3 PRO 12 2HB PRO 12 -9.407 -6.072 2.348
62 HG2 PRO 12 1HG PRO 12 -6.652 -6.172 3.514
63 HG3 PRO 12 2HG PRO 12 -7.860 -7.463 3.385
64 HD2 PRO 12 1HD PRO 12 -5.777 -7.239 1.669
65 HD3 PRO 12 2HD PRO 12 -7.356 -7.886 1.176
66 H TYR 13 H TYR 13 -5.498 -4.294 0.975
67 HA TYR 13 HA TYR 13 -5.756 -1.548 1.964
68 HB2 TYR 13 1HB TYR 13 -3.844 -3.639 2.982
69 HB3 TYR 13 2HB TYR 13 -3.495 -1.921 3.132
70 HD1 TYR 13 HD2 TYR 13 -4.817 -0.507 4.620
71 HD2 TYR 13 HD1 TYR 13 -5.581 -4.681 4.306
72 HE1 TYR 13 HE2 TYR 13 -6.152 -0.412 6.683
73 HE2 TYR 13 HE1 TYR 13 -6.920 -4.597 6.368
74 HH TYR 13 HH TYR 13 -8.298 -2.484 7.581
75 H ASN 14 H ASN 14 -4.201 -0.093 1.162
76 HA ASN 14 HA ASN 14 -2.188 -1.014 -0.694
77 HB2 ASN 14 1HB ASN 14 -4.234 0.898 -1.794
78 HB3 ASN 14 2HB ASN 14 -3.038 -0.057 -2.665
79 HD21 ASN 14 1HD2 ASN 14 -3.446 -2.208 -3.104
80 HD22 ASN 14 2HD2 ASN 14 -5.018 -2.906 -2.937
81 H CYS 15 H CYS 15 -0.832 0.756 -1.491
82 HA CYS 15 HA CYS 15 -0.763 2.962 0.449
83 HB2 CYS 15 1HB CYS 15 1.219 1.413 0.268
84 HB3 CYS 15 2HB CYS 15 1.473 2.035 -1.360
85 H GLU 16 H GLU 16 -1.541 4.829 -0.252
86 HA GLU 16 HA GLU 16 -1.956 5.383 -3.022
87 HB2 GLU 16 1HB GLU 16 -3.502 6.253 -1.374
88 HB3 GLU 16 2HB GLU 16 -2.209 7.134 -0.573
89 HG2 GLU 16 1HG GLU 16 -3.478 8.683 -1.855
90 HG3 GLU 16 2HG GLU 16 -1.916 8.472 -2.644
91 H GLU 17 H GLU 17 0.661 5.820 -0.881
92 HA GLU 17 HA GLU 17 1.835 8.118 -2.077
93 HB2 GLU 17 1HB GLU 17 3.174 5.915 -0.498
94 HB3 GLU 17 2HB GLU 17 3.840 7.509 -0.826
95 HG2 GLU 17 1HG GLU 17 2.396 8.562 0.640
96 HG3 GLU 17 2HG GLU 17 1.234 7.237 0.605
97 H CYS 18 H CYS 18 2.583 4.643 -2.340
98 HA CYS 18 HA CYS 18 4.071 5.221 -4.809
99 HB2 CYS 18 1HB CYS 18 5.029 2.923 -4.474
100 HB3 CYS 18 2HB CYS 18 5.438 4.075 -3.207
101 H GLY 19 H GLY 19 1.743 2.911 -3.426
102 HA2 GLY 19 1HA GLY 19 -0.280 2.508 -4.795
103 HA3 GLY 19 2HA GLY 19 0.798 2.397 -6.179
104 H LYS 20 H LYS 20 1.395 1.000 -3.003
105 HA LYS 20 HA LYS 20 1.572 -1.633 -4.258
106 HB2 LYS 20 1HB LYS 20 3.331 -0.521 -2.650
107 HB3 LYS 20 2HB LYS 20 2.261 -1.122 -1.391
108 HG2 LYS 20 1HG LYS 20 2.680 -3.336 -1.907
109 HG3 LYS 20 2HG LYS 20 3.225 -2.957 -3.543
