Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505618 | 2ytf RC | 10185 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 4.364 -29.412 13.237
2 HA2 GLY 1 1HA GLY 1 6.686 -29.447 14.592
3 HA3 GLY 1 2HA GLY 1 7.221 -28.990 12.981
4 H SER 2 H SER 2 7.006 -26.919 12.324
5 HA SER 2 HA SER 2 5.951 -25.032 14.300
6 HB2 SER 2 1HB SER 2 7.990 -24.875 12.127
7 HB3 SER 2 2HB SER 2 7.127 -23.399 12.559
8 HG SER 2 HG SER 2 9.084 -24.723 13.908
9 H SER 3 H SER 3 3.735 -25.310 13.831
10 HA SER 3 HA SER 3 2.537 -25.187 11.329
11 HB2 SER 3 1HB SER 3 1.606 -24.567 14.106
12 HB3 SER 3 2HB SER 3 0.563 -24.164 12.742
13 HG SER 3 HG SER 3 0.347 -26.340 13.733
14 H GLY 4 H GLY 4 0.895 -23.288 10.830
15 HA2 GLY 4 1HA GLY 4 1.631 -20.635 11.427
16 HA3 GLY 4 2HA GLY 4 2.420 -21.117 9.933
17 H SER 5 H SER 5 1.354 -20.592 8.156
18 HA SER 5 HA SER 5 -1.507 -20.024 8.334
19 HB2 SER 5 1HB SER 5 0.682 -19.237 6.452
20 HB3 SER 5 2HB SER 5 -0.985 -19.214 5.877
21 HG SER 5 HG SER 5 -0.868 -17.273 6.746
22 H SER 6 H SER 6 -2.295 -22.157 8.379
23 HA SER 6 HA SER 6 -1.624 -24.088 6.399
24 HB2 SER 6 1HB SER 6 -2.455 -24.963 8.430
25 HB3 SER 6 2HB SER 6 -3.844 -23.877 8.427
26 HG SER 6 HG SER 6 -3.417 -25.898 6.485
27 H GLY 7 H GLY 7 -4.442 -21.962 6.860
28 HA2 GLY 7 1HA GLY 7 -4.837 -21.864 3.988
29 HA3 GLY 7 2HA GLY 7 -6.125 -22.657 4.885
30 H THR 8 H THR 8 -4.260 -19.637 4.756
31 HA THR 8 HA THR 8 -6.630 -18.229 5.795
32 HB THR 8 HB THR 8 -4.700 -17.929 7.238
33 HG1 THR 8 HG1 THR 8 -4.995 -15.798 7.406
34 HG21 THR 8 3HG2 THR 8 -2.852 -16.404 5.994
35 HG22 THR 8 1HG2 THR 8 -3.334 -17.456 4.664
36 HG23 THR 8 2HG2 THR 8 -2.720 -18.154 6.163
37 H GLY 9 H GLY 9 -7.501 -16.542 4.671
38 HA2 GLY 9 1HA GLY 9 -7.085 -16.421 1.883
39 HA3 GLY 9 2HA GLY 9 -8.034 -15.283 2.827
40 H GLU 10 H GLU 10 -6.778 -14.202 0.782
41 HA GLU 10 HA GLU 10 -4.531 -12.768 2.025
42 HB2 GLU 10 1HB GLU 10 -3.328 -12.722 -0.067
43 HB3 GLU 10 2HB GLU 10 -3.687 -14.392 0.349
44 HG2 GLU 10 1HG GLU 10 -5.798 -13.948 -1.168
45 HG3 GLU 10 2HG GLU 10 -4.744 -12.714 -1.856
46 H LYS 11 H LYS 11 -4.139 -10.627 1.070
47 HA LYS 11 HA LYS 11 -6.682 -9.353 0.383
48 HB2 LYS 11 1HB LYS 11 -4.081 -8.337 1.498
49 HB3 LYS 11 2HB LYS 11 -5.266 -7.231 0.817
50 HG2 LYS 11 1HG LYS 11 -5.933 -9.181 3.001
51 HG3 LYS 11 2HG LYS 11 -5.338 -7.550 3.316
52 HD2 LYS 11 1HD LYS 11 -7.266 -6.795 1.772
53 HD3 LYS 11 2HD LYS 11 -7.920 -8.409 2.056
54 HE2 LYS 11 1HE LYS 11 -7.212 -6.400 4.192
55 HE3 LYS 11 2HE LYS 11 -8.840 -6.745 3.613
56 HZ1 LYS 11 3HZ LYS 11 -7.513 -9.132 4.388
57 HZ2 LYS 11 1HZ LYS 11 -8.972 -8.487 4.954
58 HZ3 LYS 11 2HZ LYS 11 -7.509 -8.015 5.659
59 HA PRO 12 HA PRO 12 -5.593 -8.553 -3.795
60 HB2 PRO 12 1HB PRO 12 -6.820 -6.165 -4.202
61 HB3 PRO 12 2HB PRO 12 -7.706 -7.688 -4.052
62 HG2 PRO 12 1HG PRO 12 -7.228 -5.563 -1.997
63 HG3 PRO 12 2HG PRO 12 -8.715 -6.462 -2.353
64 HD2 PRO 12 1HD PRO 12 -7.096 -7.088 -0.274
65 HD3 PRO 12 2HD PRO 12 -8.033 -8.311 -1.157
66 H PHE 13 H PHE 13 -4.647 -6.402 -1.278
67 HA PHE 13 HA PHE 13 -2.550 -5.304 -3.024
68 HB2 PHE 13 1HB PHE 13 -3.837 -3.719 -0.803
69 HB3 PHE 13 2HB PHE 13 -2.759 -3.136 -2.067
70 HD1 PHE 13 HD1 PHE 13 -3.585 -3.065 -4.432
71 HD2 PHE 13 HD2 PHE 13 -6.160 -3.791 -1.122
72 HE1 PHE 13 HE1 PHE 13 -5.529 -2.471 -5.818
73 HE2 PHE 13 HE2 PHE 13 -8.108 -3.199 -2.503
74 HZ PHE 13 HZ PHE 13 -7.794 -2.539 -4.855
75 H GLU 14 H GLU 14 -0.569 -5.701 -2.304
76 HA GLU 14 HA GLU 14 -0.152 -6.054 0.585
77 HB2 GLU 14 1HB GLU 14 -0.270 -8.231 -0.821
78 HB3 GLU 14 2HB GLU 14 1.312 -7.749 -1.415
79 HG2 GLU 14 1HG GLU 14 1.954 -7.563 1.066
80 HG3 GLU 14 2HG GLU 14 0.500 -8.516 1.359
81 H CYS 15 H CYS 15 1.661 -5.138 1.399
82 HA CYS 15 HA CYS 15 2.963 -3.105 0.023
83 HB2 CYS 15 1HB CYS 15 2.841 -3.727 2.593
84 HB3 CYS 15 2HB CYS 15 4.385 -4.499 2.250
85 H SER 16 H SER 16 5.549 -3.123 0.054
86 HA SER 16 HA SER 16 6.384 -5.501 -1.474
87 HB2 SER 16 1HB SER 16 6.083 -3.450 -2.875
88 HB3 SER 16 2HB SER 16 7.337 -2.662 -1.917
89 HG SER 16 HG SER 16 8.743 -4.397 -2.583
90 H GLU 17 H GLU 17 7.162 -3.167 0.974
91 HA GLU 17 HA GLU 17 9.881 -4.155 1.277
92 HB2 GLU 17 1HB GLU 17 8.293 -1.957 2.573
93 HB3 GLU 17 2HB GLU 17 9.819 -2.495 3.261
94 HG2 GLU 17 1HG GLU 17 9.728 -1.776 0.378
95 HG3 GLU 17 2HG GLU 17 9.713 -0.487 1.580
96 H CYS 18 H CYS 18 6.986 -3.858 3.339
97 HA CYS 18 HA CYS 18 8.079 -5.912 5.114
98 HB2 CYS 18 1HB CYS 18 6.424 -5.215 6.716
99 HB3 CYS 18 2HB CYS 18 7.202 -3.774 6.072
100 H GLN 19 H GLN 19 5.925 -5.582 2.537
101 HA GLN 19 HA GLN 19 4.436 -6.983 1.543
102 HB2 GLN 19 1HB GLN 19 5.702 -9.052 3.347
103 HB3 GLN 19 2HB GLN 19 4.690 -9.394 1.950
104 HG2 GLN 19 1HG GLN 19 7.331 -7.955 1.855
105 HG3 GLN 19 2HG GLN 19 7.091 -9.664 1.496
106 HE21 GLN 19 1HE2 GLN 19 4.920 -9.763 -0.019
107 HE22 GLN 19 2HE2 GLN 19 5.117 -8.851 -1.473
108 H LYS 20 H LYS 20 3.388 -5.461 3.559
109 HA LYS 20 HA LYS 20 1.818 -7.150 5.316
110 HB2 LYS 20 1HB LYS 20 2.684 -5.015 6.149
111 HB3 LYS 20 2HB LYS 20 1.790 -4.154 4.902
112 HG2 LYS 20 1HG LYS 20 -0.313 -5.078 5.899
113 HG3 LYS 20 2HG LYS 20 0.669 -5.687 7.233
114 HD2 LYS 20 1HD LYS 20 1.460 -3.356 7.625
115 HD3 LYS 20 2HD LYS 20 0.316 -2.810 6.397
116 HE2 LYS 20 1HE LYS 20 -1.371 -4.199 7.903
117 HE3 LYS 20 2HE LYS 20 -0.174 -3.832 9.143
118 HZ1 LYS 20 3HZ LYS 20 -0.408 -1.476 8.591
119 HZ2 LYS 20 1HZ LYS 20 -1.878 -2.146 9.093
120 HZ3 LYS 20 2HZ LYS 20 -1.600 -1.852 7.451
121 H ALA 21 H ALA 21 -0.489 -7.161 5.356
122 HA ALA 21 HA ALA 21 -1.639 -7.061 2.683
123 HB1 ALA 21 3HB ALA 21 -2.475 -8.974 3.492
124 HB2 ALA 21 1HB ALA 21 -2.207 -8.495 5.169
125 HB3 ALA 21 2HB ALA 21 -3.645 -7.939 4.311
126 H PHE 22 H PHE 22 -3.356 -5.793 2.073
127 HA PHE 22 HA PHE 22 -4.441 -3.897 4.022
128 HB2 PHE 22 1HB PHE 22 -2.998 -3.208 1.480
129 HB3 PHE 22 2HB PHE 22 -4.244 -2.139 2.115
130 HD1 PHE 22 HD2 PHE 22 -0.934 -3.601 2.745
131 HD2 PHE 22 HD1 PHE 22 -3.862 -0.801 4.051
132 HE1 PHE 22 HE2 PHE 22 0.719 -2.582 4.257
133 HE2 PHE 22 HE1 PHE 22 -2.214 0.223 5.564
134 HZ PHE 22 HZ PHE 22 0.080 -0.669 5.669
135 H ASN 23 H ASN 23 -6.475 -3.001 3.447
136 HA ASN 23 HA ASN 23 -8.040 -4.770 1.766
137 HB2 ASN 23 1HB ASN 23 -9.957 -3.321 2.619
138 HB3 ASN 23 2HB ASN 23 -9.077 -4.247 3.832
139 HD21 ASN 23 1HD2 ASN 23 -7.897 -3.198 5.371
140 HD22 ASN 23 2HD2 ASN 23 -7.926 -1.484 5.586
141 H THR 24 H THR 24 -7.451 -1.264 1.984
142 HA THR 24 HA THR 24 -8.375 -1.007 -0.798
143 HB THR 24 HB THR 24 -8.536 1.447 -0.285
144 HG1 THR 24 HG1 THR 24 -8.285 0.611 2.425
145 HG21 THR 24 3HG2 THR 24 -10.690 1.214 0.394
146 HG22 THR 24 1HG2 THR 24 -10.267 0.149 1.734
147 HG23 THR 24 2HG2 THR 24 -10.358 -0.491 0.093
148 H LYS 25 H LYS 25 -7.136 0.085 -2.318
149 HA LYS 25 HA LYS 25 -4.344 -0.190 -2.110
150 HB2 LYS 25 1HB LYS 25 -5.665 -0.180 -4.240
151 HB3 LYS 25 2HB LYS 25 -5.857 1.559 -4.057
152 HG2 LYS 25 1HG LYS 25 -4.060 1.535 -5.439
153 HG3 LYS 25 2HG LYS 25 -3.217 1.463 -3.890
154 HD2 LYS 25 1HD LYS 25 -2.613 -0.723 -4.166
155 HD3 LYS 25 2HD LYS 25 -4.029 -1.103 -5.149
156 HE2 LYS 25 1HE LYS 25 -2.017 0.783 -6.258
157 HE3 LYS 25 2HE LYS 25 -1.598 -0.928 -6.192
158 HZ1 LYS 25 3HZ LYS 25 -2.589 -0.715 -8.249
159 HZ2 LYS 25 1HZ LYS 25 -3.748 0.393 -7.712
160 HZ3 LYS 25 2HZ LYS 25 -3.886 -1.241 -7.299
161 H SER 26 H SER 26 -6.422 2.691 -1.978
162 HA SER 26 HA SER 26 -4.566 4.687 -1.800
163 HB2 SER 26 1HB SER 26 -7.164 4.401 -0.277
164 HB3 SER 26 2HB SER 26 -6.227 5.894 -0.345
165 HG SER 26 HG SER 26 -6.924 6.234 -2.302
166 H ASN 27 H ASN 27 -5.860 2.832 0.956
167 HA ASN 27 HA ASN 27 -4.293 4.002 2.943
168 HB2 ASN 27 1HB ASN 27 -5.750 1.413 2.667
169 HB3 ASN 27 2HB ASN 27 -4.615 1.585 4.002
170 HD21 ASN 27 1HD2 ASN 27 -7.115 3.548 2.416
171 HD22 ASN 27 2HD2 ASN 27 -7.870 4.070 3.880
172 H LEU 28 H LEU 28 -3.631 1.240 0.838
173 HA LEU 28 HA LEU 28 -1.222 0.433 2.046
174 HB2 LEU 28 1HB LEU 28 -2.180 -1.115 0.600
175 HB3 LEU 28 2HB LEU 28 -2.414 0.079 -0.675
176 HG LEU 28 HG LEU 28 0.072 0.099 -0.991
177 HD11 LEU 28 1HD1 LEU 28 1.315 -1.844 -0.107
178 HD12 LEU 28 2HD1 LEU 28 -0.085 -2.259 0.880
179 HD13 LEU 28 3HD1 LEU 28 0.769 -0.742 1.157
180 HD21 LEU 28 3HD2 LEU 28 -0.838 -2.702 -1.393
181 HD22 LEU 28 1HD2 LEU 28 -0.029 -1.602 -2.509
182 HD23 LEU 28 2HD2 LEU 28 -1.749 -1.407 -2.171
183 H ILE 29 H ILE 29 -1.745 2.401 -0.883
184 HA ILE 29 HA ILE 29 0.827 3.028 -1.538
185 HB ILE 29 HB ILE 29 -1.518 4.931 -1.588
186 HG12 ILE 29 1HG1 ILE 29 -0.477 3.383 -3.937
187 HG13 ILE 29 2HG1 ILE 29 -1.582 2.615 -2.803
188 HG21 ILE 29 1HG2 ILE 29 0.233 6.350 -1.984
189 HG22 ILE 29 2HG2 ILE 29 1.245 5.085 -2.678
190 HG23 ILE 29 3HG2 ILE 29 -0.076 5.773 -3.622
191 HD11 ILE 29 3HD1 ILE 29 -2.158 5.177 -4.268
192 HD12 ILE 29 1HD1 ILE 29 -2.692 3.579 -4.788
193 HD13 ILE 29 2HD1 ILE 29 -3.272 4.250 -3.263
194 H VAL 30 H VAL 30 -1.209 4.824 0.769
195 HA VAL 30 HA VAL 30 0.722 6.713 1.520
196 HB VAL 30 HB VAL 30 -1.571 5.622 3.158
197 HG11 VAL 30 1HG1 VAL 30 0.075 6.744 4.558
198 HG12 VAL 30 2HG1 VAL 30 0.036 8.153 3.496
199 HG13 VAL 30 3HG1 VAL 30 -1.395 7.711 4.428
200 HG21 VAL 30 3HG2 VAL 30 -1.465 7.350 0.853
201 HG22 VAL 30 1HG2 VAL 30 -2.865 6.681 1.691
202 HG23 VAL 30 2HG2 VAL 30 -2.149 8.196 2.241
203 H HIS 31 H HIS 31 0.159 3.427 2.565
204 HA HIS 31 HA HIS 31 1.841 3.582 4.881
205 HB2 HIS 31 1HB HIS 31 0.214 1.900 5.013
206 HB3 HIS 31 2HB HIS 31 0.529 1.335 3.375
207 HD1 HIS 31 HD1 HIS 31 2.207 1.363 6.779
208 HD2 HIS 31 HD2 HIS 31 2.208 -0.798 3.231
209 HE1 HIS 31 HE1 HIS 31 3.679 -0.631 7.207
210 H GLN 32 H GLN 32 2.298 2.896 1.506
211 HA GLN 32 HA GLN 32 4.791 1.563 1.712
212 HB2 GLN 32 1HB GLN 32 3.293 2.926 -0.489
213 HB3 GLN 32 2HB GLN 32 4.981 2.501 -0.740
214 HG2 GLN 32 1HG GLN 32 4.272 0.151 0.046
215 HG3 GLN 32 2HG GLN 32 2.633 0.707 -0.290
216 HE21 GLN 32 1HE2 GLN 32 2.053 -0.275 -2.102
217 HE22 GLN 32 2HE2 GLN 32 2.958 -0.292 -3.573
218 H ARG 33 H ARG 33 3.863 4.947 1.439
219 HA ARG 33 HA ARG 33 6.356 6.063 0.879
220 HB2 ARG 33 1HB ARG 33 4.536 7.505 2.744
221 HB3 ARG 33 2HB ARG 33 5.392 8.098 1.327
222 HG2 ARG 33 1HG ARG 33 3.708 6.470 0.090
223 HG3 ARG 33 2HG ARG 33 2.747 6.781 1.537
224 HD2 ARG 33 1HD ARG 33 2.584 9.053 1.094
225 HD3 ARG 33 2HD ARG 33 3.997 9.048 0.039
226 HE ARG 33 HE ARG 33 1.735 7.517 -0.914
227 HH11 ARG 33 1HH1 ARG 33 3.398 10.575 -0.919
228 HH12 ARG 33 2HH1 ARG 33 2.684 11.109 -2.404
229 HH21 ARG 33 1HH2 ARG 33 0.788 8.209 -2.870
230 HH22 ARG 33 2HH2 ARG 33 1.198 9.763 -3.513
231 H THR 34 H THR 34 4.819 5.484 4.037
232 HA THR 34 HA THR 34 6.641 6.504 5.765
233 HB THR 34 HB THR 34 4.509 5.151 6.281
234 HG1 THR 34 HG1 THR 34 6.633 4.511 8.029
235 HG21 THR 34 3HG2 THR 34 4.564 2.890 6.399
236 HG22 THR 34 1HG2 THR 34 6.248 2.852 6.920
237 HG23 THR 34 2HG2 THR 34 5.858 3.071 5.214
238 H HIS 35 H HIS 35 7.035 3.678 3.758
239 HA HIS 35 HA HIS 35 9.377 2.709 5.097
240 HB2 HIS 35 1HB HIS 35 8.130 2.071 2.423
241 HB3 HIS 35 2HB HIS 35 9.603 1.296 3.000
242 HD1 HIS 35 HD1 HIS 35 8.980 0.557 5.814
243 HD2 HIS 35 HD2 HIS 35 6.158 0.266 2.779
244 HE1 HIS 35 HE1 HIS 35 7.288 -1.116 6.627
245 H THR 36 H THR 36 10.063 5.188 4.902
246 HA THR 36 HA THR 36 11.969 5.296 2.661
247 HB THR 36 HB THR 36 11.708 7.810 2.724
248 HG1 THR 36 HG1 THR 36 10.593 7.954 4.721
249 HG21 THR 36 3HG2 THR 36 10.666 7.201 0.832
250 HG22 THR 36 1HG2 THR 36 9.172 7.437 1.738
251 HG23 THR 36 2HG2 THR 36 9.877 5.826 1.605
252 H GLY 37 H GLY 37 13.920 6.483 3.079
253 HA2 GLY 37 1HA GLY 37 15.569 7.431 4.424
254 HA3 GLY 37 2HA GLY 37 14.467 7.344 5.791
255 H GLU 38 H GLU 38 16.143 6.539 7.116
256 HA GLU 38 HA GLU 38 16.551 3.660 6.797
257 HB2 GLU 38 1HB GLU 38 18.706 5.736 6.986
258 HB3 GLU 38 2HB GLU 38 18.974 4.133 7.656
259 HG2 GLU 38 1HG GLU 38 19.854 3.955 5.533
260 HG3 GLU 38 2HG GLU 38 18.237 3.283 5.339
261 H LYS 39 H LYS 39 16.661 2.530 8.699
262 HA LYS 39 HA LYS 39 16.100 2.108 10.873
263 HB2 LYS 39 1HB LYS 39 18.245 4.177 10.955
264 HB3 LYS 39 2HB LYS 39 17.445 3.760 12.465
265 HG2 LYS 39 1HG LYS 39 19.229 2.317 12.469
266 HG3 LYS 39 2HG LYS 39 17.967 1.313 11.751
267 HD2 LYS 39 1HD LYS 39 18.834 2.093 9.496
268 HD3 LYS 39 2HD LYS 39 20.228 2.737 10.367
269 HE2 LYS 39 1HE LYS 39 19.359 -0.119 10.680
270 HE3 LYS 39 2HE LYS 39 20.409 0.383 9.355
271 HZ1 LYS 39 3HZ LYS 39 22.128 0.319 10.724
272 HZ2 LYS 39 1HZ LYS 39 21.127 -0.209 11.982
273 HZ3 LYS 39 2HZ LYS 39 21.402 1.445 11.757
274 HA PRO 40 HA PRO 40 13.186 5.825 10.986
275 HB2 PRO 40 1HB PRO 40 10.936 4.489 10.264
276 HB3 PRO 40 2HB PRO 40 12.019 5.250 9.092
277 HG2 PRO 40 1HG PRO 40 11.838 2.378 9.918
278 HG3 PRO 40 2HG PRO 40 12.030 3.066 8.295
279 HD2 PRO 40 1HD PRO 40 14.108 2.045 9.698
280 HD3 PRO 40 2HD PRO 40 14.294 3.400 8.566
281 H SER 41 H SER 41 12.513 2.432 11.841
282 HA SER 41 HA SER 41 11.222 3.362 14.311
283 HB2 SER 41 1HB SER 41 10.069 1.741 12.652
284 HB3 SER 41 2HB SER 41 11.162 0.523 13.310
285 HG SER 41 HG SER 41 8.923 1.627 14.406
286 H GLY 42 H GLY 42 13.585 0.989 13.118
287 HA2 GLY 42 1HA GLY 42 15.582 1.314 14.893
288 HA3 GLY 42 2HA GLY 42 14.439 0.347 15.812
289 HA PRO 43 HA PRO 43 17.090 -2.153 12.653
290 HB2 PRO 43 1HB PRO 43 19.317 -2.683 14.113
291 HB3 PRO 43 2HB PRO 43 19.189 -1.295 13.026
292 HG2 PRO 43 1HG PRO 43 18.851 -1.410 15.998
293 HG3 PRO 43 2HG PRO 43 19.703 -0.206 15.015
294 HD2 PRO 43 1HD PRO 43 17.215 0.213 15.998
295 HD3 PRO 43 2HD PRO 43 17.758 0.895 14.451
296 H SER 44 H SER 44 17.351 -4.417 12.781
297 HA SER 44 HA SER 44 15.732 -5.684 14.754
298 HB2 SER 44 1HB SER 44 17.415 -6.697 12.471
299 HB3 SER 44 2HB SER 44 16.624 -7.808 13.589
300 HG SER 44 HG SER 44 15.227 -7.467 11.903
301 H SER 45 H SER 45 19.181 -6.077 13.929
302 HA SER 45 HA SER 45 20.983 -6.699 15.170
303 HB2 SER 45 1HB SER 45 19.290 -5.698 17.473
304 HB3 SER 45 2HB SER 45 21.020 -6.033 17.548
305 HG SER 45 HG SER 45 19.709 -3.854 16.562
306 H GLY 46 H GLY 46 19.221 -8.730 14.482
307 HA2 GLY 46 1HA GLY 46 19.696 -11.037 15.191
308 HA3 GLY 46 2HA GLY 46 19.428 -10.497 16.842
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -5.206 -34.428 15.799
2 HA2 GLY 1 1HA GLY 1 -7.207 -33.933 16.832
3 HA3 GLY 1 2HA GLY 1 -6.384 -32.437 17.247
4 H SER 2 H SER 2 -6.665 -30.595 15.891
5 HA SER 2 HA SER 2 -8.966 -30.769 14.065
6 HB2 SER 2 1HB SER 2 -9.823 -28.652 14.928
7 HB3 SER 2 2HB SER 2 -9.681 -29.821 16.241
8 HG SER 2 HG SER 2 -7.408 -28.662 16.279
9 H SER 3 H SER 3 -9.148 -28.621 12.783
10 HA SER 3 HA SER 3 -6.442 -27.914 11.858
11 HB2 SER 3 1HB SER 3 -9.049 -28.048 10.327
12 HB3 SER 3 2HB SER 3 -7.543 -27.413 9.663
13 HG SER 3 HG SER 3 -6.685 -29.583 10.366
14 H GLY 4 H GLY 4 -9.744 -26.548 11.795
15 HA2 GLY 4 1HA GLY 4 -10.498 -24.449 12.372
16 HA3 GLY 4 2HA GLY 4 -8.947 -24.164 13.146
17 H SER 5 H SER 5 -7.895 -22.491 12.335
18 HA SER 5 HA SER 5 -7.404 -20.751 10.917
19 HB2 SER 5 1HB SER 5 -6.008 -22.881 10.234
20 HB3 SER 5 2HB SER 5 -6.980 -22.789 8.765
21 HG SER 5 HG SER 5 -5.808 -20.430 9.665
22 H SER 6 H SER 6 -10.151 -21.126 11.008
23 HA SER 6 HA SER 6 -11.278 -21.308 8.389
24 HB2 SER 6 1HB SER 6 -12.694 -21.907 10.216
25 HB3 SER 6 2HB SER 6 -12.388 -20.379 11.041
26 HG SER 6 HG SER 6 -14.020 -19.605 9.992
27 H GLY 7 H GLY 7 -11.654 -19.755 6.920
28 HA2 GLY 7 1HA GLY 7 -11.688 -17.691 5.913
29 HA3 GLY 7 2HA GLY 7 -11.996 -17.014 7.506
30 H THR 8 H THR 8 -9.353 -18.363 5.543
31 HA THR 8 HA THR 8 -7.220 -17.366 7.021
32 HB THR 8 HB THR 8 -5.921 -17.460 4.872
33 HG1 THR 8 HG1 THR 8 -7.495 -16.989 3.360
34 HG21 THR 8 3HG2 THR 8 -6.600 -19.452 6.457
35 HG22 THR 8 1HG2 THR 8 -5.770 -19.753 4.932
36 HG23 THR 8 2HG2 THR 8 -7.516 -19.974 5.044
37 H GLY 9 H GLY 9 -5.701 -15.616 6.366
38 HA2 GLY 9 1HA GLY 9 -7.243 -13.215 5.623
39 HA3 GLY 9 2HA GLY 9 -5.817 -13.217 6.649
40 H GLU 10 H GLU 10 -7.008 -12.901 3.479
41 HA GLU 10 HA GLU 10 -4.299 -12.413 2.508
42 HB2 GLU 10 1HB GLU 10 -4.872 -14.762 1.912
43 HB3 GLU 10 2HB GLU 10 -6.254 -14.162 1.007
44 HG2 GLU 10 1HG GLU 10 -4.754 -12.927 -0.472
45 HG3 GLU 10 2HG GLU 10 -3.368 -13.530 0.434
46 H LYS 11 H LYS 11 -4.428 -10.334 1.968
47 HA LYS 11 HA LYS 11 -6.870 -9.285 0.762
48 HB2 LYS 11 1HB LYS 11 -4.505 -8.108 2.129
49 HB3 LYS 11 2HB LYS 11 -5.312 -7.118 0.920
50 HG2 LYS 11 1HG LYS 11 -6.303 -6.531 2.955
51 HG3 LYS 11 2HG LYS 11 -7.465 -7.608 2.176
52 HD2 LYS 11 1HD LYS 11 -6.236 -9.466 3.525
53 HD3 LYS 11 2HD LYS 11 -5.678 -8.119 4.521
54 HE2 LYS 11 1HE LYS 11 -7.609 -8.719 5.618
55 HE3 LYS 11 2HE LYS 11 -8.208 -7.465 4.533
56 HZ1 LYS 11 3HZ LYS 11 -9.666 -8.967 3.835
57 HZ2 LYS 11 1HZ LYS 11 -8.881 -10.233 4.639
58 HZ3 LYS 11 2HZ LYS 11 -8.385 -9.781 3.086
59 HA PRO 12 HA PRO 12 -5.368 -9.068 -3.355
60 HB2 PRO 12 1HB PRO 12 -6.332 -6.675 -4.199
61 HB3 PRO 12 2HB PRO 12 -7.364 -8.085 -3.929
62 HG2 PRO 12 1HG PRO 12 -6.867 -5.732 -2.146
63 HG3 PRO 12 2HG PRO 12 -8.395 -6.552 -2.518
64 HD2 PRO 12 1HD PRO 12 -7.021 -6.999 -0.228
65 HD3 PRO 12 2HD PRO 12 -7.989 -8.257 -1.022
66 H PHE 13 H PHE 13 -4.856 -6.087 -1.492
67 HA PHE 13 HA PHE 13 -2.483 -5.489 -3.097
68 HB2 PHE 13 1HB PHE 13 -3.698 -3.793 -0.913
69 HB3 PHE 13 2HB PHE 13 -2.549 -3.290 -2.149
70 HD1 PHE 13 HD1 PHE 13 -3.266 -2.911 -4.438
71 HD2 PHE 13 HD2 PHE 13 -6.038 -4.030 -1.408
72 HE1 PHE 13 HE1 PHE 13 -5.129 -2.225 -5.893
73 HE2 PHE 13 HE2 PHE 13 -7.905 -3.347 -2.858
74 HZ PHE 13 HZ PHE 13 -7.451 -2.444 -5.104
75 H GLU 14 H GLU 14 -0.468 -5.763 -2.364
76 HA GLU 14 HA GLU 14 -0.039 -6.146 0.513
77 HB2 GLU 14 1HB GLU 14 -0.234 -8.359 -0.707
78 HB3 GLU 14 2HB GLU 14 1.236 -7.921 -1.566
79 HG2 GLU 14 1HG GLU 14 2.287 -7.636 0.744
80 HG3 GLU 14 2HG GLU 14 0.877 -8.504 1.349
81 H CYS 15 H CYS 15 1.617 -4.995 1.261
82 HA CYS 15 HA CYS 15 3.014 -3.132 -0.204
83 HB2 CYS 15 1HB CYS 15 2.825 -3.589 2.400
84 HB3 CYS 15 2HB CYS 15 4.379 -4.375 2.142
85 H SER 16 H SER 16 5.567 -3.125 -0.192
86 HA SER 16 HA SER 16 6.424 -5.604 -1.537
87 HB2 SER 16 1HB SER 16 6.921 -2.717 -2.168
88 HB3 SER 16 2HB SER 16 8.122 -3.922 -2.633
89 HG SER 16 HG SER 16 6.883 -4.299 -4.275
90 H GLU 17 H GLU 17 7.225 -3.126 0.782
91 HA GLU 17 HA GLU 17 9.898 -4.153 1.226
92 HB2 GLU 17 1HB GLU 17 8.286 -1.875 2.294
93 HB3 GLU 17 2HB GLU 17 9.659 -2.448 3.229
94 HG2 GLU 17 1HG GLU 17 9.703 -1.404 0.409
95 HG3 GLU 17 2HG GLU 17 10.345 -0.613 1.848
96 H CYS 18 H CYS 18 6.991 -3.739 3.256
97 HA CYS 18 HA CYS 18 8.003 -5.816 5.054
98 HB2 CYS 18 1HB CYS 18 6.462 -5.005 6.679
99 HB3 CYS 18 2HB CYS 18 7.196 -3.587 5.938
100 H GLN 19 H GLN 19 5.961 -5.502 2.430
101 HA GLN 19 HA GLN 19 4.344 -6.801 1.492
102 HB2 GLN 19 1HB GLN 19 5.558 -8.935 3.255
103 HB3 GLN 19 2HB GLN 19 4.546 -9.213 1.844
104 HG2 GLN 19 1HG GLN 19 6.603 -9.528 0.930
105 HG3 GLN 19 2HG GLN 19 6.399 -7.802 0.637
106 HE21 GLN 19 1HE2 GLN 19 8.580 -7.375 0.587
107 HE22 GLN 19 2HE2 GLN 19 9.581 -7.436 1.994
108 H LYS 20 H LYS 20 3.305 -5.263 3.435
109 HA LYS 20 HA LYS 20 1.782 -6.887 5.292
110 HB2 LYS 20 1HB LYS 20 2.552 -4.786 6.137
111 HB3 LYS 20 2HB LYS 20 1.888 -3.919 4.759
112 HG2 LYS 20 1HG LYS 20 -0.330 -4.237 5.506
113 HG3 LYS 20 2HG LYS 20 0.171 -5.425 6.711
114 HD2 LYS 20 1HD LYS 20 1.121 -2.572 6.767
115 HD3 LYS 20 2HD LYS 20 -0.370 -3.088 7.559
116 HE2 LYS 20 1HE LYS 20 0.759 -4.411 9.096
117 HE3 LYS 20 2HE LYS 20 2.201 -4.525 8.089
118 HZ1 LYS 20 3HZ LYS 20 1.273 -2.106 9.540
119 HZ2 LYS 20 1HZ LYS 20 2.631 -2.176 8.534
120 HZ3 LYS 20 2HZ LYS 20 2.590 -3.078 9.964
121 H ALA 21 H ALA 21 -0.517 -6.941 5.364
122 HA ALA 21 HA ALA 21 -1.715 -6.945 2.711
123 HB1 ALA 21 3HB ALA 21 -2.464 -8.857 3.622
124 HB2 ALA 21 1HB ALA 21 -2.252 -8.275 5.273
125 HB3 ALA 21 2HB ALA 21 -3.686 -7.817 4.353
126 H PHE 22 H PHE 22 -3.304 -5.606 2.031
127 HA PHE 22 HA PHE 22 -4.446 -3.706 3.957
128 HB2 PHE 22 1HB PHE 22 -3.052 -3.075 1.368
129 HB3 PHE 22 2HB PHE 22 -4.271 -1.988 2.026
130 HD1 PHE 22 HD2 PHE 22 -0.933 -3.416 2.516
131 HD2 PHE 22 HD1 PHE 22 -3.838 -0.675 3.986
132 HE1 PHE 22 HE2 PHE 22 0.773 -2.387 3.959
133 HE2 PHE 22 HE1 PHE 22 -2.137 0.359 5.432
134 HZ PHE 22 HZ PHE 22 0.172 -0.498 5.421
135 H ASN 23 H ASN 23 -6.522 -2.959 3.477
136 HA ASN 23 HA ASN 23 -8.055 -4.732 1.779
137 HB2 ASN 23 1HB ASN 23 -9.015 -4.240 3.917
138 HB3 ASN 23 2HB ASN 23 -8.842 -2.506 3.663
139 HD21 ASN 23 1HD2 ASN 23 -10.393 -5.361 2.257
140 HD22 ASN 23 2HD2 ASN 23 -11.839 -4.549 1.771
141 H THR 24 H THR 24 -7.360 -1.260 1.976
142 HA THR 24 HA THR 24 -8.433 -0.963 -0.754
143 HB THR 24 HB THR 24 -8.721 1.430 -0.258
144 HG1 THR 24 HG1 THR 24 -7.595 0.639 2.213
145 HG21 THR 24 3HG2 THR 24 -10.365 0.944 1.821
146 HG22 THR 24 1HG2 THR 24 -10.092 -0.704 1.258
147 HG23 THR 24 2HG2 THR 24 -10.749 0.506 0.156
148 H LYS 25 H LYS 25 -7.203 -0.003 -2.321
149 HA LYS 25 HA LYS 25 -4.423 -0.205 -2.180
150 HB2 LYS 25 1HB LYS 25 -5.645 -0.228 -4.297
151 HB3 LYS 25 2HB LYS 25 -6.115 1.451 -4.062
152 HG2 LYS 25 1HG LYS 25 -4.352 1.612 -5.543
153 HG3 LYS 25 2HG LYS 25 -3.576 1.911 -3.986
154 HD2 LYS 25 1HD LYS 25 -2.481 -0.101 -3.992
155 HD3 LYS 25 2HD LYS 25 -3.711 -0.891 -4.980
156 HE2 LYS 25 1HE LYS 25 -2.027 -0.713 -6.515
157 HE3 LYS 25 2HE LYS 25 -2.856 0.817 -6.797
158 HZ1 LYS 25 3HZ LYS 25 -0.215 0.332 -5.792
159 HZ2 LYS 25 1HZ LYS 25 -1.092 1.403 -4.819
160 HZ3 LYS 25 2HZ LYS 25 -0.873 1.739 -6.462
161 H SER 26 H SER 26 -6.422 2.749 -2.187
162 HA SER 26 HA SER 26 -4.544 4.686 -1.945
163 HB2 SER 26 1HB SER 26 -6.189 5.997 -0.643
164 HB3 SER 26 2HB SER 26 -6.938 5.177 -2.012
165 HG SER 26 HG SER 26 -7.351 4.841 0.679
166 H ASN 27 H ASN 27 -5.863 2.784 0.756
167 HA ASN 27 HA ASN 27 -4.395 3.968 2.810
168 HB2 ASN 27 1HB ASN 27 -5.615 1.243 2.464
169 HB3 ASN 27 2HB ASN 27 -4.685 1.632 3.908
170 HD21 ASN 27 1HD2 ASN 27 -7.051 0.992 4.557
171 HD22 ASN 27 2HD2 ASN 27 -8.091 2.340 4.852
172 H LEU 28 H LEU 28 -3.600 1.181 0.764
173 HA LEU 28 HA LEU 28 -1.207 0.441 1.977
174 HB2 LEU 28 1HB LEU 28 -2.184 -0.993 0.359
175 HB3 LEU 28 2HB LEU 28 -2.135 0.261 -0.878
176 HG LEU 28 HG LEU 28 0.323 0.094 -0.919
177 HD11 LEU 28 1HD1 LEU 28 0.670 -2.420 0.343
178 HD12 LEU 28 2HD1 LEU 28 -0.091 -1.329 1.500
179 HD13 LEU 28 3HD1 LEU 28 1.431 -0.877 0.732
180 HD21 LEU 28 3HD2 LEU 28 -0.867 -2.641 -1.281
181 HD22 LEU 28 1HD2 LEU 28 0.420 -1.868 -2.207
182 HD23 LEU 28 2HD2 LEU 28 -1.242 -1.299 -2.364
183 H ILE 29 H ILE 29 -1.646 2.549 -0.867
184 HA ILE 29 HA ILE 29 0.973 3.281 -1.285
185 HB ILE 29 HB ILE 29 -1.450 5.061 -1.577
186 HG12 ILE 29 1HG1 ILE 29 -0.116 3.547 -3.799
187 HG13 ILE 29 2HG1 ILE 29 -1.304 2.746 -2.777
188 HG21 ILE 29 1HG2 ILE 29 1.311 5.254 -2.769
189 HG22 ILE 29 2HG2 ILE 29 -0.069 6.225 -3.277
190 HG23 ILE 29 3HG2 ILE 29 0.560 6.379 -1.637
191 HD11 ILE 29 3HD1 ILE 29 -2.969 4.406 -3.395
192 HD12 ILE 29 1HD1 ILE 29 -1.779 5.236 -4.398
193 HD13 ILE 29 2HD1 ILE 29 -2.305 3.605 -4.819
194 H VAL 30 H VAL 30 -1.374 4.783 0.916
195 HA VAL 30 HA VAL 30 0.287 6.862 1.825
196 HB VAL 30 HB VAL 30 -1.986 5.479 3.257
197 HG11 VAL 30 1HG1 VAL 30 -0.613 6.650 4.856
198 HG12 VAL 30 2HG1 VAL 30 -0.602 8.094 3.841
199 HG13 VAL 30 3HG1 VAL 30 -2.103 7.557 4.596
200 HG21 VAL 30 3HG2 VAL 30 -2.007 8.088 1.749
201 HG22 VAL 30 1HG2 VAL 30 -2.505 6.547 1.050
202 HG23 VAL 30 2HG2 VAL 30 -3.387 7.220 2.420
203 H HIS 31 H HIS 31 0.376 3.508 2.417
204 HA HIS 31 HA HIS 31 1.850 3.801 4.922
205 HB2 HIS 31 1HB HIS 31 0.340 2.023 5.094
206 HB3 HIS 31 2HB HIS 31 0.660 1.467 3.454
207 HD1 HIS 31 HD1 HIS 31 2.099 1.381 6.925
208 HD2 HIS 31 HD2 HIS 31 2.750 -0.334 3.197
209 HE1 HIS 31 HE1 HIS 31 3.764 -0.463 7.315
210 H GLN 32 H GLN 32 2.291 2.338 1.706
211 HA GLN 32 HA GLN 32 4.821 1.380 1.851
212 HB2 GLN 32 1HB GLN 32 3.332 2.759 -0.342
213 HB3 GLN 32 2HB GLN 32 5.029 2.367 -0.586
214 HG2 GLN 32 1HG GLN 32 4.593 0.030 -0.229
215 HG3 GLN 32 2HG GLN 32 2.914 0.372 0.186
216 HE21 GLN 32 1HE2 GLN 32 4.389 -1.150 -2.026
217 HE22 GLN 32 2HE2 GLN 32 3.596 -0.626 -3.469
218 H ARG 33 H ARG 33 3.910 4.774 1.441
219 HA ARG 33 HA ARG 33 6.373 5.913 0.966
220 HB2 ARG 33 1HB ARG 33 5.477 7.967 1.824
221 HB3 ARG 33 2HB ARG 33 4.178 7.108 1.008
222 HG2 ARG 33 1HG ARG 33 3.317 6.347 3.158
223 HG3 ARG 33 2HG ARG 33 4.629 7.189 3.984
224 HD2 ARG 33 1HD ARG 33 3.817 9.318 3.034
225 HD3 ARG 33 2HD ARG 33 2.472 8.450 2.295
226 HE ARG 33 HE ARG 33 1.454 8.307 4.359
227 HH11 ARG 33 1HH1 ARG 33 4.713 9.479 4.712
228 HH12 ARG 33 2HH1 ARG 33 4.507 9.937 6.370
229 HH21 ARG 33 1HH2 ARG 33 1.171 8.906 6.541
230 HH22 ARG 33 2HH2 ARG 33 2.492 9.610 7.410
231 H THR 34 H THR 34 4.983 4.884 4.041
232 HA THR 34 HA THR 34 6.658 5.977 5.885
233 HB THR 34 HB THR 34 6.306 4.030 7.301
234 HG1 THR 34 HG1 THR 34 6.643 2.385 5.756
235 HG21 THR 34 3HG2 THR 34 3.724 3.750 6.732
236 HG22 THR 34 1HG2 THR 34 4.064 5.127 5.686
237 HG23 THR 34 2HG2 THR 34 4.371 5.240 7.419
238 H HIS 35 H HIS 35 7.351 3.230 3.777
239 HA HIS 35 HA HIS 35 9.852 2.573 4.943
240 HB2 HIS 35 1HB HIS 35 8.789 2.018 2.165
241 HB3 HIS 35 2HB HIS 35 10.230 1.281 2.860
242 HD1 HIS 35 HD1 HIS 35 9.617 0.008 5.296
243 HD2 HIS 35 HD2 HIS 35 6.616 0.452 2.457
244 HE1 HIS 35 HE1 HIS 35 7.870 -1.699 5.893
245 H THR 36 H THR 36 9.173 4.098 1.787
246 HA THR 36 HA THR 36 11.846 4.989 1.435
247 HB THR 36 HB THR 36 10.219 4.597 -0.432
248 HG1 THR 36 HG1 THR 36 11.852 6.826 -0.118
249 HG21 THR 36 3HG2 THR 36 8.292 5.710 -0.570
250 HG22 THR 36 1HG2 THR 36 9.119 7.261 -0.439
251 HG23 THR 36 2HG2 THR 36 8.635 6.394 1.019
252 H GLY 37 H GLY 37 12.780 6.973 1.760
253 HA2 GLY 37 1HA GLY 37 11.449 9.361 2.359
254 HA3 GLY 37 2HA GLY 37 11.815 8.562 3.880
255 H GLU 38 H GLU 38 14.287 7.381 3.041
256 HA GLU 38 HA GLU 38 15.989 9.683 3.403
257 HB2 GLU 38 1HB GLU 38 16.464 6.714 3.329
258 HB3 GLU 38 2HB GLU 38 17.806 7.851 3.337
259 HG2 GLU 38 1HG GLU 38 16.655 8.842 5.422
260 HG3 GLU 38 2HG GLU 38 15.781 7.312 5.467
261 H LYS 39 H LYS 39 14.728 9.886 0.976
262 HA LYS 39 HA LYS 39 16.999 9.653 -0.862
263 HB2 LYS 39 1HB LYS 39 14.205 8.644 -1.318
264 HB3 LYS 39 2HB LYS 39 15.218 9.131 -2.671
265 HG2 LYS 39 1HG LYS 39 16.955 7.514 -1.639
266 HG3 LYS 39 2HG LYS 39 15.567 6.848 -0.776
267 HD2 LYS 39 1HD LYS 39 15.790 5.557 -2.743
268 HD3 LYS 39 2HD LYS 39 14.432 6.647 -3.032
269 HE2 LYS 39 1HE LYS 39 15.861 6.548 -4.989
270 HE3 LYS 39 2HE LYS 39 15.927 8.155 -4.268
271 HZ1 LYS 39 3HZ LYS 39 18.080 7.911 -3.704
272 HZ2 LYS 39 1HZ LYS 39 18.085 6.779 -4.962
273 HZ3 LYS 39 2HZ LYS 39 17.936 6.262 -3.359
274 HA PRO 40 HA PRO 40 16.033 13.854 -1.756
275 HB2 PRO 40 1HB PRO 40 17.254 14.074 -4.170
276 HB3 PRO 40 2HB PRO 40 18.146 13.994 -2.647
277 HG2 PRO 40 1HG PRO 40 17.594 11.825 -4.635
278 HG3 PRO 40 2HG PRO 40 19.097 12.193 -3.768
279 HD2 PRO 40 1HD PRO 40 17.423 10.206 -3.004
280 HD3 PRO 40 2HD PRO 40 18.394 11.136 -1.844
281 H SER 41 H SER 41 15.604 11.580 -4.468
282 HA SER 41 HA SER 41 13.426 13.231 -5.503
283 HB2 SER 41 1HB SER 41 15.178 12.396 -7.063
284 HB3 SER 41 2HB SER 41 14.673 10.746 -6.702
285 HG SER 41 HG SER 41 12.474 11.819 -7.346
286 H GLY 42 H GLY 42 14.005 9.786 -4.763
287 HA2 GLY 42 1HA GLY 42 12.397 8.696 -3.247
288 HA3 GLY 42 2HA GLY 42 11.134 9.578 -4.093
289 HA PRO 43 HA PRO 43 10.544 6.262 -6.890
290 HB2 PRO 43 1HB PRO 43 10.149 7.519 -9.263
291 HB3 PRO 43 2HB PRO 43 8.962 7.544 -7.954
292 HG2 PRO 43 1HG PRO 43 10.975 9.621 -8.725
293 HG3 PRO 43 2HG PRO 43 9.276 9.828 -8.259
294 HD2 PRO 43 1HD PRO 43 11.322 10.270 -6.541
295 HD3 PRO 43 2HD PRO 43 9.743 9.660 -6.008
296 H SER 44 H SER 44 11.207 5.568 -9.273
297 HA SER 44 HA SER 44 14.135 5.734 -9.345
298 HB2 SER 44 1HB SER 44 12.148 3.677 -10.236
299 HB3 SER 44 2HB SER 44 13.734 3.734 -11.005
300 HG SER 44 HG SER 44 14.671 3.144 -9.165
301 H SER 45 H SER 45 11.436 5.512 -11.670
302 HA SER 45 HA SER 45 13.068 6.953 -13.629
303 HB2 SER 45 1HB SER 45 12.130 4.963 -14.544
304 HB3 SER 45 2HB SER 45 10.538 5.322 -13.876
305 HG SER 45 HG SER 45 10.818 5.788 -16.167
306 H GLY 46 H GLY 46 12.117 8.694 -14.874
307 HA2 GLY 46 1HA GLY 46 9.761 9.980 -14.610
308 HA3 GLY 46 2HA GLY 46 10.624 10.493 -13.167
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -9.621 -33.277 7.090
2 HA2 GLY 1 1HA GLY 1 -6.963 -32.117 6.656
3 HA3 GLY 1 2HA GLY 1 -8.278 -31.035 7.091
4 H SER 2 H SER 2 -6.615 -33.981 8.180
5 HA SER 2 HA SER 2 -7.602 -33.896 10.825
6 HB2 SER 2 1HB SER 2 -6.622 -35.924 9.802
7 HB3 SER 2 2HB SER 2 -5.038 -35.149 9.810
8 HG SER 2 HG SER 2 -5.764 -36.616 11.658
9 H SER 3 H SER 3 -4.359 -33.064 9.589
10 HA SER 3 HA SER 3 -3.492 -31.880 12.006
11 HB2 SER 3 1HB SER 3 -2.079 -32.747 10.026
12 HB3 SER 3 2HB SER 3 -2.374 -31.167 9.302
13 HG SER 3 HG SER 3 -1.411 -30.220 11.132
14 H GLY 4 H GLY 4 -4.818 -30.519 9.011
15 HA2 GLY 4 1HA GLY 4 -6.289 -28.622 9.079
16 HA3 GLY 4 2HA GLY 4 -5.445 -28.069 10.518
17 H SER 5 H SER 5 -4.142 -29.146 7.398
18 HA SER 5 HA SER 5 -2.461 -26.793 7.291
19 HB2 SER 5 1HB SER 5 -1.603 -29.046 6.663
20 HB3 SER 5 2HB SER 5 -2.711 -29.053 5.291
21 HG SER 5 HG SER 5 -1.629 -27.126 4.572
22 H SER 6 H SER 6 -4.140 -25.209 7.052
23 HA SER 6 HA SER 6 -4.728 -24.664 4.283
24 HB2 SER 6 1HB SER 6 -6.840 -25.553 6.191
25 HB3 SER 6 2HB SER 6 -7.241 -24.252 5.071
26 HG SER 6 HG SER 6 -6.123 -25.925 3.532
27 H GLY 7 H GLY 7 -6.103 -22.554 4.167
28 HA2 GLY 7 1HA GLY 7 -5.762 -20.787 6.440
29 HA3 GLY 7 2HA GLY 7 -4.733 -20.422 5.063
30 H THR 8 H THR 8 -6.693 -18.678 6.125
31 HA THR 8 HA THR 8 -8.229 -18.205 3.716
32 HB THR 8 HB THR 8 -9.706 -19.683 5.071
33 HG1 THR 8 HG1 THR 8 -10.854 -17.105 5.070
34 HG21 THR 8 3HG2 THR 8 -10.169 -17.446 6.983
35 HG22 THR 8 1HG2 THR 8 -8.789 -18.509 7.255
36 HG23 THR 8 2HG2 THR 8 -10.419 -19.179 7.193
37 H GLY 9 H GLY 9 -8.271 -16.089 3.296
38 HA2 GLY 9 1HA GLY 9 -8.876 -13.856 4.222
39 HA3 GLY 9 2HA GLY 9 -7.786 -14.235 5.547
40 H GLU 10 H GLU 10 -7.875 -13.790 2.027
41 HA GLU 10 HA GLU 10 -5.072 -12.896 2.154
42 HB2 GLU 10 1HB GLU 10 -6.650 -14.343 0.086
43 HB3 GLU 10 2HB GLU 10 -5.406 -13.231 -0.468
44 HG2 GLU 10 1HG GLU 10 -4.554 -15.497 -0.315
45 HG3 GLU 10 2HG GLU 10 -3.734 -14.432 0.827
46 H LYS 11 H LYS 11 -4.534 -10.885 1.503
47 HA LYS 11 HA LYS 11 -6.734 -9.075 0.844
48 HB2 LYS 11 1HB LYS 11 -3.983 -8.716 1.970
49 HB3 LYS 11 2HB LYS 11 -4.777 -7.357 1.185
50 HG2 LYS 11 1HG LYS 11 -5.154 -7.245 3.553
51 HG3 LYS 11 2HG LYS 11 -6.677 -7.610 2.738
52 HD2 LYS 11 1HD LYS 11 -6.365 -9.994 3.274
53 HD3 LYS 11 2HD LYS 11 -4.875 -9.593 4.131
54 HE2 LYS 11 1HE LYS 11 -7.493 -8.311 4.846
55 HE3 LYS 11 2HE LYS 11 -7.030 -9.881 5.502
56 HZ1 LYS 11 3HZ LYS 11 -4.947 -8.785 6.289
57 HZ2 LYS 11 1HZ LYS 11 -6.358 -8.240 7.047
58 HZ3 LYS 11 2HZ LYS 11 -5.621 -7.296 5.853
59 HA PRO 12 HA PRO 12 -5.580 -8.753 -3.391
60 HB2 PRO 12 1HB PRO 12 -6.623 -6.307 -3.941
61 HB3 PRO 12 2HB PRO 12 -7.621 -7.748 -3.716
62 HG2 PRO 12 1HG PRO 12 -6.998 -5.555 -1.776
63 HG3 PRO 12 2HG PRO 12 -8.546 -6.359 -2.097
64 HD2 PRO 12 1HD PRO 12 -6.990 -6.988 0.029
65 HD3 PRO 12 2HD PRO 12 -8.011 -8.184 -0.795
66 H PHE 13 H PHE 13 -4.915 -5.971 -1.290
67 HA PHE 13 HA PHE 13 -2.588 -5.323 -2.970
68 HB2 PHE 13 1HB PHE 13 -3.815 -3.525 -0.883
69 HB3 PHE 13 2HB PHE 13 -2.712 -3.084 -2.183
70 HD1 PHE 13 HD1 PHE 13 -3.523 -3.083 -4.532
71 HD2 PHE 13 HD2 PHE 13 -6.148 -3.603 -1.223
72 HE1 PHE 13 HE1 PHE 13 -5.439 -2.517 -5.968
73 HE2 PHE 13 HE2 PHE 13 -8.069 -3.039 -2.653
74 HZ PHE 13 HZ PHE 13 -7.716 -2.496 -5.029
75 H GLU 14 H GLU 14 -0.592 -5.566 -2.182
76 HA GLU 14 HA GLU 14 -0.213 -5.766 0.718
77 HB2 GLU 14 1HB GLU 14 -0.419 -8.062 -0.158
78 HB3 GLU 14 2HB GLU 14 0.896 -7.745 -1.281
79 HG2 GLU 14 1HG GLU 14 2.464 -7.527 0.499
80 HG3 GLU 14 2HG GLU 14 1.181 -7.576 1.707
81 H CYS 15 H CYS 15 1.641 -4.867 1.460
82 HA CYS 15 HA CYS 15 3.017 -2.993 -0.044
83 HB2 CYS 15 1HB CYS 15 2.925 -3.486 2.559
84 HB3 CYS 15 2HB CYS 15 4.434 -4.329 2.220
85 H SER 16 H SER 16 5.443 -2.995 -0.406
86 HA SER 16 HA SER 16 6.171 -5.503 -1.758
87 HB2 SER 16 1HB SER 16 6.844 -2.622 -2.288
88 HB3 SER 16 2HB SER 16 7.869 -3.910 -2.920
89 HG SER 16 HG SER 16 6.397 -3.600 -4.487
90 H GLU 17 H GLU 17 7.161 -3.205 0.653
91 HA GLU 17 HA GLU 17 9.814 -4.359 0.911
92 HB2 GLU 17 1HB GLU 17 8.369 -2.103 2.277
93 HB3 GLU 17 2HB GLU 17 9.889 -2.724 2.907
94 HG2 GLU 17 1HG GLU 17 9.472 -1.607 0.144
95 HG3 GLU 17 2HG GLU 17 10.203 -0.751 1.500
96 H CYS 18 H CYS 18 7.240 -3.707 3.294
97 HA CYS 18 HA CYS 18 8.176 -5.888 4.947
98 HB2 CYS 18 1HB CYS 18 6.537 -5.133 6.558
99 HB3 CYS 18 2HB CYS 18 7.398 -3.735 5.923
100 H GLN 19 H GLN 19 5.946 -5.485 2.429
101 HA GLN 19 HA GLN 19 4.421 -6.865 1.460
102 HB2 GLN 19 1HB GLN 19 5.727 -8.902 3.270
103 HB3 GLN 19 2HB GLN 19 4.560 -9.299 2.016
104 HG2 GLN 19 1HG GLN 19 6.971 -7.734 1.264
105 HG3 GLN 19 2HG GLN 19 7.145 -9.458 1.588
106 HE21 GLN 19 1HE2 GLN 19 6.595 -7.229 -0.760
107 HE22 GLN 19 2HE2 GLN 19 5.831 -8.233 -1.940
108 H LYS 20 H LYS 20 3.571 -5.286 3.620
109 HA LYS 20 HA LYS 20 1.948 -6.854 5.396
110 HB2 LYS 20 1HB LYS 20 2.846 -4.702 6.119
111 HB3 LYS 20 2HB LYS 20 1.972 -3.883 4.831
112 HG2 LYS 20 1HG LYS 20 0.533 -3.487 6.530
113 HG3 LYS 20 2HG LYS 20 -0.096 -5.054 6.016
114 HD2 LYS 20 1HD LYS 20 2.090 -5.039 8.025
115 HD3 LYS 20 2HD LYS 20 0.489 -4.519 8.556
116 HE2 LYS 20 1HE LYS 20 0.753 -7.037 6.979
117 HE3 LYS 20 2HE LYS 20 1.201 -7.043 8.684
118 HZ1 LYS 20 3HZ LYS 20 -1.386 -7.060 7.510
119 HZ2 LYS 20 1HZ LYS 20 -1.222 -5.748 8.565
120 HZ3 LYS 20 2HZ LYS 20 -0.941 -7.320 9.121
121 H ALA 21 H ALA 21 -0.286 -7.076 5.393
122 HA ALA 21 HA ALA 21 -1.517 -6.881 2.763
123 HB1 ALA 21 3HB ALA 21 -3.388 -8.146 3.903
124 HB2 ALA 21 1HB ALA 21 -1.837 -8.978 3.797
125 HB3 ALA 21 2HB ALA 21 -2.339 -8.238 5.318
126 H PHE 22 H PHE 22 -3.252 -5.623 2.251
127 HA PHE 22 HA PHE 22 -4.368 -3.901 4.353
128 HB2 PHE 22 1HB PHE 22 -3.193 -3.055 1.716
129 HB3 PHE 22 2HB PHE 22 -4.405 -2.071 2.530
130 HD1 PHE 22 HD2 PHE 22 -0.972 -3.322 2.644
131 HD2 PHE 22 HD1 PHE 22 -3.890 -0.892 4.567
132 HE1 PHE 22 HE2 PHE 22 0.793 -2.298 4.020
133 HE2 PHE 22 HE1 PHE 22 -2.130 0.136 5.945
134 HZ PHE 22 HZ PHE 22 0.215 -0.567 5.674
135 H ASN 23 H ASN 23 -6.312 -2.621 3.346
136 HA ASN 23 HA ASN 23 -8.041 -4.641 2.132
137 HB2 ASN 23 1HB ASN 23 -8.575 -2.090 3.641
138 HB3 ASN 23 2HB ASN 23 -9.846 -2.907 2.737
139 HD21 ASN 23 1HD2 ASN 23 -7.981 -2.851 5.588
140 HD22 ASN 23 2HD2 ASN 23 -8.673 -4.242 6.344
141 H THR 24 H THR 24 -7.384 -1.155 1.766
142 HA THR 24 HA THR 24 -8.194 -1.393 -1.058
143 HB THR 24 HB THR 24 -8.627 1.037 -1.004
144 HG1 THR 24 HG1 THR 24 -7.726 0.710 1.650
145 HG21 THR 24 3HG2 THR 24 -10.111 -0.995 0.404
146 HG22 THR 24 1HG2 THR 24 -10.704 0.340 -0.583
147 HG23 THR 24 2HG2 THR 24 -10.380 0.588 1.133
148 H LYS 25 H LYS 25 -7.028 -0.068 -2.606
149 HA LYS 25 HA LYS 25 -4.221 -0.314 -2.329
150 HB2 LYS 25 1HB LYS 25 -5.204 -0.474 -4.515
151 HB3 LYS 25 2HB LYS 25 -5.926 1.122 -4.366
152 HG2 LYS 25 1HG LYS 25 -3.934 2.210 -4.739
