Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505654 | 2yti RC | 10188 | 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 11.952 -30.318 -7.969
2 HA2 GLY 1 1HA GLY 1 9.856 -28.736 -8.052
3 HA3 GLY 1 2HA GLY 1 10.218 -29.589 -6.558
4 H SER 2 H SER 2 8.790 -27.320 -6.368
5 HA SER 2 HA SER 2 10.658 -25.548 -4.988
6 HB2 SER 2 1HB SER 2 8.627 -24.565 -7.009
7 HB3 SER 2 2HB SER 2 9.605 -23.536 -5.963
8 HG SER 2 HG SER 2 10.558 -25.316 -7.960
9 H SER 3 H SER 3 9.512 -23.986 -3.566
10 HA SER 3 HA SER 3 6.923 -25.060 -2.656
11 HB2 SER 3 1HB SER 3 9.176 -24.021 -0.920
12 HB3 SER 3 2HB SER 3 7.605 -24.574 -0.341
13 HG SER 3 HG SER 3 8.155 -26.629 -1.360
14 H GLY 4 H GLY 4 5.374 -23.608 -2.947
15 HA2 GLY 4 1HA GLY 4 6.065 -20.763 -3.016
16 HA3 GLY 4 2HA GLY 4 4.567 -21.478 -3.593
17 H SER 5 H SER 5 5.898 -19.620 -1.213
18 HA SER 5 HA SER 5 4.461 -20.521 1.069
19 HB2 SER 5 1HB SER 5 5.869 -17.949 0.379
20 HB3 SER 5 2HB SER 5 4.977 -18.131 1.889
21 HG SER 5 HG SER 5 7.171 -19.691 0.992
22 H SER 6 H SER 6 2.561 -19.770 1.971
23 HA SER 6 HA SER 6 0.921 -17.999 0.283
24 HB2 SER 6 1HB SER 6 -0.081 -20.444 1.761
25 HB3 SER 6 2HB SER 6 -1.040 -19.368 0.745
26 HG SER 6 HG SER 6 -0.430 -21.198 -0.426
27 H GLY 7 H GLY 7 1.028 -16.173 1.495
28 HA2 GLY 7 1HA GLY 7 0.638 -16.325 4.382
29 HA3 GLY 7 2HA GLY 7 1.066 -14.890 3.463
30 H THR 8 H THR 8 -0.751 -14.448 5.295
31 HA THR 8 HA THR 8 -3.338 -14.488 3.882
32 HB THR 8 HB THR 8 -2.932 -14.255 6.868
33 HG1 THR 8 HG1 THR 8 -2.819 -16.361 6.872
34 HG21 THR 8 3HG2 THR 8 -5.234 -14.315 7.089
35 HG22 THR 8 1HG2 THR 8 -5.472 -15.058 5.508
36 HG23 THR 8 2HG2 THR 8 -5.046 -13.351 5.624
37 H GLY 9 H GLY 9 -3.445 -12.558 2.871
38 HA2 GLY 9 1HA GLY 9 -4.176 -10.239 4.080
39 HA3 GLY 9 2HA GLY 9 -2.421 -10.148 4.080
40 H GLU 10 H GLU 10 -4.893 -11.203 1.733
41 HA GLU 10 HA GLU 10 -3.478 -9.636 -0.311
42 HB2 GLU 10 1HB GLU 10 -3.694 -11.995 -0.846
43 HB3 GLU 10 2HB GLU 10 -5.431 -11.926 -0.585
44 HG2 GLU 10 1HG GLU 10 -5.495 -10.220 -2.462
45 HG3 GLU 10 2HG GLU 10 -3.836 -10.705 -2.811
46 H LYS 11 H LYS 11 -4.307 -7.666 -0.539
47 HA LYS 11 HA LYS 11 -7.190 -7.408 -0.959
48 HB2 LYS 11 1HB LYS 11 -5.575 -5.784 1.008
49 HB3 LYS 11 2HB LYS 11 -7.158 -5.292 0.422
50 HG2 LYS 11 1HG LYS 11 -6.665 -7.919 1.795
51 HG3 LYS 11 2HG LYS 11 -7.118 -6.445 2.654
52 HD2 LYS 11 1HD LYS 11 -9.057 -6.384 0.887
53 HD3 LYS 11 2HD LYS 11 -8.714 -8.111 0.759
54 HE2 LYS 11 1HE LYS 11 -10.370 -7.992 2.396
55 HE3 LYS 11 2HE LYS 11 -8.876 -8.127 3.321
56 HZ1 LYS 11 3HZ LYS 11 -10.393 -6.421 4.190
57 HZ2 LYS 11 1HZ LYS 11 -10.271 -5.573 2.731
58 HZ3 LYS 11 2HZ LYS 11 -8.907 -5.770 3.711
59 HA PRO 12 HA PRO 12 -6.028 -4.786 -4.284
60 HB2 PRO 12 1HB PRO 12 -8.167 -3.118 -4.401
61 HB3 PRO 12 2HB PRO 12 -8.238 -4.808 -4.913
62 HG2 PRO 12 1HG PRO 12 -9.120 -3.572 -2.333
63 HG3 PRO 12 2HG PRO 12 -9.937 -4.794 -3.325
64 HD2 PRO 12 1HD PRO 12 -8.529 -5.427 -1.101
65 HD3 PRO 12 2HD PRO 12 -8.639 -6.512 -2.502
66 H TYR 13 H TYR 13 -6.058 -3.744 -1.137
67 HA TYR 13 HA TYR 13 -5.221 -1.017 -1.872
68 HB2 TYR 13 1HB TYR 13 -6.216 -2.026 0.801
69 HB3 TYR 13 2HB TYR 13 -5.763 -0.366 0.429
70 HD1 TYR 13 HD2 TYR 13 -8.201 -3.037 -0.399
71 HD2 TYR 13 HD1 TYR 13 -7.318 1.123 -0.527
72 HE1 TYR 13 HE2 TYR 13 -10.509 -2.575 -1.111
73 HE2 TYR 13 HE1 TYR 13 -9.624 1.597 -1.239
74 HH TYR 13 HH TYR 13 -11.494 0.508 -2.265
75 H LYS 14 H LYS 14 -3.568 -3.423 -1.988
76 HA LYS 14 HA LYS 14 -1.738 -3.178 0.255
77 HB2 LYS 14 1HB LYS 14 -1.999 -5.408 -0.421
78 HB3 LYS 14 2HB LYS 14 -1.920 -4.997 -2.129
79 HG2 LYS 14 1HG LYS 14 0.442 -4.574 -1.972
80 HG3 LYS 14 2HG LYS 14 0.403 -4.808 -0.223
81 HD2 LYS 14 1HD LYS 14 -0.187 -7.132 -0.504
82 HD3 LYS 14 2HD LYS 14 -0.316 -6.922 -2.252
83 HE2 LYS 14 1HE LYS 14 2.146 -6.142 -2.095
84 HE3 LYS 14 2HE LYS 14 2.130 -6.938 -0.522
85 HZ1 LYS 14 3HZ LYS 14 1.472 -8.993 -1.608
86 HZ2 LYS 14 1HZ LYS 14 2.925 -8.417 -2.257
87 HZ3 LYS 14 2HZ LYS 14 1.481 -8.229 -3.117
88 H CYS 15 H CYS 15 0.050 -1.977 0.269
89 HA CYS 15 HA CYS 15 0.633 -0.167 -1.819
90 HB2 CYS 15 1HB CYS 15 1.208 0.447 0.421
91 HB3 CYS 15 2HB CYS 15 2.192 -0.998 0.630
92 H ASN 16 H ASN 16 2.723 0.018 -2.944
93 HA ASN 16 HA ASN 16 3.677 -2.634 -3.794
94 HB2 ASN 16 1HB ASN 16 3.270 -0.052 -5.250
95 HB3 ASN 16 2HB ASN 16 4.509 -1.166 -5.820
96 HD21 ASN 16 1HD2 ASN 16 2.292 -0.449 -7.330
97 HD22 ASN 16 2HD2 ASN 16 1.292 -1.842 -7.546
98 H GLU 17 H GLU 17 4.657 0.578 -2.775
99 HA GLU 17 HA GLU 17 7.377 0.491 -3.267
100 HB2 GLU 17 1HB GLU 17 5.712 1.822 -1.165
101 HB3 GLU 17 2HB GLU 17 7.465 1.896 -1.052
102 HG2 GLU 17 1HG GLU 17 6.125 2.647 -3.605
103 HG3 GLU 17 2HG GLU 17 6.140 3.782 -2.256
104 H CYS 18 H CYS 18 5.760 -0.425 -0.220
105 HA CYS 18 HA CYS 18 8.135 -2.006 0.481
106 HB2 CYS 18 1HB CYS 18 7.282 -1.944 2.786
107 HB3 CYS 18 2HB CYS 18 7.484 -0.322 2.133
108 H GLY 19 H GLY 19 4.582 -2.172 0.455
109 HA2 GLY 19 1HA GLY 19 3.621 -4.202 -0.572
110 HA3 GLY 19 2HA GLY 19 4.838 -5.113 0.311
111 H LYS 20 H LYS 20 3.036 -2.419 1.657
112 HA LYS 20 HA LYS 20 2.100 -4.112 3.805
113 HB2 LYS 20 1HB LYS 20 2.929 -1.595 3.850
114 HB3 LYS 20 2HB LYS 20 1.232 -1.270 3.521
115 HG2 LYS 20 1HG LYS 20 0.538 -2.102 5.557
116 HG3 LYS 20 2HG LYS 20 1.989 -3.087 5.766
117 HD2 LYS 20 1HD LYS 20 3.297 -1.229 6.358
118 HD3 LYS 20 2HD LYS 20 2.110 -0.085 5.727
119 HE2 LYS 20 1HE LYS 20 0.666 -0.408 7.536
120 HE3 LYS 20 2HE LYS 20 1.441 -1.921 8.002
121 HZ1 LYS 20 3HZ LYS 20 1.902 0.436 9.183
122 HZ2 LYS 20 1HZ LYS 20 3.167 0.399 8.060
123 HZ3 LYS 20 2HZ LYS 20 2.997 -0.853 9.184
124 H VAL 21 H VAL 21 -0.206 -3.904 4.542
125 HA VAL 21 HA VAL 21 -2.047 -3.782 2.244
126 HB VAL 21 HB VAL 21 -2.165 -5.780 4.508
127 HG11 VAL 21 1HG1 VAL 21 -4.091 -6.677 3.512
128 HG12 VAL 21 2HG1 VAL 21 -4.347 -4.931 3.491
129 HG13 VAL 21 3HG1 VAL 21 -3.848 -5.768 2.021
130 HG21 VAL 21 3HG2 VAL 21 -0.356 -6.264 2.935
131 HG22 VAL 21 1HG2 VAL 21 -1.652 -7.453 2.805
132 HG23 VAL 21 2HG2 VAL 21 -1.497 -6.182 1.592
133 H PHE 22 H PHE 22 -4.081 -2.943 2.616
134 HA PHE 22 HA PHE 22 -4.715 -2.029 5.325
135 HB2 PHE 22 1HB PHE 22 -4.781 -0.240 2.886
136 HB3 PHE 22 2HB PHE 22 -5.316 0.206 4.503
137 HD1 PHE 22 HD1 PHE 22 -3.709 0.605 6.281
138 HD2 PHE 22 HD2 PHE 22 -2.446 -0.369 2.335
139 HE1 PHE 22 HE1 PHE 22 -1.434 1.369 6.824
140 HE2 PHE 22 HE2 PHE 22 -0.169 0.391 2.872
141 HZ PHE 22 HZ PHE 22 0.340 1.261 5.119
142 H THR 23 H THR 23 -7.008 -0.888 5.184
143 HA THR 23 HA THR 23 -8.735 -2.731 3.668
144 HB THR 23 HB THR 23 -9.472 -1.205 6.171
145 HG1 THR 23 HG1 THR 23 -9.296 -3.400 7.097
146 HG21 THR 23 3HG2 THR 23 -10.823 -3.421 4.631
147 HG22 THR 23 1HG2 THR 23 -11.411 -1.777 4.878
148 HG23 THR 23 2HG2 THR 23 -11.317 -2.894 6.239
149 H GLN 24 H GLN 24 -8.353 0.627 4.717
150 HA GLN 24 HA GLN 24 -10.376 1.428 2.738
151 HB2 GLN 24 1HB GLN 24 -10.516 2.091 5.248
152 HB3 GLN 24 2HB GLN 24 -9.264 3.257 4.842
153 HG2 GLN 24 1HG GLN 24 -11.561 4.178 4.788
154 HG3 GLN 24 2HG GLN 24 -10.685 4.344 3.267
155 HE21 GLN 24 1HE2 GLN 24 -11.821 3.892 1.535
156 HE22 GLN 24 2HE2 GLN 24 -13.158 2.801 1.442
157 H ASN 25 H ASN 25 -9.924 3.006 1.212
158 HA ASN 25 HA ASN 25 -7.425 3.043 0.050
159 HB2 ASN 25 1HB ASN 25 -9.379 3.753 -1.180
160 HB3 ASN 25 2HB ASN 25 -9.619 5.118 -0.095
161 HD21 ASN 25 1HD2 ASN 25 -8.274 4.088 -2.973
162 HD22 ASN 25 2HD2 ASN 25 -7.276 5.460 -3.302
163 H SER 26 H SER 26 -8.861 5.693 1.962
164 HA SER 26 HA SER 26 -6.774 7.436 2.055
165 HB2 SER 26 1HB SER 26 -7.605 8.089 4.342
166 HB3 SER 26 2HB SER 26 -8.860 8.006 3.105
167 HG SER 26 HG SER 26 -8.297 6.141 5.158
168 H HIS 27 H HIS 27 -7.270 4.714 4.295
169 HA HIS 27 HA HIS 27 -5.029 5.048 5.882
170 HB2 HIS 27 1HB HIS 27 -6.209 2.409 4.993
171 HB3 HIS 27 2HB HIS 27 -5.219 2.679 6.424
172 HD1 HIS 27 HD1 HIS 27 -8.024 1.475 6.692
173 HD2 HIS 27 HD2 HIS 27 -7.206 5.537 6.990
174 HE1 HIS 27 HE1 HIS 27 -9.922 2.447 8.026
175 H LEU 28 H LEU 28 -5.309 3.602 2.694
176 HA LEU 28 HA LEU 28 -2.602 2.625 2.671
177 HB2 LEU 28 1HB LEU 28 -3.950 1.342 1.325
178 HB3 LEU 28 2HB LEU 28 -4.860 2.730 0.733
179 HG LEU 28 HG LEU 28 -2.897 3.359 -0.653
180 HD11 LEU 28 1HD1 LEU 28 -1.407 1.133 -0.950
181 HD12 LEU 28 2HD1 LEU 28 -1.744 1.061 0.779
182 HD13 LEU 28 3HD1 LEU 28 -0.962 2.485 0.092
183 HD21 LEU 28 3HD2 LEU 28 -3.519 1.997 -2.382
184 HD22 LEU 28 1HD2 LEU 28 -4.868 1.728 -1.278
185 HD23 LEU 28 2HD2 LEU 28 -3.560 0.549 -1.375
186 H ALA 29 H ALA 29 -4.288 5.045 0.658
187 HA ALA 29 HA ALA 29 -2.188 6.167 -0.647
188 HB1 ALA 29 3HB ALA 29 -4.053 8.169 0.420
189 HB2 ALA 29 1HB ALA 29 -3.622 7.789 -1.247
190 HB3 ALA 29 2HB ALA 29 -4.808 6.800 -0.395
191 H ARG 30 H ARG 30 -3.360 7.210 2.556
192 HA ARG 30 HA ARG 30 -1.466 9.180 3.041
193 HB2 ARG 30 1HB ARG 30 -2.090 9.062 5.324
194 HB3 ARG 30 2HB ARG 30 -3.530 8.638 4.408
195 HG2 ARG 30 1HG ARG 30 -3.215 6.307 4.883
196 HG3 ARG 30 2HG ARG 30 -1.662 6.634 5.653
197 HD2 ARG 30 1HD ARG 30 -4.275 7.781 6.616
198 HD3 ARG 30 2HD ARG 30 -3.593 6.273 7.223
199 HE ARG 30 HE ARG 30 -1.817 8.542 7.370
200 HH11 ARG 30 1HH1 ARG 30 -4.275 6.679 8.985
201 HH12 ARG 30 2HH1 ARG 30 -3.809 7.195 10.572
202 HH21 ARG 30 1HH2 ARG 30 -1.194 9.230 9.454
203 HH22 ARG 30 2HH2 ARG 30 -2.056 8.647 10.837
204 H HIS 31 H HIS 31 -1.299 5.699 3.632
205 HA HIS 31 HA HIS 31 1.132 5.664 5.033
206 HB2 HIS 31 1HB HIS 31 0.043 3.642 5.182
207 HB3 HIS 31 2HB HIS 31 -0.450 3.660 3.491
208 HD1 HIS 31 HD1 HIS 31 2.526 2.883 5.671
209 HD2 HIS 31 HD2 HIS 31 1.237 2.339 1.758
210 HE1 HIS 31 HE1 HIS 31 4.189 1.312 4.627
211 H ARG 32 H ARG 32 0.467 5.237 1.564
212 HA ARG 32 HA ARG 32 3.010 4.756 0.640
213 HB2 ARG 32 1HB ARG 32 0.779 6.353 -0.620
214 HB3 ARG 32 2HB ARG 32 2.252 5.916 -1.474
215 HG2 ARG 32 1HG ARG 32 1.748 3.603 -1.343
216 HG3 ARG 32 2HG ARG 32 0.427 3.892 -0.209
217 HD2 ARG 32 1HD ARG 32 -0.409 3.447 -2.463
218 HD3 ARG 32 2HD ARG 32 -0.814 5.080 -1.934
219 HE ARG 32 HE ARG 32 1.489 5.442 -3.293
220 HH11 ARG 32 1HH1 ARG 32 -1.496 3.824 -4.065
221 HH12 ARG 32 2HH1 ARG 32 -1.377 4.136 -5.765
222 HH21 ARG 32 1HH2 ARG 32 1.657 5.858 -5.530
223 HH22 ARG 32 2HH2 ARG 32 0.417 5.292 -6.597
224 H GLY 33 H GLY 33 1.749 7.662 1.994
225 HA2 GLY 33 1HA GLY 33 3.346 9.622 0.848
226 HA3 GLY 33 2HA GLY 33 2.747 9.666 2.500
227 H ILE 34 H ILE 34 4.131 7.342 3.424
228 HA ILE 34 HA ILE 34 6.495 8.452 4.347
229 HB ILE 34 HB ILE 34 7.098 6.302 5.177
230 HG12 ILE 34 1HG1 ILE 34 5.114 5.156 3.200
231 HG13 ILE 34 2HG1 ILE 34 6.866 5.037 3.088
232 HG21 ILE 34 1HG2 ILE 34 5.434 6.524 6.628
233 HG22 ILE 34 2HG2 ILE 34 4.435 7.323 5.415
234 HG23 ILE 34 3HG2 ILE 34 4.412 5.566 5.557
235 HD11 ILE 34 3HD1 ILE 34 5.014 3.363 4.484
236 HD12 ILE 34 1HD1 ILE 34 6.738 3.131 4.197
237 HD13 ILE 34 2HD1 ILE 34 6.192 4.035 5.610
238 H HIS 35 H HIS 35 5.876 6.616 1.430
239 HA HIS 35 HA HIS 35 8.681 6.343 0.785
240 HB2 HIS 35 1HB HIS 35 6.294 5.817 -0.993
241 HB3 HIS 35 2HB HIS 35 7.936 5.222 -1.216
242 HD1 HIS 35 HD1 HIS 35 8.719 3.763 1.117
243 HD2 HIS 35 HD2 HIS 35 4.718 3.877 0.002
244 HE1 HIS 35 HE1 HIS 35 7.654 1.776 2.231
245 H THR 36 H THR 36 5.920 8.240 -0.369
246 HA THR 36 HA THR 36 7.625 9.724 -2.203
247 HB THR 36 HB THR 36 5.555 10.885 -2.875
248 HG1 THR 36 HG1 THR 36 3.594 9.679 -1.901
249 HG21 THR 36 3HG2 THR 36 4.297 8.754 -3.619
250 HG22 THR 36 1HG2 THR 36 5.620 7.886 -2.843
251 HG23 THR 36 2HG2 THR 36 5.953 8.990 -4.177
252 H GLY 37 H GLY 37 8.961 11.009 -0.987
253 HA2 GLY 37 1HA GLY 37 7.733 13.349 0.194
254 HA3 GLY 37 2HA GLY 37 8.587 12.326 1.339
255 H GLU 38 H GLU 38 10.847 12.125 1.196
256 HA GLU 38 HA GLU 38 12.242 14.439 0.555
257 HB2 GLU 38 1HB GLU 38 14.276 13.138 0.886
258 HB3 GLU 38 2HB GLU 38 13.080 12.732 2.109
259 HG2 GLU 38 1HG GLU 38 13.343 11.088 -0.375
260 HG3 GLU 38 2HG GLU 38 14.424 10.842 0.996
261 H LYS 39 H LYS 39 13.813 14.878 -1.081
262 HA LYS 39 HA LYS 39 13.162 13.590 -3.645
263 HB2 LYS 39 1HB LYS 39 13.998 15.674 -4.691
264 HB3 LYS 39 2HB LYS 39 12.627 15.950 -3.626
265 HG2 LYS 39 1HG LYS 39 13.972 16.923 -1.967
266 HG3 LYS 39 2HG LYS 39 15.458 16.320 -2.704
267 HD2 LYS 39 1HD LYS 39 15.382 17.887 -4.427
268 HD3 LYS 39 2HD LYS 39 13.662 18.205 -4.190
269 HE2 LYS 39 1HE LYS 39 14.075 19.430 -2.202
270 HE3 LYS 39 2HE LYS 39 15.750 18.885 -2.132
271 HZ1 LYS 39 3HZ LYS 39 15.370 20.152 -4.587
272 HZ2 LYS 39 1HZ LYS 39 16.323 20.665 -3.287
273 HZ3 LYS 39 2HZ LYS 39 14.710 21.161 -3.400
274 HA PRO 40 HA PRO 40 17.240 11.951 -3.886
275 HB2 PRO 40 1HB PRO 40 17.441 11.678 -6.579
276 HB3 PRO 40 2HB PRO 40 16.443 10.617 -5.578
277 HG2 PRO 40 1HG PRO 40 15.629 12.975 -7.232
278 HG3 PRO 40 2HG PRO 40 14.836 11.398 -7.066
279 HD2 PRO 40 1HD PRO 40 13.983 13.603 -5.746
280 HD3 PRO 40 2HD PRO 40 13.838 11.969 -5.068
281 H SER 41 H SER 41 18.928 13.227 -3.437
282 HA SER 41 HA SER 41 19.415 15.791 -4.285
283 HB2 SER 41 1HB SER 41 21.751 15.442 -3.621
284 HB3 SER 41 2HB SER 41 20.656 14.691 -2.460
285 HG SER 41 HG SER 41 21.106 12.695 -3.368
286 H GLY 42 H GLY 42 20.994 16.676 -5.777
287 HA2 GLY 42 1HA GLY 42 22.157 16.770 -7.778
288 HA3 GLY 42 2HA GLY 42 21.999 15.025 -7.912
289 HA PRO 43 HA PRO 43 19.023 17.423 -10.768
290 HB2 PRO 43 1HB PRO 43 20.375 17.138 -13.105
291 HB3 PRO 43 2HB PRO 43 20.591 18.527 -12.033
292 HG2 PRO 43 1HG PRO 43 22.282 16.073 -12.317
293 HG3 PRO 43 2HG PRO 43 22.785 17.766 -12.157
294 HD2 PRO 43 1HD PRO 43 22.817 16.035 -10.076
295 HD3 PRO 43 2HD PRO 43 22.494 17.768 -9.871
296 H SER 44 H SER 44 20.245 14.418 -10.210
297 HA SER 44 HA SER 44 19.791 12.700 -12.199
298 HB2 SER 44 1HB SER 44 20.065 12.323 -9.588
299 HB3 SER 44 2HB SER 44 18.323 12.065 -9.675
300 HG SER 44 HG SER 44 18.753 10.479 -11.302
301 H SER 45 H SER 45 17.219 14.311 -10.374
302 HA SER 45 HA SER 45 15.320 13.462 -12.463
303 HB2 SER 45 1HB SER 45 15.033 13.620 -9.492
304 HB3 SER 45 2HB SER 45 13.619 13.950 -10.493
305 HG SER 45 HG SER 45 13.477 11.902 -10.932
306 H GLY 46 H GLY 46 15.371 15.896 -9.853
307 HA2 GLY 46 1HA GLY 46 14.928 18.148 -9.879
308 HA3 GLY 46 2HA GLY 46 15.571 18.145 -11.515
Start of MODEL 2
1 H1 GLY 1 H GLY 1 10.970 -28.890 7.205
2 HA2 GLY 1 1HA GLY 1 10.584 -29.465 4.706
3 HA3 GLY 1 2HA GLY 1 8.956 -29.810 5.271
4 H SER 2 H SER 2 11.372 -27.205 5.600
5 HA SER 2 HA SER 2 9.371 -25.189 5.882
6 HB2 SER 2 1HB SER 2 11.698 -25.042 6.822
7 HB3 SER 2 2HB SER 2 12.288 -24.801 5.177
8 HG SER 2 HG SER 2 10.213 -23.157 6.039
9 H SER 3 H SER 3 11.514 -26.195 3.242
10 HA SER 3 HA SER 3 11.067 -24.303 1.348
11 HB2 SER 3 1HB SER 3 12.467 -26.396 1.112
12 HB3 SER 3 2HB SER 3 10.981 -27.259 0.717
13 HG SER 3 HG SER 3 10.780 -26.085 -1.125
14 H GLY 4 H GLY 4 9.647 -24.328 -0.588
15 HA2 GLY 4 1HA GLY 4 7.583 -24.432 -1.613
16 HA3 GLY 4 2HA GLY 4 7.136 -25.697 -0.478
17 H SER 5 H SER 5 7.615 -22.182 -0.689
18 HA SER 5 HA SER 5 5.438 -21.873 1.275
19 HB2 SER 5 1HB SER 5 7.866 -20.130 0.809
20 HB3 SER 5 2HB SER 5 6.503 -19.660 1.825
21 HG SER 5 HG SER 5 7.125 -21.036 3.320
22 H SER 6 H SER 6 4.834 -22.201 -1.396
23 HA SER 6 HA SER 6 4.513 -19.622 -2.651
24 HB2 SER 6 1HB SER 6 3.513 -20.822 -4.480
25 HB3 SER 6 2HB SER 6 4.906 -21.753 -3.930
26 HG SER 6 HG SER 6 3.062 -22.748 -2.523
27 H GLY 7 H GLY 7 2.270 -19.058 -3.525
28 HA2 GLY 7 1HA GLY 7 -0.086 -18.996 -3.204
29 HA3 GLY 7 2HA GLY 7 0.137 -19.746 -1.631
30 H THR 8 H THR 8 0.093 -16.775 -3.415
31 HA THR 8 HA THR 8 0.130 -15.303 -0.867
32 HB THR 8 HB THR 8 1.284 -13.427 -1.973
33 HG1 THR 8 HG1 THR 8 0.663 -14.036 -4.149
34 HG21 THR 8 3HG2 THR 8 3.432 -15.044 -2.544
35 HG22 THR 8 1HG2 THR 8 2.466 -16.049 -1.464
36 HG23 THR 8 2HG2 THR 8 2.995 -14.449 -0.943
37 H GLY 9 H GLY 9 -1.266 -13.557 -0.707
38 HA2 GLY 9 1HA GLY 9 -3.348 -13.480 -2.779
39 HA3 GLY 9 2HA GLY 9 -3.538 -12.949 -1.115
40 H GLU 10 H GLU 10 -4.251 -11.477 -3.469
41 HA GLU 10 HA GLU 10 -2.376 -9.214 -3.243
42 HB2 GLU 10 1HB GLU 10 -2.691 -10.480 -5.518
43 HB3 GLU 10 2HB GLU 10 -4.181 -9.552 -5.608
44 HG2 GLU 10 1HG GLU 10 -2.645 -7.520 -5.127
45 HG3 GLU 10 2HG GLU 10 -1.355 -8.597 -5.659
46 H LYS 11 H LYS 11 -3.252 -7.746 -1.940
47 HA LYS 11 HA LYS 11 -6.132 -7.420 -1.782
48 HB2 LYS 11 1HB LYS 11 -3.786 -6.495 -0.199
49 HB3 LYS 11 2HB LYS 11 -5.246 -5.516 -0.137
50 HG2 LYS 11 1HG LYS 11 -5.601 -6.908 1.634
51 HG3 LYS 11 2HG LYS 11 -6.394 -7.824 0.350
52 HD2 LYS 11 1HD LYS 11 -3.500 -8.307 0.857
53 HD3 LYS 11 2HD LYS 11 -4.673 -8.963 2.002
54 HE2 LYS 11 1HE LYS 11 -5.135 -9.383 -0.909
55 HE3 LYS 11 2HE LYS 11 -3.884 -10.336 -0.111
56 HZ1 LYS 11 3HZ LYS 11 -6.024 -10.492 1.573
57 HZ2 LYS 11 1HZ LYS 11 -5.523 -11.689 0.488
58 HZ3 LYS 11 2HZ LYS 11 -6.726 -10.589 0.037
59 HA PRO 12 HA PRO 12 -6.389 -4.038 -4.587
60 HB2 PRO 12 1HB PRO 12 -8.648 -2.863 -3.644
61 HB3 PRO 12 2HB PRO 12 -8.661 -4.378 -4.555
62 HG2 PRO 12 1HG PRO 12 -8.817 -3.945 -1.597
63 HG3 PRO 12 2HG PRO 12 -9.745 -5.062 -2.615
64 HD2 PRO 12 1HD PRO 12 -7.625 -5.861 -1.131
65 HD3 PRO 12 2HD PRO 12 -8.040 -6.612 -2.685