110 HD2 LYS 20 1HD LYS 20 4.738 -1.989 -1.140
111 HD3 LYS 20 2HD LYS 20 4.988 -3.615 -1.781
112 HE2 LYS 20 1HE LYS 20 5.310 -2.417 -4.048
113 HE3 LYS 20 2HE LYS 20 5.539 -0.967 -3.073
114 HZ1 LYS 20 3HZ LYS 20 7.121 -2.878 -1.899
115 HZ2 LYS 20 1HZ LYS 20 7.643 -1.594 -2.871
116 HZ3 LYS 20 2HZ LYS 20 7.346 -3.110 -3.560
117 H ALA 21 H ALA 21 0.916 -3.482 -2.659
118 HA ALA 21 HA ALA 21 -1.723 -2.832 -1.518
119 HB1 ALA 21 3HB ALA 21 -1.637 -5.554 -2.386
120 HB2 ALA 21 1HB ALA 21 -2.719 -4.257 -2.895
121 HB3 ALA 21 2HB ALA 21 -1.180 -4.499 -3.723
122 H PHE 22 H PHE 22 -2.382 -4.042 0.292
123 HA PHE 22 HA PHE 22 -0.406 -5.822 1.507
124 HB2 PHE 22 1HB PHE 22 -1.541 -3.349 2.820
125 HB3 PHE 22 2HB PHE 22 -0.739 -4.640 3.710
126 HD1 PHE 22 HD2 PHE 22 -0.252 -2.055 1.116
127 HD2 PHE 22 HD1 PHE 22 1.606 -4.777 3.810
128 HE1 PHE 22 HE2 PHE 22 1.926 -0.997 0.678
129 HE2 PHE 22 HE1 PHE 22 3.787 -3.723 3.376
130 HZ PHE 22 HZ PHE 22 3.949 -1.831 1.807
131 H ILE 23 H ILE 23 -1.259 -7.244 3.083
132 HA ILE 23 HA ILE 23 -4.053 -7.862 2.657
133 HB ILE 23 HB ILE 23 -1.979 -9.270 4.342
134 HG12 ILE 23 1HG1 ILE 23 -3.126 -10.154 1.697
135 HG13 ILE 23 2HG1 ILE 23 -1.666 -9.177 1.806
136 HG21 ILE 23 1HG2 ILE 23 -3.498 -11.013 4.679
137 HG22 ILE 23 2HG2 ILE 23 -4.449 -9.554 4.948
138 HG23 ILE 23 3HG2 ILE 23 -4.588 -10.428 3.422
139 HD11 ILE 23 3HD1 ILE 23 -1.806 -11.923 1.837
140 HD12 ILE 23 1HD1 ILE 23 -0.421 -10.941 2.311
141 HD13 ILE 23 2HD1 ILE 23 -1.565 -11.501 3.532
142 H HIS 24 H HIS 24 -1.973 -7.057 5.426
143 HA HIS 24 HA HIS 24 -4.408 -6.409 6.955
144 HB2 HIS 24 1HB HIS 24 -1.728 -7.448 7.867
145 HB3 HIS 24 2HB HIS 24 -2.882 -6.720 8.980
146 HD2 HIS 24 HD2 HIS 24 -2.608 -9.921 6.712
147 HE1 HIS 24 HE1 HIS 24 -5.646 -10.520 9.613
148 HE2 HIS 24 HE2 HIS 24 -4.244 -11.593 7.816
149 H ASP 25 H ASP 25 -4.427 -4.520 8.210
150 HA ASP 25 HA ASP 25 -3.331 -2.245 7.084
151 HB2 ASP 25 1HB ASP 25 -3.867 -1.151 9.307
152 HB3 ASP 25 2HB ASP 25 -5.201 -2.003 8.535
153 H SER 26 H SER 26 -2.287 -3.769 10.139
154 HA SER 26 HA SER 26 -0.146 -2.262 10.800
155 HB2 SER 26 1HB SER 26 0.889 -4.303 11.765
156 HB3 SER 26 2HB SER 26 -0.831 -4.184 12.132