153 HG3 LYS 25 2HG LYS 25 -2.962 0.834 -4.209
154 HD2 LYS 25 1HD LYS 25 -2.653 0.753 -6.490
155 HD3 LYS 25 2HD LYS 25 -4.024 -0.340 -6.291
156 HE2 LYS 25 1HE LYS 25 -5.521 1.623 -6.761
157 HE3 LYS 25 2HE LYS 25 -4.074 2.536 -7.187
158 HZ1 LYS 25 3HZ LYS 25 -3.634 1.076 -8.980
159 HZ2 LYS 25 1HZ LYS 25 -5.270 1.492 -9.094
160 HZ3 LYS 25 2HZ LYS 25 -4.823 -0.022 -8.487
161 H SER 26 H SER 26 -6.325 2.558 -2.486
162 HA SER 26 HA SER 26 -4.512 4.570 -2.252
163 HB2 SER 26 1HB SER 26 -7.292 4.221 -1.222
164 HB3 SER 26 2HB SER 26 -6.374 5.625 -0.677
165 HG SER 26 HG SER 26 -7.358 6.280 -2.513
166 H ASN 27 H ASN 27 -5.934 2.778 0.478
167 HA ASN 27 HA ASN 27 -4.541 4.065 2.524
168 HB2 ASN 27 1HB ASN 27 -5.914 1.436 2.239
169 HB3 ASN 27 2HB ASN 27 -4.855 1.658 3.628
170 HD21 ASN 27 1HD2 ASN 27 -7.398 3.401 1.870
171 HD22 ASN 27 2HD2 ASN 27 -8.205 3.989 3.279
172 H LEU 28 H LEU 28 -3.673 1.218 0.607
173 HA LEU 28 HA LEU 28 -1.346 0.498 1.971
174 HB2 LEU 28 1HB LEU 28 -2.202 -1.025 0.400
175 HB3 LEU 28 2HB LEU 28 -2.215 0.181 -0.884
176 HG LEU 28 HG LEU 28 0.263 0.122 -0.904
177 HD11 LEU 28 1HD1 LEU 28 0.586 -2.400 0.420
178 HD12 LEU 28 2HD1 LEU 28 -0.078 -1.210 1.539
179 HD13 LEU 28 3HD1 LEU 28 1.433 -0.877 0.691
180 HD21 LEU 28 3HD2 LEU 28 -0.630 -2.696 -1.256
181 HD22 LEU 28 1HD2 LEU 28 0.352 -1.679 -2.312
182 HD23 LEU 28 2HD2 LEU 28 -1.393 -1.436 -2.228
183 H ILE 29 H ILE 29 -1.732 2.620 -0.860
184 HA ILE 29 HA ILE 29 0.901 3.277 -1.321
185 HB ILE 29 HB ILE 29 -1.483 5.122 -1.524
186 HG12 ILE 29 1HG1 ILE 29 -0.179 3.598 -3.769
187 HG13 ILE 29 2HG1 ILE 29 -1.456 2.875 -2.797
188 HG21 ILE 29 1HG2 ILE 29 1.364 5.407 -2.288
189 HG22 ILE 29 2HG2 ILE 29 0.159 6.002 -3.428
190 HG23 ILE 29 3HG2 ILE 29 0.197 6.628 -1.780
191 HD11 ILE 29 3HD1 ILE 29 -2.759 5.043 -3.406
192 HD12 ILE 29 1HD1 ILE 29 -1.594 5.137 -4.726
193 HD13 ILE 29 2HD1 ILE 29 -2.636 3.722 -4.567
194 H VAL 30 H VAL 30 -1.361 4.889 0.903
195 HA VAL 30 HA VAL 30 0.347 6.881 1.835
196 HB VAL 30 HB VAL 30 -1.844 5.449 3.344
197 HG11 VAL 30 1HG1 VAL 30 -0.220 6.694 4.777
198 HG12 VAL 30 2HG1 VAL 30 -0.665 8.164 3.907
199 HG13 VAL 30 3HG1 VAL 30 -1.874 7.300 4.856
200 HG21 VAL 30 3HG2 VAL 30 -3.038 6.401 1.666
201 HG22 VAL 30 1HG2 VAL 30 -2.898 7.821 2.703
202 HG23 VAL 30 2HG2 VAL 30 -1.806 7.619 1.332
203 H HIS 31 H HIS 31 0.174 3.493 2.632
204 HA HIS 31 HA HIS 31 1.831 3.720 4.980
205 HB2 HIS 31 1HB HIS 31 0.346 1.914 5.094
206 HB3 HIS 31 2HB HIS 31 0.664 1.424 3.433
207 HD1 HIS 31 HD1 HIS 31 2.180 1.280 6.877
208 HD2 HIS 31 HD2 HIS 31 2.732 -0.373 3.106
209 HE1 HIS 31 HE1 HIS 31 3.866 -0.559 7.189
210 H GLN 32 H GLN 32 2.254 2.297 1.738
211 HA GLN 32 HA GLN 32 4.772 1.385 1.767
212 HB2 GLN 32 1HB GLN 32 3.404 3.050 -0.333
213 HB3 GLN 32 2HB GLN 32 5.015 2.392 -0.588
214 HG2 GLN 32 1HG GLN 32 4.138 0.133 -0.232
215 HG3 GLN 32 2HG GLN 32 2.523 0.805 -0.013
216 HE21 GLN 32 1HE2 GLN 32 3.178 -1.108 -1.947
217 HE22 GLN 32 2HE2 GLN 32 2.973 -0.399 -3.508
218 H ARG 33 H ARG 33 3.893 4.810 1.613
219 HA ARG 33 HA ARG 33 6.383 5.940 1.227
220 HB2 ARG 33 1HB ARG 33 4.563 7.232 3.200
221 HB3 ARG 33 2HB ARG 33 5.436 7.940 1.848
222 HG2 ARG 33 1HG ARG 33 3.767 6.479 0.435
223 HG3 ARG 33 2HG ARG 33 2.793 6.588 1.903
224 HD2 ARG 33 1HD ARG 33 2.864 9.001 1.817
225 HD3 ARG 33 2HD ARG 33 3.955 8.950 0.433
226 HE ARG 33 HE ARG 33 1.834 7.604 -0.492
227 HH11 ARG 33 1HH1 ARG 33 2.093 10.642 1.188
228 HH12 ARG 33 2HH1 ARG 33 0.690 11.326 0.436
229 HH21 ARG 33 1HH2 ARG 33 -0.014 8.493 -1.489
230 HH22 ARG 33 2HH2 ARG 33 -0.509 10.102 -1.086
231 H THR 34 H THR 34 4.869 4.949 4.278
232 HA THR 34 HA THR 34 6.612 5.858 6.146
233 HB THR 34 HB THR 34 4.571 4.334 6.476
234 HG1 THR 34 HG1 THR 34 5.248 4.071 8.511
235 HG21 THR 34 3HG2 THR 34 4.764 2.061 6.371
236 HG22 THR 34 1HG2 THR 34 6.491 2.081 6.724
237 HG23 THR 34 2HG2 THR 34 5.917 2.492 5.108
238 H HIS 35 H HIS 35 7.279 3.542 3.682
239 HA HIS 35 HA HIS 35 9.671 2.526 4.964
240 HB2 HIS 35 1HB HIS 35 8.437 2.053 2.249
241 HB3 HIS 35 2HB HIS 35 9.967 1.337 2.746
242 HD1 HIS 35 HD1 HIS 35 9.705 -0.084 5.136
243 HD2 HIS 35 HD2 HIS 35 6.326 0.460 2.782
244 HE1 HIS 35 HE1 HIS 35 8.077 -1.851 5.879
245 H THR 36 H THR 36 10.237 5.003 5.048
246 HA THR 36 HA THR 36 11.880 5.610 2.675
247 HB THR 36 HB THR 36 11.716 8.037 3.611
248 HG1 THR 36 HG1 THR 36 9.454 6.765 4.789
249 HG21 THR 36 3HG2 THR 36 9.303 8.118 2.476
250 HG22 THR 36 1HG2 THR 36 9.773 6.493 1.983
251 HG23 THR 36 2HG2 THR 36 10.777 7.874 1.540
252 H GLY 37 H GLY 37 11.651 5.967 6.205
253 HA2 GLY 37 1HA GLY 37 14.311 6.887 6.560
254 HA3 GLY 37 2HA GLY 37 13.275 6.216 7.812
255 H GLU 38 H GLU 38 15.724 5.550 8.218
256 HA GLU 38 HA GLU 38 15.862 2.740 7.430
257 HB2 GLU 38 1HB GLU 38 18.241 2.884 6.901
258 HB3 GLU 38 2HB GLU 38 17.303 3.923 5.838
259 HG2 GLU 38 1HG GLU 38 18.544 5.040 8.312
260 HG3 GLU 38 2HG GLU 38 19.513 4.792 6.861
261 H LYS 39 H LYS 39 17.551 1.561 8.735
262 HA LYS 39 HA LYS 39 17.404 2.509 11.502
263 HB2 LYS 39 1HB LYS 39 17.624 -0.160 10.203
264 HB3 LYS 39 2HB LYS 39 18.351 0.031 11.792
265 HG2 LYS 39 1HG LYS 39 16.220 0.734 12.711
266 HG3 LYS 39 2HG LYS 39 15.477 0.624 11.114
267 HD2 LYS 39 1HD LYS 39 16.163 -1.811 11.105
268 HD3 LYS 39 2HD LYS 39 16.566 -1.612 12.813
269 HE2 LYS 39 1HE LYS 39 14.412 -2.354 13.000
270 HE3 LYS 39 2HE LYS 39 14.126 -0.616 12.916
271 HZ1 LYS 39 3HZ LYS 39 13.390 -2.683 11.061
272 HZ2 LYS 39 1HZ LYS 39 14.139 -1.361 10.316
273 HZ3 LYS 39 2HZ LYS 39 12.752 -1.128 11.256
274 HA PRO 40 HA PRO 40 21.697 3.318 11.913
275 HB2 PRO 40 1HB PRO 40 22.252 2.327 14.379
276 HB3 PRO 40 2HB PRO 40 21.303 3.796 14.125
277 HG2 PRO 40 1HG PRO 40 20.367 1.010 14.696
278 HG3 PRO 40 2HG PRO 40 19.790 2.545 15.372
279 HD2 PRO 40 1HD PRO 40 18.484 1.243 13.388
280 HD3 PRO 40 2HD PRO 40 18.491 3.013 13.526
281 H SER 41 H SER 41 22.250 1.779 10.187
282 HA SER 41 HA SER 41 23.513 -0.671 11.232
283 HB2 SER 41 1HB SER 41 23.250 -1.629 8.990
284 HB3 SER 41 2HB SER 41 21.691 -1.111 9.629
285 HG SER 41 HG SER 41 21.746 -0.309 7.602
286 H GLY 42 H GLY 42 25.305 -1.406 9.542
287 HA2 GLY 42 1HA GLY 42 27.423 0.428 9.797
288 HA3 GLY 42 2HA GLY 42 27.443 -1.022 8.803
289 HA PRO 43 HA PRO 43 27.801 2.596 5.960
290 HB2 PRO 43 1HB PRO 43 29.691 1.451 4.382
291 HB3 PRO 43 2HB PRO 43 30.083 2.342 5.858
292 HG2 PRO 43 1HG PRO 43 29.866 -0.613 5.431
293 HG3 PRO 43 2HG PRO 43 31.085 0.300 6.340
294 HD2 PRO 43 1HD PRO 43 29.025 -0.979 7.545
295 HD3 PRO 43 2HD PRO 43 29.724 0.521 8.187
296 H SER 44 H SER 44 28.188 2.127 3.333
297 HA SER 44 HA SER 44 27.152 1.478 1.415
298 HB2 SER 44 1HB SER 44 26.844 -1.016 3.075
299 HB3 SER 44 2HB SER 44 26.182 -0.913 1.444
300 HG SER 44 HG SER 44 28.325 -1.786 1.522
301 H SER 45 H SER 45 25.705 3.173 2.977
302 HA SER 45 HA SER 45 22.980 2.110 3.085
303 HB2 SER 45 1HB SER 45 23.878 3.360 5.048
304 HB3 SER 45 2HB SER 45 24.007 4.796 4.032
305 HG SER 45 HG SER 45 22.061 4.916 5.078
306 H GLY 46 H GLY 46 22.567 2.032 0.844
307 HA2 GLY 46 1HA GLY 46 22.962 4.099 -0.985
308 HA3 GLY 46 2HA GLY 46 21.729 2.855 -1.127
Start of MODEL 4
1 H1 GLY 1 H GLY 1 9.843 -24.600 7.090
2 HA2 GLY 1 1HA GLY 1 10.430 -27.114 6.022
3 HA3 GLY 1 2HA GLY 1 10.553 -27.247 7.770
4 H SER 2 H SER 2 8.662 -26.677 9.047
5 HA SER 2 HA SER 2 6.290 -27.795 7.926
6 HB2 SER 2 1HB SER 2 6.590 -26.326 10.555
7 HB3 SER 2 2HB SER 2 5.307 -27.451 10.112
8 HG SER 2 HG SER 2 7.468 -28.075 11.342
9 H SER 3 H SER 3 4.308 -26.810 7.515
10 HA SER 3 HA SER 3 4.163 -24.551 6.076
11 HB2 SER 3 1HB SER 3 1.765 -24.325 6.844
12 HB3 SER 3 2HB SER 3 2.216 -25.933 6.279
13 HG SER 3 HG SER 3 1.974 -26.702 8.239
14 H GLY 4 H GLY 4 3.561 -22.355 6.431
15 HA2 GLY 4 1HA GLY 4 4.630 -21.320 8.957
16 HA3 GLY 4 2HA GLY 4 4.407 -20.401 7.475
17 H SER 5 H SER 5 3.105 -18.769 8.050
18 HA SER 5 HA SER 5 1.050 -18.967 9.987
19 HB2 SER 5 1HB SER 5 0.370 -16.726 9.175
20 HB3 SER 5 2HB SER 5 2.105 -16.827 9.475
21 HG SER 5 HG SER 5 2.488 -16.848 7.327
22 H SER 6 H SER 6 -1.222 -18.863 9.701
23 HA SER 6 HA SER 6 -2.361 -19.313 7.088
24 HB2 SER 6 1HB SER 6 -1.662 -21.584 7.637
25 HB3 SER 6 2HB SER 6 -2.477 -21.482 9.198
26 HG SER 6 HG SER 6 -4.361 -20.914 7.610
27 H GLY 7 H GLY 7 -4.590 -18.972 7.020
28 HA2 GLY 7 1HA GLY 7 -6.661 -18.912 8.479
29 HA3 GLY 7 2HA GLY 7 -5.709 -17.857 9.514
30 H THR 8 H THR 8 -4.771 -15.898 8.338
31 HA THR 8 HA THR 8 -6.761 -14.207 7.526
32 HB THR 8 HB THR 8 -5.005 -12.789 6.491
33 HG1 THR 8 HG1 THR 8 -2.832 -13.606 6.597
34 HG21 THR 8 3HG2 THR 8 -4.028 -12.199 8.499
35 HG22 THR 8 1HG2 THR 8 -3.825 -13.873 9.014
36 HG23 THR 8 2HG2 THR 8 -5.422 -13.126 9.054
37 H GLY 9 H GLY 9 -6.980 -13.109 5.352
38 HA2 GLY 9 1HA GLY 9 -7.154 -15.198 3.280
39 HA3 GLY 9 2HA GLY 9 -8.179 -13.773 3.368
40 H GLU 10 H GLU 10 -6.799 -14.583 1.051
41 HA GLU 10 HA GLU 10 -4.372 -13.132 0.730
42 HB2 GLU 10 1HB GLU 10 -4.995 -15.080 -0.668
43 HB3 GLU 10 2HB GLU 10 -6.286 -14.128 -1.388
44 HG2 GLU 10 1HG GLU 10 -4.563 -14.029 -2.943
45 HG3 GLU 10 2HG GLU 10 -4.457 -12.493 -2.086
46 H LYS 11 H LYS 11 -4.433 -10.988 1.077
47 HA LYS 11 HA LYS 11 -6.645 -9.340 0.329
48 HB2 LYS 11 1HB LYS 11 -3.840 -8.603 1.185
49 HB3 LYS 11 2HB LYS 11 -5.170 -7.466 1.011
50 HG2 LYS 11 1HG LYS 11 -5.263 -9.822 2.875
51 HG3 LYS 11 2HG LYS 11 -4.668 -8.230 3.353
52 HD2 LYS 11 1HD LYS 11 -6.872 -7.290 2.598
53 HD3 LYS 11 2HD LYS 11 -7.436 -8.951 2.402
54 HE2 LYS 11 1HE LYS 11 -7.193 -9.396 4.722
55 HE3 LYS 11 2HE LYS 11 -6.302 -7.898 4.984
56 HZ1 LYS 11 3HZ LYS 11 -9.086 -7.871 3.996
57 HZ2 LYS 11 1HZ LYS 11 -8.219 -6.628 4.750
58 HZ3 LYS 11 2HZ LYS 11 -8.744 -7.959 5.651
59 HA PRO 12 HA PRO 12 -5.612 -8.443 -3.851
60 HB2 PRO 12 1HB PRO 12 -6.781 -6.005 -4.096
61 HB3 PRO 12 2HB PRO 12 -7.705 -7.510 -4.018
62 HG2 PRO 12 1HG PRO 12 -7.134 -5.522 -1.853
63 HG3 PRO 12 2HG PRO 12 -8.651 -6.359 -2.232
64 HD2 PRO 12 1HD PRO 12 -7.014 -7.147 -0.224
65 HD3 PRO 12 2HD PRO 12 -7.998 -8.292 -1.158
66 H PHE 13 H PHE 13 -4.728 -6.259 -1.278
67 HA PHE 13 HA PHE 13 -2.573 -5.188 -2.979
68 HB2 PHE 13 1HB PHE 13 -3.950 -3.735 -0.712
69 HB3 PHE 13 2HB PHE 13 -2.697 -3.087 -1.766
70 HD1 PHE 13 HD1 PHE 13 -3.197 -2.641 -4.147
71 HD2 PHE 13 HD2 PHE 13 -6.222 -3.778 -1.376
72 HE1 PHE 13 HE1 PHE 13 -4.923 -1.826 -5.701
73 HE2 PHE 13 HE2 PHE 13 -7.952 -2.967 -2.926
74 HZ PHE 13 HZ PHE 13 -7.303 -1.990 -5.092
75 H GLU 14 H GLU 14 -0.569 -5.548 -2.282
76 HA GLU 14 HA GLU 14 -0.096 -6.005 0.572
77 HB2 GLU 14 1HB GLU 14 -0.401 -8.206 -0.631
78 HB3 GLU 14 2HB GLU 14 1.045 -7.820 -1.553
79 HG2 GLU 14 1HG GLU 14 2.168 -7.548 0.751
80 HG3 GLU 14 2HG GLU 14 0.778 -8.448 1.356
81 H CYS 15 H CYS 15 1.742 -5.110 1.310
82 HA CYS 15 HA CYS 15 3.153 -3.249 -0.225
83 HB2 CYS 15 1HB CYS 15 2.941 -3.601 2.387
84 HB3 CYS 15 2HB CYS 15 4.445 -4.491 2.167
85 H SER 16 H SER 16 5.689 -3.345 -0.250
86 HA SER 16 HA SER 16 6.446 -5.917 -1.475
87 HB2 SER 16 1HB SER 16 6.284 -4.046 -3.096
88 HB3 SER 16 2HB SER 16 7.495 -3.162 -2.169
89 HG SER 16 HG SER 16 8.896 -4.204 -3.324
90 H GLU 17 H GLU 17 7.331 -3.369 0.723
91 HA GLU 17 HA GLU 17 9.992 -4.422 1.171
92 HB2 GLU 17 1HB GLU 17 8.427 -2.106 2.258
93 HB3 GLU 17 2HB GLU 17 9.892 -2.641 3.069
94 HG2 GLU 17 1HG GLU 17 9.914 -2.051 0.141
95 HG3 GLU 17 2HG GLU 17 10.027 -0.748 1.322
96 H CYS 18 H CYS 18 7.170 -3.827 3.274
97 HA CYS 18 HA CYS 18 8.159 -5.853 5.129
98 HB2 CYS 18 1HB CYS 18 6.508 -4.997 6.685
99 HB3 CYS 18 2HB CYS 18 7.419 -3.653 6.005
100 H GLN 19 H GLN 19 5.989 -5.568 2.559
101 HA GLN 19 HA GLN 19 4.395 -6.930 1.678
102 HB2 GLN 19 1HB GLN 19 6.021 -8.808 3.346
103 HB3 GLN 19 2HB GLN 19 4.546 -9.389 2.586
104 HG2 GLN 19 1HG GLN 19 5.382 -9.128 0.451
105 HG3 GLN 19 2HG GLN 19 6.595 -7.953 0.960
106 HE21 GLN 19 1HE2 GLN 19 8.472 -8.838 0.418
107 HE22 GLN 19 2HE2 GLN 19 9.005 -10.417 0.872
108 H LYS 20 H LYS 20 3.269 -5.328 3.412
109 HA LYS 20 HA LYS 20 1.818 -6.844 5.429
110 HB2 LYS 20 1HB LYS 20 2.740 -4.495 5.788
111 HB3 LYS 20 2HB LYS 20 1.451 -3.932 4.733
112 HG2 LYS 20 1HG LYS 20 0.432 -3.651 6.739
113 HG3 LYS 20 2HG LYS 20 -0.041 -5.322 6.420
114 HD2 LYS 20 1HD LYS 20 2.037 -6.003 7.707
115 HD3 LYS 20 2HD LYS 20 2.156 -4.318 8.217
116 HE2 LYS 20 1HE LYS 20 1.008 -5.508 9.933
117 HE3 LYS 20 2HE LYS 20 -0.179 -4.508 9.096
118 HZ1 LYS 20 3HZ LYS 20 -0.653 -6.580 7.734
119 HZ2 LYS 20 1HZ LYS 20 -1.193 -6.580 9.338
120 HZ3 LYS 20 2HZ LYS 20 0.204 -7.434 8.917
121 H ALA 21 H ALA 21 -0.420 -7.105 5.464
122 HA ALA 21 HA ALA 21 -1.660 -7.121 2.828
123 HB1 ALA 21 3HB ALA 21 -2.724 -8.938 3.540
124 HB2 ALA 21 1HB ALA 21 -1.755 -8.847 5.010
125 HB3 ALA 21 2HB ALA 21 -3.349 -8.094 4.957
126 H PHE 22 H PHE 22 -3.045 -5.620 2.167
127 HA PHE 22 HA PHE 22 -4.355 -3.931 4.195
128 HB2 PHE 22 1HB PHE 22 -3.178 -3.198 1.521
129 HB3 PHE 22 2HB PHE 22 -4.364 -2.174 2.322
130 HD1 PHE 22 HD1 PHE 22 -3.812 -1.008 4.385
131 HD2 PHE 22 HD2 PHE 22 -0.933 -3.391 2.348
132 HE1 PHE 22 HE1 PHE 22 -2.017 0.042 5.700
133 HE2 PHE 22 HE2 PHE 22 0.866 -2.346 3.660
134 HZ PHE 22 HZ PHE 22 0.326 -0.627 5.339
135 H ASN 23 H ASN 23 -6.295 -2.720 3.115
136 HA ASN 23 HA ASN 23 -7.942 -4.790 1.843
137 HB2 ASN 23 1HB ASN 23 -9.833 -3.178 2.562
138 HB3 ASN 23 2HB ASN 23 -9.014 -4.111 3.811
139 HD21 ASN 23 1HD2 ASN 23 -9.951 -1.060 2.804
140 HD22 ASN 23 2HD2 ASN 23 -9.040 -0.123 3.934
141 H THR 24 H THR 24 -7.225 -1.316 1.657
142 HA THR 24 HA THR 24 -8.126 -1.372 -1.150
143 HB THR 24 HB THR 24 -8.539 1.099 -0.883
144 HG1 THR 24 HG1 THR 24 -8.976 1.487 1.549
145 HG21 THR 24 3HG2 THR 24 -10.153 -1.077 -0.238
146 HG22 THR 24 1HG2 THR 24 -10.688 0.568 -0.581
147 HG23 THR 24 2HG2 THR 24 -10.396 0.065 1.084
148 H LYS 25 H LYS 25 -7.032 0.178 -2.579
149 HA LYS 25 HA LYS 25 -4.217 -0.037 -2.370
150 HB2 LYS 25 1HB LYS 25 -5.785 0.233 -4.462
151 HB3 LYS 25 2HB LYS 25 -5.518 1.950 -4.192
152 HG2 LYS 25 1HG LYS 25 -3.107 1.607 -4.380
153 HG3 LYS 25 2HG LYS 25 -3.375 -0.117 -4.652
154 HD2 LYS 25 1HD LYS 25 -4.562 0.344 -6.700
155 HD3 LYS 25 2HD LYS 25 -4.475 2.082 -6.401
156 HE2 LYS 25 1HE LYS 25 -1.953 1.811 -6.424
157 HE3 LYS 25 2HE LYS 25 -2.230 0.190 -7.059
158 HZ1 LYS 25 3HZ LYS 25 -3.468 1.213 -8.905
159 HZ2 LYS 25 1HZ LYS 25 -1.849 1.702 -8.862
160 HZ3 LYS 25 2HZ LYS 25 -3.062 2.747 -8.318
161 H SER 26 H SER 26 -6.327 2.840 -2.311
162 HA SER 26 HA SER 26 -4.541 4.818 -1.836
163 HB2 SER 26 1HB SER 26 -7.157 4.541 -0.339
164 HB3 SER 26 2HB SER 26 -6.291 6.040 -0.677
165 HG SER 26 HG SER 26 -6.567 5.093 -3.002
166 H ASN 27 H ASN 27 -6.008 2.796 0.705
167 HA ASN 27 HA ASN 27 -4.711 3.867 2.900
168 HB2 ASN 27 1HB ASN 27 -5.843 1.171 2.276
169 HB3 ASN 27 2HB ASN 27 -4.895 1.369 3.747
170 HD21 ASN 27 1HD2 ASN 27 -7.407 0.636 4.085
171 HD22 ASN 27 2HD2 ASN 27 -8.383 1.941 4.661
172 H LEU 28 H LEU 28 -3.667 1.101 0.910
173 HA LEU 28 HA LEU 28 -1.265 0.585 2.223
174 HB2 LEU 28 1HB LEU 28 -2.006 -1.033 0.708
175 HB3 LEU 28 2HB LEU 28 -2.197 0.143 -0.591
176 HG LEU 28 HG LEU 28 0.267 0.321 -0.740
177 HD11 LEU 28 1HD1 LEU 28 0.216 -1.920 1.275
178 HD12 LEU 28 2HD1 LEU 28 0.853 -0.296 1.526
179 HD13 LEU 28 3HD1 LEU 28 1.638 -1.383 0.381
180 HD21 LEU 28 3HD2 LEU 28 -1.037 -1.225 -2.167
181 HD22 LEU 28 1HD2 LEU 28 -0.740 -2.509 -0.995
182 HD23 LEU 28 2HD2 LEU 28 0.610 -1.781 -1.865
183 H ILE 29 H ILE 29 -1.777 2.513 -0.735
184 HA ILE 29 HA ILE 29 0.742 3.378 -1.260
185 HB ILE 29 HB ILE 29 -1.760 5.067 -1.352
186 HG12 ILE 29 1HG1 ILE 29 -0.412 3.643 -3.640
187 HG13 ILE 29 2HG1 ILE 29 -1.643 2.858 -2.656
188 HG21 ILE 29 1HG2 ILE 29 -0.324 6.160 -3.254
189 HG22 ILE 29 2HG2 ILE 29 -0.129 6.663 -1.576
190 HG23 ILE 29 3HG2 ILE 29 1.023 5.541 -2.300
191 HD11 ILE 29 3HD1 ILE 29 -2.139 5.480 -4.018
192 HD12 ILE 29 1HD1 ILE 29 -2.387 3.935 -4.830
193 HD13 ILE 29 2HD1 ILE 29 -3.311 4.327 -3.380
194 H VAL 30 H VAL 30 -1.505 4.942 1.021
195 HA VAL 30 HA VAL 30 0.178 6.983 1.887
196 HB VAL 30 HB VAL 30 -1.946 5.517 3.458
197 HG11 VAL 30 1HG1 VAL 30 -0.895 8.281 4.001
198 HG12 VAL 30 2HG1 VAL 30 -1.940 7.286 5.017
199 HG13 VAL 30 3HG1 VAL 30 -0.247 6.846 4.795
200 HG21 VAL 30 3HG2 VAL 30 -2.918 6.475 1.512
201 HG22 VAL 30 1HG2 VAL 30 -3.299 7.551 2.857
202 HG23 VAL 30 2HG2 VAL 30 -2.018 7.977 1.722
203 H HIS 31 H HIS 31 0.086 3.604 2.758
204 HA HIS 31 HA HIS 31 1.820 3.912 5.041
205 HB2 HIS 31 1HB HIS 31 0.422 2.081 5.310
206 HB3 HIS 31 2HB HIS 31 0.556 1.599 3.621
207 HD1 HIS 31 HD1 HIS 31 2.446 1.439 6.877
208 HD2 HIS 31 HD2 HIS 31 2.556 -0.217 3.069
209 HE1 HIS 31 HE1 HIS 31 4.144 -0.412 6.998
210 H GLN 32 H GLN 32 2.158 2.300 1.875
211 HA GLN 32 HA GLN 32 4.702 1.478 1.858
212 HB2 GLN 32 1HB GLN 32 3.067 2.819 -0.247
213 HB3 GLN 32 2HB GLN 32 4.767 2.514 -0.579
214 HG2 GLN 32 1HG GLN 32 4.389 0.123 -0.048
215 HG3 GLN 32 2HG GLN 32 2.670 0.475 0.121
216 HE21 GLN 32 1HE2 GLN 32 3.893 -1.338 -1.723
217 HE22 GLN 32 2HE2 GLN 32 3.515 -0.779 -3.314
218 H ARG 33 H ARG 33 3.745 4.857 1.305
219 HA ARG 33 HA ARG 33 6.071 6.094 0.752
220 HB2 ARG 33 1HB ARG 33 4.489 7.310 2.967
221 HB3 ARG 33 2HB ARG 33 5.133 8.053 1.509
222 HG2 ARG 33 1HG ARG 33 3.345 6.471 0.361
223 HG3 ARG 33 2HG ARG 33 2.577 6.622 1.943
224 HD2 ARG 33 1HD ARG 33 1.723 8.338 0.490
225 HD3 ARG 33 2HD ARG 33 2.728 9.084 1.731
226 HE ARG 33 HE ARG 33 4.480 8.792 -0.260
227 HH11 ARG 33 1HH1 ARG 33 1.222 10.020 -0.239
228 HH12 ARG 33 2HH1 ARG 33 1.487 11.112 -1.558
229 HH21 ARG 33 1HH2 ARG 33 4.840 10.225 -1.997
230 HH22 ARG 33 2HH2 ARG 33 3.545 11.228 -2.557
231 H THR 34 H THR 34 5.057 5.086 4.002
232 HA THR 34 HA THR 34 7.018 6.085 5.585
233 HB THR 34 HB THR 34 6.784 4.147 7.045
234 HG1 THR 34 HG1 THR 34 5.083 2.838 5.250
235 HG21 THR 34 3HG2 THR 34 4.970 5.709 7.142
236 HG22 THR 34 1HG2 THR 34 4.284 4.086 7.203
237 HG23 THR 34 2HG2 THR 34 4.224 5.012 5.704
238 H HIS 35 H HIS 35 7.290 3.237 3.497
239 HA HIS 35 HA HIS 35 9.945 2.588 4.293
240 HB2 HIS 35 1HB HIS 35 8.425 1.824 1.791
241 HB3 HIS 35 2HB HIS 35 9.933 1.091 2.328
242 HD1 HIS 35 HD1 HIS 35 9.675 0.062 4.930
243 HD2 HIS 35 HD2 HIS 35 6.272 0.402 2.570
244 HE1 HIS 35 HE1 HIS 35 7.990 -1.501 5.951
245 H THR 36 H THR 36 8.710 3.913 1.217
246 HA THR 36 HA THR 36 11.193 4.563 0.125
247 HB THR 36 HB THR 36 9.941 6.171 -1.320
248 HG1 THR 36 HG1 THR 36 7.502 5.804 -0.919
249 HG21 THR 36 3HG2 THR 36 9.457 4.407 -2.595
250 HG22 THR 36 1HG2 THR 36 8.115 3.961 -1.543
251 HG23 THR 36 2HG2 THR 36 9.740 3.372 -1.196
252 H GLY 37 H GLY 37 12.198 6.645 -0.185
253 HA2 GLY 37 1HA GLY 37 12.118 9.050 0.487
254 HA3 GLY 37 2HA GLY 37 11.720 8.464 2.096
255 H GLU 38 H GLU 38 13.418 9.027 3.315
256 HA GLU 38 HA GLU 38 16.123 8.627 2.287
257 HB2 GLU 38 1HB GLU 38 15.716 10.771 3.315
258 HB3 GLU 38 2HB GLU 38 15.088 10.005 4.767
259 HG2 GLU 38 1HG GLU 38 17.435 8.927 4.919
260 HG3 GLU 38 2HG GLU 38 17.909 10.215 3.813
261 H LYS 39 H LYS 39 16.457 6.436 2.399
262 HA LYS 39 HA LYS 39 16.725 5.348 5.106
263 HB2 LYS 39 1HB LYS 39 15.255 4.046 2.816
264 HB3 LYS 39 2HB LYS 39 15.850 3.138 4.199
265 HG2 LYS 39 1HG LYS 39 14.132 5.517 4.686
266 HG3 LYS 39 2HG LYS 39 13.385 4.025 4.112
267 HD2 LYS 39 1HD LYS 39 15.300 3.800 6.363
268 HD3 LYS 39 2HD LYS 39 13.743 4.559 6.705
269 HE2 LYS 39 1HE LYS 39 13.161 2.397 7.089
270 HE3 LYS 39 2HE LYS 39 12.863 2.445 5.352
271 HZ1 LYS 39 3HZ LYS 39 14.120 0.509 5.793
272 HZ2 LYS 39 1HZ LYS 39 15.238 1.348 6.745
273 HZ3 LYS 39 2HZ LYS 39 15.188 1.608 5.075
274 HA PRO 40 HA PRO 40 20.604 3.842 3.709
275 HB2 PRO 40 1HB PRO 40 20.858 1.571 5.174
276 HB3 PRO 40 2HB PRO 40 21.001 3.187 5.875
277 HG2 PRO 40 1HG PRO 40 18.660 1.321 5.878
278 HG3 PRO 40 2HG PRO 40 19.295 2.321 7.197
279 HD2 PRO 40 1HD PRO 40 17.133 3.041 5.735
280 HD3 PRO 40 2HD PRO 40 18.262 4.228 6.418
281 H SER 41 H SER 41 17.765 2.417 2.833
282 HA SER 41 HA SER 41 19.145 0.380 1.209
283 HB2 SER 41 1HB SER 41 17.010 -0.908 1.247
284 HB3 SER 41 2HB SER 41 17.736 -0.729 2.845
285 HG SER 41 HG SER 41 15.918 1.223 2.062
286 H GLY 42 H GLY 42 18.752 0.351 -0.949
287 HA2 GLY 42 1HA GLY 42 17.910 0.977 -2.998
288 HA3 GLY 42 2HA GLY 42 16.485 1.577 -2.162
289 HA PRO 43 HA PRO 43 19.752 5.168 -2.242
290 HB2 PRO 43 1HB PRO 43 21.793 4.849 -4.004
291 HB3 PRO 43 2HB PRO 43 21.889 4.328 -2.318
292 HG2 PRO 43 1HG PRO 43 21.308 2.712 -4.770
293 HG3 PRO 43 2HG PRO 43 22.351 2.317 -3.391
294 HD2 PRO 43 1HD PRO 43 19.846 1.322 -3.656
295 HD3 PRO 43 2HD PRO 43 20.575 1.665 -2.074
296 H SER 44 H SER 44 19.153 3.348 -5.213
297 HA SER 44 HA SER 44 18.495 5.877 -6.572
298 HB2 SER 44 1HB SER 44 19.196 3.223 -7.847
299 HB3 SER 44 2HB SER 44 18.957 4.760 -8.678
300 HG SER 44 HG SER 44 20.988 5.111 -8.336
301 H SER 45 H SER 45 16.365 6.043 -5.908
302 HA SER 45 HA SER 45 14.502 4.353 -7.337
303 HB2 SER 45 1HB SER 45 13.306 3.508 -5.497
304 HB3 SER 45 2HB SER 45 14.993 3.282 -5.037
305 HG SER 45 HG SER 45 14.825 4.843 -3.572
306 H GLY 46 H GLY 46 13.049 5.662 -8.213
307 HA2 GLY 46 1HA GLY 46 12.845 8.357 -7.945
308 HA3 GLY 46 2HA GLY 46 11.480 7.347 -8.400
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -7.078 -31.905 2.320
2 HA2 GLY 1 1HA GLY 1 -6.733 -34.682 1.804
3 HA3 GLY 1 2HA GLY 1 -6.253 -33.729 0.407
4 H SER 2 H SER 2 -4.222 -33.030 0.338
5 HA SER 2 HA SER 2 -2.689 -33.004 2.856
6 HB2 SER 2 1HB SER 2 -1.856 -33.797 0.065
7 HB3 SER 2 2HB SER 2 -0.684 -33.431 1.331
8 HG SER 2 HG SER 2 -2.741 -35.270 1.842
9 H SER 3 H SER 3 -2.589 -31.643 -0.442
10 HA SER 3 HA SER 3 -1.072 -29.365 0.395
11 HB2 SER 3 1HB SER 3 -2.535 -29.953 -2.189
12 HB3 SER 3 2HB SER 3 -1.487 -28.557 -1.933
13 HG SER 3 HG SER 3 -0.521 -31.145 -1.418
14 H GLY 4 H GLY 4 -1.876 -27.107 -0.175
15 HA2 GLY 4 1HA GLY 4 -4.345 -26.145 -0.455
16 HA3 GLY 4 2HA GLY 4 -4.413 -26.725 1.202
17 H SER 5 H SER 5 -4.582 -23.986 0.059
18 HA SER 5 HA SER 5 -2.198 -22.585 0.702
19 HB2 SER 5 1HB SER 5 -3.846 -21.623 -0.817
20 HB3 SER 5 2HB SER 5 -5.050 -21.595 0.471
21 HG SER 5 HG SER 5 -3.162 -20.296 1.531
22 H SER 6 H SER 6 -1.622 -21.447 2.524
23 HA SER 6 HA SER 6 -2.806 -22.373 4.996
24 HB2 SER 6 1HB SER 6 -0.398 -20.662 4.372
25 HB3 SER 6 2HB SER 6 -0.937 -20.978 6.020
26 HG SER 6 HG SER 6 0.642 -22.473 4.620
27 H GLY 7 H GLY 7 -4.498 -21.381 5.861
28 HA2 GLY 7 1HA GLY 7 -5.768 -19.673 6.756
29 HA3 GLY 7 2HA GLY 7 -4.489 -18.551 6.316
30 H THR 8 H THR 8 -7.628 -19.096 5.869
31 HA THR 8 HA THR 8 -7.729 -18.531 3.011
32 HB THR 8 HB THR 8 -10.176 -18.700 3.260
33 HG1 THR 8 HG1 THR 8 -11.013 -19.305 5.309
34 HG21 THR 8 3HG2 THR 8 -9.659 -21.136 4.646
35 HG22 THR 8 1HG2 THR 8 -8.275 -20.777 3.614
36 HG23 THR 8 2HG2 THR 8 -9.892 -20.882 2.916
37 H GLY 9 H GLY 9 -6.970 -16.434 2.817
38 HA2 GLY 9 1HA GLY 9 -8.753 -14.339 2.944
39 HA3 GLY 9 2HA GLY 9 -7.888 -14.295 4.474
40 H GLU 10 H GLU 10 -7.248 -14.539 0.977
41 HA GLU 10 HA GLU 10 -4.676 -13.229 1.346
42 HB2 GLU 10 1HB GLU 10 -6.040 -14.454 -1.049
43 HB3 GLU 10 2HB GLU 10 -4.523 -13.574 -1.170
44 HG2 GLU 10 1HG GLU 10 -3.953 -15.850 -1.064
45 HG3 GLU 10 2HG GLU 10 -3.586 -15.181 0.525
46 H LYS 11 H LYS 11 -4.619 -11.091 1.448
47 HA LYS 11 HA LYS 11 -6.722 -9.415 0.526
48 HB2 LYS 11 1HB LYS 11 -4.028 -8.996 1.734
49 HB3 LYS 11 2HB LYS 11 -4.789 -7.635 0.921
50 HG2 LYS 11 1HG LYS 11 -5.424 -7.387 3.139
51 HG3 LYS 11 2HG LYS 11 -6.828 -8.148 2.386
52 HD2 LYS 11 1HD LYS 11 -6.252 -10.278 3.281
53 HD3 LYS 11 2HD LYS 11 -4.670 -9.697 3.809
54 HE2 LYS 11 1HE LYS 11 -5.817 -9.616 5.788
55 HE3 LYS 11 2HE LYS 11 -6.122 -7.989 5.183
56 HZ1 LYS 11 3HZ LYS 11 -8.152 -9.381 4.106
57 HZ2 LYS 11 1HZ LYS 11 -8.250 -8.512 5.554
58 HZ3 LYS 11 2HZ LYS 11 -7.959 -10.178 5.586
59 HA PRO 12 HA PRO 12 -5.588 -8.848 -3.689
60 HB2 PRO 12 1HB PRO 12 -6.770 -6.445 -4.136
61 HB3 PRO 12 2HB PRO 12 -7.683 -7.950 -3.976
62 HG2 PRO 12 1HG PRO 12 -7.187 -5.810 -1.942
63 HG3 PRO 12 2HG PRO 12 -8.686 -6.687 -2.301
64 HD2 PRO 12 1HD PRO 12 -7.098 -7.316 -0.201
65 HD3 PRO 12 2HD PRO 12 -8.048 -8.533 -1.078
66 H PHE 13 H PHE 13 -4.812 -6.455 -1.265
67 HA PHE 13 HA PHE 13 -2.628 -5.476 -2.985
68 HB2 PHE 13 1HB PHE 13 -4.011 -3.910 -0.800
69 HB3 PHE 13 2HB PHE 13 -2.798 -3.311 -1.927
70 HD1 PHE 13 HD1 PHE 13 -3.385 -3.238 -4.389
71 HD2 PHE 13 HD2 PHE 13 -6.281 -3.833 -1.327
72 HE1 PHE 13 HE1 PHE 13 -5.165 -2.560 -5.946
73 HE2 PHE 13 HE2 PHE 13 -8.066 -3.157 -2.879
74 HZ PHE 13 HZ PHE 13 -7.510 -2.520 -5.192
75 H GLU 14 H GLU 14 -0.628 -5.773 -2.245
76 HA GLU 14 HA GLU 14 -0.201 -6.109 0.636
77 HB2 GLU 14 1HB GLU 14 -0.403 -8.346 -0.562
78 HB3 GLU 14 2HB GLU 14 1.092 -7.931 -1.388
79 HG2 GLU 14 1HG GLU 14 2.348 -8.032 0.569
80 HG3 GLU 14 2HG GLU 14 0.923 -7.909 1.599
81 H CYS 15 H CYS 15 1.555 -5.082 1.384
82 HA CYS 15 HA CYS 15 2.918 -3.186 -0.091
83 HB2 CYS 15 1HB CYS 15 2.796 -3.687 2.509
84 HB3 CYS 15 2HB CYS 15 4.331 -4.490 2.195
85 H SER 16 H SER 16 5.424 -3.171 -0.258
86 HA SER 16 HA SER 16 6.229 -5.654 -1.625
87 HB2 SER 16 1HB SER 16 7.507 -4.360 -3.157
88 HB3 SER 16 2HB SER 16 5.957 -3.531 -3.013
89 HG SER 16 HG SER 16 7.711 -2.076 -2.867
90 H GLU 17 H GLU 17 7.135 -3.208 0.690
91 HA GLU 17 HA GLU 17 9.809 -4.279 1.028
92 HB2 GLU 17 1HB GLU 17 8.284 -2.019 2.300
93 HB3 GLU 17 2HB GLU 17 9.825 -2.562 2.950
94 HG2 GLU 17 1HG GLU 17 9.466 -1.715 0.091
95 HG3 GLU 17 2HG GLU 17 9.907 -0.597 1.381
96 H CYS 18 H CYS 18 7.138 -3.655 3.312
97 HA CYS 18 HA CYS 18 8.144 -5.718 5.082
98 HB2 CYS 18 1HB CYS 18 6.556 -4.925 6.671
99 HB3 CYS 18 2HB CYS 18 7.222 -3.500 5.879
100 H GLN 19 H GLN 19 5.917 -5.477 2.531
101 HA GLN 19 HA GLN 19 4.409 -6.917 1.622
102 HB2 GLN 19 1HB GLN 19 5.946 -8.853 3.353
103 HB3 GLN 19 2HB GLN 19 4.699 -9.353 2.218
104 HG2 GLN 19 1HG GLN 19 7.189 -7.837 1.470
105 HG3 GLN 19 2HG GLN 19 6.992 -9.584 1.338
106 HE21 GLN 19 1HE2 GLN 19 7.640 -8.641 -0.921
107 HE22 GLN 19 2HE2 GLN 19 6.310 -8.391 -1.995
108 H LYS 20 H LYS 20 3.268 -5.403 3.475
109 HA LYS 20 HA LYS 20 1.869 -7.081 5.401
110 HB2 LYS 20 1HB LYS 20 2.680 -4.875 6.114
111 HB3 LYS 20 2HB LYS 20 1.689 -4.107 4.881
112 HG2 LYS 20 1HG LYS 20 -0.293 -4.586 6.000
113 HG3 LYS 20 2HG LYS 20 0.456 -5.847 6.982
114 HD2 LYS 20 1HD LYS 20 1.352 -2.996 7.206
115 HD3 LYS 20 2HD LYS 20 -0.079 -3.561 8.070
116 HE2 LYS 20 1HE LYS 20 1.168 -5.113 9.327
117 HE3 LYS 20 2HE LYS 20 2.564 -4.978 8.259
118 HZ1 LYS 20 3HZ LYS 20 2.255 -3.658 10.597
119 HZ2 LYS 20 1HZ LYS 20 1.793 -2.485 9.468
120 HZ3 LYS 20 2HZ LYS 20 3.318 -3.208 9.361
121 H ALA 21 H ALA 21 -0.475 -7.035 5.559
122 HA ALA 21 HA ALA 21 -1.697 -7.163 2.913
123 HB1 ALA 21 3HB ALA 21 -1.947 -8.689 5.255
124 HB2 ALA 21 1HB ALA 21 -3.494 -7.873 5.031
125 HB3 ALA 21 2HB ALA 21 -2.834 -8.879 3.742
126 H PHE 22 H PHE 22 -3.450 -5.962 2.273
127 HA PHE 22 HA PHE 22 -4.539 -3.982 4.130
128 HB2 PHE 22 1HB PHE 22 -3.121 -3.387 1.550
129 HB3 PHE 22 2HB PHE 22 -4.378 -2.309 2.147
130 HD1 PHE 22 HD1 PHE 22 -4.054 -1.034 4.195
131 HD2 PHE 22 HD2 PHE 22 -0.989 -3.543 2.638
132 HE1 PHE 22 HE1 PHE 22 -2.410 0.078 5.649
133 HE2 PHE 22 HE2 PHE 22 0.660 -2.435 4.090
134 HZ PHE 22 HZ PHE 22 -0.050 -0.623 5.599
135 H ASN 23 H ASN 23 -6.332 -2.684 2.853
136 HA ASN 23 HA ASN 23 -7.959 -4.695 1.445
137 HB2 ASN 23 1HB ASN 23 -9.244 -4.256 3.295
138 HB3 ASN 23 2HB ASN 23 -8.619 -2.619 3.474
139 HD21 ASN 23 1HD2 ASN 23 -10.691 -1.786 3.731
140 HD22 ASN 23 2HD2 ASN 23 -11.782 -1.620 2.401
141 H THR 24 H THR 24 -7.403 -1.183 1.645
142 HA THR 24 HA THR 24 -8.221 -0.972 -1.176
143 HB THR 24 HB THR 24 -8.399 1.523 -0.628
144 HG1 THR 24 HG1 THR 24 -7.382 0.759 1.636
145 HG21 THR 24 3HG2 THR 24 -10.240 -0.552 0.539
146 HG22 THR 24 1HG2 THR 24 -10.408 0.332 -0.977
147 HG23 THR 24 2HG2 THR 24 -10.624 1.169 0.560
148 H LYS 25 H LYS 25 -6.962 0.217 -2.627
149 HA LYS 25 HA LYS 25 -4.192 -0.030 -2.386
150 HB2 LYS 25 1HB LYS 25 -5.636 0.285 -4.496
151 HB3 LYS 25 2HB LYS 25 -5.507 2.008 -4.168
152 HG2 LYS 25 1HG LYS 25 -3.749 1.772 -5.579
153 HG3 LYS 25 2HG LYS 25 -2.929 1.421 -4.056
154 HD2 LYS 25 1HD LYS 25 -2.734 -0.808 -4.517
155 HD3 LYS 25 2HD LYS 25 -4.197 -0.843 -5.503
156 HE2 LYS 25 1HE LYS 25 -1.878 0.732 -6.491
157 HE3 LYS 25 2HE LYS 25 -1.778 -1.026 -6.571
158 HZ1 LYS 25 3HZ LYS 25 -2.944 0.555 -8.425
159 HZ2 LYS 25 1HZ LYS 25 -4.277 0.030 -7.525
160 HZ3 LYS 25 2HZ LYS 25 -3.239 -1.100 -8.237
161 H SER 26 H SER 26 -6.208 2.896 -2.128
162 HA SER 26 HA SER 26 -4.344 4.818 -1.684
163 HB2 SER 26 1HB SER 26 -6.903 5.021 -1.656
164 HB3 SER 26 2HB SER 26 -6.797 4.644 0.063
165 HG SER 26 HG SER 26 -6.761 6.878 -0.234
166 H ASN 27 H ASN 27 -5.806 2.857 0.915
167 HA ASN 27 HA ASN 27 -4.313 3.780 3.037
168 HB2 ASN 27 1HB ASN 27 -5.592 1.134 2.443
169 HB3 ASN 27 2HB ASN 27 -4.618 1.324 3.898
170 HD21 ASN 27 1HD2 ASN 27 -7.042 3.253 2.159
171 HD22 ASN 27 2HD2 ASN 27 -8.005 3.603 3.550
172 H LEU 28 H LEU 28 -3.527 1.090 0.849
173 HA LEU 28 HA LEU 28 -1.109 0.347 2.041
174 HB2 LEU 28 1HB LEU 28 -2.057 -1.134 0.480
175 HB3 LEU 28 2HB LEU 28 -2.159 0.113 -0.761
176 HG LEU 28 HG LEU 28 0.269 0.062 -1.022
177 HD11 LEU 28 1HD1 LEU 28 0.323 -2.290 0.844
178 HD12 LEU 28 2HD1 LEU 28 0.662 -0.646 1.384
179 HD13 LEU 28 3HD1 LEU 28 1.681 -1.399 0.157
180 HD21 LEU 28 3HD2 LEU 28 -1.032 -2.655 -1.181
181 HD22 LEU 28 1HD2 LEU 28 0.453 -2.181 -2.006
182 HD23 LEU 28 2HD2 LEU 28 -1.073 -1.399 -2.419
183 H ILE 29 H ILE 29 -1.724 2.579 -0.659
184 HA ILE 29 HA ILE 29 0.887 3.279 -1.255
185 HB ILE 29 HB ILE 29 -1.549 5.064 -1.327
186 HG12 ILE 29 1HG1 ILE 29 -0.294 3.580 -3.630
187 HG13 ILE 29 2HG1 ILE 29 -1.550 2.853 -2.633
188 HG21 ILE 29 1HG2 ILE 29 0.544 5.573 -3.278
189 HG22 ILE 29 2HG2 ILE 29 -0.314 6.692 -2.220
190 HG23 ILE 29 3HG2 ILE 29 1.089 5.810 -1.618
191 HD11 ILE 29 3HD1 ILE 29 -2.288 5.497 -3.548
192 HD12 ILE 29 1HD1 ILE 29 -1.920 4.404 -4.882
193 HD13 ILE 29 2HD1 ILE 29 -3.148 3.965 -3.694
194 H VAL 30 H VAL 30 -1.329 4.938 0.994
195 HA VAL 30 HA VAL 30 0.480 6.859 1.912
196 HB VAL 30 HB VAL 30 -1.829 5.601 3.401
197 HG11 VAL 30 1HG1 VAL 30 -0.311 6.715 4.933
198 HG12 VAL 30 2HG1 VAL 30 -0.330 8.166 3.929
199 HG13 VAL 30 3HG1 VAL 30 -1.797 7.648 4.761
200 HG21 VAL 30 3HG2 VAL 30 -1.613 7.907 1.497
201 HG22 VAL 30 1HG2 VAL 30 -2.753 6.561 1.490
202 HG23 VAL 30 2HG2 VAL 30 -2.901 7.836 2.700
203 H HIS 31 H HIS 31 0.157 3.496 2.682
204 HA HIS 31 HA HIS 31 1.763 3.675 5.086
205 HB2 HIS 31 1HB HIS 31 0.175 1.980 5.270
206 HB3 HIS 31 2HB HIS 31 0.404 1.448 3.607
207 HD1 HIS 31 HD1 HIS 31 2.149 1.323 6.963
208 HD2 HIS 31 HD2 HIS 31 2.158 -0.625 3.294
209 HE1 HIS 31 HE1 HIS 31 3.649 -0.672 7.265
210 H GLN 32 H GLN 32 2.186 2.950 1.709
211 HA GLN 32 HA GLN 32 4.700 1.652 1.915
212 HB2 GLN 32 1HB GLN 32 3.244 3.019 -0.332
213 HB3 GLN 32 2HB GLN 32 4.875 2.400 -0.549
214 HG2 GLN 32 1HG GLN 32 3.801 0.209 0.450
215 HG3 GLN 32 2HG GLN 32 2.322 0.937 -0.174
216 HE21 GLN 32 1HE2 GLN 32 3.734 -1.475 -1.020
217 HE22 GLN 32 2HE2 GLN 32 4.090 -1.255 -2.697
218 H ARG 33 H ARG 33 3.739 5.016 1.383
219 HA ARG 33 HA ARG 33 6.101 6.217 0.756
220 HB2 ARG 33 1HB ARG 33 4.481 7.526 2.886
221 HB3 ARG 33 2HB ARG 33 5.154 8.206 1.411
222 HG2 ARG 33 1HG ARG 33 3.391 6.632 0.265
223 HG3 ARG 33 2HG ARG 33 2.599 6.751 1.838
224 HD2 ARG 33 1HD ARG 33 1.653 8.532 0.742
225 HD3 ARG 33 2HD ARG 33 3.030 9.314 1.518
226 HE ARG 33 HE ARG 33 3.507 8.343 -1.165
227 HH11 ARG 33 1HH1 ARG 33 2.555 11.024 0.841
228 HH12 ARG 33 2HH1 ARG 33 2.949 12.222 -0.348
229 HH21 ARG 33 1HH2 ARG 33 4.029 9.910 -2.738
230 HH22 ARG 33 2HH2 ARG 33 3.786 11.587 -2.384
231 H THR 34 H THR 34 4.976 5.505 4.059
232 HA THR 34 HA THR 34 6.987 6.505 5.578
233 HB THR 34 HB THR 34 4.985 5.182 6.389
234 HG1 THR 34 HG1 THR 34 6.063 5.390 8.189
235 HG21 THR 34 3HG2 THR 34 6.011 3.141 4.931
236 HG22 THR 34 1HG2 THR 34 4.886 2.929 6.271
237 HG23 THR 34 2HG2 THR 34 6.619 2.737 6.536
238 H HIS 35 H HIS 35 7.145 3.694 3.500
239 HA HIS 35 HA HIS 35 9.666 2.764 4.493
240 HB2 HIS 35 1HB HIS 35 8.147 2.127 1.957
241 HB3 HIS 35 2HB HIS 35 9.631 1.316 2.450
242 HD1 HIS 35 HD1 HIS 35 9.094 0.758 5.376
243 HD2 HIS 35 HD2 HIS 35 6.230 0.269 2.406
244 HE1 HIS 35 HE1 HIS 35 7.430 -0.882 6.309
245 H THR 36 H THR 36 8.674 4.355 1.460
246 HA THR 36 HA THR 36 11.459 5.268 1.140
247 HB THR 36 HB THR 36 10.787 3.779 -0.672
248 HG1 THR 36 HG1 THR 36 11.314 6.483 -1.103
249 HG21 THR 36 3HG2 THR 36 8.297 5.054 -0.410
250 HG22 THR 36 1HG2 THR 36 8.739 3.786 -1.551
251 HG23 THR 36 2HG2 THR 36 8.897 5.481 -2.012
252 H GLY 37 H GLY 37 11.542 7.291 1.930
253 HA2 GLY 37 1HA GLY 37 10.023 9.348 0.595
254 HA3 GLY 37 2HA GLY 37 9.591 9.144 2.287
255 H GLU 38 H GLU 38 11.455 9.215 3.845
256 HA GLU 38 HA GLU 38 13.240 11.404 3.050
257 HB2 GLU 38 1HB GLU 38 12.144 10.477 5.683
258 HB3 GLU 38 2HB GLU 38 13.605 11.453 5.632
259 HG2 GLU 38 1HG GLU 38 12.193 13.055 4.173
260 HG3 GLU 38 2HG GLU 38 10.818 12.186 4.853
261 H LYS 39 H LYS 39 15.031 10.518 2.177
262 HA LYS 39 HA LYS 39 16.285 8.213 3.448
263 HB2 LYS 39 1HB LYS 39 17.824 8.286 1.502
264 HB3 LYS 39 2HB LYS 39 16.133 8.153 1.037
265 HG2 LYS 39 1HG LYS 39 16.061 10.505 0.488
266 HG3 LYS 39 2HG LYS 39 17.722 10.711 1.047
267 HD2 LYS 39 1HD LYS 39 18.474 9.133 -0.693
268 HD3 LYS 39 2HD LYS 39 16.811 9.007 -1.272
269 HE2 LYS 39 1HE LYS 39 16.890 11.534 -1.556
270 HE3 LYS 39 2HE LYS 39 18.632 11.401 -1.320
271 HZ1 LYS 39 3HZ LYS 39 17.056 10.060 -3.451
272 HZ2 LYS 39 1HZ LYS 39 18.722 9.888 -3.214
273 HZ3 LYS 39 2HZ LYS 39 18.082 11.389 -3.660
274 HA PRO 40 HA PRO 40 19.174 10.631 5.736
275 HB2 PRO 40 1HB PRO 40 21.069 8.727 6.132
276 HB3 PRO 40 2HB PRO 40 19.524 8.739 6.992
277 HG2 PRO 40 1HG PRO 40 20.347 7.142 4.597
278 HG3 PRO 40 2HG PRO 40 19.435 6.625 6.028
279 HD2 PRO 40 1HD PRO 40 18.238 7.216 3.672
280 HD3 PRO 40 2HD PRO 40 17.456 7.505 5.240
281 H SER 41 H SER 41 21.158 11.683 5.512
282 HA SER 41 HA SER 41 22.779 11.068 3.155
283 HB2 SER 41 1HB SER 41 20.947 12.935 2.798
284 HB3 SER 41 2HB SER 41 22.109 13.941 3.663
285 HG SER 41 HG SER 41 23.444 13.846 2.012
286 H GLY 42 H GLY 42 24.885 12.138 3.180
287 HA2 GLY 42 1HA GLY 42 26.430 11.767 5.322
288 HA3 GLY 42 2HA GLY 42 26.724 13.110 4.228
289 HA PRO 43 HA PRO 43 25.909 16.036 7.381
290 HB2 PRO 43 1HB PRO 43 24.410 17.927 6.137
291 HB3 PRO 43 2HB PRO 43 26.132 17.697 5.810
292 HG2 PRO 43 1HG PRO 43 23.763 16.727 4.258
293 HG3 PRO 43 2HG PRO 43 25.273 17.441 3.664
294 HD2 PRO 43 1HD PRO 43 24.815 14.773 3.639
295 HD3 PRO 43 2HD PRO 43 26.436 15.461 3.865
296 H SER 44 H SER 44 24.659 15.214 8.987
297 HA SER 44 HA SER 44 21.960 16.038 9.202
298 HB2 SER 44 1HB SER 44 20.915 13.776 9.295
299 HB3 SER 44 2HB SER 44 21.498 14.200 7.686
300 HG SER 44 HG SER 44 23.348 12.912 9.260
301 H SER 45 H SER 45 20.919 15.095 11.212
302 HA SER 45 HA SER 45 21.001 14.900 13.480
303 HB2 SER 45 1HB SER 45 23.280 13.022 12.808
304 HB3 SER 45 2HB SER 45 22.436 13.091 14.355
305 HG SER 45 HG SER 45 21.318 12.416 11.835
306 H GLY 46 H GLY 46 22.301 17.157 12.519