66 H TYR 13 H TYR 13 -5.789 -3.691 -1.276
67 HA TYR 13 HA TYR 13 -5.180 -0.833 -1.647
68 HB2 TYR 13 1HB TYR 13 -6.087 -2.133 0.929
69 HB3 TYR 13 2HB TYR 13 -5.745 -0.424 0.682
70 HD1 TYR 13 HD1 TYR 13 -7.289 0.980 -0.610
71 HD2 TYR 13 HD2 TYR 13 -8.161 -3.107 0.190
72 HE1 TYR 13 HE1 TYR 13 -9.637 1.365 -1.231
73 HE2 TYR 13 HE2 TYR 13 -10.511 -2.733 -0.430
74 HH TYR 13 HH TYR 13 -11.823 -1.147 -1.805
75 H LYS 14 H LYS 14 -3.562 -3.333 -1.935
76 HA LYS 14 HA LYS 14 -1.669 -3.172 0.262
77 HB2 LYS 14 1HB LYS 14 -2.030 -5.379 -0.492
78 HB3 LYS 14 2HB LYS 14 -1.896 -4.912 -2.183
79 HG2 LYS 14 1HG LYS 14 0.452 -4.644 -2.015
80 HG3 LYS 14 2HG LYS 14 0.406 -4.766 -0.255
81 HD2 LYS 14 1HD LYS 14 -0.695 -7.113 -0.826
82 HD3 LYS 14 2HD LYS 14 0.218 -6.896 -2.321
83 HE2 LYS 14 1HE LYS 14 1.784 -7.967 -1.042
84 HE3 LYS 14 2HE LYS 14 2.161 -6.290 -0.653
85 HZ1 LYS 14 3HZ LYS 14 2.007 -7.078 1.438
86 HZ2 LYS 14 1HZ LYS 14 0.992 -8.364 1.016
87 HZ3 LYS 14 2HZ LYS 14 0.352 -6.811 1.210
88 H CYS 15 H CYS 15 0.166 -2.036 0.251
89 HA CYS 15 HA CYS 15 0.721 -0.198 -1.841
90 HB2 CYS 15 1HB CYS 15 1.340 0.520 0.311
91 HB3 CYS 15 2HB CYS 15 2.163 -0.994 0.676
92 H ASN 16 H ASN 16 2.808 -0.027 -2.970
93 HA ASN 16 HA ASN 16 3.748 -2.686 -3.809
94 HB2 ASN 16 1HB ASN 16 4.598 -1.262 -5.839
95 HB3 ASN 16 2HB ASN 16 2.901 -1.722 -5.740
96 HD21 ASN 16 1HD2 ASN 16 4.945 0.762 -6.348
97 HD22 ASN 16 2HD2 ASN 16 3.893 2.094 -6.025
98 H GLU 17 H GLU 17 4.761 0.522 -2.800
99 HA GLU 17 HA GLU 17 7.482 0.396 -3.269
100 HB2 GLU 17 1HB GLU 17 5.790 1.785 -1.242
101 HB3 GLU 17 2HB GLU 17 7.533 1.785 -1.011
102 HG2 GLU 17 1HG GLU 17 6.571 3.769 -2.219
103 HG3 GLU 17 2HG GLU 17 7.907 2.945 -3.020
104 H CYS 18 H CYS 18 5.861 -0.439 -0.200
105 HA CYS 18 HA CYS 18 8.202 -2.059 0.517
106 HB2 CYS 18 1HB CYS 18 7.252 -2.005 2.818
107 HB3 CYS 18 2HB CYS 18 7.619 -0.405 2.181
108 H GLY 19 H GLY 19 4.645 -2.193 0.506
109 HA2 GLY 19 1HA GLY 19 3.671 -4.220 -0.528
110 HA3 GLY 19 2HA GLY 19 4.875 -5.136 0.366
111 H LYS 20 H LYS 20 3.089 -2.418 1.684
112 HA LYS 20 HA LYS 20 2.127 -4.091 3.838
113 HB2 LYS 20 1HB LYS 20 2.986 -1.588 3.882
114 HB3 LYS 20 2HB LYS 20 1.299 -1.238 3.531
115 HG2 LYS 20 1HG LYS 20 0.567 -2.046 5.563
116 HG3 LYS 20 2HG LYS 20 1.997 -3.055 5.793
117 HD2 LYS 20 1HD LYS 20 3.354 -1.128 6.254
118 HD3 LYS 20 2HD LYS 20 2.031 -0.039 5.831
119 HE2 LYS 20 1HE LYS 20 0.790 -1.407 7.728
120 HE3 LYS 20 2HE LYS 20 2.443 -1.683 8.275
121 HZ1 LYS 20 3HZ LYS 20 0.866 0.740 8.318
122 HZ2 LYS 20 1HZ LYS 20 2.463 0.952 7.800
123 HZ3 LYS 20 2HZ LYS 20 2.149 0.264 9.313
124 H VAL 21 H VAL 21 -0.205 -3.710 4.578
125 HA VAL 21 HA VAL 21 -2.012 -3.682 2.251
126 HB VAL 21 HB VAL 21 -2.104 -5.572 4.604
127 HG11 VAL 21 1HG1 VAL 21 -4.353 -4.911 4.110
128 HG12 VAL 21 2HG1 VAL 21 -4.089 -5.131 2.379
129 HG13 VAL 21 3HG1 VAL 21 -4.098 -6.528 3.456
130 HG21 VAL 21 3HG2 VAL 21 -1.716 -6.041 1.649
131 HG22 VAL 21 1HG2 VAL 21 -0.502 -6.234 2.914
132 HG23 VAL 21 2HG2 VAL 21 -1.900 -7.308 2.863
133 H PHE 22 H PHE 22 -4.229 -3.112 2.732
134 HA PHE 22 HA PHE 22 -4.789 -1.902 5.306
135 HB2 PHE 22 1HB PHE 22 -4.776 -0.252 2.769
136 HB3 PHE 22 2HB PHE 22 -5.384 0.289 4.330
137 HD1 PHE 22 HD1 PHE 22 -3.829 0.670 6.200
138 HD2 PHE 22 HD2 PHE 22 -2.449 -0.292 2.291
139 HE1 PHE 22 HE1 PHE 22 -1.580 1.464 6.803
140 HE2 PHE 22 HE2 PHE 22 -0.197 0.500 2.887
141 HZ PHE 22 HZ PHE 22 0.240 1.378 5.146
142 H THR 23 H THR 23 -7.054 -1.083 5.412
143 HA THR 23 HA THR 23 -8.788 -2.825 3.804
144 HB THR 23 HB THR 23 -8.955 -3.127 6.232
145 HG1 THR 23 HG1 THR 23 -11.247 -2.852 6.334
146 HG21 THR 23 3HG2 THR 23 -9.766 -1.397 7.688
147 HG22 THR 23 1HG2 THR 23 -9.983 -0.291 6.332
148 HG23 THR 23 2HG2 THR 23 -8.360 -0.773 6.826
149 H GLN 24 H GLN 24 -8.277 0.514 4.768
150 HA GLN 24 HA GLN 24 -10.434 1.331 2.937
151 HB2 GLN 24 1HB GLN 24 -10.517 1.971 5.435
152 HB3 GLN 24 2HB GLN 24 -9.229 3.104 5.045
153 HG2 GLN 24 1HG GLN 24 -11.284 4.287 4.976
154 HG3 GLN 24 2HG GLN 24 -10.718 4.097 3.317
155 HE21 GLN 24 1HE2 GLN 24 -12.629 2.214 5.647
156 HE22 GLN 24 2HE2 GLN 24 -13.907 1.834 4.548
157 H ASN 25 H ASN 25 -10.023 2.792 1.330
158 HA ASN 25 HA ASN 25 -7.570 2.885 0.113
159 HB2 ASN 25 1HB ASN 25 -8.418 4.908 -1.095
160 HB3 ASN 25 2HB ASN 25 -9.552 3.561 -1.077
161 HD21 ASN 25 1HD2 ASN 25 -11.355 3.662 0.338
162 HD22 ASN 25 2HD2 ASN 25 -11.963 5.185 0.880
163 H SER 26 H SER 26 -8.973 5.497 2.098
164 HA SER 26 HA SER 26 -6.974 7.321 2.101
165 HB2 SER 26 1HB SER 26 -8.483 6.449 4.577
166 HB3 SER 26 2HB SER 26 -7.689 8.005 4.336
167 HG SER 26 HG SER 26 -9.153 8.382 2.608
168 H HIS 27 H HIS 27 -7.190 4.844 4.660
169 HA HIS 27 HA HIS 27 -4.837 5.157 5.926
170 HB2 HIS 27 1HB HIS 27 -5.796 2.417 5.095
171 HB3 HIS 27 2HB HIS 27 -4.894 2.846 6.545
172 HD1 HIS 27 HD1 HIS 27 -7.596 1.342 6.687
173 HD2 HIS 27 HD2 HIS 27 -7.167 5.460 7.033
174 HE1 HIS 27 HE1 HIS 27 -9.625 2.126 7.949
175 H LEU 28 H LEU 28 -5.264 3.567 2.801
176 HA LEU 28 HA LEU 28 -2.513 2.816 2.554
177 HB2 LEU 28 1HB LEU 28 -3.924 1.460 1.327
178 HB3 LEU 28 2HB LEU 28 -4.893 2.815 0.753
179 HG LEU 28 HG LEU 28 -3.009 3.463 -0.732
180 HD11 LEU 28 1HD1 LEU 28 -1.027 2.644 -0.036
181 HD12 LEU 28 2HD1 LEU 28 -1.473 1.287 -1.070
182 HD13 LEU 28 3HD1 LEU 28 -1.747 1.197 0.670
183 HD21 LEU 28 3HD2 LEU 28 -3.609 1.992 -2.411
184 HD22 LEU 28 1HD2 LEU 28 -4.967 1.852 -1.294
185 HD23 LEU 28 2HD2 LEU 28 -3.710 0.615 -1.313
186 H ALA 29 H ALA 29 -4.455 5.061 0.573
187 HA ALA 29 HA ALA 29 -2.538 6.321 -0.844
188 HB1 ALA 29 3HB ALA 29 -5.038 7.384 0.407
189 HB2 ALA 29 1HB ALA 29 -3.974 8.450 -0.511
190 HB3 ALA 29 2HB ALA 29 -4.694 7.039 -1.288
191 H ARG 30 H ARG 30 -3.341 6.979 2.538
192 HA ARG 30 HA ARG 30 -1.493 9.139 2.806
193 HB2 ARG 30 1HB ARG 30 -2.035 9.107 5.134
194 HB3 ARG 30 2HB ARG 30 -3.519 8.787 4.246
195 HG2 ARG 30 1HG ARG 30 -3.506 6.513 4.829
196 HG3 ARG 30 2HG ARG 30 -1.827 6.578 5.367
197 HD2 ARG 30 1HD ARG 30 -4.126 8.026 6.677
198 HD3 ARG 30 2HD ARG 30 -3.443 6.500 7.236
199 HE ARG 30 HE ARG 30 -1.537 8.652 6.990
200 HH11 ARG 30 1HH1 ARG 30 -3.806 7.017 9.064
201 HH12 ARG 30 2HH1 ARG 30 -3.059 7.561 10.529
202 HH21 ARG 30 1HH2 ARG 30 -0.545 9.375 8.913
203 HH22 ARG 30 2HH2 ARG 30 -1.204 8.903 10.442
204 H HIS 31 H HIS 31 -1.384 5.676 3.416
205 HA HIS 31 HA HIS 31 1.007 5.564 4.866
206 HB2 HIS 31 1HB HIS 31 -0.100 3.546 4.899
207 HB3 HIS 31 2HB HIS 31 -0.540 3.637 3.196
208 HD1 HIS 31 HD1 HIS 31 2.457 2.884 5.384
209 HD2 HIS 31 HD2 HIS 31 1.094 2.236 1.513
210 HE1 HIS 31 HE1 HIS 31 4.116 1.307 4.342
211 H ARG 32 H ARG 32 0.444 5.307 1.364
212 HA ARG 32 HA ARG 32 2.997 4.822 0.482
213 HB2 ARG 32 1HB ARG 32 0.958 6.655 -0.793
214 HB3 ARG 32 2HB ARG 32 2.355 5.964 -1.607
215 HG2 ARG 32 1HG ARG 32 1.435 3.873 -1.715
216 HG3 ARG 32 2HG ARG 32 0.426 4.125 -0.289
217 HD2 ARG 32 1HD ARG 32 -1.130 4.176 -1.994
218 HD3 ARG 32 2HD ARG 32 -0.773 5.888 -1.773
219 HE ARG 32 HE ARG 32 0.216 5.928 -3.851
220 HH11 ARG 32 1HH1 ARG 32 -0.400 2.637 -2.898
221 HH12 ARG 32 2HH1 ARG 32 -0.044 1.980 -4.461
222 HH21 ARG 32 1HH2 ARG 32 0.687 5.076 -5.914
223 HH22 ARG 32 2HH2 ARG 32 0.575 3.368 -6.176
224 H GLY 33 H GLY 33 1.816 7.635 2.042
225 HA2 GLY 33 1HA GLY 33 3.463 9.641 1.039
226 HA3 GLY 33 2HA GLY 33 2.848 9.581 2.684
227 H ILE 34 H ILE 34 4.160 7.181 3.474
228 HA ILE 34 HA ILE 34 6.547 8.161 4.479
229 HB ILE 34 HB ILE 34 7.096 5.928 5.146
230 HG12 ILE 34 1HG1 ILE 34 4.982 4.976 3.201
231 HG13 ILE 34 2HG1 ILE 34 6.719 4.851 2.947
232 HG21 ILE 34 1HG2 ILE 34 5.235 6.980 6.319
233 HG22 ILE 34 2HG2 ILE 34 4.102 6.286 5.160
234 HG23 ILE 34 3HG2 ILE 34 5.020 5.231 6.234
235 HD11 ILE 34 3HD1 ILE 34 5.065 3.453 5.027
236 HD12 ILE 34 1HD1 ILE 34 5.939 2.735 3.675
237 HD13 ILE 34 2HD1 ILE 34 6.828 3.456 5.018
238 H HIS 35 H HIS 35 5.888 6.615 1.421
239 HA HIS 35 HA HIS 35 8.705 6.305 0.790
240 HB2 HIS 35 1HB HIS 35 6.333 5.875 -1.031
241 HB3 HIS 35 2HB HIS 35 7.971 5.266 -1.251
242 HD1 HIS 35 HD1 HIS 35 8.698 3.694 1.018
243 HD2 HIS 35 HD2 HIS 35 4.710 3.930 -0.124
244 HE1 HIS 35 HE1 HIS 35 7.586 1.682 2.038
245 H THR 36 H THR 36 5.951 8.262 -0.277
246 HA THR 36 HA THR 36 7.686 9.841 -2.008
247 HB THR 36 HB THR 36 5.603 11.013 -2.671
248 HG1 THR 36 HG1 THR 36 4.342 10.788 -0.834
249 HG21 THR 36 3HG2 THR 36 5.027 8.083 -2.855
250 HG22 THR 36 1HG2 THR 36 6.464 8.744 -3.633
251 HG23 THR 36 2HG2 THR 36 4.866 9.335 -4.087
252 H GLY 37 H GLY 37 8.971 10.908 -0.462
253 HA2 GLY 37 1HA GLY 37 7.592 13.163 0.818
254 HA3 GLY 37 2HA GLY 37 8.628 12.144 1.806
255 H GLU 38 H GLU 38 10.850 11.735 0.517
256 HA GLU 38 HA GLU 38 11.829 14.416 -0.218
257 HB2 GLU 38 1HB GLU 38 13.031 12.251 1.464
258 HB3 GLU 38 2HB GLU 38 14.088 13.350 0.590
259 HG2 GLU 38 1HG GLU 38 13.844 14.238 2.756
260 HG3 GLU 38 2HG GLU 38 12.859 15.242 1.694
261 H LYS 39 H LYS 39 13.665 14.468 -1.694
262 HA LYS 39 HA LYS 39 13.712 12.151 -3.515
263 HB2 LYS 39 1HB LYS 39 14.166 13.886 -5.328
264 HB3 LYS 39 2HB LYS 39 12.528 13.813 -4.694
265 HG2 LYS 39 1HG LYS 39 14.451 15.725 -3.471
266 HG3 LYS 39 2HG LYS 39 13.746 16.105 -5.045
267 HD2 LYS 39 1HD LYS 39 11.625 16.312 -4.196
268 HD3 LYS 39 2HD LYS 39 11.938 15.207 -2.855
269 HE2 LYS 39 1HE LYS 39 13.527 17.030 -1.992
270 HE3 LYS 39 2HE LYS 39 12.712 18.093 -3.138
271 HZ1 LYS 39 3HZ LYS 39 11.801 18.082 -0.815
272 HZ2 LYS 39 1HZ LYS 39 11.250 16.509 -1.105
273 HZ3 LYS 39 2HZ LYS 39 10.666 17.794 -2.036
274 HA PRO 40 HA PRO 40 18.076 12.104 -2.942
275 HB2 PRO 40 1HB PRO 40 18.803 10.833 -5.228
276 HB3 PRO 40 2HB PRO 40 18.026 10.004 -3.873
277 HG2 PRO 40 1HG PRO 40 16.818 11.018 -6.418
278 HG3 PRO 40 2HG PRO 40 16.533 9.483 -5.578
279 HD2 PRO 40 1HD PRO 40 14.833 11.583 -5.393
280 HD3 PRO 40 2HD PRO 40 15.085 10.438 -4.059
281 H SER 41 H SER 41 20.077 12.885 -3.872
282 HA SER 41 HA SER 41 19.796 15.423 -5.099
283 HB2 SER 41 1HB SER 41 22.324 15.326 -5.221
284 HB3 SER 41 2HB SER 41 21.641 15.095 -3.612
285 HG SER 41 HG SER 41 22.055 12.818 -5.158
286 H GLY 42 H GLY 42 18.980 15.452 -7.127
287 HA2 GLY 42 1HA GLY 42 20.047 13.606 -9.130
288 HA3 GLY 42 2HA GLY 42 18.648 14.651 -9.324
289 HA PRO 43 HA PRO 43 22.778 16.517 -10.966
290 HB2 PRO 43 1HB PRO 43 22.843 15.531 -13.495
291 HB3 PRO 43 2HB PRO 43 23.651 14.742 -12.135
292 HG2 PRO 43 1HG PRO 43 21.012 14.107 -13.398
293 HG3 PRO 43 2HG PRO 43 22.292 13.001 -12.865
294 HD2 PRO 43 1HD PRO 43 20.067 13.472 -11.395
295 HD3 PRO 43 2HD PRO 43 21.641 13.113 -10.656
296 H SER 44 H SER 44 22.539 18.501 -11.797
297 HA SER 44 HA SER 44 20.015 19.409 -12.720
298 HB2 SER 44 1HB SER 44 21.996 20.696 -11.551
299 HB3 SER 44 2HB SER 44 22.517 20.980 -13.212
300 HG SER 44 HG SER 44 19.904 21.550 -12.272
301 H SER 45 H SER 45 19.842 20.723 -14.797
302 HA SER 45 HA SER 45 19.783 19.192 -17.004
303 HB2 SER 45 1HB SER 45 18.826 21.390 -17.072
304 HB3 SER 45 2HB SER 45 20.403 22.147 -16.850
305 HG SER 45 HG SER 45 20.991 21.255 -18.903
306 H GLY 46 H GLY 46 22.551 21.271 -16.148
307 HA2 GLY 46 1HA GLY 46 24.280 20.883 -18.174
308 HA3 GLY 46 2HA GLY 46 24.809 20.881 -16.498
Start of MODEL 3
1 H1 GLY 1 H GLY 1 11.794 -26.138 1.042
2 HA2 GLY 1 1HA GLY 1 10.969 -24.296 -0.915
3 HA3 GLY 1 2HA GLY 1 10.602 -26.015 -0.915
4 H SER 2 H SER 2 9.453 -22.835 -0.174
5 HA SER 2 HA SER 2 6.917 -23.886 0.839
6 HB2 SER 2 1HB SER 2 6.413 -21.454 1.276
7 HB3 SER 2 2HB SER 2 7.806 -22.084 2.156
8 HG SER 2 HG SER 2 7.830 -20.501 -0.198
9 H SER 3 H SER 3 6.206 -24.758 -1.174
10 HA SER 3 HA SER 3 5.628 -22.831 -3.299
11 HB2 SER 3 1HB SER 3 5.037 -24.833 -4.642
12 HB3 SER 3 2HB SER 3 6.679 -24.915 -4.003
13 HG SER 3 HG SER 3 5.503 -26.880 -3.730
14 H GLY 4 H GLY 4 3.483 -22.909 -4.339
15 HA2 GLY 4 1HA GLY 4 1.202 -24.084 -3.353
16 HA3 GLY 4 2HA GLY 4 1.422 -22.641 -2.375
17 H SER 5 H SER 5 -0.697 -23.340 -4.298
18 HA SER 5 HA SER 5 -0.294 -21.599 -6.566
19 HB2 SER 5 1HB SER 5 -2.644 -23.221 -5.587
20 HB3 SER 5 2HB SER 5 -2.755 -22.146 -6.981
21 HG SER 5 HG SER 5 -0.814 -24.198 -6.741
22 H SER 6 H SER 6 -2.480 -21.626 -3.752
23 HA SER 6 HA SER 6 -2.433 -18.709 -3.733
24 HB2 SER 6 1HB SER 6 -4.929 -18.635 -3.493
25 HB3 SER 6 2HB SER 6 -4.381 -19.149 -5.088
26 HG SER 6 HG SER 6 -6.113 -20.411 -3.913
27 H GLY 7 H GLY 7 -2.952 -17.783 -1.723
28 HA2 GLY 7 1HA GLY 7 -2.676 -19.660 0.510
29 HA3 GLY 7 2HA GLY 7 -2.390 -17.928 0.575
30 H THR 8 H THR 8 -3.815 -16.903 1.791
31 HA THR 8 HA THR 8 -6.487 -18.050 2.138
32 HB THR 8 HB THR 8 -5.161 -15.826 3.700
33 HG1 THR 8 HG1 THR 8 -4.773 -17.427 5.242
34 HG21 THR 8 3HG2 THR 8 -7.864 -16.762 3.591
35 HG22 THR 8 1HG2 THR 8 -7.177 -15.476 4.582
36 HG23 THR 8 2HG2 THR 8 -7.182 -17.137 5.173
37 H GLY 9 H GLY 9 -5.084 -14.778 1.806
38 HA2 GLY 9 1HA GLY 9 -6.217 -13.758 -0.355
39 HA3 GLY 9 2HA GLY 9 -7.619 -13.836 0.702
40 H GLU 10 H GLU 10 -5.807 -11.632 -0.514
41 HA GLU 10 HA GLU 10 -5.398 -10.151 2.000
42 HB2 GLU 10 1HB GLU 10 -3.925 -10.023 -0.624
43 HB3 GLU 10 2HB GLU 10 -3.818 -8.735 0.568
44 HG2 GLU 10 1HG GLU 10 -1.948 -10.336 0.680
45 HG3 GLU 10 2HG GLU 10 -2.864 -10.225 2.182
46 H LYS 11 H LYS 11 -5.669 -7.771 1.798
47 HA LYS 11 HA LYS 11 -8.219 -7.171 0.694
48 HB2 LYS 11 1HB LYS 11 -6.134 -5.684 2.208
49 HB3 LYS 11 2HB LYS 11 -7.309 -4.734 1.306
50 HG2 LYS 11 1HG LYS 11 -8.289 -4.892 3.383
51 HG3 LYS 11 2HG LYS 11 -9.061 -6.215 2.506
52 HD2 LYS 11 1HD LYS 11 -6.553 -6.787 4.002
53 HD3 LYS 11 2HD LYS 11 -8.041 -6.559 4.923
54 HE2 LYS 11 1HE LYS 11 -9.015 -8.234 3.151
55 HE3 LYS 11 2HE LYS 11 -7.322 -8.686 2.959
56 HZ1 LYS 11 3HZ LYS 11 -7.547 -9.955 4.743
57 HZ2 LYS 11 1HZ LYS 11 -9.122 -9.399 5.015
58 HZ3 LYS 11 2HZ LYS 11 -7.806 -8.573 5.683
59 HA PRO 12 HA PRO 12 -7.273 -5.654 -3.313
60 HB2 PRO 12 1HB PRO 12 -8.981 -3.556 -3.544
61 HB3 PRO 12 2HB PRO 12 -9.518 -5.240 -3.575
62 HG2 PRO 12 1HG PRO 12 -9.555 -3.282 -1.311
63 HG3 PRO 12 2HG PRO 12 -10.803 -4.438 -1.812
64 HD2 PRO 12 1HD PRO 12 -9.130 -4.910 0.264
65 HD3 PRO 12 2HD PRO 12 -9.760 -6.209 -0.769
66 H TYR 13 H TYR 13 -6.459 -3.944 -0.577
67 HA TYR 13 HA TYR 13 -5.103 -1.857 -2.157
68 HB2 TYR 13 1HB TYR 13 -5.984 -1.662 0.730
69 HB3 TYR 13 2HB TYR 13 -5.236 -0.387 -0.225
70 HD1 TYR 13 HD2 TYR 13 -8.313 -2.290 0.368
71 HD2 TYR 13 HD1 TYR 13 -6.510 0.844 -1.875
72 HE1 TYR 13 HE2 TYR 13 -10.540 -1.529 -0.347
73 HE2 TYR 13 HE1 TYR 13 -8.732 1.615 -2.596
74 HH TYR 13 HH TYR 13 -11.623 0.472 -1.175
75 H LYS 14 H LYS 14 -3.057 -2.493 -2.392
76 HA LYS 14 HA LYS 14 -1.551 -3.201 0.025
77 HB2 LYS 14 1HB LYS 14 -1.826 -5.332 -0.903
78 HB3 LYS 14 2HB LYS 14 -1.688 -4.735 -2.552
79 HG2 LYS 14 1HG LYS 14 0.613 -4.633 -2.467
80 HG3 LYS 14 2HG LYS 14 0.648 -4.539 -0.705
81 HD2 LYS 14 1HD LYS 14 -0.320 -6.916 -0.757
82 HD3 LYS 14 2HD LYS 14 0.173 -6.934 -2.452
83 HE2 LYS 14 1HE LYS 14 2.013 -6.346 -0.136
84 HE3 LYS 14 2HE LYS 14 1.850 -7.923 -0.907
85 HZ1 LYS 14 3HZ LYS 14 2.603 -6.960 -2.981
86 HZ2 LYS 14 1HZ LYS 14 3.747 -6.684 -1.765
87 HZ3 LYS 14 2HZ LYS 14 2.726 -5.432 -2.267
88 H CYS 15 H CYS 15 0.030 -1.780 0.275
89 HA CYS 15 HA CYS 15 0.795 0.168 -1.520
90 HB2 CYS 15 1HB CYS 15 1.332 0.206 0.891
91 HB3 CYS 15 2HB CYS 15 2.515 -1.073 0.638
92 H ASN 16 H ASN 16 2.149 0.302 -3.211
93 HA ASN 16 HA ASN 16 3.457 -2.165 -4.085
94 HB2 ASN 16 1HB ASN 16 2.615 0.355 -5.493
95 HB3 ASN 16 2HB ASN 16 3.769 -0.750 -6.235
96 HD21 ASN 16 1HD2 ASN 16 1.055 0.000 -7.038
97 HD22 ASN 16 2HD2 ASN 16 0.172 -1.481 -7.149
98 H GLU 17 H GLU 17 4.458 -0.230 -1.986
99 HA GLU 17 HA GLU 17 7.065 0.360 -3.227
100 HB2 GLU 17 1HB GLU 17 5.682 1.770 -0.939
101 HB3 GLU 17 2HB GLU 17 7.327 2.102 -1.464
102 HG2 GLU 17 1HG GLU 17 5.135 2.263 -3.465
103 HG3 GLU 17 2HG GLU 17 5.306 3.560 -2.283
104 H CYS 18 H CYS 18 5.426 -0.750 -0.297
105 HA CYS 18 HA CYS 18 7.959 -1.987 0.565
106 HB2 CYS 18 1HB CYS 18 7.021 -1.905 2.873
107 HB3 CYS 18 2HB CYS 18 7.268 -0.313 2.164
108 H GLY 19 H GLY 19 4.490 -2.412 0.162
109 HA2 GLY 19 1HA GLY 19 3.675 -4.545 -0.638
110 HA3 GLY 19 2HA GLY 19 4.922 -5.325 0.325
111 H LYS 20 H LYS 20 3.054 -2.684 1.609
112 HA LYS 20 HA LYS 20 2.080 -4.378 3.733
113 HB2 LYS 20 1HB LYS 20 2.153 -1.458 3.177
114 HB3 LYS 20 2HB LYS 20 0.893 -2.037 4.259
115 HG2 LYS 20 1HG LYS 20 2.524 -2.968 5.752
116 HG3 LYS 20 2HG LYS 20 3.830 -2.590 4.627
117 HD2 LYS 20 1HD LYS 20 3.321 -0.192 4.880
118 HD3 LYS 20 2HD LYS 20 2.062 -0.598 6.049
119 HE2 LYS 20 1HE LYS 20 5.004 -1.208 6.333
120 HE3 LYS 20 2HE LYS 20 4.137 0.091 7.152
121 HZ1 LYS 20 3HZ LYS 20 2.825 -2.371 7.591
122 HZ2 LYS 20 1HZ LYS 20 3.510 -1.317 8.723
123 HZ3 LYS 20 2HZ LYS 20 4.457 -2.523 8.009
124 H VAL 21 H VAL 21 -0.337 -3.617 4.423
125 HA VAL 21 HA VAL 21 -2.106 -3.675 2.103
126 HB VAL 21 HB VAL 21 -2.198 -5.789 4.261
127 HG11 VAL 21 1HG1 VAL 21 -4.430 -5.448 3.807
128 HG12 VAL 21 2HG1 VAL 21 -4.129 -4.979 2.133
129 HG13 VAL 21 3HG1 VAL 21 -4.017 -6.673 2.609
130 HG21 VAL 21 3HG2 VAL 21 -1.635 -5.997 1.304
131 HG22 VAL 21 1HG2 VAL 21 -0.467 -6.214 2.607