157 HG SER 26 HG SER 26 0.053 -6.284 11.329
158 H GLN 27 H GLN 27 -0.209 -4.755 8.297
159 HA GLN 27 HA GLN 27 2.528 -4.727 7.670
160 HB2 GLN 27 1HB GLN 27 0.191 -5.323 5.848
161 HB3 GLN 27 2HB GLN 27 1.867 -5.760 5.545
162 HG2 GLN 27 1HG GLN 27 1.845 -7.196 7.526
163 HG3 GLN 27 2HG GLN 27 0.157 -6.771 7.806
164 HE21 GLN 27 1HE2 GLN 27 2.199 -7.919 5.135
165 HE22 GLN 27 2HE2 GLN 27 1.089 -9.119 4.578
166 H LEU 28 H LEU 28 -0.190 -3.014 6.132
167 HA LEU 28 HA LEU 28 1.341 -1.598 4.258
168 HB2 LEU 28 1HB LEU 28 -0.990 -1.717 3.923
169 HB3 LEU 28 2HB LEU 28 -1.330 -1.067 5.525
170 HG LEU 28 HG LEU 28 -0.417 1.121 4.762
171 HD11 LEU 28 1HD1 LEU 28 -0.656 0.193 1.945
172 HD12 LEU 28 2HD1 LEU 28 0.838 -0.134 2.823
173 HD13 LEU 28 3HD1 LEU 28 0.279 1.527 2.622
174 HD21 LEU 28 3HD2 LEU 28 -2.504 0.669 2.779
175 HD22 LEU 28 1HD2 LEU 28 -2.489 1.725 4.192
176 HD23 LEU 28 2HD2 LEU 28 -2.903 0.020 4.370
177 H GLN 29 H GLN 29 0.088 -0.550 7.425
178 HA GLN 29 HA GLN 29 1.154 2.004 7.467
179 HB2 GLN 29 1HB GLN 29 0.643 0.051 9.707
180 HB3 GLN 29 2HB GLN 29 1.158 1.708 9.991
181 HG2 GLN 29 1HG GLN 29 -1.391 0.776 8.701
182 HG3 GLN 29 2HG GLN 29 -1.202 1.618 10.239
183 HE21 GLN 29 1HE2 GLN 29 -1.433 1.918 6.830
184 HE22 GLN 29 2HE2 GLN 29 -1.406 3.644 6.756
185 H GLU 30 H GLU 30 2.637 -1.022 8.596
186 HA GLU 30 HA GLU 30 5.033 0.080 9.533
187 HB2 GLU 30 1HB GLU 30 4.426 -2.182 10.101
188 HB3 GLU 30 2HB GLU 30 4.438 -2.659 8.409
189 HG2 GLU 30 1HG GLU 30 6.822 -2.365 8.291
190 HG3 GLU 30 2HG GLU 30 6.858 -1.730 9.934
191 H HIS 31 H HIS 31 3.852 -0.047 6.401
192 HA HIS 31 HA HIS 31 6.527 -0.018 5.196
193 HB2 HIS 31 1HB HIS 31 5.305 -1.459 3.885
194 HB3 HIS 31 2HB HIS 31 3.789 -0.612 4.177
195 HD1 HIS 31 HD1 HIS 31 6.930 -0.348 2.095
196 HD2 HIS 31 HD2 HIS 31 3.080 1.206 2.246
197 HE1 HIS 31 HE1 HIS 31 6.644 0.948 -0.041
198 H GLN 32 H GLN 32 3.458 1.790 5.006
199 HA GLN 32 HA GLN 32 4.146 3.919 3.491
200 HB2 GLN 32 1HB GLN 32 2.495 3.832 6.008
201 HB3 GLN 32 2HB GLN 32 2.661 5.302 5.057
202 HG2 GLN 32 1HG GLN 32 1.791 4.041 3.091
203 HG3 GLN 32 2HG GLN 32 1.469 2.688 4.174
204 HE21 GLN 32 1HE2 GLN 32 -0.618 3.596 2.847