307 HA2 GLY 46 1HA GLY 46 24.842 17.355 13.940
308 HA3 GLY 46 2HA GLY 46 24.135 18.579 12.896
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.005 -24.090 19.150
2 HA2 GLY 1 1HA GLY 1 1.993 -25.948 17.046
3 HA3 GLY 1 2HA GLY 1 0.834 -26.483 18.254
4 H SER 2 H SER 2 1.594 -24.063 15.870
5 HA SER 2 HA SER 2 -0.521 -22.278 16.365
6 HB2 SER 2 1HB SER 2 0.827 -22.912 13.728
7 HB3 SER 2 2HB SER 2 -0.142 -21.480 14.074
8 HG SER 2 HG SER 2 2.242 -22.201 15.438
9 H SER 3 H SER 3 -2.619 -22.687 16.311
10 HA SER 3 HA SER 3 -3.876 -24.965 15.474
11 HB2 SER 3 1HB SER 3 -4.821 -22.137 15.778
12 HB3 SER 3 2HB SER 3 -5.918 -23.351 15.119
13 HG SER 3 HG SER 3 -6.184 -24.079 17.062
14 H GLY 4 H GLY 4 -3.262 -22.044 13.559
15 HA2 GLY 4 1HA GLY 4 -2.667 -22.309 11.218
16 HA3 GLY 4 2HA GLY 4 -3.805 -23.646 11.141
17 H SER 5 H SER 5 -5.997 -22.495 12.424
18 HA SER 5 HA SER 5 -7.300 -21.216 10.345
19 HB2 SER 5 1HB SER 5 -8.390 -22.297 12.328
20 HB3 SER 5 2HB SER 5 -7.955 -20.878 13.280
21 HG SER 5 HG SER 5 -9.131 -19.690 11.536
22 H SER 6 H SER 6 -5.664 -19.797 13.149
23 HA SER 6 HA SER 6 -6.343 -17.119 12.642
24 HB2 SER 6 1HB SER 6 -5.211 -18.243 14.725
25 HB3 SER 6 2HB SER 6 -3.712 -17.847 13.885
26 HG SER 6 HG SER 6 -3.995 -15.820 14.366
27 H GLY 7 H GLY 7 -5.116 -15.414 11.727
28 HA2 GLY 7 1HA GLY 7 -2.951 -14.854 10.594
29 HA3 GLY 7 2HA GLY 7 -3.194 -16.334 9.679
30 H THR 8 H THR 8 -3.303 -13.138 9.365
31 HA THR 8 HA THR 8 -5.510 -13.240 7.414
32 HB THR 8 HB THR 8 -5.838 -10.803 7.802
33 HG1 THR 8 HG1 THR 8 -3.699 -11.250 9.505
34 HG21 THR 8 3HG2 THR 8 -6.868 -12.890 9.200
35 HG22 THR 8 1HG2 THR 8 -7.391 -11.216 9.388
36 HG23 THR 8 2HG2 THR 8 -6.212 -11.903 10.506
37 H GLY 9 H GLY 9 -4.286 -13.629 5.604
38 HA2 GLY 9 1HA GLY 9 -2.696 -11.373 4.664
39 HA3 GLY 9 2HA GLY 9 -1.857 -12.912 4.800
40 H GLU 10 H GLU 10 -5.103 -11.992 3.648
41 HA GLU 10 HA GLU 10 -4.420 -13.199 1.052
42 HB2 GLU 10 1HB GLU 10 -6.797 -13.715 2.803
43 HB3 GLU 10 2HB GLU 10 -6.949 -13.861 1.058
44 HG2 GLU 10 1HG GLU 10 -4.801 -15.359 1.340
45 HG3 GLU 10 2HG GLU 10 -5.427 -15.535 2.979
46 H LYS 11 H LYS 11 -4.314 -10.450 1.723
47 HA LYS 11 HA LYS 11 -6.720 -9.226 0.656
48 HB2 LYS 11 1HB LYS 11 -4.227 -8.263 1.960
49 HB3 LYS 11 2HB LYS 11 -5.041 -7.152 0.866
50 HG2 LYS 11 1HG LYS 11 -5.815 -6.722 3.076
51 HG3 LYS 11 2HG LYS 11 -7.128 -7.490 2.180
52 HD2 LYS 11 1HD LYS 11 -5.288 -9.242 3.720
53 HD3 LYS 11 2HD LYS 11 -6.445 -8.266 4.627
54 HE2 LYS 11 1HE LYS 11 -8.278 -9.215 3.335
55 HE3 LYS 11 2HE LYS 11 -7.134 -10.156 2.378
56 HZ1 LYS 11 3HZ LYS 11 -6.997 -11.701 3.956
57 HZ2 LYS 11 1HZ LYS 11 -8.373 -10.995 4.643
58 HZ3 LYS 11 2HZ LYS 11 -6.835 -10.566 5.200
59 HA PRO 12 HA PRO 12 -5.434 -8.893 -3.528
60 HB2 PRO 12 1HB PRO 12 -6.529 -6.510 -4.229
61 HB3 PRO 12 2HB PRO 12 -7.492 -7.969 -3.963
62 HG2 PRO 12 1HG PRO 12 -6.993 -5.665 -2.117
63 HG3 PRO 12 2HG PRO 12 -8.506 -6.530 -2.443
64 HD2 PRO 12 1HD PRO 12 -7.000 -7.007 -0.244
65 HD3 PRO 12 2HD PRO 12 -7.959 -8.273 -1.037
66 H PHE 13 H PHE 13 -4.715 -6.239 -1.350
67 HA PHE 13 HA PHE 13 -2.473 -5.455 -3.094
68 HB2 PHE 13 1HB PHE 13 -3.731 -3.751 -0.941
69 HB3 PHE 13 2HB PHE 13 -2.595 -3.243 -2.187
70 HD1 PHE 13 HD1 PHE 13 -3.345 -3.206 -4.575
71 HD2 PHE 13 HD2 PHE 13 -6.045 -3.768 -1.333
72 HE1 PHE 13 HE1 PHE 13 -5.224 -2.591 -6.039
73 HE2 PHE 13 HE2 PHE 13 -7.929 -3.155 -2.792
74 HZ PHE 13 HZ PHE 13 -7.520 -2.566 -5.148
75 H GLU 14 H GLU 14 -0.488 -5.850 -2.378
76 HA GLU 14 HA GLU 14 -0.039 -6.084 0.516
77 HB2 GLU 14 1HB GLU 14 -0.222 -8.312 -0.895
78 HB3 GLU 14 2HB GLU 14 1.432 -7.910 -1.333
79 HG2 GLU 14 1HG GLU 14 1.845 -9.189 0.486
80 HG3 GLU 14 2HG GLU 14 1.673 -7.627 1.284
81 H CYS 15 H CYS 15 1.869 -5.269 1.258
82 HA CYS 15 HA CYS 15 3.233 -3.389 -0.355
83 HB2 CYS 15 1HB CYS 15 2.937 -3.498 2.237
84 HB3 CYS 15 2HB CYS 15 4.399 -4.479 2.186
85 H SER 16 H SER 16 5.707 -3.391 -0.463
86 HA SER 16 HA SER 16 6.563 -6.017 -1.479
87 HB2 SER 16 1HB SER 16 8.090 -4.823 -2.947
88 HB3 SER 16 2HB SER 16 6.465 -4.168 -3.143
89 HG SER 16 HG SER 16 7.191 -2.311 -2.510
90 H GLU 17 H GLU 17 7.333 -3.421 0.702
91 HA GLU 17 HA GLU 17 9.993 -4.388 1.274
92 HB2 GLU 17 1HB GLU 17 8.269 -2.187 2.373
93 HB3 GLU 17 2HB GLU 17 9.749 -2.662 3.195
94 HG2 GLU 17 1HG GLU 17 9.753 -1.955 0.287
95 HG3 GLU 17 2HG GLU 17 9.834 -0.711 1.534
96 H CYS 18 H CYS 18 7.159 -3.870 3.381
97 HA CYS 18 HA CYS 18 8.127 -5.960 5.164
98 HB2 CYS 18 1HB CYS 18 6.359 -5.194 6.685
99 HB3 CYS 18 2HB CYS 18 7.363 -3.850 6.150
100 H GLN 19 H GLN 19 5.894 -5.565 2.623
101 HA GLN 19 HA GLN 19 4.427 -6.991 1.627
102 HB2 GLN 19 1HB GLN 19 5.418 -9.075 3.575
103 HB3 GLN 19 2HB GLN 19 4.606 -9.358 2.041
104 HG2 GLN 19 1HG GLN 19 6.673 -7.982 1.121
105 HG3 GLN 19 2HG GLN 19 7.416 -8.604 2.594
106 HE21 GLN 19 1HE2 GLN 19 6.285 -9.334 -0.560
107 HE22 GLN 19 2HE2 GLN 19 6.767 -10.993 -0.592
108 H LYS 20 H LYS 20 3.460 -5.319 3.609
109 HA LYS 20 HA LYS 20 1.788 -6.794 5.429
110 HB2 LYS 20 1HB LYS 20 2.745 -4.503 5.883
111 HB3 LYS 20 2HB LYS 20 1.601 -3.867 4.708
112 HG2 LYS 20 1HG LYS 20 0.408 -3.520 6.604
113 HG3 LYS 20 2HG LYS 20 -0.129 -5.160 6.236
114 HD2 LYS 20 1HD LYS 20 1.761 -5.964 7.720
115 HD3 LYS 20 2HD LYS 20 1.942 -4.287 8.239
116 HE2 LYS 20 1HE LYS 20 0.557 -5.349 9.843
117 HE3 LYS 20 2HE LYS 20 -0.497 -4.333 8.861
118 HZ1 LYS 20 3HZ LYS 20 -1.687 -6.253 8.870
119 HZ2 LYS 20 1HZ LYS 20 -0.326 -7.250 8.998
120 HZ3 LYS 20 2HZ LYS 20 -0.730 -6.557 7.509
121 H ALA 21 H ALA 21 -0.477 -6.925 5.389
122 HA ALA 21 HA ALA 21 -1.597 -6.935 2.696
123 HB1 ALA 21 3HB ALA 21 -1.981 -8.957 3.841
124 HB2 ALA 21 1HB ALA 21 -2.506 -8.122 5.303
125 HB3 ALA 21 2HB ALA 21 -3.524 -8.104 3.863
126 H PHE 22 H PHE 22 -3.064 -5.517 1.980
127 HA PHE 22 HA PHE 22 -4.355 -3.737 3.938
128 HB2 PHE 22 1HB PHE 22 -3.009 -3.031 1.337
129 HB3 PHE 22 2HB PHE 22 -4.218 -1.978 2.067
130 HD1 PHE 22 HD1 PHE 22 -3.797 -1.075 4.377
131 HD2 PHE 22 HD2 PHE 22 -0.790 -3.026 2.082
132 HE1 PHE 22 HE1 PHE 22 -2.062 -0.066 5.799
133 HE2 PHE 22 HE2 PHE 22 0.950 -2.021 3.501
134 HZ PHE 22 HZ PHE 22 0.316 -0.539 5.363
135 H ASN 23 H ASN 23 -6.436 -2.984 3.404
136 HA ASN 23 HA ASN 23 -7.925 -4.815 1.723
137 HB2 ASN 23 1HB ASN 23 -9.159 -2.470 3.129
138 HB3 ASN 23 2HB ASN 23 -9.841 -4.063 2.813
139 HD21 ASN 23 1HD2 ASN 23 -9.947 -5.383 4.471
140 HD22 ASN 23 2HD2 ASN 23 -8.984 -5.299 5.904
141 H THR 24 H THR 24 -7.401 -1.303 1.914
142 HA THR 24 HA THR 24 -8.443 -1.062 -0.827
143 HB THR 24 HB THR 24 -8.683 1.354 -0.354
144 HG1 THR 24 HG1 THR 24 -7.678 2.125 1.331
145 HG21 THR 24 3HG2 THR 24 -10.736 0.512 0.057
146 HG22 THR 24 1HG2 THR 24 -10.338 0.853 1.740
147 HG23 THR 24 2HG2 THR 24 -10.114 -0.772 1.093
148 H LYS 25 H LYS 25 -7.364 0.528 -2.231
149 HA LYS 25 HA LYS 25 -4.544 0.074 -2.281
150 HB2 LYS 25 1HB LYS 25 -5.949 0.254 -4.325
151 HB3 LYS 25 2HB LYS 25 -6.193 1.960 -3.975
152 HG2 LYS 25 1HG LYS 25 -4.481 2.134 -5.449
153 HG3 LYS 25 2HG LYS 25 -3.546 1.959 -3.961
154 HD2 LYS 25 1HD LYS 25 -3.802 -0.616 -4.557
155 HD3 LYS 25 2HD LYS 25 -3.964 0.037 -6.189
156 HE2 LYS 25 1HE LYS 25 -1.741 1.040 -4.490
157 HE3 LYS 25 2HE LYS 25 -1.606 -0.587 -5.152
158 HZ1 LYS 25 3HZ LYS 25 -0.858 0.389 -6.986
159 HZ2 LYS 25 1HZ LYS 25 -1.318 1.932 -6.465
160 HZ3 LYS 25 2HZ LYS 25 -2.434 0.940 -7.260
161 H SER 26 H SER 26 -6.466 3.076 -2.092
162 HA SER 26 HA SER 26 -4.514 4.925 -1.724
163 HB2 SER 26 1HB SER 26 -6.145 6.201 -0.321
164 HB3 SER 26 2HB SER 26 -6.844 5.574 -1.814
165 HG SER 26 HG SER 26 -7.965 4.097 -0.692
166 H ASN 27 H ASN 27 -5.983 2.974 0.866
167 HA ASN 27 HA ASN 27 -4.523 3.978 3.005
168 HB2 ASN 27 1HB ASN 27 -5.881 1.369 2.458
169 HB3 ASN 27 2HB ASN 27 -4.871 1.519 3.893
170 HD21 ASN 27 1HD2 ASN 27 -6.503 1.393 5.363
171 HD22 ASN 27 2HD2 ASN 27 -7.714 2.612 5.549
172 H LEU 28 H LEU 28 -3.750 1.275 0.838
173 HA LEU 28 HA LEU 28 -1.344 0.527 2.095
174 HB2 LEU 28 1HB LEU 28 -2.247 -1.051 0.642
175 HB3 LEU 28 2HB LEU 28 -2.481 0.130 -0.646
176 HG LEU 28 HG LEU 28 -0.006 0.194 -0.944
177 HD11 LEU 28 1HD1 LEU 28 0.301 -2.363 0.491
178 HD12 LEU 28 2HD1 LEU 28 0.162 -0.919 1.493
179 HD13 LEU 28 3HD1 LEU 28 1.438 -1.030 0.281
180 HD21 LEU 28 3HD2 LEU 28 0.015 -1.632 -2.353
181 HD22 LEU 28 1HD2 LEU 28 -1.715 -1.359 -2.145
182 HD23 LEU 28 2HD2 LEU 28 -0.910 -2.639 -1.237
183 H ILE 29 H ILE 29 -1.942 2.596 -0.739
184 HA ILE 29 HA ILE 29 0.658 3.243 -1.392
185 HB ILE 29 HB ILE 29 -1.729 5.090 -1.495
186 HG12 ILE 29 1HG1 ILE 29 -0.607 3.372 -3.709
187 HG13 ILE 29 2HG1 ILE 29 -1.916 2.837 -2.662
188 HG21 ILE 29 1HG2 ILE 29 -0.189 5.817 -3.576
189 HG22 ILE 29 2HG2 ILE 29 -0.107 6.578 -1.988
190 HG23 ILE 29 3HG2 ILE 29 1.057 5.328 -2.428
191 HD11 ILE 29 3HD1 ILE 29 -2.356 5.462 -3.862
192 HD12 ILE 29 1HD1 ILE 29 -2.223 4.144 -5.026
193 HD13 ILE 29 2HD1 ILE 29 -3.430 4.068 -3.742
194 H VAL 30 H VAL 30 -1.463 4.856 0.958
195 HA VAL 30 HA VAL 30 0.304 6.893 1.713
196 HB VAL 30 HB VAL 30 -1.865 5.539 3.319
197 HG11 VAL 30 1HG1 VAL 30 -0.716 6.546 5.015
198 HG12 VAL 30 2HG1 VAL 30 -0.029 7.786 3.963
199 HG13 VAL 30 3HG1 VAL 30 -1.709 7.905 4.488
200 HG21 VAL 30 3HG2 VAL 30 -1.872 8.170 1.843
201 HG22 VAL 30 1HG2 VAL 30 -2.587 6.673 1.245
202 HG23 VAL 30 2HG2 VAL 30 -3.228 7.436 2.700
203 H HIS 31 H HIS 31 0.189 3.529 2.558
204 HA HIS 31 HA HIS 31 1.882 3.773 4.872
205 HB2 HIS 31 1HB HIS 31 0.545 1.899 5.055
206 HB3 HIS 31 2HB HIS 31 0.666 1.514 3.341
207 HD1 HIS 31 HD1 HIS 31 2.594 1.197 6.563
208 HD2 HIS 31 HD2 HIS 31 2.680 -0.245 2.668
209 HE1 HIS 31 HE1 HIS 31 4.315 -0.637 6.563
210 H GLN 32 H GLN 32 2.334 2.235 1.681
211 HA GLN 32 HA GLN 32 4.888 1.486 1.681
212 HB2 GLN 32 1HB GLN 32 3.479 3.072 -0.462
213 HB3 GLN 32 2HB GLN 32 5.064 2.350 -0.701
214 HG2 GLN 32 1HG GLN 32 4.229 0.177 -0.557
215 HG3 GLN 32 2HG GLN 32 2.723 0.710 0.188
216 HE21 GLN 32 1HE2 GLN 32 3.200 -0.927 -2.198
217 HE22 GLN 32 2HE2 GLN 32 2.381 -0.125 -3.490
218 H ARG 33 H ARG 33 3.865 4.866 1.324
219 HA ARG 33 HA ARG 33 6.298 6.082 0.917
220 HB2 ARG 33 1HB ARG 33 4.427 7.391 2.828
221 HB3 ARG 33 2HB ARG 33 5.260 8.064 1.434
222 HG2 ARG 33 1HG ARG 33 3.695 6.674 0.005
223 HG3 ARG 33 2HG ARG 33 2.768 6.394 1.480
224 HD2 ARG 33 1HD ARG 33 3.488 9.154 0.535
225 HD3 ARG 33 2HD ARG 33 2.033 8.325 -0.013
226 HE ARG 33 HE ARG 33 1.106 8.588 2.093
227 HH11 ARG 33 1HH1 ARG 33 4.427 9.633 2.069
228 HH12 ARG 33 2HH1 ARG 33 4.325 10.425 3.607
229 HH21 ARG 33 1HH2 ARG 33 0.959 9.628 4.119
230 HH22 ARG 33 2HH2 ARG 33 2.353 10.420 4.772
231 H THR 34 H THR 34 4.804 5.232 4.026
232 HA THR 34 HA THR 34 6.530 6.285 5.831
233 HB THR 34 HB THR 34 4.512 4.638 6.157
234 HG1 THR 34 HG1 THR 34 5.439 4.195 8.322
235 HG21 THR 34 3HG2 THR 34 5.661 2.696 5.162
236 HG22 THR 34 1HG2 THR 34 5.189 2.401 6.835
237 HG23 THR 34 2HG2 THR 34 6.869 2.770 6.445
238 H HIS 35 H HIS 35 7.073 3.394 3.874
239 HA HIS 35 HA HIS 35 9.471 2.567 5.088
240 HB2 HIS 35 1HB HIS 35 8.286 2.125 2.358
241 HB3 HIS 35 2HB HIS 35 9.868 1.479 2.781
242 HD1 HIS 35 HD1 HIS 35 9.828 -0.133 4.996
243 HD2 HIS 35 HD2 HIS 35 6.218 0.512 3.044
244 HE1 HIS 35 HE1 HIS 35 8.307 -1.980 5.768
245 H THR 36 H THR 36 8.838 4.747 2.374
246 HA THR 36 HA THR 36 11.666 5.265 1.994
247 HB THR 36 HB THR 36 10.866 6.895 0.259
248 HG1 THR 36 HG1 THR 36 8.460 6.241 -0.205
249 HG21 THR 36 3HG2 THR 36 9.594 4.209 -0.178
250 HG22 THR 36 1HG2 THR 36 11.345 4.395 -0.101
251 HG23 THR 36 2HG2 THR 36 10.423 5.242 -1.343
252 H GLY 37 H GLY 37 12.780 6.887 2.883
253 HA2 GLY 37 1HA GLY 37 12.149 9.467 3.322
254 HA3 GLY 37 2HA GLY 37 11.427 8.677 4.716
255 H GLU 38 H GLU 38 13.054 7.002 5.738
256 HA GLU 38 HA GLU 38 15.119 8.476 6.895
257 HB2 GLU 38 1HB GLU 38 14.434 5.567 6.801
258 HB3 GLU 38 2HB GLU 38 15.983 6.057 7.473
259 HG2 GLU 38 1HG GLU 38 14.742 7.573 9.020
260 HG3 GLU 38 2HG GLU 38 13.247 6.849 8.431
261 H LYS 39 H LYS 39 16.664 9.364 5.650
262 HA LYS 39 HA LYS 39 18.382 7.527 4.138
263 HB2 LYS 39 1HB LYS 39 16.998 9.971 3.131
264 HB3 LYS 39 2HB LYS 39 18.618 9.630 2.538
265 HG2 LYS 39 1HG LYS 39 17.788 7.341 1.908
266 HG3 LYS 39 2HG LYS 39 16.161 7.920 2.274
267 HD2 LYS 39 1HD LYS 39 18.006 9.287 0.324
268 HD3 LYS 39 2HD LYS 39 16.841 8.048 -0.149
269 HE2 LYS 39 1HE LYS 39 15.164 9.598 1.157
270 HE3 LYS 39 2HE LYS 39 16.380 10.829 0.822
271 HZ1 LYS 39 3HZ LYS 39 14.540 9.513 -0.980
272 HZ2 LYS 39 1HZ LYS 39 16.116 9.669 -1.575
273 HZ3 LYS 39 2HZ LYS 39 15.256 11.042 -1.089
274 HA PRO 40 HA PRO 40 21.769 9.575 6.031
275 HB2 PRO 40 1HB PRO 40 23.618 9.608 4.043
276 HB3 PRO 40 2HB PRO 40 23.153 8.133 4.898
277 HG2 PRO 40 1HG PRO 40 22.242 9.145 2.232
278 HG3 PRO 40 2HG PRO 40 22.691 7.497 2.709
279 HD2 PRO 40 1HD PRO 40 20.114 8.304 2.503
280 HD3 PRO 40 2HD PRO 40 20.642 7.087 3.683
281 H SER 41 H SER 41 20.712 10.848 2.923
282 HA SER 41 HA SER 41 21.982 13.421 3.468
283 HB2 SER 41 1HB SER 41 21.452 14.003 1.196
284 HB3 SER 41 2HB SER 41 22.100 12.363 1.185
285 HG SER 41 HG SER 41 19.372 13.132 1.039
286 H GLY 42 H GLY 42 20.466 15.329 2.602
287 HA2 GLY 42 1HA GLY 42 18.363 15.516 4.526
288 HA3 GLY 42 2HA GLY 42 18.769 16.718 3.310
289 HA PRO 43 HA PRO 43 15.007 15.719 1.273
290 HB2 PRO 43 1HB PRO 43 15.590 16.659 -1.206
291 HB3 PRO 43 2HB PRO 43 15.247 17.718 0.167
292 HG2 PRO 43 1HG PRO 43 17.888 16.912 -0.989
293 HG3 PRO 43 2HG PRO 43 17.348 18.509 -0.439
294 HD2 PRO 43 1HD PRO 43 18.925 16.905 1.069
295 HD3 PRO 43 2HD PRO 43 17.735 18.015 1.779
296 H SER 44 H SER 44 17.907 15.035 -0.696
297 HA SER 44 HA SER 44 17.404 12.274 -0.913
298 HB2 SER 44 1HB SER 44 15.520 12.861 -2.302
299 HB3 SER 44 2HB SER 44 16.512 13.956 -3.265
300 HG SER 44 HG SER 44 16.246 11.229 -3.417
301 H SER 45 H SER 45 18.989 11.176 -2.157
302 HA SER 45 HA SER 45 21.390 12.782 -2.577
303 HB2 SER 45 1HB SER 45 20.902 9.817 -2.313
304 HB3 SER 45 2HB SER 45 22.458 10.466 -2.830
305 HG SER 45 HG SER 45 21.490 11.703 -0.601
306 H GLY 46 H GLY 46 22.834 11.985 -4.443
307 HA2 GLY 46 1HA GLY 46 23.157 11.571 -6.694
308 HA3 GLY 46 2HA GLY 46 21.505 10.978 -6.780
Start of MODEL 7
1 H1 GLY 1 H GLY 1 12.563 -14.479 2.234
2 HA2 GLY 1 1HA GLY 1 10.527 -13.572 2.878
3 HA3 GLY 1 2HA GLY 1 10.026 -15.245 2.684
4 H SER 2 H SER 2 11.420 -16.354 4.873
5 HA SER 2 HA SER 2 10.786 -16.933 7.009
6 HB2 SER 2 1HB SER 2 11.677 -14.059 7.193
7 HB3 SER 2 2HB SER 2 11.284 -15.006 8.628
8 HG SER 2 HG SER 2 12.859 -16.564 7.792
9 H SER 3 H SER 3 8.515 -16.409 5.504
10 HA SER 3 HA SER 3 6.800 -14.787 7.244
11 HB2 SER 3 1HB SER 3 6.525 -14.178 4.962
12 HB3 SER 3 2HB SER 3 6.441 -15.862 4.446
13 HG SER 3 HG SER 3 4.456 -16.006 5.621
14 H GLY 4 H GLY 4 6.342 -16.086 8.971
15 HA2 GLY 4 1HA GLY 4 4.795 -18.519 8.352
16 HA3 GLY 4 2HA GLY 4 6.045 -18.547 9.587
17 H SER 5 H SER 5 2.984 -17.013 8.690
18 HA SER 5 HA SER 5 2.150 -17.092 11.468
19 HB2 SER 5 1HB SER 5 2.551 -14.526 9.944
20 HB3 SER 5 2HB SER 5 1.385 -14.635 11.263
21 HG SER 5 HG SER 5 3.041 -15.127 12.665
22 H SER 6 H SER 6 -0.062 -17.151 11.729
23 HA SER 6 HA SER 6 -1.632 -18.229 9.753
24 HB2 SER 6 1HB SER 6 -2.231 -18.234 12.148
25 HB3 SER 6 2HB SER 6 -2.592 -16.510 12.055
26 HG SER 6 HG SER 6 -4.225 -17.021 10.531
27 H GLY 7 H GLY 7 -3.232 -17.449 8.354
28 HA2 GLY 7 1HA GLY 7 -3.114 -14.544 7.824
29 HA3 GLY 7 2HA GLY 7 -3.068 -15.728 6.526
30 H THR 8 H THR 8 -5.063 -14.231 8.981
31 HA THR 8 HA THR 8 -7.451 -15.641 8.227
32 HB THR 8 HB THR 8 -7.108 -13.162 9.925
33 HG1 THR 8 HG1 THR 8 -6.302 -15.464 10.524
34 HG21 THR 8 3HG2 THR 8 -9.499 -14.993 9.752
35 HG22 THR 8 1HG2 THR 8 -9.380 -13.455 8.899
36 HG23 THR 8 2HG2 THR 8 -9.361 -13.489 10.662
37 H GLY 9 H GLY 9 -7.974 -15.297 6.109
38 HA2 GLY 9 1HA GLY 9 -8.779 -14.200 4.260
39 HA3 GLY 9 2HA GLY 9 -9.424 -13.027 5.399
40 H GLU 10 H GLU 10 -6.870 -13.765 3.175
41 HA GLU 10 HA GLU 10 -5.218 -11.527 3.806
42 HB2 GLU 10 1HB GLU 10 -4.723 -13.753 2.456
43 HB3 GLU 10 2HB GLU 10 -5.196 -12.757 1.087
44 HG2 GLU 10 1HG GLU 10 -3.407 -11.310 1.352
45 HG3 GLU 10 2HG GLU 10 -3.147 -11.782 3.031
46 H LYS 11 H LYS 11 -4.700 -9.872 2.050
47 HA LYS 11 HA LYS 11 -7.236 -8.825 0.976
48 HB2 LYS 11 1HB LYS 11 -4.907 -7.525 2.292
49 HB3 LYS 11 2HB LYS 11 -5.704 -6.633 1.003
50 HG2 LYS 11 1HG LYS 11 -6.745 -5.911 2.963
51 HG3 LYS 11 2HG LYS 11 -7.874 -7.073 2.261
52 HD2 LYS 11 1HD LYS 11 -7.865 -7.820 4.417
53 HD3 LYS 11 2HD LYS 11 -6.508 -8.757 3.787
54 HE2 LYS 11 1HE LYS 11 -4.987 -6.948 4.590
55 HE3 LYS 11 2HE LYS 11 -6.380 -6.185 5.355
56 HZ1 LYS 11 3HZ LYS 11 -6.009 -7.471 7.102
57 HZ2 LYS 11 1HZ LYS 11 -4.785 -8.319 6.299
58 HZ3 LYS 11 2HZ LYS 11 -6.392 -8.829 6.169
59 HA PRO 12 HA PRO 12 -5.675 -8.871 -3.124
60 HB2 PRO 12 1HB PRO 12 -6.633 -6.543 -4.141
61 HB3 PRO 12 2HB PRO 12 -7.664 -7.936 -3.792
62 HG2 PRO 12 1HG PRO 12 -7.200 -5.466 -2.165
63 HG3 PRO 12 2HG PRO 12 -8.721 -6.315 -2.502
64 HD2 PRO 12 1HD PRO 12 -7.379 -6.601 -0.167
65 HD3 PRO 12 2HD PRO 12 -8.332 -7.914 -0.889
66 H PHE 13 H PHE 13 -5.169 -5.805 -1.413
67 HA PHE 13 HA PHE 13 -2.797 -5.278 -3.044
68 HB2 PHE 13 1HB PHE 13 -4.026 -3.483 -0.948
69 HB3 PHE 13 2HB PHE 13 -2.863 -3.036 -2.191
70 HD1 PHE 13 HD1 PHE 13 -3.556 -2.766 -4.505
71 HD2 PHE 13 HD2 PHE 13 -6.360 -3.734 -1.453
72 HE1 PHE 13 HE1 PHE 13 -5.401 -2.146 -6.009
73 HE2 PHE 13 HE2 PHE 13 -8.210 -3.117 -2.953
74 HZ PHE 13 HZ PHE 13 -7.733 -2.322 -5.234
75 H GLU 14 H GLU 14 -0.766 -5.397 -2.272
76 HA GLU 14 HA GLU 14 -0.350 -5.681 0.612
77 HB2 GLU 14 1HB GLU 14 -0.518 -7.942 -0.656
78 HB3 GLU 14 2HB GLU 14 1.072 -7.528 -1.280
79 HG2 GLU 14 1HG GLU 14 2.014 -7.510 0.901
80 HG3 GLU 14 2HG GLU 14 0.424 -7.633 1.652
81 H CYS 15 H CYS 15 1.676 -5.030 1.346
82 HA CYS 15 HA CYS 15 2.949 -3.008 -0.150
83 HB2 CYS 15 1HB CYS 15 2.859 -3.501 2.449
84 HB3 CYS 15 2HB CYS 15 4.369 -4.343 2.115
85 H SER 16 H SER 16 5.523 -3.105 -0.194
86 HA SER 16 HA SER 16 6.230 -5.569 -1.649
87 HB2 SER 16 1HB SER 16 6.067 -3.614 -3.135
88 HB3 SER 16 2HB SER 16 7.239 -2.755 -2.137
89 HG SER 16 HG SER 16 8.478 -4.905 -2.666
90 H GLU 17 H GLU 17 7.150 -3.253 0.766
91 HA GLU 17 HA GLU 17 9.802 -4.418 1.080
92 HB2 GLU 17 1HB GLU 17 8.394 -2.039 2.238
93 HB3 GLU 17 2HB GLU 17 9.817 -2.688 3.041
94 HG2 GLU 17 1HG GLU 17 9.903 -2.048 0.126
95 HG3 GLU 17 2HG GLU 17 10.069 -0.767 1.326
96 H CYS 18 H CYS 18 7.103 -3.681 3.298
97 HA CYS 18 HA CYS 18 8.006 -5.772 5.103
98 HB2 CYS 18 1HB CYS 18 6.521 -4.863 6.697
99 HB3 CYS 18 2HB CYS 18 7.172 -3.470 5.839
100 H GLN 19 H GLN 19 6.014 -5.575 2.441
101 HA GLN 19 HA GLN 19 4.407 -6.909 1.536
102 HB2 GLN 19 1HB GLN 19 5.695 -8.885 3.423
103 HB3 GLN 19 2HB GLN 19 4.518 -9.328 2.194
104 HG2 GLN 19 1HG GLN 19 7.082 -7.912 1.541
105 HG3 GLN 19 2HG GLN 19 6.951 -9.668 1.613
106 HE21 GLN 19 1HE2 GLN 19 7.065 -7.233 -0.467
107 HE22 GLN 19 2HE2 GLN 19 6.082 -7.848 -1.748
108 H LYS 20 H LYS 20 3.444 -5.245 3.504
109 HA LYS 20 HA LYS 20 1.801 -6.760 5.337
110 HB2 LYS 20 1HB LYS 20 2.557 -4.710 6.217
111 HB3 LYS 20 2HB LYS 20 2.143 -3.829 4.752
112 HG2 LYS 20 1HG LYS 20 -0.139 -3.834 5.254
113 HG3 LYS 20 2HG LYS 20 0.037 -5.120 6.451
114 HD2 LYS 20 1HD LYS 20 1.451 -2.513 6.842
115 HD3 LYS 20 2HD LYS 20 -0.266 -2.650 7.229
116 HE2 LYS 20 1HE LYS 20 0.616 -3.225 9.250
117 HE3 LYS 20 2HE LYS 20 0.568 -4.818 8.496
118 HZ1 LYS 20 3HZ LYS 20 2.986 -3.465 7.871
119 HZ2 LYS 20 1HZ LYS 20 2.763 -4.968 8.616
120 HZ3 LYS 20 2HZ LYS 20 2.773 -3.556 9.547
121 H ALA 21 H ALA 21 -0.493 -6.747 5.357
122 HA ALA 21 HA ALA 21 -1.641 -6.754 2.682
123 HB1 ALA 21 3HB ALA 21 -3.500 -7.935 3.658
124 HB2 ALA 21 1HB ALA 21 -1.993 -8.669 4.209
125 HB3 ALA 21 2HB ALA 21 -2.902 -7.606 5.284
126 H PHE 22 H PHE 22 -3.302 -5.464 1.997
127 HA PHE 22 HA PHE 22 -4.397 -3.490 3.862
128 HB2 PHE 22 1HB PHE 22 -2.995 -2.865 1.264
129 HB3 PHE 22 2HB PHE 22 -4.100 -1.736 2.041
130 HD1 PHE 22 HD1 PHE 22 -3.521 -0.706 4.181
131 HD2 PHE 22 HD2 PHE 22 -0.807 -3.268 2.136
132 HE1 PHE 22 HE1 PHE 22 -1.681 0.130 5.584
133 HE2 PHE 22 HE2 PHE 22 1.038 -2.438 3.536
134 HZ PHE 22 HZ PHE 22 0.602 -0.737 5.264
135 H ASN 23 H ASN 23 -6.524 -3.201 3.617
136 HA ASN 23 HA ASN 23 -8.060 -4.808 1.932
137 HB2 ASN 23 1HB ASN 23 -8.896 -3.760 4.017
138 HB3 ASN 23 2HB ASN 23 -8.877 -2.192 3.216
139 HD21 ASN 23 1HD2 ASN 23 -10.655 -1.565 2.215
140 HD22 ASN 23 2HD2 ASN 23 -11.987 -2.582 1.794
141 H THR 24 H THR 24 -7.317 -1.337 1.651
142 HA THR 24 HA THR 24 -8.030 -1.513 -1.204
143 HB THR 24 HB THR 24 -8.601 0.874 -1.132
144 HG1 THR 24 HG1 THR 24 -7.918 1.995 0.517
145 HG21 THR 24 3HG2 THR 24 -10.618 -0.068 -0.837
146 HG22 THR 24 1HG2 THR 24 -10.456 0.442 0.843
147 HG23 THR 24 2HG2 THR 24 -10.012 -1.199 0.373
148 H LYS 25 H LYS 25 -6.782 -0.263 -2.679
149 HA LYS 25 HA LYS 25 -4.022 -0.378 -2.285
150 HB2 LYS 25 1HB LYS 25 -5.409 -0.189 -4.473
151 HB3 LYS 25 2HB LYS 25 -5.274 1.546 -4.222
152 HG2 LYS 25 1HG LYS 25 -2.988 1.552 -4.562
153 HG3 LYS 25 2HG LYS 25 -2.827 -0.167 -4.195
154 HD2 LYS 25 1HD LYS 25 -4.014 -0.704 -6.282
155 HD3 LYS 25 2HD LYS 25 -4.124 1.019 -6.651
156 HE2 LYS 25 1HE LYS 25 -1.648 1.133 -6.614
157 HE3 LYS 25 2HE LYS 25 -1.601 -0.613 -6.370
158 HZ1 LYS 25 3HZ LYS 25 -2.317 -1.020 -8.494
159 HZ2 LYS 25 1HZ LYS 25 -1.398 0.378 -8.745
160 HZ3 LYS 25 2HZ LYS 25 -3.084 0.478 -8.660
161 H SER 26 H SER 26 -6.144 2.486 -2.311
162 HA SER 26 HA SER 26 -4.372 4.485 -1.835
163 HB2 SER 26 1HB SER 26 -6.148 5.735 -0.812
164 HB3 SER 26 2HB SER 26 -6.875 4.706 -2.046
165 HG SER 26 HG SER 26 -7.946 3.695 -0.548
166 H ASN 27 H ASN 27 -5.656 2.219 0.556
167 HA ASN 27 HA ASN 27 -4.482 3.409 2.826
168 HB2 ASN 27 1HB ASN 27 -6.284 1.480 2.554
169 HB3 ASN 27 2HB ASN 27 -4.864 0.450 2.712
170 HD21 ASN 27 1HD2 ASN 27 -7.196 0.932 4.481
171 HD22 ASN 27 2HD2 ASN 27 -6.518 1.362 6.011
172 H LEU 28 H LEU 28 -3.384 0.765 0.722
173 HA LEU 28 HA LEU 28 -0.983 0.251 2.112
174 HB2 LEU 28 1HB LEU 28 -1.743 -1.431 0.667
175 HB3 LEU 28 2HB LEU 28 -1.922 -0.310 -0.681
176 HG LEU 28 HG LEU 28 0.532 -0.154 -0.846
177 HD11 LEU 28 1HD1 LEU 28 0.766 -2.480 1.012
178 HD12 LEU 28 2HD1 LEU 28 0.768 -0.837 1.649
179 HD13 LEU 28 3HD1 LEU 28 1.998 -1.332 0.487
180 HD21 LEU 28 3HD2 LEU 28 0.888 -2.548 -1.590
181 HD22 LEU 28 1HD2 LEU 28 -0.483 -1.703 -2.309
182 HD23 LEU 28 2HD2 LEU 28 -0.748 -2.871 -1.014
183 H ILE 29 H ILE 29 -1.807 2.457 -0.501
184 HA ILE 29 HA ILE 29 0.786 3.215 -1.250
185 HB ILE 29 HB ILE 29 -1.738 4.874 -1.304
186 HG12 ILE 29 1HG1 ILE 29 -0.454 3.287 -3.533
187 HG13 ILE 29 2HG1 ILE 29 -1.779 2.680 -2.546
188 HG21 ILE 29 1HG2 ILE 29 0.602 5.994 -1.511
189 HG22 ILE 29 2HG2 ILE 29 0.595 5.281 -3.123
190 HG23 ILE 29 3HG2 ILE 29 -0.673 6.413 -2.654
191 HD11 ILE 29 3HD1 ILE 29 -2.208 3.815 -4.869
192 HD12 ILE 29 1HD1 ILE 29 -3.311 4.060 -3.515
193 HD13 ILE 29 2HD1 ILE 29 -2.115 5.294 -3.913
194 H VAL 30 H VAL 30 -1.445 4.696 1.095
195 HA VAL 30 HA VAL 30 0.203 6.802 1.901
196 HB VAL 30 HB VAL 30 -1.810 5.314 3.594
197 HG11 VAL 30 1HG1 VAL 30 -1.062 8.198 3.891
198 HG12 VAL 30 2HG1 VAL 30 -1.817 7.113 5.060
199 HG13 VAL 30 3HG1 VAL 30 -0.107 6.936 4.668
200 HG21 VAL 30 3HG2 VAL 30 -3.455 6.284 2.445
201 HG22 VAL 30 1HG2 VAL 30 -2.656 7.855 2.494
202 HG23 VAL 30 2HG2 VAL 30 -2.248 6.698 1.228
203 H HIS 31 H HIS 31 0.172 3.431 2.826
204 HA HIS 31 HA HIS 31 1.908 3.769 5.087
205 HB2 HIS 31 1HB HIS 31 0.522 1.883 5.242
206 HB3 HIS 31 2HB HIS 31 0.848 1.392 3.583
207 HD1 HIS 31 HD1 HIS 31 2.258 1.225 7.040
208 HD2 HIS 31 HD2 HIS 31 3.174 -0.121 3.218
209 HE1 HIS 31 HE1 HIS 31 4.097 -0.463 7.345
210 H GLN 32 H GLN 32 2.333 2.294 1.867
211 HA GLN 32 HA GLN 32 4.895 1.547 1.828
212 HB2 GLN 32 1HB GLN 32 3.308 3.039 -0.231
213 HB3 GLN 32 2HB GLN 32 4.992 2.640 -0.544
214 HG2 GLN 32 1HG GLN 32 4.399 0.247 -0.031
215 HG3 GLN 32 2HG GLN 32 2.711 0.752 -0.050
216 HE21 GLN 32 1HE2 GLN 32 3.379 -1.145 -1.771
217 HE22 GLN 32 2HE2 GLN 32 3.466 -0.538 -3.386
218 H ARG 33 H ARG 33 3.877 4.931 1.392
219 HA ARG 33 HA ARG 33 6.218 6.214 0.987
220 HB2 ARG 33 1HB ARG 33 4.485 7.359 3.124
221 HB3 ARG 33 2HB ARG 33 5.203 8.142 1.723
222 HG2 ARG 33 1HG ARG 33 3.514 6.555 0.438
223 HG3 ARG 33 2HG ARG 33 2.649 6.662 1.973
224 HD2 ARG 33 1HD ARG 33 2.657 9.089 1.830
225 HD3 ARG 33 2HD ARG 33 3.583 9.014 0.332
226 HE ARG 33 HE ARG 33 1.050 7.616 0.292
227 HH11 ARG 33 1HH1 ARG 33 2.756 10.580 -0.359
228 HH12 ARG 33 2HH1 ARG 33 1.577 11.164 -1.487
229 HH21 ARG 33 1HH2 ARG 33 -0.509 8.373 -1.190
230 HH22 ARG 33 2HH2 ARG 33 -0.280 9.908 -1.958
231 H THR 34 H THR 34 5.019 5.137 4.152
232 HA THR 34 HA THR 34 6.869 6.127 5.867
233 HB THR 34 HB THR 34 6.566 4.165 7.280
234 HG1 THR 34 HG1 THR 34 6.660 2.689 5.356
235 HG21 THR 34 3HG2 THR 34 4.083 4.103 7.331
236 HG22 THR 34 1HG2 THR 34 4.062 4.976 5.800
237 HG23 THR 34 2HG2 THR 34 4.734 5.739 7.241
238 H HIS 35 H HIS 35 7.306 3.368 3.702
239 HA HIS 35 HA HIS 35 9.921 2.726 4.666
240 HB2 HIS 35 1HB HIS 35 8.530 1.946 2.095
241 HB3 HIS 35 2HB HIS 35 10.035 1.246 2.685
242 HD1 HIS 35 HD1 HIS 35 9.518 0.495 5.480
243 HD2 HIS 35 HD2 HIS 35 6.570 0.163 2.571
244 HE1 HIS 35 HE1 HIS 35 7.880 -1.193 6.371
245 H THR 36 H THR 36 8.683 4.399 1.787
246 HA THR 36 HA THR 36 11.331 5.060 0.864
247 HB THR 36 HB THR 36 10.192 6.342 -0.896
248 HG1 THR 36 HG1 THR 36 8.370 7.152 -0.010
249 HG21 THR 36 3HG2 THR 36 8.666 4.355 -1.687
250 HG22 THR 36 1HG2 THR 36 9.385 3.529 -0.305
251 HG23 THR 36 2HG2 THR 36 10.415 4.157 -1.591
252 H GLY 37 H GLY 37 12.403 6.398 2.238
253 HA2 GLY 37 1HA GLY 37 11.419 9.130 2.419
254 HA3 GLY 37 2HA GLY 37 11.630 8.295 3.951
255 H GLU 38 H GLU 38 13.180 9.923 1.353
256 HA GLU 38 HA GLU 38 15.733 9.716 2.791
257 HB2 GLU 38 1HB GLU 38 16.976 9.444 0.763
258 HB3 GLU 38 2HB GLU 38 15.724 8.210 0.790
259 HG2 GLU 38 1HG GLU 38 14.355 9.599 -0.709
260 HG3 GLU 38 2HG GLU 38 15.661 10.781 -0.774
261 H LYS 39 H LYS 39 16.976 11.558 2.820
262 HA LYS 39 HA LYS 39 15.640 13.983 1.846
263 HB2 LYS 39 1HB LYS 39 17.760 13.587 3.963
264 HB3 LYS 39 2HB LYS 39 17.166 15.160 3.447
265 HG2 LYS 39 1HG LYS 39 14.996 14.716 4.295
266 HG3 LYS 39 2HG LYS 39 15.380 13.014 4.562
267 HD2 LYS 39 1HD LYS 39 17.115 13.748 6.207
268 HD3 LYS 39 2HD LYS 39 16.510 15.397 6.025
269 HE2 LYS 39 1HE LYS 39 14.889 13.024 6.945
270 HE3 LYS 39 2HE LYS 39 15.566 14.267 7.995
271 HZ1 LYS 39 3HZ LYS 39 13.810 15.065 5.779
272 HZ2 LYS 39 1HZ LYS 39 14.073 15.825 7.268
273 HZ3 LYS 39 2HZ LYS 39 13.119 14.431 7.186
274 HA PRO 40 HA PRO 40 18.709 14.619 -1.244
275 HB2 PRO 40 1HB PRO 40 18.471 17.307 -1.542
276 HB3 PRO 40 2HB PRO 40 17.267 16.163 -2.147
277 HG2 PRO 40 1HG PRO 40 17.236 17.796 0.362
278 HG3 PRO 40 2HG PRO 40 15.922 17.486 -0.787
279 HD2 PRO 40 1HD PRO 40 16.147 16.157 1.561
280 HD3 PRO 40 2HD PRO 40 15.464 15.410 0.103
281 H SER 41 H SER 41 20.825 14.505 -0.855
282 HA SER 41 HA SER 41 22.025 15.991 1.321
283 HB2 SER 41 1HB SER 41 22.542 13.538 0.485
284 HB3 SER 41 2HB SER 41 23.645 14.376 -0.606
285 HG SER 41 HG SER 41 23.748 15.178 2.036
286 H GLY 42 H GLY 42 24.337 16.893 0.766
287 HA2 GLY 42 1HA GLY 42 23.888 18.940 -1.266
288 HA3 GLY 42 2HA GLY 42 25.142 18.953 -0.034
289 HA PRO 43 HA PRO 43 27.893 17.948 -3.345
290 HB2 PRO 43 1HB PRO 43 30.093 17.486 -1.823
291 HB3 PRO 43 2HB PRO 43 29.483 19.110 -2.161
292 HG2 PRO 43 1HG PRO 43 29.100 17.411 0.274
293 HG3 PRO 43 2HG PRO 43 29.460 19.144 0.164
294 HD2 PRO 43 1HD PRO 43 26.966 18.202 0.640
295 HD3 PRO 43 2HD PRO 43 27.265 19.702 -0.262
296 H SER 44 H SER 44 26.548 15.837 -1.193
297 HA SER 44 HA SER 44 28.255 13.565 -1.588
298 HB2 SER 44 1HB SER 44 25.590 14.032 -0.305
299 HB3 SER 44 2HB SER 44 26.081 12.381 -0.682
300 HG SER 44 HG SER 44 27.732 12.533 0.719
301 H SER 45 H SER 45 27.867 14.472 -4.061
302 HA SER 45 HA SER 45 25.965 12.552 -5.237
303 HB2 SER 45 1HB SER 45 26.470 15.420 -5.881
304 HB3 SER 45 2HB SER 45 26.106 14.328 -7.217
305 HG SER 45 HG SER 45 24.130 14.840 -6.607
306 H GLY 46 H GLY 46 28.918 14.436 -5.892
307 HA2 GLY 46 1HA GLY 46 29.873 13.317 -8.156
308 HA3 GLY 46 2HA GLY 46 30.921 13.720 -6.805
Start of MODEL 8
1 H1 GLY 1 H GLY 1 9.498 -27.300 14.583
2 HA2 GLY 1 1HA GLY 1 7.510 -29.045 14.853
3 HA3 GLY 1 2HA GLY 1 7.461 -28.270 16.429
4 H SER 2 H SER 2 7.639 -27.342 12.990
5 HA SER 2 HA SER 2 6.252 -24.871 13.493
6 HB2 SER 2 1HB SER 2 6.432 -24.522 11.072
7 HB3 SER 2 2HB SER 2 7.981 -25.033 11.741
8 HG SER 2 HG SER 2 7.317 -27.213 11.078
9 H SER 3 H SER 3 4.130 -24.655 13.646
10 HA SER 3 HA SER 3 2.404 -26.522 12.162
11 HB2 SER 3 1HB SER 3 2.293 -25.729 15.050
12 HB3 SER 3 2HB SER 3 0.796 -26.113 14.200
13 HG SER 3 HG SER 3 1.435 -28.161 13.957
14 H GLY 4 H GLY 4 0.713 -25.638 11.089
15 HA2 GLY 4 1HA GLY 4 -0.922 -23.623 11.413
16 HA3 GLY 4 2HA GLY 4 0.549 -22.710 11.115
17 H SER 5 H SER 5 -2.158 -23.513 9.661
18 HA SER 5 HA SER 5 -1.073 -24.421 7.122
19 HB2 SER 5 1HB SER 5 -3.471 -24.352 6.390
20 HB3 SER 5 2HB SER 5 -3.181 -25.393 7.784
21 HG SER 5 HG SER 5 -4.595 -24.230 8.789
22 H SER 6 H SER 6 -0.485 -23.115 5.525
23 HA SER 6 HA SER 6 -0.372 -20.344 5.752
24 HB2 SER 6 1HB SER 6 0.933 -21.879 4.165
25 HB3 SER 6 2HB SER 6 -0.467 -21.773 3.097
26 HG SER 6 HG SER 6 0.451 -19.356 4.055
27 H GLY 7 H GLY 7 -2.503 -22.207 3.571
28 HA2 GLY 7 1HA GLY 7 -4.772 -21.827 3.152
29 HA3 GLY 7 2HA GLY 7 -4.678 -20.353 4.105
30 H THR 8 H THR 8 -5.745 -21.004 1.353
31 HA THR 8 HA THR 8 -4.064 -19.328 -0.341
32 HB THR 8 HB THR 8 -6.685 -20.558 -1.165
33 HG1 THR 8 HG1 THR 8 -4.883 -22.019 -0.205
34 HG21 THR 8 3HG2 THR 8 -4.174 -19.805 -2.665
35 HG22 THR 8 1HG2 THR 8 -5.718 -18.955 -2.711
36 HG23 THR 8 2HG2 THR 8 -5.587 -20.582 -3.379
37 H GLY 9 H GLY 9 -5.096 -17.883 1.749
38 HA2 GLY 9 1HA GLY 9 -7.060 -16.172 0.362
39 HA3 GLY 9 2HA GLY 9 -7.243 -16.562 2.065
40 H GLU 10 H GLU 10 -5.820 -14.474 -0.212
41 HA GLU 10 HA GLU 10 -4.380 -13.095 1.956
42 HB2 GLU 10 1HB GLU 10 -2.620 -12.479 0.458
43 HB3 GLU 10 2HB GLU 10 -2.843 -14.217 0.326
44 HG2 GLU 10 1HG GLU 10 -4.344 -13.666 -1.682
45 HG3 GLU 10 2HG GLU 10 -3.588 -12.075 -1.624
46 H LYS 11 H LYS 11 -3.930 -10.745 1.334
47 HA LYS 11 HA LYS 11 -6.453 -9.542 0.631
48 HB2 LYS 11 1HB LYS 11 -3.814 -8.493 1.609
49 HB3 LYS 11 2HB LYS 11 -5.047 -7.392 1.010
50 HG2 LYS 11 1HG LYS 11 -5.530 -9.380 3.213
51 HG3 LYS 11 2HG LYS 11 -5.012 -7.716 3.490
52 HD2 LYS 11 1HD LYS 11 -7.027 -6.836 2.832
53 HD3 LYS 11 2HD LYS 11 -7.397 -8.198 1.772
54 HE2 LYS 11 1HE LYS 11 -7.322 -8.441 4.770
55 HE3 LYS 11 2HE LYS 11 -8.782 -7.991 3.890
56 HZ1 LYS 11 3HZ LYS 11 -8.337 -10.460 4.460
57 HZ2 LYS 11 1HZ LYS 11 -7.310 -10.417 3.117
58 HZ3 LYS 11 2HZ LYS 11 -8.953 -10.059 2.937
59 HA PRO 12 HA PRO 12 -5.687 -8.580 -3.584
60 HB2 PRO 12 1HB PRO 12 -6.950 -6.189 -3.822
61 HB3 PRO 12 2HB PRO 12 -7.816 -7.720 -3.653
62 HG2 PRO 12 1HG PRO 12 -7.192 -5.658 -1.575
63 HG3 PRO 12 2HG PRO 12 -8.698 -6.554 -1.845
64 HD2 PRO 12 1HD PRO 12 -6.925 -7.235 0.085
65 HD3 PRO 12 2HD PRO 12 -7.921 -8.435 -0.763
66 H PHE 13 H PHE 13 -4.701 -6.339 -1.110
67 HA PHE 13 HA PHE 13 -2.654 -5.280 -2.941
68 HB2 PHE 13 1HB PHE 13 -3.955 -3.676 -0.737
69 HB3 PHE 13 2HB PHE 13 -2.845 -3.093 -1.973
70 HD1 PHE 13 HD1 PHE 13 -3.604 -3.019 -4.354
71 HD2 PHE 13 HD2 PHE 13 -6.269 -3.780 -1.124
72 HE1 PHE 13 HE1 PHE 13 -5.512 -2.441 -5.797
73 HE2 PHE 13 HE2 PHE 13 -8.181 -3.205 -2.562
74 HZ PHE 13 HZ PHE 13 -7.804 -2.535 -4.901
75 H GLU 14 H GLU 14 -0.737 -5.989 -2.299
76 HA GLU 14 HA GLU 14 -0.186 -6.116 0.592
77 HB2 GLU 14 1HB GLU 14 -0.376 -8.372 -0.344
78 HB3 GLU 14 2HB GLU 14 0.832 -7.980 -1.559
79 HG2 GLU 14 1HG GLU 14 2.333 -7.452 0.500
80 HG3 GLU 14 2HG GLU 14 1.173 -8.461 1.362
81 H CYS 15 H CYS 15 1.609 -5.116 1.298
82 HA CYS 15 HA CYS 15 2.938 -3.239 -0.279
83 HB2 CYS 15 1HB CYS 15 2.769 -3.419 2.294
84 HB3 CYS 15 2HB CYS 15 4.184 -4.459 2.172
85 H SER 16 H SER 16 5.381 -3.181 -0.550
86 HA SER 16 HA SER 16 6.246 -5.749 -1.698
87 HB2 SER 16 1HB SER 16 6.933 -2.900 -2.428
88 HB3 SER 16 2HB SER 16 7.826 -4.286 -3.051
89 HG SER 16 HG SER 16 5.084 -3.677 -3.424
90 H GLU 17 H GLU 17 7.063 -3.212 0.528
91 HA GLU 17 HA GLU 17 9.777 -4.147 0.912
92 HB2 GLU 17 1HB GLU 17 8.119 -1.984 2.195
93 HB3 GLU 17 2HB GLU 17 9.708 -2.423 2.807
94 HG2 GLU 17 1HG GLU 17 9.034 -1.309 0.099
95 HG3 GLU 17 2HG GLU 17 9.956 -0.533 1.385
96 H CYS 18 H CYS 18 7.066 -3.652 3.180
97 HA CYS 18 HA CYS 18 8.155 -5.697 4.932
98 HB2 CYS 18 1HB CYS 18 6.439 -4.989 6.509
99 HB3 CYS 18 2HB CYS 18 7.292 -3.584 5.878
100 H GLN 19 H GLN 19 5.839 -5.442 2.447
101 HA GLN 19 HA GLN 19 4.425 -6.955 1.503
102 HB2 GLN 19 1HB GLN 19 5.587 -8.944 3.457
103 HB3 GLN 19 2HB GLN 19 4.712 -9.311 1.977
104 HG2 GLN 19 1HG GLN 19 6.659 -7.863 0.914
105 HG3 GLN 19 2HG GLN 19 7.506 -8.410 2.361
106 HE21 GLN 19 1HE2 GLN 19 6.057 -9.349 -0.645
107 HE22 GLN 19 2HE2 GLN 19 6.692 -10.956 -0.687
108 H LYS 20 H LYS 20 3.625 -5.338 3.765
109 HA LYS 20 HA LYS 20 2.027 -6.833 5.565
110 HB2 LYS 20 1HB LYS 20 2.773 -4.559 6.072
111 HB3 LYS 20 2HB LYS 20 1.825 -3.933 4.729
112 HG2 LYS 20 1HG LYS 20 -0.208 -4.378 5.813
113 HG3 LYS 20 2HG LYS 20 0.564 -5.426 7.005
114 HD2 LYS 20 1HD LYS 20 1.885 -3.292 7.658
115 HD3 LYS 20 2HD LYS 20 0.595 -2.437 6.807
116 HE2 LYS 20 1HE LYS 20 -0.987 -3.866 8.273
117 HE3 LYS 20 2HE LYS 20 0.439 -4.129 9.275
118 HZ1 LYS 20 3HZ LYS 20 0.547 -1.505 9.025
119 HZ2 LYS 20 1HZ LYS 20 -0.331 -2.263 10.257
120 HZ3 LYS 20 2HZ LYS 20 -1.126 -1.705 8.872
121 H ALA 21 H ALA 21 -0.370 -6.618 5.708
122 HA ALA 21 HA ALA 21 -1.547 -7.007 3.043
123 HB1 ALA 21 3HB ALA 21 -2.124 -8.933 4.064
124 HB2 ALA 21 1HB ALA 21 -1.996 -8.241 5.681
125 HB3 ALA 21 2HB ALA 21 -3.440 -7.951 4.709
126 H PHE 22 H PHE 22 -3.082 -5.677 2.296
127 HA PHE 22 HA PHE 22 -4.403 -3.851 4.182
128 HB2 PHE 22 1HB PHE 22 -3.014 -3.148 1.602
129 HB3 PHE 22 2HB PHE 22 -4.250 -2.109 2.304
130 HD1 PHE 22 HD1 PHE 22 -3.869 -1.058 4.510
131 HD2 PHE 22 HD2 PHE 22 -0.819 -3.228 2.485
132 HE1 PHE 22 HE1 PHE 22 -2.172 -0.011 5.952
133 HE2 PHE 22 HE2 PHE 22 0.883 -2.186 3.924
134 HZ PHE 22 HZ PHE 22 0.207 -0.576 5.661
135 H ASN 23 H ASN 23 -6.421 -2.944 3.381
136 HA ASN 23 HA ASN 23 -7.856 -4.898 1.758
137 HB2 ASN 23 1HB ASN 23 -9.836 -4.094 2.724
138 HB3 ASN 23 2HB ASN 23 -8.663 -3.986 4.034
139 HD21 ASN 23 1HD2 ASN 23 -11.138 -2.428 2.704
140 HD22 ASN 23 2HD2 ASN 23 -10.711 -0.789 3.048
141 H THR 24 H THR 24 -7.291 -1.396 1.882
142 HA THR 24 HA THR 24 -8.222 -1.218 -0.908
143 HB THR 24 HB THR 24 -8.494 1.232 -0.460
144 HG1 THR 24 HG1 THR 24 -8.637 1.713 1.882
145 HG21 THR 24 3HG2 THR 24 -10.567 0.326 -0.358
146 HG22 THR 24 1HG2 THR 24 -10.416 0.703 1.358
147 HG23 THR 24 2HG2 THR 24 -10.079 -0.929 0.780
148 H LYS 25 H LYS 25 -7.035 0.062 -2.385
149 HA LYS 25 HA LYS 25 -4.220 -0.169 -2.136
150 HB2 LYS 25 1HB LYS 25 -5.660 -0.152 -4.272
151 HB3 LYS 25 2HB LYS 25 -5.610 1.601 -4.134
152 HG2 LYS 25 1HG LYS 25 -3.312 1.686 -4.510
153 HG3 LYS 25 2HG LYS 25 -3.095 -0.026 -4.141