132 HG23 VAL 21 2HG2 VAL 21 -1.796 -7.357 2.414
133 H PHE 22 H PHE 22 -4.093 -2.770 2.467
134 HA PHE 22 HA PHE 22 -4.804 -2.034 5.211
135 HB2 PHE 22 1HB PHE 22 -5.001 -0.015 2.985
136 HB3 PHE 22 2HB PHE 22 -5.115 0.256 4.721
137 HD1 PHE 22 HD2 PHE 22 -2.776 -0.646 1.999
138 HD2 PHE 22 HD1 PHE 22 -3.214 0.763 5.992
139 HE1 PHE 22 HE2 PHE 22 -0.379 -0.097 2.065
140 HE2 PHE 22 HE1 PHE 22 -0.817 1.315 6.063
141 HZ PHE 22 HZ PHE 22 0.604 0.884 4.099
142 H THR 23 H THR 23 -7.046 -1.440 5.474
143 HA THR 23 HA THR 23 -8.760 -2.974 3.710
144 HB THR 23 HB THR 23 -9.415 -1.466 6.249
145 HG1 THR 23 HG1 THR 23 -8.110 -3.254 6.669
146 HG21 THR 23 3HG2 THR 23 -11.442 -1.624 5.066
147 HG22 THR 23 1HG2 THR 23 -11.459 -3.004 6.163
148 HG23 THR 23 2HG2 THR 23 -11.062 -3.236 4.460
149 H GLN 24 H GLN 24 -8.157 0.378 4.536
150 HA GLN 24 HA GLN 24 -10.197 1.188 2.572
151 HB2 GLN 24 1HB GLN 24 -10.429 1.931 5.019
152 HB3 GLN 24 2HB GLN 24 -9.057 2.984 4.702
153 HG2 GLN 24 1HG GLN 24 -11.067 4.246 4.454
154 HG3 GLN 24 2HG GLN 24 -10.338 4.028 2.864
155 HE21 GLN 24 1HE2 GLN 24 -11.750 3.615 1.339
156 HE22 GLN 24 2HE2 GLN 24 -13.230 2.743 1.521
157 H ASN 25 H ASN 25 -9.699 3.021 1.221
158 HA ASN 25 HA ASN 25 -7.110 2.871 0.088
159 HB2 ASN 25 1HB ASN 25 -8.995 3.438 -1.307
160 HB3 ASN 25 2HB ASN 25 -9.355 4.855 -0.324
161 HD21 ASN 25 1HD2 ASN 25 -6.642 3.449 -2.131
162 HD22 ASN 25 2HD2 ASN 25 -6.116 4.939 -2.830
163 H SER 26 H SER 26 -8.726 5.405 1.991
164 HA SER 26 HA SER 26 -6.805 7.347 2.023
165 HB2 SER 26 1HB SER 26 -8.576 6.435 4.300
166 HB3 SER 26 2HB SER 26 -7.645 7.932 4.316
167 HG SER 26 HG SER 26 -9.860 8.156 3.601
168 H HIS 27 H HIS 27 -6.986 4.539 4.196
169 HA HIS 27 HA HIS 27 -4.745 5.086 5.751
170 HB2 HIS 27 1HB HIS 27 -5.654 2.330 4.907
171 HB3 HIS 27 2HB HIS 27 -4.759 2.756 6.363
172 HD1 HIS 27 HD1 HIS 27 -7.407 1.239 6.584
173 HD2 HIS 27 HD2 HIS 27 -7.090 5.378 6.750
174 HE1 HIS 27 HE1 HIS 27 -9.457 2.021 7.813
175 H LEU 28 H LEU 28 -4.997 3.436 2.637
176 HA LEU 28 HA LEU 28 -2.225 2.743 2.520
177 HB2 LEU 28 1HB LEU 28 -3.605 1.358 1.260
178 HB3 LEU 28 2HB LEU 28 -4.498 2.714 0.574
179 HG LEU 28 HG LEU 28 -2.515 3.278 -0.794
180 HD11 LEU 28 1HD1 LEU 28 -0.530 2.278 -0.584
181 HD12 LEU 28 2HD1 LEU 28 -1.248 0.675 -0.430
182 HD13 LEU 28 3HD1 LEU 28 -1.129 1.726 0.981
183 HD21 LEU 28 3HD2 LEU 28 -3.163 1.881 -2.446
184 HD22 LEU 28 1HD2 LEU 28 -4.423 1.450 -1.289
185 HD23 LEU 28 2HD2 LEU 28 -2.986 0.439 -1.445
186 H ALA 29 H ALA 29 -4.082 4.880 0.351
187 HA ALA 29 HA ALA 29 -2.101 6.174 -0.937
188 HB1 ALA 29 3HB ALA 29 -3.679 7.622 -1.611
189 HB2 ALA 29 1HB ALA 29 -4.775 6.573 -0.710
190 HB3 ALA 29 2HB ALA 29 -4.145 8.041 0.038
191 H ARG 30 H ARG 30 -3.357 7.147 2.251
192 HA ARG 30 HA ARG 30 -1.573 9.293 2.630
193 HB2 ARG 30 1HB ARG 30 -2.500 9.505 4.719
194 HB3 ARG 30 2HB ARG 30 -3.753 8.560 3.925
195 HG2 ARG 30 1HG ARG 30 -2.782 6.512 4.891
196 HG3 ARG 30 2HG ARG 30 -1.598 7.505 5.742
197 HD2 ARG 30 1HD ARG 30 -4.546 7.973 6.043
198 HD3 ARG 30 2HD ARG 30 -3.703 6.767 7.014
199 HE ARG 30 HE ARG 30 -2.206 8.966 7.401
200 HH11 ARG 30 1HH1 ARG 30 -5.635 8.397 7.600
201 HH12 ARG 30 2HH1 ARG 30 -5.895 9.597 8.822
202 HH21 ARG 30 1HH2 ARG 30 -2.536 10.549 9.010
203 HH22 ARG 30 2HH2 ARG 30 -4.132 10.821 9.623
204 H HIS 31 H HIS 31 -1.333 5.859 3.321
205 HA HIS 31 HA HIS 31 0.977 5.971 4.946
206 HB2 HIS 31 1HB HIS 31 -0.072 3.931 5.135
207 HB3 HIS 31 2HB HIS 31 -0.449 3.844 3.417
208 HD1 HIS 31 HD1 HIS 31 2.448 3.352 5.795
209 HD2 HIS 31 HD2 HIS 31 1.322 2.391 1.913
210 HE1 HIS 31 HE1 HIS 31 4.199 1.749 4.964
211 H ARG 32 H ARG 32 0.552 5.391 1.465
212 HA ARG 32 HA ARG 32 3.133 4.880 0.706
213 HB2 ARG 32 1HB ARG 32 1.080 6.559 -0.744
214 HB3 ARG 32 2HB ARG 32 2.547 5.924 -1.477
215 HG2 ARG 32 1HG ARG 32 1.688 3.623 -0.769
216 HG3 ARG 32 2HG ARG 32 0.139 4.429 -0.508
217 HD2 ARG 32 1HD ARG 32 0.028 3.591 -2.699
218 HD3 ARG 32 2HD ARG 32 0.378 5.309 -2.883
219 HE ARG 32 HE ARG 32 2.811 3.958 -2.841
220 HH11 ARG 32 1HH1 ARG 32 -0.034 4.156 -4.837
221 HH12 ARG 32 2HH1 ARG 32 0.810 3.785 -6.304
222 HH21 ARG 32 1HH2 ARG 32 3.934 3.469 -4.765
223 HH22 ARG 32 2HH2 ARG 32 3.067 3.394 -6.262
224 H GLY 33 H GLY 33 1.881 7.791 2.011
225 HA2 GLY 33 1HA GLY 33 3.598 9.706 0.912
226 HA3 GLY 33 2HA GLY 33 2.855 9.809 2.502
227 H ILE 34 H ILE 34 4.079 7.514 3.641
228 HA ILE 34 HA ILE 34 6.390 8.589 4.719
229 HB ILE 34 HB ILE 34 6.843 6.467 5.691
230 HG12 ILE 34 1HG1 ILE 34 4.970 5.226 3.666
231 HG13 ILE 34 2HG1 ILE 34 6.726 5.180 3.553
232 HG21 ILE 34 1HG2 ILE 34 4.894 6.140 6.858
233 HG22 ILE 34 2HG2 ILE 34 4.588 7.722 6.142
234 HG23 ILE 34 3HG2 ILE 34 3.882 6.276 5.421
235 HD11 ILE 34 3HD1 ILE 34 6.431 3.187 4.549
236 HD12 ILE 34 1HD1 ILE 34 6.413 4.172 6.011
237 HD13 ILE 34 2HD1 ILE 34 4.895 3.653 5.279
238 H HIS 35 H HIS 35 5.948 6.824 1.760
239 HA HIS 35 HA HIS 35 8.791 6.364 1.397
240 HB2 HIS 35 1HB HIS 35 6.513 5.888 -0.535
241 HB3 HIS 35 2HB HIS 35 8.159 5.280 -0.688
242 HD1 HIS 35 HD1 HIS 35 8.807 3.848 1.729
243 HD2 HIS 35 HD2 HIS 35 4.897 3.917 0.325
244 HE1 HIS 35 HE1 HIS 35 7.682 1.855 2.773
245 H THR 36 H THR 36 6.231 8.351 -0.037
246 HA THR 36 HA THR 36 8.262 10.245 -0.936
247 HB THR 36 HB THR 36 7.280 10.448 -3.174
248 HG1 THR 36 HG1 THR 36 5.514 9.383 -3.714
249 HG21 THR 36 3HG2 THR 36 7.988 7.565 -2.646
250 HG22 THR 36 1HG2 THR 36 9.178 8.864 -2.705
251 HG23 THR 36 2HG2 THR 36 8.224 8.476 -4.137
252 H GLY 37 H GLY 37 7.632 12.327 -0.747
253 HA2 GLY 37 1HA GLY 37 4.766 12.834 -0.244
254 HA3 GLY 37 2HA GLY 37 6.020 13.555 0.754
255 H GLU 38 H GLU 38 3.876 14.601 -1.172
256 HA GLU 38 HA GLU 38 4.819 15.717 -3.455
257 HB2 GLU 38 1HB GLU 38 2.935 16.723 -1.368
258 HB3 GLU 38 2HB GLU 38 3.409 17.808 -2.667
259 HG2 GLU 38 1HG GLU 38 1.556 16.903 -3.602
260 HG3 GLU 38 2HG GLU 38 2.752 15.736 -4.162
261 H LYS 39 H LYS 39 6.653 16.734 -3.883
262 HA LYS 39 HA LYS 39 8.507 17.742 -2.175
263 HB2 LYS 39 1HB LYS 39 7.787 18.693 -4.946
264 HB3 LYS 39 2HB LYS 39 9.207 19.265 -4.079
265 HG2 LYS 39 1HG LYS 39 8.746 16.339 -4.507
266 HG3 LYS 39 2HG LYS 39 9.473 17.343 -5.764
267 HD2 LYS 39 1HD LYS 39 11.043 18.121 -3.823
268 HD3 LYS 39 2HD LYS 39 10.529 16.610 -3.066
269 HE2 LYS 39 1HE LYS 39 11.140 15.595 -5.404
270 HE3 LYS 39 2HE LYS 39 12.123 17.051 -5.551
271 HZ1 LYS 39 3HZ LYS 39 12.551 15.919 -3.018
272 HZ2 LYS 39 1HZ LYS 39 13.657 16.115 -4.284
273 HZ3 LYS 39 2HZ LYS 39 12.733 14.702 -4.180
274 HA PRO 40 HA PRO 40 7.014 21.439 -0.337
275 HB2 PRO 40 1HB PRO 40 9.310 22.867 -0.096
276 HB3 PRO 40 2HB PRO 40 8.945 21.458 0.907
277 HG2 PRO 40 1HG PRO 40 10.670 21.651 -1.532
278 HG3 PRO 40 2HG PRO 40 10.972 20.786 -0.014
279 HD2 PRO 40 1HD PRO 40 10.098 19.538 -2.253
280 HD3 PRO 40 2HD PRO 40 9.648 19.000 -0.622
281 H SER 41 H SER 41 8.212 21.366 -3.474
282 HA SER 41 HA SER 41 8.229 24.170 -4.034
283 HB2 SER 41 1HB SER 41 9.367 22.198 -5.328
284 HB3 SER 41 2HB SER 41 7.812 22.087 -6.154
285 HG SER 41 HG SER 41 8.952 24.616 -5.923
286 H GLY 42 H GLY 42 6.469 25.396 -4.029
287 HA2 GLY 42 1HA GLY 42 4.235 24.890 -5.670
288 HA3 GLY 42 2HA GLY 42 3.833 24.453 -4.016
289 HA PRO 43 HA PRO 43 2.781 28.909 -4.501
290 HB2 PRO 43 1HB PRO 43 0.500 28.752 -3.036
291 HB3 PRO 43 2HB PRO 43 0.560 28.380 -4.763
292 HG2 PRO 43 1HG PRO 43 0.593 26.515 -2.421
293 HG3 PRO 43 2HG PRO 43 -0.301 26.380 -3.947
294 HD2 PRO 43 1HD PRO 43 1.993 25.019 -3.477
295 HD3 PRO 43 2HD PRO 43 1.532 25.583 -5.096
296 H SER 44 H SER 44 2.753 30.574 -2.922
297 HA SER 44 HA SER 44 4.140 29.844 -0.474
298 HB2 SER 44 1HB SER 44 3.423 32.612 -1.461
299 HB3 SER 44 2HB SER 44 4.617 32.194 -0.233
300 HG SER 44 HG SER 44 4.885 31.079 -2.783
301 H SER 45 H SER 45 1.536 28.934 -0.468
302 HA SER 45 HA SER 45 -0.534 30.381 0.453
303 HB2 SER 45 1HB SER 45 -0.850 28.043 0.302
304 HB3 SER 45 2HB SER 45 0.478 27.708 1.413
305 HG SER 45 HG SER 45 -0.794 28.093 3.073
306 H GLY 46 H GLY 46 2.076 29.167 2.561
307 HA2 GLY 46 1HA GLY 46 2.088 31.547 4.135
308 HA3 GLY 46 2HA GLY 46 1.246 30.245 4.962
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.527 -32.620 -2.595
2 HA2 GLY 1 1HA GLY 1 1.225 -30.176 -4.190
3 HA3 GLY 1 2HA GLY 1 0.089 -31.489 -4.460
4 H SER 2 H SER 2 1.462 -29.622 -1.751
5 HA SER 2 HA SER 2 -1.135 -29.806 -0.398
6 HB2 SER 2 1HB SER 2 1.191 -30.390 0.687
7 HB3 SER 2 2HB SER 2 1.302 -28.643 0.900
8 HG SER 2 HG SER 2 -0.552 -28.692 2.131
9 H SER 3 H SER 3 -1.892 -27.863 0.766
10 HA SER 3 HA SER 3 -2.278 -25.705 -0.933
11 HB2 SER 3 1HB SER 3 -3.478 -26.430 1.307
12 HB3 SER 3 2HB SER 3 -2.372 -25.258 2.023
13 HG SER 3 HG SER 3 -4.606 -24.630 1.074
14 H GLY 4 H GLY 4 -1.337 -23.721 -1.201
15 HA2 GLY 4 1HA GLY 4 1.417 -23.463 -0.785
16 HA3 GLY 4 2HA GLY 4 0.332 -22.147 -1.210
17 H SER 5 H SER 5 0.151 -20.549 0.209
18 HA SER 5 HA SER 5 0.802 -21.109 3.028
19 HB2 SER 5 1HB SER 5 1.467 -18.594 1.478
20 HB3 SER 5 2HB SER 5 1.823 -18.883 3.181
21 HG SER 5 HG SER 5 2.751 -20.702 1.258
22 H SER 6 H SER 6 0.044 -19.127 4.420
23 HA SER 6 HA SER 6 -2.625 -19.133 4.728
24 HB2 SER 6 1HB SER 6 -1.342 -17.993 6.363
25 HB3 SER 6 2HB SER 6 -0.692 -16.861 5.178
26 HG SER 6 HG SER 6 -2.716 -16.429 6.698
27 H GLY 7 H GLY 7 -4.428 -18.095 3.951
28 HA2 GLY 7 1HA GLY 7 -4.118 -16.102 1.838
29 HA3 GLY 7 2HA GLY 7 -4.905 -17.610 1.395
30 H THR 8 H THR 8 -5.082 -15.045 3.857
31 HA THR 8 HA THR 8 -7.876 -15.575 4.344
32 HB THR 8 HB THR 8 -6.406 -14.812 6.172
33 HG1 THR 8 HG1 THR 8 -7.877 -12.849 6.648
34 HG21 THR 8 3HG2 THR 8 -5.501 -12.625 6.268
35 HG22 THR 8 1HG2 THR 8 -6.400 -12.110 4.842
36 HG23 THR 8 2HG2 THR 8 -5.070 -13.256 4.679
37 H GLY 9 H GLY 9 -7.541 -15.029 1.668
38 HA2 GLY 9 1HA GLY 9 -8.411 -13.744 -0.023
39 HA3 GLY 9 2HA GLY 9 -9.462 -13.048 1.202
40 H GLU 10 H GLU 10 -6.276 -12.789 -0.299
41 HA GLU 10 HA GLU 10 -5.180 -10.611 0.858
42 HB2 GLU 10 1HB GLU 10 -4.135 -10.066 -1.265
43 HB3 GLU 10 2HB GLU 10 -4.193 -11.811 -1.057
44 HG2 GLU 10 1HG GLU 10 -6.200 -10.260 -2.669
45 HG3 GLU 10 2HG GLU 10 -4.746 -10.990 -3.349
46 H LYS 11 H LYS 11 -5.499 -8.451 0.975
47 HA LYS 11 HA LYS 11 -8.090 -7.441 0.238
48 HB2 LYS 11 1HB LYS 11 -5.709 -6.165 1.587
49 HB3 LYS 11 2HB LYS 11 -7.215 -5.312 1.275
50 HG2 LYS 11 1HG LYS 11 -7.051 -7.846 2.886
51 HG3 LYS 11 2HG LYS 11 -6.957 -6.229 3.589
52 HD2 LYS 11 1HD LYS 11 -9.244 -7.045 1.823
53 HD3 LYS 11 2HD LYS 11 -9.243 -7.396 3.553
54 HE2 LYS 11 1HE LYS 11 -9.281 -5.138 4.132
55 HE3 LYS 11 2HE LYS 11 -8.708 -4.625 2.546
56 HZ1 LYS 11 3HZ LYS 11 -10.977 -5.748 1.836
57 HZ2 LYS 11 1HZ LYS 11 -10.890 -4.129 2.321
58 HZ3 LYS 11 2HZ LYS 11 -11.407 -5.313 3.413
59 HA PRO 12 HA PRO 12 -7.073 -5.599 -3.621
60 HB2 PRO 12 1HB PRO 12 -8.839 -3.537 -3.644
61 HB3 PRO 12 2HB PRO 12 -9.325 -5.220 -3.878
62 HG2 PRO 12 1HG PRO 12 -9.457 -3.537 -1.406
63 HG3 PRO 12 2HG PRO 12 -10.662 -4.661 -2.059
64 HD2 PRO 12 1HD PRO 12 -9.009 -5.321 -0.019
65 HD3 PRO 12 2HD PRO 12 -9.584 -6.511 -1.205
66 H TYR 13 H TYR 13 -6.662 -3.965 -0.650
67 HA TYR 13 HA TYR 13 -5.251 -1.745 -1.968
68 HB2 TYR 13 1HB TYR 13 -6.137 -1.913 0.917
69 HB3 TYR 13 2HB TYR 13 -5.506 -0.497 0.083
70 HD1 TYR 13 HD2 TYR 13 -8.410 -2.724 0.448
71 HD2 TYR 13 HD1 TYR 13 -6.908 0.825 -1.356
72 HE1 TYR 13 HE2 TYR 13 -10.700 -2.075 -0.169
73 HE2 TYR 13 HE1 TYR 13 -9.194 1.484 -1.977
74 HH TYR 13 HH TYR 13 -11.649 0.844 -0.904
75 H LYS 14 H LYS 14 -3.231 -2.517 -2.324
76 HA LYS 14 HA LYS 14 -1.661 -3.209 0.057
77 HB2 LYS 14 1HB LYS 14 -1.948 -5.349 -0.825
78 HB3 LYS 14 2HB LYS 14 -1.902 -4.777 -2.488
79 HG2 LYS 14 1HG LYS 14 0.470 -4.419 -2.354
80 HG3 LYS 14 2HG LYS 14 0.470 -4.815 -0.634
81 HD2 LYS 14 1HD LYS 14 -0.631 -7.054 -1.537
82 HD3 LYS 14 2HD LYS 14 0.242 -6.598 -3.001
83 HE2 LYS 14 1HE LYS 14 1.732 -7.964 -1.810
84 HE3 LYS 14 2HE LYS 14 2.281 -6.318 -1.499
85 HZ1 LYS 14 3HZ LYS 14 1.696 -6.433 0.666
86 HZ2 LYS 14 1HZ LYS 14 1.928 -8.091 0.421
87 HZ3 LYS 14 2HZ LYS 14 0.367 -7.441 0.388
88 H CYS 15 H CYS 15 0.119 -2.017 0.224
89 HA CYS 15 HA CYS 15 0.801 -0.072 -1.715
90 HB2 CYS 15 1HB CYS 15 1.226 0.256 0.678
91 HB3 CYS 15 2HB CYS 15 2.388 -1.067 0.662
92 H ASN 16 H ASN 16 2.499 0.050 -3.151
93 HA ASN 16 HA ASN 16 3.680 -2.523 -3.894
94 HB2 ASN 16 1HB ASN 16 2.423 -0.921 -5.521
95 HB3 ASN 16 2HB ASN 16 3.932 -0.013 -5.523
96 HD21 ASN 16 1HD2 ASN 16 2.706 -1.342 -7.736
97 HD22 ASN 16 2HD2 ASN 16 3.815 -2.549 -8.282
98 H GLU 17 H GLU 17 4.497 0.586 -2.616
99 HA GLU 17 HA GLU 17 7.234 0.666 -3.252
100 HB2 GLU 17 1HB GLU 17 5.533 1.932 -1.140
101 HB3 GLU 17 2HB GLU 17 7.283 2.069 -1.033
102 HG2 GLU 17 1HG GLU 17 6.516 4.009 -2.129
103 HG3 GLU 17 2HG GLU 17 7.256 2.992 -3.364
104 H CYS 18 H CYS 18 5.573 -0.518 -0.336
105 HA CYS 18 HA CYS 18 8.048 -1.931 0.404
106 HB2 CYS 18 1HB CYS 18 7.077 -1.995 2.707
107 HB3 CYS 18 2HB CYS 18 7.400 -0.368 2.119
108 H GLY 19 H GLY 19 4.501 -2.258 0.424
109 HA2 GLY 19 1HA GLY 19 3.651 -4.317 -0.679
110 HA3 GLY 19 2HA GLY 19 4.890 -5.182 0.219
111 H LYS 20 H LYS 20 3.040 -2.576 1.629
112 HA LYS 20 HA LYS 20 2.117 -4.324 3.724
113 HB2 LYS 20 1HB LYS 20 2.091 -1.398 3.198
114 HB3 LYS 20 2HB LYS 20 0.859 -2.029 4.283
115 HG2 LYS 20 1HG LYS 20 2.532 -2.925 5.752
116 HG3 LYS 20 2HG LYS 20 3.815 -2.484 4.623
117 HD2 LYS 20 1HD LYS 20 3.241 -0.114 4.917
118 HD3 LYS 20 2HD LYS 20 1.982 -0.569 6.068
119 HE2 LYS 20 1HE LYS 20 4.940 -1.082 6.372
120 HE3 LYS 20 2HE LYS 20 4.013 0.159 7.214
121 HZ1 LYS 20 3HZ LYS 20 2.796 -2.362 7.580
122 HZ2 LYS 20 1HZ LYS 20 3.433 -1.312 8.744
123 HZ3 LYS 20 2HZ LYS 20 4.430 -2.463 8.007
124 H VAL 21 H VAL 21 -0.320 -3.639 4.437
125 HA VAL 21 HA VAL 21 -2.099 -3.750 2.126
126 HB VAL 21 HB VAL 21 -2.132 -5.850 4.297
127 HG11 VAL 21 1HG1 VAL 21 -4.103 -5.037 2.235
128 HG12 VAL 21 2HG1 VAL 21 -3.897 -6.764 2.535
129 HG13 VAL 21 3HG1 VAL 21 -4.358 -5.688 3.854
130 HG21 VAL 21 3HG2 VAL 21 -0.376 -6.207 2.628
131 HG22 VAL 21 1HG2 VAL 21 -1.647 -7.423 2.496
132 HG23 VAL 21 2HG2 VAL 21 -1.576 -6.093 1.341
133 H PHE 22 H PHE 22 -4.102 -2.888 2.491
134 HA PHE 22 HA PHE 22 -4.822 -2.159 5.236
135 HB2 PHE 22 1HB PHE 22 -5.100 -0.160 3.002
136 HB3 PHE 22 2HB PHE 22 -5.190 0.117 4.739
137 HD1 PHE 22 HD2 PHE 22 -2.871 -0.759 1.989
138 HD2 PHE 22 HD1 PHE 22 -3.287 0.705 5.964
139 HE1 PHE 22 HE2 PHE 22 -0.489 -0.145 2.009
140 HE2 PHE 22 HE1 PHE 22 -0.905 1.322 5.990
141 HZ PHE 22 HZ PHE 22 0.497 0.896 4.011
142 H THR 23 H THR 23 -7.110 -1.254 5.299
143 HA THR 23 HA THR 23 -8.783 -2.864 3.491
144 HB THR 23 HB THR 23 -9.056 -3.497 5.814
145 HG1 THR 23 HG1 THR 23 -11.289 -1.938 4.964
146 HG21 THR 23 3HG2 THR 23 -8.661 -0.787 6.338
147 HG22 THR 23 1HG2 THR 23 -9.031 -2.048 7.512
148 HG23 THR 23 2HG2 THR 23 -10.334 -1.097 6.799
149 H GLN 24 H GLN 24 -7.841 0.283 4.105
150 HA GLN 24 HA GLN 24 -10.252 1.330 2.776
151 HB2 GLN 24 1HB GLN 24 -8.569 2.970 4.654
152 HB3 GLN 24 2HB GLN 24 -10.195 3.300 4.070
153 HG2 GLN 24 1HG GLN 24 -9.669 0.886 5.745
154 HG3 GLN 24 2HG GLN 24 -9.836 2.472 6.497
155 HE21 GLN 24 1HE2 GLN 24 -11.564 0.338 6.987
156 HE22 GLN 24 2HE2 GLN 24 -13.129 0.746 6.381
157 H ASN 25 H ASN 25 -9.836 3.419 1.615
158 HA ASN 25 HA ASN 25 -7.467 3.107 -0.020
159 HB2 ASN 25 1HB ASN 25 -9.274 3.601 -1.374
160 HB3 ASN 25 2HB ASN 25 -9.988 4.702 -0.200
161 HD21 ASN 25 1HD2 ASN 25 -10.049 6.675 -0.969
162 HD22 ASN 25 2HD2 ASN 25 -8.811 7.452 -1.892
163 H SER 26 H SER 26 -8.767 5.388 2.319
164 HA SER 26 HA SER 26 -6.827 7.417 1.909
165 HB2 SER 26 1HB SER 26 -7.596 8.219 4.178
166 HB3 SER 26 2HB SER 26 -8.881 8.016 2.988
167 HG SER 26 HG SER 26 -9.751 6.842 4.504
168 H HIS 27 H HIS 27 -7.108 4.805 4.300
169 HA HIS 27 HA HIS 27 -4.802 5.387 5.767
170 HB2 HIS 27 1HB HIS 27 -6.179 2.746 5.247
171 HB3 HIS 27 2HB HIS 27 -4.877 2.958 6.415
172 HD1 HIS 27 HD1 HIS 27 -6.688 2.161 8.200
173 HD2 HIS 27 HD2 HIS 27 -7.404 5.847 6.421
174 HE1 HIS 27 HE1 HIS 27 -8.399 3.290 9.657
175 H LEU 28 H LEU 28 -5.244 3.593 2.779
176 HA LEU 28 HA LEU 28 -2.571 2.577 2.689
177 HB2 LEU 28 1HB LEU 28 -3.946 1.266 1.429
178 HB3 LEU 28 2HB LEU 28 -4.918 2.628 0.877
179 HG LEU 28 HG LEU 28 -3.042 3.253 -0.649
180 HD11 LEU 28 1HD1 LEU 28 -1.773 1.064 0.781
181 HD12 LEU 28 2HD1 LEU 28 -1.059 2.341 -0.203
182 HD13 LEU 28 3HD1 LEU 28 -1.682 0.881 -0.971
183 HD21 LEU 28 3HD2 LEU 28 -4.131 2.119 -2.221
184 HD22 LEU 28 1HD2 LEU 28 -5.015 1.310 -0.927
185 HD23 LEU 28 2HD2 LEU 28 -3.558 0.573 -1.594
186 H ALA 29 H ALA 29 -4.265 5.065 0.771
187 HA ALA 29 HA ALA 29 -2.095 6.004 -0.668
188 HB1 ALA 29 3HB ALA 29 -3.589 7.434 -1.488
189 HB2 ALA 29 1HB ALA 29 -4.758 6.720 -0.376
190 HB3 ALA 29 2HB ALA 29 -3.862 8.165 0.094
191 H ARG 30 H ARG 30 -3.372 7.314 2.396
192 HA ARG 30 HA ARG 30 -1.501 9.306 2.806
193 HB2 ARG 30 1HB ARG 30 -2.178 9.336 5.071
194 HB3 ARG 30 2HB ARG 30 -3.589 8.808 4.165
195 HG2 ARG 30 1HG ARG 30 -3.089 6.482 4.765
196 HG3 ARG 30 2HG ARG 30 -1.703 7.038 5.706
197 HD2 ARG 30 1HD ARG 30 -4.577 7.814 6.191