205 HE22 GLN 32 2HE2 GLN 32 -1.667 4.528 3.855
206 H ARG 33 H ARG 33 5.427 3.138 6.597
207 HA ARG 33 HA ARG 33 6.323 5.608 7.501
208 HB2 ARG 33 1HB ARG 33 8.249 4.162 8.498
209 HB3 ARG 33 2HB ARG 33 6.597 3.899 9.040
210 HG2 ARG 33 1HG ARG 33 6.383 1.929 7.770
211 HG3 ARG 33 2HG ARG 33 7.841 2.282 6.839
212 HD2 ARG 33 1HD ARG 33 8.573 0.675 8.339
213 HD3 ARG 33 2HD ARG 33 9.038 2.181 9.129
214 HE ARG 33 HE ARG 33 6.451 1.282 9.939
215 HH11 ARG 33 1HH1 ARG 33 9.868 0.851 10.447
216 HH12 ARG 33 2HH1 ARG 33 9.686 0.267 12.068
217 HH21 ARG 33 1HH2 ARG 33 6.198 0.514 12.072
218 HH22 ARG 33 2HH2 ARG 33 7.598 0.075 12.991
219 H ILE 34 H ILE 34 7.867 3.335 5.262
220 HA ILE 34 HA ILE 34 10.326 4.516 4.931
221 HB ILE 34 HB ILE 34 10.459 3.502 2.764
222 HG12 ILE 34 1HG1 ILE 34 7.581 2.723 2.740
223 HG13 ILE 34 2HG1 ILE 34 7.991 4.370 2.271
224 HG21 ILE 34 1HG2 ILE 34 8.797 1.384 3.751
225 HG22 ILE 34 2HG2 ILE 34 10.555 1.490 3.696
226 HG23 ILE 34 3HG2 ILE 34 9.677 2.134 5.083
227 HD11 ILE 34 3HD1 ILE 34 8.062 3.358 0.243
228 HD12 ILE 34 1HD1 ILE 34 9.737 3.120 0.741
229 HD13 ILE 34 2HD1 ILE 34 8.572 1.806 0.908
230 H HIS 35 H HIS 35 7.235 5.687 3.922
231 HA HIS 35 HA HIS 35 8.272 7.570 2.001
232 HB2 HIS 35 1HB HIS 35 5.541 7.207 3.239
233 HB3 HIS 35 2HB HIS 35 5.908 8.459 2.056
234 HD1 HIS 35 HD1 HIS 35 6.072 7.760 -0.385
235 HD2 HIS 35 HD2 HIS 35 5.537 4.560 2.209
236 HE1 HIS 35 HE1 HIS 35 5.562 5.783 -1.853
237 H THR 36 H THR 36 8.886 7.504 5.065
238 HA THR 36 HA THR 36 8.042 10.152 5.881
239 HB THR 36 HB THR 36 9.436 9.670 7.922
240 HG1 THR 36 HG1 THR 36 10.517 7.814 8.062
241 HG21 THR 36 3HG2 THR 36 7.247 9.191 8.367
242 HG22 THR 36 1HG2 THR 36 7.920 7.568 8.513
243 HG23 THR 36 2HG2 THR 36 7.108 8.055 7.025
244 H GLY 37 H GLY 37 9.609 10.165 3.535
245 HA2 GLY 37 1HA GLY 37 12.327 10.574 3.811
246 HA3 GLY 37 2HA GLY 37 11.321 11.403 2.633
247 H GLU 38 H GLU 38 10.769 13.519 2.949
248 HA GLU 38 HA GLU 38 12.352 14.971 4.860
249 HB2 GLU 38 1HB GLU 38 11.789 15.701 2.475
250 HB3 GLU 38 2HB GLU 38 10.199 16.123 3.095
251 HG2 GLU 38 1HG GLU 38 11.788 18.026 2.949
252 HG3 GLU 38 2HG GLU 38 11.115 17.761 4.556