154 HD2 LYS 25 1HD LYS 25 -2.908 0.204 -6.500
155 HD3 LYS 25 2HD LYS 25 -4.480 -0.532 -6.181
156 HE2 LYS 25 1HE LYS 25 -5.373 1.886 -6.240
157 HE3 LYS 25 2HE LYS 25 -3.844 2.274 -7.028
158 HZ1 LYS 25 3HZ LYS 25 -4.360 0.650 -8.743
159 HZ2 LYS 25 1HZ LYS 25 -5.579 1.818 -8.643
160 HZ3 LYS 25 2HZ LYS 25 -5.827 0.280 -7.986
161 H SER 26 H SER 26 -6.285 2.731 -2.393
162 HA SER 26 HA SER 26 -4.525 4.738 -2.088
163 HB2 SER 26 1HB SER 26 -6.266 5.994 -0.841
164 HB3 SER 26 2HB SER 26 -6.924 5.142 -2.238
165 HG SER 26 HG SER 26 -7.028 4.272 0.464
166 H ASN 27 H ASN 27 -5.778 2.762 0.581
167 HA ASN 27 HA ASN 27 -4.373 4.090 2.635
168 HB2 ASN 27 1HB ASN 27 -5.799 1.488 2.365
169 HB3 ASN 27 2HB ASN 27 -4.698 1.676 3.727
170 HD21 ASN 27 1HD2 ASN 27 -5.631 2.352 5.502
171 HD22 ASN 27 2HD2 ASN 27 -7.017 3.379 5.605
172 H LEU 28 H LEU 28 -3.577 1.302 0.618
173 HA LEU 28 HA LEU 28 -1.212 0.554 1.949
174 HB2 LEU 28 1HB LEU 28 -2.136 -1.016 0.474
175 HB3 LEU 28 2HB LEU 28 -2.228 0.150 -0.844
176 HG LEU 28 HG LEU 28 0.219 0.085 -1.055
177 HD11 LEU 28 1HD1 LEU 28 1.235 -2.009 0.162
178 HD12 LEU 28 2HD1 LEU 28 -0.051 -1.683 1.324
179 HD13 LEU 28 3HD1 LEU 28 1.150 -0.442 0.967
180 HD21 LEU 28 3HD2 LEU 28 -1.083 -2.635 -1.144
181 HD22 LEU 28 1HD2 LEU 28 0.378 -2.154 -2.006
182 HD23 LEU 28 2HD2 LEU 28 -1.168 -1.407 -2.408
183 H ILE 29 H ILE 29 -1.683 2.537 -0.974
184 HA ILE 29 HA ILE 29 0.927 3.171 -1.545
185 HB ILE 29 HB ILE 29 -1.445 5.030 -1.743
186 HG12 ILE 29 1HG1 ILE 29 -0.260 3.352 -3.946
187 HG13 ILE 29 2HG1 ILE 29 -1.530 2.732 -2.896
188 HG21 ILE 29 1HG2 ILE 29 1.348 5.171 -2.793
189 HG22 ILE 29 2HG2 ILE 29 0.026 5.901 -3.703
190 HG23 ILE 29 3HG2 ILE 29 0.361 6.434 -2.056
191 HD11 ILE 29 3HD1 ILE 29 -3.016 3.648 -4.246
192 HD12 ILE 29 1HD1 ILE 29 -2.409 5.239 -3.788
193 HD13 ILE 29 2HD1 ILE 29 -1.740 4.411 -5.195
194 H VAL 30 H VAL 30 -1.257 4.967 0.623
195 HA VAL 30 HA VAL 30 0.614 6.898 1.434
196 HB VAL 30 HB VAL 30 -1.776 5.836 2.947
197 HG11 VAL 30 1HG1 VAL 30 0.222 7.893 3.570
198 HG12 VAL 30 2HG1 VAL 30 -1.455 8.413 3.745
199 HG13 VAL 30 3HG1 VAL 30 -0.868 7.007 4.636
200 HG21 VAL 30 3HG2 VAL 30 -2.771 6.733 1.106
201 HG22 VAL 30 1HG2 VAL 30 -2.585 8.206 2.058
202 HG23 VAL 30 2HG2 VAL 30 -1.430 7.831 0.778
203 H HIS 31 H HIS 31 0.144 3.603 2.383
204 HA HIS 31 HA HIS 31 1.579 3.803 4.865
205 HB2 HIS 31 1HB HIS 31 0.139 2.011 4.951
206 HB3 HIS 31 2HB HIS 31 0.377 1.600 3.255
207 HD1 HIS 31 HD1 HIS 31 2.307 1.417 6.525
208 HD2 HIS 31 HD2 HIS 31 2.007 -0.530 2.867
209 HE1 HIS 31 HE1 HIS 31 3.813 -0.589 6.706
210 H GLN 32 H GLN 32 2.300 2.402 1.670
211 HA GLN 32 HA GLN 32 4.805 1.429 2.034
212 HB2 GLN 32 1HB GLN 32 3.621 2.924 -0.290
213 HB3 GLN 32 2HB GLN 32 5.265 2.303 -0.354
214 HG2 GLN 32 1HG GLN 32 4.362 0.041 0.148
215 HG3 GLN 32 2HG GLN 32 2.738 0.714 0.011
216 HE21 GLN 32 1HE2 GLN 32 3.228 -1.294 -1.601
217 HE22 GLN 32 2HE2 GLN 32 3.493 -0.776 -3.228
218 H ARG 33 H ARG 33 3.931 4.828 1.613
219 HA ARG 33 HA ARG 33 6.426 5.971 1.352
220 HB2 ARG 33 1HB ARG 33 4.465 7.323 3.142
221 HB3 ARG 33 2HB ARG 33 5.422 7.984 1.824
222 HG2 ARG 33 1HG ARG 33 3.852 6.406 0.388
223 HG3 ARG 33 2HG ARG 33 2.780 6.646 1.769
224 HD2 ARG 33 1HD ARG 33 4.106 8.902 0.280
225 HD3 ARG 33 2HD ARG 33 2.503 8.286 -0.119
226 HE ARG 33 HE ARG 33 2.543 8.898 2.605
227 HH11 ARG 33 1HH1 ARG 33 2.747 10.523 -0.468
228 HH12 ARG 33 2HH1 ARG 33 2.051 11.997 0.119
229 HH21 ARG 33 1HH2 ARG 33 1.626 10.834 3.388
230 HH22 ARG 33 2HH2 ARG 33 1.414 12.173 2.312
231 H THR 34 H THR 34 4.790 4.887 4.281
232 HA THR 34 HA THR 34 6.283 5.950 6.285
233 HB THR 34 HB THR 34 5.865 3.941 7.610
234 HG1 THR 34 HG1 THR 34 5.908 2.101 6.578
235 HG21 THR 34 3HG2 THR 34 3.687 4.961 5.826
236 HG22 THR 34 1HG2 THR 34 3.949 5.251 7.545
237 HG23 THR 34 2HG2 THR 34 3.351 3.685 6.995
238 H HIS 35 H HIS 35 7.248 3.387 4.083
239 HA HIS 35 HA HIS 35 9.742 2.926 5.487
240 HB2 HIS 35 1HB HIS 35 9.135 1.841 2.758
241 HB3 HIS 35 2HB HIS 35 10.074 1.114 4.059
242 HD1 HIS 35 HD1 HIS 35 8.480 0.477 6.253
243 HD2 HIS 35 HD2 HIS 35 6.668 0.769 2.526
244 HE1 HIS 35 HE1 HIS 35 6.309 -0.774 6.462
245 H THR 36 H THR 36 10.011 5.419 5.078
246 HA THR 36 HA THR 36 10.595 6.716 2.830
247 HB THR 36 HB THR 36 11.059 7.876 4.822
248 HG1 THR 36 HG1 THR 36 12.766 8.868 4.050
249 HG21 THR 36 3HG2 THR 36 12.075 5.451 5.729
250 HG22 THR 36 1HG2 THR 36 12.003 6.964 6.630
251 HG23 THR 36 2HG2 THR 36 13.462 6.540 5.736
252 H GLY 37 H GLY 37 12.159 6.833 1.254
253 HA2 GLY 37 1HA GLY 37 13.954 4.501 1.107
254 HA3 GLY 37 2HA GLY 37 13.358 5.410 -0.274
255 H GLU 38 H GLU 38 15.169 6.073 2.731
256 HA GLU 38 HA GLU 38 17.000 7.730 1.124
257 HB2 GLU 38 1HB GLU 38 17.480 8.960 3.223
258 HB3 GLU 38 2HB GLU 38 15.800 9.087 2.722
259 HG2 GLU 38 1HG GLU 38 15.182 7.380 4.356
260 HG3 GLU 38 2HG GLU 38 16.866 7.256 4.860
261 H LYS 39 H LYS 39 17.675 5.224 0.938
262 HA LYS 39 HA LYS 39 19.838 4.846 2.904
263 HB2 LYS 39 1HB LYS 39 17.945 3.166 3.031
264 HB3 LYS 39 2HB LYS 39 18.429 2.619 1.431
265 HG2 LYS 39 1HG LYS 39 20.637 2.034 2.297
266 HG3 LYS 39 2HG LYS 39 20.150 2.581 3.903
267 HD2 LYS 39 1HD LYS 39 18.500 0.860 4.065
268 HD3 LYS 39 2HD LYS 39 18.726 0.409 2.373
269 HE2 LYS 39 1HE LYS 39 19.883 -1.214 3.636
270 HE3 LYS 39 2HE LYS 39 21.120 -0.143 2.980
271 HZ1 LYS 39 3HZ LYS 39 21.637 0.659 5.015
272 HZ2 LYS 39 1HZ LYS 39 21.053 -0.848 5.516
273 HZ3 LYS 39 2HZ LYS 39 20.062 0.518 5.615
274 HA PRO 40 HA PRO 40 21.642 5.347 -1.347
275 HB2 PRO 40 1HB PRO 40 23.612 7.044 -0.565
276 HB3 PRO 40 2HB PRO 40 21.994 7.594 -1.016
277 HG2 PRO 40 1HG PRO 40 23.151 7.145 1.708
278 HG3 PRO 40 2HG PRO 40 22.140 8.481 1.129
279 HD2 PRO 40 1HD PRO 40 21.143 6.422 2.576
280 HD3 PRO 40 2HD PRO 40 20.193 7.265 1.335
281 H SER 41 H SER 41 22.254 3.104 -1.049
282 HA SER 41 HA SER 41 25.025 2.833 -0.091
283 HB2 SER 41 1HB SER 41 23.181 1.755 1.373
284 HB3 SER 41 2HB SER 41 23.050 0.568 0.075
285 HG SER 41 HG SER 41 25.493 0.495 0.395
286 H GLY 42 H GLY 42 26.419 1.848 -1.445
287 HA2 GLY 42 1HA GLY 42 26.224 1.685 -4.092
288 HA3 GLY 42 2HA GLY 42 27.137 0.481 -3.195
289 HA PRO 43 HA PRO 43 22.732 -1.209 -4.450
290 HB2 PRO 43 1HB PRO 43 21.978 -0.318 -6.901
291 HB3 PRO 43 2HB PRO 43 21.501 0.483 -5.399
292 HG2 PRO 43 1HG PRO 43 23.698 1.188 -7.307
293 HG3 PRO 43 2HG PRO 43 22.539 2.254 -6.492
294 HD2 PRO 43 1HD PRO 43 25.084 1.935 -5.625
295 HD3 PRO 43 2HD PRO 43 23.732 2.250 -4.519
296 H SER 44 H SER 44 22.280 -2.914 -5.990
297 HA SER 44 HA SER 44 24.556 -3.574 -7.737
298 HB2 SER 44 1HB SER 44 23.281 -5.197 -5.588
299 HB3 SER 44 2HB SER 44 23.798 -6.039 -7.049
300 HG SER 44 HG SER 44 25.547 -4.251 -5.766
301 H SER 45 H SER 45 23.873 -5.562 -9.169
302 HA SER 45 HA SER 45 22.018 -4.718 -11.012
303 HB2 SER 45 1HB SER 45 23.671 -6.499 -11.441
304 HB3 SER 45 2HB SER 45 22.757 -7.591 -10.401
305 HG SER 45 HG SER 45 21.093 -6.552 -12.197
306 H GLY 46 H GLY 46 21.494 -7.208 -8.509
307 HA2 GLY 46 1HA GLY 46 19.509 -7.310 -7.190
308 HA3 GLY 46 2HA GLY 46 18.660 -6.438 -8.458
Start of MODEL 9
1 H1 GLY 1 H GLY 1 8.619 -33.057 15.650
2 HA2 GLY 1 1HA GLY 1 7.377 -31.587 17.043
3 HA3 GLY 1 2HA GLY 1 8.042 -30.538 15.800
4 H SER 2 H SER 2 6.413 -29.047 15.742
5 HA SER 2 HA SER 2 3.920 -29.955 14.516
6 HB2 SER 2 1HB SER 2 3.575 -29.782 17.006
7 HB3 SER 2 2HB SER 2 3.926 -28.059 16.873
8 HG SER 2 HG SER 2 1.641 -28.705 16.782
9 H SER 3 H SER 3 2.632 -28.109 13.659
10 HA SER 3 HA SER 3 3.880 -25.561 13.325
11 HB2 SER 3 1HB SER 3 5.108 -27.204 11.725
12 HB3 SER 3 2HB SER 3 3.632 -27.117 10.764
13 HG SER 3 HG SER 3 4.733 -25.460 9.974
14 H GLY 4 H GLY 4 2.536 -24.045 12.259
15 HA2 GLY 4 1HA GLY 4 0.251 -24.471 10.810
16 HA3 GLY 4 2HA GLY 4 -0.259 -24.651 12.482
17 H SER 5 H SER 5 0.006 -22.508 9.995
18 HA SER 5 HA SER 5 0.068 -20.212 11.843
19 HB2 SER 5 1HB SER 5 1.353 -20.612 9.183
20 HB3 SER 5 2HB SER 5 0.733 -19.004 9.559
21 HG SER 5 HG SER 5 2.294 -20.320 11.473
22 H SER 6 H SER 6 -1.031 -18.238 10.785
23 HA SER 6 HA SER 6 -3.727 -19.032 10.151
24 HB2 SER 6 1HB SER 6 -4.294 -16.714 10.399
25 HB3 SER 6 2HB SER 6 -3.131 -17.103 11.667
26 HG SER 6 HG SER 6 -2.667 -15.126 10.550
27 H GLY 7 H GLY 7 -4.855 -18.654 8.260
28 HA2 GLY 7 1HA GLY 7 -3.882 -17.195 6.053
29 HA3 GLY 7 2HA GLY 7 -3.463 -18.889 5.844
30 H THR 8 H THR 8 -6.316 -17.042 6.932
31 HA THR 8 HA THR 8 -8.117 -18.964 5.795
32 HB THR 8 HB THR 8 -9.889 -17.306 6.425
33 HG1 THR 8 HG1 THR 8 -7.826 -15.858 7.720
34 HG21 THR 8 3HG2 THR 8 -9.407 -18.967 8.036
35 HG22 THR 8 1HG2 THR 8 -9.393 -17.440 8.917
36 HG23 THR 8 2HG2 THR 8 -7.873 -18.213 8.469
37 H GLY 9 H GLY 9 -7.511 -15.508 5.113
38 HA2 GLY 9 1HA GLY 9 -8.296 -16.052 2.317
39 HA3 GLY 9 2HA GLY 9 -8.843 -14.614 3.167
40 H GLU 10 H GLU 10 -7.711 -13.949 0.967
41 HA GLU 10 HA GLU 10 -5.010 -13.072 1.722
42 HB2 GLU 10 1HB GLU 10 -5.119 -15.002 -0.004
43 HB3 GLU 10 2HB GLU 10 -5.679 -13.767 -1.122
44 HG2 GLU 10 1HG GLU 10 -3.659 -12.726 -1.212
45 HG3 GLU 10 2HG GLU 10 -3.208 -13.216 0.420
46 H LYS 11 H LYS 11 -4.453 -11.009 1.114
47 HA LYS 11 HA LYS 11 -6.673 -9.333 0.212
48 HB2 LYS 11 1HB LYS 11 -4.106 -8.799 1.671
49 HB3 LYS 11 2HB LYS 11 -4.958 -7.484 0.872
50 HG2 LYS 11 1HG LYS 11 -5.677 -7.440 3.102
51 HG3 LYS 11 2HG LYS 11 -6.998 -8.185 2.200
52 HD2 LYS 11 1HD LYS 11 -5.837 -10.416 2.831
53 HD3 LYS 11 2HD LYS 11 -5.028 -9.451 4.068
54 HE2 LYS 11 1HE LYS 11 -7.284 -8.700 4.838
55 HE3 LYS 11 2HE LYS 11 -7.995 -9.851 3.708
56 HZ1 LYS 11 3HZ LYS 11 -7.371 -10.406 6.259
57 HZ2 LYS 11 1HZ LYS 11 -5.992 -10.973 5.459
58 HZ3 LYS 11 2HZ LYS 11 -7.518 -11.568 5.038
59 HA PRO 12 HA PRO 12 -4.991 -8.797 -3.821
60 HB2 PRO 12 1HB PRO 12 -6.161 -6.432 -4.461
61 HB3 PRO 12 2HB PRO 12 -7.050 -7.959 -4.404
62 HG2 PRO 12 1HG PRO 12 -6.890 -5.783 -2.354
63 HG3 PRO 12 2HG PRO 12 -8.303 -6.705 -2.900
64 HD2 PRO 12 1HD PRO 12 -7.001 -7.267 -0.594
65 HD3 PRO 12 2HD PRO 12 -7.791 -8.519 -1.573
66 H PHE 13 H PHE 13 -4.743 -6.192 -1.459
67 HA PHE 13 HA PHE 13 -2.446 -5.086 -2.914
68 HB2 PHE 13 1HB PHE 13 -3.972 -3.894 -0.590
69 HB3 PHE 13 2HB PHE 13 -2.719 -3.096 -1.535
70 HD1 PHE 13 HD1 PHE 13 -3.159 -2.400 -3.842
71 HD2 PHE 13 HD2 PHE 13 -6.207 -4.090 -1.399
72 HE1 PHE 13 HE1 PHE 13 -4.869 -1.556 -5.397
73 HE2 PHE 13 HE2 PHE 13 -7.921 -3.250 -2.950
74 HZ PHE 13 HZ PHE 13 -7.253 -1.981 -4.953
75 H GLU 14 H GLU 14 -0.466 -5.565 -2.252
76 HA GLU 14 HA GLU 14 0.021 -6.055 0.594
77 HB2 GLU 14 1HB GLU 14 -0.311 -8.239 -0.647
78 HB3 GLU 14 2HB GLU 14 1.148 -7.856 -1.549
79 HG2 GLU 14 1HG GLU 14 2.520 -8.183 0.255
80 HG3 GLU 14 2HG GLU 14 1.250 -7.827 1.424
81 H CYS 15 H CYS 15 1.826 -5.112 1.325
82 HA CYS 15 HA CYS 15 3.271 -3.302 -0.249
83 HB2 CYS 15 1HB CYS 15 2.991 -3.476 2.344
84 HB3 CYS 15 2HB CYS 15 4.435 -4.480 2.252
85 H SER 16 H SER 16 5.684 -3.333 -0.513
86 HA SER 16 HA SER 16 6.491 -5.960 -1.553
87 HB2 SER 16 1HB SER 16 6.388 -3.981 -3.122
88 HB3 SER 16 2HB SER 16 7.725 -3.279 -2.210
89 HG SER 16 HG SER 16 8.714 -5.491 -2.685
90 H GLU 17 H GLU 17 7.267 -3.524 0.765
91 HA GLU 17 HA GLU 17 9.934 -4.570 1.255
92 HB2 GLU 17 1HB GLU 17 8.339 -2.294 2.405
93 HB3 GLU 17 2HB GLU 17 9.839 -2.828 3.151
94 HG2 GLU 17 1HG GLU 17 9.525 -1.836 0.327
95 HG3 GLU 17 2HG GLU 17 10.206 -0.932 1.678
96 H CYS 18 H CYS 18 7.225 -3.841 3.455
97 HA CYS 18 HA CYS 18 8.087 -5.951 5.242
98 HB2 CYS 18 1HB CYS 18 6.318 -5.129 6.726
99 HB3 CYS 18 2HB CYS 18 7.332 -3.804 6.163
100 H GLN 19 H GLN 19 5.953 -5.629 2.630
101 HA GLN 19 HA GLN 19 4.437 -7.025 1.669
102 HB2 GLN 19 1HB GLN 19 5.694 -9.005 3.573
103 HB3 GLN 19 2HB GLN 19 4.542 -9.442 2.318
104 HG2 GLN 19 1HG GLN 19 7.133 -8.037 1.741
105 HG3 GLN 19 2HG GLN 19 6.972 -9.793 1.772
106 HE21 GLN 19 1HE2 GLN 19 4.586 -10.208 0.579
107 HE22 GLN 19 2HE2 GLN 19 4.626 -9.658 -1.059
108 H LYS 20 H LYS 20 3.455 -5.361 3.632
109 HA LYS 20 HA LYS 20 1.809 -6.854 5.468
110 HB2 LYS 20 1HB LYS 20 2.758 -4.574 5.950
111 HB3 LYS 20 2HB LYS 20 1.632 -3.921 4.767
112 HG2 LYS 20 1HG LYS 20 0.378 -3.590 6.611
113 HG3 LYS 20 2HG LYS 20 -0.099 -5.260 6.296
114 HD2 LYS 20 1HD LYS 20 2.329 -4.859 7.939
115 HD3 LYS 20 2HD LYS 20 0.791 -4.411 8.679
116 HE2 LYS 20 1HE LYS 20 -0.072 -6.598 8.433
117 HE3 LYS 20 2HE LYS 20 1.230 -7.068 7.340
118 HZ1 LYS 20 3HZ LYS 20 2.665 -6.452 9.447
119 HZ2 LYS 20 1HZ LYS 20 1.989 -7.990 9.250
120 HZ3 LYS 20 2HZ LYS 20 1.234 -6.857 10.253
121 H ALA 21 H ALA 21 -0.466 -6.958 5.449
122 HA ALA 21 HA ALA 21 -1.596 -7.010 2.766
123 HB1 ALA 21 3HB ALA 21 -3.487 -8.183 3.839
124 HB2 ALA 21 1HB ALA 21 -1.936 -8.971 4.128
125 HB3 ALA 21 2HB ALA 21 -2.683 -8.000 5.398
126 H PHE 22 H PHE 22 -3.232 -5.734 2.049
127 HA PHE 22 HA PHE 22 -4.427 -3.821 3.927
128 HB2 PHE 22 1HB PHE 22 -2.987 -3.201 1.363
129 HB3 PHE 22 2HB PHE 22 -4.251 -2.133 1.962
130 HD1 PHE 22 HD1 PHE 22 -3.943 -0.869 4.017
131 HD2 PHE 22 HD2 PHE 22 -0.863 -3.365 2.470
132 HE1 PHE 22 HE1 PHE 22 -2.312 0.236 5.491
133 HE2 PHE 22 HE2 PHE 22 0.773 -2.265 3.941
134 HZ PHE 22 HZ PHE 22 0.049 -0.462 5.455
135 H ASN 23 H ASN 23 -6.447 -2.911 3.209
136 HA ASN 23 HA ASN 23 -7.931 -4.789 1.536
137 HB2 ASN 23 1HB ASN 23 -8.611 -3.849 3.918
138 HB3 ASN 23 2HB ASN 23 -9.254 -2.519 2.958
139 HD21 ASN 23 1HD2 ASN 23 -10.205 -5.127 4.486
140 HD22 ASN 23 2HD2 ASN 23 -11.483 -5.679 3.463
141 H THR 24 H THR 24 -7.448 -1.282 1.868
142 HA THR 24 HA THR 24 -8.425 -0.956 -0.890
143 HB THR 24 HB THR 24 -8.669 1.473 -0.284
144 HG1 THR 24 HG1 THR 24 -8.772 1.813 2.070
145 HG21 THR 24 3HG2 THR 24 -10.721 1.143 1.056
146 HG22 THR 24 1HG2 THR 24 -10.243 -0.530 1.339
147 HG23 THR 24 2HG2 THR 24 -10.609 0.017 -0.297
148 H LYS 25 H LYS 25 -7.236 0.221 -2.381
149 HA LYS 25 HA LYS 25 -4.447 0.028 -2.244
150 HB2 LYS 25 1HB LYS 25 -5.781 0.163 -4.344
151 HB3 LYS 25 2HB LYS 25 -6.063 1.868 -4.017
152 HG2 LYS 25 1HG LYS 25 -3.474 2.019 -3.944
153 HG3 LYS 25 2HG LYS 25 -3.541 0.488 -4.819
154 HD2 LYS 25 1HD LYS 25 -5.120 2.875 -5.722
155 HD3 LYS 25 2HD LYS 25 -3.429 2.664 -6.184
156 HE2 LYS 25 1HE LYS 25 -4.169 0.311 -6.942
157 HE3 LYS 25 2HE LYS 25 -5.804 0.968 -6.873
158 HZ1 LYS 25 3HZ LYS 25 -5.265 2.585 -8.496
159 HZ2 LYS 25 1HZ LYS 25 -4.697 1.106 -9.089
160 HZ3 LYS 25 2HZ LYS 25 -3.614 2.224 -8.427
161 H SER 26 H SER 26 -6.475 2.961 -2.109
162 HA SER 26 HA SER 26 -4.625 4.894 -1.710
163 HB2 SER 26 1HB SER 26 -6.315 6.071 -0.287
164 HB3 SER 26 2HB SER 26 -6.981 5.431 -1.789
165 HG SER 26 HG SER 26 -7.406 4.615 0.846
166 H ASN 27 H ASN 27 -6.057 2.958 0.920
167 HA ASN 27 HA ASN 27 -4.630 3.980 3.044
168 HB2 ASN 27 1HB ASN 27 -5.768 1.257 2.490
169 HB3 ASN 27 2HB ASN 27 -4.858 1.553 3.969
170 HD21 ASN 27 1HD2 ASN 27 -6.178 1.840 5.601
171 HD22 ASN 27 2HD2 ASN 27 -7.652 2.742 5.579
172 H LEU 28 H LEU 28 -3.735 1.180 1.028
173 HA LEU 28 HA LEU 28 -1.291 0.616 2.234
174 HB2 LEU 28 1HB LEU 28 -2.130 -0.985 0.753
175 HB3 LEU 28 2HB LEU 28 -2.348 0.194 -0.538
176 HG LEU 28 HG LEU 28 0.151 0.330 -0.709
177 HD11 LEU 28 1HD1 LEU 28 1.502 -1.370 0.299
178 HD12 LEU 28 2HD1 LEU 28 0.085 -2.149 1.000
179 HD13 LEU 28 3HD1 LEU 28 0.590 -0.559 1.572
180 HD21 LEU 28 3HD2 LEU 28 -0.752 -2.490 -1.150
181 HD22 LEU 28 1HD2 LEU 28 0.281 -1.475 -2.158
182 HD23 LEU 28 2HD2 LEU 28 -1.453 -1.163 -2.078
183 H ILE 29 H ILE 29 -1.877 2.546 -0.708
184 HA ILE 29 HA ILE 29 0.629 3.356 -1.345
185 HB ILE 29 HB ILE 29 -1.812 5.135 -1.299
186 HG12 ILE 29 1HG1 ILE 29 -0.663 3.520 -3.582
187 HG13 ILE 29 2HG1 ILE 29 -2.000 2.974 -2.575
188 HG21 ILE 29 1HG2 ILE 29 -0.104 5.816 -3.419
189 HG22 ILE 29 2HG2 ILE 29 -0.473 6.768 -1.981
190 HG23 ILE 29 3HG2 ILE 29 0.916 5.682 -1.986
191 HD11 ILE 29 3HD1 ILE 29 -3.245 5.023 -3.272
192 HD12 ILE 29 1HD1 ILE 29 -1.947 5.341 -4.423
193 HD13 ILE 29 2HD1 ILE 29 -2.914 3.873 -4.568
194 H VAL 30 H VAL 30 -1.469 5.025 1.007
195 HA VAL 30 HA VAL 30 0.322 6.990 1.809
196 HB VAL 30 HB VAL 30 -1.773 5.605 3.488
197 HG11 VAL 30 1HG1 VAL 30 -1.585 7.277 5.072
198 HG12 VAL 30 2HG1 VAL 30 0.099 7.011 4.618
199 HG13 VAL 30 3HG1 VAL 30 -0.787 8.387 3.959
200 HG21 VAL 30 3HG2 VAL 30 -2.132 7.099 1.212
201 HG22 VAL 30 1HG2 VAL 30 -3.334 6.848 2.477
202 HG23 VAL 30 2HG2 VAL 30 -2.322 8.292 2.496
203 H HIS 31 H HIS 31 0.061 3.634 2.803
204 HA HIS 31 HA HIS 31 1.901 3.868 4.986
205 HB2 HIS 31 1HB HIS 31 0.486 2.063 5.283
206 HB3 HIS 31 2HB HIS 31 0.530 1.612 3.581
207 HD1 HIS 31 HD1 HIS 31 2.460 1.245 6.778
208 HD2 HIS 31 HD2 HIS 31 2.546 -0.164 2.871
209 HE1 HIS 31 HE1 HIS 31 4.130 -0.635 6.778
210 H GLN 32 H GLN 32 2.134 2.248 1.813
211 HA GLN 32 HA GLN 32 4.674 1.398 1.752
212 HB2 GLN 32 1HB GLN 32 2.988 2.701 -0.336
213 HB3 GLN 32 2HB GLN 32 4.677 2.380 -0.709
214 HG2 GLN 32 1HG GLN 32 4.225 -0.010 0.017
215 HG3 GLN 32 2HG GLN 32 2.515 0.416 -0.032
216 HE21 GLN 32 1HE2 GLN 32 4.305 -1.402 -1.655
217 HE22 GLN 32 2HE2 GLN 32 3.961 -0.977 -3.294
218 H ARG 33 H ARG 33 3.695 4.773 1.294
219 HA ARG 33 HA ARG 33 6.092 5.937 0.643
220 HB2 ARG 33 1HB ARG 33 4.419 7.321 2.684
221 HB3 ARG 33 2HB ARG 33 5.142 7.953 1.211
222 HG2 ARG 33 1HG ARG 33 3.390 6.310 0.091
223 HG3 ARG 33 2HG ARG 33 2.549 6.582 1.618
224 HD2 ARG 33 1HD ARG 33 1.747 8.227 0.123
225 HD3 ARG 33 2HD ARG 33 2.865 9.053 1.208
226 HE ARG 33 HE ARG 33 4.466 8.448 -0.838
227 HH11 ARG 33 1HH1 ARG 33 1.277 9.841 -0.764
228 HH12 ARG 33 2HH1 ARG 33 1.504 10.762 -2.213
229 HH21 ARG 33 1HH2 ARG 33 4.777 9.656 -2.747
230 HH22 ARG 33 2HH2 ARG 33 3.495 10.656 -3.341
231 H THR 34 H THR 34 4.905 5.133 3.888
232 HA THR 34 HA THR 34 6.820 6.230 5.489
233 HB THR 34 HB THR 34 4.858 4.860 6.258
234 HG1 THR 34 HG1 THR 34 6.102 5.285 7.952
235 HG21 THR 34 3HG2 THR 34 6.025 2.854 4.768
236 HG22 THR 34 1HG2 THR 34 4.731 2.644 5.948
237 HG23 THR 34 2HG2 THR 34 6.410 2.398 6.428
238 H HIS 35 H HIS 35 7.188 3.560 3.294
239 HA HIS 35 HA HIS 35 9.702 2.679 4.391
240 HB2 HIS 35 1HB HIS 35 8.175 1.983 1.885
241 HB3 HIS 35 2HB HIS 35 9.773 1.324 2.227
242 HD1 HIS 35 HD1 HIS 35 9.795 0.224 4.857
243 HD2 HIS 35 HD2 HIS 35 6.249 0.286 2.693
244 HE1 HIS 35 HE1 HIS 35 8.332 -1.527 5.913
245 H THR 36 H THR 36 8.729 4.240 1.336
246 HA THR 36 HA THR 36 11.402 4.784 0.528
247 HB THR 36 HB THR 36 10.367 6.249 -1.190
248 HG1 THR 36 HG1 THR 36 8.170 5.893 0.482
249 HG21 THR 36 3HG2 THR 36 10.266 4.314 -2.294
250 HG22 THR 36 1HG2 THR 36 8.602 4.145 -1.737
251 HG23 THR 36 2HG2 THR 36 9.919 3.426 -0.811
252 H GLY 37 H GLY 37 12.691 6.482 0.935
253 HA2 GLY 37 1HA GLY 37 11.552 8.674 2.554
254 HA3 GLY 37 2HA GLY 37 13.209 8.104 2.686
255 H GLU 38 H GLU 38 13.314 10.604 2.449
256 HA GLU 38 HA GLU 38 13.855 11.149 -0.388
257 HB2 GLU 38 1HB GLU 38 11.713 12.245 0.737
258 HB3 GLU 38 2HB GLU 38 12.908 13.384 1.342
259 HG2 GLU 38 1HG GLU 38 12.039 14.299 -0.650
260 HG3 GLU 38 2HG GLU 38 13.657 13.710 -1.027
261 H LYS 39 H LYS 39 15.376 12.964 -0.708
262 HA LYS 39 HA LYS 39 17.621 13.480 -0.403
263 HB2 LYS 39 1HB LYS 39 17.696 15.061 1.717
264 HB3 LYS 39 2HB LYS 39 16.843 15.534 0.253
265 HG2 LYS 39 1HG LYS 39 15.296 16.042 1.863
266 HG3 LYS 39 2HG LYS 39 14.800 14.408 1.418
267 HD2 LYS 39 1HD LYS 39 14.789 14.443 3.773
268 HD3 LYS 39 2HD LYS 39 16.278 13.606 3.327
269 HE2 LYS 39 1HE LYS 39 17.560 15.628 3.697
270 HE3 LYS 39 2HE LYS 39 16.085 16.531 4.040
271 HZ1 LYS 39 3HZ LYS 39 17.474 15.670 5.994
272 HZ2 LYS 39 1HZ LYS 39 16.801 14.158 5.639
273 HZ3 LYS 39 2HZ LYS 39 15.797 15.455 6.054
274 HA PRO 40 HA PRO 40 18.271 10.304 3.040
275 HB2 PRO 40 1HB PRO 40 19.269 8.325 1.472
276 HB3 PRO 40 2HB PRO 40 17.545 8.495 1.824
277 HG2 PRO 40 1HG PRO 40 19.076 9.346 -0.604
278 HG3 PRO 40 2HG PRO 40 17.492 8.555 -0.500
279 HD2 PRO 40 1HD PRO 40 17.767 11.215 -0.924
280 HD3 PRO 40 2HD PRO 40 16.397 10.527 -0.028
281 H SER 41 H SER 41 20.373 9.331 3.641
282 HA SER 41 HA SER 41 22.449 11.008 3.791
283 HB2 SER 41 1HB SER 41 22.160 8.518 4.628
284 HB3 SER 41 2HB SER 41 23.168 8.159 3.226
285 HG SER 41 HG SER 41 24.472 10.038 4.238
286 H GLY 42 H GLY 42 23.098 12.267 2.131
287 HA2 GLY 42 1HA GLY 42 24.401 10.900 -0.121
288 HA3 GLY 42 2HA GLY 42 23.216 12.154 -0.458
289 HA PRO 43 HA PRO 43 27.612 13.856 0.246
290 HB2 PRO 43 1HB PRO 43 28.276 14.342 -2.341
291 HB3 PRO 43 2HB PRO 43 28.649 12.820 -1.523
292 HG2 PRO 43 1HG PRO 43 26.399 13.465 -3.389
293 HG3 PRO 43 2HG PRO 43 27.424 12.019 -3.330
294 HD2 PRO 43 1HD PRO 43 24.925 12.078 -2.287
295 HD3 PRO 43 2HD PRO 43 26.226 11.088 -1.594
296 H SER 44 H SER 44 26.771 15.721 1.105
297 HA SER 44 HA SER 44 24.954 17.483 0.191
298 HB2 SER 44 1HB SER 44 26.530 17.580 2.285
299 HB3 SER 44 2HB SER 44 27.515 18.622 1.260
300 HG SER 44 HG SER 44 25.592 19.906 0.958
301 H SER 45 H SER 45 24.828 19.215 -1.205
302 HA SER 45 HA SER 45 26.637 19.122 -3.458
303 HB2 SER 45 1HB SER 45 24.234 20.904 -2.984
304 HB3 SER 45 2HB SER 45 25.076 20.679 -4.517
305 HG SER 45 HG SER 45 23.673 19.135 -4.783
306 H GLY 46 H GLY 46 25.644 21.517 -1.027
307 HA2 GLY 46 1HA GLY 46 27.329 23.591 -1.967
308 HA3 GLY 46 2HA GLY 46 26.603 23.498 -0.370
Start of MODEL 10
1 H1 GLY 1 H GLY 1 7.176 -29.270 -6.025
2 HA2 GLY 1 1HA GLY 1 6.698 -30.488 -3.793
3 HA3 GLY 1 2HA GLY 1 8.341 -29.990 -3.422
4 H SER 2 H SER 2 5.514 -28.393 -4.898
5 HA SER 2 HA SER 2 5.722 -26.316 -2.826
6 HB2 SER 2 1HB SER 2 5.282 -24.587 -4.505
7 HB3 SER 2 2HB SER 2 6.748 -25.480 -4.909
8 HG SER 2 HG SER 2 4.218 -26.152 -5.983
9 H SER 3 H SER 3 3.970 -27.307 -1.753
10 HA SER 3 HA SER 3 1.375 -26.861 -3.073
11 HB2 SER 3 1HB SER 3 2.273 -29.208 -1.409
12 HB3 SER 3 2HB SER 3 0.565 -28.816 -1.607
13 HG SER 3 HG SER 3 0.662 -29.346 -3.690
14 H GLY 4 H GLY 4 2.636 -24.930 -1.526
15 HA2 GLY 4 1HA GLY 4 0.856 -23.800 0.047
16 HA3 GLY 4 2HA GLY 4 1.405 -25.074 1.126
17 H SER 5 H SER 5 1.606 -22.078 1.220
18 HA SER 5 HA SER 5 4.448 -21.995 1.909
19 HB2 SER 5 1HB SER 5 3.826 -20.961 -0.445
20 HB3 SER 5 2HB SER 5 3.298 -19.597 0.541
21 HG SER 5 HG SER 5 5.792 -20.672 1.128
22 H SER 6 H SER 6 4.943 -19.894 3.122
23 HA SER 6 HA SER 6 3.442 -19.778 5.444
24 HB2 SER 6 1HB SER 6 5.439 -17.919 4.197
25 HB3 SER 6 2HB SER 6 4.591 -17.433 5.665
26 HG SER 6 HG SER 6 5.493 -19.113 6.751
27 H GLY 7 H GLY 7 1.389 -19.195 5.672
28 HA2 GLY 7 1HA GLY 7 -0.497 -17.875 5.631
29 HA3 GLY 7 2HA GLY 7 0.492 -16.586 4.961
30 H THR 8 H THR 8 -2.239 -17.911 4.339
31 HA THR 8 HA THR 8 -2.052 -19.022 1.748
32 HB THR 8 HB THR 8 -4.490 -18.522 1.579
33 HG1 THR 8 HG1 THR 8 -5.200 -16.951 2.796
34 HG21 THR 8 3HG2 THR 8 -4.921 -19.721 3.974
35 HG22 THR 8 1HG2 THR 8 -3.206 -20.056 3.739
36 HG23 THR 8 2HG2 THR 8 -4.379 -20.568 2.526
37 H GLY 9 H GLY 9 -3.029 -15.755 2.810
38 HA2 GLY 9 1HA GLY 9 -2.149 -13.809 1.670
39 HA3 GLY 9 2HA GLY 9 -2.115 -14.755 0.190
40 H GLU 10 H GLU 10 -4.433 -13.616 2.646
41 HA GLU 10 HA GLU 10 -6.441 -13.357 0.517
42 HB2 GLU 10 1HB GLU 10 -6.684 -13.567 3.515
43 HB3 GLU 10 2HB GLU 10 -8.032 -13.093 2.491
44 HG2 GLU 10 1HG GLU 10 -8.187 -15.182 1.504
45 HG3 GLU 10 2HG GLU 10 -6.542 -15.626 1.954
46 H LYS 11 H LYS 11 -5.457 -11.398 -0.270
47 HA LYS 11 HA LYS 11 -6.603 -9.062 0.937
48 HB2 LYS 11 1HB LYS 11 -4.339 -7.869 1.005
49 HB3 LYS 11 2HB LYS 11 -4.699 -8.989 2.313
50 HG2 LYS 11 1HG LYS 11 -2.578 -9.640 1.841
51 HG3 LYS 11 2HG LYS 11 -3.448 -10.688 0.719
52 HD2 LYS 11 1HD LYS 11 -3.157 -8.632 -0.901
53 HD3 LYS 11 2HD LYS 11 -1.811 -8.256 0.177
54 HE2 LYS 11 1HE LYS 11 -0.664 -10.193 -0.374
55 HE3 LYS 11 2HE LYS 11 -2.119 -11.015 -0.934
56 HZ1 LYS 11 3HZ LYS 11 -1.220 -8.628 -2.378
57 HZ2 LYS 11 1HZ LYS 11 -2.031 -9.995 -2.956
58 HZ3 LYS 11 2HZ LYS 11 -0.376 -10.075 -2.617
59 HA PRO 12 HA PRO 12 -6.691 -7.971 -3.333
60 HB2 PRO 12 1HB PRO 12 -7.294 -5.338 -3.064
61 HB3 PRO 12 2HB PRO 12 -8.473 -6.626 -2.792
62 HG2 PRO 12 1HG PRO 12 -6.867 -5.076 -0.797
63 HG3 PRO 12 2HG PRO 12 -8.577 -5.541 -0.738
64 HD2 PRO 12 1HD PRO 12 -6.655 -6.882 0.618
65 HD3 PRO 12 2HD PRO 12 -8.100 -7.682 -0.031
66 H PHE 13 H PHE 13 -4.699 -6.209 -1.041
67 HA PHE 13 HA PHE 13 -2.720 -5.779 -3.149
68 HB2 PHE 13 1HB PHE 13 -3.405 -3.566 -1.218
69 HB3 PHE 13 2HB PHE 13 -2.400 -3.477 -2.661
70 HD1 PHE 13 HD1 PHE 13 -3.404 -3.399 -4.875
71 HD2 PHE 13 HD2 PHE 13 -5.799 -3.481 -1.358
72 HE1 PHE 13 HE1 PHE 13 -5.354 -2.676 -6.190
73 HE2 PHE 13 HE2 PHE 13 -7.753 -2.759 -2.667
74 HZ PHE 13 HZ PHE 13 -7.533 -2.357 -5.086
75 H GLU 14 H GLU 14 -0.568 -5.488 -2.373
76 HA GLU 14 HA GLU 14 -0.136 -6.007 0.475
77 HB2 GLU 14 1HB GLU 14 -0.138 -8.169 -0.886
78 HB3 GLU 14 2HB GLU 14 1.340 -7.576 -1.631
79 HG2 GLU 14 1HG GLU 14 2.453 -7.533 0.506
80 HG3 GLU 14 2HG GLU 14 0.962 -7.997 1.324
81 H CYS 15 H CYS 15 1.891 -5.349 1.264
82 HA CYS 15 HA CYS 15 3.007 -3.100 -0.074
83 HB2 CYS 15 1HB CYS 15 2.862 -3.732 2.497
84 HB3 CYS 15 2HB CYS 15 4.450 -4.423 2.180
85 H SER 16 H SER 16 5.530 -2.953 -0.140
86 HA SER 16 HA SER 16 6.481 -5.294 -1.654
87 HB2 SER 16 1HB SER 16 6.309 -3.366 -3.090
88 HB3 SER 16 2HB SER 16 7.180 -2.363 -1.930
89 HG SER 16 HG SER 16 9.003 -3.751 -2.284
90 H GLU 17 H GLU 17 7.224 -3.003 0.875
91 HA GLU 17 HA GLU 17 9.915 -4.012 1.239
92 HB2 GLU 17 1HB GLU 17 8.253 -1.906 2.587
93 HB3 GLU 17 2HB GLU 17 9.744 -2.475 3.325
94 HG2 GLU 17 1HG GLU 17 10.381 -0.582 2.140
95 HG3 GLU 17 2HG GLU 17 10.853 -1.921 1.095
96 H CYS 18 H CYS 18 7.126 -3.695 3.444
97 HA CYS 18 HA CYS 18 8.133 -5.951 4.997
98 HB2 CYS 18 1HB CYS 18 6.464 -5.310 6.659
99 HB3 CYS 18 2HB CYS 18 7.422 -3.911 6.185
100 H GLN 19 H GLN 19 6.059 -5.447 2.437
101 HA GLN 19 HA GLN 19 4.445 -6.683 1.416
102 HB2 GLN 19 1HB GLN 19 5.752 -8.864 3.047
103 HB3 GLN 19 2HB GLN 19 4.576 -9.154 1.772
104 HG2 GLN 19 1HG GLN 19 7.068 -7.600 1.219
105 HG3 GLN 19 2HG GLN 19 7.086 -9.362 1.240
106 HE21 GLN 19 1HE2 GLN 19 7.789 -8.237 -1.042
107 HE22 GLN 19 2HE2 GLN 19 6.542 -8.365 -2.231
108 H LYS 20 H LYS 20 3.538 -5.257 3.599
109 HA LYS 20 HA LYS 20 2.002 -6.897 5.369
110 HB2 LYS 20 1HB LYS 20 2.790 -4.642 5.995
111 HB3 LYS 20 2HB LYS 20 1.747 -3.945 4.762
112 HG2 LYS 20 1HG LYS 20 -0.157 -4.304 5.969
113 HG3 LYS 20 2HG LYS 20 0.516 -5.691 6.828
114 HD2 LYS 20 1HD LYS 20 1.560 -2.911 7.270
115 HD3 LYS 20 2HD LYS 20 0.152 -3.518 8.145
116 HE2 LYS 20 1HE LYS 20 2.630 -5.172 8.080
117 HE3 LYS 20 2HE LYS 20 2.584 -3.756 9.129
118 HZ1 LYS 20 3HZ LYS 20 0.206 -5.058 9.567
119 HZ2 LYS 20 1HZ LYS 20 1.550 -5.035 10.596
120 HZ3 LYS 20 2HZ LYS 20 1.356 -6.296 9.485
121 H ALA 21 H ALA 21 -0.344 -6.882 5.508
122 HA ALA 21 HA ALA 21 -1.555 -6.970 2.838
123 HB1 ALA 21 3HB ALA 21 -1.949 -8.465 5.341
124 HB2 ALA 21 1HB ALA 21 -3.418 -8.086 4.442
125 HB3 ALA 21 2HB ALA 21 -2.117 -8.987 3.665
126 H PHE 22 H PHE 22 -3.080 -5.570 2.226
127 HA PHE 22 HA PHE 22 -4.342 -3.892 4.291
128 HB2 PHE 22 1HB PHE 22 -3.197 -3.085 1.622
129 HB3 PHE 22 2HB PHE 22 -4.374 -2.088 2.471
130 HD1 PHE 22 HD2 PHE 22 -0.948 -3.367 2.480
131 HD2 PHE 22 HD1 PHE 22 -3.783 -0.904 4.484
132 HE1 PHE 22 HE2 PHE 22 0.868 -2.351 3.792
133 HE2 PHE 22 HE1 PHE 22 -1.971 0.118 5.798
134 HZ PHE 22 HZ PHE 22 0.358 -0.607 5.454
135 H ASN 23 H ASN 23 -6.279 -2.649 3.189
136 HA ASN 23 HA ASN 23 -7.924 -4.721 1.915
137 HB2 ASN 23 1HB ASN 23 -8.806 -3.898 4.027
138 HB3 ASN 23 2HB ASN 23 -8.722 -2.237 3.447
139 HD21 ASN 23 1HD2 ASN 23 -11.054 -3.301 4.425
140 HD22 ASN 23 2HD2 ASN 23 -12.195 -3.466 3.139
141 H THR 24 H THR 24 -7.325 -1.215 1.778
142 HA THR 24 HA THR 24 -8.241 -1.252 -1.023
143 HB THR 24 HB THR 24 -8.646 1.171 -0.788
144 HG1 THR 24 HG1 THR 24 -7.869 2.177 0.895
145 HG21 THR 24 3HG2 THR 24 -10.105 -0.939 0.494
146 HG22 THR 24 1HG2 THR 24 -10.717 0.508 -0.305
147 HG23 THR 24 2HG2 THR 24 -10.299 0.557 1.407
148 H LYS 25 H LYS 25 -7.050 -0.116 -2.589
149 HA LYS 25 HA LYS 25 -4.269 -0.317 -2.406
150 HB2 LYS 25 1HB LYS 25 -5.660 -0.238 -4.513
151 HB3 LYS 25 2HB LYS 25 -5.771 1.503 -4.289
152 HG2 LYS 25 1HG LYS 25 -3.546 1.845 -4.777
153 HG3 LYS 25 2HG LYS 25 -3.092 0.192 -4.356
154 HD2 LYS 25 1HD LYS 25 -3.736 -0.647 -6.388
155 HD3 LYS 25 2HD LYS 25 -4.958 0.602 -6.638
156 HE2 LYS 25 1HE LYS 25 -2.074 1.365 -6.595
157 HE3 LYS 25 2HE LYS 25 -2.738 0.596 -8.035
158 HZ1 LYS 25 3HZ LYS 25 -3.885 3.026 -6.775
159 HZ2 LYS 25 1HZ LYS 25 -4.332 2.338 -8.254
160 HZ3 LYS 25 2HZ LYS 25 -2.810 3.055 -8.081
161 H SER 26 H SER 26 -6.320 2.594 -2.310
162 HA SER 26 HA SER 26 -4.450 4.554 -2.036
163 HB2 SER 26 1HB SER 26 -7.084 4.310 -0.565
164 HB3 SER 26 2HB SER 26 -6.133 5.792 -0.660
165 HG SER 26 HG SER 26 -6.681 4.541 -3.071
166 H ASN 27 H ASN 27 -5.910 2.787 0.699
167 HA ASN 27 HA ASN 27 -4.415 3.882 2.744
168 HB2 ASN 27 1HB ASN 27 -5.780 1.253 2.359
169 HB3 ASN 27 2HB ASN 27 -4.730 1.457 3.759
170 HD21 ASN 27 1HD2 ASN 27 -5.141 3.557 4.977
171 HD22 ASN 27 2HD2 ASN 27 -6.798 3.956 5.259
172 H LEU 28 H LEU 28 -3.625 1.119 0.673
173 HA LEU 28 HA LEU 28 -1.255 0.344 1.941
174 HB2 LEU 28 1HB LEU 28 -2.136 -1.156 0.385
175 HB3 LEU 28 2HB LEU 28 -2.277 0.080 -0.863
176 HG LEU 28 HG LEU 28 0.211 0.100 -1.030
177 HD11 LEU 28 1HD1 LEU 28 1.198 -2.142 -0.102
178 HD12 LEU 28 2HD1 LEU 28 -0.114 -1.992 1.066
179 HD13 LEU 28 3HD1 LEU 28 1.091 -0.712 0.925
180 HD21 LEU 28 3HD2 LEU 28 -1.644 -1.730 -2.057
181 HD22 LEU 28 1HD2 LEU 28 -0.226 -2.680 -1.611
182 HD23 LEU 28 2HD2 LEU 28 -0.061 -1.316 -2.718
183 H ILE 29 H ILE 29 -1.660 2.409 -0.940
184 HA ILE 29 HA ILE 29 0.958 3.098 -1.387
185 HB ILE 29 HB ILE 29 -1.425 4.937 -1.641
186 HG12 ILE 29 1HG1 ILE 29 -0.165 3.316 -3.842
187 HG13 ILE 29 2HG1 ILE 29 -1.437 2.643 -2.827
188 HG21 ILE 29 1HG2 ILE 29 -0.155 6.389 -2.856
189 HG22 ILE 29 2HG2 ILE 29 1.081 5.776 -1.759
190 HG23 ILE 29 3HG2 ILE 29 0.960 5.135 -3.398
191 HD11 ILE 29 3HD1 ILE 29 -1.688 5.147 -4.475
192 HD12 ILE 29 1HD1 ILE 29 -2.278 3.553 -4.945
193 HD13 ILE 29 2HD1 ILE 29 -2.963 4.368 -3.538
194 H VAL 30 H VAL 30 -1.340 4.797 0.739
195 HA VAL 30 HA VAL 30 0.352 6.804 1.646
196 HB VAL 30 HB VAL 30 -1.875 5.409 3.136
197 HG11 VAL 30 1HG1 VAL 30 -0.777 6.473 4.854
198 HG12 VAL 30 2HG1 VAL 30 -0.184 7.772 3.817
199 HG13 VAL 30 3HG1 VAL 30 -1.876 7.743 4.316
200 HG21 VAL 30 3HG2 VAL 30 -3.216 6.489 1.730
201 HG22 VAL 30 1HG2 VAL 30 -2.590 8.013 2.359
202 HG23 VAL 30 2HG2 VAL 30 -1.838 7.265 0.950
203 H HIS 31 H HIS 31 0.234 3.437 2.483
204 HA HIS 31 HA HIS 31 1.833 3.733 4.869
205 HB2 HIS 31 1HB HIS 31 0.388 1.907 5.017
206 HB3 HIS 31 2HB HIS 31 0.694 1.405 3.357
207 HD1 HIS 31 HD1 HIS 31 2.338 1.384 6.761
208 HD2 HIS 31 HD2 HIS 31 2.675 -0.465 3.056
209 HE1 HIS 31 HE1 HIS 31 4.015 -0.461 7.081
210 H GLN 32 H GLN 32 2.338 2.126 1.722
211 HA GLN 32 HA GLN 32 4.875 1.306 1.823
212 HB2 GLN 32 1HB GLN 32 3.648 2.918 -0.418
213 HB3 GLN 32 2HB GLN 32 5.145 2.007 -0.564
214 HG2 GLN 32 1HG GLN 32 4.033 -0.054 -0.297
215 HG3 GLN 32 2HG GLN 32 2.552 0.732 0.248
216 HE21 GLN 32 1HE2 GLN 32 2.555 -1.124 -1.789
217 HE22 GLN 32 2HE2 GLN 32 2.160 -0.339 -3.276
218 H ARG 33 H ARG 33 3.893 4.684 1.595
219 HA ARG 33 HA ARG 33 6.380 5.854 1.149
220 HB2 ARG 33 1HB ARG 33 4.478 7.218 2.992
221 HB3 ARG 33 2HB ARG 33 5.369 7.862 1.620
222 HG2 ARG 33 1HG ARG 33 3.757 6.248 0.280
223 HG3 ARG 33 2HG ARG 33 2.745 6.486 1.706
224 HD2 ARG 33 1HD ARG 33 2.063 8.201 0.305
225 HD3 ARG 33 2HD ARG 33 3.242 8.997 1.346
226 HE ARG 33 HE ARG 33 4.293 7.940 -1.134
227 HH11 ARG 33 1HH1 ARG 33 2.953 10.689 0.531
228 HH12 ARG 33 2HH1 ARG 33 3.618 11.846 -0.574
229 HH21 ARG 33 1HH2 ARG 33 5.174 9.455 -2.595
230 HH22 ARG 33 2HH2 ARG 33 4.880 11.143 -2.352
231 H THR 34 H THR 34 4.780 5.072 4.224
232 HA THR 34 HA THR 34 6.478 6.109 6.064
233 HB THR 34 HB THR 34 4.416 4.519 6.360
234 HG1 THR 34 HG1 THR 34 6.618 4.967 8.044
235 HG21 THR 34 3HG2 THR 34 5.073 2.271 7.123
236 HG22 THR 34 1HG2 THR 34 6.732 2.598 6.626
237 HG23 THR 34 2HG2 THR 34 5.448 2.524 5.419
238 H HIS 35 H HIS 35 7.169 3.544 3.844
239 HA HIS 35 HA HIS 35 9.508 2.607 5.241
240 HB2 HIS 35 1HB HIS 35 8.377 2.043 2.501
241 HB3 HIS 35 2HB HIS 35 9.894 1.348 3.063
242 HD1 HIS 35 HD1 HIS 35 9.566 0.010 5.495
243 HD2 HIS 35 HD2 HIS 35 6.257 0.459 3.024
244 HE1 HIS 35 HE1 HIS 35 7.922 -1.736 6.249
245 H THR 36 H THR 36 8.845 4.612 2.397
246 HA THR 36 HA THR 36 11.696 5.290 2.235
247 HB THR 36 HB THR 36 10.669 4.543 0.138
248 HG1 THR 36 HG1 THR 36 12.051 5.916 -0.671
249 HG21 THR 36 3HG2 THR 36 8.412 5.757 0.930
250 HG22 THR 36 1HG2 THR 36 8.759 5.387 -0.758
251 HG23 THR 36 2HG2 THR 36 9.054 7.010 -0.132
252 H GLY 37 H GLY 37 11.599 6.665 4.117
253 HA2 GLY 37 1HA GLY 37 11.525 9.355 3.630
254 HA3 GLY 37 2HA GLY 37 9.888 8.970 4.139
255 H GLU 38 H GLU 38 12.891 9.928 5.182
256 HA GLU 38 HA GLU 38 12.128 9.887 7.917
257 HB2 GLU 38 1HB GLU 38 12.861 7.489 7.504
258 HB3 GLU 38 2HB GLU 38 14.482 8.121 7.258
259 HG2 GLU 38 1HG GLU 38 14.587 8.926 9.501
260 HG3 GLU 38 2HG GLU 38 12.885 8.553 9.768
261 H LYS 39 H LYS 39 13.892 10.743 9.336
262 HA LYS 39 HA LYS 39 15.513 12.659 7.808
263 HB2 LYS 39 1HB LYS 39 13.787 13.441 9.525
264 HB3 LYS 39 2HB LYS 39 14.880 12.812 10.751
265 HG2 LYS 39 1HG LYS 39 15.315 15.123 10.580
266 HG3 LYS 39 2HG LYS 39 16.656 14.304 9.777
267 HD2 LYS 39 1HD LYS 39 15.314 14.640 7.618
268 HD3 LYS 39 2HD LYS 39 14.357 15.795 8.548
269 HE2 LYS 39 1HE LYS 39 16.711 16.762 9.177
270 HE3 LYS 39 2HE LYS 39 17.217 15.930 7.707
271 HZ1 LYS 39 3HZ LYS 39 15.610 17.177 6.452
272 HZ2 LYS 39 1HZ LYS 39 16.583 18.255 7.321
273 HZ3 LYS 39 2HZ LYS 39 15.014 17.916 7.852
274 HA PRO 40 HA PRO 40 19.124 10.392 9.011
275 HB2 PRO 40 1HB PRO 40 20.950 12.234 8.207
276 HB3 PRO 40 2HB PRO 40 20.072 11.194 7.078
277 HG2 PRO 40 1HG PRO 40 19.537 14.039 7.841
278 HG3 PRO 40 2HG PRO 40 19.496 13.284 6.237
279 HD2 PRO 40 1HD PRO 40 17.254 13.783 7.670
280 HD3 PRO 40 2HD PRO 40 17.395 12.397 6.570
281 H SER 41 H SER 41 17.833 13.000 10.550
282 HA SER 41 HA SER 41 20.128 13.476 12.301
283 HB2 SER 41 1HB SER 41 17.420 14.832 12.271
284 HB3 SER 41 2HB SER 41 18.825 15.330 13.213
285 HG SER 41 HG SER 41 19.856 15.392 10.984
286 H GLY 42 H GLY 42 16.627 12.922 12.760
287 HA2 GLY 42 1HA GLY 42 16.018 10.896 14.068
288 HA3 GLY 42 2HA GLY 42 17.323 11.340 15.158
289 HA PRO 43 HA PRO 43 14.357 13.421 17.641
290 HB2 PRO 43 1HB PRO 43 16.011 15.104 18.983
291 HB3 PRO 43 2HB PRO 43 15.935 13.369 19.310
292 HG2 PRO 43 1HG PRO 43 17.913 14.902 17.668
293 HG3 PRO 43 2HG PRO 43 18.199 13.592 18.828
294 HD2 PRO 43 1HD PRO 43 18.167 13.186 16.151
295 HD3 PRO 43 2HD PRO 43 17.629 11.954 17.310
296 H SER 44 H SER 44 16.627 15.291 15.703
297 HA SER 44 HA SER 44 16.385 17.221 14.519
298 HB2 SER 44 1HB SER 44 14.045 16.082 14.122
299 HB3 SER 44 2HB SER 44 13.465 17.376 15.171
300 HG SER 44 HG SER 44 14.909 17.667 12.744
301 H SER 45 H SER 45 17.183 17.379 17.175
302 HA SER 45 HA SER 45 15.848 19.086 18.868
303 HB2 SER 45 1HB SER 45 17.916 19.477 19.951
304 HB3 SER 45 2HB SER 45 18.077 17.873 19.236
305 HG SER 45 HG SER 45 18.887 19.525 17.395
306 H GLY 46 H GLY 46 15.951 21.342 19.264