198 HD3 ARG 30 2HD ARG 30 -3.675 6.611 7.111
199 HE ARG 30 HE ARG 30 -2.312 9.091 7.119
200 HH11 ARG 30 1HH1 ARG 30 -5.073 7.474 8.490
201 HH12 ARG 30 2HH1 ARG 30 -5.081 8.432 9.934
202 HH21 ARG 30 1HH2 ARG 30 -2.312 10.358 9.015
203 HH22 ARG 30 2HH2 ARG 30 -3.510 10.073 10.231
204 H HIS 31 H HIS 31 -1.276 5.862 3.515
205 HA HIS 31 HA HIS 31 1.092 5.917 5.021
206 HB2 HIS 31 1HB HIS 31 0.048 3.871 5.165
207 HB3 HIS 31 2HB HIS 31 -0.373 3.844 3.456
208 HD1 HIS 31 HD1 HIS 31 2.673 3.404 5.676
209 HD2 HIS 31 HD2 HIS 31 1.269 2.312 1.921
210 HE1 HIS 31 HE1 HIS 31 4.379 1.799 4.761
211 H ARG 32 H ARG 32 0.628 5.241 1.550
212 HA ARG 32 HA ARG 32 3.190 4.849 0.734
213 HB2 ARG 32 1HB ARG 32 0.982 6.385 -0.630
214 HB3 ARG 32 2HB ARG 32 2.506 6.008 -1.422
215 HG2 ARG 32 1HG ARG 32 2.068 3.613 -1.076
216 HG3 ARG 32 2HG ARG 32 0.512 4.023 -0.351
217 HD2 ARG 32 1HD ARG 32 0.161 3.415 -2.648
218 HD3 ARG 32 2HD ARG 32 -0.121 5.147 -2.468
219 HE ARG 32 HE ARG 32 2.559 4.629 -3.240
220 HH11 ARG 32 1HH1 ARG 32 -0.697 4.729 -4.466
221 HH12 ARG 32 2HH1 ARG 32 -0.213 5.095 -6.089
222 HH21 ARG 32 1HH2 ARG 32 3.209 5.110 -5.373
223 HH22 ARG 32 2HH2 ARG 32 2.009 5.310 -6.604
224 H GLY 33 H GLY 33 1.856 7.764 1.993
225 HA2 GLY 33 1HA GLY 33 3.499 9.713 0.885
226 HA3 GLY 33 2HA GLY 33 2.814 9.787 2.502
227 H ILE 34 H ILE 34 4.151 7.505 3.562
228 HA ILE 34 HA ILE 34 6.481 8.657 4.544
229 HB ILE 34 HB ILE 34 7.008 6.562 5.535
230 HG12 ILE 34 1HG1 ILE 34 5.091 5.271 3.582
231 HG13 ILE 34 2HG1 ILE 34 6.846 5.214 3.456
232 HG21 ILE 34 1HG2 ILE 34 5.267 6.941 6.863
233 HG22 ILE 34 2HG2 ILE 34 4.306 7.563 5.521
234 HG23 ILE 34 3HG2 ILE 34 4.337 5.831 5.856
235 HD11 ILE 34 3HD1 ILE 34 6.330 3.187 4.420
236 HD12 ILE 34 1HD1 ILE 34 6.740 4.179 5.819
237 HD13 ILE 34 2HD1 ILE 34 5.049 3.870 5.422
238 H HIS 35 H HIS 35 5.963 6.676 1.706
239 HA HIS 35 HA HIS 35 8.773 6.271 1.210
240 HB2 HIS 35 1HB HIS 35 6.403 5.805 -0.612
241 HB3 HIS 35 2HB HIS 35 8.041 5.214 -0.873
242 HD1 HIS 35 HD1 HIS 35 8.856 3.757 1.472
243 HD2 HIS 35 HD2 HIS 35 4.859 3.819 0.339
244 HE1 HIS 35 HE1 HIS 35 7.815 1.747 2.567
245 H THR 36 H THR 36 6.183 8.244 -0.205
246 HA THR 36 HA THR 36 8.258 9.854 -1.547
247 HB THR 36 HB THR 36 6.430 10.560 -3.122
248 HG1 THR 36 HG1 THR 36 4.477 9.928 -2.641
249 HG21 THR 36 3HG2 THR 36 6.418 8.395 -4.385
250 HG22 THR 36 1HG2 THR 36 7.199 7.645 -2.994
251 HG23 THR 36 2HG2 THR 36 8.018 8.934 -3.877
252 H GLY 37 H GLY 37 8.612 11.627 -0.363
253 HA2 GLY 37 1HA GLY 37 6.547 13.550 0.015
254 HA3 GLY 37 2HA GLY 37 6.948 12.762 1.534
255 H GLU 38 H GLU 38 9.136 12.929 2.322
256 HA GLU 38 HA GLU 38 10.497 15.340 1.312
257 HB2 GLU 38 1HB GLU 38 10.258 14.279 4.128
258 HB3 GLU 38 2HB GLU 38 11.374 15.558 3.670
259 HG2 GLU 38 1HG GLU 38 9.673 17.071 3.250
260 HG3 GLU 38 2HG GLU 38 8.458 15.807 3.070
261 H LYS 39 H LYS 39 11.645 13.888 -0.147
262 HA LYS 39 HA LYS 39 13.471 11.962 0.995
263 HB2 LYS 39 1HB LYS 39 14.213 11.630 -1.332
264 HB3 LYS 39 2HB LYS 39 12.467 11.497 -1.171
265 HG2 LYS 39 1HG LYS 39 12.585 14.065 -1.807
266 HG3 LYS 39 2HG LYS 39 14.098 13.548 -2.555
267 HD2 LYS 39 1HD LYS 39 12.881 11.822 -3.803
268 HD3 LYS 39 2HD LYS 39 11.371 12.356 -3.062
269 HE2 LYS 39 1HE LYS 39 13.134 14.193 -4.663
270 HE3 LYS 39 2HE LYS 39 11.863 13.217 -5.399
271 HZ1 LYS 39 3HZ LYS 39 11.304 15.034 -3.135
272 HZ2 LYS 39 1HZ LYS 39 10.215 14.368 -4.246
273 HZ3 LYS 39 2HZ LYS 39 11.284 15.583 -4.735
274 HA PRO 40 HA PRO 40 16.916 14.627 1.597
275 HB2 PRO 40 1HB PRO 40 18.945 12.854 1.267
276 HB3 PRO 40 2HB PRO 40 17.906 12.869 2.697
277 HG2 PRO 40 1HG PRO 40 17.773 11.111 0.277
278 HG3 PRO 40 2HG PRO 40 17.587 10.678 1.987
279 HD2 PRO 40 1HD PRO 40 15.472 11.007 0.329
280 HD3 PRO 40 2HD PRO 40 15.397 11.394 2.060
281 H SER 41 H SER 41 16.030 13.466 -1.357
282 HA SER 41 HA SER 41 18.000 13.509 -3.151
283 HB2 SER 41 1HB SER 41 15.352 14.941 -3.266
284 HB3 SER 41 2HB SER 41 16.453 14.932 -4.644
285 HG SER 41 HG SER 41 16.397 12.599 -4.481
286 H GLY 42 H GLY 42 19.485 14.865 -4.027
287 HA2 GLY 42 1HA GLY 42 20.227 17.102 -4.593
288 HA3 GLY 42 2HA GLY 42 19.470 17.670 -3.112
289 HA PRO 43 HA PRO 43 23.565 15.340 -1.918
290 HB2 PRO 43 1HB PRO 43 25.345 15.038 -3.945
291 HB3 PRO 43 2HB PRO 43 24.137 13.814 -3.537
292 HG2 PRO 43 1HG PRO 43 24.079 15.887 -5.696
293 HG3 PRO 43 2HG PRO 43 23.605 14.180 -5.771
294 HD2 PRO 43 1HD PRO 43 21.801 16.184 -5.520
295 HD3 PRO 43 2HD PRO 43 21.551 14.578 -4.804
296 H SER 44 H SER 44 24.039 17.540 -4.690
297 HA SER 44 HA SER 44 25.411 19.408 -2.897
298 HB2 SER 44 1HB SER 44 26.513 18.259 -5.455
299 HB3 SER 44 2HB SER 44 27.061 19.815 -4.834
300 HG SER 44 HG SER 44 28.418 18.476 -3.857
301 H SER 45 H SER 45 24.302 21.236 -3.000
302 HA SER 45 HA SER 45 23.095 22.016 -5.570
303 HB2 SER 45 1HB SER 45 21.503 23.352 -4.258
304 HB3 SER 45 2HB SER 45 21.465 21.660 -3.760
305 HG SER 45 HG SER 45 22.748 22.213 -1.977
306 H GLY 46 H GLY 46 24.748 23.311 -2.702
307 HA2 GLY 46 1HA GLY 46 25.124 25.908 -3.840
308 HA3 GLY 46 2HA GLY 46 25.892 25.288 -2.386
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.830 -25.353 3.305
2 HA2 GLY 1 1HA GLY 1 8.663 -26.992 3.712
3 HA3 GLY 1 2HA GLY 1 9.785 -27.408 5.000
4 H SER 2 H SER 2 7.132 -25.686 4.440
5 HA SER 2 HA SER 2 7.921 -23.378 6.072
6 HB2 SER 2 1HB SER 2 5.371 -23.845 4.507
7 HB3 SER 2 2HB SER 2 5.806 -22.363 5.357
8 HG SER 2 HG SER 2 6.649 -23.310 2.919
9 H SER 3 H SER 3 5.278 -25.757 5.825
10 HA SER 3 HA SER 3 3.842 -26.602 7.379
11 HB2 SER 3 1HB SER 3 6.448 -26.389 8.834
12 HB3 SER 3 2HB SER 3 5.006 -26.859 9.734
13 HG SER 3 HG SER 3 4.785 -28.407 7.817
14 H GLY 4 H GLY 4 3.490 -23.887 6.914
15 HA2 GLY 4 1HA GLY 4 2.130 -23.128 9.337
16 HA3 GLY 4 2HA GLY 4 3.498 -22.092 8.958
17 H SER 5 H SER 5 0.255 -22.345 8.673
18 HA SER 5 HA SER 5 0.054 -21.141 6.024
19 HB2 SER 5 1HB SER 5 -2.402 -21.288 6.418
20 HB3 SER 5 2HB SER 5 -1.590 -22.847 6.556
21 HG SER 5 HG SER 5 -2.377 -22.954 8.488
22 H SER 6 H SER 6 0.573 -19.044 5.986
23 HA SER 6 HA SER 6 -0.640 -17.292 8.023
24 HB2 SER 6 1HB SER 6 1.926 -17.561 8.037
25 HB3 SER 6 2HB SER 6 1.899 -16.613 6.551
26 HG SER 6 HG SER 6 0.524 -15.126 7.948
27 H GLY 7 H GLY 7 0.469 -17.524 4.661
28 HA2 GLY 7 1HA GLY 7 -0.275 -15.148 3.588
29 HA3 GLY 7 2HA GLY 7 -0.506 -16.673 2.747
30 H THR 8 H THR 8 -2.031 -13.953 3.867
31 HA THR 8 HA THR 8 -4.639 -15.303 4.066
32 HB THR 8 HB THR 8 -4.077 -13.939 6.022
33 HG1 THR 8 HG1 THR 8 -6.100 -12.687 4.449
34 HG21 THR 8 3HG2 THR 8 -3.437 -11.743 5.959
35 HG22 THR 8 1HG2 THR 8 -4.294 -11.421 4.452
36 HG23 THR 8 2HG2 THR 8 -2.756 -12.283 4.425
37 H GLY 9 H GLY 9 -6.493 -14.195 3.085
38 HA2 GLY 9 1HA GLY 9 -6.228 -13.750 0.384
39 HA3 GLY 9 2HA GLY 9 -7.567 -13.142 1.346
40 H GLU 10 H GLU 10 -4.723 -12.351 -0.381
41 HA GLU 10 HA GLU 10 -3.931 -9.930 0.645
42 HB2 GLU 10 1HB GLU 10 -3.967 -11.105 -2.087
43 HB3 GLU 10 2HB GLU 10 -3.649 -9.381 -1.955
44 HG2 GLU 10 1HG GLU 10 -1.524 -10.154 -1.844
45 HG3 GLU 10 2HG GLU 10 -1.928 -10.197 -0.128
46 H LYS 11 H LYS 11 -4.319 -7.734 -0.380
47 HA LYS 11 HA LYS 11 -7.172 -7.355 -0.998
48 HB2 LYS 11 1HB LYS 11 -5.473 -5.751 0.917
49 HB3 LYS 11 2HB LYS 11 -7.047 -5.224 0.335
50 HG2 LYS 11 1HG LYS 11 -6.529 -7.752 1.887
51 HG3 LYS 11 2HG LYS 11 -7.159 -6.247 2.560
52 HD2 LYS 11 1HD LYS 11 -9.068 -6.417 0.961
53 HD3 LYS 11 2HD LYS 11 -8.463 -8.005 0.484
54 HE2 LYS 11 1HE LYS 11 -8.986 -8.960 2.521
55 HE3 LYS 11 2HE LYS 11 -8.953 -7.416 3.371
56 HZ1 LYS 11 3HZ LYS 11 -11.181 -8.725 2.496
57 HZ2 LYS 11 1HZ LYS 11 -10.973 -7.496 1.352
58 HZ3 LYS 11 2HZ LYS 11 -11.107 -7.110 2.993
59 HA PRO 12 HA PRO 12 -5.848 -4.899 -4.390
60 HB2 PRO 12 1HB PRO 12 -7.911 -3.145 -4.585
61 HB3 PRO 12 2HB PRO 12 -8.049 -4.845 -5.048
62 HG2 PRO 12 1HG PRO 12 -8.908 -3.496 -2.517
63 HG3 PRO 12 2HG PRO 12 -9.765 -4.710 -3.484
64 HD2 PRO 12 1HD PRO 12 -8.413 -5.337 -1.223
65 HD3 PRO 12 2HD PRO 12 -8.553 -6.457 -2.593
66 H TYR 13 H TYR 13 -5.897 -3.751 -1.273
67 HA TYR 13 HA TYR 13 -4.881 -1.108 -2.087
68 HB2 TYR 13 1HB TYR 13 -6.077 -1.921 0.570
69 HB3 TYR 13 2HB TYR 13 -5.496 -0.313 0.152
70 HD1 TYR 13 HD2 TYR 13 -8.057 -2.859 -0.696
71 HD2 TYR 13 HD1 TYR 13 -6.896 1.226 -0.952
72 HE1 TYR 13 HE2 TYR 13 -10.288 -2.285 -1.557
73 HE2 TYR 13 HE1 TYR 13 -9.124 1.812 -1.813
74 HH TYR 13 HH TYR 13 -11.581 -0.682 -2.398
75 H LYS 14 H LYS 14 -3.287 -3.467 -2.122
76 HA LYS 14 HA LYS 14 -1.607 -3.321 0.252
77 HB2 LYS 14 1HB LYS 14 -1.880 -5.538 -0.428
78 HB3 LYS 14 2HB LYS 14 -1.737 -5.135 -2.134
79 HG2 LYS 14 1HG LYS 14 0.608 -4.871 -1.970
80 HG3 LYS 14 2HG LYS 14 0.558 -4.908 -0.206
81 HD2 LYS 14 1HD LYS 14 -0.181 -7.240 -0.277
82 HD3 LYS 14 2HD LYS 14 -0.140 -7.202 -2.041
83 HE2 LYS 14 1HE LYS 14 2.236 -6.870 -2.036
84 HE3 LYS 14 2HE LYS 14 2.251 -6.675 -0.284
85 HZ1 LYS 14 3HZ LYS 14 2.835 -8.956 -1.444
86 HZ2 LYS 14 1HZ LYS 14 1.159 -9.166 -1.343
87 HZ3 LYS 14 2HZ LYS 14 2.063 -8.892 0.060
88 H CYS 15 H CYS 15 0.066 -1.990 0.383
89 HA CYS 15 HA CYS 15 0.891 -0.309 -1.712
90 HB2 CYS 15 1HB CYS 15 1.181 0.232 0.681
91 HB3 CYS 15 2HB CYS 15 2.394 -1.037 0.812
92 H ASN 16 H ASN 16 2.116 -0.719 -3.419
93 HA ASN 16 HA ASN 16 3.570 -3.206 -3.617
94 HB2 ASN 16 1HB ASN 16 2.978 -0.952 -5.517
95 HB3 ASN 16 2HB ASN 16 4.166 -2.186 -5.928
96 HD21 ASN 16 1HD2 ASN 16 0.804 -1.564 -5.230
97 HD22 ASN 16 2HD2 ASN 16 0.188 -3.019 -5.929
98 H GLU 17 H GLU 17 4.265 0.119 -2.956
99 HA GLU 17 HA GLU 17 6.966 0.238 -3.675
100 HB2 GLU 17 1HB GLU 17 5.213 1.724 -1.786
101 HB3 GLU 17 2HB GLU 17 6.951 1.906 -1.589
102 HG2 GLU 17 1HG GLU 17 7.210 2.974 -3.598
103 HG3 GLU 17 2HG GLU 17 5.769 2.240 -4.298
104 H CYS 18 H CYS 18 5.444 -0.727 -0.617
105 HA CYS 18 HA CYS 18 8.036 -1.845 0.228
106 HB2 CYS 18 1HB CYS 18 7.282 -1.577 2.539
107 HB3 CYS 18 2HB CYS 18 7.237 -0.035 1.691
108 H GLY 19 H GLY 19 4.519 -2.355 0.363
109 HA2 GLY 19 1HA GLY 19 3.824 -4.624 -0.429
110 HA3 GLY 19 2HA GLY 19 5.061 -5.247 0.653
111 H LYS 20 H LYS 20 3.285 -2.517 1.742
112 HA LYS 20 HA LYS 20 2.188 -4.034 3.924
113 HB2 LYS 20 1HB LYS 20 3.061 -1.540 3.826
114 HB3 LYS 20 2HB LYS 20 1.390 -1.205 3.390
115 HG2 LYS 20 1HG LYS 20 0.588 -1.785 5.450
116 HG3 LYS 20 2HG LYS 20 1.920 -2.896 5.778
117 HD2 LYS 20 1HD LYS 20 3.413 -1.090 6.228
118 HD3 LYS 20 2HD LYS 20 2.246 0.098 5.642
119 HE2 LYS 20 1HE LYS 20 1.969 0.289 7.916
120 HE3 LYS 20 2HE LYS 20 0.730 -0.903 7.523
121 HZ1 LYS 20 3HZ LYS 20 1.802 -1.831 9.328
122 HZ2 LYS 20 1HZ LYS 20 3.335 -1.310 8.838
123 HZ3 LYS 20 2HZ LYS 20 2.581 -2.592 8.033
124 H VAL 21 H VAL 21 -0.165 -3.591 4.562
125 HA VAL 21 HA VAL 21 -1.921 -3.605 2.205
126 HB VAL 21 HB VAL 21 -2.033 -5.586 4.483
127 HG11 VAL 21 1HG1 VAL 21 -4.275 -5.090 3.984
128 HG12 VAL 21 2HG1 VAL 21 -3.956 -5.000 2.250
129 HG13 VAL 21 3HG1 VAL 21 -3.918 -6.559 3.075
130 HG21 VAL 21 3HG2 VAL 21 -1.432 -5.891 1.545
131 HG22 VAL 21 1HG2 VAL 21 -0.351 -6.211 2.902
132 HG23 VAL 21 2HG2 VAL 21 -1.757 -7.242 2.631
133 H PHE 22 H PHE 22 -4.120 -3.028 2.632
134 HA PHE 22 HA PHE 22 -4.749 -1.954 5.261
135 HB2 PHE 22 1HB PHE 22 -4.775 -0.227 2.776
136 HB3 PHE 22 2HB PHE 22 -5.387 0.250 4.356
137 HD1 PHE 22 HD1 PHE 22 -3.874 0.762 6.177
138 HD2 PHE 22 HD2 PHE 22 -2.408 -0.352 2.339
139 HE1 PHE 22 HE1 PHE 22 -1.640 1.589 6.794
140 HE2 PHE 22 HE2 PHE 22 -0.172 0.472 2.950
141 HZ PHE 22 HZ PHE 22 0.215 1.443 5.180
142 H THR 23 H THR 23 -7.051 -0.723 4.904
143 HA THR 23 HA THR 23 -8.729 -2.648 3.430
144 HB THR 23 HB THR 23 -9.473 -1.171 5.962
145 HG1 THR 23 HG1 THR 23 -9.307 -3.293 6.892
146 HG21 THR 23 3HG2 THR 23 -11.172 -2.090 4.073
147 HG22 THR 23 1HG2 THR 23 -11.555 -2.041 5.793
148 HG23 THR 23 2HG2 THR 23 -10.983 -3.539 5.059
149 H GLN 24 H GLN 24 -8.434 0.705 4.532
150 HA GLN 24 HA GLN 24 -10.398 1.491 2.487
151 HB2 GLN 24 1HB GLN 24 -10.939 2.120 4.826
152 HB3 GLN 24 2HB GLN 24 -9.455 3.062 4.892
153 HG2 GLN 24 1HG GLN 24 -11.210 4.583 4.488
154 HG3 GLN 24 2HG GLN 24 -10.336 4.405 2.968
155 HE21 GLN 24 1HE2 GLN 24 -13.038 5.317 3.375
156 HE22 GLN 24 2HE2 GLN 24 -14.066 4.233 2.509
157 H ASN 25 H ASN 25 -9.808 2.772 0.836
158 HA ASN 25 HA ASN 25 -7.323 3.021 -0.144
159 HB2 ASN 25 1HB ASN 25 -9.013 3.792 -1.558
160 HB3 ASN 25 2HB ASN 25 -9.669 4.883 -0.341
161 HD21 ASN 25 1HD2 ASN 25 -7.531 4.520 -2.958
162 HD22 ASN 25 2HD2 ASN 25 -6.872 6.118 -2.947
163 H SER 26 H SER 26 -8.825 5.683 1.702
164 HA SER 26 HA SER 26 -6.714 7.375 1.945
165 HB2 SER 26 1HB SER 26 -8.549 6.720 4.258
166 HB3 SER 26 2HB SER 26 -7.723 8.247 3.947
167 HG SER 26 HG SER 26 -9.007 8.450 2.054
168 H HIS 27 H HIS 27 -7.461 4.832 4.335
169 HA HIS 27 HA HIS 27 -5.333 5.053 6.008
170 HB2 HIS 27 1HB HIS 27 -6.480 2.451 4.974
171 HB3 HIS 27 2HB HIS 27 -5.539 2.642 6.449
172 HD1 HIS 27 HD1 HIS 27 -8.198 1.447 6.876
173 HD2 HIS 27 HD2 HIS 27 -7.662 5.565 6.748
174 HE1 HIS 27 HE1 HIS 27 -10.168 2.419 8.099
175 H LEU 28 H LEU 28 -5.327 3.723 2.767
176 HA LEU 28 HA LEU 28 -2.609 2.761 2.974
177 HB2 LEU 28 1HB LEU 28 -3.785 1.424 1.537
178 HB3 LEU 28 2HB LEU 28 -4.731 2.764 0.894
179 HG LEU 28 HG LEU 28 -2.822 3.480 -0.448
180 HD11 LEU 28 1HD1 LEU 28 -0.996 2.800 0.951
181 HD12 LEU 28 2HD1 LEU 28 -0.842 1.996 -0.610
182 HD13 LEU 28 3HD1 LEU 28 -1.443 1.102 0.786
183 HD21 LEU 28 3HD2 LEU 28 -3.291 0.532 -0.847
184 HD22 LEU 28 1HD2 LEU 28 -2.897 1.742 -2.068
185 HD23 LEU 28 2HD2 LEU 28 -4.470 1.774 -1.272
186 H ALA 29 H ALA 29 -4.241 5.186 0.926
187 HA ALA 29 HA ALA 29 -2.116 6.339 -0.312
188 HB1 ALA 29 3HB ALA 29 -4.262 8.068 0.869
189 HB2 ALA 29 1HB ALA 29 -3.427 8.235 -0.675
190 HB3 ALA 29 2HB ALA 29 -4.605 6.942 -0.444
191 H ARG 30 H ARG 30 -3.354 7.299 2.891
192 HA ARG 30 HA ARG 30 -1.511 9.279 3.472
193 HB2 ARG 30 1HB ARG 30 -2.029 8.888 5.823
194 HB3 ARG 30 2HB ARG 30 -3.491 8.808 4.849
195 HG2 ARG 30 1HG ARG 30 -3.306 6.331 4.878
196 HG3 ARG 30 2HG ARG 30 -1.946 6.493 5.991
197 HD2 ARG 30 1HD ARG 30 -3.953 6.054 7.249
198 HD3 ARG 30 2HD ARG 30 -3.424 7.708 7.557
199 HE ARG 30 HE ARG 30 -5.332 7.571 5.443
200 HH11 ARG 30 1HH1 ARG 30 -4.980 7.557 8.906
201 HH12 ARG 30 2HH1 ARG 30 -6.568 8.186 9.201
202 HH21 ARG 30 1HH2 ARG 30 -7.425 8.399 5.818
203 HH22 ARG 30 2HH2 ARG 30 -7.958 8.663 7.443
204 H HIS 31 H HIS 31 -1.228 5.783 3.864
205 HA HIS 31 HA HIS 31 1.234 5.806 5.257
206 HB2 HIS 31 1HB HIS 31 0.140 3.775 5.442
207 HB3 HIS 31 2HB HIS 31 -0.324 3.751 3.743
208 HD1 HIS 31 HD1 HIS 31 2.867 3.446 5.796
209 HD2 HIS 31 HD2 HIS 31 1.185 2.073 2.254
210 HE1 HIS 31 HE1 HIS 31 4.523 1.802 4.859
211 H ARG 32 H ARG 32 0.471 5.310 1.816
212 HA ARG 32 HA ARG 32 3.002 4.895 0.824
213 HB2 ARG 32 1HB ARG 32 0.712 6.423 -0.421
214 HB3 ARG 32 2HB ARG 32 2.154 5.926 -1.296
215 HG2 ARG 32 1HG ARG 32 1.600 3.560 -0.652
216 HG3 ARG 32 2HG ARG 32 0.052 4.170 -0.062
217 HD2 ARG 32 1HD ARG 32 0.896 4.907 -2.815
218 HD3 ARG 32 2HD ARG 32 0.352 3.255 -2.530
219 HE ARG 32 HE ARG 32 -1.556 4.876 -1.388
220 HH11 ARG 32 1HH1 ARG 32 -0.198 4.420 -4.561
221 HH12 ARG 32 2HH1 ARG 32 -1.648 4.882 -5.390
222 HH21 ARG 32 1HH2 ARG 32 -3.470 5.487 -2.468
223 HH22 ARG 32 2HH2 ARG 32 -3.508 5.490 -4.199
224 H GLY 33 H GLY 33 1.735 7.743 2.240
225 HA2 GLY 33 1HA GLY 33 3.214 9.747 0.977
226 HA3 GLY 33 2HA GLY 33 2.653 9.807 2.641
227 H ILE 34 H ILE 34 4.245 7.286 3.177
228 HA ILE 34 HA ILE 34 6.592 8.589 4.122
229 HB ILE 34 HB ILE 34 7.251 6.490 5.030
230 HG12 ILE 34 1HG1 ILE 34 5.140 5.180 3.303
231 HG13 ILE 34 2HG1 ILE 34 6.864 5.172 2.946
232 HG21 ILE 34 1HG2 ILE 34 4.322 7.069 5.120
233 HG22 ILE 34 2HG2 ILE 34 4.968 5.669 5.975
234 HG23 ILE 34 3HG2 ILE 34 5.549 7.287 6.368
235 HD11 ILE 34 3HD1 ILE 34 7.063 4.131 5.323
236 HD12 ILE 34 1HD1 ILE 34 5.363 3.733 5.075
237 HD13 ILE 34 2HD1 ILE 34 6.583 3.133 3.951
238 H HIS 35 H HIS 35 5.823 6.688 1.300
239 HA HIS 35 HA HIS 35 8.615 6.422 0.537
240 HB2 HIS 35 1HB HIS 35 6.171 5.655 -1.065
241 HB3 HIS 35 2HB HIS 35 7.824 5.098 -1.307
242 HD1 HIS 35 HD1 HIS 35 8.786 3.724 0.918
243 HD2 HIS 35 HD2 HIS 35 4.675 3.908 0.348
244 HE1 HIS 35 HE1 HIS 35 7.832 1.844 2.290
245 H THR 36 H THR 36 5.841 8.393 -0.193
246 HA THR 36 HA THR 36 7.202 9.644 -2.458
247 HB THR 36 HB THR 36 5.084 10.886 -2.785
248 HG1 THR 36 HG1 THR 36 3.808 9.219 -0.920
249 HG21 THR 36 3HG2 THR 36 3.940 9.122 -3.779
250 HG22 THR 36 1HG2 THR 36 4.368 7.990 -2.497
251 HG23 THR 36 2HG2 THR 36 5.586 8.497 -3.668
252 H GLY 37 H GLY 37 7.717 11.835 -2.535
253 HA2 GLY 37 1HA GLY 37 7.203 13.969 -1.098
254 HA3 GLY 37 2HA GLY 37 8.106 13.054 0.100
255 H GLU 38 H GLU 38 10.318 12.875 -0.072
256 HA GLU 38 HA GLU 38 11.627 14.074 -2.394
257 HB2 GLU 38 1HB GLU 38 11.379 15.921 -0.824
258 HB3 GLU 38 2HB GLU 38 12.108 14.960 0.455
259 HG2 GLU 38 1HG GLU 38 13.727 16.510 -0.381
260 HG3 GLU 38 2HG GLU 38 14.202 14.877 -0.846
261 H LYS 39 H LYS 39 12.883 12.472 -3.081
262 HA LYS 39 HA LYS 39 13.742 10.242 -1.782
263 HB2 LYS 39 1HB LYS 39 15.507 10.047 -3.444
264 HB3 LYS 39 2HB LYS 39 14.031 10.638 -4.197