253 H LYS 39 H LYS 39 10.698 13.327 6.272
254 HA LYS 39 HA LYS 39 9.376 15.147 7.996
255 HB2 LYS 39 1HB LYS 39 7.783 14.647 5.921
256 HB3 LYS 39 2HB LYS 39 7.411 13.212 6.867
257 HG2 LYS 39 1HG LYS 39 7.319 15.883 8.184
258 HG3 LYS 39 2HG LYS 39 5.994 15.388 7.129
259 HD2 LYS 39 1HD LYS 39 7.003 13.626 9.345
260 HD3 LYS 39 2HD LYS 39 5.777 14.865 9.624
261 HE2 LYS 39 1HE LYS 39 5.475 12.816 7.452
262 HE3 LYS 39 2HE LYS 39 4.993 12.473 9.113
263 HZ1 LYS 39 3HZ LYS 39 3.149 13.289 7.750
264 HZ2 LYS 39 1HZ LYS 39 3.979 14.739 7.482
265 HZ3 LYS 39 2HZ LYS 39 3.477 14.328 9.044
266 HA PRO 40 HA PRO 40 10.359 11.788 10.682
267 HB2 PRO 40 1HB PRO 40 9.021 12.649 12.882
268 HB3 PRO 40 2HB PRO 40 10.539 13.372 12.337
269 HG2 PRO 40 1HG PRO 40 7.730 14.319 11.916
270 HG3 PRO 40 2HG PRO 40 9.174 15.255 12.348
271 HD2 PRO 40 1HD PRO 40 8.199 15.164 9.823
272 HD3 PRO 40 2HD PRO 40 9.932 15.328 10.173
273 H SER 41 H SER 41 9.272 10.162 12.060
274 HA SER 41 HA SER 41 7.057 9.016 10.721
275 HB2 SER 41 1HB SER 41 8.784 7.697 11.930
276 HB3 SER 41 2HB SER 41 8.152 8.316 13.456
277 HG SER 41 HG SER 41 7.305 6.227 12.067
278 H GLY 42 H GLY 42 7.345 10.400 13.998
279 HA2 GLY 42 1HA GLY 42 4.760 11.610 13.841
280 HA3 GLY 42 2HA GLY 42 4.734 10.158 14.831
281 HA PRO 43 HA PRO 43 7.662 13.382 16.986
282 HB2 PRO 43 1HB PRO 43 7.366 15.949 16.152
283 HB3 PRO 43 2HB PRO 43 8.546 14.839 15.445
284 HG2 PRO 43 1HG PRO 43 5.838 15.620 14.435
285 HG3 PRO 43 2HG PRO 43 7.357 15.435 13.537
286 HD2 PRO 43 1HD PRO 43 5.431 13.531 13.550
287 HD3 PRO 43 2HD PRO 43 7.159 13.141 13.428
288 H SER 44 H SER 44 6.928 13.932 18.942
289 HA SER 44 HA SER 44 4.159 14.885 19.171
290 HB2 SER 44 1HB SER 44 4.536 12.829 20.373
291 HB3 SER 44 2HB SER 44 5.963 13.497 21.165
292 HG SER 44 HG SER 44 3.258 14.259 21.531
293 H SER 45 H SER 45 3.647 16.550 20.683
294 HA SER 45 HA SER 45 5.703 18.596 20.799
295 HB2 SER 45 1HB SER 45 3.484 19.263 20.055
296 HB3 SER 45 2HB SER 45 2.771 18.661 21.551
297 HG SER 45 HG SER 45 3.857 20.268 22.678
298 H GLY 46 H GLY 46 7.132 18.044 22.398
299 HA2 GLY 46 1HA GLY 46 7.086 18.868 24.883
300 HA3 GLY 46 2HA GLY 46 6.075 17.442 25.065