307 HA2 GLY 46 1HA GLY 46 15.397 23.037 17.226
308 HA3 GLY 46 2HA GLY 46 16.155 23.580 18.716
Start of MODEL 11
1 H1 GLY 1 H GLY 1 7.820 -34.407 6.515
2 HA2 GLY 1 1HA GLY 1 7.514 -32.176 7.030
3 HA3 GLY 1 2HA GLY 1 6.645 -32.179 5.503
4 H SER 2 H SER 2 6.416 -31.787 8.865
5 HA SER 2 HA SER 2 3.576 -32.260 9.050
6 HB2 SER 2 1HB SER 2 4.960 -32.684 11.005
7 HB3 SER 2 2HB SER 2 5.528 -31.015 11.001
8 HG SER 2 HG SER 2 3.023 -32.048 11.723
9 H SER 3 H SER 3 2.758 -30.845 7.454
10 HA SER 3 HA SER 3 3.085 -27.976 7.965
11 HB2 SER 3 1HB SER 3 2.360 -29.604 5.579
12 HB3 SER 3 2HB SER 3 1.657 -27.991 5.706
13 HG SER 3 HG SER 3 4.181 -27.708 6.311
14 H GLY 4 H GLY 4 1.029 -26.659 7.497
15 HA2 GLY 4 1HA GLY 4 -1.480 -27.923 8.118
16 HA3 GLY 4 2HA GLY 4 -0.829 -26.996 9.461
17 H SER 5 H SER 5 0.267 -24.826 8.211
18 HA SER 5 HA SER 5 -2.136 -23.412 7.385
19 HB2 SER 5 1HB SER 5 0.624 -22.538 8.218
20 HB3 SER 5 2HB SER 5 -0.514 -21.407 7.486
21 HG SER 5 HG SER 5 -1.722 -22.817 9.433
22 H SER 6 H SER 6 -2.632 -23.043 5.336
23 HA SER 6 HA SER 6 -0.523 -23.327 3.305
24 HB2 SER 6 1HB SER 6 -3.498 -23.787 3.225
25 HB3 SER 6 2HB SER 6 -2.567 -23.569 1.743
26 HG SER 6 HG SER 6 -1.510 -25.424 2.111
27 H GLY 7 H GLY 7 -3.322 -21.345 4.215
28 HA2 GLY 7 1HA GLY 7 -2.031 -18.955 3.312
29 HA3 GLY 7 2HA GLY 7 -3.311 -19.459 2.219
30 H THR 8 H THR 8 -2.662 -17.454 4.697
31 HA THR 8 HA THR 8 -5.195 -17.754 6.100
32 HB THR 8 HB THR 8 -4.364 -15.761 7.421
33 HG1 THR 8 HG1 THR 8 -2.792 -15.283 5.580
34 HG21 THR 8 3HG2 THR 8 -2.239 -17.818 7.609
35 HG22 THR 8 1HG2 THR 8 -3.904 -18.371 7.783
36 HG23 THR 8 2HG2 THR 8 -3.268 -17.134 8.867
37 H GLY 9 H GLY 9 -5.454 -17.115 3.369
38 HA2 GLY 9 1HA GLY 9 -6.984 -15.760 2.243
39 HA3 GLY 9 2HA GLY 9 -6.982 -14.660 3.614
40 H GLU 10 H GLU 10 -6.557 -14.447 0.562
41 HA GLU 10 HA GLU 10 -4.017 -12.964 0.650
42 HB2 GLU 10 1HB GLU 10 -4.527 -14.897 -1.057
43 HB3 GLU 10 2HB GLU 10 -5.412 -13.640 -1.909
44 HG2 GLU 10 1HG GLU 10 -3.429 -12.307 -2.118
45 HG3 GLU 10 2HG GLU 10 -2.519 -13.430 -1.110
46 H LYS 11 H LYS 11 -4.099 -10.823 0.625
47 HA LYS 11 HA LYS 11 -6.627 -9.478 0.197
48 HB2 LYS 11 1HB LYS 11 -3.970 -8.746 1.310
49 HB3 LYS 11 2HB LYS 11 -4.936 -7.446 0.626
50 HG2 LYS 11 1HG LYS 11 -5.521 -7.431 2.866
51 HG3 LYS 11 2HG LYS 11 -6.828 -8.349 2.114
52 HD2 LYS 11 1HD LYS 11 -4.468 -9.862 3.092
53 HD3 LYS 11 2HD LYS 11 -5.569 -9.195 4.300
54 HE2 LYS 11 1HE LYS 11 -7.447 -10.296 3.055
55 HE3 LYS 11 2HE LYS 11 -6.232 -11.099 2.061
56 HZ1 LYS 11 3HZ LYS 11 -7.121 -12.370 4.044
57 HZ2 LYS 11 1HZ LYS 11 -6.224 -11.311 5.012
58 HZ3 LYS 11 2HZ LYS 11 -5.438 -12.299 3.887
59 HA PRO 12 HA PRO 12 -5.997 -8.100 -3.921
60 HB2 PRO 12 1HB PRO 12 -7.057 -5.601 -3.844
61 HB3 PRO 12 2HB PRO 12 -8.044 -7.066 -3.777
62 HG2 PRO 12 1HG PRO 12 -7.136 -5.290 -1.545
63 HG3 PRO 12 2HG PRO 12 -8.727 -6.026 -1.812
64 HD2 PRO 12 1HD PRO 12 -6.922 -7.047 -0.070
65 HD3 PRO 12 2HD PRO 12 -8.062 -8.067 -0.971
66 H PHE 13 H PHE 13 -4.715 -6.186 -1.304
67 HA PHE 13 HA PHE 13 -2.601 -5.221 -3.101
68 HB2 PHE 13 1HB PHE 13 -3.852 -3.531 -0.930
69 HB3 PHE 13 2HB PHE 13 -2.622 -3.032 -2.086
70 HD1 PHE 13 HD1 PHE 13 -3.211 -2.755 -4.471
71 HD2 PHE 13 HD2 PHE 13 -6.152 -3.529 -1.493
72 HE1 PHE 13 HE1 PHE 13 -4.969 -1.991 -6.014
73 HE2 PHE 13 HE2 PHE 13 -7.915 -2.768 -3.032
74 HZ PHE 13 HZ PHE 13 -7.324 -1.998 -5.296
75 H GLU 14 H GLU 14 -0.581 -5.433 -2.326
76 HA GLU 14 HA GLU 14 -0.215 -5.937 0.542
77 HB2 GLU 14 1HB GLU 14 -0.324 -8.101 -0.737
78 HB3 GLU 14 2HB GLU 14 1.115 -7.589 -1.608
79 HG2 GLU 14 1HG GLU 14 2.472 -7.773 0.260
80 HG3 GLU 14 2HG GLU 14 1.111 -7.695 1.378
81 H CYS 15 H CYS 15 1.698 -5.206 1.403
82 HA CYS 15 HA CYS 15 3.009 -3.100 0.052
83 HB2 CYS 15 1HB CYS 15 2.735 -3.630 2.621
84 HB3 CYS 15 2HB CYS 15 4.273 -4.457 2.398
85 H SER 16 H SER 16 5.475 -3.018 -0.073
86 HA SER 16 HA SER 16 6.409 -5.479 -1.394
87 HB2 SER 16 1HB SER 16 6.275 -3.658 -2.966
88 HB3 SER 16 2HB SER 16 7.150 -2.585 -1.875
89 HG SER 16 HG SER 16 8.135 -4.844 -3.270
90 H GLU 17 H GLU 17 7.152 -3.041 0.987
91 HA GLU 17 HA GLU 17 9.854 -3.933 1.413
92 HB2 GLU 17 1HB GLU 17 8.048 -1.913 2.664
93 HB3 GLU 17 2HB GLU 17 9.444 -2.466 3.578
94 HG2 GLU 17 1HG GLU 17 9.440 -1.117 0.892
95 HG3 GLU 17 2HG GLU 17 10.040 -0.471 2.418
96 H CYS 18 H CYS 18 7.061 -3.814 3.631
97 HA CYS 18 HA CYS 18 8.193 -6.025 5.151
98 HB2 CYS 18 1HB CYS 18 6.465 -5.532 6.796
99 HB3 CYS 18 2HB CYS 18 7.305 -4.053 6.343
100 H GLN 19 H GLN 19 5.829 -5.472 2.743
101 HA GLN 19 HA GLN 19 4.445 -6.882 1.611
102 HB2 GLN 19 1HB GLN 19 5.588 -9.110 3.297
103 HB3 GLN 19 2HB GLN 19 4.784 -9.256 1.739
104 HG2 GLN 19 1HG GLN 19 6.763 -7.659 0.994
105 HG3 GLN 19 2HG GLN 19 7.549 -8.412 2.381
106 HE21 GLN 19 1HE2 GLN 19 6.514 -8.792 -0.851
107 HE22 GLN 19 2HE2 GLN 19 7.062 -10.414 -1.079
108 H LYS 20 H LYS 20 3.351 -5.486 3.671
109 HA LYS 20 HA LYS 20 1.838 -7.259 5.383
110 HB2 LYS 20 1HB LYS 20 2.676 -4.984 6.086
111 HB3 LYS 20 2HB LYS 20 1.474 -4.285 5.009
112 HG2 LYS 20 1HG LYS 20 -0.315 -5.157 6.298
113 HG3 LYS 20 2HG LYS 20 0.778 -6.166 7.248
114 HD2 LYS 20 1HD LYS 20 0.967 -3.163 7.208
115 HD3 LYS 20 2HD LYS 20 -0.057 -4.034 8.352
116 HE2 LYS 20 1HE LYS 20 2.890 -4.560 8.027
117 HE3 LYS 20 2HE LYS 20 2.234 -3.411 9.192
118 HZ1 LYS 20 3HZ LYS 20 2.684 -5.643 10.123
119 HZ2 LYS 20 1HZ LYS 20 1.497 -6.284 9.101
120 HZ3 LYS 20 2HZ LYS 20 1.071 -5.161 10.292
121 H ALA 21 H ALA 21 -0.482 -7.329 5.432
122 HA ALA 21 HA ALA 21 -1.623 -7.279 2.751
123 HB1 ALA 21 3HB ALA 21 -2.142 -8.747 5.230
124 HB2 ALA 21 1HB ALA 21 -3.596 -8.251 4.362
125 HB3 ALA 21 2HB ALA 21 -2.375 -9.232 3.550
126 H PHE 22 H PHE 22 -3.242 -5.962 2.093
127 HA PHE 22 HA PHE 22 -4.460 -4.161 4.067
128 HB2 PHE 22 1HB PHE 22 -3.018 -3.417 1.542
129 HB3 PHE 22 2HB PHE 22 -4.314 -2.395 2.154
130 HD1 PHE 22 HD2 PHE 22 -0.936 -3.664 2.772
131 HD2 PHE 22 HD1 PHE 22 -4.039 -1.102 4.160
132 HE1 PHE 22 HE2 PHE 22 0.651 -2.578 4.306
133 HE2 PHE 22 HE1 PHE 22 -2.456 -0.011 5.696
134 HZ PHE 22 HZ PHE 22 -0.108 -0.750 5.771
135 H ASN 23 H ASN 23 -6.373 -2.973 3.089
136 HA ASN 23 HA ASN 23 -7.904 -4.881 1.460
137 HB2 ASN 23 1HB ASN 23 -9.891 -4.022 2.466
138 HB3 ASN 23 2HB ASN 23 -8.734 -4.274 3.770
139 HD21 ASN 23 1HD2 ASN 23 -10.889 -2.148 2.421
140 HD22 ASN 23 2HD2 ASN 23 -10.360 -0.695 3.192
141 H THR 24 H THR 24 -7.253 -1.419 1.863
142 HA THR 24 HA THR 24 -8.255 -0.981 -0.873
143 HB THR 24 HB THR 24 -8.380 1.454 -0.178
144 HG1 THR 24 HG1 THR 24 -8.286 0.401 2.461
145 HG21 THR 24 3HG2 THR 24 -10.370 0.749 1.543
146 HG22 THR 24 1HG2 THR 24 -10.117 -0.760 0.667
147 HG23 THR 24 2HG2 THR 24 -10.509 0.717 -0.214
148 H LYS 25 H LYS 25 -7.039 0.246 -2.319
149 HA LYS 25 HA LYS 25 -4.237 -0.030 -2.136
150 HB2 LYS 25 1HB LYS 25 -5.714 0.155 -4.234
151 HB3 LYS 25 2HB LYS 25 -5.630 1.894 -3.986
152 HG2 LYS 25 1HG LYS 25 -3.261 1.894 -4.270
153 HG3 LYS 25 2HG LYS 25 -3.211 0.130 -4.277
154 HD2 LYS 25 1HD LYS 25 -3.033 0.852 -6.540
155 HD3 LYS 25 2HD LYS 25 -4.656 0.192 -6.329
156 HE2 LYS 25 1HE LYS 25 -5.166 2.125 -7.432
157 HE3 LYS 25 2HE LYS 25 -5.224 2.709 -5.770
158 HZ1 LYS 25 3HZ LYS 25 -3.756 4.227 -6.414
159 HZ2 LYS 25 1HZ LYS 25 -3.462 3.452 -7.889
160 HZ3 LYS 25 2HZ LYS 25 -2.607 2.990 -6.505
161 H SER 26 H SER 26 -6.231 2.931 -2.154
162 HA SER 26 HA SER 26 -4.378 4.853 -1.749
163 HB2 SER 26 1HB SER 26 -6.060 6.191 -0.694
164 HB3 SER 26 2HB SER 26 -6.889 5.152 -1.853
165 HG SER 26 HG SER 26 -6.918 5.096 0.938
166 H ASN 27 H ASN 27 -5.718 2.748 0.770
167 HA ASN 27 HA ASN 27 -4.343 3.904 2.938
168 HB2 ASN 27 1HB ASN 27 -5.613 1.220 2.473
169 HB3 ASN 27 2HB ASN 27 -4.720 1.543 3.956
170 HD21 ASN 27 1HD2 ASN 27 -7.018 0.989 4.671
171 HD22 ASN 27 2HD2 ASN 27 -8.075 2.334 4.913
172 H LEU 28 H LEU 28 -3.522 1.217 0.784
173 HA LEU 28 HA LEU 28 -1.165 0.418 2.088
174 HB2 LEU 28 1HB LEU 28 -2.183 -1.021 0.478
175 HB3 LEU 28 2HB LEU 28 -2.036 0.200 -0.785
176 HG LEU 28 HG LEU 28 0.420 -0.067 -0.710
177 HD11 LEU 28 1HD1 LEU 28 -0.298 -1.867 1.523
178 HD12 LEU 28 2HD1 LEU 28 1.125 -0.851 1.292
179 HD13 LEU 28 3HD1 LEU 28 1.000 -2.396 0.452
180 HD21 LEU 28 3HD2 LEU 28 -1.304 -1.503 -2.092
181 HD22 LEU 28 1HD2 LEU 28 -0.662 -2.811 -1.097
182 HD23 LEU 28 2HD2 LEU 28 0.422 -1.867 -2.120
183 H ILE 29 H ILE 29 -1.571 2.485 -0.790
184 HA ILE 29 HA ILE 29 0.995 3.174 -1.335
185 HB ILE 29 HB ILE 29 -1.341 5.088 -1.290
186 HG12 ILE 29 1HG1 ILE 29 -0.262 3.624 -3.687
187 HG13 ILE 29 2HG1 ILE 29 -1.475 2.889 -2.645
188 HG21 ILE 29 1HG2 ILE 29 1.394 5.256 -2.511
189 HG22 ILE 29 2HG2 ILE 29 0.035 6.177 -3.153
190 HG23 ILE 29 3HG2 ILE 29 0.564 6.430 -1.490
191 HD11 ILE 29 3HD1 ILE 29 -1.707 5.240 -4.458
192 HD12 ILE 29 1HD1 ILE 29 -2.762 3.837 -4.290
193 HD13 ILE 29 2HD1 ILE 29 -2.773 5.101 -3.060
194 H VAL 30 H VAL 30 -1.073 4.814 1.058
195 HA VAL 30 HA VAL 30 0.828 6.654 1.965
196 HB VAL 30 HB VAL 30 -1.437 5.407 3.529
197 HG11 VAL 30 1HG1 VAL 30 -0.932 6.733 5.248
198 HG12 VAL 30 2HG1 VAL 30 0.623 7.007 4.460
199 HG13 VAL 30 3HG1 VAL 30 -0.710 8.132 4.198
200 HG21 VAL 30 3HG2 VAL 30 -2.701 6.459 2.007
201 HG22 VAL 30 1HG2 VAL 30 -2.206 7.940 2.828
202 HG23 VAL 30 2HG2 VAL 30 -1.341 7.397 1.390
203 H HIS 31 H HIS 31 0.247 3.307 2.843
204 HA HIS 31 HA HIS 31 2.064 3.368 5.080
205 HB2 HIS 31 1HB HIS 31 0.329 1.810 5.345
206 HB3 HIS 31 2HB HIS 31 0.495 1.206 3.699
207 HD1 HIS 31 HD1 HIS 31 2.244 1.069 7.048
208 HD2 HIS 31 HD2 HIS 31 2.165 -0.949 3.417
209 HE1 HIS 31 HE1 HIS 31 3.641 -0.994 7.394
210 H GLN 32 H GLN 32 2.261 2.800 1.689
211 HA GLN 32 HA GLN 32 4.759 1.351 1.824
212 HB2 GLN 32 1HB GLN 32 3.178 2.479 -0.488
213 HB3 GLN 32 2HB GLN 32 4.701 1.622 -0.681
214 HG2 GLN 32 1HG GLN 32 3.553 -0.278 0.615
215 HG3 GLN 32 2HG GLN 32 2.056 0.572 0.236
216 HE21 GLN 32 1HE2 GLN 32 1.510 0.883 -1.987
217 HE22 GLN 32 2HE2 GLN 32 2.091 -0.216 -3.187
218 H ARG 33 H ARG 33 3.673 4.635 1.281
219 HA ARG 33 HA ARG 33 6.165 5.635 0.330
220 HB2 ARG 33 1HB ARG 33 5.186 7.852 0.716
221 HB3 ARG 33 2HB ARG 33 4.068 6.795 -0.137
222 HG2 ARG 33 1HG ARG 33 2.809 6.419 1.881
223 HG3 ARG 33 2HG ARG 33 3.981 7.346 2.821
224 HD2 ARG 33 1HD ARG 33 2.676 8.648 0.484
225 HD3 ARG 33 2HD ARG 33 1.737 8.432 1.960
226 HE ARG 33 HE ARG 33 3.712 10.384 1.518
227 HH11 ARG 33 1HH1 ARG 33 2.631 8.153 3.962
228 HH12 ARG 33 2HH1 ARG 33 3.193 9.124 5.282
229 HH21 ARG 33 1HH2 ARG 33 4.456 11.671 3.247
230 HH22 ARG 33 2HH2 ARG 33 4.230 11.126 4.874
231 H THR 34 H THR 34 4.567 5.645 3.499
232 HA THR 34 HA THR 34 6.418 7.142 4.924
233 HB THR 34 HB THR 34 4.252 6.438 5.857
234 HG1 THR 34 HG1 THR 34 6.302 5.405 7.525
235 HG21 THR 34 3HG2 THR 34 5.486 3.740 6.363
236 HG22 THR 34 1HG2 THR 34 4.465 4.063 4.962
237 HG23 THR 34 2HG2 THR 34 3.810 4.236 6.591
238 H HIS 35 H HIS 35 6.544 3.797 3.905
239 HA HIS 35 HA HIS 35 8.540 2.812 5.561
240 HB2 HIS 35 1HB HIS 35 7.568 2.157 2.827
241 HB3 HIS 35 2HB HIS 35 9.124 1.487 3.311
242 HD1 HIS 35 HD1 HIS 35 8.850 0.394 5.957
243 HD2 HIS 35 HD2 HIS 35 5.607 0.395 3.360
244 HE1 HIS 35 HE1 HIS 35 7.298 -1.387 6.819
245 H THR 36 H THR 36 9.022 4.070 2.255
246 HA THR 36 HA THR 36 10.950 4.775 1.216
247 HB THR 36 HB THR 36 12.063 6.672 2.659
248 HG1 THR 36 HG1 THR 36 9.545 6.624 3.934
249 HG21 THR 36 3HG2 THR 36 10.923 7.631 0.967
250 HG22 THR 36 1HG2 THR 36 9.704 7.952 2.199
251 HG23 THR 36 2HG2 THR 36 9.546 6.545 1.148
252 H GLY 37 H GLY 37 11.396 2.374 2.657
253 HA2 GLY 37 1HA GLY 37 14.006 2.764 3.937
254 HA3 GLY 37 2HA GLY 37 13.039 1.298 3.993
255 H GLU 38 H GLU 38 15.387 0.576 3.506
256 HA GLU 38 HA GLU 38 16.626 0.912 1.069
257 HB2 GLU 38 1HB GLU 38 17.560 -0.341 3.004
258 HB3 GLU 38 2HB GLU 38 16.476 -1.673 2.628
259 HG2 GLU 38 1HG GLU 38 17.665 -2.312 0.792
260 HG3 GLU 38 2HG GLU 38 18.275 -0.687 0.484
261 H LYS 39 H LYS 39 16.137 0.424 -0.963
262 HA LYS 39 HA LYS 39 13.794 -1.241 -1.484
263 HB2 LYS 39 1HB LYS 39 13.924 -0.329 -3.771
264 HB3 LYS 39 2HB LYS 39 13.839 0.940 -2.556
265 HG2 LYS 39 1HG LYS 39 15.496 1.804 -3.826
266 HG3 LYS 39 2HG LYS 39 16.485 0.782 -2.780
267 HD2 LYS 39 1HD LYS 39 16.709 -0.876 -4.428
268 HD3 LYS 39 2HD LYS 39 15.373 -0.228 -5.382
269 HE2 LYS 39 1HE LYS 39 16.686 1.726 -5.949
270 HE3 LYS 39 2HE LYS 39 18.002 1.175 -4.914
271 HZ1 LYS 39 3HZ LYS 39 17.155 0.168 -7.535
272 HZ2 LYS 39 1HZ LYS 39 17.862 -0.915 -6.444
273 HZ3 LYS 39 2HZ LYS 39 18.714 0.457 -6.946
274 HA PRO 40 HA PRO 40 16.177 -4.713 -2.774
275 HB2 PRO 40 1HB PRO 40 14.335 -5.924 -4.358
276 HB3 PRO 40 2HB PRO 40 14.232 -5.923 -2.594
277 HG2 PRO 40 1HG PRO 40 12.813 -4.185 -4.575
278 HG3 PRO 40 2HG PRO 40 12.176 -4.973 -3.120
279 HD2 PRO 40 1HD PRO 40 12.851 -2.352 -3.179
280 HD3 PRO 40 2HD PRO 40 13.016 -3.348 -1.719
281 H SER 41 H SER 41 17.836 -4.228 -4.107
282 HA SER 41 HA SER 41 17.775 -2.822 -6.480
283 HB2 SER 41 1HB SER 41 19.880 -3.276 -5.409
284 HB3 SER 41 2HB SER 41 19.657 -5.016 -5.589
285 HG SER 41 HG SER 41 20.267 -4.896 -7.617
286 H GLY 42 H GLY 42 17.375 -3.274 -8.585
287 HA2 GLY 42 1HA GLY 42 17.100 -6.005 -9.505
288 HA3 GLY 42 2HA GLY 42 15.590 -5.110 -9.430
289 HA PRO 43 HA PRO 43 17.189 -4.386 -13.652
290 HB2 PRO 43 1HB PRO 43 14.724 -4.215 -14.778
291 HB3 PRO 43 2HB PRO 43 15.541 -5.754 -14.484
292 HG2 PRO 43 1HG PRO 43 13.417 -4.399 -12.868
293 HG3 PRO 43 2HG PRO 43 13.569 -6.111 -13.305
294 HD2 PRO 43 1HD PRO 43 14.279 -5.160 -10.871
295 HD3 PRO 43 2HD PRO 43 15.107 -6.529 -11.640
296 H SER 44 H SER 44 15.771 -2.544 -11.323
297 HA SER 44 HA SER 44 14.781 -0.328 -12.778
298 HB2 SER 44 1HB SER 44 14.412 -0.896 -10.300
299 HB3 SER 44 2HB SER 44 15.987 -0.154 -10.019
300 HG SER 44 HG SER 44 13.979 1.206 -9.885
301 H SER 45 H SER 45 15.942 0.868 -14.124
302 HA SER 45 HA SER 45 18.753 1.429 -13.448
303 HB2 SER 45 1HB SER 45 18.007 0.203 -15.667
304 HB3 SER 45 2HB SER 45 17.677 1.849 -16.208
305 HG SER 45 HG SER 45 19.873 0.940 -16.577
306 H GLY 46 H GLY 46 18.459 3.261 -12.207
307 HA2 GLY 46 1HA GLY 46 17.378 5.593 -13.666
308 HA3 GLY 46 2HA GLY 46 17.073 5.344 -11.954
Start of MODEL 12
1 H1 GLY 1 H GLY 1 10.894 -25.693 14.741
2 HA2 GLY 1 1HA GLY 1 9.288 -26.657 12.454
3 HA3 GLY 1 2HA GLY 1 9.690 -27.668 13.833
4 H SER 2 H SER 2 7.565 -25.281 12.566
5 HA SER 2 HA SER 2 5.848 -25.598 14.916
6 HB2 SER 2 1HB SER 2 7.163 -23.455 15.129
7 HB3 SER 2 2HB SER 2 6.356 -22.891 13.666
8 HG SER 2 HG SER 2 4.375 -23.592 15.026
9 H SER 3 H SER 3 3.675 -25.587 14.481
10 HA SER 3 HA SER 3 2.961 -25.564 11.631
11 HB2 SER 3 1HB SER 3 1.868 -27.011 14.019
12 HB3 SER 3 2HB SER 3 0.834 -26.737 12.618
13 HG SER 3 HG SER 3 2.950 -27.626 11.537
14 H GLY 4 H GLY 4 2.142 -23.682 10.985
15 HA2 GLY 4 1HA GLY 4 -0.225 -22.629 12.191
16 HA3 GLY 4 2HA GLY 4 1.174 -21.622 12.535
17 H SER 5 H SER 5 -0.331 -23.270 9.753
18 HA SER 5 HA SER 5 0.704 -21.998 7.641
19 HB2 SER 5 1HB SER 5 -1.105 -23.617 7.409
20 HB3 SER 5 2HB SER 5 -2.254 -22.466 8.090
21 HG SER 5 HG SER 5 -1.392 -21.101 6.208
22 H SER 6 H SER 6 1.231 -19.948 7.320
23 HA SER 6 HA SER 6 -0.250 -17.809 8.593
24 HB2 SER 6 1HB SER 6 1.509 -16.347 7.667
25 HB3 SER 6 2HB SER 6 2.199 -17.710 8.547
26 HG SER 6 HG SER 6 3.280 -17.996 6.765
27 H GLY 7 H GLY 7 0.631 -18.704 5.256
28 HA2 GLY 7 1HA GLY 7 -0.969 -18.637 3.475
29 HA3 GLY 7 2HA GLY 7 -1.840 -17.389 4.353
30 H THR 8 H THR 8 -0.749 -17.509 1.574
31 HA THR 8 HA THR 8 1.374 -15.553 1.529
32 HB THR 8 HB THR 8 -0.261 -16.477 -0.832
33 HG1 THR 8 HG1 THR 8 0.648 -18.362 -0.583
34 HG21 THR 8 3HG2 THR 8 1.367 -15.582 -2.155
35 HG22 THR 8 1HG2 THR 8 2.639 -15.860 -0.967
36 HG23 THR 8 2HG2 THR 8 1.531 -14.503 -0.770
37 H GLY 9 H GLY 9 -0.843 -14.562 2.898
38 HA2 GLY 9 1HA GLY 9 -2.147 -12.678 3.026
39 HA3 GLY 9 2HA GLY 9 -1.198 -12.061 1.682
40 H GLU 10 H GLU 10 -4.252 -12.809 2.658
41 HA GLU 10 HA GLU 10 -5.181 -13.522 -0.032
42 HB2 GLU 10 1HB GLU 10 -6.277 -13.868 2.713
43 HB3 GLU 10 2HB GLU 10 -7.429 -13.652 1.403
44 HG2 GLU 10 1HG GLU 10 -6.754 -15.608 0.325
45 HG3 GLU 10 2HG GLU 10 -5.248 -15.697 1.238
46 H LYS 11 H LYS 11 -4.256 -10.935 0.239
47 HA LYS 11 HA LYS 11 -6.753 -9.371 0.146
48 HB2 LYS 11 1HB LYS 11 -4.026 -8.612 1.171
49 HB3 LYS 11 2HB LYS 11 -5.199 -7.394 0.688
50 HG2 LYS 11 1HG LYS 11 -5.602 -9.476 2.826
51 HG3 LYS 11 2HG LYS 11 -5.238 -7.769 3.092
52 HD2 LYS 11 1HD LYS 11 -7.348 -7.256 1.788
53 HD3 LYS 11 2HD LYS 11 -7.728 -8.976 1.904
54 HE2 LYS 11 1HE LYS 11 -7.637 -8.820 4.349
55 HE3 LYS 11 2HE LYS 11 -7.270 -7.100 4.223
56 HZ1 LYS 11 3HZ LYS 11 -9.735 -8.084 4.502
57 HZ2 LYS 11 1HZ LYS 11 -9.651 -7.964 2.817
58 HZ3 LYS 11 2HZ LYS 11 -9.396 -6.594 3.776
59 HA PRO 12 HA PRO 12 -5.802 -8.326 -4.012
60 HB2 PRO 12 1HB PRO 12 -6.908 -5.852 -4.180
61 HB3 PRO 12 2HB PRO 12 -7.872 -7.332 -4.103
62 HG2 PRO 12 1HG PRO 12 -7.186 -5.402 -1.919
63 HG3 PRO 12 2HG PRO 12 -8.735 -6.190 -2.270
64 HD2 PRO 12 1HD PRO 12 -7.066 -7.061 -0.324
65 HD3 PRO 12 2HD PRO 12 -8.108 -8.160 -1.251
66 H PHE 13 H PHE 13 -4.853 -6.127 -1.453
67 HA PHE 13 HA PHE 13 -2.647 -5.178 -3.159
68 HB2 PHE 13 1HB PHE 13 -3.930 -3.556 -0.960
69 HB3 PHE 13 2HB PHE 13 -2.764 -3.008 -2.160
70 HD1 PHE 13 HD1 PHE 13 -3.498 -3.059 -4.615
71 HD2 PHE 13 HD2 PHE 13 -6.205 -3.321 -1.340
72 HE1 PHE 13 HE1 PHE 13 -5.341 -2.356 -6.086
73 HE2 PHE 13 HE2 PHE 13 -8.052 -2.620 -2.806
74 HZ PHE 13 HZ PHE 13 -7.622 -2.137 -5.182
75 H GLU 14 H GLU 14 -0.638 -5.359 -2.350
76 HA GLU 14 HA GLU 14 -0.302 -5.876 0.516
77 HB2 GLU 14 1HB GLU 14 -0.386 -8.057 -0.667
78 HB3 GLU 14 2HB GLU 14 0.977 -7.548 -1.653
79 HG2 GLU 14 1HG GLU 14 2.472 -7.689 0.098
80 HG3 GLU 14 2HG GLU 14 1.211 -7.547 1.321
81 H CYS 15 H CYS 15 1.657 -5.215 1.381
82 HA CYS 15 HA CYS 15 2.931 -3.046 0.121
83 HB2 CYS 15 1HB CYS 15 2.773 -3.790 2.659
84 HB3 CYS 15 2HB CYS 15 4.320 -4.548 2.296
85 H SER 16 H SER 16 5.462 -3.019 0.048
86 HA SER 16 HA SER 16 6.329 -5.380 -1.490
87 HB2 SER 16 1HB SER 16 5.952 -3.069 -2.676
88 HB3 SER 16 2HB SER 16 7.510 -2.664 -1.957
89 HG SER 16 HG SER 16 7.829 -3.548 -4.002
90 H GLU 17 H GLU 17 7.023 -3.166 1.054
91 HA GLU 17 HA GLU 17 9.791 -4.060 1.290
92 HB2 GLU 17 1HB GLU 17 8.163 -1.935 2.659
93 HB3 GLU 17 2HB GLU 17 9.716 -2.446 3.304
94 HG2 GLU 17 1HG GLU 17 9.780 -0.412 1.859
95 HG3 GLU 17 2HG GLU 17 10.865 -1.712 1.369
96 H CYS 18 H CYS 18 7.082 -3.684 3.584
97 HA CYS 18 HA CYS 18 8.180 -5.794 5.246
98 HB2 CYS 18 1HB CYS 18 6.541 -5.159 6.870
99 HB3 CYS 18 2HB CYS 18 7.196 -3.675 6.187
100 H GLN 19 H GLN 19 5.931 -5.496 2.719
101 HA GLN 19 HA GLN 19 4.511 -6.961 1.714
102 HB2 GLN 19 1HB GLN 19 6.152 -8.843 3.389
103 HB3 GLN 19 2HB GLN 19 4.828 -9.428 2.391
104 HG2 GLN 19 1HG GLN 19 7.271 -7.953 1.438
105 HG3 GLN 19 2HG GLN 19 6.928 -9.669 1.230
106 HE21 GLN 19 1HE2 GLN 19 4.446 -9.820 0.371
107 HE22 GLN 19 2HE2 GLN 19 4.218 -8.951 -1.105
108 H LYS 20 H LYS 20 3.229 -5.533 3.490
109 HA LYS 20 HA LYS 20 1.798 -7.322 5.312
110 HB2 LYS 20 1HB LYS 20 2.662 -5.146 6.159
111 HB3 LYS 20 2HB LYS 20 1.594 -4.318 5.033
112 HG2 LYS 20 1HG LYS 20 0.249 -4.244 6.838
113 HG3 LYS 20 2HG LYS 20 -0.205 -5.856 6.279
114 HD2 LYS 20 1HD LYS 20 1.946 -5.289 8.318
115 HD3 LYS 20 2HD LYS 20 0.288 -5.751 8.711
116 HE2 LYS 20 1HE LYS 20 1.228 -7.816 8.754
117 HE3 LYS 20 2HE LYS 20 0.872 -7.732 7.029
118 HZ1 LYS 20 3HZ LYS 20 3.019 -7.942 6.601
119 HZ2 LYS 20 1HZ LYS 20 3.354 -8.064 8.255
120 HZ3 LYS 20 2HZ LYS 20 3.375 -6.552 7.497
121 H ALA 21 H ALA 21 -0.478 -7.478 5.304
122 HA ALA 21 HA ALA 21 -1.638 -7.199 2.649
123 HB1 ALA 21 3HB ALA 21 -1.888 -9.329 3.810
124 HB2 ALA 21 1HB ALA 21 -2.738 -8.520 5.127
125 HB3 ALA 21 2HB ALA 21 -3.458 -8.579 3.518
126 H PHE 22 H PHE 22 -3.334 -5.899 2.126
127 HA PHE 22 HA PHE 22 -4.509 -4.246 4.250
128 HB2 PHE 22 1HB PHE 22 -3.213 -3.312 1.703
129 HB3 PHE 22 2HB PHE 22 -4.460 -2.348 2.489
130 HD1 PHE 22 HD1 PHE 22 -4.058 -1.325 4.660
131 HD2 PHE 22 HD2 PHE 22 -1.026 -3.543 2.660
132 HE1 PHE 22 HE1 PHE 22 -2.365 -0.355 6.159
133 HE2 PHE 22 HE2 PHE 22 0.672 -2.577 4.156
134 HZ PHE 22 HZ PHE 22 0.003 -0.982 5.909
135 H ASN 23 H ASN 23 -6.393 -2.893 3.202
136 HA ASN 23 HA ASN 23 -8.042 -4.825 1.728
137 HB2 ASN 23 1HB ASN 23 -8.831 -4.023 3.973
138 HB3 ASN 23 2HB ASN 23 -8.967 -2.405 3.289
139 HD21 ASN 23 1HD2 ASN 23 -10.266 -2.359 1.188
140 HD22 ASN 23 2HD2 ASN 23 -11.742 -3.256 1.199
141 H THR 24 H THR 24 -7.323 -1.345 1.885
142 HA THR 24 HA THR 24 -8.210 -1.118 -0.916
143 HB THR 24 HB THR 24 -8.436 1.341 -0.431
144 HG1 THR 24 HG1 THR 24 -8.656 0.856 2.285
145 HG21 THR 24 3HG2 THR 24 -10.174 -0.328 1.374
146 HG22 THR 24 1HG2 THR 24 -10.326 -0.355 -0.382
147 HG23 THR 24 2HG2 THR 24 -10.602 1.145 0.505
148 H LYS 25 H LYS 25 -6.951 0.067 -2.376
149 HA LYS 25 HA LYS 25 -4.153 -0.165 -2.043
150 HB2 LYS 25 1HB LYS 25 -5.054 -0.303 -4.252
151 HB3 LYS 25 2HB LYS 25 -5.841 1.263 -4.097
152 HG2 LYS 25 1HG LYS 25 -3.892 2.430 -4.426
153 HG3 LYS 25 2HG LYS 25 -2.875 1.101 -3.866
154 HD2 LYS 25 1HD LYS 25 -4.494 0.687 -6.326
155 HD3 LYS 25 2HD LYS 25 -3.072 1.726 -6.433
156 HE2 LYS 25 1HE LYS 25 -1.664 -0.052 -5.602
157 HE3 LYS 25 2HE LYS 25 -3.068 -1.085 -5.341
158 HZ1 LYS 25 3HZ LYS 25 -2.938 -0.135 -8.026
159 HZ2 LYS 25 1HZ LYS 25 -3.038 -1.724 -7.452
160 HZ3 LYS 25 2HZ LYS 25 -1.530 -0.972 -7.602
161 H SER 26 H SER 26 -6.282 2.687 -2.152
162 HA SER 26 HA SER 26 -4.492 4.718 -1.887
163 HB2 SER 26 1HB SER 26 -7.082 4.532 -0.331
164 HB3 SER 26 2HB SER 26 -6.232 6.008 -0.786
165 HG SER 26 HG SER 26 -6.550 5.250 -3.019
166 H ASN 27 H ASN 27 -5.761 2.701 0.742
167 HA ASN 27 HA ASN 27 -4.404 4.013 2.835
168 HB2 ASN 27 1HB ASN 27 -5.733 1.357 2.508
169 HB3 ASN 27 2HB ASN 27 -4.706 1.613 3.915
170 HD21 ASN 27 1HD2 ASN 27 -7.050 3.595 2.130
171 HD22 ASN 27 2HD2 ASN 27 -7.981 4.040 3.515
172 H LEU 28 H LEU 28 -3.541 1.233 0.823
173 HA LEU 28 HA LEU 28 -1.183 0.512 2.156
174 HB2 LEU 28 1HB LEU 28 -2.104 -1.008 0.600
175 HB3 LEU 28 2HB LEU 28 -2.086 0.190 -0.692
176 HG LEU 28 HG LEU 28 0.405 0.086 -0.664
177 HD11 LEU 28 1HD1 LEU 28 0.285 -0.946 1.750
178 HD12 LEU 28 2HD1 LEU 28 1.595 -1.362 0.645
179 HD13 LEU 28 3HD1 LEU 28 0.236 -2.466 0.856
180 HD21 LEU 28 3HD2 LEU 28 -1.406 -1.560 -1.890
181 HD22 LEU 28 1HD2 LEU 28 -0.298 -2.709 -1.141
182 HD23 LEU 28 2HD2 LEU 28 0.319 -1.487 -2.253
183 H ILE 29 H ILE 29 -1.560 2.467 -0.805
184 HA ILE 29 HA ILE 29 0.968 3.186 -1.373
185 HB ILE 29 HB ILE 29 -1.366 5.102 -1.270
186 HG12 ILE 29 1HG1 ILE 29 -0.294 3.555 -3.633
187 HG13 ILE 29 2HG1 ILE 29 -1.625 2.981 -2.634
188 HG21 ILE 29 1HG2 ILE 29 -0.135 6.413 -2.918
189 HG22 ILE 29 2HG2 ILE 29 0.775 6.269 -1.415
190 HG23 ILE 29 3HG2 ILE 29 1.219 5.289 -2.812
191 HD11 ILE 29 3HD1 ILE 29 -1.706 5.665 -3.958
192 HD12 ILE 29 1HD1 ILE 29 -2.188 4.194 -4.803
193 HD13 ILE 29 2HD1 ILE 29 -3.041 4.691 -3.342
194 H VAL 30 H VAL 30 -1.039 4.922 1.012
195 HA VAL 30 HA VAL 30 0.954 6.678 1.899
196 HB VAL 30 HB VAL 30 -1.428 5.598 3.412
197 HG11 VAL 30 1HG1 VAL 30 0.205 8.066 3.993
198 HG12 VAL 30 2HG1 VAL 30 -1.169 7.456 4.918
199 HG13 VAL 30 3HG1 VAL 30 0.341 6.545 4.874
200 HG21 VAL 30 3HG2 VAL 30 -2.700 7.242 2.485
201 HG22 VAL 30 1HG2 VAL 30 -1.336 8.345 2.301
202 HG23 VAL 30 2HG2 VAL 30 -1.556 7.018 1.161
203 H HIS 31 H HIS 31 0.213 3.376 2.789
204 HA HIS 31 HA HIS 31 1.946 3.368 5.089
205 HB2 HIS 31 1HB HIS 31 0.159 1.853 5.260
206 HB3 HIS 31 2HB HIS 31 0.390 1.255 3.620
207 HD1 HIS 31 HD1 HIS 31 1.760 0.929 7.097
208 HD2 HIS 31 HD2 HIS 31 2.235 -0.807 3.353
209 HE1 HIS 31 HE1 HIS 31 3.145 -1.134 7.483
210 H GLN 32 H GLN 32 2.329 2.978 1.720
211 HA GLN 32 HA GLN 32 4.754 1.399 1.923
212 HB2 GLN 32 1HB GLN 32 3.112 2.493 -0.324
213 HB3 GLN 32 2HB GLN 32 4.780 2.030 -0.632
214 HG2 GLN 32 1HG GLN 32 4.009 -0.179 0.600
215 HG3 GLN 32 2HG GLN 32 2.430 0.348 0.021
216 HE21 GLN 32 1HE2 GLN 32 1.878 -0.456 -1.861
217 HE22 GLN 32 2HE2 GLN 32 2.952 -0.918 -3.133
218 H ARG 33 H ARG 33 3.814 4.717 1.136
219 HA ARG 33 HA ARG 33 6.331 5.688 0.403
220 HB2 ARG 33 1HB ARG 33 5.396 7.928 1.120
221 HB3 ARG 33 2HB ARG 33 4.438 7.041 -0.059
222 HG2 ARG 33 1HG ARG 33 2.932 6.301 1.709
223 HG3 ARG 33 2HG ARG 33 3.900 7.170 2.901
224 HD2 ARG 33 1HD ARG 33 2.190 8.666 2.472
225 HD3 ARG 33 2HD ARG 33 3.459 9.226 1.384
226 HE ARG 33 HE ARG 33 1.583 7.351 0.231
227 HH11 ARG 33 1HH1 ARG 33 2.401 10.690 0.779
228 HH12 ARG 33 2HH1 ARG 33 1.443 11.277 -0.540
229 HH21 ARG 33 1HH2 ARG 33 0.318 8.111 -1.508
230 HH22 ARG 33 2HH2 ARG 33 0.258 9.809 -1.840
231 H THR 34 H THR 34 4.745 5.619 3.580
232 HA THR 34 HA THR 34 6.579 6.973 5.106
233 HB THR 34 HB THR 34 4.446 6.060 5.977
234 HG1 THR 34 HG1 THR 34 6.903 5.695 7.291
235 HG21 THR 34 3HG2 THR 34 4.100 3.815 6.452
236 HG22 THR 34 1HG2 THR 34 5.822 3.440 6.435
237 HG23 THR 34 2HG2 THR 34 4.970 3.739 4.921
238 H HIS 35 H HIS 35 6.725 3.607 4.032
239 HA HIS 35 HA HIS 35 8.911 2.741 5.506
240 HB2 HIS 35 1HB HIS 35 7.879 1.989 2.782
241 HB3 HIS 35 2HB HIS 35 9.316 1.224 3.453
242 HD1 HIS 35 HD1 HIS 35 8.527 0.679 6.296
243 HD2 HIS 35 HD2 HIS 35 5.911 0.167 3.109
244 HE1 HIS 35 HE1 HIS 35 6.791 -0.951 7.106
245 H THR 36 H THR 36 9.036 3.821 2.106
246 HA THR 36 HA THR 36 11.848 4.082 2.066
247 HB THR 36 HB THR 36 10.183 5.725 0.215
248 HG1 THR 36 HG1 THR 36 10.081 3.495 -0.943
249 HG21 THR 36 3HG2 THR 36 12.631 5.599 -0.025
250 HG22 THR 36 1HG2 THR 36 11.797 4.923 -1.424
251 HG23 THR 36 2HG2 THR 36 12.512 3.851 -0.220
252 H GLY 37 H GLY 37 9.321 6.610 2.078
253 HA2 GLY 37 1HA GLY 37 11.096 8.765 2.442
254 HA3 GLY 37 2HA GLY 37 9.374 8.792 2.789
255 H GLU 38 H GLU 38 11.506 10.065 4.275
256 HA GLU 38 HA GLU 38 12.285 10.331 6.403
257 HB2 GLU 38 1HB GLU 38 9.534 9.192 6.780
258 HB3 GLU 38 2HB GLU 38 10.544 9.551 8.174
259 HG2 GLU 38 1HG GLU 38 10.779 11.886 7.237
260 HG3 GLU 38 2HG GLU 38 9.495 11.457 6.108
261 H LYS 39 H LYS 39 13.353 8.089 5.160
262 HA LYS 39 HA LYS 39 13.169 5.685 6.562
263 HB2 LYS 39 1HB LYS 39 15.375 5.158 5.604
264 HB3 LYS 39 2HB LYS 39 14.287 5.846 4.406
265 HG2 LYS 39 1HG LYS 39 16.159 7.030 3.923
266 HG3 LYS 39 2HG LYS 39 15.471 8.091 5.154
267 HD2 LYS 39 1HD LYS 39 16.871 6.902 6.849
268 HD3 LYS 39 2HD LYS 39 17.645 6.032 5.522
269 HE2 LYS 39 1HE LYS 39 18.690 7.934 4.715
270 HE3 LYS 39 2HE LYS 39 17.536 9.019 5.489
271 HZ1 LYS 39 3HZ LYS 39 19.830 8.889 6.503
272 HZ2 LYS 39 1HZ LYS 39 19.409 7.345 7.052
273 HZ3 LYS 39 2HZ LYS 39 18.531 8.694 7.569
274 HA PRO 40 HA PRO 40 15.095 6.502 10.434
275 HB2 PRO 40 1HB PRO 40 15.879 3.981 11.070
276 HB3 PRO 40 2HB PRO 40 14.193 4.508 11.135
277 HG2 PRO 40 1HG PRO 40 15.614 2.964 9.000
278 HG3 PRO 40 2HG PRO 40 13.998 2.703 9.682
279 HD2 PRO 40 1HD PRO 40 14.396 3.945 7.308
280 HD3 PRO 40 2HD PRO 40 13.049 4.358 8.388
281 H SER 41 H SER 41 17.161 6.340 11.556
282 HA SER 41 HA SER 41 19.361 6.755 9.768
283 HB2 SER 41 1HB SER 41 20.636 7.303 11.755
284 HB3 SER 41 2HB SER 41 19.041 8.046 11.882
285 HG SER 41 HG SER 41 18.550 5.940 13.055
286 H GLY 42 H GLY 42 20.452 5.141 8.868
287 HA2 GLY 42 1HA GLY 42 20.953 2.726 10.498
288 HA3 GLY 42 2HA GLY 42 20.633 2.659 8.771
289 HA PRO 43 HA PRO 43 25.018 4.652 9.261
290 HB2 PRO 43 1HB PRO 43 26.104 4.583 11.749
291 HB3 PRO 43 2HB PRO 43 25.129 5.937 11.163
292 HG2 PRO 43 1HG PRO 43 24.329 3.645 12.915
293 HG3 PRO 43 2HG PRO 43 23.925 5.365 13.069
294 HD2 PRO 43 1HD PRO 43 22.204 3.551 12.030
295 HD3 PRO 43 2HD PRO 43 22.251 5.241 11.489
296 H SER 44 H SER 44 25.554 2.771 8.122
297 HA SER 44 HA SER 44 27.258 0.936 9.572
298 HB2 SER 44 1HB SER 44 24.805 0.049 9.558
299 HB3 SER 44 2HB SER 44 25.129 -0.321 7.864
300 HG SER 44 HG SER 44 25.740 -2.116 8.935
301 H SER 45 H SER 45 28.840 0.042 8.306
302 HA SER 45 HA SER 45 28.927 1.000 5.530
303 HB2 SER 45 1HB SER 45 30.763 1.592 7.232
304 HB3 SER 45 2HB SER 45 31.273 -0.089 7.079
305 HG SER 45 HG SER 45 31.346 0.364 4.747
306 H GLY 46 H GLY 46 27.656 -0.673 4.642
307 HA2 GLY 46 1HA GLY 46 27.571 -2.609 3.371
308 HA3 GLY 46 2HA GLY 46 29.175 -3.023 3.957
Start of MODEL 13
1 H1 GLY 1 H GLY 1 4.291 -37.601 -0.032
2 HA2 GLY 1 1HA GLY 1 2.436 -36.335 0.478
3 HA3 GLY 1 2HA GLY 1 2.374 -37.355 1.908
4 H SER 2 H SER 2 2.568 -34.223 0.826
5 HA SER 2 HA SER 2 3.782 -33.294 3.344
6 HB2 SER 2 1HB SER 2 4.238 -31.171 2.175
7 HB3 SER 2 2HB SER 2 4.991 -32.536 1.349
8 HG SER 2 HG SER 2 2.677 -31.090 0.614
9 H SER 3 H SER 3 1.868 -33.460 4.551
10 HA SER 3 HA SER 3 -0.475 -31.978 3.687
11 HB2 SER 3 1HB SER 3 0.089 -33.637 6.153
12 HB3 SER 3 2HB SER 3 -1.440 -32.808 5.860
13 HG SER 3 HG SER 3 -1.666 -34.054 3.961
14 H GLY 4 H GLY 4 -0.915 -29.945 4.237
15 HA2 GLY 4 1HA GLY 4 0.112 -28.842 6.732
16 HA3 GLY 4 2HA GLY 4 0.690 -28.084 5.255
17 H SER 5 H SER 5 -0.492 -26.365 6.763
18 HA SER 5 HA SER 5 -3.351 -26.288 6.445
19 HB2 SER 5 1HB SER 5 -3.232 -24.150 7.593
20 HB3 SER 5 2HB SER 5 -2.196 -25.310 8.422
21 HG SER 5 HG SER 5 -0.563 -24.065 8.019
22 H SER 6 H SER 6 -4.526 -24.702 5.269
23 HA SER 6 HA SER 6 -3.243 -24.010 2.749
24 HB2 SER 6 1HB SER 6 -6.076 -24.198 3.700
25 HB3 SER 6 2HB SER 6 -5.710 -23.224 2.276
26 HG SER 6 HG SER 6 -5.991 -25.158 1.398
27 H GLY 7 H GLY 7 -2.417 -22.067 2.378
28 HA2 GLY 7 1HA GLY 7 -2.380 -19.966 4.187
29 HA3 GLY 7 2HA GLY 7 -2.053 -19.802 2.468
30 H THR 8 H THR 8 -4.366 -19.369 5.001
31 HA THR 8 HA THR 8 -6.381 -18.396 3.108
32 HB THR 8 HB THR 8 -7.838 -18.227 5.166
33 HG1 THR 8 HG1 THR 8 -5.885 -18.292 6.592
34 HG21 THR 8 3HG2 THR 8 -6.742 -20.995 4.690
35 HG22 THR 8 1HG2 THR 8 -7.815 -20.168 3.562
36 HG23 THR 8 2HG2 THR 8 -8.374 -20.551 5.190
37 H GLY 9 H GLY 9 -7.518 -16.363 3.652
38 HA2 GLY 9 1HA GLY 9 -7.589 -14.157 4.366
39 HA3 GLY 9 2HA GLY 9 -6.166 -14.464 5.352
40 H GLU 10 H GLU 10 -7.043 -14.301 1.897
41 HA GLU 10 HA GLU 10 -4.441 -13.049 1.374
42 HB2 GLU 10 1HB GLU 10 -6.425 -14.455 -0.403
43 HB3 GLU 10 2HB GLU 10 -5.112 -13.488 -1.059
44 HG2 GLU 10 1HG GLU 10 -4.440 -15.774 -1.058
45 HG3 GLU 10 2HG GLU 10 -3.509 -14.922 0.172
46 H LYS 11 H LYS 11 -4.309 -10.945 0.982
47 HA LYS 11 HA LYS 11 -6.785 -9.436 0.563
48 HB2 LYS 11 1HB LYS 11 -4.028 -8.654 1.493
49 HB3 LYS 11 2HB LYS 11 -5.225 -7.453 1.025
50 HG2 LYS 11 1HG LYS 11 -5.711 -9.530 3.144
51 HG3 LYS 11 2HG LYS 11 -5.066 -7.922 3.480
52 HD2 LYS 11 1HD LYS 11 -7.059 -6.884 2.625
53 HD3 LYS 11 2HD LYS 11 -7.684 -8.441 2.075
54 HE2 LYS 11 1HE LYS 11 -8.827 -8.208 4.047
55 HE3 LYS 11 2HE LYS 11 -7.402 -9.083 4.607
56 HZ1 LYS 11 3HZ LYS 11 -8.235 -6.918 5.804
57 HZ2 LYS 11 1HZ LYS 11 -7.308 -6.158 4.609
58 HZ3 LYS 11 2HZ LYS 11 -6.584 -7.261 5.667
59 HA PRO 12 HA PRO 12 -5.916 -8.504 -3.640
60 HB2 PRO 12 1HB PRO 12 -6.984 -6.017 -3.847
61 HB3 PRO 12 2HB PRO 12 -7.970 -7.477 -3.708
62 HG2 PRO 12 1HG PRO 12 -7.200 -5.504 -1.593
63 HG3 PRO 12 2HG PRO 12 -8.770 -6.273 -1.886
64 HD2 PRO 12 1HD PRO 12 -7.070 -7.122 0.042
65 HD3 PRO 12 2HD PRO 12 -8.152 -8.227 -0.830
66 H PHE 13 H PHE 13 -4.895 -6.221 -1.175
67 HA PHE 13 HA PHE 13 -2.717 -5.353 -2.960
68 HB2 PHE 13 1HB PHE 13 -3.946 -3.697 -0.750
69 HB3 PHE 13 2HB PHE 13 -2.754 -3.173 -1.935
70 HD1 PHE 13 HD1 PHE 13 -3.444 -3.123 -4.377
71 HD2 PHE 13 HD2 PHE 13 -6.226 -3.493 -1.177
72 HE1 PHE 13 HE1 PHE 13 -5.253 -2.376 -5.869
73 HE2 PHE 13 HE2 PHE 13 -8.039 -2.748 -2.663
74 HZ PHE 13 HZ PHE 13 -7.555 -2.189 -5.013
75 H GLU 14 H GLU 14 -0.721 -5.763 -2.268
76 HA GLU 14 HA GLU 14 -0.253 -6.123 0.607
77 HB2 GLU 14 1HB GLU 14 -0.489 -8.361 -0.249
78 HB3 GLU 14 2HB GLU 14 0.595 -8.015 -1.588
79 HG2 GLU 14 1HG GLU 14 1.660 -7.656 1.150
80 HG3 GLU 14 2HG GLU 14 1.378 -9.304 0.592
81 H CYS 15 H CYS 15 1.402 -4.945 1.293
82 HA CYS 15 HA CYS 15 2.853 -3.176 -0.203
83 HB2 CYS 15 1HB CYS 15 2.706 -3.605 2.405
84 HB3 CYS 15 2HB CYS 15 4.223 -4.453 2.124
85 H SER 16 H SER 16 5.384 -3.233 -0.299
86 HA SER 16 HA SER 16 6.177 -5.792 -1.528
87 HB2 SER 16 1HB SER 16 6.799 -2.968 -2.404
88 HB3 SER 16 2HB SER 16 7.661 -4.378 -3.019
89 HG SER 16 HG SER 16 5.948 -4.959 -4.141
90 H GLU 17 H GLU 17 7.006 -3.181 0.590
91 HA GLU 17 HA GLU 17 9.765 -4.009 0.881
92 HB2 GLU 17 1HB GLU 17 8.078 -1.872 2.163
93 HB3 GLU 17 2HB GLU 17 9.688 -2.251 2.758
94 HG2 GLU 17 1HG GLU 17 8.981 -1.300 -0.007
95 HG3 GLU 17 2HG GLU 17 9.769 -0.362 1.260
96 H CYS 18 H CYS 18 6.992 -3.717 3.109
97 HA CYS 18 HA CYS 18 8.270 -5.616 4.920
98 HB2 CYS 18 1HB CYS 18 6.455 -5.003 6.482
99 HB3 CYS 18 2HB CYS 18 7.350 -3.595 5.919
100 H GLN 19 H GLN 19 5.790 -5.471 2.548
101 HA GLN 19 HA GLN 19 4.478 -7.096 1.633
102 HB2 GLN 19 1HB GLN 19 5.694 -9.040 3.592
103 HB3 GLN 19 2HB GLN 19 4.939 -9.400 2.045
104 HG2 GLN 19 1HG GLN 19 6.875 -7.841 1.148
105 HG3 GLN 19 2HG GLN 19 7.651 -8.364 2.642
106 HE21 GLN 19 1HE2 GLN 19 6.429 -9.349 -0.456
107 HE22 GLN 19 2HE2 GLN 19 7.168 -10.911 -0.479
108 H LYS 20 H LYS 20 3.310 -5.476 3.437
109 HA LYS 20 HA LYS 20 1.888 -7.073 5.404
110 HB2 LYS 20 1HB LYS 20 2.728 -4.550 5.539
111 HB3 LYS 20 2HB LYS 20 1.144 -4.244 4.838
112 HG2 LYS 20 1HG LYS 20 0.534 -4.140 7.002
113 HG3 LYS 20 2HG LYS 20 0.431 -5.893 6.823
114 HD2 LYS 20 1HD LYS 20 3.068 -4.754 7.559
115 HD3 LYS 20 2HD LYS 20 1.804 -4.727 8.790
116 HE2 LYS 20 1HE LYS 20 2.569 -7.200 7.252
117 HE3 LYS 20 2HE LYS 20 3.296 -6.758 8.796
118 HZ1 LYS 20 3HZ LYS 20 1.592 -7.718 9.803
119 HZ2 LYS 20 1HZ LYS 20 0.857 -8.072 8.321
120 HZ3 LYS 20 2HZ LYS 20 0.532 -6.605 9.097
121 H ALA 21 H ALA 21 -0.495 -6.941 5.533
122 HA ALA 21 HA ALA 21 -1.662 -7.154 2.844
123 HB1 ALA 21 3HB ALA 21 -1.678 -9.093 4.563
124 HB2 ALA 21 1HB ALA 21 -2.992 -8.189 5.315
125 HB3 ALA 21 2HB ALA 21 -3.143 -8.742 3.647
126 H PHE 22 H PHE 22 -2.862 -5.505 2.190
127 HA PHE 22 HA PHE 22 -4.282 -3.904 4.215
128 HB2 PHE 22 1HB PHE 22 -3.070 -3.118 1.568
129 HB3 PHE 22 2HB PHE 22 -4.237 -2.100 2.405
130 HD1 PHE 22 HD2 PHE 22 -0.846 -3.483 2.488
131 HD2 PHE 22 HD1 PHE 22 -3.642 -0.902 4.395
132 HE1 PHE 22 HE2 PHE 22 0.973 -2.508 3.828
133 HE2 PHE 22 HE1 PHE 22 -1.827 0.078 5.738
134 HZ PHE 22 HZ PHE 22 0.484 -0.726 5.456
135 H ASN 23 H ASN 23 -6.224 -2.711 3.192
136 HA ASN 23 HA ASN 23 -7.824 -4.733 1.793
137 HB2 ASN 23 1HB ASN 23 -8.876 -2.258 3.160
138 HB3 ASN 23 2HB ASN 23 -9.758 -3.720 2.729
139 HD21 ASN 23 1HD2 ASN 23 -7.542 -2.259 4.963
140 HD22 ASN 23 2HD2 ASN 23 -7.641 -3.484 6.178
141 H THR 24 H THR 24 -7.201 -1.231 1.786
142 HA THR 24 HA THR 24 -8.067 -1.171 -1.031
143 HB THR 24 HB THR 24 -8.456 1.287 -0.660
144 HG1 THR 24 HG1 THR 24 -8.525 0.713 2.102
145 HG21 THR 24 3HG2 THR 24 -10.059 -0.938 0.088
146 HG22 THR 24 1HG2 THR 24 -10.581 0.646 -0.485
147 HG23 THR 24 2HG2 THR 24 -10.355 0.362 1.241
148 H LYS 25 H LYS 25 -6.763 -0.222 -2.543
149 HA LYS 25 HA LYS 25 -4.012 -0.224 -2.183
150 HB2 LYS 25 1HB LYS 25 -5.200 -0.312 -4.376
151 HB3 LYS 25 2HB LYS 25 -5.542 1.406 -4.219
152 HG2 LYS 25 1HG LYS 25 -3.392 2.020 -4.657
153 HG3 LYS 25 2HG LYS 25 -2.715 0.524 -4.009
154 HD2 LYS 25 1HD LYS 25 -2.374 0.245 -6.274