265 HG2 LYS 39 1HG LYS 39 14.906 12.896 -4.209
266 HG3 LYS 39 2HG LYS 39 16.365 12.356 -3.375
267 HD2 LYS 39 1HD LYS 39 16.915 10.916 -5.279
268 HD3 LYS 39 2HD LYS 39 15.456 11.460 -6.111
269 HE2 LYS 39 1HE LYS 39 16.298 13.601 -6.445
270 HE3 LYS 39 2HE LYS 39 17.491 13.438 -5.158
271 HZ1 LYS 39 3HZ LYS 39 17.594 12.469 -7.920
272 HZ2 LYS 39 1HZ LYS 39 18.388 11.567 -6.730
273 HZ3 LYS 39 2HZ LYS 39 18.806 13.186 -6.984
274 HA PRO 40 HA PRO 40 16.705 11.406 1.250
275 HB2 PRO 40 1HB PRO 40 18.199 9.141 1.344
276 HB3 PRO 40 2HB PRO 40 16.567 9.244 2.015
277 HG2 PRO 40 1HG PRO 40 17.469 8.119 -0.609
278 HG3 PRO 40 2HG PRO 40 16.288 7.466 0.542
279 HD2 PRO 40 1HD PRO 40 15.555 8.800 -1.698
280 HD3 PRO 40 2HD PRO 40 14.608 8.860 -0.197
281 H SER 41 H SER 41 18.013 13.012 0.497
282 HA SER 41 HA SER 41 20.010 12.477 -1.530
283 HB2 SER 41 1HB SER 41 18.884 14.618 -1.617
284 HB3 SER 41 2HB SER 41 19.350 14.976 0.045
285 HG SER 41 HG SER 41 20.854 15.076 -2.291
286 H GLY 42 H GLY 42 21.688 11.281 -0.839
287 HA2 GLY 42 1HA GLY 42 23.719 12.330 0.719
288 HA3 GLY 42 2HA GLY 42 22.723 11.381 1.812
289 HA PRO 43 HA PRO 43 25.927 8.676 -0.299
290 HB2 PRO 43 1HB PRO 43 27.145 7.838 1.978
291 HB3 PRO 43 2HB PRO 43 27.636 9.295 1.107
292 HG2 PRO 43 1HG PRO 43 25.907 9.033 3.537
293 HG3 PRO 43 2HG PRO 43 27.196 10.204 3.201
294 HD2 PRO 43 1HD PRO 43 24.571 10.809 2.927
295 HD3 PRO 43 2HD PRO 43 25.829 11.526 1.900
296 H SER 44 H SER 44 23.998 7.429 -0.767
297 HA SER 44 HA SER 44 23.569 5.265 1.186
298 HB2 SER 44 1HB SER 44 21.585 6.697 1.104
299 HB3 SER 44 2HB SER 44 21.508 6.515 -0.648
300 HG SER 44 HG SER 44 20.626 4.616 -0.408
301 H SER 45 H SER 45 25.146 3.999 0.131
302 HA SER 45 HA SER 45 25.009 3.417 -2.658
303 HB2 SER 45 1HB SER 45 26.506 2.166 -0.356
304 HB3 SER 45 2HB SER 45 26.609 1.531 -1.998
305 HG SER 45 HG SER 45 27.333 4.123 -1.103
306 H GLY 46 H GLY 46 24.098 1.716 -3.721
307 HA2 GLY 46 1HA GLY 46 22.127 0.174 -2.201
308 HA3 GLY 46 2HA GLY 46 22.170 0.365 -3.948
Start of MODEL 6
1 H1 GLY 1 H GLY 1 10.265 -24.547 20.107
2 HA2 GLY 1 1HA GLY 1 10.153 -23.401 18.089
3 HA3 GLY 1 2HA GLY 1 10.277 -24.937 17.244
4 H SER 2 H SER 2 8.383 -22.434 17.326
5 HA SER 2 HA SER 2 5.856 -23.936 17.445
6 HB2 SER 2 1HB SER 2 4.756 -21.734 17.634
7 HB3 SER 2 2HB SER 2 5.938 -21.980 18.919
8 HG SER 2 HG SER 2 7.420 -20.761 17.573
9 H SER 3 H SER 3 4.224 -23.426 15.817
10 HA SER 3 HA SER 3 5.254 -23.636 13.199
11 HB2 SER 3 1HB SER 3 2.982 -23.693 12.466
12 HB3 SER 3 2HB SER 3 3.019 -24.504 14.032
13 HG SER 3 HG SER 3 1.292 -22.976 13.817
14 H GLY 4 H GLY 4 5.520 -22.175 11.579
15 HA2 GLY 4 1HA GLY 4 5.833 -19.434 12.289
16 HA3 GLY 4 2HA GLY 4 6.002 -20.113 10.678
17 H SER 5 H SER 5 4.818 -18.802 9.424
18 HA SER 5 HA SER 5 1.988 -18.435 10.158
19 HB2 SER 5 1HB SER 5 1.998 -16.204 9.382
20 HB3 SER 5 2HB SER 5 3.483 -16.349 10.322
21 HG SER 5 HG SER 5 3.373 -15.461 7.948
22 H SER 6 H SER 6 0.543 -18.093 8.314
23 HA SER 6 HA SER 6 1.514 -19.493 5.908
24 HB2 SER 6 1HB SER 6 -1.308 -19.482 7.005
25 HB3 SER 6 2HB SER 6 -0.726 -20.399 5.616
26 HG SER 6 HG SER 6 -0.339 -21.892 7.041
27 H GLY 7 H GLY 7 2.119 -17.487 4.951
28 HA2 GLY 7 1HA GLY 7 0.483 -15.251 4.646
29 HA3 GLY 7 2HA GLY 7 1.771 -15.710 3.542
30 H THR 8 H THR 8 -1.648 -15.854 4.190
31 HA THR 8 HA THR 8 -2.110 -16.472 1.367
32 HB THR 8 HB THR 8 -3.616 -17.882 3.576
33 HG1 THR 8 HG1 THR 8 -1.309 -18.514 3.119
34 HG21 THR 8 3HG2 THR 8 -5.112 -17.971 1.868
35 HG22 THR 8 1HG2 THR 8 -4.090 -19.314 1.360
36 HG23 THR 8 2HG2 THR 8 -3.881 -17.722 0.631
37 H GLY 9 H GLY 9 -3.493 -15.064 0.512
38 HA2 GLY 9 1HA GLY 9 -5.533 -13.884 0.389
39 HA3 GLY 9 2HA GLY 9 -5.699 -14.034 2.132
40 H GLU 10 H GLU 10 -5.818 -11.699 0.226
41 HA GLU 10 HA GLU 10 -4.548 -9.814 1.930
42 HB2 GLU 10 1HB GLU 10 -2.891 -8.916 0.440
43 HB3 GLU 10 2HB GLU 10 -2.583 -10.636 0.633
44 HG2 GLU 10 1HG GLU 10 -3.666 -11.070 -1.515
45 HG3 GLU 10 2HG GLU 10 -3.961 -9.343 -1.710
46 H LYS 11 H LYS 11 -5.415 -7.806 1.688
47 HA LYS 11 HA LYS 11 -7.753 -7.552 0.089
48 HB2 LYS 11 1HB LYS 11 -6.259 -5.818 1.993
49 HB3 LYS 11 2HB LYS 11 -7.369 -5.031 0.878
50 HG2 LYS 11 1HG LYS 11 -8.695 -5.403 2.725
51 HG3 LYS 11 2HG LYS 11 -9.071 -6.795 1.707
52 HD2 LYS 11 1HD LYS 11 -7.150 -7.947 3.025
53 HD3 LYS 11 2HD LYS 11 -7.421 -6.659 4.202
54 HE2 LYS 11 1HE LYS 11 -9.733 -8.251 3.175
55 HE3 LYS 11 2HE LYS 11 -8.690 -8.928 4.425
56 HZ1 LYS 11 3HZ LYS 11 -9.660 -6.209 4.841
57 HZ2 LYS 11 1HZ LYS 11 -9.418 -7.456 5.959
58 HZ3 LYS 11 2HZ LYS 11 -10.799 -7.453 4.982
59 HA PRO 12 HA PRO 12 -6.205 -5.849 -3.649
60 HB2 PRO 12 1HB PRO 12 -8.210 -4.148 -4.325
61 HB3 PRO 12 2HB PRO 12 -8.365 -5.906 -4.431
62 HG2 PRO 12 1HG PRO 12 -9.326 -4.045 -2.292
63 HG3 PRO 12 2HG PRO 12 -10.159 -5.424 -3.032
64 HD2 PRO 12 1HD PRO 12 -8.948 -5.580 -0.616
65 HD3 PRO 12 2HD PRO 12 -9.041 -6.961 -1.728
66 H TYR 13 H TYR 13 -6.281 -4.127 -0.847
67 HA TYR 13 HA TYR 13 -5.323 -1.650 -2.118
68 HB2 TYR 13 1HB TYR 13 -6.593 -2.178 0.560
69 HB3 TYR 13 2HB TYR 13 -5.688 -0.701 0.246
70 HD1 TYR 13 HD2 TYR 13 -8.002 -2.578 -1.991
71 HD2 TYR 13 HD1 TYR 13 -7.290 0.989 0.216
72 HE1 TYR 13 HE2 TYR 13 -10.009 -1.566 -2.990
73 HE2 TYR 13 HE1 TYR 13 -9.296 2.011 -0.775
74 HH TYR 13 HH TYR 13 -11.302 0.230 -3.107
75 H LYS 14 H LYS 14 -3.455 -3.474 -2.268
76 HA LYS 14 HA LYS 14 -1.743 -3.280 0.101
77 HB2 LYS 14 1HB LYS 14 -1.877 -5.511 -0.651
78 HB3 LYS 14 2HB LYS 14 -1.711 -5.042 -2.338
79 HG2 LYS 14 1HG LYS 14 0.570 -4.768 -2.178
80 HG3 LYS 14 2HG LYS 14 0.522 -4.508 -0.433
81 HD2 LYS 14 1HD LYS 14 0.221 -6.800 0.006
82 HD3 LYS 14 2HD LYS 14 -0.214 -7.148 -1.669
83 HE2 LYS 14 1HE LYS 14 2.047 -6.720 -2.390
84 HE3 LYS 14 2HE LYS 14 2.505 -6.203 -0.768
85 HZ1 LYS 14 3HZ LYS 14 3.117 -8.549 -1.439
86 HZ2 LYS 14 1HZ LYS 14 1.471 -8.921 -1.310
87 HZ3 LYS 14 2HZ LYS 14 2.323 -8.374 0.045
88 H CYS 15 H CYS 15 0.164 -2.201 0.121
89 HA CYS 15 HA CYS 15 0.608 -0.230 -1.904
90 HB2 CYS 15 1HB CYS 15 1.105 0.391 0.347
91 HB3 CYS 15 2HB CYS 15 2.143 -1.013 0.575
92 H ASN 16 H ASN 16 2.582 0.054 -3.109
93 HA ASN 16 HA ASN 16 3.719 -2.520 -3.948
94 HB2 ASN 16 1HB ASN 16 2.781 -1.472 -5.828
95 HB3 ASN 16 2HB ASN 16 3.357 0.120 -5.342
96 HD21 ASN 16 1HD2 ASN 16 3.801 -2.264 -7.502
97 HD22 ASN 16 2HD2 ASN 16 5.459 -2.003 -7.910
98 H GLU 17 H GLU 17 4.544 0.666 -2.756
99 HA GLU 17 HA GLU 17 7.278 0.714 -3.206
100 HB2 GLU 17 1HB GLU 17 5.646 1.815 -0.920
101 HB3 GLU 17 2HB GLU 17 7.364 2.135 -1.106
102 HG2 GLU 17 1HG GLU 17 6.201 3.989 -2.001
103 HG3 GLU 17 2HG GLU 17 6.863 3.084 -3.360
104 H CYS 18 H CYS 18 5.682 -0.314 -0.183
105 HA CYS 18 HA CYS 18 8.080 -1.885 0.460
106 HB2 CYS 18 1HB CYS 18 7.245 -1.886 2.772
107 HB3 CYS 18 2HB CYS 18 7.420 -0.247 2.155
108 H GLY 19 H GLY 19 4.528 -2.096 0.466
109 HA2 GLY 19 1HA GLY 19 3.596 -4.121 -0.609
110 HA3 GLY 19 2HA GLY 19 4.821 -5.031 0.263
111 H LYS 20 H LYS 20 2.948 -2.382 1.615
112 HA LYS 20 HA LYS 20 2.047 -4.111 3.753
113 HB2 LYS 20 1HB LYS 20 2.829 -1.597 3.852
114 HB3 LYS 20 2HB LYS 20 1.145 -1.274 3.459
115 HG2 LYS 20 1HG LYS 20 0.380 -2.048 5.472
116 HG3 LYS 20 2HG LYS 20 1.758 -3.127 5.705
117 HD2 LYS 20 1HD LYS 20 3.178 -1.327 6.313
118 HD3 LYS 20 2HD LYS 20 2.002 -0.127 5.771
119 HE2 LYS 20 1HE LYS 20 2.014 -0.275 8.196
120 HE3 LYS 20 2HE LYS 20 0.472 -0.836 7.551
121 HZ1 LYS 20 3HZ LYS 20 2.379 -2.952 7.839
122 HZ2 LYS 20 1HZ LYS 20 0.788 -2.849 8.407
123 HZ3 LYS 20 2HZ LYS 20 2.053 -2.182 9.310
124 H VAL 21 H VAL 21 -0.278 -3.910 4.488
125 HA VAL 21 HA VAL 21 -2.095 -3.874 2.168
126 HB VAL 21 HB VAL 21 -2.137 -5.814 4.483
127 HG11 VAL 21 1HG1 VAL 21 -4.010 -5.728 2.126
128 HG12 VAL 21 2HG1 VAL 21 -4.108 -6.767 3.548
129 HG13 VAL 21 3HG1 VAL 21 -4.391 -5.033 3.701
130 HG21 VAL 21 3HG2 VAL 21 -0.448 -6.354 2.820
131 HG22 VAL 21 1HG2 VAL 21 -1.778 -7.510 2.741
132 HG23 VAL 21 2HG2 VAL 21 -1.648 -6.231 1.534
133 H PHE 22 H PHE 22 -4.115 -3.000 2.470
134 HA PHE 22 HA PHE 22 -4.848 -2.062 5.140
135 HB2 PHE 22 1HB PHE 22 -4.948 -0.200 2.769
136 HB3 PHE 22 2HB PHE 22 -5.197 0.195 4.466
137 HD1 PHE 22 HD2 PHE 22 -2.685 -0.703 1.932
138 HD2 PHE 22 HD1 PHE 22 -3.368 0.647 5.911
139 HE1 PHE 22 HE2 PHE 22 -0.304 -0.121 2.140
140 HE2 PHE 22 HE1 PHE 22 -0.988 1.232 6.125
141 HZ PHE 22 HZ PHE 22 0.548 0.847 4.238
142 H THR 23 H THR 23 -7.109 -1.043 5.061
143 HA THR 23 HA THR 23 -8.789 -2.717 3.315
144 HB THR 23 HB THR 23 -9.108 -3.184 5.689
145 HG1 THR 23 HG1 THR 23 -10.960 -2.795 4.007
146 HG21 THR 23 3HG2 THR 23 -9.917 -0.284 5.928
147 HG22 THR 23 1HG2 THR 23 -8.435 -0.989 6.570
148 HG23 THR 23 2HG2 THR 23 -10.000 -1.495 7.207
149 H GLN 24 H GLN 24 -8.195 0.542 4.440
150 HA GLN 24 HA GLN 24 -10.227 1.518 2.542
151 HB2 GLN 24 1HB GLN 24 -11.036 2.269 4.577
152 HB3 GLN 24 2HB GLN 24 -9.428 2.482 5.257
153 HG2 GLN 24 1HG GLN 24 -9.091 4.498 4.081
154 HG3 GLN 24 2HG GLN 24 -10.496 4.218 3.054
155 HE21 GLN 24 1HE2 GLN 24 -12.554 3.818 4.481
156 HE22 GLN 24 2HE2 GLN 24 -12.823 5.021 5.690
157 H ASN 25 H ASN 25 -9.614 2.944 1.009
158 HA ASN 25 HA ASN 25 -7.014 3.167 0.162
159 HB2 ASN 25 1HB ASN 25 -8.634 3.788 -1.407
160 HB3 ASN 25 2HB ASN 25 -9.429 4.894 -0.290
161 HD21 ASN 25 1HD2 ASN 25 -7.495 4.707 -2.936
162 HD22 ASN 25 2HD2 ASN 25 -6.752 6.265 -2.862
163 H SER 26 H SER 26 -8.826 5.667 1.949
164 HA SER 26 HA SER 26 -6.954 7.599 2.249
165 HB2 SER 26 1HB SER 26 -9.281 7.605 3.211
166 HB3 SER 26 2HB SER 26 -8.666 6.636 4.549
167 HG SER 26 HG SER 26 -8.226 8.518 5.381
168 H HIS 27 H HIS 27 -7.216 4.682 4.260
169 HA HIS 27 HA HIS 27 -5.013 5.269 5.926
170 HB2 HIS 27 1HB HIS 27 -5.971 2.492 5.241
171 HB3 HIS 27 2HB HIS 27 -5.208 3.040 6.731
172 HD1 HIS 27 HD1 HIS 27 -7.772 1.587 7.087
173 HD2 HIS 27 HD2 HIS 27 -7.640 5.684 6.413
174 HE1 HIS 27 HE1 HIS 27 -9.944 2.486 7.981
175 H LEU 28 H LEU 28 -5.297 3.680 2.815
176 HA LEU 28 HA LEU 28 -2.592 2.712 2.802
177 HB2 LEU 28 1HB LEU 28 -4.032 1.428 1.510
178 HB3 LEU 28 2HB LEU 28 -4.811 2.841 0.802
179 HG LEU 28 HG LEU 28 -2.751 3.256 -0.517
180 HD11 LEU 28 1HD1 LEU 28 -1.850 0.505 0.249
181 HD12 LEU 28 2HD1 LEU 28 -1.330 1.921 1.163
182 HD13 LEU 28 3HD1 LEU 28 -0.949 1.791 -0.554
183 HD21 LEU 28 3HD2 LEU 28 -3.486 0.466 -1.172
184 HD22 LEU 28 1HD2 LEU 28 -3.447 1.902 -2.195
185 HD23 LEU 28 2HD2 LEU 28 -4.799 1.642 -1.093
186 H ALA 29 H ALA 29 -4.242 5.036 0.654
187 HA ALA 29 HA ALA 29 -2.148 6.138 -0.644
188 HB1 ALA 29 3HB ALA 29 -4.810 6.943 -0.046
189 HB2 ALA 29 1HB ALA 29 -3.750 8.343 0.120
190 HB3 ALA 29 2HB ALA 29 -3.783 7.435 -1.392
191 H ARG 30 H ARG 30 -3.314 7.271 2.530
192 HA ARG 30 HA ARG 30 -1.413 9.244 2.966
193 HB2 ARG 30 1HB ARG 30 -2.096 9.255 5.200
194 HB3 ARG 30 2HB ARG 30 -3.501 8.632 4.346
195 HG2 ARG 30 1HG ARG 30 -2.968 6.382 5.001
196 HG3 ARG 30 2HG ARG 30 -1.454 6.917 5.732
197 HD2 ARG 30 1HD ARG 30 -4.143 7.935 6.616
198 HD3 ARG 30 2HD ARG 30 -3.388 6.503 7.315
199 HE ARG 30 HE ARG 30 -1.759 8.894 7.328
200 HH11 ARG 30 1HH1 ARG 30 -4.033 6.905 9.057
201 HH12 ARG 30 2HH1 ARG 30 -3.582 7.516 10.614
202 HH21 ARG 30 1HH2 ARG 30 -1.157 9.707 9.372
203 HH22 ARG 30 2HH2 ARG 30 -1.947 9.110 10.792
204 H HIS 31 H HIS 31 -1.269 5.786 3.723
205 HA HIS 31 HA HIS 31 1.164 5.774 5.094
206 HB2 HIS 31 1HB HIS 31 0.099 3.750 5.288
207 HB3 HIS 31 2HB HIS 31 -0.432 3.747 3.609
208 HD1 HIS 31 HD1 HIS 31 2.597 3.000 5.726
209 HD2 HIS 31 HD2 HIS 31 1.204 2.387 1.860
210 HE1 HIS 31 HE1 HIS 31 4.230 1.406 4.668
211 H ARG 32 H ARG 32 0.550 5.118 1.643
212 HA ARG 32 HA ARG 32 3.080 4.664 0.742
213 HB2 ARG 32 1HB ARG 32 1.027 6.384 -0.663
214 HB3 ARG 32 2HB ARG 32 2.374 5.545 -1.423
215 HG2 ARG 32 1HG ARG 32 1.372 3.395 -0.644
216 HG3 ARG 32 2HG ARG 32 -0.035 4.315 -0.108
217 HD2 ARG 32 1HD ARG 32 1.029 4.182 -2.928
218 HD3 ARG 32 2HD ARG 32 -0.395 3.338 -2.320
219 HE ARG 32 HE ARG 32 -0.656 6.106 -1.856
220 HH11 ARG 32 1HH1 ARG 32 -0.704 3.772 -4.439
221 HH12 ARG 32 2HH1 ARG 32 -1.763 4.708 -5.441
222 HH21 ARG 32 1HH2 ARG 32 -2.051 7.348 -3.166
223 HH22 ARG 32 2HH2 ARG 32 -2.528 6.742 -4.716
224 H GLY 33 H GLY 33 1.768 7.665 1.892
225 HA2 GLY 33 1HA GLY 33 3.430 9.548 0.741
226 HA3 GLY 33 2HA GLY 33 2.784 9.669 2.370
227 H ILE 34 H ILE 34 4.109 7.417 3.476
228 HA ILE 34 HA ILE 34 6.445 8.528 4.424
229 HB ILE 34 HB ILE 34 7.013 6.415 5.343
230 HG12 ILE 34 1HG1 ILE 34 5.158 5.180 3.295
231 HG13 ILE 34 2HG1 ILE 34 6.916 5.101 3.268
232 HG21 ILE 34 1HG2 ILE 34 5.267 6.629 6.694
233 HG22 ILE 34 2HG2 ILE 34 4.329 7.396 5.414
234 HG23 ILE 34 3HG2 ILE 34 4.319 5.641 5.584
235 HD11 ILE 34 3HD1 ILE 34 5.025 3.436 4.648
236 HD12 ILE 34 1HD1 ILE 34 6.753 3.202 4.388
237 HD13 ILE 34 2HD1 ILE 34 6.188 4.136 5.774
238 H HIS 35 H HIS 35 5.940 6.604 1.538
239 HA HIS 35 HA HIS 35 8.767 6.341 0.998
240 HB2 HIS 35 1HB HIS 35 6.515 5.772 -0.925
241 HB3 HIS 35 2HB HIS 35 8.137 5.087 -0.920
242 HD1 HIS 35 HD1 HIS 35 8.549 3.802 1.631
243 HD2 HIS 35 HD2 HIS 35 4.757 3.929 -0.061
244 HE1 HIS 35 HE1 HIS 35 7.265 1.933 2.718
245 H THR 36 H THR 36 6.033 8.180 -0.303
246 HA THR 36 HA THR 36 7.683 9.556 -2.227
247 HB THR 36 HB THR 36 5.671 10.840 -2.767
248 HG1 THR 36 HG1 THR 36 4.337 11.120 -1.146
249 HG21 THR 36 3HG2 THR 36 5.765 7.915 -2.738
250 HG22 THR 36 1HG2 THR 36 5.383 9.022 -4.056
251 HG23 THR 36 2HG2 THR 36 4.136 8.573 -2.892
252 H GLY 37 H GLY 37 9.078 11.061 -1.575
253 HA2 GLY 37 1HA GLY 37 8.613 13.519 -0.665
254 HA3 GLY 37 2HA GLY 37 8.550 12.608 0.837
255 H GLU 38 H GLU 38 10.361 13.271 1.854
256 HA GLU 38 HA GLU 38 12.814 13.849 0.614
257 HB2 GLU 38 1HB GLU 38 11.931 13.345 3.418
258 HB3 GLU 38 2HB GLU 38 13.655 13.331 3.074
259 HG2 GLU 38 1HG GLU 38 13.397 15.519 3.608
260 HG3 GLU 38 2HG GLU 38 13.085 15.607 1.876
261 H LYS 39 H LYS 39 14.008 12.450 -0.489
262 HA LYS 39 HA LYS 39 14.158 9.664 0.435
263 HB2 LYS 39 1HB LYS 39 14.957 9.140 -1.834
264 HB3 LYS 39 2HB LYS 39 13.380 9.917 -1.857
265 HG2 LYS 39 1HG LYS 39 14.402 11.066 -3.530
266 HG3 LYS 39 2HG LYS 39 14.837 12.093 -2.162
267 HD2 LYS 39 1HD LYS 39 16.984 10.858 -1.986
268 HD3 LYS 39 2HD LYS 39 16.548 9.963 -3.443
269 HE2 LYS 39 1HE LYS 39 16.507 12.944 -3.499
270 HE3 LYS 39 2HE LYS 39 18.057 12.108 -3.576
271 HZ1 LYS 39 3HZ LYS 39 16.632 10.756 -5.391
272 HZ2 LYS 39 1HZ LYS 39 17.625 12.075 -5.762
273 HZ3 LYS 39 2HZ LYS 39 15.961 12.300 -5.562
274 HA PRO 40 HA PRO 40 18.341 10.164 1.694
275 HB2 PRO 40 1HB PRO 40 19.235 7.623 1.357
276 HB3 PRO 40 2HB PRO 40 18.148 8.093 2.669
277 HG2 PRO 40 1HG PRO 40 17.507 6.778 0.057
278 HG3 PRO 40 2HG PRO 40 16.883 6.413 1.676
279 HD2 PRO 40 1HD PRO 40 15.483 7.863 -0.132
280 HD3 PRO 40 2HD PRO 40 15.361 8.143 1.617
281 H SER 41 H SER 41 20.590 9.846 0.947
282 HA SER 41 HA SER 41 21.247 10.971 -1.377
283 HB2 SER 41 1HB SER 41 22.894 10.228 0.321
284 HB3 SER 41 2HB SER 41 22.726 8.573 -0.265
285 HG SER 41 HG SER 41 24.365 9.228 -1.460
286 H GLY 42 H GLY 42 21.341 7.408 -1.162
287 HA2 GLY 42 1HA GLY 42 21.091 5.810 -2.800
288 HA3 GLY 42 2HA GLY 42 19.683 6.761 -3.250
289 HA PRO 43 HA PRO 43 23.460 8.112 -6.009
290 HB2 PRO 43 1HB PRO 43 25.391 6.219 -6.250
291 HB3 PRO 43 2HB PRO 43 25.441 7.491 -5.024
292 HG2 PRO 43 1HG PRO 43 24.568 4.640 -4.760
293 HG3 PRO 43 2HG PRO 43 25.566 5.610 -3.662
294 HD2 PRO 43 1HD PRO 43 22.934 5.155 -3.220
295 HD3 PRO 43 2HD PRO 43 23.739 6.658 -2.726
296 H SER 44 H SER 44 23.033 4.568 -5.910
297 HA SER 44 HA SER 44 22.540 4.587 -8.798
298 HB2 SER 44 1HB SER 44 22.960 2.220 -8.760
299 HB3 SER 44 2HB SER 44 24.228 2.998 -7.813
300 HG SER 44 HG SER 44 23.205 1.091 -6.850
301 H SER 45 H SER 45 20.502 5.706 -7.361
302 HA SER 45 HA SER 45 18.489 3.901 -6.546
303 HB2 SER 45 1HB SER 45 18.465 6.799 -7.364
304 HB3 SER 45 2HB SER 45 16.971 5.948 -6.971
305 HG SER 45 HG SER 45 19.177 6.520 -5.309
306 H GLY 46 H GLY 46 18.991 5.661 -9.599
307 HA2 GLY 46 1HA GLY 46 18.441 3.885 -11.472
308 HA3 GLY 46 2HA GLY 46 16.822 4.141 -10.837
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -1.080 -32.618 0.619
2 HA2 GLY 1 1HA GLY 1 -1.048 -30.627 1.769
3 HA3 GLY 1 2HA GLY 1 -2.797 -30.792 1.747
4 H SER 2 H SER 2 0.112 -31.252 3.612
5 HA SER 2 HA SER 2 -1.557 -31.647 6.009
6 HB2 SER 2 1HB SER 2 -0.104 -33.633 5.248
7 HB3 SER 2 2HB SER 2 1.271 -32.663 5.777
8 HG SER 2 HG SER 2 -0.859 -32.925 7.550
9 H SER 3 H SER 3 -0.999 -30.521 7.857
10 HA SER 3 HA SER 3 -0.218 -28.767 9.077
11 HB2 SER 3 1HB SER 3 1.934 -30.163 8.652
12 HB3 SER 3 2HB SER 3 2.358 -28.872 7.529
13 HG SER 3 HG SER 3 3.201 -28.374 9.537
14 H GLY 4 H GLY 4 -1.730 -28.121 6.815
15 HA2 GLY 4 1HA GLY 4 -0.496 -26.087 5.246
16 HA3 GLY 4 2HA GLY 4 -2.221 -26.399 5.369
17 H SER 5 H SER 5 -1.247 -23.825 5.187
18 HA SER 5 HA SER 5 -2.398 -22.643 7.514
19 HB2 SER 5 1HB SER 5 -0.242 -23.027 8.512
20 HB3 SER 5 2HB SER 5 0.586 -22.380 7.096
21 HG SER 5 HG SER 5 -0.811 -21.033 9.119
22 H SER 6 H SER 6 -3.427 -20.882 6.850
23 HA SER 6 HA SER 6 -2.249 -19.000 5.034