155 HD3 LYS 25 2HD LYS 25 -3.922 -0.573 -6.047
156 HE2 LYS 25 1HE LYS 25 -3.949 2.329 -6.690
157 HE3 LYS 25 2HE LYS 25 -3.539 1.200 -7.979
158 HZ1 LYS 25 3HZ LYS 25 -5.903 1.655 -7.944
159 HZ2 LYS 25 1HZ LYS 25 -6.013 1.135 -6.338
160 HZ3 LYS 25 2HZ LYS 25 -5.618 0.032 -7.558
161 H SER 26 H SER 26 -6.193 2.591 -2.332
162 HA SER 26 HA SER 26 -4.460 4.655 -2.026
163 HB2 SER 26 1HB SER 26 -6.246 5.879 -0.868
164 HB3 SER 26 2HB SER 26 -6.899 4.939 -2.209
165 HG SER 26 HG SER 26 -8.229 4.424 -0.594
166 H ASN 27 H ASN 27 -5.757 2.659 0.614
167 HA ASN 27 HA ASN 27 -4.417 3.979 2.705
168 HB2 ASN 27 1HB ASN 27 -5.752 1.332 2.376
169 HB3 ASN 27 2HB ASN 27 -4.707 1.560 3.775
170 HD21 ASN 27 1HD2 ASN 27 -6.768 1.200 4.900
171 HD22 ASN 27 2HD2 ASN 27 -7.790 2.563 5.191
172 H LEU 28 H LEU 28 -3.519 1.187 0.724
173 HA LEU 28 HA LEU 28 -1.155 0.520 2.089
174 HB2 LEU 28 1HB LEU 28 -2.081 -1.056 0.584
175 HB3 LEU 28 2HB LEU 28 -2.047 0.095 -0.750
176 HG LEU 28 HG LEU 28 0.397 -0.036 -0.800
177 HD11 LEU 28 1HD1 LEU 28 1.650 -1.468 0.579
178 HD12 LEU 28 2HD1 LEU 28 0.207 -2.266 1.204
179 HD13 LEU 28 3HD1 LEU 28 0.566 -0.603 1.668
180 HD21 LEU 28 3HD2 LEU 28 -1.264 -1.728 -1.929
181 HD22 LEU 28 1HD2 LEU 28 -0.505 -2.875 -0.825
182 HD23 LEU 28 2HD2 LEU 28 0.480 -1.992 -1.992
183 H ILE 29 H ILE 29 -1.627 2.467 -0.857
184 HA ILE 29 HA ILE 29 0.973 3.165 -1.393
185 HB ILE 29 HB ILE 29 -1.430 4.982 -1.628
186 HG12 ILE 29 1HG1 ILE 29 -0.231 3.322 -3.832
187 HG13 ILE 29 2HG1 ILE 29 -1.445 2.646 -2.750
188 HG21 ILE 29 1HG2 ILE 29 1.172 5.700 -1.912
189 HG22 ILE 29 2HG2 ILE 29 0.771 5.207 -3.556
190 HG23 ILE 29 3HG2 ILE 29 -0.175 6.463 -2.758
191 HD11 ILE 29 3HD1 ILE 29 -3.118 3.833 -3.674
192 HD12 ILE 29 1HD1 ILE 29 -2.102 5.240 -3.980
193 HD13 ILE 29 2HD1 ILE 29 -2.030 3.849 -5.062
194 H VAL 30 H VAL 30 -1.283 4.905 0.746
195 HA VAL 30 HA VAL 30 0.456 6.928 1.559
196 HB VAL 30 HB VAL 30 -1.739 5.655 3.201
197 HG11 VAL 30 1HG1 VAL 30 -1.807 7.736 4.417
198 HG12 VAL 30 2HG1 VAL 30 -0.167 7.088 4.471
199 HG13 VAL 30 3HG1 VAL 30 -0.554 8.422 3.384
200 HG21 VAL 30 3HG2 VAL 30 -2.041 6.816 0.759
201 HG22 VAL 30 1HG2 VAL 30 -3.280 6.778 2.014
202 HG23 VAL 30 2HG2 VAL 30 -2.251 8.199 1.833
203 H HIS 31 H HIS 31 0.140 3.616 2.640
204 HA HIS 31 HA HIS 31 1.760 3.942 4.982
205 HB2 HIS 31 1HB HIS 31 0.357 2.123 5.212
206 HB3 HIS 31 2HB HIS 31 0.541 1.634 3.530
207 HD1 HIS 31 HD1 HIS 31 2.703 1.755 6.663
208 HD2 HIS 31 HD2 HIS 31 2.130 -0.531 3.241
209 HE1 HIS 31 HE1 HIS 31 4.261 -0.206 6.895
210 H GLN 32 H GLN 32 2.304 2.276 1.874
211 HA GLN 32 HA GLN 32 4.853 1.448 2.081
212 HB2 GLN 32 1HB GLN 32 3.433 2.753 -0.219
213 HB3 GLN 32 2HB GLN 32 5.109 2.245 -0.382
214 HG2 GLN 32 1HG GLN 32 4.558 -0.022 -0.032
215 HG3 GLN 32 2HG GLN 32 2.934 0.384 0.522
216 HE21 GLN 32 1HE2 GLN 32 2.727 -1.395 -1.235
217 HE22 GLN 32 2HE2 GLN 32 2.380 -0.812 -2.823
218 H ARG 33 H ARG 33 3.847 4.795 1.568
219 HA ARG 33 HA ARG 33 6.315 5.964 1.086
220 HB2 ARG 33 1HB ARG 33 4.396 7.418 2.839
221 HB3 ARG 33 2HB ARG 33 5.277 7.984 1.426
222 HG2 ARG 33 1HG ARG 33 3.733 6.438 0.086
223 HG3 ARG 33 2HG ARG 33 2.741 6.397 1.545
224 HD2 ARG 33 1HD ARG 33 3.632 8.981 0.302
225 HD3 ARG 33 2HD ARG 33 2.174 8.147 -0.234
226 HE ARG 33 HE ARG 33 1.145 8.684 1.776
227 HH11 ARG 33 1HH1 ARG 33 4.488 9.655 1.789
228 HH12 ARG 33 2HH1 ARG 33 4.330 10.647 3.200
229 HH21 ARG 33 1HH2 ARG 33 0.924 9.988 3.635
230 HH22 ARG 33 2HH2 ARG 33 2.303 10.835 4.250
231 H THR 34 H THR 34 4.750 5.233 4.180
232 HA THR 34 HA THR 34 6.410 6.440 5.973
233 HB THR 34 HB THR 34 5.866 4.711 7.579
234 HG1 THR 34 HG1 THR 34 4.533 2.886 6.540
235 HG21 THR 34 3HG2 THR 34 3.300 4.442 6.780
236 HG22 THR 34 1HG2 THR 34 3.814 5.772 5.743
237 HG23 THR 34 2HG2 THR 34 3.952 5.916 7.496
238 H HIS 35 H HIS 35 7.211 3.894 3.809
239 HA HIS 35 HA HIS 35 9.449 2.852 5.237
240 HB2 HIS 35 1HB HIS 35 8.641 2.695 2.331
241 HB3 HIS 35 2HB HIS 35 10.057 1.877 2.984
242 HD1 HIS 35 HD1 HIS 35 8.999 0.653 5.521
243 HD2 HIS 35 HD2 HIS 35 6.828 0.720 1.980
244 HE1 HIS 35 HE1 HIS 35 7.335 -1.223 5.717
245 H THR 36 H THR 36 9.566 4.476 2.077
246 HA THR 36 HA THR 36 12.236 5.282 2.316
247 HB THR 36 HB THR 36 10.927 5.155 0.173
248 HG1 THR 36 HG1 THR 36 12.004 7.058 -0.691
249 HG21 THR 36 3HG2 THR 36 10.058 7.959 0.479
250 HG22 THR 36 1HG2 THR 36 9.126 6.763 1.380
251 HG23 THR 36 2HG2 THR 36 9.288 6.619 -0.370
252 H GLY 37 H GLY 37 9.246 6.851 3.275
253 HA2 GLY 37 1HA GLY 37 8.889 9.001 4.122
254 HA3 GLY 37 2HA GLY 37 10.017 8.364 5.309
255 H GLU 38 H GLU 38 10.096 9.823 2.054
256 HA GLU 38 HA GLU 38 12.246 11.586 3.010
257 HB2 GLU 38 1HB GLU 38 13.480 11.318 0.972
258 HB3 GLU 38 2HB GLU 38 13.160 9.717 1.625
259 HG2 GLU 38 1HG GLU 38 11.231 9.546 0.053
260 HG3 GLU 38 2HG GLU 38 11.763 11.061 -0.673
261 H LYS 39 H LYS 39 9.412 12.076 2.760
262 HA LYS 39 HA LYS 39 9.442 14.124 0.641
263 HB2 LYS 39 1HB LYS 39 7.818 12.334 0.183
264 HB3 LYS 39 2HB LYS 39 7.058 12.623 1.743
265 HG2 LYS 39 1HG LYS 39 5.755 13.650 0.004
266 HG3 LYS 39 2HG LYS 39 6.483 14.903 1.011
267 HD2 LYS 39 1HD LYS 39 7.998 15.522 -0.635
268 HD3 LYS 39 2HD LYS 39 7.863 13.978 -1.479
269 HE2 LYS 39 1HE LYS 39 5.729 14.540 -2.347
270 HE3 LYS 39 2HE LYS 39 5.587 15.936 -1.281
271 HZ1 LYS 39 3HZ LYS 39 7.693 16.725 -2.523
272 HZ2 LYS 39 1HZ LYS 39 6.185 16.887 -3.273
273 HZ3 LYS 39 2HZ LYS 39 7.216 15.620 -3.711
274 HA PRO 40 HA PRO 40 9.212 16.379 4.642
275 HB2 PRO 40 1HB PRO 40 10.678 18.493 3.773
276 HB3 PRO 40 2HB PRO 40 11.408 17.015 4.413
277 HG2 PRO 40 1HG PRO 40 11.006 17.851 1.567
278 HG3 PRO 40 2HG PRO 40 12.421 17.096 2.321
279 HD2 PRO 40 1HD PRO 40 10.628 15.691 0.858
280 HD3 PRO 40 2HD PRO 40 11.499 14.985 2.234
281 H SER 41 H SER 41 8.203 16.950 1.434
282 HA SER 41 HA SER 41 6.612 19.277 2.293
283 HB2 SER 41 1HB SER 41 8.325 19.554 0.390
284 HB3 SER 41 2HB SER 41 7.209 18.595 -0.581
285 HG SER 41 HG SER 41 7.014 21.202 0.274
286 H GLY 42 H GLY 42 5.712 16.748 2.938
287 HA2 GLY 42 1HA GLY 42 4.190 15.223 1.360
288 HA3 GLY 42 2HA GLY 42 3.602 15.765 2.924
289 HA PRO 43 HA PRO 43 0.289 17.859 0.969
290 HB2 PRO 43 1HB PRO 43 -0.091 19.954 2.655
291 HB3 PRO 43 2HB PRO 43 -0.527 18.293 3.073
292 HG2 PRO 43 1HG PRO 43 1.906 19.861 3.836
293 HG3 PRO 43 2HG PRO 43 0.905 18.792 4.836
294 HD2 PRO 43 1HD PRO 43 3.270 18.006 3.777
295 HD3 PRO 43 2HD PRO 43 1.918 16.884 4.030
296 H SER 44 H SER 44 -0.382 19.932 0.008
297 HA SER 44 HA SER 44 1.554 21.036 -1.642
298 HB2 SER 44 1HB SER 44 -0.970 21.132 -1.927
299 HB3 SER 44 2HB SER 44 -0.958 22.486 -0.797
300 HG SER 44 HG SER 44 0.590 23.470 -2.288
301 H SER 45 H SER 45 3.348 21.951 -0.832
302 HA SER 45 HA SER 45 3.869 23.195 1.485
303 HB2 SER 45 1HB SER 45 5.461 22.852 -0.461
304 HB3 SER 45 2HB SER 45 4.844 24.364 -1.126
305 HG SER 45 HG SER 45 5.598 25.435 0.697
306 H GLY 46 H GLY 46 2.526 24.535 2.534
307 HA2 GLY 46 1HA GLY 46 1.034 26.273 2.891
308 HA3 GLY 46 2HA GLY 46 2.346 27.199 2.177
Start of MODEL 14
1 H1 GLY 1 H GLY 1 6.564 -28.833 15.068
2 HA2 GLY 1 1HA GLY 1 7.279 -26.592 16.161
3 HA3 GLY 1 2HA GLY 1 7.879 -26.257 14.544
4 H SER 2 H SER 2 6.381 -26.015 12.823
5 HA SER 2 HA SER 2 3.551 -25.917 13.477
6 HB2 SER 2 1HB SER 2 5.171 -23.473 12.766
7 HB3 SER 2 2HB SER 2 3.427 -23.548 12.518
8 HG SER 2 HG SER 2 3.584 -24.311 14.902
9 H SER 3 H SER 3 2.259 -25.244 11.493
10 HA SER 3 HA SER 3 3.583 -26.285 9.073
11 HB2 SER 3 1HB SER 3 1.944 -27.889 9.855
12 HB3 SER 3 2HB SER 3 0.714 -26.631 9.975
13 HG SER 3 HG SER 3 1.125 -26.357 7.624
14 H GLY 4 H GLY 4 1.054 -24.113 10.290
15 HA2 GLY 4 1HA GLY 4 0.614 -21.941 9.553
16 HA3 GLY 4 2HA GLY 4 1.705 -22.204 8.201
17 H SER 5 H SER 5 -1.556 -22.519 9.367
18 HA SER 5 HA SER 5 -2.708 -23.984 7.298
19 HB2 SER 5 1HB SER 5 -3.753 -21.904 9.191
20 HB3 SER 5 2HB SER 5 -4.789 -22.511 7.898
21 HG SER 5 HG SER 5 -4.709 -24.519 8.763
22 H SER 6 H SER 6 -4.415 -22.924 5.778
23 HA SER 6 HA SER 6 -2.940 -21.257 3.961
24 HB2 SER 6 1HB SER 6 -4.531 -23.141 3.311
25 HB3 SER 6 2HB SER 6 -5.847 -22.037 3.711
26 HG SER 6 HG SER 6 -3.797 -21.258 1.942
27 H GLY 7 H GLY 7 -3.927 -19.298 2.974
28 HA2 GLY 7 1HA GLY 7 -5.024 -17.602 5.110
29 HA3 GLY 7 2HA GLY 7 -4.176 -17.030 3.681
30 H THR 8 H THR 8 -7.217 -18.060 4.998
31 HA THR 8 HA THR 8 -8.663 -18.010 2.532
32 HB THR 8 HB THR 8 -10.693 -17.963 4.031
33 HG1 THR 8 HG1 THR 8 -10.374 -18.092 6.229
34 HG21 THR 8 3HG2 THR 8 -9.910 -20.082 3.260
35 HG22 THR 8 1HG2 THR 8 -10.247 -20.251 4.982
36 HG23 THR 8 2HG2 THR 8 -8.583 -20.083 4.422
37 H GLY 9 H GLY 9 -8.399 -16.063 1.491
38 HA2 GLY 9 1HA GLY 9 -9.658 -14.023 1.104
39 HA3 GLY 9 2HA GLY 9 -9.637 -13.748 2.839
40 H GLU 10 H GLU 10 -7.256 -14.325 0.243
41 HA GLU 10 HA GLU 10 -5.244 -12.774 1.530
42 HB2 GLU 10 1HB GLU 10 -3.908 -13.179 -0.400
43 HB3 GLU 10 2HB GLU 10 -4.836 -14.643 -0.108
44 HG2 GLU 10 1HG GLU 10 -6.423 -13.974 -1.851
45 HG3 GLU 10 2HG GLU 10 -5.461 -12.529 -2.158
46 H LYS 11 H LYS 11 -4.908 -10.652 1.492
47 HA LYS 11 HA LYS 11 -6.742 -8.853 0.364
48 HB2 LYS 11 1HB LYS 11 -4.016 -8.568 1.577
49 HB3 LYS 11 2HB LYS 11 -4.780 -7.181 0.811
50 HG2 LYS 11 1HG LYS 11 -5.237 -7.087 3.146
51 HG3 LYS 11 2HG LYS 11 -6.736 -7.509 2.315
52 HD2 LYS 11 1HD LYS 11 -6.636 -9.737 3.022
53 HD3 LYS 11 2HD LYS 11 -4.923 -9.624 3.431
54 HE2 LYS 11 1HE LYS 11 -5.427 -8.195 5.312
55 HE3 LYS 11 2HE LYS 11 -7.132 -8.153 4.864
56 HZ1 LYS 11 3HZ LYS 11 -6.299 -10.830 5.121
57 HZ2 LYS 11 1HZ LYS 11 -7.467 -9.996 6.017
58 HZ3 LYS 11 2HZ LYS 11 -5.852 -9.985 6.516
59 HA PRO 12 HA PRO 12 -5.420 -8.513 -3.821
60 HB2 PRO 12 1HB PRO 12 -6.398 -6.043 -4.382
61 HB3 PRO 12 2HB PRO 12 -7.429 -7.469 -4.214
62 HG2 PRO 12 1HG PRO 12 -6.844 -5.309 -2.225
63 HG3 PRO 12 2HG PRO 12 -8.392 -6.081 -2.615
64 HD2 PRO 12 1HD PRO 12 -6.932 -6.761 -0.438
65 HD3 PRO 12 2HD PRO 12 -7.940 -7.930 -1.315
66 H PHE 13 H PHE 13 -4.729 -5.853 -1.595
67 HA PHE 13 HA PHE 13 -2.354 -5.189 -3.204
68 HB2 PHE 13 1HB PHE 13 -3.626 -3.420 -1.117
69 HB3 PHE 13 2HB PHE 13 -2.449 -2.968 -2.346
70 HD1 PHE 13 HD1 PHE 13 -3.134 -2.818 -4.714
71 HD2 PHE 13 HD2 PHE 13 -5.947 -3.489 -1.592
72 HE1 PHE 13 HE1 PHE 13 -4.962 -2.163 -6.226
73 HE2 PHE 13 HE2 PHE 13 -7.780 -2.836 -3.098
74 HZ PHE 13 HZ PHE 13 -7.288 -2.172 -5.418
75 H GLU 14 H GLU 14 -0.405 -5.569 -2.372
76 HA GLU 14 HA GLU 14 -0.098 -5.777 0.534
77 HB2 GLU 14 1HB GLU 14 -0.431 -8.060 -0.584
78 HB3 GLU 14 2HB GLU 14 1.153 -7.807 -1.304
79 HG2 GLU 14 1HG GLU 14 2.142 -7.629 0.917
80 HG3 GLU 14 2HG GLU 14 0.555 -7.872 1.645
81 H CYS 15 H CYS 15 1.811 -5.018 1.310
82 HA CYS 15 HA CYS 15 3.363 -3.320 -0.315
83 HB2 CYS 15 1HB CYS 15 2.991 -3.375 2.288
84 HB3 CYS 15 2HB CYS 15 4.425 -4.396 2.270
85 H SER 16 H SER 16 5.826 -3.493 -0.370
86 HA SER 16 HA SER 16 6.540 -6.219 -1.228
87 HB2 SER 16 1HB SER 16 7.758 -3.601 -2.139
88 HB3 SER 16 2HB SER 16 8.127 -5.205 -2.772
89 HG SER 16 HG SER 16 6.305 -5.209 -3.870
90 H GLU 17 H GLU 17 7.489 -3.469 0.701
91 HA GLU 17 HA GLU 17 10.089 -4.508 1.352
92 HB2 GLU 17 1HB GLU 17 8.441 -2.210 2.382
93 HB3 GLU 17 2HB GLU 17 9.960 -2.665 3.141
94 HG2 GLU 17 1HG GLU 17 10.103 -0.810 1.470
95 HG3 GLU 17 2HG GLU 17 11.195 -2.165 1.190
96 H CYS 18 H CYS 18 7.151 -3.930 3.295
97 HA CYS 18 HA CYS 18 8.116 -5.853 5.273
98 HB2 CYS 18 1HB CYS 18 6.352 -4.995 6.713
99 HB3 CYS 18 2HB CYS 18 7.289 -3.658 6.054
100 H GLN 19 H GLN 19 5.942 -5.635 2.656
101 HA GLN 19 HA GLN 19 4.488 -7.117 1.725
102 HB2 GLN 19 1HB GLN 19 5.600 -9.065 3.751
103 HB3 GLN 19 2HB GLN 19 4.680 -9.478 2.310
104 HG2 GLN 19 1HG GLN 19 7.261 -7.973 2.128
105 HG3 GLN 19 2HG GLN 19 7.226 -9.731 2.249
106 HE21 GLN 19 1HE2 GLN 19 8.369 -8.704 0.079
107 HE22 GLN 19 2HE2 GLN 19 7.366 -8.900 -1.314
108 H LYS 20 H LYS 20 3.411 -5.392 3.538
109 HA LYS 20 HA LYS 20 1.762 -6.862 5.413
110 HB2 LYS 20 1HB LYS 20 2.718 -4.591 5.907
111 HB3 LYS 20 2HB LYS 20 1.628 -3.931 4.694
112 HG2 LYS 20 1HG LYS 20 0.376 -3.565 6.548
113 HG3 LYS 20 2HG LYS 20 -0.178 -5.194 6.157
114 HD2 LYS 20 1HD LYS 20 1.527 -6.092 7.725
115 HD3 LYS 20 2HD LYS 20 1.931 -4.434 8.177
116 HE2 LYS 20 1HE LYS 20 0.435 -5.188 9.830
117 HE3 LYS 20 2HE LYS 20 -0.522 -4.155 8.768
118 HZ1 LYS 20 3HZ LYS 20 -0.495 -7.117 8.868
119 HZ2 LYS 20 1HZ LYS 20 -1.210 -6.248 7.604
120 HZ3 LYS 20 2HZ LYS 20 -1.794 -6.081 9.182
121 H ALA 21 H ALA 21 -0.480 -7.051 5.322
122 HA ALA 21 HA ALA 21 -1.582 -6.933 2.617
123 HB1 ALA 21 3HB ALA 21 -3.432 -8.299 3.609
124 HB2 ALA 21 1HB ALA 21 -1.839 -9.055 3.666
125 HB3 ALA 21 2HB ALA 21 -2.520 -8.321 5.119
126 H PHE 22 H PHE 22 -3.025 -5.457 2.004
127 HA PHE 22 HA PHE 22 -4.381 -3.882 4.094
128 HB2 PHE 22 1HB PHE 22 -3.115 -3.000 1.512
129 HB3 PHE 22 2HB PHE 22 -4.376 -2.040 2.278
130 HD1 PHE 22 HD2 PHE 22 -0.926 -3.217 2.513
131 HD2 PHE 22 HD1 PHE 22 -3.971 -0.885 4.360
132 HE1 PHE 22 HE2 PHE 22 0.761 -2.172 3.968
133 HE2 PHE 22 HE1 PHE 22 -2.288 0.164 5.817
134 HZ PHE 22 HZ PHE 22 0.081 -0.479 5.623
135 H ASN 23 H ASN 23 -6.430 -2.878 3.380
136 HA ASN 23 HA ASN 23 -7.963 -4.801 1.811
137 HB2 ASN 23 1HB ASN 23 -8.859 -2.481 3.536
138 HB3 ASN 23 2HB ASN 23 -9.939 -3.606 2.718
139 HD21 ASN 23 1HD2 ASN 23 -8.866 -2.892 5.616
140 HD22 ASN 23 2HD2 ASN 23 -8.785 -4.455 6.346
141 H THR 24 H THR 24 -7.375 -1.300 1.941
142 HA THR 24 HA THR 24 -8.387 -1.105 -0.820
143 HB THR 24 HB THR 24 -8.819 1.264 -0.398
144 HG1 THR 24 HG1 THR 24 -8.699 1.758 2.034
145 HG21 THR 24 3HG2 THR 24 -10.009 -0.652 1.603
146 HG22 THR 24 1HG2 THR 24 -10.670 -0.172 0.040
147 HG23 THR 24 2HG2 THR 24 -10.602 0.991 1.364
148 H LYS 25 H LYS 25 -7.241 0.162 -2.323
149 HA LYS 25 HA LYS 25 -4.435 -0.041 -2.180
150 HB2 LYS 25 1HB LYS 25 -6.072 0.188 -4.229
151 HB3 LYS 25 2HB LYS 25 -5.757 1.906 -4.028
152 HG2 LYS 25 1HG LYS 25 -3.444 1.626 -4.442
153 HG3 LYS 25 2HG LYS 25 -3.567 -0.131 -4.318
154 HD2 LYS 25 1HD LYS 25 -3.457 0.281 -6.620
155 HD3 LYS 25 2HD LYS 25 -5.175 0.029 -6.306
156 HE2 LYS 25 1HE LYS 25 -4.098 2.799 -6.166
157 HE3 LYS 25 2HE LYS 25 -4.311 2.064 -7.754
158 HZ1 LYS 25 3HZ LYS 25 -6.521 2.226 -7.613
159 HZ2 LYS 25 1HZ LYS 25 -6.235 3.352 -6.382
160 HZ3 LYS 25 2HZ LYS 25 -6.569 1.741 -5.993
161 H SER 26 H SER 26 -6.570 2.801 -1.973
162 HA SER 26 HA SER 26 -4.730 4.803 -1.684
163 HB2 SER 26 1HB SER 26 -7.358 4.489 -0.216
164 HB3 SER 26 2HB SER 26 -6.439 5.992 -0.310
165 HG SER 26 HG SER 26 -7.789 6.169 -1.981
166 H ASN 27 H ASN 27 -5.968 2.672 0.869
167 HA ASN 27 HA ASN 27 -4.595 3.842 3.015
168 HB2 ASN 27 1HB ASN 27 -5.701 1.085 2.535
169 HB3 ASN 27 2HB ASN 27 -4.833 1.468 4.019
170 HD21 ASN 27 1HD2 ASN 27 -6.698 1.093 5.235
171 HD22 ASN 27 2HD2 ASN 27 -7.995 2.232 5.282
172 H LEU 28 H LEU 28 -3.676 1.205 0.832
173 HA LEU 28 HA LEU 28 -1.229 0.582 2.086
174 HB2 LEU 28 1HB LEU 28 -2.127 -1.016 0.610
175 HB3 LEU 28 2HB LEU 28 -2.284 0.160 -0.693
176 HG LEU 28 HG LEU 28 0.165 0.207 -0.921
177 HD11 LEU 28 1HD1 LEU 28 1.100 -0.313 1.113
178 HD12 LEU 28 2HD1 LEU 28 1.306 -1.831 0.241
179 HD13 LEU 28 3HD1 LEU 28 -0.008 -1.654 1.404
180 HD21 LEU 28 3HD2 LEU 28 0.401 -1.956 -1.963
181 HD22 LEU 28 1HD2 LEU 28 -1.226 -1.340 -2.255
182 HD23 LEU 28 2HD2 LEU 28 -0.961 -2.588 -1.037
183 H ILE 29 H ILE 29 -1.900 2.535 -0.820
184 HA ILE 29 HA ILE 29 0.620 3.350 -1.480
185 HB ILE 29 HB ILE 29 -1.849 5.090 -1.495
186 HG12 ILE 29 1HG1 ILE 29 -0.698 3.491 -3.780
187 HG13 ILE 29 2HG1 ILE 29 -1.930 2.842 -2.704
188 HG21 ILE 29 1HG2 ILE 29 0.801 5.349 -2.897
189 HG22 ILE 29 2HG2 ILE 29 -0.645 6.232 -3.384
190 HG23 ILE 29 3HG2 ILE 29 0.048 6.490 -1.783
191 HD11 ILE 29 3HD1 ILE 29 -2.804 3.770 -4.831
192 HD12 ILE 29 1HD1 ILE 29 -3.494 4.509 -3.386
193 HD13 ILE 29 2HD1 ILE 29 -2.256 5.363 -4.308
194 H VAL 30 H VAL 30 -1.496 4.818 0.965
195 HA VAL 30 HA VAL 30 0.232 6.911 1.700
196 HB VAL 30 HB VAL 30 -1.853 5.509 3.379
197 HG11 VAL 30 1HG1 VAL 30 -1.716 7.212 4.934
198 HG12 VAL 30 2HG1 VAL 30 -0.022 6.985 4.494
199 HG13 VAL 30 3HG1 VAL 30 -0.942 8.323 3.804
200 HG21 VAL 30 3HG2 VAL 30 -3.355 6.505 2.081
201 HG22 VAL 30 1HG2 VAL 30 -2.684 8.072 2.535
202 HG23 VAL 30 2HG2 VAL 30 -2.072 7.229 1.111
203 H HIS 31 H HIS 31 0.022 3.560 2.721
204 HA HIS 31 HA HIS 31 1.806 3.835 4.938
205 HB2 HIS 31 1HB HIS 31 0.456 1.978 5.189
206 HB3 HIS 31 2HB HIS 31 0.543 1.552 3.483
207 HD1 HIS 31 HD1 HIS 31 2.443 1.216 6.704
208 HD2 HIS 31 HD2 HIS 31 2.612 -0.163 2.788
209 HE1 HIS 31 HE1 HIS 31 4.169 -0.613 6.709
210 H GLN 32 H GLN 32 2.176 2.288 1.743
211 HA GLN 32 HA GLN 32 4.722 1.486 1.715
212 HB2 GLN 32 1HB GLN 32 3.103 2.891 -0.363
213 HB3 GLN 32 2HB GLN 32 4.803 2.583 -0.690
214 HG2 GLN 32 1HG GLN 32 4.273 0.156 -0.038
215 HG3 GLN 32 2HG GLN 32 2.587 0.622 -0.254
216 HE21 GLN 32 1HE2 GLN 32 2.462 -0.898 -1.961
217 HE22 GLN 32 2HE2 GLN 32 3.094 -0.528 -3.525
218 H ARG 33 H ARG 33 3.778 4.875 1.161
219 HA ARG 33 HA ARG 33 6.146 6.092 0.718
220 HB2 ARG 33 1HB ARG 33 4.424 7.338 2.812
221 HB3 ARG 33 2HB ARG 33 5.179 8.069 1.401
222 HG2 ARG 33 1HG ARG 33 3.469 6.493 0.133
223 HG3 ARG 33 2HG ARG 33 2.588 6.655 1.653
224 HD2 ARG 33 1HD ARG 33 2.460 9.004 1.439
225 HD3 ARG 33 2HD ARG 33 3.662 9.026 0.150
226 HE ARG 33 HE ARG 33 1.562 7.499 -0.784
227 HH11 ARG 33 1HH1 ARG 33 2.049 10.770 0.303
228 HH12 ARG 33 2HH1 ARG 33 0.805 11.430 -0.707
229 HH21 ARG 33 1HH2 ARG 33 -0.078 8.355 -2.118
230 HH22 ARG 33 2HH2 ARG 33 -0.405 10.054 -2.083
231 H THR 34 H THR 34 4.930 5.121 3.908
232 HA THR 34 HA THR 34 6.785 6.137 5.603
233 HB THR 34 HB THR 34 6.462 4.215 7.063
234 HG1 THR 34 HG1 THR 34 5.576 3.009 4.665
235 HG21 THR 34 3HG2 THR 34 4.152 5.396 5.611
236 HG22 THR 34 1HG2 THR 34 4.598 5.517 7.313
237 HG23 THR 34 2HG2 THR 34 3.835 4.049 6.703
238 H HIS 35 H HIS 35 7.202 3.311 3.518
239 HA HIS 35 HA HIS 35 9.759 2.583 4.497
240 HB2 HIS 35 1HB HIS 35 8.338 1.990 1.900
241 HB3 HIS 35 2HB HIS 35 9.918 1.323 2.301
242 HD1 HIS 35 HD1 HIS 35 9.712 0.238 4.997
243 HD2 HIS 35 HD2 HIS 35 6.471 0.119 2.399
244 HE1 HIS 35 HE1 HIS 35 8.226 -1.599 5.859
245 H THR 36 H THR 36 9.004 3.894 1.269
246 HA THR 36 HA THR 36 11.466 4.581 0.406
247 HB THR 36 HB THR 36 10.399 6.572 -0.752
248 HG1 THR 36 HG1 THR 36 8.121 5.576 0.646
249 HG21 THR 36 3HG2 THR 36 10.497 4.343 -1.775
250 HG22 THR 36 1HG2 THR 36 9.008 5.183 -2.206
251 HG23 THR 36 2HG2 THR 36 8.981 3.914 -0.982
252 H GLY 37 H GLY 37 13.013 5.371 1.732
253 HA2 GLY 37 1HA GLY 37 13.277 8.063 2.248
254 HA3 GLY 37 2HA GLY 37 12.521 7.396 3.687
255 H GLU 38 H GLU 38 13.732 6.270 5.135
256 HA GLU 38 HA GLU 38 16.610 6.402 4.770
257 HB2 GLU 38 1HB GLU 38 16.752 5.839 7.128
258 HB3 GLU 38 2HB GLU 38 15.593 7.141 6.893
259 HG2 GLU 38 1HG GLU 38 13.797 5.356 6.920
260 HG3 GLU 38 2HG GLU 38 15.045 4.255 7.501
261 H LYS 39 H LYS 39 17.744 4.767 3.988
262 HA LYS 39 HA LYS 39 17.006 2.027 4.672
263 HB2 LYS 39 1HB LYS 39 15.992 2.763 2.412
264 HB3 LYS 39 2HB LYS 39 17.644 2.701 1.812
265 HG2 LYS 39 1HG LYS 39 16.607 0.330 3.263
266 HG3 LYS 39 2HG LYS 39 16.007 0.637 1.631
267 HD2 LYS 39 1HD LYS 39 18.566 0.947 1.104
268 HD3 LYS 39 2HD LYS 39 18.761 -0.042 2.553
269 HE2 LYS 39 1HE LYS 39 18.722 -1.586 0.796
270 HE3 LYS 39 2HE LYS 39 17.092 -1.643 1.465
271 HZ1 LYS 39 3HZ LYS 39 17.193 -1.560 -1.002
272 HZ2 LYS 39 1HZ LYS 39 17.843 -0.002 -0.889
273 HZ3 LYS 39 2HZ LYS 39 16.284 -0.312 -0.312
274 HA PRO 40 HA PRO 40 21.439 2.185 5.254
275 HB2 PRO 40 1HB PRO 40 21.629 -0.274 6.389
276 HB3 PRO 40 2HB PRO 40 21.067 1.150 7.272
277 HG2 PRO 40 1HG PRO 40 19.472 -1.042 6.002
278 HG3 PRO 40 2HG PRO 40 19.245 -0.261 7.578
279 HD2 PRO 40 1HD PRO 40 17.761 0.382 5.406
280 HD3 PRO 40 2HD PRO 40 18.181 1.566 6.660
281 H SER 41 H SER 41 19.909 -0.854 4.168
282 HA SER 41 HA SER 41 21.252 -0.931 1.696
283 HB2 SER 41 1HB SER 41 23.275 -1.365 2.909
284 HB3 SER 41 2HB SER 41 22.481 -2.574 3.917
285 HG SER 41 HG SER 41 22.781 -2.797 1.105
286 H GLY 42 H GLY 42 20.897 -2.979 0.536
287 HA2 GLY 42 1HA GLY 42 19.155 -4.949 1.711
288 HA3 GLY 42 2HA GLY 42 18.330 -3.880 0.586
289 HA PRO 43 HA PRO 43 20.339 -7.514 -1.642
290 HB2 PRO 43 1HB PRO 43 18.041 -8.619 -2.574
291 HB3 PRO 43 2HB PRO 43 18.751 -9.051 -1.014
292 HG2 PRO 43 1HG PRO 43 16.502 -7.169 -1.616
293 HG3 PRO 43 2HG PRO 43 16.635 -8.376 -0.324
294 HD2 PRO 43 1HD PRO 43 17.079 -5.739 0.096
295 HD3 PRO 43 2HD PRO 43 17.938 -7.007 0.995
296 H SER 44 H SER 44 17.380 -5.780 -2.634
297 HA SER 44 HA SER 44 16.751 -4.889 -4.642
298 HB2 SER 44 1HB SER 44 18.710 -3.407 -3.705
299 HB3 SER 44 2HB SER 44 19.595 -4.054 -5.087
300 HG SER 44 HG SER 44 17.084 -2.735 -5.230
301 H SER 45 H SER 45 17.299 -7.597 -4.860
302 HA SER 45 HA SER 45 19.096 -8.480 -6.727
303 HB2 SER 45 1HB SER 45 17.529 -10.305 -7.211
304 HB3 SER 45 2HB SER 45 17.569 -9.964 -5.482
305 HG SER 45 HG SER 45 15.635 -8.811 -5.720
306 H GLY 46 H GLY 46 19.553 -7.666 -8.661
307 HA2 GLY 46 1HA GLY 46 17.492 -6.321 -10.217
308 HA3 GLY 46 2HA GLY 46 19.211 -6.364 -10.579
Start of MODEL 15
1 H1 GLY 1 H GLY 1 7.090 -16.765 23.310
2 HA2 GLY 1 1HA GLY 1 7.112 -18.463 20.919
3 HA3 GLY 1 2HA GLY 1 5.716 -18.127 21.934
4 H SER 2 H SER 2 4.236 -16.920 20.980
5 HA SER 2 HA SER 2 3.228 -15.499 19.507
6 HB2 SER 2 1HB SER 2 4.272 -13.890 21.092
7 HB3 SER 2 2HB SER 2 5.683 -13.807 20.038
8 HG SER 2 HG SER 2 3.701 -12.250 19.865
9 H SER 3 H SER 3 4.655 -17.512 18.240
10 HA SER 3 HA SER 3 5.989 -16.181 15.989
11 HB2 SER 3 1HB SER 3 5.939 -19.097 16.801
12 HB3 SER 3 2HB SER 3 6.785 -18.459 15.392
13 HG SER 3 HG SER 3 7.341 -17.208 17.797
14 H GLY 4 H GLY 4 5.003 -15.986 14.086
15 HA2 GLY 4 1HA GLY 4 2.928 -17.895 13.318
16 HA3 GLY 4 2HA GLY 4 2.447 -16.211 13.458
17 H SER 5 H SER 5 3.494 -18.538 11.354
18 HA SER 5 HA SER 5 5.293 -17.303 9.656
19 HB2 SER 5 1HB SER 5 3.071 -19.270 9.129
20 HB3 SER 5 2HB SER 5 4.130 -18.705 7.837
21 HG SER 5 HG SER 5 5.796 -19.740 8.720
22 H SER 6 H SER 6 4.615 -16.701 7.282
23 HA SER 6 HA SER 6 2.386 -14.780 7.409
24 HB2 SER 6 1HB SER 6 5.082 -14.326 6.104
25 HB3 SER 6 2HB SER 6 3.724 -13.202 6.076
26 HG SER 6 HG SER 6 4.434 -14.037 8.593
27 H GLY 7 H GLY 7 2.100 -17.351 6.406
28 HA2 GLY 7 1HA GLY 7 2.499 -17.426 3.572
29 HA3 GLY 7 2HA GLY 7 1.544 -18.556 4.519
30 H THR 8 H THR 8 -0.540 -17.457 5.437
31 HA THR 8 HA THR 8 -2.305 -17.019 3.399
32 HB THR 8 HB THR 8 -3.053 -17.448 5.679
33 HG1 THR 8 HG1 THR 8 -4.507 -16.386 4.231
34 HG21 THR 8 3HG2 THR 8 -1.599 -14.945 6.205
35 HG22 THR 8 1HG2 THR 8 -1.913 -16.317 7.266
36 HG23 THR 8 2HG2 THR 8 -3.155 -15.090 7.020
37 H GLY 9 H GLY 9 -3.293 -15.204 2.454
38 HA2 GLY 9 1HA GLY 9 -3.032 -12.561 2.908
39 HA3 GLY 9 2HA GLY 9 -1.505 -12.950 2.129
40 H GLU 10 H GLU 10 -4.961 -13.697 1.639
41 HA GLU 10 HA GLU 10 -4.598 -13.692 -1.227
42 HB2 GLU 10 1HB GLU 10 -7.051 -14.049 0.500
43 HB3 GLU 10 2HB GLU 10 -7.064 -14.145 -1.255
44 HG2 GLU 10 1HG GLU 10 -6.868 -16.294 0.249
45 HG3 GLU 10 2HG GLU 10 -6.033 -16.166 -1.298
46 H LYS 11 H LYS 11 -4.653 -11.257 0.833
47 HA LYS 11 HA LYS 11 -6.679 -9.515 0.027
48 HB2 LYS 11 1HB LYS 11 -3.974 -9.168 1.244
49 HB3 LYS 11 2HB LYS 11 -4.809 -7.743 0.638
50 HG2 LYS 11 1HG LYS 11 -5.360 -7.860 2.908
51 HG3 LYS 11 2HG LYS 11 -6.780 -8.480 2.061
52 HD2 LYS 11 1HD LYS 11 -5.688 -10.797 2.414
53 HD3 LYS 11 2HD LYS 11 -4.714 -9.976 3.636
54 HE2 LYS 11 1HE LYS 11 -6.453 -10.655 4.944
55 HE3 LYS 11 2HE LYS 11 -7.089 -9.099 4.410
56 HZ1 LYS 11 3HZ LYS 11 -8.258 -10.299 2.615
57 HZ2 LYS 11 1HZ LYS 11 -8.773 -10.757 4.161
58 HZ3 LYS 11 2HZ LYS 11 -7.740 -11.766 3.280
59 HA PRO 12 HA PRO 12 -5.600 -8.388 -4.089
60 HB2 PRO 12 1HB PRO 12 -6.825 -5.969 -4.214
61 HB3 PRO 12 2HB PRO 12 -7.712 -7.497 -4.240
62 HG2 PRO 12 1HG PRO 12 -7.229 -5.626 -1.954
63 HG3 PRO 12 2HG PRO 12 -8.717 -6.476 -2.409
64 HD2 PRO 12 1HD PRO 12 -7.096 -7.340 -0.420
65 HD3 PRO 12 2HD PRO 12 -8.035 -8.451 -1.436
66 H PHE 13 H PHE 13 -4.903 -6.228 -1.412
67 HA PHE 13 HA PHE 13 -2.700 -5.067 -2.989
68 HB2 PHE 13 1HB PHE 13 -4.114 -3.706 -0.693
69 HB3 PHE 13 2HB PHE 13 -2.948 -2.996 -1.805
70 HD1 PHE 13 HD1 PHE 13 -3.588 -2.599 -4.169
71 HD2 PHE 13 HD2 PHE 13 -6.410 -3.832 -1.231
72 HE1 PHE 13 HE1 PHE 13 -5.426 -1.868 -5.632
73 HE2 PHE 13 HE2 PHE 13 -8.252 -3.104 -2.690
74 HZ PHE 13 HZ PHE 13 -7.762 -2.121 -4.894
75 H GLU 14 H GLU 14 -0.719 -5.442 -2.245
76 HA GLU 14 HA GLU 14 -0.328 -5.954 0.613
77 HB2 GLU 14 1HB GLU 14 -0.551 -8.127 -0.665
78 HB3 GLU 14 2HB GLU 14 0.925 -7.690 -1.515
79 HG2 GLU 14 1HG GLU 14 2.117 -7.618 0.632
80 HG3 GLU 14 2HG GLU 14 0.638 -8.119 1.450
81 H CYS 15 H CYS 15 1.495 -5.085 1.436
82 HA CYS 15 HA CYS 15 2.889 -3.110 0.062
83 HB2 CYS 15 1HB CYS 15 2.709 -3.715 2.636
84 HB3 CYS 15 2HB CYS 15 4.235 -4.532 2.316
85 H SER 16 H SER 16 5.458 -3.205 0.091
86 HA SER 16 HA SER 16 6.254 -5.661 -1.331
87 HB2 SER 16 1HB SER 16 5.999 -3.864 -2.947
88 HB3 SER 16 2HB SER 16 7.016 -2.802 -1.974
89 HG SER 16 HG SER 16 8.683 -4.480 -2.290
90 H GLU 17 H GLU 17 6.984 -3.304 1.063
91 HA GLU 17 HA GLU 17 9.751 -4.160 1.338
92 HB2 GLU 17 1HB GLU 17 8.073 -1.993 2.526
93 HB3 GLU 17 2HB GLU 17 9.505 -2.524 3.397
94 HG2 GLU 17 1HG GLU 17 10.055 -0.623 2.046
95 HG3 GLU 17 2HG GLU 17 10.864 -2.049 1.399
96 H CYS 18 H CYS 18 6.977 -3.866 3.566
97 HA CYS 18 HA CYS 18 8.140 -5.939 5.256
98 HB2 CYS 18 1HB CYS 18 6.461 -5.307 6.890
99 HB3 CYS 18 2HB CYS 18 7.261 -3.860 6.284
100 H GLN 19 H GLN 19 5.942 -5.689 2.723
101 HA GLN 19 HA GLN 19 4.531 -7.174 1.735
102 HB2 GLN 19 1HB GLN 19 5.702 -9.131 3.719
103 HB3 GLN 19 2HB GLN 19 4.742 -9.557 2.308
104 HG2 GLN 19 1HG GLN 19 7.379 -8.114 2.192
105 HG3 GLN 19 2HG GLN 19 7.184 -9.856 2.009
106 HE21 GLN 19 1HE2 GLN 19 5.198 -10.267 0.396
107 HE22 GLN 19 2HE2 GLN 19 5.390 -9.470 -1.125
108 H LYS 20 H LYS 20 3.524 -5.524 3.766
109 HA LYS 20 HA LYS 20 1.834 -7.084 5.502
110 HB2 LYS 20 1HB LYS 20 2.667 -4.939 6.277
111 HB3 LYS 20 2HB LYS 20 1.916 -4.120 4.913
112 HG2 LYS 20 1HG LYS 20 0.358 -3.684 6.499
113 HG3 LYS 20 2HG LYS 20 -0.265 -5.232 5.923
114 HD2 LYS 20 1HD LYS 20 1.740 -5.279 8.113
115 HD3 LYS 20 2HD LYS 20 0.111 -4.727 8.506
116 HE2 LYS 20 1HE LYS 20 -0.804 -6.802 7.568
117 HE3 LYS 20 2HE LYS 20 0.831 -7.352 7.204
118 HZ1 LYS 20 3HZ LYS 20 -0.546 -7.192 9.771
119 HZ2 LYS 20 1HZ LYS 20 1.112 -6.855 9.770
120 HZ3 LYS 20 2HZ LYS 20 0.551 -8.346 9.202
121 H ALA 21 H ALA 21 -0.407 -7.282 5.394
122 HA ALA 21 HA ALA 21 -1.490 -7.147 2.696
123 HB1 ALA 21 3HB ALA 21 -3.494 -8.204 4.170
124 HB2 ALA 21 1HB ALA 21 -2.188 -9.147 3.451
125 HB3 ALA 21 2HB ALA 21 -2.096 -8.659 5.144
126 H PHE 22 H PHE 22 -3.276 -5.967 2.088
127 HA PHE 22 HA PHE 22 -4.466 -4.163 4.069
128 HB2 PHE 22 1HB PHE 22 -3.201 -3.357 1.453
129 HB3 PHE 22 2HB PHE 22 -4.376 -2.341 2.282
130 HD1 PHE 22 HD1 PHE 22 -3.825 -1.262 4.385
131 HD2 PHE 22 HD2 PHE 22 -0.975 -3.652 2.316
132 HE1 PHE 22 HE1 PHE 22 -2.027 -0.309 5.768
133 HE2 PHE 22 HE2 PHE 22 0.827 -2.703 3.696
134 HZ PHE 22 HZ PHE 22 0.303 -1.030 5.425
135 H ASN 23 H ASN 23 -6.327 -2.881 2.885
136 HA ASN 23 HA ASN 23 -7.902 -4.894 1.427
137 HB2 ASN 23 1HB ASN 23 -8.764 -4.168 3.664
138 HB3 ASN 23 2HB ASN 23 -8.934 -2.538 3.019
139 HD21 ASN 23 1HD2 ASN 23 -9.867 -5.884 2.321
140 HD22 ASN 23 2HD2 ASN 23 -11.445 -5.501 1.730
141 H THR 24 H THR 24 -7.210 -1.419 1.603
142 HA THR 24 HA THR 24 -8.101 -1.184 -1.198
143 HB THR 24 HB THR 24 -8.506 1.221 -0.734
144 HG1 THR 24 HG1 THR 24 -8.677 1.689 1.624
145 HG21 THR 24 3HG2 THR 24 -10.475 -0.006 -0.668
146 HG22 THR 24 1HG2 THR 24 -10.472 0.779 0.910
147 HG23 THR 24 2HG2 THR 24 -9.984 -0.910 0.764
148 H LYS 25 H LYS 25 -6.954 0.412 -2.504
149 HA LYS 25 HA LYS 25 -4.142 0.115 -2.297
150 HB2 LYS 25 1HB LYS 25 -5.241 0.332 -4.461
151 HB3 LYS 25 2HB LYS 25 -5.801 1.946 -4.041
152 HG2 LYS 25 1HG LYS 25 -3.994 2.513 -5.280
153 HG3 LYS 25 2HG LYS 25 -3.200 2.348 -3.712
154 HD2 LYS 25 1HD LYS 25 -3.435 -0.060 -5.449
155 HD3 LYS 25 2HD LYS 25 -2.240 1.169 -5.869
156 HE2 LYS 25 1HE LYS 25 -1.391 1.010 -3.515
157 HE3 LYS 25 2HE LYS 25 -2.464 -0.370 -3.288
158 HZ1 LYS 25 3HZ LYS 25 -0.573 -0.362 -5.539
159 HZ2 LYS 25 1HZ LYS 25 -1.236 -1.674 -4.701
160 HZ3 LYS 25 2HZ LYS 25 -0.015 -0.745 -3.989
161 H SER 26 H SER 26 -6.139 3.073 -2.181
162 HA SER 26 HA SER 26 -4.321 4.954 -1.541
163 HB2 SER 26 1HB SER 26 -7.096 4.563 -0.425
164 HB3 SER 26 2HB SER 26 -6.130 5.991 -0.053
165 HG SER 26 HG SER 26 -7.347 6.487 -1.830
166 H ASN 27 H ASN 27 -5.697 2.606 0.719
167 HA ASN 27 HA ASN 27 -4.496 3.593 3.057
168 HB2 ASN 27 1HB ASN 27 -5.669 0.977 2.224
169 HB3 ASN 27 2HB ASN 27 -4.711 1.027 3.702
170 HD21 ASN 27 1HD2 ASN 27 -7.256 2.909 2.093
171 HD22 ASN 27 2HD2 ASN 27 -8.192 3.178 3.520
172 H LEU 28 H LEU 28 -3.448 0.983 0.872
173 HA LEU 28 HA LEU 28 -1.044 0.402 2.201
174 HB2 LEU 28 1HB LEU 28 -1.932 -1.153 0.628
175 HB3 LEU 28 2HB LEU 28 -1.887 0.043 -0.666
176 HG LEU 28 HG LEU 28 0.566 -0.027 -0.635
177 HD11 LEU 28 1HD1 LEU 28 0.308 -2.317 1.300
178 HD12 LEU 28 2HD1 LEU 28 0.723 -0.673 1.786
179 HD13 LEU 28 3HD1 LEU 28 1.786 -1.566 0.698
180 HD21 LEU 28 3HD2 LEU 28 0.277 -1.558 -2.214
181 HD22 LEU 28 1HD2 LEU 28 -1.204 -2.126 -1.443
182 HD23 LEU 28 2HD2 LEU 28 0.352 -2.812 -0.976
183 H ILE 29 H ILE 29 -1.744 2.589 -0.502
184 HA ILE 29 HA ILE 29 0.802 3.393 -1.173
185 HB ILE 29 HB ILE 29 -1.720 5.047 -1.078
186 HG12 ILE 29 1HG1 ILE 29 -0.322 3.798 -3.446
187 HG13 ILE 29 2HG1 ILE 29 -1.626 3.006 -2.569
188 HG21 ILE 29 1HG2 ILE 29 1.039 5.712 -1.965
189 HG22 ILE 29 2HG2 ILE 29 -0.319 6.338 -2.899
190 HG23 ILE 29 3HG2 ILE 29 -0.174 6.728 -1.186
191 HD11 ILE 29 3HD1 ILE 29 -3.217 4.394 -3.407
192 HD12 ILE 29 1HD1 ILE 29 -2.103 5.749 -3.587
193 HD13 ILE 29 2HD1 ILE 29 -2.068 4.418 -4.745
194 H VAL 30 H VAL 30 -1.309 4.820 1.315
195 HA VAL 30 HA VAL 30 0.515 6.769 2.200
196 HB VAL 30 HB VAL 30 -1.735 5.422 3.701
197 HG11 VAL 30 1HG1 VAL 30 -0.107 6.416 5.236
198 HG12 VAL 30 2HG1 VAL 30 -0.234 7.951 4.376
199 HG13 VAL 30 3HG1 VAL 30 -1.629 7.307 5.243
200 HG21 VAL 30 3HG2 VAL 30 -2.613 6.559 1.814
201 HG22 VAL 30 1HG2 VAL 30 -2.881 7.615 3.201
202 HG23 VAL 30 2HG2 VAL 30 -1.564 7.952 2.077
203 H HIS 31 H HIS 31 0.323 3.373 2.773
204 HA HIS 31 HA HIS 31 2.082 3.501 5.094
205 HB2 HIS 31 1HB HIS 31 0.357 1.886 5.325
206 HB3 HIS 31 2HB HIS 31 0.643 1.240 3.712
207 HD1 HIS 31 HD1 HIS 31 1.814 1.012 7.227
208 HD2 HIS 31 HD2 HIS 31 2.871 -0.497 3.503
209 HE1 HIS 31 HE1 HIS 31 3.423 -0.863 7.694
210 H GLN 32 H GLN 32 2.261 3.119 1.707
211 HA GLN 32 HA GLN 32 4.802 1.717 1.752
212 HB2 GLN 32 1HB GLN 32 2.879 2.582 -0.347
213 HB3 GLN 32 2HB GLN 32 4.563 2.388 -0.818
214 HG2 GLN 32 1HG GLN 32 4.281 0.081 0.427
215 HG3 GLN 32 2HG GLN 32 2.582 0.354 0.042
216 HE21 GLN 32 1HE2 GLN 32 3.801 -1.796 -1.015
217 HE22 GLN 32 2HE2 GLN 32 4.064 -1.579 -2.708
218 H ARG 33 H ARG 33 3.575 4.964 1.350
219 HA ARG 33 HA ARG 33 5.831 6.181 0.229
220 HB2 ARG 33 1HB ARG 33 4.929 8.281 1.141
221 HB3 ARG 33 2HB ARG 33 3.681 7.316 0.364
222 HG2 ARG 33 1HG ARG 33 2.901 6.550 2.541
223 HG3 ARG 33 2HG ARG 33 4.168 7.492 3.331
224 HD2 ARG 33 1HD ARG 33 2.102 8.720 1.521
225 HD3 ARG 33 2HD ARG 33 1.865 8.541 3.259
226 HE ARG 33 HE ARG 33 3.415 10.218 3.627
227 HH11 ARG 33 1HH1 ARG 33 3.341 9.345 0.258
228 HH12 ARG 33 2HH1 ARG 33 4.270 10.716 -0.252
229 HH21 ARG 33 1HH2 ARG 33 4.639 12.026 2.969
230 HH22 ARG 33 2HH2 ARG 33 5.009 12.240 1.291
231 H THR 34 H THR 34 5.068 5.315 3.539
232 HA THR 34 HA THR 34 7.261 6.757 4.693
233 HB THR 34 HB THR 34 5.271 6.267 6.029
234 HG1 THR 34 HG1 THR 34 7.344 4.737 7.189
235 HG21 THR 34 3HG2 THR 34 6.124 3.377 5.827
236 HG22 THR 34 1HG2 THR 34 4.718 4.085 5.033
237 HG23 THR 34 2HG2 THR 34 4.789 4.003 6.794
238 H HIS 35 H HIS 35 6.921 3.762 3.093
239 HA HIS 35 HA HIS 35 9.134 2.439 4.369
240 HB2 HIS 35 1HB HIS 35 7.273 1.831 2.127
241 HB3 HIS 35 2HB HIS 35 8.825 0.999 2.140
242 HD1 HIS 35 HD1 HIS 35 9.210 0.270 5.010
243 HD2 HIS 35 HD2 HIS 35 5.503 0.067 3.145
244 HE1 HIS 35 HE1 HIS 35 7.863 -1.360 6.369
245 H THR 36 H THR 36 10.200 4.758 3.789
246 HA THR 36 HA THR 36 11.669 4.431 1.259
247 HB THR 36 HB THR 36 12.357 6.906 1.899
248 HG1 THR 36 HG1 THR 36 9.739 6.974 2.908
249 HG21 THR 36 3HG2 THR 36 11.283 6.567 -0.148
250 HG22 THR 36 1HG2 THR 36 10.196 7.660 0.709
251 HG23 THR 36 2HG2 THR 36 9.823 5.938 0.615
252 H GLY 37 H GLY 37 12.391 2.867 3.488
253 HA2 GLY 37 1HA GLY 37 14.222 2.276 4.742
254 HA3 GLY 37 2HA GLY 37 15.144 3.215 3.578
255 H GLU 38 H GLU 38 12.681 4.432 5.795
256 HA GLU 38 HA GLU 38 14.664 6.284 6.880
257 HB2 GLU 38 1HB GLU 38 12.521 7.184 6.040
258 HB3 GLU 38 2HB GLU 38 11.662 6.228 7.240
259 HG2 GLU 38 1HG GLU 38 13.105 7.482 8.960
260 HG3 GLU 38 2HG GLU 38 13.422 8.611 7.643
261 H LYS 39 H LYS 39 15.766 4.734 8.186
262 HA LYS 39 HA LYS 39 14.357 3.359 10.287
263 HB2 LYS 39 1HB LYS 39 17.315 3.712 9.773
264 HB3 LYS 39 2HB LYS 39 16.631 2.673 11.016
265 HG2 LYS 39 1HG LYS 39 15.345 1.626 8.981
266 HG3 LYS 39 2HG LYS 39 16.684 2.321 8.064
267 HD2 LYS 39 1HD LYS 39 17.504 0.222 8.550
268 HD3 LYS 39 2HD LYS 39 18.152 1.167 9.893
269 HE2 LYS 39 1HE LYS 39 16.009 0.476 11.135
270 HE3 LYS 39 2HE LYS 39 15.841 -0.745 9.876
271 HZ1 LYS 39 3HZ LYS 39 17.772 -0.573 12.048
272 HZ2 LYS 39 1HZ LYS 39 18.355 -1.155 10.570
273 HZ3 LYS 39 2HZ LYS 39 17.063 -1.933 11.334
274 HA PRO 40 HA PRO 40 14.434 6.726 13.162
275 HB2 PRO 40 1HB PRO 40 13.715 5.305 15.360
276 HB3 PRO 40 2HB PRO 40 12.569 5.759 14.093
277 HG2 PRO 40 1HG PRO 40 13.977 3.153 14.528
278 HG3 PRO 40 2HG PRO 40 12.285 3.451 14.088
279 HD2 PRO 40 1HD PRO 40 14.159 2.735 12.269
280 HD3 PRO 40 2HD PRO 40 12.792 3.794 11.866
281 H SER 41 H SER 41 16.047 7.620 14.288
282 HA SER 41 HA SER 41 18.063 7.882 15.315
283 HB2 SER 41 1HB SER 41 16.766 6.909 17.189
284 HB3 SER 41 2HB SER 41 17.285 5.299 16.691
285 HG SER 41 HG SER 41 19.079 7.387 17.371
286 H GLY 42 H GLY 42 18.235 6.710 12.799
287 HA2 GLY 42 1HA GLY 42 20.323 4.655 13.136
288 HA3 GLY 42 2HA GLY 42 19.365 4.884 11.681
289 HA PRO 43 HA PRO 43 22.657 8.453 11.898
290 HB2 PRO 43 1HB PRO 43 24.763 7.971 13.542
291 HB3 PRO 43 2HB PRO 43 23.310 8.829 14.069
292 HG2 PRO 43 1HG PRO 43 24.070 5.962 14.475
293 HG3 PRO 43 2HG PRO 43 23.348 7.102 15.626
294 HD2 PRO 43 1HD PRO 43 21.889 5.234 14.316
295 HD3 PRO 43 2HD PRO 43 21.227 6.818 14.770
296 H SER 44 H SER 44 23.552 8.121 9.960
297 HA SER 44 HA SER 44 24.820 5.691 9.203
298 HB2 SER 44 1HB SER 44 23.645 7.582 7.764
299 HB3 SER 44 2HB SER 44 25.289 8.211 7.668
300 HG SER 44 HG SER 44 25.818 5.939 7.024
301 H SER 45 H SER 45 27.040 5.507 8.413
302 HA SER 45 HA SER 45 28.990 5.824 10.205
303 HB2 SER 45 1HB SER 45 29.404 4.678 8.110
304 HB3 SER 45 2HB SER 45 29.297 6.195 7.216
305 HG SER 45 HG SER 45 31.372 5.166 8.729
306 H GLY 46 H GLY 46 28.293 8.287 7.720
307 HA2 GLY 46 1HA GLY 46 29.783 10.229 9.369
308 HA3 GLY 46 2HA GLY 46 29.549 10.362 7.632
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -0.438 -20.468 25.922