24 HB2 SER 6 1HB SER 6 -3.057 -20.728 3.451
25 HB3 SER 6 2HB SER 6 -4.685 -20.538 4.100
26 HG SER 6 HG SER 6 -4.350 -19.296 2.200
27 H GLY 7 H GLY 7 -3.455 -17.049 4.861
28 HA2 GLY 7 1HA GLY 7 -5.599 -16.829 6.884
29 HA3 GLY 7 2HA GLY 7 -4.407 -15.570 6.596
30 H THR 8 H THR 8 -6.192 -14.120 6.283
31 HA THR 8 HA THR 8 -8.185 -14.438 4.346
32 HB THR 8 HB THR 8 -6.967 -11.803 5.186
33 HG1 THR 8 HG1 THR 8 -8.605 -13.620 6.541
34 HG21 THR 8 3HG2 THR 8 -8.677 -12.017 3.245
35 HG22 THR 8 1HG2 THR 8 -8.943 -10.797 4.489
36 HG23 THR 8 2HG2 THR 8 -9.847 -12.311 4.532
37 H GLY 9 H GLY 9 -8.365 -13.824 2.208
38 HA2 GLY 9 1HA GLY 9 -6.168 -14.111 0.541
39 HA3 GLY 9 2HA GLY 9 -7.681 -13.352 0.068
40 H GLU 10 H GLU 10 -5.866 -12.235 -1.259
41 HA GLU 10 HA GLU 10 -4.458 -10.154 0.176
42 HB2 GLU 10 1HB GLU 10 -3.456 -11.334 -1.777
43 HB3 GLU 10 2HB GLU 10 -4.679 -10.600 -2.804
44 HG2 GLU 10 1HG GLU 10 -2.797 -9.263 -3.091
45 HG3 GLU 10 2HG GLU 10 -3.807 -8.361 -1.963
46 H LYS 11 H LYS 11 -4.747 -7.914 -0.155
47 HA LYS 11 HA LYS 11 -7.477 -7.197 -0.990
48 HB2 LYS 11 1HB LYS 11 -5.599 -5.895 0.984
49 HB3 LYS 11 2HB LYS 11 -7.096 -5.149 0.439
50 HG2 LYS 11 1HG LYS 11 -6.973 -7.844 1.768
51 HG3 LYS 11 2HG LYS 11 -7.231 -6.329 2.638
52 HD2 LYS 11 1HD LYS 11 -9.170 -5.954 0.993
53 HD3 LYS 11 2HD LYS 11 -9.008 -7.673 0.625
54 HE2 LYS 11 1HE LYS 11 -9.416 -8.250 2.929
55 HE3 LYS 11 2HE LYS 11 -9.419 -6.550 3.394
56 HZ1 LYS 11 3HZ LYS 11 -11.566 -6.440 2.928
57 HZ2 LYS 11 1HZ LYS 11 -11.578 -8.091 2.561
58 HZ3 LYS 11 2HZ LYS 11 -11.298 -6.956 1.339
59 HA PRO 12 HA PRO 12 -5.894 -4.790 -4.311
60 HB2 PRO 12 1HB PRO 12 -7.868 -2.940 -4.531
61 HB3 PRO 12 2HB PRO 12 -8.066 -4.621 -5.040
62 HG2 PRO 12 1HG PRO 12 -8.950 -3.292 -2.507
63 HG3 PRO 12 2HG PRO 12 -9.827 -4.445 -3.531
64 HD2 PRO 12 1HD PRO 12 -8.582 -5.183 -1.243
65 HD3 PRO 12 2HD PRO 12 -8.725 -6.264 -2.643
66 H TYR 13 H TYR 13 -6.130 -3.643 -1.163
67 HA TYR 13 HA TYR 13 -5.041 -1.006 -1.856
68 HB2 TYR 13 1HB TYR 13 -6.037 -2.016 0.816
69 HB3 TYR 13 2HB TYR 13 -5.541 -0.368 0.448
70 HD1 TYR 13 HD2 TYR 13 -8.035 -2.965 -0.496
71 HD2 TYR 13 HD1 TYR 13 -7.106 1.183 -0.322
72 HE1 TYR 13 HE2 TYR 13 -10.341 -2.427 -1.160
73 HE2 TYR 13 HE1 TYR 13 -9.410 1.733 -0.985
74 HH TYR 13 HH TYR 13 -11.317 0.266 -2.402
75 H LYS 14 H LYS 14 -3.431 -3.336 -2.162
76 HA LYS 14 HA LYS 14 -1.599 -3.314 0.106
77 HB2 LYS 14 1HB LYS 14 -1.946 -5.496 -0.677
78 HB3 LYS 14 2HB LYS 14 -1.862 -5.004 -2.363
79 HG2 LYS 14 1HG LYS 14 0.446 -4.913 -2.361
80 HG3 LYS 14 2HG LYS 14 0.539 -4.739 -0.606
81 HD2 LYS 14 1HD LYS 14 -0.574 -7.130 -0.654
82 HD3 LYS 14 2HD LYS 14 0.155 -7.187 -2.261
83 HE2 LYS 14 1HE LYS 14 2.289 -7.171 -1.443
84 HE3 LYS 14 2HE LYS 14 1.844 -6.271 0.005
85 HZ1 LYS 14 3HZ LYS 14 1.717 -8.164 1.118
86 HZ2 LYS 14 1HZ LYS 14 2.200 -9.021 -0.259
87 HZ3 LYS 14 2HZ LYS 14 0.556 -8.767 0.046
88 H CYS 15 H CYS 15 0.120 -2.036 0.182
89 HA CYS 15 HA CYS 15 0.784 -0.234 -1.879
90 HB2 CYS 15 1HB CYS 15 1.263 0.280 0.447
91 HB3 CYS 15 2HB CYS 15 2.364 -1.089 0.554
92 H ASN 16 H ASN 16 2.833 -0.062 -3.019
93 HA ASN 16 HA ASN 16 3.839 -2.711 -3.812
94 HB2 ASN 16 1HB ASN 16 2.703 -1.048 -5.481
95 HB3 ASN 16 2HB ASN 16 4.261 -0.228 -5.442
96 HD21 ASN 16 1HD2 ASN 16 5.202 -0.692 -7.304
97 HD22 ASN 16 2HD2 ASN 16 5.413 -2.277 -7.957
98 H GLU 17 H GLU 17 4.755 0.468 -2.692
99 HA GLU 17 HA GLU 17 7.504 0.384 -3.167
100 HB2 GLU 17 1HB GLU 17 5.883 1.730 -1.012
101 HB3 GLU 17 2HB GLU 17 7.624 1.935 -1.145
102 HG2 GLU 17 1HG GLU 17 5.609 2.632 -3.269
103 HG3 GLU 17 2HG GLU 17 6.408 3.772 -2.187
104 H CYS 18 H CYS 18 5.721 -0.551 -0.226
105 HA CYS 18 HA CYS 18 8.096 -2.049 0.651
106 HB2 CYS 18 1HB CYS 18 7.079 -1.987 2.903
107 HB3 CYS 18 2HB CYS 18 7.349 -0.374 2.252
108 H GLY 19 H GLY 19 4.550 -2.284 0.453
109 HA2 GLY 19 1HA GLY 19 3.649 -4.324 -0.583
110 HA3 GLY 19 2HA GLY 19 4.873 -5.218 0.306
111 H LYS 20 H LYS 20 3.025 -2.583 1.688
112 HA LYS 20 HA LYS 20 2.097 -4.315 3.800
113 HB2 LYS 20 1HB LYS 20 2.111 -1.391 3.268
114 HB3 LYS 20 2HB LYS 20 0.860 -2.000 4.344
115 HG2 LYS 20 1HG LYS 20 2.520 -2.935 5.819
116 HG3 LYS 20 2HG LYS 20 3.812 -2.476 4.706
117 HD2 LYS 20 1HD LYS 20 3.270 -0.119 5.037
118 HD3 LYS 20 2HD LYS 20 1.951 -0.566 6.122
119 HE2 LYS 20 1HE LYS 20 3.390 -1.243 7.801
120 HE3 LYS 20 2HE LYS 20 4.725 -1.524 6.684
121 HZ1 LYS 20 3HZ LYS 20 5.464 0.438 7.403
122 HZ2 LYS 20 1HZ LYS 20 3.973 0.879 8.073
123 HZ3 LYS 20 2HZ LYS 20 4.267 1.127 6.426
124 H VAL 21 H VAL 21 -0.334 -3.596 4.509
125 HA VAL 21 HA VAL 21 -2.106 -3.718 2.189
126 HB VAL 21 HB VAL 21 -2.151 -5.772 4.405
127 HG11 VAL 21 1HG1 VAL 21 -4.048 -6.744 3.101
128 HG12 VAL 21 2HG1 VAL 21 -4.411 -5.199 3.873
129 HG13 VAL 21 3HG1 VAL 21 -4.075 -5.264 2.143
130 HG21 VAL 21 3HG2 VAL 21 -1.674 -6.065 1.440
131 HG22 VAL 21 1HG2 VAL 21 -0.453 -6.204 2.705
132 HG23 VAL 21 2HG2 VAL 21 -1.760 -7.384 2.606
133 H PHE 22 H PHE 22 -4.157 -2.911 2.552
134 HA PHE 22 HA PHE 22 -4.854 -2.068 5.264
135 HB2 PHE 22 1HB PHE 22 -4.976 -0.154 2.929
136 HB3 PHE 22 2HB PHE 22 -5.307 0.202 4.621
137 HD1 PHE 22 HD1 PHE 22 -3.486 0.395 6.231
138 HD2 PHE 22 HD2 PHE 22 -2.734 -0.287 2.097
139 HE1 PHE 22 HE1 PHE 22 -1.136 1.047 6.555
140 HE2 PHE 22 HE2 PHE 22 -0.382 0.363 2.415
141 HZ PHE 22 HZ PHE 22 0.420 1.030 4.645
142 H THR 23 H THR 23 -7.135 -1.040 5.218
143 HA THR 23 HA THR 23 -8.817 -2.672 3.430
144 HB THR 23 HB THR 23 -9.049 -3.333 5.773
145 HG1 THR 23 HG1 THR 23 -11.153 -2.151 4.361
146 HG21 THR 23 3HG2 THR 23 -10.105 -1.720 7.370
147 HG22 THR 23 1HG2 THR 23 -9.799 -0.441 6.196
148 HG23 THR 23 2HG2 THR 23 -8.449 -1.315 6.920
149 H GLN 24 H GLN 24 -8.169 0.506 4.669
150 HA GLN 24 HA GLN 24 -10.392 1.571 3.055
151 HB2 GLN 24 1HB GLN 24 -10.505 1.973 5.542
152 HB3 GLN 24 2HB GLN 24 -9.053 2.951 5.382
153 HG2 GLN 24 1HG GLN 24 -10.829 4.472 5.381
154 HG3 GLN 24 2HG GLN 24 -10.336 4.333 3.694
155 HE21 GLN 24 1HE2 GLN 24 -12.748 3.424 6.058
156 HE22 GLN 24 2HE2 GLN 24 -13.995 3.044 4.925
157 H ASN 25 H ASN 25 -9.906 2.861 1.396
158 HA ASN 25 HA ASN 25 -7.488 3.114 0.226
159 HB2 ASN 25 1HB ASN 25 -8.393 5.379 -0.678
160 HB3 ASN 25 2HB ASN 25 -9.272 3.900 -1.054
161 HD21 ASN 25 1HD2 ASN 25 -11.327 3.683 -0.396
162 HD22 ASN 25 2HD2 ASN 25 -12.187 4.858 0.535
163 H SER 26 H SER 26 -8.869 5.657 2.315
164 HA SER 26 HA SER 26 -6.858 7.450 2.425
165 HB2 SER 26 1HB SER 26 -8.988 7.608 3.708
166 HB3 SER 26 2HB SER 26 -8.332 6.464 4.879
167 HG SER 26 HG SER 26 -7.767 9.141 4.507
168 H HIS 27 H HIS 27 -7.066 4.718 4.713
169 HA HIS 27 HA HIS 27 -4.682 4.999 6.010
170 HB2 HIS 27 1HB HIS 27 -5.826 2.351 5.102
171 HB3 HIS 27 2HB HIS 27 -4.747 2.616 6.468
172 HD1 HIS 27 HD1 HIS 27 -7.380 1.244 7.002
173 HD2 HIS 27 HD2 HIS 27 -6.902 5.367 7.178
174 HE1 HIS 27 HE1 HIS 27 -9.239 2.074 8.479
175 H LEU 28 H LEU 28 -5.220 3.672 2.800
176 HA LEU 28 HA LEU 28 -2.482 2.836 2.475
177 HB2 LEU 28 1HB LEU 28 -4.004 1.537 1.279
178 HB3 LEU 28 2HB LEU 28 -4.888 2.945 0.695
179 HG LEU 28 HG LEU 28 -3.000 3.482 -0.797
180 HD11 LEU 28 1HD1 LEU 28 -1.656 1.568 0.830
181 HD12 LEU 28 2HD1 LEU 28 -1.001 2.600 -0.440
182 HD13 LEU 28 3HD1 LEU 28 -1.642 1.008 -0.842
183 HD21 LEU 28 3HD2 LEU 28 -4.950 1.997 -1.442
184 HD22 LEU 28 1HD2 LEU 28 -3.858 0.630 -1.215
185 HD23 LEU 28 2HD2 LEU 28 -3.496 1.855 -2.431
186 H ALA 29 H ALA 29 -4.430 5.083 0.508
187 HA ALA 29 HA ALA 29 -2.544 6.383 -0.884
188 HB1 ALA 29 3HB ALA 29 -4.308 7.610 -1.430
189 HB2 ALA 29 1HB ALA 29 -5.185 6.992 -0.029
190 HB3 ALA 29 2HB ALA 29 -4.204 8.451 0.117
191 H ARG 30 H ARG 30 -3.386 7.143 2.485
192 HA ARG 30 HA ARG 30 -1.492 9.235 2.762
193 HB2 ARG 30 1HB ARG 30 -2.093 9.294 5.028
194 HB3 ARG 30 2HB ARG 30 -3.551 8.744 4.213
195 HG2 ARG 30 1HG ARG 30 -2.937 6.414 4.799
196 HG3 ARG 30 2HG ARG 30 -1.576 7.050 5.725
197 HD2 ARG 30 1HD ARG 30 -4.398 7.949 6.224
198 HD3 ARG 30 2HD ARG 30 -3.732 6.508 6.993
199 HE ARG 30 HE ARG 30 -3.128 9.249 7.623
200 HH11 ARG 30 1HH1 ARG 30 -2.005 5.957 7.766
201 HH12 ARG 30 2HH1 ARG 30 -0.945 6.239 9.107
202 HH21 ARG 30 1HH2 ARG 30 -1.736 9.633 9.388
203 HH22 ARG 30 2HH2 ARG 30 -0.794 8.330 10.030
204 H HIS 31 H HIS 31 -1.408 5.774 3.440
205 HA HIS 31 HA HIS 31 0.992 5.638 4.843
206 HB2 HIS 31 1HB HIS 31 -0.114 3.620 4.851
207 HB3 HIS 31 2HB HIS 31 -0.559 3.735 3.150
208 HD1 HIS 31 HD1 HIS 31 2.529 3.076 5.263
209 HD2 HIS 31 HD2 HIS 31 0.983 2.226 1.501
210 HE1 HIS 31 HE1 HIS 31 4.162 1.479 4.210
211 H ARG 32 H ARG 32 0.468 5.260 1.337
212 HA ARG 32 HA ARG 32 3.038 4.859 0.492
213 HB2 ARG 32 1HB ARG 32 0.909 6.550 -0.831
214 HB3 ARG 32 2HB ARG 32 2.372 5.985 -1.627
215 HG2 ARG 32 1HG ARG 32 1.676 3.753 -1.577
216 HG3 ARG 32 2HG ARG 32 0.434 4.078 -0.367
217 HD2 ARG 32 1HD ARG 32 -0.888 5.287 -1.957
218 HD3 ARG 32 2HD ARG 32 0.404 5.218 -3.155
219 HE ARG 32 HE ARG 32 -0.497 2.630 -2.302
220 HH11 ARG 32 1HH1 ARG 32 -1.079 5.276 -4.489
221 HH12 ARG 32 2HH1 ARG 32 -1.906 4.299 -5.657
222 HH21 ARG 32 1HH2 ARG 32 -1.584 1.334 -3.833
223 HH22 ARG 32 2HH2 ARG 32 -2.193 2.058 -5.283
224 H GLY 33 H GLY 33 1.706 7.718 1.882
225 HA2 GLY 33 1HA GLY 33 3.342 9.715 0.857
226 HA3 GLY 33 2HA GLY 33 2.668 9.714 2.480
227 H ILE 34 H ILE 34 4.021 7.369 3.403
228 HA ILE 34 HA ILE 34 6.369 8.494 4.406
229 HB ILE 34 HB ILE 34 6.855 6.408 5.387
230 HG12 ILE 34 1HG1 ILE 34 5.068 5.120 3.312
231 HG13 ILE 34 2HG1 ILE 34 6.828 5.079 3.306
232 HG21 ILE 34 1HG2 ILE 34 4.165 7.378 5.337
233 HG22 ILE 34 2HG2 ILE 34 4.156 5.626 5.533
234 HG23 ILE 34 3HG2 ILE 34 5.056 6.635 6.666
235 HD11 ILE 34 3HD1 ILE 34 6.916 3.449 4.834
236 HD12 ILE 34 1HD1 ILE 34 5.586 4.119 5.779
237 HD13 ILE 34 2HD1 ILE 34 5.248 3.152 4.344
238 H HIS 35 H HIS 35 5.775 6.691 1.487
239 HA HIS 35 HA HIS 35 8.591 6.264 0.956
240 HB2 HIS 35 1HB HIS 35 6.198 5.777 -0.830
241 HB3 HIS 35 2HB HIS 35 7.838 5.197 -1.107
242 HD1 HIS 35 HD1 HIS 35 8.677 3.760 1.252
243 HD2 HIS 35 HD2 HIS 35 4.682 3.766 0.113
244 HE1 HIS 35 HE1 HIS 35 7.662 1.738 2.350
245 H THR 36 H THR 36 5.940 8.206 -0.387
246 HA THR 36 HA THR 36 7.592 9.510 -2.320
247 HB THR 36 HB THR 36 5.676 11.007 -2.676
248 HG1 THR 36 HG1 THR 36 5.030 10.984 -0.390
249 HG21 THR 36 3HG2 THR 36 5.764 8.261 -3.129
250 HG22 THR 36 1HG2 THR 36 4.708 9.428 -3.924
251 HG23 THR 36 2HG2 THR 36 4.145 8.557 -2.497
252 H GLY 37 H GLY 37 8.996 11.096 -1.973
253 HA2 GLY 37 1HA GLY 37 8.586 13.442 -0.607
254 HA3 GLY 37 2HA GLY 37 9.241 12.339 0.594
255 H GLU 38 H GLU 38 11.311 11.246 -0.008
256 HA GLU 38 HA GLU 38 13.212 13.210 -0.800
257 HB2 GLU 38 1HB GLU 38 13.462 10.263 -0.201
258 HB3 GLU 38 2HB GLU 38 14.839 11.277 -0.609
259 HG2 GLU 38 1HG GLU 38 13.108 11.341 1.826
260 HG3 GLU 38 2HG GLU 38 14.863 11.219 1.707
261 H LYS 39 H LYS 39 13.233 13.844 -2.873
262 HA LYS 39 HA LYS 39 13.269 11.766 -4.959
263 HB2 LYS 39 1HB LYS 39 12.452 14.671 -5.106
264 HB3 LYS 39 2HB LYS 39 12.599 13.620 -6.508
265 HG2 LYS 39 1HG LYS 39 10.779 13.024 -4.191
266 HG3 LYS 39 2HG LYS 39 10.275 13.935 -5.617
267 HD2 LYS 39 1HD LYS 39 10.834 12.031 -7.040
268 HD3 LYS 39 2HD LYS 39 11.375 11.123 -5.626
269 HE2 LYS 39 1HE LYS 39 9.235 10.317 -5.890
270 HE3 LYS 39 2HE LYS 39 8.970 11.629 -4.743
271 HZ1 LYS 39 3HZ LYS 39 8.812 12.605 -7.391
272 HZ2 LYS 39 1HZ LYS 39 7.631 12.622 -6.179
273 HZ3 LYS 39 2HZ LYS 39 7.766 11.288 -7.209
274 HA PRO 40 HA PRO 40 17.442 12.793 -5.898
275 HB2 PRO 40 1HB PRO 40 17.522 12.019 -8.498
276 HB3 PRO 40 2HB PRO 40 17.480 10.871 -7.155
277 HG2 PRO 40 1HG PRO 40 15.245 11.817 -8.908
278 HG3 PRO 40 2HG PRO 40 15.604 10.175 -8.340
279 HD2 PRO 40 1HD PRO 40 13.704 11.729 -7.197
280 HD3 PRO 40 2HD PRO 40 14.653 10.546 -6.274
281 H SER 41 H SER 41 14.927 13.886 -8.141
282 HA SER 41 HA SER 41 16.650 16.081 -9.026
283 HB2 SER 41 1HB SER 41 15.617 14.968 -10.859
284 HB3 SER 41 2HB SER 41 14.041 14.975 -10.069
285 HG SER 41 HG SER 41 15.204 16.876 -11.614
286 H GLY 42 H GLY 42 16.383 16.922 -6.741
287 HA2 GLY 42 1HA GLY 42 15.555 19.131 -6.067
288 HA3 GLY 42 2HA GLY 42 13.971 18.625 -6.637
289 HA PRO 43 HA PRO 43 14.907 17.471 -2.050
290 HB2 PRO 43 1HB PRO 43 14.148 19.734 -0.757
291 HB3 PRO 43 2HB PRO 43 15.815 19.426 -1.256
292 HG2 PRO 43 1HG PRO 43 13.717 21.095 -2.587
293 HG3 PRO 43 2HG PRO 43 15.436 21.451 -2.336
294 HD2 PRO 43 1HD PRO 43 14.463 20.564 -4.702
295 HD3 PRO 43 2HD PRO 43 16.094 20.161 -4.129
296 H SER 44 H SER 44 12.391 19.809 -3.031
297 HA SER 44 HA SER 44 10.394 18.150 -1.663
298 HB2 SER 44 1HB SER 44 10.519 21.041 -2.434
299 HB3 SER 44 2HB SER 44 8.944 20.272 -2.241
300 HG SER 44 HG SER 44 10.618 19.661 -0.196
301 H SER 45 H SER 45 11.031 19.755 -4.759
302 HA SER 45 HA SER 45 10.340 19.291 -6.878
303 HB2 SER 45 1HB SER 45 10.920 16.920 -6.128
304 HB3 SER 45 2HB SER 45 9.194 16.697 -5.842
305 HG SER 45 HG SER 45 10.335 16.255 -8.058
306 H GLY 46 H GLY 46 8.685 20.824 -5.200
307 HA2 GLY 46 1HA GLY 46 6.243 20.711 -6.675
308 HA3 GLY 46 2HA GLY 46 6.019 20.142 -5.027
Start of MODEL 8
1 H1 GLY 1 H GLY 1 14.210 -17.516 3.037
2 HA2 GLY 1 1HA GLY 1 12.645 -18.302 4.794
3 HA3 GLY 1 2HA GLY 1 11.824 -18.096 3.255
4 H SER 2 H SER 2 12.367 -20.188 5.778
5 HA SER 2 HA SER 2 11.625 -22.519 4.133
6 HB2 SER 2 1HB SER 2 12.662 -23.932 5.863
7 HB3 SER 2 2HB SER 2 13.827 -22.794 5.186
8 HG SER 2 HG SER 2 14.100 -22.060 7.123
9 H SER 3 H SER 3 9.712 -23.427 4.518
10 HA SER 3 HA SER 3 7.653 -23.811 5.408
11 HB2 SER 3 1HB SER 3 9.420 -23.722 7.829
12 HB3 SER 3 2HB SER 3 7.674 -23.868 8.031
13 HG SER 3 HG SER 3 9.379 -25.609 6.577
14 H GLY 4 H GLY 4 8.025 -21.221 4.564
15 HA2 GLY 4 1HA GLY 4 6.968 -19.487 6.673
16 HA3 GLY 4 2HA GLY 4 7.555 -18.966 5.100
17 H SER 5 H SER 5 5.077 -18.238 6.407
18 HA SER 5 HA SER 5 3.255 -19.023 4.261
19 HB2 SER 5 1HB SER 5 2.766 -19.427 7.201
20 HB3 SER 5 2HB SER 5 1.421 -19.185 6.087
21 HG SER 5 HG SER 5 1.696 -21.135 5.348
22 H SER 6 H SER 6 1.851 -17.440 3.642
23 HA SER 6 HA SER 6 2.306 -14.805 4.811
24 HB2 SER 6 1HB SER 6 2.504 -15.087 2.357
25 HB3 SER 6 2HB SER 6 0.808 -15.565 2.292
26 HG SER 6 HG SER 6 0.585 -13.476 1.980
27 H GLY 7 H GLY 7 -0.460 -16.819 3.804
28 HA2 GLY 7 1HA GLY 7 -2.168 -17.023 5.672
29 HA3 GLY 7 2HA GLY 7 -2.138 -15.266 5.671
30 H THR 8 H THR 8 -4.540 -16.139 5.368
31 HA THR 8 HA THR 8 -5.084 -16.241 2.474
32 HB THR 8 HB THR 8 -7.268 -17.216 3.036
33 HG1 THR 8 HG1 THR 8 -7.629 -17.848 5.233
34 HG21 THR 8 3HG2 THR 8 -5.335 -18.693 2.627
35 HG22 THR 8 1HG2 THR 8 -6.490 -19.406 3.752
36 HG23 THR 8 2HG2 THR 8 -4.991 -18.699 4.356
37 H GLY 9 H GLY 9 -6.847 -15.005 1.645
38 HA2 GLY 9 1HA GLY 9 -8.358 -13.245 1.594
39 HA3 GLY 9 2HA GLY 9 -8.151 -13.059 3.330
40 H GLU 10 H GLU 10 -7.166 -12.002 0.202
41 HA GLU 10 HA GLU 10 -5.218 -10.153 1.402
42 HB2 GLU 10 1HB GLU 10 -5.564 -11.025 -1.472
43 HB3 GLU 10 2HB GLU 10 -4.391 -9.838 -0.921
44 HG2 GLU 10 1HG GLU 10 -4.431 -12.595 0.234
45 HG3 GLU 10 2HG GLU 10 -3.632 -12.266 -1.302
46 H LYS 11 H LYS 11 -5.142 -7.958 0.454
47 HA LYS 11 HA LYS 11 -7.837 -7.019 -0.285
48 HB2 LYS 11 1HB LYS 11 -5.881 -6.001 1.713
49 HB3 LYS 11 2HB LYS 11 -6.821 -4.812 0.822
50 HG2 LYS 11 1HG LYS 11 -7.993 -5.241 2.823
51 HG3 LYS 11 2HG LYS 11 -8.882 -6.062 1.537
52 HD2 LYS 11 1HD LYS 11 -8.786 -7.598 3.325
53 HD3 LYS 11 2HD LYS 11 -7.576 -8.147 2.164
54 HE2 LYS 11 1HE LYS 11 -5.808 -7.472 3.493
55 HE3 LYS 11 2HE LYS 11 -6.784 -6.297 4.373
56 HZ1 LYS 11 3HZ LYS 11 -6.386 -9.114 4.882
57 HZ2 LYS 11 1HZ LYS 11 -7.993 -8.602 5.013
58 HZ3 LYS 11 2HZ LYS 11 -6.792 -7.867 5.950
59 HA PRO 12 HA PRO 12 -5.992 -5.342 -3.916
60 HB2 PRO 12 1HB PRO 12 -7.871 -3.476 -4.516
61 HB3 PRO 12 2HB PRO 12 -8.127 -5.208 -4.755
62 HG2 PRO 12 1HG PRO 12 -9.039 -3.450 -2.510
63 HG3 PRO 12 2HG PRO 12 -9.930 -4.719 -3.371
64 HD2 PRO 12 1HD PRO 12 -8.803 -5.122 -0.942
65 HD3 PRO 12 2HD PRO 12 -8.946 -6.411 -2.155
66 H TYR 13 H TYR 13 -6.212 -3.732 -1.001
67 HA TYR 13 HA TYR 13 -5.046 -1.253 -2.056
68 HB2 TYR 13 1HB TYR 13 -6.058 -1.845 0.733
69 HB3 TYR 13 2HB TYR 13 -5.524 -0.280 0.130
70 HD1 TYR 13 HD2 TYR 13 -8.063 -2.936 -0.506
71 HD2 TYR 13 HD1 TYR 13 -7.078 1.195 -0.774
72 HE1 TYR 13 HE2 TYR 13 -10.358 -2.442 -1.238
73 HE2 TYR 13 HE1 TYR 13 -9.371 1.700 -1.506
74 HH TYR 13 HH TYR 13 -11.911 -0.450 -1.207
75 H LYS 14 H LYS 14 -3.379 -3.412 -2.211
76 HA LYS 14 HA LYS 14 -1.614 -3.313 0.116
77 HB2 LYS 14 1HB LYS 14 -1.890 -5.525 -0.586
78 HB3 LYS 14 2HB LYS 14 -1.815 -5.096 -2.290
79 HG2 LYS 14 1HG LYS 14 0.524 -4.823 -2.223
80 HG3 LYS 14 2HG LYS 14 0.550 -4.835 -0.458
81 HD2 LYS 14 1HD LYS 14 -0.412 -7.213 -0.670
82 HD3 LYS 14 2HD LYS 14 0.112 -7.122 -2.353
83 HE2 LYS 14 1HE LYS 14 2.367 -6.955 -1.763
84 HE3 LYS 14 2HE LYS 14 1.993 -6.486 -0.105
85 HZ1 LYS 14 3HZ LYS 14 1.921 -8.602 0.527
86 HZ2 LYS 14 1HZ LYS 14 2.615 -8.998 -0.965
87 HZ3 LYS 14 2HZ LYS 14 0.936 -9.057 -0.770
88 H CYS 15 H CYS 15 0.123 -2.054 0.183
89 HA CYS 15 HA CYS 15 0.796 -0.299 -1.929
90 HB2 CYS 15 1HB CYS 15 1.188 0.244 0.440
91 HB3 CYS 15 2HB CYS 15 2.398 -1.031 0.531
92 H ASN 16 H ASN 16 2.541 -0.265 -3.327
93 HA ASN 16 HA ASN 16 3.754 -2.882 -3.831
94 HB2 ASN 16 1HB ASN 16 3.486 -0.412 -5.552
95 HB3 ASN 16 2HB ASN 16 4.400 -1.838 -6.035
96 HD21 ASN 16 1HD2 ASN 16 1.242 -0.534 -5.392
97 HD22 ASN 16 2HD2 ASN 16 0.344 -1.803 -6.145
98 H GLU 17 H GLU 17 4.514 0.325 -2.797
99 HA GLU 17 HA GLU 17 7.245 0.431 -3.410
100 HB2 GLU 17 1HB GLU 17 5.673 1.682 -1.157
101 HB3 GLU 17 2HB GLU 17 7.364 2.045 -1.474
102 HG2 GLU 17 1HG GLU 17 6.322 3.765 -2.562
103 HG3 GLU 17 2HG GLU 17 6.511 2.598 -3.869
104 H CYS 18 H CYS 18 5.626 -0.623 -0.418
105 HA CYS 18 HA CYS 18 8.118 -2.000 0.341
106 HB2 CYS 18 1HB CYS 18 7.241 -1.887 2.677
107 HB3 CYS 18 2HB CYS 18 7.558 -0.309 1.964
108 H GLY 19 H GLY 19 4.572 -2.261 0.431
109 HA2 GLY 19 1HA GLY 19 3.700 -4.405 -0.494
110 HA3 GLY 19 2HA GLY 19 4.904 -5.198 0.511
111 H LYS 20 H LYS 20 3.117 -2.426 1.641
112 HA LYS 20 HA LYS 20 2.074 -3.973 3.844
113 HB2 LYS 20 1HB LYS 20 2.945 -1.471 3.761
114 HB3 LYS 20 2HB LYS 20 1.264 -1.140 3.365
115 HG2 LYS 20 1HG LYS 20 0.503 -1.798 5.429
116 HG3 LYS 20 2HG LYS 20 1.893 -2.846 5.726
117 HD2 LYS 20 1HD LYS 20 3.272 -1.054 6.301
118 HD3 LYS 20 2HD LYS 20 2.220 0.128 5.518
119 HE2 LYS 20 1HE LYS 20 1.879 0.421 7.827
120 HE3 LYS 20 2HE LYS 20 0.481 -0.492 7.262
121 HZ1 LYS 20 3HZ LYS 20 2.419 -1.211 9.204
122 HZ2 LYS 20 1HZ LYS 20 2.364 -2.371 7.973
123 HZ3 LYS 20 2HZ LYS 20 0.957 -1.972 8.822
124 H VAL 21 H VAL 21 -0.251 -3.667 4.501
125 HA VAL 21 HA VAL 21 -2.036 -3.601 2.162
126 HB VAL 21 HB VAL 21 -2.156 -5.608 4.417
127 HG11 VAL 21 1HG1 VAL 21 -4.011 -5.039 2.123
128 HG12 VAL 21 2HG1 VAL 21 -3.988 -6.594 2.957
129 HG13 VAL 21 3HG1 VAL 21 -4.387 -5.122 3.843
130 HG21 VAL 21 3HG2 VAL 21 -1.636 -6.041 1.478
131 HG22 VAL 21 1HG2 VAL 21 -0.394 -6.031 2.731
132 HG23 VAL 21 2HG2 VAL 21 -1.649 -7.270 2.742
133 H PHE 22 H PHE 22 -4.194 -2.963 2.579
134 HA PHE 22 HA PHE 22 -4.872 -2.019 5.241
135 HB2 PHE 22 1HB PHE 22 -4.944 -0.096 2.913
136 HB3 PHE 22 2HB PHE 22 -5.276 0.258 4.605
137 HD1 PHE 22 HD2 PHE 22 -2.630 -0.579 2.183
138 HD2 PHE 22 HD1 PHE 22 -3.529 0.739 6.129
139 HE1 PHE 22 HE2 PHE 22 -0.270 0.036 2.512
140 HE2 PHE 22 HE1 PHE 22 -1.171 1.356 6.464
141 HZ PHE 22 HZ PHE 22 0.462 1.004 4.654
142 H THR 23 H THR 23 -7.139 -1.094 5.259
143 HA THR 23 HA THR 23 -8.816 -2.759 3.521
144 HB THR 23 HB THR 23 -9.525 -1.348 6.101
145 HG1 THR 23 HG1 THR 23 -8.565 -3.893 5.477
146 HG21 THR 23 3HG2 THR 23 -11.270 -3.502 5.259
147 HG22 THR 23 1HG2 THR 23 -11.220 -2.204 4.067
148 HG23 THR 23 2HG2 THR 23 -11.671 -1.852 5.736
149 H GLN 24 H GLN 24 -8.480 0.562 4.707
150 HA GLN 24 HA GLN 24 -10.430 1.442 2.695
151 HB2 GLN 24 1HB GLN 24 -10.802 2.102 5.076
152 HB3 GLN 24 2HB GLN 24 -9.297 3.010 5.015
153 HG2 GLN 24 1HG GLN 24 -11.242 4.450 4.721
154 HG3 GLN 24 2HG GLN 24 -10.202 4.455 3.297
155 HE21 GLN 24 1HE2 GLN 24 -11.447 4.695 1.585
156 HE22 GLN 24 2HE2 GLN 24 -12.901 3.823 1.256
157 H ASN 25 H ASN 25 -9.914 2.949 1.149
158 HA ASN 25 HA ASN 25 -7.383 2.984 0.064
159 HB2 ASN 25 1HB ASN 25 -9.343 3.681 -1.200
160 HB3 ASN 25 2HB ASN 25 -9.539 5.094 -0.166
161 HD21 ASN 25 1HD2 ASN 25 -7.794 6.676 -0.181
162 HD22 ASN 25 2HD2 ASN 25 -6.912 6.928 -1.645
163 H SER 26 H SER 26 -8.869 5.721 1.810
164 HA SER 26 HA SER 26 -6.814 7.455 1.972
165 HB2 SER 26 1HB SER 26 -7.685 8.160 4.195
166 HB3 SER 26 2HB SER 26 -8.964 7.930 3.003
167 HG SER 26 HG SER 26 -8.296 6.357 5.230
168 H HIS 27 H HIS 27 -7.324 4.854 4.360
169 HA HIS 27 HA HIS 27 -5.092 5.196 5.911
170 HB2 HIS 27 1HB HIS 27 -6.246 2.538 5.042
171 HB3 HIS 27 2HB HIS 27 -5.241 2.815 6.460
172 HD1 HIS 27 HD1 HIS 27 -8.066 1.610 6.718
173 HD2 HIS 27 HD2 HIS 27 -7.202 5.657 7.090
174 HE1 HIS 27 HE1 HIS 27 -9.944 2.576 8.083
175 H LEU 28 H LEU 28 -5.319 3.611 2.771
176 HA LEU 28 HA LEU 28 -2.599 2.703 2.783
177 HB2 LEU 28 1HB LEU 28 -3.960 1.400 1.447
178 HB3 LEU 28 2HB LEU 28 -4.811 2.792 0.781
179 HG LEU 28 HG LEU 28 -2.768 3.334 -0.534
180 HD11 LEU 28 1HD1 LEU 28 -1.413 0.953 -0.669
181 HD12 LEU 28 2HD1 LEU 28 -1.721 1.131 1.058
182 HD13 LEU 28 3HD1 LEU 28 -0.871 2.401 0.178
183 HD21 LEU 28 3HD2 LEU 28 -3.250 1.826 -2.251
184 HD22 LEU 28 1HD2 LEU 28 -4.744 1.901 -1.316
185 HD23 LEU 28 2HD2 LEU 28 -3.653 0.529 -1.125
186 H ALA 29 H ALA 29 -4.325 5.196 0.903
187 HA ALA 29 HA ALA 29 -2.210 6.294 -0.460
188 HB1 ALA 29 3HB ALA 29 -3.519 8.234 -0.767
189 HB2 ALA 29 1HB ALA 29 -4.661 6.897 -0.632
190 HB3 ALA 29 2HB ALA 29 -4.397 7.974 0.740
191 H ARG 30 H ARG 30 -3.378 7.270 2.763
192 HA ARG 30 HA ARG 30 -1.499 9.264 3.256
193 HB2 ARG 30 1HB ARG 30 -2.111 9.107 5.552
194 HB3 ARG 30 2HB ARG 30 -3.556 8.747 4.616
195 HG2 ARG 30 1HG ARG 30 -3.373 6.424 5.069
196 HG3 ARG 30 2HG ARG 30 -1.760 6.623 5.757
197 HD2 ARG 30 1HD ARG 30 -3.010 8.246 7.399
198 HD3 ARG 30 2HD ARG 30 -4.422 7.308 6.913
199 HE ARG 30 HE ARG 30 -3.616 5.523 8.111
200 HH11 ARG 30 1HH1 ARG 30 -1.116 7.922 7.771
201 HH12 ARG 30 2HH1 ARG 30 -0.041 7.149 8.889
202 HH21 ARG 30 1HH2 ARG 30 -2.210 4.496 9.585
203 HH22 ARG 30 2HH2 ARG 30 -0.664 5.200 9.919
204 H HIS 31 H HIS 31 -1.267 5.782 3.586
205 HA HIS 31 HA HIS 31 1.151 5.744 5.074
206 HB2 HIS 31 1HB HIS 31 0.097 3.710 5.225
207 HB3 HIS 31 2HB HIS 31 -0.458 3.752 3.554
208 HD1 HIS 31 HD1 HIS 31 2.642 3.014 5.583
209 HD2 HIS 31 HD2 HIS 31 1.119 2.392 1.768
210 HE1 HIS 31 HE1 HIS 31 4.255 1.443 4.463
211 H ARG 32 H ARG 32 0.462 5.310 1.609
212 HA ARG 32 HA ARG 32 2.991 4.849 0.655
213 HB2 ARG 32 1HB ARG 32 0.691 6.386 -0.533
214 HB3 ARG 32 2HB ARG 32 2.188 6.134 -1.419
215 HG2 ARG 32 1HG ARG 32 1.893 3.723 -1.261
216 HG3 ARG 32 2HG ARG 32 0.407 3.960 -0.340
217 HD2 ARG 32 1HD ARG 32 -0.185 3.513 -2.616
218 HD3 ARG 32 2HD ARG 32 -0.520 5.212 -2.281
219 HE ARG 32 HE ARG 32 2.076 4.782 -3.415
220 HH11 ARG 32 1HH1 ARG 32 -1.306 5.187 -4.132
221 HH12 ARG 32 2HH1 ARG 32 -1.029 5.779 -5.736
222 HH21 ARG 32 1HH2 ARG 32 2.454 5.560 -5.525
223 HH22 ARG 32 2HH2 ARG 32 1.111 5.990 -6.528
224 H GLY 33 H GLY 33 1.811 7.695 2.143
225 HA2 GLY 33 1HA GLY 33 3.399 9.676 0.970
226 HA3 GLY 33 2HA GLY 33 2.795 9.712 2.620
227 H ILE 34 H ILE 34 4.197 7.255 3.375
228 HA ILE 34 HA ILE 34 6.556 8.367 4.379
229 HB ILE 34 HB ILE 34 7.159 6.172 5.125
230 HG12 ILE 34 1HG1 ILE 34 5.014 5.067 3.302
231 HG13 ILE 34 2HG1 ILE 34 6.733 5.045 2.927
232 HG21 ILE 34 1HG2 ILE 34 4.790 5.378 5.934
233 HG22 ILE 34 2HG2 ILE 34 5.490 6.885 6.523
234 HG23 ILE 34 3HG2 ILE 34 4.279 6.917 5.242
235 HD11 ILE 34 3HD1 ILE 34 6.135 2.906 3.763
236 HD12 ILE 34 1HD1 ILE 34 7.085 3.717 5.008
237 HD13 ILE 34 2HD1 ILE 34 5.331 3.613 5.164
238 H HIS 35 H HIS 35 5.895 6.736 1.375
239 HA HIS 35 HA HIS 35 8.705 6.407 0.732
240 HB2 HIS 35 1HB HIS 35 6.308 5.966 -1.056
241 HB3 HIS 35 2HB HIS 35 7.944 5.365 -1.308
242 HD1 HIS 35 HD1 HIS 35 8.742 3.767 0.888
243 HD2 HIS 35 HD2 HIS 35 4.703 4.057 -0.041
244 HE1 HIS 35 HE1 HIS 35 7.661 1.763 1.956
245 H THR 36 H THR 36 5.980 8.425 -0.262
246 HA THR 36 HA THR 36 7.361 9.800 -2.324
247 HB THR 36 HB THR 36 5.524 11.388 -2.295
248 HG1 THR 36 HG1 THR 36 4.168 11.568 -0.612
249 HG21 THR 36 3HG2 THR 36 5.267 8.632 -2.688
250 HG22 THR 36 1HG2 THR 36 4.209 9.898 -3.310
251 HG23 THR 36 2HG2 THR 36 3.833 9.107 -1.779
252 H GLY 37 H GLY 37 8.927 11.257 -2.142
253 HA2 GLY 37 1HA GLY 37 9.691 13.387 -1.327
254 HA3 GLY 37 2HA GLY 37 8.951 13.013 0.222
255 H GLU 38 H GLU 38 9.955 10.371 0.496
256 HA GLU 38 HA GLU 38 12.632 11.014 1.389
257 HB2 GLU 38 1HB GLU 38 10.822 9.616 2.633
258 HB3 GLU 38 2HB GLU 38 11.380 8.297 1.613
259 HG2 GLU 38 1HG GLU 38 12.670 7.986 3.470
260 HG3 GLU 38 2HG GLU 38 13.734 8.995 2.493
261 H LYS 39 H LYS 39 14.518 9.904 0.798
262 HA LYS 39 HA LYS 39 14.382 8.670 -1.867
263 HB2 LYS 39 1HB LYS 39 15.764 10.774 -1.488
264 HB3 LYS 39 2HB LYS 39 16.847 9.776 -0.525
265 HG2 LYS 39 1HG LYS 39 17.312 8.377 -2.449
266 HG3 LYS 39 2HG LYS 39 16.173 9.309 -3.424
267 HD2 LYS 39 1HD LYS 39 18.133 10.326 -4.026
268 HD3 LYS 39 2HD LYS 39 17.690 11.323 -2.638
269 HE2 LYS 39 1HE LYS 39 19.326 8.893 -2.145
270 HE3 LYS 39 2HE LYS 39 20.112 10.274 -2.908
271 HZ1 LYS 39 3HZ LYS 39 19.415 11.653 -1.054
272 HZ2 LYS 39 1HZ LYS 39 20.330 10.340 -0.503
273 HZ3 LYS 39 2HZ LYS 39 18.649 10.333 -0.324
274 HA PRO 40 HA PRO 40 15.504 4.781 -0.112
275 HB2 PRO 40 1HB PRO 40 16.382 3.571 -2.378
276 HB3 PRO 40 2HB PRO 40 14.669 3.850 -2.039
277 HG2 PRO 40 1HG PRO 40 16.540 5.425 -3.766
278 HG3 PRO 40 2HG PRO 40 14.862 4.945 -4.082
279 HD2 PRO 40 1HD PRO 40 15.532 7.429 -3.240
280 HD3 PRO 40 2HD PRO 40 13.999 6.652 -2.796
281 H SER 41 H SER 41 17.274 4.051 0.898
282 HA SER 41 HA SER 41 19.811 5.323 0.417
283 HB2 SER 41 1HB SER 41 18.768 3.367 2.440
284 HB3 SER 41 2HB SER 41 20.505 3.623 2.282
285 HG SER 41 HG SER 41 20.305 5.602 3.055
286 H GLY 42 H GLY 42 19.147 3.992 -1.862
287 HA2 GLY 42 1HA GLY 42 20.847 1.578 -1.810
288 HA3 GLY 42 2HA GLY 42 19.550 1.852 -2.963
289 HA PRO 43 HA PRO 43 23.711 3.118 -4.754
290 HB2 PRO 43 1HB PRO 43 23.702 1.354 -6.817
291 HB3 PRO 43 2HB PRO 43 24.380 0.973 -5.230
292 HG2 PRO 43 1HG PRO 43 21.707 0.253 -6.370
293 HG3 PRO 43 2HG PRO 43 22.831 -0.749 -5.433
294 HD2 PRO 43 1HD PRO 43 20.654 0.422 -4.328
295 HD3 PRO 43 2HD PRO 43 22.158 0.154 -3.423
296 H SER 44 H SER 44 22.812 5.069 -5.421
297 HA SER 44 HA SER 44 20.759 5.296 -7.355
298 HB2 SER 44 1HB SER 44 21.325 7.669 -7.410
299 HB3 SER 44 2HB SER 44 21.324 7.092 -5.744
300 HG SER 44 HG SER 44 23.713 6.750 -6.254
301 H SER 45 H SER 45 20.807 5.416 -9.528
302 HA SER 45 HA SER 45 23.351 5.743 -10.914
303 HB2 SER 45 1HB SER 45 23.131 3.308 -10.593
304 HB3 SER 45 2HB SER 45 21.553 3.351 -11.379
305 HG SER 45 HG SER 45 22.722 2.986 -13.100
306 H GLY 46 H GLY 46 23.094 6.157 -13.215
307 HA2 GLY 46 1HA GLY 46 20.378 6.824 -14.083
308 HA3 GLY 46 2HA GLY 46 21.556 8.126 -14.023
Start of MODEL 9
1 H1 GLY 1 H GLY 1 9.925 -24.744 -4.610
2 HA2 GLY 1 1HA GLY 1 9.086 -26.237 -2.414
3 HA3 GLY 1 2HA GLY 1 10.417 -25.230 -1.865
4 H SER 2 H SER 2 7.453 -25.255 -1.300
5 HA SER 2 HA SER 2 6.955 -22.421 -1.937
6 HB2 SER 2 1HB SER 2 4.627 -22.847 -2.172
7 HB3 SER 2 2HB SER 2 5.439 -24.109 -3.098
8 HG SER 2 HG SER 2 4.919 -25.577 -1.591
9 H SER 3 H SER 3 6.259 -21.104 -0.306
10 HA SER 3 HA SER 3 5.571 -22.241 2.282
11 HB2 SER 3 1HB SER 3 7.263 -20.958 3.492
12 HB3 SER 3 2HB SER 3 8.037 -22.042 2.337
13 HG SER 3 HG SER 3 7.858 -20.024 0.915
14 H GLY 4 H GLY 4 4.805 -20.582 3.814
15 HA2 GLY 4 1HA GLY 4 4.285 -17.921 2.937
16 HA3 GLY 4 2HA GLY 4 2.864 -18.936 2.736
17 H SER 5 H SER 5 4.385 -16.852 4.788
18 HA SER 5 HA SER 5 3.210 -18.080 7.190
19 HB2 SER 5 1HB SER 5 5.503 -16.191 6.772
20 HB3 SER 5 2HB SER 5 4.659 -16.213 8.321
21 HG SER 5 HG SER 5 6.364 -17.665 8.399
22 H SER 6 H SER 6 1.480 -16.870 5.388
23 HA SER 6 HA SER 6 0.181 -14.977 7.074
24 HB2 SER 6 1HB SER 6 1.861 -13.478 6.071
25 HB3 SER 6 2HB SER 6 1.302 -13.933 4.461
26 HG SER 6 HG SER 6 0.079 -12.323 6.390
27 H GLY 7 H GLY 7 -1.966 -14.653 6.505
28 HA2 GLY 7 1HA GLY 7 -3.124 -15.146 4.014
29 HA3 GLY 7 2HA GLY 7 -3.155 -16.659 4.907
30 H THR 8 H THR 8 -3.569 -13.336 6.076
31 HA THR 8 HA THR 8 -6.128 -14.160 7.253
32 HB THR 8 HB THR 8 -4.440 -13.210 8.792
33 HG1 THR 8 HG1 THR 8 -6.491 -11.287 8.634
34 HG21 THR 8 3HG2 THR 8 -3.659 -11.562 6.905
35 HG22 THR 8 1HG2 THR 8 -3.555 -11.089 8.600
36 HG23 THR 8 2HG2 THR 8 -4.888 -10.507 7.602
37 H GLY 9 H GLY 9 -6.102 -13.655 4.488
38 HA2 GLY 9 1HA GLY 9 -7.671 -12.647 3.087
39 HA3 GLY 9 2HA GLY 9 -8.076 -11.531 4.383
40 H GLU 10 H GLU 10 -6.663 -11.790 1.401
41 HA GLU 10 HA GLU 10 -4.791 -9.581 1.817
42 HB2 GLU 10 1HB GLU 10 -5.307 -11.286 -0.627
43 HB3 GLU 10 2HB GLU 10 -4.080 -10.033 -0.506
44 HG2 GLU 10 1HG GLU 10 -2.744 -11.278 0.883
45 HG3 GLU 10 2HG GLU 10 -4.087 -12.254 1.476
46 H LYS 11 H LYS 11 -5.306 -7.552 1.347
47 HA LYS 11 HA LYS 11 -7.810 -7.033 -0.080
48 HB2 LYS 11 1HB LYS 11 -6.091 -5.342 1.729
49 HB3 LYS 11 2HB LYS 11 -7.413 -4.665 0.786
50 HG2 LYS 11 1HG LYS 11 -8.360 -5.052 2.867
51 HG3 LYS 11 2HG LYS 11 -8.869 -6.449 1.916
52 HD2 LYS 11 1HD LYS 11 -6.931 -7.706 2.866
53 HD3 LYS 11 2HD LYS 11 -6.621 -6.327 3.924
54 HE2 LYS 11 1HE LYS 11 -9.280 -7.728 3.830
55 HE3 LYS 11 2HE LYS 11 -7.977 -8.246 4.898
56 HZ1 LYS 11 3HZ LYS 11 -9.822 -6.456 5.582
57 HZ2 LYS 11 1HZ LYS 11 -8.624 -5.420 4.986
58 HZ3 LYS 11 2HZ LYS 11 -8.267 -6.489 6.246
59 HA PRO 12 HA PRO 12 -5.819 -5.580 -3.717
60 HB2 PRO 12 1HB PRO 12 -7.619 -3.729 -4.556
61 HB3 PRO 12 2HB PRO 12 -7.912 -5.469 -4.659
62 HG2 PRO 12 1HG PRO 12 -8.871 -3.504 -2.615
63 HG3 PRO 12 2HG PRO 12 -9.759 -4.821 -3.405
64 HD2 PRO 12 1HD PRO 12 -8.749 -5.041 -0.902
65 HD3 PRO 12 2HD PRO 12 -8.874 -6.425 -2.007
66 H TYR 13 H TYR 13 -6.236 -3.652 -0.984
67 HA TYR 13 HA TYR 13 -4.966 -1.304 -2.177
68 HB2 TYR 13 1HB TYR 13 -6.031 -1.725 0.624
69 HB3 TYR 13 2HB TYR 13 -5.429 -0.206 -0.030
70 HD1 TYR 13 HD2 TYR 13 -7.956 -2.833 -0.873
71 HD2 TYR 13 HD1 TYR 13 -6.993 1.310 -0.782
72 HE1 TYR 13 HE2 TYR 13 -10.215 -2.296 -1.685
73 HE2 TYR 13 HE1 TYR 13 -9.249 1.859 -1.592
74 HH TYR 13 HH TYR 13 -11.495 -0.639 -2.606
75 H LYS 14 H LYS 14 -3.207 -3.256 -2.320
76 HA LYS 14 HA LYS 14 -1.512 -3.185 0.065
77 HB2 LYS 14 1HB LYS 14 -1.688 -5.386 -0.699
78 HB3 LYS 14 2HB LYS 14 -1.597 -4.909 -2.390
79 HG2 LYS 14 1HG LYS 14 0.749 -4.448 -2.193
80 HG3 LYS 14 2HG LYS 14 0.698 -4.728 -0.451
81 HD2 LYS 14 1HD LYS 14 -0.240 -6.904 -2.247
82 HD3 LYS 14 2HD LYS 14 1.496 -6.602 -2.147
83 HE2 LYS 14 1HE LYS 14 1.435 -6.893 0.259
84 HE3 LYS 14 2HE LYS 14 -0.315 -7.097 0.214
85 HZ1 LYS 14 3HZ LYS 14 1.141 -8.900 -1.506
86 HZ2 LYS 14 1HZ LYS 14 -0.128 -9.215 -0.431
87 HZ3 LYS 14 2HZ LYS 14 1.459 -9.111 0.142
88 H CYS 15 H CYS 15 0.210 -1.906 0.203
89 HA CYS 15 HA CYS 15 0.841 0.011 -1.741
90 HB2 CYS 15 1HB CYS 15 1.363 0.298 0.641
91 HB3 CYS 15 2HB CYS 15 2.546 -1.002 0.544
92 H ASN 16 H ASN 16 2.201 0.045 -3.432
93 HA ASN 16 HA ASN 16 3.553 -2.449 -4.124
94 HB2 ASN 16 1HB ASN 16 2.756 -0.003 -5.682
95 HB3 ASN 16 2HB ASN 16 3.920 -1.152 -6.337
96 HD21 ASN 16 1HD2 ASN 16 0.626 -0.524 -5.612
97 HD22 ASN 16 2HD2 ASN 16 -0.030 -1.969 -6.295
98 H GLU 17 H GLU 17 4.528 -0.459 -2.091
99 HA GLU 17 HA GLU 17 7.150 0.106 -3.312
100 HB2 GLU 17 1HB GLU 17 5.840 1.545 -0.998
101 HB3 GLU 17 2HB GLU 17 7.402 1.932 -1.707
102 HG2 GLU 17 1HG GLU 17 5.023 1.921 -3.482
103 HG3 GLU 17 2HG GLU 17 5.216 3.255 -2.346
104 H CYS 18 H CYS 18 5.491 -0.893 -0.347
105 HA CYS 18 HA CYS 18 8.006 -2.146 0.546
106 HB2 CYS 18 1HB CYS 18 7.081 -1.963 2.855
107 HB3 CYS 18 2HB CYS 18 7.364 -0.404 2.088
108 H GLY 19 H GLY 19 4.492 -2.496 0.344
109 HA2 GLY 19 1HA GLY 19 3.684 -4.680 -0.450
110 HA3 GLY 19 2HA GLY 19 4.873 -5.415 0.615
111 H LYS 20 H LYS 20 3.212 -2.654 1.808
112 HA LYS 20 HA LYS 20 2.016 -4.214 3.906
113 HB2 LYS 20 1HB LYS 20 3.002 -1.757 3.926
114 HB3 LYS 20 2HB LYS 20 1.351 -1.332 3.493
115 HG2 LYS 20 1HG LYS 20 0.488 -2.136 5.504
116 HG3 LYS 20 2HG LYS 20 1.937 -3.083 5.851
117 HD2 LYS 20 1HD LYS 20 3.188 -1.155 6.390
118 HD3 LYS 20 2HD LYS 20 1.979 -0.080 5.684
119 HE2 LYS 20 1HE LYS 20 1.475 0.162 7.900
120 HE3 LYS 20 2HE LYS 20 0.427 -1.198 7.500
121 HZ1 LYS 20 3HZ LYS 20 2.090 -1.221 9.553
122 HZ2 LYS 20 1HZ LYS 20 3.128 -1.848 8.373
123 HZ3 LYS 20 2HZ LYS 20 1.664 -2.625 8.711
124 H VAL 21 H VAL 21 -0.286 -3.959 4.506
125 HA VAL 21 HA VAL 21 -2.029 -3.670 2.149
126 HB VAL 21 HB VAL 21 -2.250 -5.800 4.281
127 HG11 VAL 21 1HG1 VAL 21 -4.140 -4.775 2.266
128 HG12 VAL 21 2HG1 VAL 21 -4.008 -6.531 2.377
129 HG13 VAL 21 3HG1 VAL 21 -4.445 -5.586 3.801
130 HG21 VAL 21 3HG2 VAL 21 -0.511 -6.378 2.753
131 HG22 VAL 21 1HG2 VAL 21 -1.930 -7.334 2.325
132 HG23 VAL 21 2HG2 VAL 21 -1.499 -5.919 1.365
133 H PHE 22 H PHE 22 -4.114 -2.886 2.527
134 HA PHE 22 HA PHE 22 -4.759 -2.029 5.250
135 HB2 PHE 22 1HB PHE 22 -4.902 -0.158 2.879
136 HB3 PHE 22 2HB PHE 22 -5.274 0.231 4.555
137 HD1 PHE 22 HD2 PHE 22 -2.587 -0.498 2.164
138 HD2 PHE 22 HD1 PHE 22 -3.545 0.700 6.134
139 HE1 PHE 22 HE2 PHE 22 -0.251 0.189 2.517
140 HE2 PHE 22 HE1 PHE 22 -1.210 1.390 6.493
141 HZ PHE 22 HZ PHE 22 0.440 1.133 4.683
142 H THR 23 H THR 23 -7.046 -0.839 5.083
143 HA THR 23 HA THR 23 -8.769 -2.646 3.516
144 HB THR 23 HB THR 23 -9.508 -1.202 6.067
145 HG1 THR 23 HG1 THR 23 -9.437 -3.594 6.746
146 HG21 THR 23 3HG2 THR 23 -11.495 -2.471 6.052
147 HG22 THR 23 1HG2 THR 23 -10.895 -3.548 4.791
148 HG23 THR 23 2HG2 THR 23 -11.317 -1.881 4.400
149 H GLN 24 H GLN 24 -8.342 0.677 4.641
150 HA GLN 24 HA GLN 24 -10.361 1.549 2.686
151 HB2 GLN 24 1HB GLN 24 -10.658 2.154 5.131
152 HB3 GLN 24 2HB GLN 24 -9.242 3.183 4.962
153 HG2 GLN 24 1HG GLN 24 -11.043 4.627 4.688
154 HG3 GLN 24 2HG GLN 24 -10.494 4.301 3.045
155 HE21 GLN 24 1HE2 GLN 24 -13.040 5.262 3.677
156 HE22 GLN 24 2HE2 GLN 24 -14.202 4.059 3.247
157 H ASN 25 H ASN 25 -9.858 3.028 1.125