2 HA2 GLY 1 1HA GLY 1 1.750 -20.091 25.335
3 HA3 GLY 1 2HA GLY 1 1.585 -21.414 24.190
4 H SER 2 H SER 2 3.082 -19.938 22.981
5 HA SER 2 HA SER 2 2.037 -17.518 21.880
6 HB2 SER 2 1HB SER 2 4.041 -17.568 20.441
7 HB3 SER 2 2HB SER 2 4.452 -17.858 22.131
8 HG SER 2 HG SER 2 5.140 -19.342 20.148
9 H SER 3 H SER 3 0.063 -18.038 20.924
10 HA SER 3 HA SER 3 -0.307 -20.120 19.055
11 HB2 SER 3 1HB SER 3 -2.203 -19.104 20.197
12 HB3 SER 3 2HB SER 3 -1.859 -17.549 19.441
13 HG SER 3 HG SER 3 -2.050 -19.127 17.437
14 H GLY 4 H GLY 4 -0.144 -20.201 16.862
15 HA2 GLY 4 1HA GLY 4 1.622 -18.353 15.596
16 HA3 GLY 4 2HA GLY 4 0.789 -19.691 14.819
17 H SER 5 H SER 5 0.432 -18.335 12.992
18 HA SER 5 HA SER 5 -2.005 -16.775 13.245
19 HB2 SER 5 1HB SER 5 -1.137 -14.784 12.217
20 HB3 SER 5 2HB SER 5 -0.094 -15.169 13.586
21 HG SER 5 HG SER 5 1.073 -14.638 11.662
22 H SER 6 H SER 6 -2.625 -15.929 10.952
23 HA SER 6 HA SER 6 -1.769 -17.780 8.856
24 HB2 SER 6 1HB SER 6 -4.064 -18.362 8.267
25 HB3 SER 6 2HB SER 6 -3.745 -18.811 9.943
26 HG SER 6 HG SER 6 -5.489 -16.949 8.915
27 H GLY 7 H GLY 7 -1.460 -16.752 6.989
28 HA2 GLY 7 1HA GLY 7 -3.142 -14.807 5.883
29 HA3 GLY 7 2HA GLY 7 -1.846 -13.973 6.729
30 H THR 8 H THR 8 -2.766 -15.628 3.897
31 HA THR 8 HA THR 8 0.001 -15.461 2.891
32 HB THR 8 HB THR 8 -0.597 -17.293 1.301
33 HG1 THR 8 HG1 THR 8 -2.947 -16.948 1.646
34 HG21 THR 8 3HG2 THR 8 0.686 -17.863 3.247
35 HG22 THR 8 1HG2 THR 8 -0.531 -19.116 3.012
36 HG23 THR 8 2HG2 THR 8 -0.761 -17.887 4.255
37 H GLY 9 H GLY 9 -0.370 -13.330 2.134
38 HA2 GLY 9 1HA GLY 9 -1.297 -11.692 0.760
39 HA3 GLY 9 2HA GLY 9 -0.837 -12.878 -0.452
40 H GLU 10 H GLU 10 -3.434 -12.977 1.968
41 HA GLU 10 HA GLU 10 -5.310 -13.801 -0.070
42 HB2 GLU 10 1HB GLU 10 -5.210 -14.715 2.307
43 HB3 GLU 10 2HB GLU 10 -5.933 -13.196 2.817
44 HG2 GLU 10 1HG GLU 10 -7.820 -14.417 2.597
45 HG3 GLU 10 2HG GLU 10 -7.689 -13.836 0.938
46 H LYS 11 H LYS 11 -4.105 -10.935 0.426
47 HA LYS 11 HA LYS 11 -6.678 -9.512 0.223
48 HB2 LYS 11 1HB LYS 11 -4.071 -8.777 1.479
49 HB3 LYS 11 2HB LYS 11 -5.055 -7.495 0.785
50 HG2 LYS 11 1HG LYS 11 -5.571 -7.642 3.100
51 HG3 LYS 11 2HG LYS 11 -6.950 -8.280 2.202
52 HD2 LYS 11 1HD LYS 11 -5.978 -10.578 2.571
53 HD3 LYS 11 2HD LYS 11 -4.833 -9.827 3.685
54 HE2 LYS 11 1HE LYS 11 -7.806 -9.487 3.965
55 HE3 LYS 11 2HE LYS 11 -6.946 -10.845 4.688
56 HZ1 LYS 11 3HZ LYS 11 -6.186 -8.027 5.191
57 HZ2 LYS 11 1HZ LYS 11 -5.703 -9.404 6.047
58 HZ3 LYS 11 2HZ LYS 11 -7.300 -8.856 6.157
59 HA PRO 12 HA PRO 12 -5.671 -8.352 -3.894
60 HB2 PRO 12 1HB PRO 12 -7.007 -5.995 -4.070
61 HB3 PRO 12 2HB PRO 12 -7.823 -7.563 -4.054
62 HG2 PRO 12 1HG PRO 12 -7.415 -5.617 -1.816
63 HG3 PRO 12 2HG PRO 12 -8.865 -6.545 -2.241
64 HD2 PRO 12 1HD PRO 12 -7.195 -7.286 -0.242
65 HD3 PRO 12 2HD PRO 12 -8.088 -8.463 -1.226
66 H PHE 13 H PHE 13 -4.704 -6.499 -1.191
67 HA PHE 13 HA PHE 13 -2.698 -5.132 -2.843
68 HB2 PHE 13 1HB PHE 13 -4.141 -3.815 -0.536
69 HB3 PHE 13 2HB PHE 13 -2.957 -3.074 -1.607
70 HD1 PHE 13 HD1 PHE 13 -3.546 -2.595 -3.955
71 HD2 PHE 13 HD2 PHE 13 -6.422 -4.011 -1.155
72 HE1 PHE 13 HE1 PHE 13 -5.358 -1.862 -5.450
73 HE2 PHE 13 HE2 PHE 13 -8.238 -3.281 -2.645
74 HZ PHE 13 HZ PHE 13 -7.707 -2.205 -4.797
75 H GLU 14 H GLU 14 -0.700 -5.499 -2.150
76 HA GLU 14 HA GLU 14 -0.230 -5.970 0.704
77 HB2 GLU 14 1HB GLU 14 -0.460 -8.165 -0.505
78 HB3 GLU 14 2HB GLU 14 0.954 -7.723 -1.452
79 HG2 GLU 14 1HG GLU 14 2.103 -7.428 0.843
80 HG3 GLU 14 2HG GLU 14 0.763 -8.398 1.451
81 H CYS 15 H CYS 15 1.648 -5.139 1.470
82 HA CYS 15 HA CYS 15 2.979 -3.150 0.020
83 HB2 CYS 15 1HB CYS 15 2.841 -3.689 2.614
84 HB3 CYS 15 2HB CYS 15 4.372 -4.497 2.291
85 H SER 16 H SER 16 5.501 -3.177 -0.102
86 HA SER 16 HA SER 16 6.302 -5.675 -1.447
87 HB2 SER 16 1HB SER 16 5.950 -3.597 -2.903
88 HB3 SER 16 2HB SER 16 7.392 -2.944 -2.125
89 HG SER 16 HG SER 16 7.208 -5.343 -3.631
90 H GLU 17 H GLU 17 7.137 -3.191 0.822
91 HA GLU 17 HA GLU 17 9.884 -4.062 1.092
92 HB2 GLU 17 1HB GLU 17 8.195 -1.970 2.430
93 HB3 GLU 17 2HB GLU 17 9.754 -2.426 3.104
94 HG2 GLU 17 1HG GLU 17 9.608 -1.704 0.225
95 HG3 GLU 17 2HG GLU 17 9.517 -0.420 1.429
96 H CYS 18 H CYS 18 7.054 -3.931 3.261
97 HA CYS 18 HA CYS 18 8.304 -5.985 4.937
98 HB2 CYS 18 1HB CYS 18 6.714 -5.356 6.648
99 HB3 CYS 18 2HB CYS 18 7.479 -3.901 6.018
100 H GLN 19 H GLN 19 5.927 -5.596 2.549
101 HA GLN 19 HA GLN 19 4.431 -7.022 1.599
102 HB2 GLN 19 1HB GLN 19 6.226 -8.857 3.103
103 HB3 GLN 19 2HB GLN 19 4.705 -9.514 2.513
104 HG2 GLN 19 1HG GLN 19 5.269 -9.093 0.272
105 HG3 GLN 19 2HG GLN 19 6.607 -8.039 0.725
106 HE21 GLN 19 1HE2 GLN 19 8.461 -8.948 0.235
107 HE22 GLN 19 2HE2 GLN 19 8.872 -10.613 0.445
108 H LYS 20 H LYS 20 3.280 -5.532 3.417
109 HA LYS 20 HA LYS 20 1.933 -7.156 5.414
110 HB2 LYS 20 1HB LYS 20 2.718 -4.778 5.814
111 HB3 LYS 20 2HB LYS 20 1.418 -4.257 4.751
112 HG2 LYS 20 1HG LYS 20 -0.229 -4.848 6.250
113 HG3 LYS 20 2HG LYS 20 0.805 -6.007 7.089
114 HD2 LYS 20 1HD LYS 20 1.440 -3.078 7.126
115 HD3 LYS 20 2HD LYS 20 0.253 -3.758 8.242
116 HE2 LYS 20 1HE LYS 20 2.099 -5.476 8.795
117 HE3 LYS 20 2HE LYS 20 3.191 -4.321 8.031
118 HZ1 LYS 20 3HZ LYS 20 2.134 -2.640 9.616
119 HZ2 LYS 20 1HZ LYS 20 3.235 -3.749 10.265
120 HZ3 LYS 20 2HZ LYS 20 1.573 -3.984 10.477
121 H ALA 21 H ALA 21 -0.515 -6.752 5.625
122 HA ALA 21 HA ALA 21 -1.718 -7.187 2.974
123 HB1 ALA 21 3HB ALA 21 -2.534 -8.160 5.703
124 HB2 ALA 21 1HB ALA 21 -3.560 -8.302 4.275
125 HB3 ALA 21 2HB ALA 21 -1.997 -9.118 4.323
126 H PHE 22 H PHE 22 -3.319 -5.900 2.260
127 HA PHE 22 HA PHE 22 -4.578 -4.032 4.139
128 HB2 PHE 22 1HB PHE 22 -3.132 -3.335 1.594
129 HB3 PHE 22 2HB PHE 22 -4.396 -2.293 2.240
130 HD1 PHE 22 HD1 PHE 22 -4.084 -1.142 4.376
131 HD2 PHE 22 HD2 PHE 22 -0.986 -3.480 2.631
132 HE1 PHE 22 HE1 PHE 22 -2.444 -0.077 5.870
133 HE2 PHE 22 HE2 PHE 22 0.659 -2.420 4.122
134 HZ PHE 22 HZ PHE 22 -0.069 -0.717 5.745
135 H ASN 23 H ASN 23 -6.475 -2.892 3.073
136 HA ASN 23 HA ASN 23 -7.968 -4.881 1.514
137 HB2 ASN 23 1HB ASN 23 -9.936 -3.324 2.243
138 HB3 ASN 23 2HB ASN 23 -9.228 -4.432 3.415
139 HD21 ASN 23 1HD2 ASN 23 -10.390 -1.456 3.127
140 HD22 ASN 23 2HD2 ASN 23 -9.437 -0.620 4.301
141 H THR 24 H THR 24 -7.277 -1.405 1.659
142 HA THR 24 HA THR 24 -8.144 -1.192 -1.151
143 HB THR 24 HB THR 24 -8.465 1.226 -0.734
144 HG1 THR 24 HG1 THR 24 -7.478 0.474 1.778
145 HG21 THR 24 3HG2 THR 24 -10.584 0.954 0.054
146 HG22 THR 24 1HG2 THR 24 -10.069 -0.041 1.415
147 HG23 THR 24 2HG2 THR 24 -10.189 -0.746 -0.197
148 H LYS 25 H LYS 25 -6.949 0.349 -2.487
149 HA LYS 25 HA LYS 25 -4.126 -0.022 -2.210
150 HB2 LYS 25 1HB LYS 25 -5.052 -0.049 -4.420
151 HB3 LYS 25 2HB LYS 25 -5.800 1.526 -4.188
152 HG2 LYS 25 1HG LYS 25 -3.839 2.661 -4.498
153 HG3 LYS 25 2HG LYS 25 -2.843 1.308 -3.958
154 HD2 LYS 25 1HD LYS 25 -4.444 1.077 -6.475
155 HD3 LYS 25 2HD LYS 25 -2.906 1.944 -6.484
156 HE2 LYS 25 1HE LYS 25 -1.780 -0.037 -5.607
157 HE3 LYS 25 2HE LYS 25 -3.316 -0.902 -5.567
158 HZ1 LYS 25 3HZ LYS 25 -2.747 -1.582 -7.598
159 HZ2 LYS 25 1HZ LYS 25 -1.558 -0.393 -7.783
160 HZ3 LYS 25 2HZ LYS 25 -3.174 -0.031 -8.122
161 H SER 26 H SER 26 -6.198 2.880 -2.286
162 HA SER 26 HA SER 26 -4.388 4.858 -1.878
163 HB2 SER 26 1HB SER 26 -6.175 6.046 -0.559
164 HB3 SER 26 2HB SER 26 -6.722 5.393 -2.103
165 HG SER 26 HG SER 26 -8.235 4.766 -0.656
166 H ASN 27 H ASN 27 -5.766 2.772 0.640
167 HA ASN 27 HA ASN 27 -4.465 3.977 2.824
168 HB2 ASN 27 1HB ASN 27 -5.760 1.324 2.341
169 HB3 ASN 27 2HB ASN 27 -4.798 1.546 3.799
170 HD21 ASN 27 1HD2 ASN 27 -5.533 2.876 5.412
171 HD22 ASN 27 2HD2 ASN 27 -7.133 3.527 5.439
172 H LEU 28 H LEU 28 -3.559 1.218 0.786
173 HA LEU 28 HA LEU 28 -1.223 0.494 2.144
174 HB2 LEU 28 1HB LEU 28 -2.121 -1.001 0.544
175 HB3 LEU 28 2HB LEU 28 -2.055 0.215 -0.731
176 HG LEU 28 HG LEU 28 0.445 0.093 -0.597
177 HD11 LEU 28 1HD1 LEU 28 0.155 -2.513 0.814
178 HD12 LEU 28 2HD1 LEU 28 0.216 -1.028 1.763
179 HD13 LEU 28 3HD1 LEU 28 1.552 -1.444 0.689
180 HD21 LEU 28 3HD2 LEU 28 0.007 -1.128 -2.407
181 HD22 LEU 28 1HD2 LEU 28 -1.415 -1.860 -1.662
182 HD23 LEU 28 2HD2 LEU 28 0.183 -2.549 -1.376
183 H ILE 29 H ILE 29 -1.582 2.544 -0.752
184 HA ILE 29 HA ILE 29 0.975 3.261 -1.264
185 HB ILE 29 HB ILE 29 -1.372 5.161 -1.207
186 HG12 ILE 29 1HG1 ILE 29 -0.288 3.857 -3.673
187 HG13 ILE 29 2HG1 ILE 29 -1.358 2.937 -2.620
188 HG21 ILE 29 1HG2 ILE 29 0.834 5.550 -3.122
189 HG22 ILE 29 2HG2 ILE 29 -0.128 6.734 -2.240
190 HG23 ILE 29 3HG2 ILE 29 1.203 5.905 -1.435
191 HD11 ILE 29 3HD1 ILE 29 -2.183 4.495 -4.661
192 HD12 ILE 29 1HD1 ILE 29 -3.171 4.084 -3.259
193 HD13 ILE 29 2HD1 ILE 29 -2.310 5.622 -3.311
194 H VAL 30 H VAL 30 -1.108 4.855 1.146
195 HA VAL 30 HA VAL 30 0.793 6.685 2.086
196 HB VAL 30 HB VAL 30 -1.491 5.431 3.617
197 HG11 VAL 30 1HG1 VAL 30 -0.233 8.105 4.148
198 HG12 VAL 30 2HG1 VAL 30 -1.307 7.163 5.185
199 HG13 VAL 30 3HG1 VAL 30 0.354 6.631 4.918
200 HG21 VAL 30 3HG2 VAL 30 -1.347 7.520 1.548
201 HG22 VAL 30 1HG2 VAL 30 -2.688 6.475 2.019
202 HG23 VAL 30 2HG2 VAL 30 -2.321 7.919 2.963
203 H HIS 31 H HIS 31 0.268 3.314 2.825
204 HA HIS 31 HA HIS 31 1.988 3.321 5.139
205 HB2 HIS 31 1HB HIS 31 0.267 1.706 5.217
206 HB3 HIS 31 2HB HIS 31 0.593 1.156 3.576
207 HD1 HIS 31 HD1 HIS 31 1.947 0.917 7.080
208 HD2 HIS 31 HD2 HIS 31 2.498 -0.833 3.353
209 HE1 HIS 31 HE1 HIS 31 3.433 -1.071 7.484
210 H GLN 32 H GLN 32 2.352 2.957 1.738
211 HA GLN 32 HA GLN 32 4.905 1.597 1.926
212 HB2 GLN 32 1HB GLN 32 3.300 2.666 -0.392
213 HB3 GLN 32 2HB GLN 32 4.911 1.989 -0.589
214 HG2 GLN 32 1HG GLN 32 3.875 -0.045 0.695
215 HG3 GLN 32 2HG GLN 32 2.357 0.637 0.114
216 HE21 GLN 32 1HE2 GLN 32 2.066 -1.257 -1.137
217 HE22 GLN 32 2HE2 GLN 32 2.908 -1.471 -2.630
218 H ARG 33 H ARG 33 3.669 4.832 1.351
219 HA ARG 33 HA ARG 33 6.089 6.007 0.491
220 HB2 ARG 33 1HB ARG 33 5.014 8.097 0.775
221 HB3 ARG 33 2HB ARG 33 3.751 6.974 0.290
222 HG2 ARG 33 1HG ARG 33 2.842 6.890 2.450
223 HG3 ARG 33 2HG ARG 33 4.279 7.616 3.171
224 HD2 ARG 33 1HD ARG 33 2.769 9.157 1.119
225 HD3 ARG 33 2HD ARG 33 2.096 9.028 2.743
226 HE ARG 33 HE ARG 33 4.199 10.711 1.953
227 HH11 ARG 33 1HH1 ARG 33 3.323 8.546 4.535
228 HH12 ARG 33 2HH1 ARG 33 4.258 9.383 5.730
229 HH21 ARG 33 1HH2 ARG 33 5.434 11.822 3.517
230 HH22 ARG 33 2HH2 ARG 33 5.458 11.247 5.149
231 H THR 34 H THR 34 4.773 5.297 3.647
232 HA THR 34 HA THR 34 6.639 6.920 5.097
233 HB THR 34 HB THR 34 4.480 6.384 6.092
234 HG1 THR 34 HG1 THR 34 6.563 5.084 7.540
235 HG21 THR 34 3HG2 THR 34 4.237 4.133 5.077
236 HG22 THR 34 1HG2 THR 34 3.905 4.148 6.808
237 HG23 THR 34 2HG2 THR 34 5.443 3.524 6.210
238 H HIS 35 H HIS 35 6.843 3.934 3.531
239 HA HIS 35 HA HIS 35 8.771 2.715 5.282
240 HB2 HIS 35 1HB HIS 35 7.514 2.042 2.672
241 HB3 HIS 35 2HB HIS 35 9.074 1.307 3.025
242 HD1 HIS 35 HD1 HIS 35 8.834 0.571 5.924
243 HD2 HIS 35 HD2 HIS 35 5.703 0.117 3.231
244 HE1 HIS 35 HE1 HIS 35 7.332 -1.179 6.928
245 H THR 36 H THR 36 9.635 5.251 4.752
246 HA THR 36 HA THR 36 11.681 5.049 2.673
247 HB THR 36 HB THR 36 12.115 7.444 3.163
248 HG1 THR 36 HG1 THR 36 10.395 8.443 4.515
249 HG21 THR 36 3HG2 THR 36 9.520 8.063 2.649
250 HG22 THR 36 1HG2 THR 36 9.553 6.355 2.213
251 HG23 THR 36 2HG2 THR 36 10.663 7.485 1.437
252 H GLY 37 H GLY 37 13.812 4.840 3.077
253 HA2 GLY 37 1HA GLY 37 15.599 5.540 4.747
254 HA3 GLY 37 2HA GLY 37 14.611 4.673 5.914
255 H GLU 38 H GLU 38 16.527 4.297 2.969
256 HA GLU 38 HA GLU 38 16.516 1.436 3.078
257 HB2 GLU 38 1HB GLU 38 18.011 3.481 1.470
258 HB3 GLU 38 2HB GLU 38 18.491 1.791 1.420
259 HG2 GLU 38 1HG GLU 38 16.338 1.142 0.588
260 HG3 GLU 38 2HG GLU 38 15.722 2.782 0.789
261 H LYS 39 H LYS 39 17.745 0.151 4.277
262 HA LYS 39 HA LYS 39 20.407 0.980 5.093
263 HB2 LYS 39 1HB LYS 39 18.111 0.647 6.974
264 HB3 LYS 39 2HB LYS 39 19.706 0.120 7.495
265 HG2 LYS 39 1HG LYS 39 19.224 2.872 6.404
266 HG3 LYS 39 2HG LYS 39 18.987 2.481 8.109
267 HD2 LYS 39 1HD LYS 39 21.554 1.891 6.655
268 HD3 LYS 39 2HD LYS 39 21.253 3.434 7.457
269 HE2 LYS 39 1HE LYS 39 20.843 0.881 8.953
270 HE3 LYS 39 2HE LYS 39 22.477 1.501 8.722
271 HZ1 LYS 39 3HZ LYS 39 22.132 3.178 10.151
272 HZ2 LYS 39 1HZ LYS 39 20.887 2.200 10.748
273 HZ3 LYS 39 2HZ LYS 39 20.536 3.440 9.653
274 HA PRO 40 HA PRO 40 20.972 -3.324 4.182
275 HB2 PRO 40 1HB PRO 40 23.590 -3.453 4.886
276 HB3 PRO 40 2HB PRO 40 23.036 -2.716 3.378
277 HG2 PRO 40 1HG PRO 40 23.801 -1.405 5.958
278 HG3 PRO 40 2HG PRO 40 24.203 -0.928 4.298
279 HD2 PRO 40 1HD PRO 40 22.228 0.262 5.718
280 HD3 PRO 40 2HD PRO 40 22.154 0.070 3.955
281 H SER 41 H SER 41 19.885 -4.571 5.625
282 HA SER 41 HA SER 41 19.912 -4.570 8.344
283 HB2 SER 41 1HB SER 41 19.667 -6.905 6.445
284 HB3 SER 41 2HB SER 41 19.407 -7.061 8.182
285 HG SER 41 HG SER 41 17.973 -5.410 6.374
286 H GLY 42 H GLY 42 22.060 -6.551 6.296
287 HA2 GLY 42 1HA GLY 42 24.298 -7.073 6.685
288 HA3 GLY 42 2HA GLY 42 24.181 -6.291 8.255
289 HA PRO 43 HA PRO 43 24.058 -11.033 8.541
290 HB2 PRO 43 1HB PRO 43 26.550 -11.414 9.549
291 HB3 PRO 43 2HB PRO 43 26.202 -11.426 7.816
292 HG2 PRO 43 1HG PRO 43 27.319 -9.224 9.508
293 HG3 PRO 43 2HG PRO 43 27.820 -9.758 7.893
294 HD2 PRO 43 1HD PRO 43 26.256 -7.583 8.288
295 HD3 PRO 43 2HD PRO 43 26.116 -8.610 6.848
296 H SER 44 H SER 44 24.157 -8.331 10.398
297 HA SER 44 HA SER 44 23.650 -9.867 12.836
298 HB2 SER 44 1HB SER 44 25.786 -7.818 12.459
299 HB3 SER 44 2HB SER 44 24.926 -7.842 13.998
300 HG SER 44 HG SER 44 26.105 -9.487 14.516
301 H SER 45 H SER 45 22.617 -8.501 14.539
302 HA SER 45 HA SER 45 20.854 -7.218 15.193
303 HB2 SER 45 1HB SER 45 22.254 -5.386 13.254
304 HB3 SER 45 2HB SER 45 20.799 -4.879 14.111
305 HG SER 45 HG SER 45 23.350 -5.474 15.121
306 H GLY 46 H GLY 46 20.184 -9.171 13.363
307 HA2 GLY 46 1HA GLY 46 18.231 -7.819 11.608
308 HA3 GLY 46 2HA GLY 46 18.920 -9.404 11.288
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -0.876 -31.526 12.009
2 HA2 GLY 1 1HA GLY 1 -1.667 -29.498 12.901
3 HA3 GLY 1 2HA GLY 1 -0.080 -29.212 13.600
4 H SER 2 H SER 2 -2.173 -28.080 11.383
5 HA SER 2 HA SER 2 -0.006 -26.967 9.726
6 HB2 SER 2 1HB SER 2 -2.688 -28.041 8.906
7 HB3 SER 2 2HB SER 2 -1.901 -26.793 7.940
8 HG SER 2 HG SER 2 -1.237 -28.733 7.125
9 H SER 3 H SER 3 0.159 -25.083 10.921
10 HA SER 3 HA SER 3 -2.128 -23.502 11.604
11 HB2 SER 3 1HB SER 3 0.015 -23.502 12.902
12 HB3 SER 3 2HB SER 3 0.778 -22.655 11.557
13 HG SER 3 HG SER 3 -0.223 -21.425 13.446
14 H GLY 4 H GLY 4 -3.258 -22.976 9.757
15 HA2 GLY 4 1HA GLY 4 -1.949 -21.847 7.455
16 HA3 GLY 4 2HA GLY 4 -3.683 -22.006 7.699
17 H SER 5 H SER 5 -4.805 -20.374 8.848
18 HA SER 5 HA SER 5 -3.523 -18.045 9.846
19 HB2 SER 5 1HB SER 5 -3.213 -17.760 7.354
20 HB3 SER 5 2HB SER 5 -4.969 -17.655 7.219
21 HG SER 5 HG SER 5 -3.193 -15.765 7.983
22 H SER 6 H SER 6 -4.965 -16.620 10.845
23 HA SER 6 HA SER 6 -7.445 -17.783 11.635
24 HB2 SER 6 1HB SER 6 -6.388 -14.991 12.144
25 HB3 SER 6 2HB SER 6 -7.728 -15.761 12.994
26 HG SER 6 HG SER 6 -6.239 -16.464 14.291
27 H GLY 7 H GLY 7 -9.465 -17.427 10.917
28 HA2 GLY 7 1HA GLY 7 -11.130 -16.767 9.476
29 HA3 GLY 7 2HA GLY 7 -10.507 -15.149 9.763
30 H THR 8 H THR 8 -11.238 -14.773 7.544
31 HA THR 8 HA THR 8 -9.337 -15.814 5.548
32 HB THR 8 HB THR 8 -11.013 -15.308 3.833
33 HG1 THR 8 HG1 THR 8 -12.195 -14.002 5.926
34 HG21 THR 8 3HG2 THR 8 -12.885 -16.881 4.917
35 HG22 THR 8 1HG2 THR 8 -11.589 -17.156 6.080
36 HG23 THR 8 2HG2 THR 8 -11.327 -17.499 4.369
37 H GLY 9 H GLY 9 -8.651 -14.340 3.861
38 HA2 GLY 9 1HA GLY 9 -9.118 -11.519 4.144
39 HA3 GLY 9 2HA GLY 9 -7.528 -12.002 4.716
40 H GLU 10 H GLU 10 -6.194 -13.271 3.152
41 HA GLU 10 HA GLU 10 -4.989 -13.068 1.203
42 HB2 GLU 10 1HB GLU 10 -6.780 -14.863 0.855
43 HB3 GLU 10 2HB GLU 10 -7.638 -13.664 -0.102
44 HG2 GLU 10 1HG GLU 10 -5.391 -13.468 -1.388
45 HG3 GLU 10 2HG GLU 10 -5.058 -15.044 -0.672
46 H LYS 11 H LYS 11 -5.717 -10.549 2.041
47 HA LYS 11 HA LYS 11 -7.148 -8.910 0.371
48 HB2 LYS 11 1HB LYS 11 -4.772 -8.521 2.115
49 HB3 LYS 11 2HB LYS 11 -5.147 -7.237 0.973
50 HG2 LYS 11 1HG LYS 11 -6.160 -6.770 3.110
51 HG3 LYS 11 2HG LYS 11 -7.412 -7.086 1.906
52 HD2 LYS 11 1HD LYS 11 -8.151 -8.314 3.726
53 HD3 LYS 11 2HD LYS 11 -7.283 -9.526 2.781
54 HE2 LYS 11 1HE LYS 11 -6.429 -9.925 4.872
55 HE3 LYS 11 2HE LYS 11 -5.252 -8.766 4.255
56 HZ1 LYS 11 3HZ LYS 11 -6.718 -8.551 6.569
57 HZ2 LYS 11 1HZ LYS 11 -7.435 -7.446 5.508
58 HZ3 LYS 11 2HZ LYS 11 -5.782 -7.339 5.849
59 HA PRO 12 HA PRO 12 -5.103 -9.038 -3.533
60 HB2 PRO 12 1HB PRO 12 -6.099 -6.740 -4.580
61 HB3 PRO 12 2HB PRO 12 -7.060 -8.213 -4.409
62 HG2 PRO 12 1HG PRO 12 -6.978 -5.790 -2.653
63 HG3 PRO 12 2HG PRO 12 -8.380 -6.725 -3.204
64 HD2 PRO 12 1HD PRO 12 -7.313 -7.020 -0.733
65 HD3 PRO 12 2HD PRO 12 -8.073 -8.363 -1.611
66 H PHE 13 H PHE 13 -4.966 -6.115 -1.556
67 HA PHE 13 HA PHE 13 -2.588 -5.189 -2.964
68 HB2 PHE 13 1HB PHE 13 -3.980 -3.908 -0.607
69 HB3 PHE 13 2HB PHE 13 -2.810 -3.157 -1.688
70 HD1 PHE 13 HD2 PHE 13 -6.271 -4.261 -1.297
71 HD2 PHE 13 HD1 PHE 13 -3.447 -2.425 -3.899
72 HE1 PHE 13 HE2 PHE 13 -8.108 -3.480 -2.734
73 HE2 PHE 13 HE1 PHE 13 -5.280 -1.639 -5.339
74 HZ PHE 13 HZ PHE 13 -7.614 -2.167 -4.758
75 H GLU 14 H GLU 14 -0.586 -5.572 -2.285
76 HA GLU 14 HA GLU 14 -0.105 -6.131 0.548
77 HB2 GLU 14 1HB GLU 14 -0.386 -8.289 -0.746
78 HB3 GLU 14 2HB GLU 14 1.068 -7.853 -1.634
79 HG2 GLU 14 1HG GLU 14 2.403 -7.973 0.322
80 HG3 GLU 14 2HG GLU 14 0.983 -8.107 1.358
81 H CYS 15 H CYS 15 1.627 -5.094 1.305
82 HA CYS 15 HA CYS 15 3.032 -3.203 -0.141
83 HB2 CYS 15 1HB CYS 15 2.867 -3.721 2.455
84 HB3 CYS 15 2HB CYS 15 4.398 -4.537 2.154
85 H SER 16 H SER 16 5.636 -3.330 -0.024
86 HA SER 16 HA SER 16 6.402 -5.789 -1.457
87 HB2 SER 16 1HB SER 16 7.115 -2.918 -2.056
88 HB3 SER 16 2HB SER 16 8.028 -4.276 -2.714
89 HG SER 16 HG SER 16 5.321 -3.595 -3.160
90 H GLU 17 H GLU 17 7.274 -3.321 0.843
91 HA GLU 17 HA GLU 17 9.932 -4.421 1.249
92 HB2 GLU 17 1HB GLU 17 8.434 -2.072 2.371
93 HB3 GLU 17 2HB GLU 17 9.911 -2.640 3.138
94 HG2 GLU 17 1HG GLU 17 9.607 -1.641 0.317
95 HG3 GLU 17 2HG GLU 17 10.429 -0.834 1.651
96 H CYS 18 H CYS 18 7.115 -3.778 3.344
97 HA CYS 18 HA CYS 18 8.082 -5.756 5.250
98 HB2 CYS 18 1HB CYS 18 6.420 -4.909 6.752
99 HB3 CYS 18 2HB CYS 18 7.183 -3.523 5.980
100 H GLN 19 H GLN 19 6.051 -5.645 2.572
101 HA GLN 19 HA GLN 19 4.545 -7.087 1.662
102 HB2 GLN 19 1HB GLN 19 5.774 -9.038 3.617
103 HB3 GLN 19 2HB GLN 19 4.798 -9.464 2.217
104 HG2 GLN 19 1HG GLN 19 7.255 -7.829 1.825
105 HG3 GLN 19 2HG GLN 19 7.407 -9.561 2.119
106 HE21 GLN 19 1HE2 GLN 19 7.010 -7.211 -0.196
107 HE22 GLN 19 2HE2 GLN 19 6.480 -8.206 -1.506
108 H LYS 20 H LYS 20 3.429 -5.442 3.507
109 HA LYS 20 HA LYS 20 1.828 -7.033 5.341
110 HB2 LYS 20 1HB LYS 20 2.703 -4.888 6.118
111 HB3 LYS 20 2HB LYS 20 1.874 -4.057 4.809
112 HG2 LYS 20 1HG LYS 20 -0.172 -4.234 5.803
113 HG3 LYS 20 2HG LYS 20 0.254 -5.710 6.672
114 HD2 LYS 20 1HD LYS 20 1.479 -3.037 7.317
115 HD3 LYS 20 2HD LYS 20 -0.016 -3.603 8.067
116 HE2 LYS 20 1HE LYS 20 2.338 -5.418 8.084
117 HE3 LYS 20 2HE LYS 20 2.356 -4.029 9.169
118 HZ1 LYS 20 3HZ LYS 20 1.177 -6.427 9.671
119 HZ2 LYS 20 1HZ LYS 20 -0.131 -5.448 9.228
120 HZ3 LYS 20 2HZ LYS 20 0.877 -4.986 10.505
121 H ALA 21 H ALA 21 -0.494 -6.949 5.352
122 HA ALA 21 HA ALA 21 -1.586 -6.927 2.645
123 HB1 ALA 21 3HB ALA 21 -2.830 -7.899 5.215
124 HB2 ALA 21 1HB ALA 21 -3.480 -8.122 3.590
125 HB3 ALA 21 2HB ALA 21 -1.965 -8.901 4.050
126 H PHE 22 H PHE 22 -3.416 -5.753 2.045
127 HA PHE 22 HA PHE 22 -4.438 -3.767 3.933
128 HB2 PHE 22 1HB PHE 22 -3.082 -3.174 1.317
129 HB3 PHE 22 2HB PHE 22 -4.297 -2.079 1.969
130 HD1 PHE 22 HD1 PHE 22 -3.871 -0.801 3.982
131 HD2 PHE 22 HD2 PHE 22 -0.927 -3.417 2.368
132 HE1 PHE 22 HE1 PHE 22 -2.158 0.263 5.391
133 HE2 PHE 22 HE2 PHE 22 0.791 -2.358 3.776
134 HZ PHE 22 HZ PHE 22 0.176 -0.516 5.291
135 H ASN 23 H ASN 23 -6.467 -2.827 3.297
136 HA ASN 23 HA ASN 23 -8.057 -4.683 1.709
137 HB2 ASN 23 1HB ASN 23 -9.916 -3.022 2.619
138 HB3 ASN 23 2HB ASN 23 -9.237 -4.285 3.641
139 HD21 ASN 23 1HD2 ASN 23 -9.648 -0.940 3.165
140 HD22 ASN 23 2HD2 ASN 23 -8.771 -0.398 4.552
141 H THR 24 H THR 24 -7.477 -1.178 1.915
142 HA THR 24 HA THR 24 -8.518 -0.915 -0.826
143 HB THR 24 HB THR 24 -8.673 1.537 -0.298
144 HG1 THR 24 HG1 THR 24 -8.757 1.819 2.144
145 HG21 THR 24 3HG2 THR 24 -10.278 -0.610 0.942
146 HG22 THR 24 1HG2 THR 24 -10.771 0.695 -0.136
147 HG23 THR 24 2HG2 THR 24 -10.532 1.013 1.582
148 H LYS 25 H LYS 25 -7.303 0.025 -2.417
149 HA LYS 25 HA LYS 25 -4.528 -0.194 -2.322
150 HB2 LYS 25 1HB LYS 25 -6.205 0.042 -4.335
151 HB3 LYS 25 2HB LYS 25 -5.821 1.752 -4.191
152 HG2 LYS 25 1HG LYS 25 -3.559 -0.162 -4.288
153 HG3 LYS 25 2HG LYS 25 -4.463 0.128 -5.776
154 HD2 LYS 25 1HD LYS 25 -3.617 2.484 -4.172
155 HD3 LYS 25 2HD LYS 25 -2.381 1.618 -5.087
156 HE2 LYS 25 1HE LYS 25 -4.222 1.808 -6.995
157 HE3 LYS 25 2HE LYS 25 -4.696 3.213 -6.042
158 HZ1 LYS 25 3HZ LYS 25 -2.852 3.311 -7.933
159 HZ2 LYS 25 1HZ LYS 25 -1.857 2.934 -6.618
160 HZ3 LYS 25 2HZ LYS 25 -2.823 4.322 -6.577
161 H SER 26 H SER 26 -6.557 2.718 -2.089
162 HA SER 26 HA SER 26 -4.622 4.657 -1.919
163 HB2 SER 26 1HB SER 26 -7.278 4.444 -0.498
164 HB3 SER 26 2HB SER 26 -6.274 5.891 -0.429
165 HG SER 26 HG SER 26 -7.181 4.690 -2.834
166 H ASN 27 H ASN 27 -5.954 2.738 0.763
167 HA ASN 27 HA ASN 27 -4.497 3.871 2.839
168 HB2 ASN 27 1HB ASN 27 -5.655 1.129 2.419
169 HB3 ASN 27 2HB ASN 27 -4.745 1.507 3.879
170 HD21 ASN 27 1HD2 ASN 27 -6.876 0.926 4.816
171 HD22 ASN 27 2HD2 ASN 27 -8.037 2.191 5.009
172 H LEU 28 H LEU 28 -3.653 1.119 0.758
173 HA LEU 28 HA LEU 28 -1.256 0.390 1.938
174 HB2 LEU 28 1HB LEU 28 -2.086 -1.034 0.285
175 HB3 LEU 28 2HB LEU 28 -2.253 0.274 -0.885
176 HG LEU 28 HG LEU 28 0.214 0.366 -1.073
177 HD11 LEU 28 1HD1 LEU 28 1.269 -0.466 0.736
178 HD12 LEU 28 2HD1 LEU 28 1.186 -1.973 -0.176
179 HD13 LEU 28 3HD1 LEU 28 -0.006 -1.636 1.079
180 HD21 LEU 28 3HD2 LEU 28 0.019 -2.371 -1.768
181 HD22 LEU 28 1HD2 LEU 28 -0.127 -0.960 -2.816
182 HD23 LEU 28 2HD2 LEU 28 -1.561 -1.636 -2.043
183 H ILE 29 H ILE 29 -1.716 2.638 -0.792
184 HA ILE 29 HA ILE 29 0.895 3.420 -1.175
185 HB ILE 29 HB ILE 29 -1.571 5.152 -1.375
186 HG12 ILE 29 1HG1 ILE 29 -0.113 3.811 -3.640
187 HG13 ILE 29 2HG1 ILE 29 -1.366 2.965 -2.739
188 HG21 ILE 29 1HG2 ILE 29 0.730 6.290 -1.262
189 HG22 ILE 29 2HG2 ILE 29 0.994 5.594 -2.860
190 HG23 ILE 29 3HG2 ILE 29 -0.343 6.713 -2.596
191 HD11 ILE 29 3HD1 ILE 29 -2.312 3.907 -4.725
192 HD12 ILE 29 1HD1 ILE 29 -2.942 4.775 -3.326
193 HD13 ILE 29 2HD1 ILE 29 -1.680 5.503 -4.320
194 H VAL 30 H VAL 30 -1.484 4.942 0.997
195 HA VAL 30 HA VAL 30 0.147 6.932 2.046
196 HB VAL 30 HB VAL 30 -1.909 5.463 3.686
197 HG11 VAL 30 1HG1 VAL 30 -1.482 8.416 3.653
198 HG12 VAL 30 2HG1 VAL 30 -2.068 7.377 4.954
199 HG13 VAL 30 3HG1 VAL 30 -0.354 7.387 4.535
200 HG21 VAL 30 3HG2 VAL 30 -3.474 5.966 2.190
201 HG22 VAL 30 1HG2 VAL 30 -3.113 7.674 2.439
202 HG23 VAL 30 2HG2 VAL 30 -2.289 6.775 1.165
203 H HIS 31 H HIS 31 0.295 3.547 2.502
204 HA HIS 31 HA HIS 31 1.824 3.766 4.979
205 HB2 HIS 31 1HB HIS 31 0.316 1.965 5.079
206 HB3 HIS 31 2HB HIS 31 0.680 1.453 3.433
207 HD1 HIS 31 HD1 HIS 31 2.104 1.368 6.918
208 HD2 HIS 31 HD2 HIS 31 2.773 -0.330 3.185
209 HE1 HIS 31 HE1 HIS 31 3.797 -0.452 7.300
210 H GLN 32 H GLN 32 2.217 2.727 1.621
211 HA GLN 32 HA GLN 32 4.773 1.710 1.688
212 HB2 GLN 32 1HB GLN 32 3.234 3.203 -0.404
213 HB3 GLN 32 2HB GLN 32 4.916 2.780 -0.696
214 HG2 GLN 32 1HG GLN 32 4.441 0.451 -0.477
215 HG3 GLN 32 2HG GLN 32 2.795 0.787 0.057
216 HE21 GLN 32 1HE2 GLN 32 3.020 -0.909 -1.952
217 HE22 GLN 32 2HE2 GLN 32 2.574 -0.185 -3.456
218 H ARG 33 H ARG 33 3.761 5.089 1.559
219 HA ARG 33 HA ARG 33 6.029 6.442 0.991
220 HB2 ARG 33 1HB ARG 33 5.272 8.216 2.521
221 HB3 ARG 33 2HB ARG 33 3.947 7.566 1.564
222 HG2 ARG 33 1HG ARG 33 3.369 6.119 3.534
223 HG3 ARG 33 2HG ARG 33 4.552 7.044 4.461
224 HD2 ARG 33 1HD ARG 33 3.230 9.104 3.588
225 HD3 ARG 33 2HD ARG 33 1.949 7.931 3.286
226 HE ARG 33 HE ARG 33 1.628 7.727 5.559
227 HH11 ARG 33 1HH1 ARG 33 4.525 9.550 4.923
228 HH12 ARG 33 2HH1 ARG 33 4.718 10.064 6.566
229 HH21 ARG 33 1HH2 ARG 33 1.872 8.397 7.726
230 HH22 ARG 33 2HH2 ARG 33 3.209 9.407 8.160
231 H THR 34 H THR 34 5.262 4.957 4.116
232 HA THR 34 HA THR 34 7.352 5.837 5.658
233 HB THR 34 HB THR 34 7.149 3.814 6.979
234 HG1 THR 34 HG1 THR 34 5.318 2.621 5.253
235 HG21 THR 34 3HG2 THR 34 4.699 5.124 5.919
236 HG22 THR 34 1HG2 THR 34 5.350 5.104 7.557
237 HG23 THR 34 2HG2 THR 34 4.496 3.694 6.930
238 H HIS 35 H HIS 35 7.370 3.198 3.299
239 HA HIS 35 HA HIS 35 10.071 2.430 3.834
240 HB2 HIS 35 1HB HIS 35 8.289 1.840 1.462
241 HB3 HIS 35 2HB HIS 35 9.843 1.073 1.771
242 HD1 HIS 35 HD1 HIS 35 9.763 0.122 4.531
243 HD2 HIS 35 HD2 HIS 35 6.346 0.117 2.167
244 HE1 HIS 35 HE1 HIS 35 8.225 -1.571 5.576
245 H THR 36 H THR 36 8.650 3.811 0.866
246 HA THR 36 HA THR 36 11.242 5.092 0.327
247 HB THR 36 HB THR 36 9.063 4.860 -1.721
248 HG1 THR 36 HG1 THR 36 9.841 2.761 -0.550
249 HG21 THR 36 3HG2 THR 36 10.820 5.031 -3.283
250 HG22 THR 36 1HG2 THR 36 12.044 4.649 -2.073
251 HG23 THR 36 2HG2 THR 36 11.212 6.204 -2.025
252 H GLY 37 H GLY 37 11.376 7.197 0.722
253 HA2 GLY 37 1HA GLY 37 9.231 8.979 -0.063
254 HA3 GLY 37 2HA GLY 37 9.519 8.901 1.669
255 H GLU 38 H GLU 38 11.446 9.195 -1.321
256 HA GLU 38 HA GLU 38 13.555 10.610 -0.085
257 HB2 GLU 38 1HB GLU 38 12.756 10.543 -3.000
258 HB3 GLU 38 2HB GLU 38 14.300 11.108 -2.376
259 HG2 GLU 38 1HG GLU 38 13.286 8.313 -1.950
260 HG3 GLU 38 2HG GLU 38 14.273 8.783 -3.332
261 H LYS 39 H LYS 39 14.220 12.846 -0.767
262 HA LYS 39 HA LYS 39 12.246 14.706 0.014
263 HB2 LYS 39 1HB LYS 39 14.574 15.156 0.451
264 HB3 LYS 39 2HB LYS 39 14.955 15.097 -1.265
265 HG2 LYS 39 1HG LYS 39 13.863 17.138 -1.685
266 HG3 LYS 39 2HG LYS 39 13.060 17.120 -0.113
267 HD2 LYS 39 1HD LYS 39 14.796 18.671 0.140
268 HD3 LYS 39 2HD LYS 39 15.419 17.197 0.883
269 HE2 LYS 39 1HE LYS 39 16.356 16.764 -1.533
270 HE3 LYS 39 2HE LYS 39 16.190 18.513 -1.680
271 HZ1 LYS 39 3HZ LYS 39 18.249 18.467 -0.806
272 HZ2 LYS 39 1HZ LYS 39 18.044 16.955 -0.075
273 HZ3 LYS 39 2HZ LYS 39 17.420 18.342 0.664
274 HA PRO 40 HA PRO 40 10.236 15.177 -3.930
275 HB2 PRO 40 1HB PRO 40 8.520 17.128 -3.141
276 HB3 PRO 40 2HB PRO 40 8.290 15.424 -2.732
277 HG2 PRO 40 1HG PRO 40 9.439 17.632 -1.069
278 HG3 PRO 40 2HG PRO 40 8.303 16.353 -0.601
279 HD2 PRO 40 1HD PRO 40 10.948 16.231 -0.033
280 HD3 PRO 40 2HD PRO 40 9.974 14.783 -0.359
281 H SER 41 H SER 41 11.319 17.973 -2.022
282 HA SER 41 HA SER 41 12.376 19.175 -4.468
283 HB2 SER 41 1HB SER 41 10.585 20.663 -2.532
284 HB3 SER 41 2HB SER 41 11.423 21.375 -3.910
285 HG SER 41 HG SER 41 9.636 19.208 -4.211
286 H GLY 42 H GLY 42 14.260 20.271 -4.182
287 HA2 GLY 42 1HA GLY 42 15.302 20.343 -1.423
288 HA3 GLY 42 2HA GLY 42 16.293 20.166 -2.863
289 HA PRO 43 HA PRO 43 15.490 24.734 -1.530
290 HB2 PRO 43 1HB PRO 43 17.444 25.124 0.315
291 HB3 PRO 43 2HB PRO 43 15.802 24.627 0.744
292 HG2 PRO 43 1HG PRO 43 18.272 22.960 0.458
293 HG3 PRO 43 2HG PRO 43 17.016 22.893 1.708
294 HD2 PRO 43 1HD PRO 43 17.104 21.152 -0.364
295 HD3 PRO 43 2HD PRO 43 15.579 21.679 0.375
296 H SER 44 H SER 44 18.408 22.820 -1.955
297 HA SER 44 HA SER 44 19.526 24.998 -3.594
298 HB2 SER 44 1HB SER 44 20.700 24.510 -1.350
299 HB3 SER 44 2HB SER 44 21.248 23.018 -2.114
300 HG SER 44 HG SER 44 21.621 25.529 -3.349
301 H SER 45 H SER 45 19.919 21.506 -2.971
302 HA SER 45 HA SER 45 20.714 21.048 -5.713
303 HB2 SER 45 1HB SER 45 20.328 19.204 -3.350
304 HB3 SER 45 2HB SER 45 20.786 18.630 -4.953
305 HG SER 45 HG SER 45 22.233 20.630 -3.565
306 H GLY 46 H GLY 46 19.447 20.393 -7.337
307 HA2 GLY 46 1HA GLY 46 16.758 19.370 -6.677
308 HA3 GLY 46 2HA GLY 46 16.974 20.627 -7.887
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.638 -25.715 20.537
2 HA2 GLY 1 1HA GLY 1 6.584 -28.486 20.158
3 HA3 GLY 1 2HA GLY 1 4.925 -28.145 20.625
4 H SER 2 H SER 2 3.510 -27.184 19.112
5 HA SER 2 HA SER 2 4.458 -26.867 16.376
6 HB2 SER 2 1HB SER 2 2.335 -28.874 17.163
7 HB3 SER 2 2HB SER 2 2.646 -28.359 15.506
8 HG SER 2 HG SER 2 4.831 -29.121 15.836
9 H SER 3 H SER 3 3.476 -25.212 15.404
10 HA SER 3 HA SER 3 1.898 -23.372 16.606
11 HB2 SER 3 1HB SER 3 2.840 -22.856 14.475
12 HB3 SER 3 2HB SER 3 1.965 -24.172 13.694
13 HG SER 3 HG SER 3 0.728 -21.929 14.914
14 H GLY 4 H GLY 4 -0.362 -22.803 16.455
15 HA2 GLY 4 1HA GLY 4 -2.258 -24.841 15.666
16 HA3 GLY 4 2HA GLY 4 -2.147 -24.593 17.403
17 H SER 5 H SER 5 -2.025 -22.011 17.827
18 HA SER 5 HA SER 5 -4.503 -20.993 16.624
19 HB2 SER 5 1HB SER 5 -4.623 -19.509 18.600
20 HB3 SER 5 2HB SER 5 -4.548 -21.210 19.060
21 HG SER 5 HG SER 5 -2.270 -19.528 18.932
22 H SER 6 H SER 6 -3.531 -20.191 14.719
23 HA SER 6 HA SER 6 -2.396 -17.545 15.046
24 HB2 SER 6 1HB SER 6 -0.381 -17.897 13.882
25 HB3 SER 6 2HB SER 6 -0.482 -19.276 14.976
26 HG SER 6 HG SER 6 -0.275 -20.414 13.226
27 H GLY 7 H GLY 7 -2.069 -16.504 12.825
28 HA2 GLY 7 1HA GLY 7 -3.411 -17.559 10.561
29 HA3 GLY 7 2HA GLY 7 -4.481 -16.479 11.442
30 H THR 8 H THR 8 -4.027 -15.708 8.984
31 HA THR 8 HA THR 8 -2.462 -13.294 9.314
32 HB THR 8 HB THR 8 -0.791 -14.912 8.469
33 HG1 THR 8 HG1 THR 8 -0.052 -13.535 6.852
34 HG21 THR 8 3HG2 THR 8 -2.937 -15.676 6.758
35 HG22 THR 8 1HG2 THR 8 -1.341 -16.408 6.914
36 HG23 THR 8 2HG2 THR 8 -1.603 -15.103 5.757
37 H GLY 9 H GLY 9 -2.963 -11.669 7.783
38 HA2 GLY 9 1HA GLY 9 -5.629 -11.890 6.719
39 HA3 GLY 9 2HA GLY 9 -4.592 -10.473 6.653
40 H GLU 10 H GLU 10 -6.291 -12.001 4.631
41 HA GLU 10 HA GLU 10 -4.187 -12.267 2.585
42 HB2 GLU 10 1HB GLU 10 -5.465 -14.391 3.305
43 HB3 GLU 10 2HB GLU 10 -6.828 -13.697 2.438
44 HG2 GLU 10 1HG GLU 10 -5.312 -13.541 0.428
45 HG3 GLU 10 2HG GLU 10 -4.162 -14.526 1.332
46 H LYS 11 H LYS 11 -4.331 -10.180 1.819
47 HA LYS 11 HA LYS 11 -6.903 -9.447 0.580
48 HB2 LYS 11 1HB LYS 11 -4.951 -7.856 2.152
49 HB3 LYS 11 2HB LYS 11 -5.692 -7.058 0.771
50 HG2 LYS 11 1HG LYS 11 -7.043 -6.515 2.604
51 HG3 LYS 11 2HG LYS 11 -7.924 -7.774 1.736
52 HD2 LYS 11 1HD LYS 11 -8.109 -8.558 3.880
53 HD3 LYS 11 2HD LYS 11 -6.613 -9.356 3.389
54 HE2 LYS 11 1HE LYS 11 -5.291 -7.693 4.501
55 HE3 LYS 11 2HE LYS 11 -6.719 -6.716 4.838
56 HZ1 LYS 11 3HZ LYS 11 -7.051 -7.845 6.697
57 HZ2 LYS 11 1HZ LYS 11 -5.612 -8.694 6.433
58 HZ3 LYS 11 2HZ LYS 11 -7.078 -9.319 5.866
59 HA PRO 12 HA PRO 12 -4.958 -9.153 -3.341
60 HB2 PRO 12 1HB PRO 12 -6.075 -6.919 -4.405
61 HB3 PRO 12 2HB PRO 12 -6.967 -8.430 -4.190
62 HG2 PRO 12 1HG PRO 12 -6.957 -5.975 -2.476
63 HG3 PRO 12 2HG PRO 12 -8.327 -6.980 -2.983
64 HD2 PRO 12 1HD PRO 12 -7.198 -7.185 -0.530
65 HD3 PRO 12 2HD PRO 12 -7.916 -8.575 -1.370
66 H PHE 13 H PHE 13 -4.994 -6.092 -1.545
67 HA PHE 13 HA PHE 13 -2.634 -5.155 -2.964
68 HB2 PHE 13 1HB PHE 13 -4.077 -3.804 -0.679
69 HB3 PHE 13 2HB PHE 13 -2.967 -3.066 -1.829
70 HD1 PHE 13 HD2 PHE 13 -6.357 -4.314 -1.294
71 HD2 PHE 13 HD1 PHE 13 -3.677 -2.521 -4.072
72 HE1 PHE 13 HE2 PHE 13 -8.258 -3.724 -2.741
73 HE2 PHE 13 HE1 PHE 13 -5.574 -1.928 -5.524
74 HZ PHE 13 HZ PHE 13 -7.867 -2.530 -4.859
75 H GLU 14 H GLU 14 -0.703 -5.833 -2.327
76 HA GLU 14 HA GLU 14 -0.200 -6.112 0.562
77 HB2 GLU 14 1HB GLU 14 -0.345 -8.301 -0.707
78 HB3 GLU 14 2HB GLU 14 1.101 -7.802 -1.574
79 HG2 GLU 14 1HG GLU 14 2.452 -8.012 0.276
80 HG3 GLU 14 2HG GLU 14 1.111 -7.828 1.407
81 H CYS 15 H CYS 15 1.594 -5.152 1.345
82 HA CYS 15 HA CYS 15 2.872 -3.126 -0.070
83 HB2 CYS 15 1HB CYS 15 2.758 -3.706 2.512
84 HB3 CYS 15 2HB CYS 15 4.312 -4.463 2.179
85 H SER 16 H SER 16 5.454 -3.114 -0.053
86 HA SER 16 HA SER 16 6.293 -5.494 -1.578
87 HB2 SER 16 1HB SER 16 6.843 -2.570 -2.012
88 HB3 SER 16 2HB SER 16 7.943 -3.794 -2.646
89 HG SER 16 HG SER 16 6.590 -3.923 -4.239
90 H GLU 17 H GLU 17 7.119 -3.162 0.879
91 HA GLU 17 HA GLU 17 9.800 -4.210 1.219
92 HB2 GLU 17 1HB GLU 17 8.211 -2.076 2.633
93 HB3 GLU 17 2HB GLU 17 9.786 -2.604 3.209
94 HG2 GLU 17 1HG GLU 17 10.369 -2.108 0.630
95 HG3 GLU 17 2HG GLU 17 9.076 -0.939 0.892
96 H CYS 18 H CYS 18 7.027 -3.802 3.430
97 HA CYS 18 HA CYS 18 8.031 -6.001 5.061
98 HB2 CYS 18 1HB CYS 18 6.317 -5.314 6.678
99 HB3 CYS 18 2HB CYS 18 7.320 -3.949 6.199
100 H GLN 19 H GLN 19 5.854 -5.510 2.538
101 HA GLN 19 HA GLN 19 4.279 -6.810 1.538
102 HB2 GLN 19 1HB GLN 19 5.528 -8.974 3.239
103 HB3 GLN 19 2HB GLN 19 4.435 -9.250 1.890
104 HG2 GLN 19 1HG GLN 19 6.960 -7.709 1.488
105 HG3 GLN 19 2HG GLN 19 6.985 -9.471 1.538
106 HE21 GLN 19 1HE2 GLN 19 7.778 -8.123 -0.704
107 HE22 GLN 19 2HE2 GLN 19 6.632 -8.373 -1.972
108 H LYS 20 H LYS 20 3.208 -5.310 3.452
109 HA LYS 20 HA LYS 20 1.707 -6.934 5.324
110 HB2 LYS 20 1HB LYS 20 2.641 -4.508 5.652
111 HB3 LYS 20 2HB LYS 20 1.162 -4.030 4.829
112 HG2 LYS 20 1HG LYS 20 0.405 -3.941 6.956
113 HG3 LYS 20 2HG LYS 20 0.094 -5.651 6.647
114 HD2 LYS 20 1HD LYS 20 2.286 -6.193 7.656
115 HD3 LYS 20 2HD LYS 20 2.508 -4.482 8.033
116 HE2 LYS 20 1HE LYS 20 0.476 -4.542 9.413
117 HE3 LYS 20 2HE LYS 20 0.291 -6.258 9.053
118 HZ1 LYS 20 3HZ LYS 20 2.293 -6.746 10.207
119 HZ2 LYS 20 1HZ LYS 20 1.366 -5.761 11.223
120 HZ3 LYS 20 2HZ LYS 20 2.681 -5.109 10.383
121 H ALA 21 H ALA 21 -0.590 -7.031 5.392
122 HA ALA 21 HA ALA 21 -1.782 -7.101 2.739
123 HB1 ALA 21 3HB ALA 21 -1.963 -8.833 4.776
124 HB2 ALA 21 1HB ALA 21 -3.392 -7.851 5.100
125 HB3 ALA 21 2HB ALA 21 -3.212 -8.659 3.542
126 H PHE 22 H PHE 22 -3.006 -5.523 1.960
127 HA PHE 22 HA PHE 22 -4.307 -3.684 3.859
128 HB2 PHE 22 1HB PHE 22 -2.960 -3.101 1.225
129 HB3 PHE 22 2HB PHE 22 -4.082 -1.973 1.977
130 HD1 PHE 22 HD1 PHE 22 -3.524 -0.945 4.154
131 HD2 PHE 22 HD2 PHE 22 -0.740 -3.349 2.013
132 HE1 PHE 22 HE1 PHE 22 -1.690 -0.027 5.514
133 HE2 PHE 22 HE2 PHE 22 1.098 -2.435 3.369
134 HZ PHE 22 HZ PHE 22 0.624 -0.772 5.123
135 H ASN 23 H ASN 23 -6.401 -3.065 3.450
136 HA ASN 23 HA ASN 23 -7.919 -4.816 1.743
137 HB2 ASN 23 1HB ASN 23 -8.752 -2.509 3.513
138 HB3 ASN 23 2HB ASN 23 -9.879 -3.541 2.637
139 HD21 ASN 23 1HD2 ASN 23 -9.032 -3.010 5.573
140 HD22 ASN 23 2HD2 ASN 23 -8.954 -4.602 6.239
141 H THR 24 H THR 24 -7.287 -1.323 1.885
142 HA THR 24 HA THR 24 -8.253 -1.120 -0.893
143 HB THR 24 HB THR 24 -8.613 1.309 -0.413
144 HG1 THR 24 HG1 THR 24 -7.236 1.450 1.430
145 HG21 THR 24 3HG2 THR 24 -10.222 -0.870 0.213
146 HG22 THR 24 1HG2 THR 24 -10.743 0.805 0.037
147 HG23 THR 24 2HG2 THR 24 -10.327 0.173 1.631
148 H LYS 25 H LYS 25 -7.018 -0.043 -2.399
149 HA LYS 25 HA LYS 25 -4.240 -0.125 -2.140
150 HB2 LYS 25 1HB LYS 25 -5.334 -0.170 -4.312
151 HB3 LYS 25 2HB LYS 25 -5.945 1.461 -4.069
152 HG2 LYS 25 1HG LYS 25 -4.089 1.606 -5.536
153 HG3 LYS 25 2HG LYS 25 -3.573 2.246 -3.974
154 HD2 LYS 25 1HD LYS 25 -2.176 0.479 -3.559
155 HD3 LYS 25 2HD LYS 25 -3.135 -0.645 -4.525
156 HE2 LYS 25 1HE LYS 25 -2.314 0.357 -6.568
157 HE3 LYS 25 2HE LYS 25 -1.440 1.582 -5.650
158 HZ1 LYS 25 3HZ LYS 25 0.190 0.048 -6.123
159 HZ2 LYS 25 1HZ LYS 25 -0.840 -1.283 -5.953
160 HZ3 LYS 25 2HZ LYS 25 -0.298 -0.453 -4.582
161 H SER 26 H SER 26 -6.416 2.693 -2.069
162 HA SER 26 HA SER 26 -4.679 4.752 -1.780
163 HB2 SER 26 1HB SER 26 -7.211 4.366 -0.165
164 HB3 SER 26 2HB SER 26 -6.391 5.904 -0.433
165 HG SER 26 HG SER 26 -6.691 5.217 -2.788
166 H ASN 27 H ASN 27 -5.775 2.616 0.838
167 HA ASN 27 HA ASN 27 -4.336 3.854 2.908
168 HB2 ASN 27 1HB ASN 27 -5.563 1.153 2.519
169 HB3 ASN 27 2HB ASN 27 -4.499 1.414 3.898
170 HD21 ASN 27 1HD2 ASN 27 -7.049 3.263 2.257
171 HD22 ASN 27 2HD2 ASN 27 -7.933 3.639 3.693
172 H LEU 28 H LEU 28 -3.516 1.065 0.862
173 HA LEU 28 HA LEU 28 -1.065 0.418 1.986
174 HB2 LEU 28 1HB LEU 28 -1.999 -1.061 0.406
175 HB3 LEU 28 2HB LEU 28 -2.103 0.198 -0.823
176 HG LEU 28 HG LEU 28 0.360 0.189 -0.998
177 HD11 LEU 28 1HD1 LEU 28 0.664 -2.375 0.373
178 HD12 LEU 28 2HD1 LEU 28 0.321 -1.019 1.447
179 HD13 LEU 28 3HD1 LEU 28 1.712 -0.956 0.366
180 HD21 LEU 28 3HD2 LEU 28 -0.801 -1.112 -2.599
181 HD22 LEU 28 1HD2 LEU 28 -1.112 -2.399 -1.434
182 HD23 LEU 28 2HD2 LEU 28 0.529 -2.114 -2.015
183 H ILE 29 H ILE 29 -1.690 2.578 -0.779
184 HA ILE 29 HA ILE 29 0.890 3.375 -1.320
185 HB ILE 29 HB ILE 29 -1.587 5.101 -1.434
186 HG12 ILE 29 1HG1 ILE 29 -0.323 3.683 -3.760
187 HG13 ILE 29 2HG1 ILE 29 -1.452 2.832 -2.711
188 HG21 ILE 29 1HG2 ILE 29 0.767 6.176 -1.549
189 HG22 ILE 29 2HG2 ILE 29 0.835 5.451 -3.154
190 HG23 ILE 29 3HG2 ILE 29 -0.436 6.609 -2.763
191 HD11 ILE 29 3HD1 ILE 29 -2.312 3.975 -4.860
192 HD12 ILE 29 1HD1 ILE 29 -3.239 4.128 -3.368
193 HD13 ILE 29 2HD1 ILE 29 -2.212 5.456 -3.909
194 H VAL 30 H VAL 30 -1.379 4.820 1.004
195 HA VAL 30 HA VAL 30 0.295 6.887 1.893
196 HB VAL 30 HB VAL 30 -1.831 5.441 3.480
197 HG11 VAL 30 1HG1 VAL 30 -0.631 8.188 3.819
198 HG12 VAL 30 2HG1 VAL 30 -1.977 7.532 4.753
199 HG13 VAL 30 3HG1 VAL 30 -0.377 6.801 4.879
200 HG21 VAL 30 3HG2 VAL 30 -3.336 6.351 2.125
201 HG22 VAL 30 1HG2 VAL 30 -2.706 7.955 2.503
202 HG23 VAL 30 2HG2 VAL 30 -2.046 7.046 1.144
203 H HIS 31 H HIS 31 0.464 3.522 2.404
204 HA HIS 31 HA HIS 31 2.060 3.787 4.837
205 HB2 HIS 31 1HB HIS 31 0.509 1.997 4.970
206 HB3 HIS 31 2HB HIS 31 0.924 1.417 3.360
207 HD1 HIS 31 HD1 HIS 31 2.438 1.663 6.826
208 HD2 HIS 31 HD2 HIS 31 2.855 -0.508 3.308
209 HE1 HIS 31 HE1 HIS 31 4.092 -0.157 7.351
210 H GLN 32 H GLN 32 2.350 2.485 1.543
211 HA GLN 32 HA GLN 32 4.902 1.532 1.546
212 HB2 GLN 32 1HB GLN 32 3.376 3.030 -0.567
213 HB3 GLN 32 2HB GLN 32 5.003 2.435 -0.869
214 HG2 GLN 32 1HG GLN 32 4.279 0.162 -0.415
215 HG3 GLN 32 2HG GLN 32 2.653 0.741 -0.054
216 HE21 GLN 32 1HE2 GLN 32 4.178 -0.913 -2.252
217 HE22 GLN 32 2HE2 GLN 32 3.413 -0.372 -3.703
218 H ARG 33 H ARG 33 3.891 4.889 1.538
219 HA ARG 33 HA ARG 33 6.379 6.053 0.915
220 HB2 ARG 33 1HB ARG 33 5.432 8.100 1.968
221 HB3 ARG 33 2HB ARG 33 4.363 7.365 0.781
222 HG2 ARG 33 1HG ARG 33 3.048 6.361 2.567
223 HG3 ARG 33 2HG ARG 33 4.132 7.066 3.768
224 HD2 ARG 33 1HD ARG 33 3.521 9.302 2.534
225 HD3 ARG 33 2HD ARG 33 2.104 8.384 2.025
226 HE ARG 33 HE ARG 33 2.084 7.961 4.658
227 HH11 ARG 33 1HH1 ARG 33 2.510 10.884 2.815
228 HH12 ARG 33 2HH1 ARG 33 1.807 11.905 4.026
229 HH21 ARG 33 1HH2 ARG 33 1.157 9.295 6.260
230 HH22 ARG 33 2HH2 ARG 33 1.039 11.000 5.986
231 H THR 34 H THR 34 4.922 5.058 3.969
232 HA THR 34 HA THR 34 6.719 6.207 5.750
233 HB THR 34 HB THR 34 6.028 4.565 7.369
234 HG1 THR 34 HG1 THR 34 5.554 2.588 6.785
235 HG21 THR 34 3HG2 THR 34 4.225 5.940 7.265
236 HG22 THR 34 1HG2 THR 34 3.442 4.488 6.642
237 HG23 THR 34 2HG2 THR 34 4.024 5.723 5.526
238 H HIS 35 H HIS 35 7.172 3.606 3.547
239 HA HIS 35 HA HIS 35 9.411 2.428 4.918
240 HB2 HIS 35 1HB HIS 35 8.035 1.998 2.304
241 HB3 HIS 35 2HB HIS 35 9.679 1.393 2.490
242 HD1 HIS 35 HD1 HIS 35 9.874 -0.022 4.967
243 HD2 HIS 35 HD2 HIS 35 6.250 0.088 2.937
244 HE1 HIS 35 HE1 HIS 35 8.558 -1.981 5.834
245 H THR 36 H THR 36 10.155 4.898 4.977
246 HA THR 36 HA THR 36 12.189 5.140 2.866
247 HB THR 36 HB THR 36 10.709 6.828 2.209
248 HG1 THR 36 HG1 THR 36 13.016 7.491 3.149
249 HG21 THR 36 3HG2 THR 36 10.443 7.905 4.999
250 HG22 THR 36 1HG2 THR 36 9.386 6.622 4.411
251 HG23 THR 36 2HG2 THR 36 9.409 8.188 3.599
252 H GLY 37 H GLY 37 11.183 6.287 6.086
253 HA2 GLY 37 1HA GLY 37 13.168 5.554 7.673
254 HA3 GLY 37 2HA GLY 37 13.971 6.831 6.771
255 H GLU 38 H GLU 38 13.428 8.972 7.141
256 HA GLU 38 HA GLU 38 12.672 10.784 8.294
257 HB2 GLU 38 1HB GLU 38 10.429 9.653 7.724
258 HB3 GLU 38 2HB GLU 38 10.434 9.100 9.392
259 HG2 GLU 38 1HG GLU 38 10.582 11.442 10.140
260 HG3 GLU 38 2HG GLU 38 10.484 11.960 8.458
261 H LYS 39 H LYS 39 14.622 9.120 9.451
262 HA LYS 39 HA LYS 39 13.987 9.367 12.319
263 HB2 LYS 39 1HB LYS 39 15.588 7.581 12.745
264 HB3 LYS 39 2HB LYS 39 14.355 7.037 11.614
265 HG2 LYS 39 1HG LYS 39 16.195 6.229 10.566
266 HG3 LYS 39 2HG LYS 39 16.149 7.837 9.841
267 HD2 LYS 39 1HD LYS 39 17.767 8.634 11.487
268 HD3 LYS 39 2HD LYS 39 17.798 7.037 12.240
269 HE2 LYS 39 1HE LYS 39 18.494 7.486 9.348
270 HE3 LYS 39 2HE LYS 39 19.691 7.583 10.638
271 HZ1 LYS 39 3HZ LYS 39 18.056 5.200 10.682
272 HZ2 LYS 39 1HZ LYS 39 19.728 5.371 10.878
273 HZ3 LYS 39 2HZ LYS 39 19.058 5.335 9.325
274 HA PRO 40 HA PRO 40 17.231 12.294 12.755
275 HB2 PRO 40 1HB PRO 40 18.063 11.764 15.284
276 HB3 PRO 40 2HB PRO 40 16.528 12.564 14.925
277 HG2 PRO 40 1HG PRO 40 17.058 9.694 15.592
278 HG3 PRO 40 2HG PRO 40 15.762 10.757 16.172
279 HD2 PRO 40 1HD PRO 40 15.383 8.935 14.204
280 HD3 PRO 40 2HD PRO 40 14.508 10.479 14.258
281 H SER 41 H SER 41 19.346 12.432 12.258
282 HA SER 41 HA SER 41 20.895 10.513 11.257
283 HB2 SER 41 1HB SER 41 21.514 12.936 11.438
284 HB3 SER 41 2HB SER 41 22.035 12.629 13.095
285 HG SER 41 HG SER 41 23.597 11.221 12.306
286 H GLY 42 H GLY 42 21.767 8.652 11.887
287 HA2 GLY 42 1HA GLY 42 21.890 8.086 14.769
288 HA3 GLY 42 2HA GLY 42 21.831 6.881 13.491
289 HA PRO 43 HA PRO 43 26.202 7.075 14.922
290 HB2 PRO 43 1HB PRO 43 26.602 4.395 14.755
291 HB3 PRO 43 2HB PRO 43 25.899 5.174 16.177
292 HG2 PRO 43 1HG PRO 43 24.531 3.749 13.928
293 HG3 PRO 43 2HG PRO 43 24.210 3.658 15.670
294 HD2 PRO 43 1HD PRO 43 22.705 5.153 13.987
295 HD3 PRO 43 2HD PRO 43 22.996 5.617 15.676
296 H SER 44 H SER 44 24.610 6.558 12.085
297 HA SER 44 HA SER 44 26.992 5.699 10.605
298 HB2 SER 44 1HB SER 44 24.058 5.727 9.994
299 HB3 SER 44 2HB SER 44 25.219 5.735 8.666
300 HG SER 44 HG SER 44 24.854 3.785 10.679
301 H SER 45 H SER 45 28.034 6.994 9.181
302 HA SER 45 HA SER 45 27.112 9.785 9.025
303 HB2 SER 45 1HB SER 45 29.399 10.451 8.766
304 HB3 SER 45 2HB SER 45 29.346 9.315 10.114
305 HG SER 45 HG SER 45 30.483 9.043 7.596
306 H GLY 46 H GLY 46 25.931 7.973 7.305
307 HA2 GLY 46 1HA GLY 46 27.311 8.332 4.735
308 HA3 GLY 46 2HA GLY 46 25.993 7.211 5.043
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.278 -31.120 1.482
2 HA2 GLY 1 1HA GLY 1 9.149 -28.680 1.686
3 HA3 GLY 1 2HA GLY 1 7.417 -28.942 1.835
4 H SER 2 H SER 2 9.889 -27.340 3.178
5 HA SER 2 HA SER 2 8.598 -27.322 5.822
6 HB2 SER 2 1HB SER 2 11.556 -27.373 5.214
7 HB3 SER 2 2HB SER 2 10.910 -26.882 6.780
8 HG SER 2 HG SER 2 9.978 -29.286 5.750
9 H SER 3 H SER 3 10.724 -25.578 3.580
10 HA SER 3 HA SER 3 10.308 -23.059 4.909
11 HB2 SER 3 1HB SER 3 12.426 -23.339 3.847
12 HB3 SER 3 2HB SER 3 11.676 -23.830 2.328
13 HG SER 3 HG SER 3 11.922 -21.786 1.869
14 H GLY 4 H GLY 4 8.488 -21.940 4.731
15 HA2 GLY 4 1HA GLY 4 7.397 -20.809 2.543
16 HA3 GLY 4 2HA GLY 4 6.665 -22.407 2.530
17 H SER 5 H SER 5 7.419 -20.075 5.118
18 HA SER 5 HA SER 5 4.655 -20.397 6.069
19 HB2 SER 5 1HB SER 5 6.373 -21.045 7.695
20 HB3 SER 5 2HB SER 5 7.114 -19.450 7.562
21 HG SER 5 HG SER 5 4.402 -19.650 8.247
22 H SER 6 H SER 6 3.494 -18.550 6.802
23 HA SER 6 HA SER 6 2.603 -16.488 6.380
24 HB2 SER 6 1HB SER 6 5.465 -15.890 7.107
25 HB3 SER 6 2HB SER 6 4.307 -14.598 6.789
26 HG SER 6 HG SER 6 4.428 -15.172 9.019
27 H GLY 7 H GLY 7 3.218 -17.847 4.025
28 HA2 GLY 7 1HA GLY 7 4.788 -16.555 2.150
29 HA3 GLY 7 2HA GLY 7 3.316 -17.436 1.768
30 H THR 8 H THR 8 1.547 -16.335 1.128
31 HA THR 8 HA THR 8 1.708 -13.392 1.207
32 HB THR 8 HB THR 8 0.267 -13.449 -0.864
33 HG1 THR 8 HG1 THR 8 0.846 -15.711 -1.919
34 HG21 THR 8 3HG2 THR 8 2.917 -14.821 -1.269
35 HG22 THR 8 1HG2 THR 8 2.783 -13.122 -0.817
36 HG23 THR 8 2HG2 THR 8 2.103 -13.685 -2.344
37 H GLY 9 H GLY 9 -0.091 -12.239 1.798
38 HA2 GLY 9 1HA GLY 9 -2.002 -13.543 3.439
39 HA3 GLY 9 2HA GLY 9 -2.041 -11.855 2.952
40 H GLU 10 H GLU 10 -4.402 -12.356 2.939
41 HA GLU 10 HA GLU 10 -5.205 -13.626 0.406
42 HB2 GLU 10 1HB GLU 10 -6.067 -14.601 2.589
43 HB3 GLU 10 2HB GLU 10 -6.992 -13.118 2.782
44 HG2 GLU 10 1HG GLU 10 -8.583 -14.353 1.775
45 HG3 GLU 10 2HG GLU 10 -7.776 -13.768 0.322
46 H LYS 11 H LYS 11 -4.353 -10.774 1.126
47 HA LYS 11 HA LYS 11 -6.775 -9.355 0.261
48 HB2 LYS 11 1HB LYS 11 -4.345 -8.563 1.799
49 HB3 LYS 11 2HB LYS 11 -5.151 -7.335 0.831
50 HG2 LYS 11 1HG LYS 11 -6.120 -7.101 2.921
51 HG3 LYS 11 2HG LYS 11 -7.292 -8.084 2.040
52 HD2 LYS 11 1HD LYS 11 -6.763 -10.002 3.214
53 HD3 LYS 11 2HD LYS 11 -5.152 -9.420 3.642
54 HE2 LYS 11 1HE LYS 11 -7.752 -8.355 4.742
55 HE3 LYS 11 2HE LYS 11 -6.671 -9.471 5.575
56 HZ1 LYS 11 3HZ LYS 11 -5.346 -7.811 6.190
57 HZ2 LYS 11 1HZ LYS 11 -6.582 -6.756 5.720
58 HZ3 LYS 11 2HZ LYS 11 -5.327 -7.120 4.646
59 HA PRO 12 HA PRO 12 -5.151 -8.725 -3.777
60 HB2 PRO 12 1HB PRO 12 -6.437 -6.427 -4.434
61 HB3 PRO 12 2HB PRO 12 -7.252 -7.993 -4.352
62 HG2 PRO 12 1HG PRO 12 -7.180 -5.787 -2.330
63 HG3 PRO 12 2HG PRO 12 -8.552 -6.781 -2.853
64 HD2 PRO 12 1HD PRO 12 -7.206 -7.252 -0.551
65 HD3 PRO 12 2HD PRO 12 -7.944 -8.552 -1.509
66 H PHE 13 H PHE 13 -4.855 -6.258 -1.327
67 HA PHE 13 HA PHE 13 -2.668 -5.008 -2.851
68 HB2 PHE 13 1HB PHE 13 -4.145 -3.816 -0.501
69 HB3 PHE 13 2HB PHE 13 -3.033 -2.996 -1.591
70 HD1 PHE 13 HD1 PHE 13 -3.709 -2.545 -3.930
71 HD2 PHE 13 HD2 PHE 13 -6.430 -4.090 -1.045
72 HE1 PHE 13 HE1 PHE 13 -5.597 -1.885 -5.363
73 HE2 PHE 13 HE2 PHE 13 -8.323 -3.434 -2.474
74 HZ PHE 13 HZ PHE 13 -7.908 -2.330 -4.636
75 H GLU 14 H GLU 14 -0.733 -5.705 -2.246
76 HA GLU 14 HA GLU 14 -0.212 -6.070 0.627
77 HB2 GLU 14 1HB GLU 14 -0.447 -8.264 -0.517
78 HB3 GLU 14 2HB GLU 14 0.878 -7.819 -1.584
79 HG2 GLU 14 1HG GLU 14 2.353 -7.634 0.388
80 HG3 GLU 14 2HG GLU 14 1.022 -8.196 1.398
81 H CYS 15 H CYS 15 1.563 -5.082 1.379
82 HA CYS 15 HA CYS 15 2.906 -3.131 -0.043
83 HB2 CYS 15 1HB CYS 15 2.832 -3.741 2.536
84 HB3 CYS 15 2HB CYS 15 4.358 -4.533 2.157
85 H SER 16 H SER 16 5.510 -3.232 -0.026
86 HA SER 16 HA SER 16 6.251 -5.635 -1.564
87 HB2 SER 16 1HB SER 16 7.169 -2.793 -2.065
88 HB3 SER 16 2HB SER 16 7.663 -4.216 -2.982
89 HG SER 16 HG SER 16 5.718 -4.324 -3.903
90 H GLU 17 H GLU 17 7.165 -3.247 0.798
91 HA GLU 17 HA GLU 17 9.860 -4.294 1.062
92 HB2 GLU 17 1HB GLU 17 8.335 -2.072 2.397
93 HB3 GLU 17 2HB GLU 17 9.881 -2.621 3.029
94 HG2 GLU 17 1HG GLU 17 9.306 -1.356 0.371
95 HG3 GLU 17 2HG GLU 17 10.345 -0.763 1.665
96 H CYS 18 H CYS 18 7.137 -3.819 3.323
97 HA CYS 18 HA CYS 18 8.209 -5.920 5.034
98 HB2 CYS 18 1HB CYS 18 6.493 -5.204 6.637
99 HB3 CYS 18 2HB CYS 18 7.458 -3.838 6.087
100 H GLN 19 H GLN 19 5.913 -5.543 2.564
101 HA GLN 19 HA GLN 19 4.382 -6.941 1.631
102 HB2 GLN 19 1HB GLN 19 5.906 -8.908 3.330
103 HB3 GLN 19 2HB GLN 19 4.572 -9.401 2.295
104 HG2 GLN 19 1HG GLN 19 7.012 -7.948 1.305
105 HG3 GLN 19 2HG GLN 19 6.839 -9.702 1.307
106 HE21 GLN 19 1HE2 GLN 19 7.328 -8.556 -1.039
107 HE22 GLN 19 2HE2 GLN 19 5.919 -8.537 -2.038
108 H LYS 20 H LYS 20 3.267 -5.397 3.447
109 HA LYS 20 HA LYS 20 1.830 -7.003 5.403
110 HB2 LYS 20 1HB LYS 20 2.772 -4.538 5.640
111 HB3 LYS 20 2HB LYS 20 1.217 -4.120 4.933
112 HG2 LYS 20 1HG LYS 20 0.648 -4.036 7.123
113 HG3 LYS 20 2HG LYS 20 0.338 -5.748 6.829
114 HD2 LYS 20 1HD LYS 20 3.071 -4.927 7.678
115 HD3 LYS 20 2HD LYS 20 1.785 -4.942 8.887
116 HE2 LYS 20 1HE LYS 20 1.318 -7.322 7.831
117 HE3 LYS 20 2HE LYS 20 3.018 -7.194 7.382
118 HZ1 LYS 20 3HZ LYS 20 1.929 -7.873 9.870
119 HZ2 LYS 20 1HZ LYS 20 2.759 -6.410 10.054
120 HZ3 LYS 20 2HZ LYS 20 3.560 -7.766 9.435
121 H ALA 21 H ALA 21 -0.499 -6.976 5.537
122 HA ALA 21 HA ALA 21 -1.719 -7.121 2.894
123 HB1 ALA 21 3HB ALA 21 -3.679 -8.027 4.340
124 HB2 ALA 21 1HB ALA 21 -2.251 -9.028 4.081
125 HB3 ALA 21 2HB ALA 21 -2.452 -8.155 5.600
126 H PHE 22 H PHE 22 -3.333 -5.825 2.176
127 HA PHE 22 HA PHE 22 -4.449 -3.832 4.017
128 HB2 PHE 22 1HB PHE 22 -3.179 -3.272 1.334
129 HB3 PHE 22 2HB PHE 22 -4.233 -2.128 2.159
130 HD1 PHE 22 HD1 PHE 22 -3.516 -1.029 4.210
131 HD2 PHE 22 HD2 PHE 22 -0.945 -3.688 2.103
132 HE1 PHE 22 HE1 PHE 22 -1.591 -0.168 5.477
133 HE2 PHE 22 HE2 PHE 22 0.983 -2.832 3.368
134 HZ PHE 22 HZ PHE 22 0.662 -1.070 5.058
135 H ASN 23 H ASN 23 -6.436 -2.839 3.239
136 HA ASN 23 HA ASN 23 -8.019 -4.758 1.712
137 HB2 ASN 23 1HB ASN 23 -8.770 -2.416 3.464
138 HB3 ASN 23 2HB ASN 23 -9.949 -3.320 2.518
139 HD21 ASN 23 1HD2 ASN 23 -9.697 -5.784 2.834
140 HD22 ASN 23 2HD2 ASN 23 -9.571 -6.302 4.477
141 H THR 24 H THR 24 -7.312 -1.277 1.752
142 HA THR 24 HA THR 24 -8.192 -1.156 -1.060
143 HB THR 24 HB THR 24 -8.671 1.240 -0.703
144 HG1 THR 24 HG1 THR 24 -8.870 1.581 1.809
145 HG21 THR 24 3HG2 THR 24 -10.262 -0.838 -0.093
146 HG22 THR 24 1HG2 THR 24 -10.777 0.843 0.045
147 HG23 THR 24 2HG2 THR 24 -10.221 -0.029 1.474
148 H LYS 25 H LYS 25 -6.941 0.004 -2.526
149 HA LYS 25 HA LYS 25 -4.174 -0.101 -2.215
150 HB2 LYS 25 1HB LYS 25 -5.270 -0.047 -4.403
151 HB3 LYS 25 2HB LYS 25 -5.797 1.605 -4.112
152 HG2 LYS 25 1HG LYS 25 -3.912 1.685 -5.556
153 HG3 LYS 25 2HG LYS 25 -3.397 2.268 -3.971
154 HD2 LYS 25 1HD LYS 25 -1.670 0.842 -4.491
155 HD3 LYS 25 2HD LYS 25 -2.742 -0.246 -3.605
156 HE2 LYS 25 1HE LYS 25 -3.625 -1.123 -5.672
157 HE3 LYS 25 2HE LYS 25 -2.692 0.045 -6.606
158 HZ1 LYS 25 3HZ LYS 25 -1.159 -1.640 -4.809
159 HZ2 LYS 25 1HZ LYS 25 -0.818 -1.150 -6.392
160 HZ3 LYS 25 2HZ LYS 25 -1.878 -2.439 -6.116
161 H SER 26 H SER 26 -6.269 2.787 -2.212
162 HA SER 26 HA SER 26 -4.514 4.781 -1.761
163 HB2 SER 26 1HB SER 26 -7.191 4.344 -0.428
164 HB3 SER 26 2HB SER 26 -6.285 5.852 -0.300
165 HG SER 26 HG SER 26 -6.799 6.336 -2.293
166 H ASN 27 H ASN 27 -5.796 2.632 0.764
167 HA ASN 27 HA ASN 27 -4.428 3.774 2.926
168 HB2 ASN 27 1HB ASN 27 -5.576 1.041 2.422
169 HB3 ASN 27 2HB ASN 27 -4.700 1.388 3.909
170 HD21 ASN 27 1HD2 ASN 27 -6.679 0.931 5.004
171 HD22 ASN 27 2HD2 ASN 27 -7.912 2.136 5.111
172 H LEU 28 H LEU 28 -3.528 1.100 0.774
173 HA LEU 28 HA LEU 28 -1.133 0.386 2.023
174 HB2 LEU 28 1HB LEU 28 -1.953 -1.100 0.420
175 HB3 LEU 28 2HB LEU 28 -2.132 0.166 -0.793
176 HG LEU 28 HG LEU 28 0.337 0.275 -0.980
177 HD11 LEU 28 1HD1 LEU 28 1.659 -1.565 -0.021
178 HD12 LEU 28 2HD1 LEU 28 0.235 -2.105 0.867
179 HD13 LEU 28 3HD1 LEU 28 0.947 -0.530 1.217
180 HD21 LEU 28 3HD2 LEU 28 -0.118 -1.052 -2.704
181 HD22 LEU 28 1HD2 LEU 28 -1.403 -1.869 -1.815
182 HD23 LEU 28 2HD2 LEU 28 0.264 -2.425 -1.664
183 H ILE 29 H ILE 29 -1.611 2.523 -0.793
184 HA ILE 29 HA ILE 29 0.973 3.322 -1.227
185 HB ILE 29 HB ILE 29 -1.506 5.037 -1.407
186 HG12 ILE 29 1HG1 ILE 29 -0.067 3.676 -3.673
187 HG13 ILE 29 2HG1 ILE 29 -1.307 2.838 -2.746
188 HG21 ILE 29 1HG2 ILE 29 1.256 5.448 -2.539
189 HG22 ILE 29 2HG2 ILE 29 -0.168 6.362 -3.035
190 HG23 ILE 29 3HG2 ILE 29 0.414 6.470 -1.374
191 HD11 ILE 29 3HD1 ILE 29 -1.692 5.407 -4.266
192 HD12 ILE 29 1HD1 ILE 29 -2.195 3.803 -4.799
193 HD13 ILE 29 2HD1 ILE 29 -2.933 4.530 -3.371
194 H VAL 30 H VAL 30 -1.362 4.900 0.955
195 HA VAL 30 HA VAL 30 0.283 6.905 1.936
196 HB VAL 30 HB VAL 30 -1.905 5.402 3.376
197 HG11 VAL 30 1HG1 VAL 30 -2.005 7.339 4.878
198 HG12 VAL 30 2HG1 VAL 30 -0.448 6.514 4.978
199 HG13 VAL 30 3HG1 VAL 30 -0.591 8.025 4.079
200 HG21 VAL 30 3HG2 VAL 30 -3.316 7.272 2.742
201 HG22 VAL 30 1HG2 VAL 30 -1.954 8.056 1.943
202 HG23 VAL 30 2HG2 VAL 30 -2.597 6.542 1.306
203 H HIS 31 H HIS 31 0.375 3.516 2.531
204 HA HIS 31 HA HIS 31 1.993 3.797 4.936
205 HB2 HIS 31 1HB HIS 31 0.493 1.996 5.113
206 HB3 HIS 31 2HB HIS 31 0.811 1.452 3.469
207 HD1 HIS 31 HD1 HIS 31 2.544 1.614 6.839
208 HD2 HIS 31 HD2 HIS 31 2.681 -0.518 3.275
209 HE1 HIS 31 HE1 HIS 31 4.192 -0.245 7.230
210 H GLN 32 H GLN 32 2.330 2.245 1.742
211 HA GLN 32 HA GLN 32 4.903 1.416 1.790
212 HB2 GLN 32 1HB GLN 32 3.241 2.625 -0.377
213 HB3 GLN 32 2HB GLN 32 4.942 2.309 -0.694
214 HG2 GLN 32 1HG GLN 32 4.540 -0.055 0.026
215 HG3 GLN 32 2HG GLN 32 2.819 0.323 0.063
216 HE21 GLN 32 1HE2 GLN 32 4.550 -1.479 -1.627
217 HE22 GLN 32 2HE2 GLN 32 4.115 -1.084 -3.251
218 H ARG 33 H ARG 33 3.813 4.746 1.357
219 HA ARG 33 HA ARG 33 6.273 5.917 0.741
220 HB2 ARG 33 1HB ARG 33 5.265 8.019 1.586
221 HB3 ARG 33 2HB ARG 33 4.208 7.147 0.485
222 HG2 ARG 33 1HG ARG 33 2.927 6.290 2.367
223 HG3 ARG 33 2HG ARG 33 4.003 7.126 3.489
224 HD2 ARG 33 1HD ARG 33 2.110 8.511 3.278
225 HD3 ARG 33 2HD ARG 33 3.360 9.264 2.288
226 HE ARG 33 HE ARG 33 1.917 7.601 0.611
227 HH11 ARG 33 1HH1 ARG 33 1.322 10.406 2.586
228 HH12 ARG 33 2HH1 ARG 33 0.049 11.008 1.577
229 HH21 ARG 33 1HH2 ARG 33 0.243 8.383 -0.725
230 HH22 ARG 33 2HH2 ARG 33 -0.565 9.856 -0.306
231 H THR 34 H THR 34 4.805 5.131 3.849
232 HA THR 34 HA THR 34 6.389 6.465 5.626
233 HB THR 34 HB THR 34 5.960 4.741 7.245
234 HG1 THR 34 HG1 THR 34 6.518 2.901 6.056
235 HG21 THR 34 3HG2 THR 34 3.448 4.168 6.269
236 HG22 THR 34 1HG2 THR 34 3.877 5.650 5.416
237 HG23 THR 34 2HG2 THR 34 3.895 5.610 7.180
238 H HIS 35 H HIS 35 7.212 3.576 3.788
239 HA HIS 35 HA HIS 35 9.620 2.958 5.112
240 HB2 HIS 35 1HB HIS 35 8.700 2.393 2.290
241 HB3 HIS 35 2HB HIS 35 10.180 1.736 2.982
242 HD1 HIS 35 HD1 HIS 35 9.615 0.425 5.424
243 HD2 HIS 35 HD2 HIS 35 6.647 0.667 2.527
244 HE1 HIS 35 HE1 HIS 35 7.978 -1.400 5.985
245 H THR 36 H THR 36 9.073 4.708 2.053
246 HA THR 36 HA THR 36 11.827 5.611 2.016
247 HB THR 36 HB THR 36 10.767 4.987 -0.100
248 HG1 THR 36 HG1 THR 36 12.379 6.623 -0.137
249 HG21 THR 36 3HG2 THR 36 8.762 5.725 -0.792
250 HG22 THR 36 1HG2 THR 36 9.108 7.388 -0.317
251 HG23 THR 36 2HG2 THR 36 8.529 6.230 0.881
252 H GLY 37 H GLY 37 12.548 7.529 2.709
253 HA2 GLY 37 1HA GLY 37 10.549 9.621 3.306
254 HA3 GLY 37 2HA GLY 37 11.837 9.228 4.435
255 H GLU 38 H GLU 38 10.917 11.124 1.784
256 HA GLU 38 HA GLU 38 13.635 12.225 1.629
257 HB2 GLU 38 1HB GLU 38 13.366 10.842 -0.346
258 HB3 GLU 38 2HB GLU 38 11.831 11.614 -0.717
259 HG2 GLU 38 1HG GLU 38 13.123 13.780 -0.912
260 HG3 GLU 38 2HG GLU 38 14.585 12.795 -0.871
261 H LYS 39 H LYS 39 13.760 14.415 1.540
262 HA LYS 39 HA LYS 39 11.346 15.977 1.046
263 HB2 LYS 39 1HB LYS 39 11.477 15.478 3.513
264 HB3 LYS 39 2HB LYS 39 12.983 16.386 3.552
265 HG2 LYS 39 1HG LYS 39 11.807 18.387 2.809
266 HG3 LYS 39 2HG LYS 39 10.294 17.479 2.743
267 HD2 LYS 39 1HD LYS 39 11.926 17.696 5.260
268 HD3 LYS 39 2HD LYS 39 10.710 18.898 4.822
269 HE2 LYS 39 1HE LYS 39 10.041 15.977 4.890
270 HE3 LYS 39 2HE LYS 39 10.033 16.942 6.366
271 HZ1 LYS 39 3HZ LYS 39 8.556 18.510 4.931
272 HZ2 LYS 39 1HZ LYS 39 7.877 17.151 5.675
273 HZ3 LYS 39 2HZ LYS 39 8.264 17.109 4.029
274 HA PRO 40 HA PRO 40 14.331 18.466 -1.059
275 HB2 PRO 40 1HB PRO 40 12.744 20.621 -1.516
276 HB3 PRO 40 2HB PRO 40 12.595 19.109 -2.420
277 HG2 PRO 40 1HG PRO 40 10.975 20.100 -0.106
278 HG3 PRO 40 2HG PRO 40 10.430 19.302 -1.593
279 HD2 PRO 40 1HD PRO 40 10.688 17.983 0.757
280 HD3 PRO 40 2HD PRO 40 10.968 17.201 -0.812
281 H SER 41 H SER 41 15.237 20.707 -0.932
282 HA SER 41 HA SER 41 16.429 21.341 1.364
283 HB2 SER 41 1HB SER 41 15.297 23.313 -0.632
284 HB3 SER 41 2HB SER 41 16.445 23.748 0.634
285 HG SER 41 HG SER 41 17.948 23.070 -0.649
286 H GLY 42 H GLY 42 13.351 22.905 0.442
287 HA2 GLY 42 1HA GLY 42 11.555 23.515 1.760
288 HA3 GLY 42 2HA GLY 42 12.309 22.670 3.103
289 HA PRO 43 HA PRO 43 13.747 27.331 2.887
290 HB2 PRO 43 1HB PRO 43 11.707 28.965 2.154
291 HB3 PRO 43 2HB PRO 43 12.878 28.313 1.001
292 HG2 PRO 43 1HG PRO 43 10.107 27.367 1.627
293 HG3 PRO 43 2HG PRO 43 10.900 27.543 0.051
294 HD2 PRO 43 1HD PRO 43 10.658 25.154 1.302
295 HD3 PRO 43 2HD PRO 43 12.041 25.551 0.263
296 H SER 44 H SER 44 11.269 25.617 4.229
297 HA SER 44 HA SER 44 10.083 27.561 5.937
298 HB2 SER 44 1HB SER 44 10.236 24.568 6.359
299 HB3 SER 44 2HB SER 44 9.079 25.682 7.089
300 HG SER 44 HG SER 44 9.261 25.568 4.297
301 H SER 45 H SER 45 10.197 27.253 8.390
302 HA SER 45 HA SER 45 12.999 27.458 9.148
303 HB2 SER 45 1HB SER 45 11.439 29.212 9.885
304 HB3 SER 45 2HB SER 45 10.489 28.006 10.752
305 HG SER 45 HG SER 45 11.841 28.168 12.339
306 H GLY 46 H GLY 46 14.087 25.850 10.062
307 HA2 GLY 46 1HA GLY 46 12.688 23.438 10.862
308 HA3 GLY 46 2HA GLY 46 14.430 23.653 10.762
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.485 -9.780 9.669
2 HA2 GLY 1 1HA GLY 1 0.468 -8.658 12.123
3 HA3 GLY 1 2HA GLY 1 -0.791 -9.256 11.054
4 H SER 2 H SER 2 2.345 -10.310 12.382
5 HA SER 2 HA SER 2 1.519 -13.080 12.279
6 HB2 SER 2 1HB SER 2 4.039 -11.688 13.175
7 HB3 SER 2 2HB SER 2 3.793 -13.417 13.420
8 HG SER 2 HG SER 2 3.930 -11.990 10.981
9 H SER 3 H SER 3 -0.301 -12.950 13.704
10 HA SER 3 HA SER 3 0.455 -12.786 16.549
11 HB2 SER 3 1HB SER 3 -2.274 -12.252 15.350
12 HB3 SER 3 2HB SER 3 -1.821 -12.077 17.046
13 HG SER 3 HG SER 3 -1.818 -10.135 15.565
14 H GLY 4 H GLY 4 -1.229 -14.044 17.939
15 HA2 GLY 4 1HA GLY 4 -1.093 -16.784 17.062
16 HA3 GLY 4 2HA GLY 4 -1.710 -16.210 18.604
17 H SER 5 H SER 5 -2.501 -16.691 15.206
18 HA SER 5 HA SER 5 -5.145 -17.525 15.811
19 HB2 SER 5 1HB SER 5 -5.162 -14.914 15.971
20 HB3 SER 5 2HB SER 5 -5.125 -14.986 14.209
21 HG SER 5 HG SER 5 -7.107 -15.762 14.181
22 H SER 6 H SER 6 -6.472 -17.609 13.647
23 HA SER 6 HA SER 6 -4.620 -18.408 11.497
24 HB2 SER 6 1HB SER 6 -6.282 -20.167 10.899
25 HB3 SER 6 2HB SER 6 -5.585 -20.396 12.502
26 HG SER 6 HG SER 6 -8.084 -19.157 11.974
27 H GLY 7 H GLY 7 -4.957 -17.535 9.547
28 HA2 GLY 7 1HA GLY 7 -7.197 -17.015 8.157
29 HA3 GLY 7 2HA GLY 7 -7.128 -15.635 9.244
30 H THR 8 H THR 8 -5.317 -17.377 6.756
31 HA THR 8 HA THR 8 -3.149 -15.810 6.338
32 HB THR 8 HB THR 8 -3.310 -16.326 3.917
33 HG1 THR 8 HG1 THR 8 -5.151 -16.999 3.059
34 HG21 THR 8 3HG2 THR 8 -2.547 -17.989 5.691
35 HG22 THR 8 1HG2 THR 8 -3.032 -18.659 4.134
36 HG23 THR 8 2HG2 THR 8 -4.131 -18.743 5.512
37 H GLY 9 H GLY 9 -2.665 -14.047 4.880
38 HA2 GLY 9 1HA GLY 9 -4.218 -11.777 5.287
39 HA3 GLY 9 2HA GLY 9 -2.987 -11.935 4.042
40 H GLU 10 H GLU 10 -3.813 -13.446 2.158
41 HA GLU 10 HA GLU 10 -5.111 -13.426 0.278
42 HB2 GLU 10 1HB GLU 10 -6.362 -14.969 1.770
43 HB3 GLU 10 2HB GLU 10 -7.338 -13.612 2.314
44 HG2 GLU 10 1HG GLU 10 -8.731 -14.396 0.725
45 HG3 GLU 10 2HG GLU 10 -7.737 -13.365 -0.303
46 H LYS 11 H LYS 11 -4.339 -10.950 0.607
47 HA LYS 11 HA LYS 11 -6.768 -9.307 0.314
48 HB2 LYS 11 1HB LYS 11 -4.059 -8.607 1.434
49 HB3 LYS 11 2HB LYS 11 -5.210 -7.378 0.927
50 HG2 LYS 11 1HG LYS 11 -5.852 -9.494 2.962
51 HG3 LYS 11 2HG LYS 11 -5.193 -7.910 3.378
52 HD2 LYS 11 1HD LYS 11 -7.195 -7.039 1.927
53 HD3 LYS 11 2HD LYS 11 -7.876 -8.628 2.282
54 HE2 LYS 11 1HE LYS 11 -7.378 -8.125 4.723
55 HE3 LYS 11 2HE LYS 11 -7.085 -6.463 4.214
56 HZ1 LYS 11 3HZ LYS 11 -9.584 -7.910 4.457
57 HZ2 LYS 11 1HZ LYS 11 -9.450 -6.937 3.079
58 HZ3 LYS 11 2HZ LYS 11 -9.270 -6.255 4.616
59 HA PRO 12 HA PRO 12 -5.536 -8.521 -3.838
60 HB2 PRO 12 1HB PRO 12 -6.842 -6.176 -4.243
61 HB3 PRO 12 2HB PRO 12 -7.670 -7.736 -4.165
62 HG2 PRO 12 1HG PRO 12 -7.366 -5.644 -2.045
63 HG3 PRO 12 2HG PRO 12 -8.799 -6.593 -2.484
64 HD2 PRO 12 1HD PRO 12 -7.244 -7.203 -0.353
65 HD3 PRO 12 2HD PRO 12 -8.092 -8.441 -1.302
66 H PHE 13 H PHE 13 -4.901 -6.265 -1.274
67 HA PHE 13 HA PHE 13 -2.771 -5.049 -2.907
68 HB2 PHE 13 1HB PHE 13 -4.226 -3.684 -0.639
69 HB3 PHE 13 2HB PHE 13 -3.079 -2.960 -1.762
70 HD1 PHE 13 HD1 PHE 13 -3.725 -2.744 -4.180
71 HD2 PHE 13 HD2 PHE 13 -6.512 -3.787 -1.137
72 HE1 PHE 13 HE1 PHE 13 -5.580 -2.104 -5.665
73 HE2 PHE 13 HE2 PHE 13 -8.371 -3.150 -2.617
74 HZ PHE 13 HZ PHE 13 -7.907 -2.308 -4.884
75 H GLU 14 H GLU 14 -0.787 -5.439 -2.197
76 HA GLU 14 HA GLU 14 -0.325 -5.770 0.676
77 HB2 GLU 14 1HB GLU 14 -0.591 -8.009 -0.585
78 HB3 GLU 14 2HB GLU 14 0.975 -7.635 -1.291
79 HG2 GLU 14 1HG GLU 14 1.676 -7.297 1.209
80 HG3 GLU 14 2HG GLU 14 0.275 -8.322 1.517
81 H CYS 15 H CYS 15 1.733 -5.193 1.381
82 HA CYS 15 HA CYS 15 3.066 -3.242 -0.205
83 HB2 CYS 15 1HB CYS 15 2.859 -3.524 2.417
84 HB3 CYS 15 2HB CYS 15 4.356 -4.428 2.215
85 H SER 16 H SER 16 5.601 -3.364 -0.234
86 HA SER 16 HA SER 16 6.341 -5.989 -1.354
87 HB2 SER 16 1HB SER 16 7.859 -4.761 -2.887
88 HB3 SER 16 2HB SER 16 6.168 -4.320 -3.123
89 HG SER 16 HG SER 16 6.942 -2.621 -1.386
90 H GLU 17 H GLU 17 7.309 -3.258 0.603
91 HA GLU 17 HA GLU 17 9.974 -4.250 1.065
92 HB2 GLU 17 1HB GLU 17 8.360 -1.957 2.136
93 HB3 GLU 17 2HB GLU 17 9.874 -2.414 2.902
94 HG2 GLU 17 1HG GLU 17 9.764 -1.914 -0.040
95 HG3 GLU 17 2HG GLU 17 9.864 -0.570 1.095
96 H CYS 18 H CYS 18 7.053 -3.861 3.069
97 HA CYS 18 HA CYS 18 8.202 -5.712 5.031
98 HB2 CYS 18 1HB CYS 18 6.579 -4.884 6.589
99 HB3 CYS 18 2HB CYS 18 7.297 -3.493 5.784
100 H GLN 19 H GLN 19 5.955 -5.586 2.490
101 HA GLN 19 HA GLN 19 4.488 -7.095 1.630
102 HB2 GLN 19 1HB GLN 19 5.792 -9.000 3.582
103 HB3 GLN 19 2HB GLN 19 4.777 -9.459 2.222
104 HG2 GLN 19 1HG GLN 19 7.183 -7.803 1.689
105 HG3 GLN 19 2HG GLN 19 7.400 -9.511 2.068
106 HE21 GLN 19 1HE2 GLN 19 7.314 -7.513 -0.410
107 HE22 GLN 19 2HE2 GLN 19 6.597 -8.511 -1.624
108 H LYS 20 H LYS 20 3.512 -5.417 3.602
109 HA LYS 20 HA LYS 20 1.965 -6.975 5.486
110 HB2 LYS 20 1HB LYS 20 2.713 -4.880 6.309
111 HB3 LYS 20 2HB LYS 20 2.152 -4.030 4.875
112 HG2 LYS 20 1HG LYS 20 -0.051 -4.063 5.553
113 HG3 LYS 20 2HG LYS 20 0.189 -5.448 6.621
114 HD2 LYS 20 1HD LYS 20 1.770 -3.803 7.903
115 HD3 LYS 20 2HD LYS 20 0.828 -2.564 7.070
116 HE2 LYS 20 1HE LYS 20 -0.162 -2.970 9.220
117 HE3 LYS 20 2HE LYS 20 -1.236 -3.605 7.975
118 HZ1 LYS 20 3HZ LYS 20 -1.146 -5.573 8.952
119 HZ2 LYS 20 1HZ LYS 20 -0.116 -4.961 10.148
120 HZ3 LYS 20 2HZ LYS 20 0.531 -5.637 8.739
121 H ALA 21 H ALA 21 -0.344 -6.972 5.577
122 HA ALA 21 HA ALA 21 -1.547 -7.074 2.927
123 HB1 ALA 21 3HB ALA 21 -2.245 -8.956 3.977
124 HB2 ALA 21 1HB ALA 21 -2.170 -8.224 5.580
125 HB3 ALA 21 2HB ALA 21 -3.536 -7.882 4.517
126 H PHE 22 H PHE 22 -3.290 -5.862 2.264
127 HA PHE 22 HA PHE 22 -4.311 -3.806 4.085
128 HB2 PHE 22 1HB PHE 22 -3.178 -3.291 1.330
129 HB3 PHE 22 2HB PHE 22 -4.139 -2.123 2.231
130 HD1 PHE 22 HD2 PHE 22 -0.977 -4.033 2.252
131 HD2 PHE 22 HD1 PHE 22 -3.175 -0.785 3.906
132 HE1 PHE 22 HE2 PHE 22 1.060 -3.232 3.375
133 HE2 PHE 22 HE1 PHE 22 -1.141 0.023 5.031
134 HZ PHE 22 HZ PHE 22 0.980 -1.201 4.767
135 H ASN 23 H ASN 23 -6.314 -2.808 3.329
136 HA ASN 23 HA ASN 23 -7.984 -4.776 1.986
137 HB2 ASN 23 1HB ASN 23 -8.876 -3.891 4.035
138 HB3 ASN 23 2HB ASN 23 -8.632 -2.235 3.488
139 HD21 ASN 23 1HD2 ASN 23 -10.749 -1.631 3.679
140 HD22 ASN 23 2HD2 ASN 23 -12.002 -2.239 2.657
141 H THR 24 H THR 24 -7.146 -1.339 1.666
142 HA THR 24 HA THR 24 -8.025 -1.481 -1.145
143 HB THR 24 HB THR 24 -8.460 0.997 -0.965
144 HG1 THR 24 HG1 THR 24 -8.873 1.663 1.289
145 HG21 THR 24 3HG2 THR 24 -10.185 -0.578 0.931
146 HG22 THR 24 1HG2 THR 24 -10.208 -0.854 -0.810
147 HG23 THR 24 2HG2 THR 24 -10.660 0.722 -0.161
148 H LYS 25 H LYS 25 -6.938 0.131 -2.564
149 HA LYS 25 HA LYS 25 -4.102 -0.046 -2.228
150 HB2 LYS 25 1HB LYS 25 -5.285 -0.188 -4.432
151 HB3 LYS 25 2HB LYS 25 -5.644 1.529 -4.297
152 HG2 LYS 25 1HG LYS 25 -3.763 1.372 -5.692
153 HG3 LYS 25 2HG LYS 25 -3.151 1.904 -4.125
154 HD2 LYS 25 1HD LYS 25 -2.369 -0.296 -3.607
155 HD3 LYS 25 2HD LYS 25 -3.171 -0.973 -5.026
156 HE2 LYS 25 1HE LYS 25 -1.007 -0.800 -5.780
157 HE3 LYS 25 2HE LYS 25 -1.676 0.740 -6.318
158 HZ1 LYS 25 3HZ LYS 25 -0.809 1.596 -4.073
159 HZ2 LYS 25 1HZ LYS 25 0.304 1.337 -5.321
160 HZ3 LYS 25 2HZ LYS 25 0.156 0.207 -4.072
161 H SER 26 H SER 26 -6.486 2.561 -2.080
162 HA SER 26 HA SER 26 -4.827 4.757 -1.902
163 HB2 SER 26 1HB SER 26 -6.680 5.752 -0.456
164 HB3 SER 26 2HB SER 26 -7.168 5.140 -2.036
165 HG SER 26 HG SER 26 -7.453 3.832 0.466
166 H ASN 27 H ASN 27 -5.796 2.514 0.653
167 HA ASN 27 HA ASN 27 -4.498 3.930 2.754
168 HB2 ASN 27 1HB ASN 27 -5.823 1.290 2.440
169 HB3 ASN 27 2HB ASN 27 -4.671 1.445 3.763
170 HD21 ASN 27 1HD2 ASN 27 -7.673 2.596 2.423
171 HD22 ASN 27 2HD2 ASN 27 -8.257 3.349 3.864
172 H LEU 28 H LEU 28 -3.597 1.170 0.727
173 HA LEU 28 HA LEU 28 -1.181 0.534 1.990
174 HB2 LEU 28 1HB LEU 28 -2.092 -1.012 0.450
175 HB3 LEU 28 2HB LEU 28 -2.140 0.191 -0.838
176 HG LEU 28 HG LEU 28 0.353 0.164 -0.864
177 HD11 LEU 28 1HD1 LEU 28 1.394 -0.727 0.884
178 HD12 LEU 28 2HD1 LEU 28 0.919 -2.308 0.264
179 HD13 LEU 28 3HD1 LEU 28 -0.086 -1.494 1.462
180 HD21 LEU 28 3HD2 LEU 28 -1.484 -1.760 -1.861
181 HD22 LEU 28 1HD2 LEU 28 0.011 -2.592 -1.434
182 HD23 LEU 28 2HD2 LEU 28 0.049 -1.234 -2.558
183 H ILE 29 H ILE 29 -1.797 2.629 -0.821
184 HA ILE 29 HA ILE 29 0.790 3.396 -1.393
185 HB ILE 29 HB ILE 29 -1.682 5.125 -1.541
186 HG12 ILE 29 1HG1 ILE 29 -0.385 3.522 -3.746
187 HG13 ILE 29 2HG1 ILE 29 -1.705 2.897 -2.764
188 HG21 ILE 29 1HG2 ILE 29 0.754 6.117 -1.707
189 HG22 ILE 29 2HG2 ILE 29 0.658 5.468 -3.344
190 HG23 ILE 29 3HG2 ILE 29 -0.528 6.651 -2.794
191 HD11 ILE 29 3HD1 ILE 29 -3.250 4.251 -3.736
192 HD12 ILE 29 1HD1 ILE 29 -2.080 5.520 -4.094
193 HD13 ILE 29 2HD1 ILE 29 -2.129 4.061 -5.084
194 H VAL 30 H VAL 30 -1.432 4.763 1.002
195 HA VAL 30 HA VAL 30 0.234 6.894 1.815
196 HB VAL 30 HB VAL 30 -1.935 5.459 3.354
197 HG11 VAL 30 1HG1 VAL 30 -0.072 7.521 4.144
198 HG12 VAL 30 2HG1 VAL 30 -1.741 8.083 4.254
199 HG13 VAL 30 3HG1 VAL 30 -1.240 6.628 5.116
200 HG21 VAL 30 3HG2 VAL 30 -3.369 6.530 2.041
201 HG22 VAL 30 1HG2 VAL 30 -2.669 8.072 2.533
202 HG23 VAL 30 2HG2 VAL 30 -2.030 7.222 1.126
203 H HIS 31 H HIS 31 0.221 3.515 2.549
204 HA HIS 31 HA HIS 31 1.857 3.799 4.923
205 HB2 HIS 31 1HB HIS 31 0.439 1.963 5.113
206 HB3 HIS 31 2HB HIS 31 0.664 1.487 3.433
207 HD1 HIS 31 HD1 HIS 31 2.270 1.233 6.811
208 HD2 HIS 31 HD2 HIS 31 2.828 -0.197 2.950
209 HE1 HIS 31 HE1 HIS 31 4.010 -0.572 7.007
210 H GLN 32 H GLN 32 2.264 2.317 1.704
211 HA GLN 32 HA GLN 32 4.792 1.452 1.706
212 HB2 GLN 32 1HB GLN 32 3.496 3.160 -0.419
213 HB3 GLN 32 2HB GLN 32 5.010 2.297 -0.656
214 HG2 GLN 32 1HG GLN 32 3.929 0.186 -0.377
215 HG3 GLN 32 2HG GLN 32 2.423 0.966 0.103
216 HE21 GLN 32 1HE2 GLN 32 2.107 -0.755 -1.810
217 HE22 GLN 32 2HE2 GLN 32 1.940 -0.013 -3.360
218 H ARG 33 H ARG 33 3.902 4.875 1.368
219 HA ARG 33 HA ARG 33 6.363 6.018 0.997
220 HB2 ARG 33 1HB ARG 33 4.546 7.330 2.961
221 HB3 ARG 33 2HB ARG 33 5.403 8.021 1.590
222 HG2 ARG 33 1HG ARG 33 3.747 6.544 0.200
223 HG3 ARG 33 2HG ARG 33 2.782 6.616 1.676
224 HD2 ARG 33 1HD ARG 33 2.099 8.405 0.237
225 HD3 ARG 33 2HD ARG 33 2.971 9.093 1.606
226 HE ARG 33 HE ARG 33 4.566 8.595 -0.756
227 HH11 ARG 33 1HH1 ARG 33 2.643 10.875 1.038
228 HH12 ARG 33 2HH1 ARG 33 3.359 12.265 0.290
229 HH21 ARG 33 1HH2 ARG 33 5.516 10.416 -1.748
230 HH22 ARG 33 2HH2 ARG 33 4.992 12.003 -1.295
231 H THR 34 H THR 34 4.887 5.076 4.083
232 HA THR 34 HA THR 34 6.633 6.039 5.918
233 HB THR 34 HB THR 34 4.616 4.473 6.273
234 HG1 THR 34 HG1 THR 34 6.989 4.216 7.835
235 HG21 THR 34 3HG2 THR 34 6.640 2.303 6.559
236 HG22 THR 34 1HG2 THR 34 5.971 2.628 4.961
237 HG23 THR 34 2HG2 THR 34 4.900 2.193 6.293
238 H HIS 35 H HIS 35 7.309 3.674 3.499
239 HA HIS 35 HA HIS 35 9.696 2.664 4.765
240 HB2 HIS 35 1HB HIS 35 8.469 2.283 2.038
241 HB3 HIS 35 2HB HIS 35 10.042 1.611 2.458
242 HD1 HIS 35 HD1 HIS 35 9.970 -0.041 4.643
243 HD2 HIS 35 HD2 HIS 35 6.380 0.680 2.679
244 HE1 HIS 35 HE1 HIS 35 8.423 -1.886 5.370
245 H THR 36 H THR 36 9.906 5.365 4.735
246 HA THR 36 HA THR 36 12.372 5.796 3.448
247 HB THR 36 HB THR 36 10.796 5.934 1.462
248 HG1 THR 36 HG1 THR 36 11.856 7.921 0.734
249 HG21 THR 36 3HG2 THR 36 9.126 7.432 1.366
250 HG22 THR 36 1HG2 THR 36 10.109 8.708 2.084
251 HG23 THR 36 2HG2 THR 36 9.298 7.531 3.118
252 H GLY 37 H GLY 37 13.407 7.562 4.281
253 HA2 GLY 37 1HA GLY 37 12.803 9.962 5.084
254 HA3 GLY 37 2HA GLY 37 11.903 9.070 6.302
255 H GLU 38 H GLU 38 13.594 7.030 6.941
256 HA GLU 38 HA GLU 38 15.580 8.428 8.493
257 HB2 GLU 38 1HB GLU 38 15.955 6.322 9.597
258 HB3 GLU 38 2HB GLU 38 14.223 6.558 9.417
259 HG2 GLU 38 1HG GLU 38 14.373 5.118 7.347
260 HG3 GLU 38 2HG GLU 38 16.012 4.720 7.860
261 H LYS 39 H LYS 39 17.778 7.151 8.711
262 HA LYS 39 HA LYS 39 19.416 7.720 6.657
263 HB2 LYS 39 1HB LYS 39 19.572 5.391 8.567
264 HB3 LYS 39 2HB LYS 39 20.871 5.781 7.447
265 HG2 LYS 39 1HG LYS 39 19.842 7.928 9.227
266 HG3 LYS 39 2HG LYS 39 20.875 6.674 9.916
267 HD2 LYS 39 1HD LYS 39 22.492 8.143 9.276
268 HD3 LYS 39 2HD LYS 39 22.333 7.246 7.764
269 HE2 LYS 39 1HE LYS 39 20.993 8.935 6.794
270 HE3 LYS 39 2HE LYS 39 20.745 9.733 8.347
271 HZ1 LYS 39 3HZ LYS 39 23.066 9.810 6.567
272 HZ2 LYS 39 1HZ LYS 39 23.347 9.911 8.232
273 HZ3 LYS 39 2HZ LYS 39 22.357 11.051 7.472
274 HA PRO 40 HA PRO 40 18.176 5.147 3.274
275 HB2 PRO 40 1HB PRO 40 20.291 5.676 1.657
276 HB3 PRO 40 2HB PRO 40 18.973 6.824 1.920
277 HG2 PRO 40 1HG PRO 40 21.685 6.733 3.183
278 HG3 PRO 40 2HG PRO 40 20.784 8.131 2.569
279 HD2 PRO 40 1HD PRO 40 20.905 7.519 5.203
280 HD3 PRO 40 2HD PRO 40 19.484 8.284 4.466
281 H SER 41 H SER 41 18.876 3.254 2.144
282 HA SER 41 HA SER 41 21.083 1.835 3.488
283 HB2 SER 41 1HB SER 41 19.842 -0.255 3.081
284 HB3 SER 41 2HB SER 41 18.897 0.871 4.054
285 HG SER 41 HG SER 41 17.625 -0.024 2.406
286 H GLY 42 H GLY 42 21.793 -0.131 2.065
287 HA2 GLY 42 1HA GLY 42 21.927 0.709 -0.758
288 HA3 GLY 42 2HA GLY 42 23.396 0.316 0.121
289 HA PRO 43 HA PRO 43 20.770 -3.723 -0.630
290 HB2 PRO 43 1HB PRO 43 19.251 -3.606 -2.877
291 HB3 PRO 43 2HB PRO 43 18.635 -3.173 -1.278
292 HG2 PRO 43 1HG PRO 43 19.620 -1.394 -3.475
293 HG3 PRO 43 2HG PRO 43 18.202 -1.199 -2.428
294 HD2 PRO 43 1HD PRO 43 20.522 0.131 -2.001
295 HD3 PRO 43 2HD PRO 43 19.452 -0.371 -0.677
296 H SER 44 H SER 44 22.269 -5.082 -1.361
297 HA SER 44 HA SER 44 24.017 -4.448 -3.517
298 HB2 SER 44 1HB SER 44 23.605 -6.873 -1.789
299 HB3 SER 44 2HB SER 44 24.683 -6.940 -3.183
300 HG SER 44 HG SER 44 25.358 -6.150 -0.852
301 H SER 45 H SER 45 21.434 -6.864 -3.123
302 HA SER 45 HA SER 45 21.372 -7.152 -6.055
303 HB2 SER 45 1HB SER 45 21.930 -9.220 -4.759
304 HB3 SER 45 2HB SER 45 20.343 -9.119 -3.997
305 HG SER 45 HG SER 45 19.397 -9.674 -5.844
306 H GLY 46 H GLY 46 19.115 -7.876 -6.837
307 HA2 GLY 46 1HA GLY 46 17.035 -6.976 -7.331
308 HA3 GLY 46 2HA GLY 46 16.720 -7.481 -5.677