158 HA ASN 25 HA ASN 25 -7.350 3.129 0.032
159 HB2 ASN 25 1HB ASN 25 -9.128 3.862 -1.328
160 HB3 ASN 25 2HB ASN 25 -9.660 5.051 -0.143
161 HD21 ASN 25 1HD2 ASN 25 -9.542 6.861 -1.336
162 HD22 ASN 25 2HD2 ASN 25 -8.087 7.480 -2.033
163 H SER 26 H SER 26 -8.811 5.574 2.168
164 HA SER 26 HA SER 26 -6.781 7.419 2.258
165 HB2 SER 26 1HB SER 26 -8.646 6.501 4.452
166 HB3 SER 26 2HB SER 26 -7.572 7.889 4.621
167 HG SER 26 HG SER 26 -9.947 7.935 3.626
168 H HIS 27 H HIS 27 -7.153 4.602 4.409
169 HA HIS 27 HA HIS 27 -4.882 4.915 5.943
170 HB2 HIS 27 1HB HIS 27 -5.940 2.261 4.956
171 HB3 HIS 27 2HB HIS 27 -5.015 2.554 6.425
172 HD1 HIS 27 HD1 HIS 27 -7.732 1.178 6.606
173 HD2 HIS 27 HD2 HIS 27 -7.202 5.284 6.951
174 HE1 HIS 27 HE1 HIS 27 -9.731 2.009 7.887
175 H LEU 28 H LEU 28 -5.197 3.554 2.711
176 HA LEU 28 HA LEU 28 -2.456 2.696 2.582
177 HB2 LEU 28 1HB LEU 28 -3.883 1.428 1.257
178 HB3 LEU 28 2HB LEU 28 -4.727 2.847 0.640
179 HG LEU 28 HG LEU 28 -2.864 3.384 -0.797
180 HD11 LEU 28 1HD1 LEU 28 -1.332 0.950 -0.378
181 HD12 LEU 28 2HD1 LEU 28 -1.334 2.010 1.031
182 HD13 LEU 28 3HD1 LEU 28 -0.788 2.620 -0.531
183 HD21 LEU 28 3HD2 LEU 28 -3.636 0.473 -0.962
184 HD22 LEU 28 1HD2 LEU 28 -2.892 1.406 -2.261
185 HD23 LEU 28 2HD2 LEU 28 -4.501 1.834 -1.679
186 H ALA 29 H ALA 29 -4.219 5.006 0.514
187 HA ALA 29 HA ALA 29 -2.165 6.275 -0.698
188 HB1 ALA 29 3HB ALA 29 -4.828 6.749 -0.514
189 HB2 ALA 29 1HB ALA 29 -4.174 8.164 0.310
190 HB3 ALA 29 2HB ALA 29 -3.682 7.800 -1.345
191 H ARG 30 H ARG 30 -3.433 7.110 2.521
192 HA ARG 30 HA ARG 30 -1.682 9.232 3.045
193 HB2 ARG 30 1HB ARG 30 -2.462 9.167 5.241
194 HB3 ARG 30 2HB ARG 30 -3.790 8.462 4.329
195 HG2 ARG 30 1HG ARG 30 -3.033 6.225 4.948
196 HG3 ARG 30 2HG ARG 30 -1.694 6.930 5.856
197 HD2 ARG 30 1HD ARG 30 -4.628 7.369 6.406
198 HD3 ARG 30 2HD ARG 30 -3.558 6.306 7.319
199 HE ARG 30 HE ARG 30 -3.709 9.182 7.482
200 HH11 ARG 30 1HH1 ARG 30 -1.788 6.346 8.104
201 HH12 ARG 30 2HH1 ARG 30 -0.831 7.104 9.333
202 HH21 ARG 30 1HH2 ARG 30 -2.456 10.191 9.099
203 HH22 ARG 30 2HH2 ARG 30 -1.212 9.291 9.899
204 H HIS 31 H HIS 31 -1.344 5.760 3.536
205 HA HIS 31 HA HIS 31 1.039 5.849 5.051
206 HB2 HIS 31 1HB HIS 31 0.038 3.781 5.198
207 HB3 HIS 31 2HB HIS 31 -0.418 3.762 3.497
208 HD1 HIS 31 HD1 HIS 31 2.585 3.207 5.721
209 HD2 HIS 31 HD2 HIS 31 1.318 2.432 1.841
210 HE1 HIS 31 HE1 HIS 31 4.328 1.684 4.737
211 H ARG 32 H ARG 32 0.463 5.396 1.572
212 HA ARG 32 HA ARG 32 3.014 4.977 0.672
213 HB2 ARG 32 1HB ARG 32 0.750 6.545 -0.551
214 HB3 ARG 32 2HB ARG 32 2.264 6.272 -1.403
215 HG2 ARG 32 1HG ARG 32 1.860 4.040 -1.695
216 HG3 ARG 32 2HG ARG 32 0.830 3.929 -0.266
217 HD2 ARG 32 1HD ARG 32 -1.025 4.697 -1.376
218 HD3 ARG 32 2HD ARG 32 -0.076 5.610 -2.549
219 HE ARG 32 HE ARG 32 -0.895 2.857 -2.741
220 HH11 ARG 32 1HH1 ARG 32 1.380 5.264 -3.814
221 HH12 ARG 32 2HH1 ARG 32 1.760 4.436 -5.288
222 HH21 ARG 32 1HH2 ARG 32 -0.403 1.757 -4.679
223 HH22 ARG 32 2HH2 ARG 32 0.744 2.442 -5.779
224 H GLY 33 H GLY 33 1.742 7.829 2.113
225 HA2 GLY 33 1HA GLY 33 3.348 9.828 1.040
226 HA3 GLY 33 2HA GLY 33 2.725 9.823 2.683
227 H ILE 34 H ILE 34 4.154 7.335 3.356
228 HA ILE 34 HA ILE 34 6.515 8.481 4.380
229 HB ILE 34 HB ILE 34 7.092 6.294 5.181
230 HG12 ILE 34 1HG1 ILE 34 4.993 5.271 3.258
231 HG13 ILE 34 2HG1 ILE 34 6.729 5.003 3.152
232 HG21 ILE 34 1HG2 ILE 34 4.801 5.580 6.127
233 HG22 ILE 34 2HG2 ILE 34 5.419 7.182 6.524
234 HG23 ILE 34 3HG2 ILE 34 4.184 6.997 5.278
235 HD11 ILE 34 3HD1 ILE 34 6.481 3.879 5.446
236 HD12 ILE 34 1HD1 ILE 34 4.758 3.835 5.071
237 HD13 ILE 34 2HD1 ILE 34 5.912 3.017 4.017
238 H HIS 35 H HIS 35 5.843 6.651 1.472
239 HA HIS 35 HA HIS 35 8.650 6.345 0.820
240 HB2 HIS 35 1HB HIS 35 6.232 5.745 -0.894
241 HB3 HIS 35 2HB HIS 35 7.880 5.183 -1.161
242 HD1 HIS 35 HD1 HIS 35 8.791 3.713 1.069
243 HD2 HIS 35 HD2 HIS 35 4.714 3.861 0.287
244 HE1 HIS 35 HE1 HIS 35 7.804 1.741 2.277
245 H THR 36 H THR 36 5.918 8.337 -0.145
246 HA THR 36 HA THR 36 7.419 9.645 -2.247
247 HB THR 36 HB THR 36 5.417 11.024 -2.567
248 HG1 THR 36 HG1 THR 36 4.830 11.011 -0.272
249 HG21 THR 36 3HG2 THR 36 5.499 8.846 -3.660
250 HG22 THR 36 1HG2 THR 36 3.847 9.232 -3.180
251 HG23 THR 36 2HG2 THR 36 4.795 8.086 -2.232
252 H GLY 37 H GLY 37 9.162 10.451 -0.916
253 HA2 GLY 37 1HA GLY 37 8.503 13.070 0.199
254 HA3 GLY 37 2HA GLY 37 9.289 11.925 1.277
255 H GLU 38 H GLU 38 11.459 11.594 1.126
256 HA GLU 38 HA GLU 38 12.940 13.509 -0.453
257 HB2 GLU 38 1HB GLU 38 13.405 12.726 1.990
258 HB3 GLU 38 2HB GLU 38 14.207 11.365 1.218
259 HG2 GLU 38 1HG GLU 38 15.684 13.287 1.869
260 HG3 GLU 38 2HG GLU 38 15.806 12.755 0.193
261 H LYS 39 H LYS 39 12.478 12.712 -2.565
262 HA LYS 39 HA LYS 39 13.778 10.162 -3.242
263 HB2 LYS 39 1HB LYS 39 11.680 9.922 -4.124
264 HB3 LYS 39 2HB LYS 39 11.460 11.652 -4.352
265 HG2 LYS 39 1HG LYS 39 12.701 11.647 -6.356
266 HG3 LYS 39 2HG LYS 39 13.329 10.026 -6.050
267 HD2 LYS 39 1HD LYS 39 10.386 10.534 -6.356
268 HD3 LYS 39 2HD LYS 39 11.427 10.287 -7.760
269 HE2 LYS 39 1HE LYS 39 12.099 8.117 -6.915
270 HE3 LYS 39 2HE LYS 39 11.157 8.370 -5.446
271 HZ1 LYS 39 3HZ LYS 39 10.207 7.843 -8.183
272 HZ2 LYS 39 1HZ LYS 39 9.205 8.644 -7.080
273 HZ3 LYS 39 2HZ LYS 39 9.765 7.086 -6.736
274 HA PRO 40 HA PRO 40 17.039 12.391 -5.210
275 HB2 PRO 40 1HB PRO 40 18.015 10.371 -6.738
276 HB3 PRO 40 2HB PRO 40 18.272 10.465 -4.992
277 HG2 PRO 40 1HG PRO 40 16.270 8.854 -6.527
278 HG3 PRO 40 2HG PRO 40 17.266 8.374 -5.141
279 HD2 PRO 40 1HD PRO 40 14.661 9.069 -4.891
280 HD3 PRO 40 2HD PRO 40 15.859 9.383 -3.619
281 H SER 41 H SER 41 17.972 12.496 -7.570
282 HA SER 41 HA SER 41 16.188 13.789 -9.196
283 HB2 SER 41 1HB SER 41 18.578 12.191 -10.145
284 HB3 SER 41 2HB SER 41 17.800 13.516 -11.010
285 HG SER 41 HG SER 41 19.404 14.526 -9.994
286 H GLY 42 H GLY 42 17.343 10.455 -9.761
287 HA2 GLY 42 1HA GLY 42 16.430 8.780 -11.066
288 HA3 GLY 42 2HA GLY 42 14.998 9.142 -10.113
289 HA PRO 43 HA PRO 43 13.844 9.759 -14.528
290 HB2 PRO 43 1HB PRO 43 11.371 8.672 -14.258
291 HB3 PRO 43 2HB PRO 43 12.817 7.704 -14.572
292 HG2 PRO 43 1HG PRO 43 11.401 8.211 -11.983
293 HG3 PRO 43 2HG PRO 43 12.070 6.695 -12.615
294 HD2 PRO 43 1HD PRO 43 13.360 8.199 -10.769
295 HD3 PRO 43 2HD PRO 43 14.221 7.235 -11.987
296 H SER 44 H SER 44 12.126 11.063 -15.438
297 HA SER 44 HA SER 44 11.530 13.340 -13.849
298 HB2 SER 44 1HB SER 44 10.612 12.490 -16.600
299 HB3 SER 44 2HB SER 44 10.165 14.031 -15.867
300 HG SER 44 HG SER 44 11.972 14.475 -17.001
301 H SER 45 H SER 45 10.305 12.664 -12.086
302 HA SER 45 HA SER 45 8.092 11.034 -12.048
303 HB2 SER 45 1HB SER 45 7.415 12.205 -10.002
304 HB3 SER 45 2HB SER 45 9.160 11.949 -10.022
305 HG SER 45 HG SER 45 8.511 14.096 -9.396
306 H GLY 46 H GLY 46 6.145 11.117 -12.948
307 HA2 GLY 46 1HA GLY 46 5.314 13.446 -14.419
308 HA3 GLY 46 2HA GLY 46 4.438 11.929 -14.283
Start of MODEL 10
1 H1 GLY 1 H GLY 1 9.989 -28.637 8.733
2 HA2 GLY 1 1HA GLY 1 9.971 -27.062 6.525
3 HA3 GLY 1 2HA GLY 1 8.903 -28.382 6.072
4 H SER 2 H SER 2 8.208 -25.604 6.364
5 HA SER 2 HA SER 2 6.403 -25.726 8.688
6 HB2 SER 2 1HB SER 2 7.520 -23.340 7.201
7 HB3 SER 2 2HB SER 2 6.280 -23.229 8.449
8 HG SER 2 HG SER 2 7.720 -23.818 9.959
9 H SER 3 H SER 3 4.399 -24.218 8.254
10 HA SER 3 HA SER 3 3.348 -24.800 5.567
11 HB2 SER 3 1HB SER 3 1.301 -25.598 6.424
12 HB3 SER 3 2HB SER 3 2.522 -26.362 7.441
13 HG SER 3 HG SER 3 0.529 -24.717 8.154
14 H GLY 4 H GLY 4 1.188 -23.553 5.252
15 HA2 GLY 4 1HA GLY 4 1.790 -20.761 5.829
16 HA3 GLY 4 2HA GLY 4 0.588 -21.356 4.693
17 H SER 5 H SER 5 0.839 -19.602 7.360
18 HA SER 5 HA SER 5 -1.060 -20.718 9.131
19 HB2 SER 5 1HB SER 5 0.631 -18.859 9.612
20 HB3 SER 5 2HB SER 5 -0.512 -17.765 8.833
21 HG SER 5 HG SER 5 -1.440 -19.473 10.848
22 H SER 6 H SER 6 -1.407 -17.950 6.904
23 HA SER 6 HA SER 6 -4.007 -18.823 6.059
24 HB2 SER 6 1HB SER 6 -3.741 -16.445 7.902
25 HB3 SER 6 2HB SER 6 -5.136 -16.688 6.852
26 HG SER 6 HG SER 6 -5.739 -17.674 8.674
27 H GLY 7 H GLY 7 -5.065 -16.939 4.722
28 HA2 GLY 7 1HA GLY 7 -3.597 -14.857 3.636
29 HA3 GLY 7 2HA GLY 7 -3.199 -16.276 2.679
30 H THR 8 H THR 8 -6.272 -15.286 4.161
31 HA THR 8 HA THR 8 -7.576 -15.676 1.576
32 HB THR 8 HB THR 8 -8.580 -16.776 3.531
33 HG1 THR 8 HG1 THR 8 -9.872 -15.842 1.729
34 HG21 THR 8 3HG2 THR 8 -7.932 -14.516 4.911
35 HG22 THR 8 1HG2 THR 8 -9.062 -15.746 5.475
36 HG23 THR 8 2HG2 THR 8 -9.665 -14.297 4.670
37 H GLY 9 H GLY 9 -6.692 -13.164 3.804
38 HA2 GLY 9 1HA GLY 9 -8.492 -11.170 2.868
39 HA3 GLY 9 2HA GLY 9 -7.021 -10.887 3.787
40 H GLU 10 H GLU 10 -5.145 -10.326 2.737
41 HA GLU 10 HA GLU 10 -3.853 -9.414 1.102
42 HB2 GLU 10 1HB GLU 10 -4.435 -11.836 0.199
43 HB3 GLU 10 2HB GLU 10 -5.314 -10.922 -1.018
44 HG2 GLU 10 1HG GLU 10 -3.098 -9.615 -1.286
45 HG3 GLU 10 2HG GLU 10 -2.380 -11.005 -0.473
46 H LYS 11 H LYS 11 -6.002 -7.879 1.850
47 HA LYS 11 HA LYS 11 -7.845 -6.963 0.114
48 HB2 LYS 11 1HB LYS 11 -6.103 -5.586 2.095
49 HB3 LYS 11 2HB LYS 11 -7.028 -4.576 0.993
50 HG2 LYS 11 1HG LYS 11 -8.386 -4.784 2.873
51 HG3 LYS 11 2HG LYS 11 -9.058 -5.941 1.722
52 HD2 LYS 11 1HD LYS 11 -7.976 -7.769 2.841
53 HD3 LYS 11 2HD LYS 11 -7.095 -6.662 3.896
54 HE2 LYS 11 1HE LYS 11 -9.456 -5.856 4.600
55 HE3 LYS 11 2HE LYS 11 -10.003 -7.381 3.905
56 HZ1 LYS 11 3HZ LYS 11 -9.637 -7.932 6.094
57 HZ2 LYS 11 1HZ LYS 11 -8.286 -6.925 6.251
58 HZ3 LYS 11 2HZ LYS 11 -8.163 -8.378 5.394
59 HA PRO 12 HA PRO 12 -5.845 -5.611 -3.566
60 HB2 PRO 12 1HB PRO 12 -7.726 -3.877 -4.474
61 HB3 PRO 12 2HB PRO 12 -7.931 -5.631 -4.530
62 HG2 PRO 12 1HG PRO 12 -9.008 -3.661 -2.550
63 HG3 PRO 12 2HG PRO 12 -9.821 -5.042 -3.310
64 HD2 PRO 12 1HD PRO 12 -8.827 -5.142 -0.794
65 HD3 PRO 12 2HD PRO 12 -8.871 -6.561 -1.860
66 H TYR 13 H TYR 13 -6.192 -3.735 -0.854
67 HA TYR 13 HA TYR 13 -5.123 -1.309 -2.106
68 HB2 TYR 13 1HB TYR 13 -6.123 -1.768 0.712
69 HB3 TYR 13 2HB TYR 13 -5.576 -0.226 0.062
70 HD1 TYR 13 HD2 TYR 13 -8.036 -2.925 -0.749
71 HD2 TYR 13 HD1 TYR 13 -7.186 1.243 -0.688
72 HE1 TYR 13 HE2 TYR 13 -10.318 -2.454 -1.535
73 HE2 TYR 13 HE1 TYR 13 -9.466 1.726 -1.473
74 HH TYR 13 HH TYR 13 -11.273 0.577 -2.700
75 H LYS 14 H LYS 14 -3.336 -3.336 -2.176
76 HA LYS 14 HA LYS 14 -1.584 -3.139 0.138
77 HB2 LYS 14 1HB LYS 14 -1.630 -5.327 -0.657
78 HB3 LYS 14 2HB LYS 14 -1.638 -4.821 -2.341
79 HG2 LYS 14 1HG LYS 14 0.693 -4.175 -2.188
80 HG3 LYS 14 2HG LYS 14 0.714 -4.594 -0.473
81 HD2 LYS 14 1HD LYS 14 -0.121 -6.651 -2.468
82 HD3 LYS 14 2HD LYS 14 1.595 -6.285 -2.274
83 HE2 LYS 14 1HE LYS 14 1.397 -7.937 -0.718
84 HE3 LYS 14 2HE LYS 14 0.978 -6.552 0.289
85 HZ1 LYS 14 3HZ LYS 14 -1.065 -8.155 -1.135
86 HZ2 LYS 14 1HZ LYS 14 -1.298 -7.050 0.125
87 HZ3 LYS 14 2HZ LYS 14 -0.544 -8.533 0.430
88 H CYS 15 H CYS 15 0.509 -2.308 0.094
89 HA CYS 15 HA CYS 15 0.928 -0.236 -1.911
90 HB2 CYS 15 1HB CYS 15 1.155 0.347 0.470
91 HB3 CYS 15 2HB CYS 15 2.450 -0.835 0.635
92 H ASN 16 H ASN 16 2.111 -0.633 -3.649
93 HA ASN 16 HA ASN 16 3.695 -2.974 -3.939
94 HB2 ASN 16 1HB ASN 16 2.483 -1.639 -5.770
95 HB3 ASN 16 2HB ASN 16 3.868 -0.552 -5.723
96 HD21 ASN 16 1HD2 ASN 16 2.620 -3.478 -6.890
97 HD22 ASN 16 2HD2 ASN 16 4.049 -4.052 -7.675
98 H GLU 17 H GLU 17 4.369 0.318 -3.013
99 HA GLU 17 HA GLU 17 7.100 0.469 -3.481
100 HB2 GLU 17 1HB GLU 17 5.657 1.613 -1.086
101 HB3 GLU 17 2HB GLU 17 7.169 2.185 -1.776
102 HG2 GLU 17 1HG GLU 17 4.568 2.179 -3.280
103 HG3 GLU 17 2HG GLU 17 5.137 3.546 -2.323
104 H CYS 18 H CYS 18 5.454 -0.611 -0.510
105 HA CYS 18 HA CYS 18 7.958 -1.939 0.291
106 HB2 CYS 18 1HB CYS 18 6.978 -1.892 2.603
107 HB3 CYS 18 2HB CYS 18 7.327 -0.304 1.927
108 H GLY 19 H GLY 19 4.417 -2.316 0.382
109 HA2 GLY 19 1HA GLY 19 3.630 -4.475 -0.617
110 HA3 GLY 19 2HA GLY 19 4.844 -5.241 0.397
111 H LYS 20 H LYS 20 3.197 -2.556 1.754
112 HA LYS 20 HA LYS 20 2.050 -4.211 3.800
113 HB2 LYS 20 1HB LYS 20 2.991 -1.734 3.883
114 HB3 LYS 20 2HB LYS 20 1.320 -1.332 3.511
115 HG2 LYS 20 1HG LYS 20 0.543 -2.077 5.531
116 HG3 LYS 20 2HG LYS 20 1.873 -3.218 5.745
117 HD2 LYS 20 1HD LYS 20 3.400 -1.405 6.227
118 HD3 LYS 20 2HD LYS 20 2.139 -0.215 5.894
119 HE2 LYS 20 1HE LYS 20 1.980 -0.297 8.166
120 HE3 LYS 20 2HE LYS 20 0.859 -1.593 7.756
121 HZ1 LYS 20 3HZ LYS 20 2.249 -3.169 8.541
122 HZ2 LYS 20 1HZ LYS 20 2.830 -1.893 9.489
123 HZ3 LYS 20 2HZ LYS 20 3.653 -2.343 8.081
124 H VAL 21 H VAL 21 -0.293 -3.695 4.491
125 HA VAL 21 HA VAL 21 -2.044 -3.554 2.131
126 HB VAL 21 HB VAL 21 -2.212 -5.578 4.365
127 HG11 VAL 21 1HG1 VAL 21 -4.221 -6.406 3.099
128 HG12 VAL 21 2HG1 VAL 21 -4.443 -4.872 3.942
129 HG13 VAL 21 3HG1 VAL 21 -4.186 -4.891 2.197
130 HG21 VAL 21 3HG2 VAL 21 -0.713 -6.439 2.821
131 HG22 VAL 21 1HG2 VAL 21 -2.249 -7.106 2.268
132 HG23 VAL 21 2HG2 VAL 21 -1.548 -5.710 1.450
133 H PHE 22 H PHE 22 -4.241 -2.928 2.590
134 HA PHE 22 HA PHE 22 -4.824 -1.859 5.224
135 HB2 PHE 22 1HB PHE 22 -4.777 -0.059 2.792
136 HB3 PHE 22 2HB PHE 22 -5.307 0.400 4.407
137 HD1 PHE 22 HD1 PHE 22 -3.671 0.587 6.239
138 HD2 PHE 22 HD2 PHE 22 -2.473 -0.150 2.222
139 HE1 PHE 22 HE1 PHE 22 -1.371 1.251 6.807
140 HE2 PHE 22 HE2 PHE 22 -0.171 0.511 2.784
141 HZ PHE 22 HZ PHE 22 0.383 1.212 5.079
142 H THR 23 H THR 23 -7.057 -1.193 5.458
143 HA THR 23 HA THR 23 -8.805 -2.548 3.514
144 HB THR 23 HB THR 23 -9.493 -1.902 6.382
145 HG1 THR 23 HG1 THR 23 -9.091 -4.243 6.627
146 HG21 THR 23 3HG2 THR 23 -11.509 -2.732 5.913
147 HG22 THR 23 1HG2 THR 23 -10.803 -4.181 5.200
148 HG23 THR 23 2HG2 THR 23 -11.048 -2.742 4.211
149 H GLN 24 H GLN 24 -7.786 0.273 3.483
150 HA GLN 24 HA GLN 24 -10.206 1.519 2.678
151 HB2 GLN 24 1HB GLN 24 -10.030 3.429 4.345
152 HB3 GLN 24 2HB GLN 24 -10.672 1.912 4.960
153 HG2 GLN 24 1HG GLN 24 -8.130 1.512 5.574
154 HG3 GLN 24 2HG GLN 24 -8.111 3.275 5.560
155 HE21 GLN 24 1HE2 GLN 24 -9.041 0.459 7.245
156 HE22 GLN 24 2HE2 GLN 24 -9.776 1.234 8.603
157 H ASN 25 H ASN 25 -9.571 2.605 0.947
158 HA ASN 25 HA ASN 25 -7.131 3.118 -0.005
159 HB2 ASN 25 1HB ASN 25 -8.073 5.165 -1.135
160 HB3 ASN 25 2HB ASN 25 -9.044 3.707 -1.319
161 HD21 ASN 25 1HD2 ASN 25 -11.005 3.537 -0.225
162 HD22 ASN 25 2HD2 ASN 25 -11.807 4.921 0.428
163 H SER 26 H SER 26 -8.871 5.469 2.037
164 HA SER 26 HA SER 26 -7.045 7.457 2.267
165 HB2 SER 26 1HB SER 26 -9.238 7.464 3.401
166 HB3 SER 26 2HB SER 26 -8.629 6.294 4.573
167 HG SER 26 HG SER 26 -7.873 7.926 5.637
168 H HIS 27 H HIS 27 -7.086 4.521 4.283
169 HA HIS 27 HA HIS 27 -4.787 5.086 5.770
170 HB2 HIS 27 1HB HIS 27 -6.256 2.575 5.069
171 HB3 HIS 27 2HB HIS 27 -4.692 2.458 5.869
172 HD1 HIS 27 HD1 HIS 27 -5.878 1.458 7.967
173 HD2 HIS 27 HD2 HIS 27 -7.015 5.340 7.018
174 HE1 HIS 27 HE1 HIS 27 -7.094 2.317 9.994
175 H LEU 28 H LEU 28 -5.184 3.479 2.652
176 HA LEU 28 HA LEU 28 -2.459 2.705 2.387
177 HB2 LEU 28 1HB LEU 28 -3.989 1.494 1.096
178 HB3 LEU 28 2HB LEU 28 -4.760 2.955 0.482
179 HG LEU 28 HG LEU 28 -2.824 3.408 -0.924
180 HD11 LEU 28 1HD1 LEU 28 -1.568 0.797 -0.532
181 HD12 LEU 28 2HD1 LEU 28 -1.417 1.884 0.848
182 HD13 LEU 28 3HD1 LEU 28 -0.841 2.390 -0.740
183 HD21 LEU 28 3HD2 LEU 28 -3.906 2.201 -2.438
184 HD22 LEU 28 1HD2 LEU 28 -4.595 1.183 -1.174
185 HD23 LEU 28 2HD2 LEU 28 -3.038 0.766 -1.890
186 H ALA 29 H ALA 29 -4.289 5.143 0.530
187 HA ALA 29 HA ALA 29 -2.247 6.398 -0.757
188 HB1 ALA 29 3HB ALA 29 -4.167 7.366 -1.416
189 HB2 ALA 29 1HB ALA 29 -4.907 7.228 0.179
190 HB3 ALA 29 2HB ALA 29 -3.783 8.545 -0.162
191 H ARG 30 H ARG 30 -3.467 7.319 2.467
192 HA ARG 30 HA ARG 30 -1.598 9.327 2.981
193 HB2 ARG 30 1HB ARG 30 -2.340 9.284 5.205
194 HB3 ARG 30 2HB ARG 30 -3.727 8.723 4.280
195 HG2 ARG 30 1HG ARG 30 -3.279 6.443 4.885
196 HG3 ARG 30 2HG ARG 30 -1.772 6.910 5.677
197 HD2 ARG 30 1HD ARG 30 -3.183 8.376 7.186
198 HD3 ARG 30 2HD ARG 30 -4.590 7.552 6.514
199 HE ARG 30 HE ARG 30 -4.046 5.677 7.732
200 HH11 ARG 30 1HH1 ARG 30 -1.413 7.953 7.829
201 HH12 ARG 30 2HH1 ARG 30 -0.550 7.100 9.065
202 HH21 ARG 30 1HH2 ARG 30 -2.919 4.545 9.360
203 HH22 ARG 30 2HH2 ARG 30 -1.406 5.161 9.935
204 H HIS 31 H HIS 31 -1.450 5.847 3.551
205 HA HIS 31 HA HIS 31 0.924 5.804 5.053
206 HB2 HIS 31 1HB HIS 31 -0.157 3.778 5.153
207 HB3 HIS 31 2HB HIS 31 -0.608 3.812 3.450
208 HD1 HIS 31 HD1 HIS 31 2.401 3.138 5.647
209 HD2 HIS 31 HD2 HIS 31 1.032 2.379 1.798
210 HE1 HIS 31 HE1 HIS 31 4.066 1.542 4.643
211 H ARG 32 H ARG 32 0.395 5.375 1.559
212 HA ARG 32 HA ARG 32 2.943 4.885 0.702
213 HB2 ARG 32 1HB ARG 32 0.921 6.696 -0.630
214 HB3 ARG 32 2HB ARG 32 2.317 5.975 -1.419
215 HG2 ARG 32 1HG ARG 32 1.403 3.747 -1.005
216 HG3 ARG 32 2HG ARG 32 0.002 4.473 -0.215
217 HD2 ARG 32 1HD ARG 32 -0.584 5.610 -2.299
218 HD3 ARG 32 2HD ARG 32 0.823 4.896 -3.086
219 HE ARG 32 HE ARG 32 -1.684 3.598 -2.485
220 HH11 ARG 32 1HH1 ARG 32 1.687 3.175 -3.248
221 HH12 ARG 32 2HH1 ARG 32 1.480 1.567 -3.861
222 HH21 ARG 32 1HH2 ARG 32 -1.968 1.483 -3.290
223 HH22 ARG 32 2HH2 ARG 32 -0.599 0.606 -3.885
224 H GLY 33 H GLY 33 1.757 7.758 2.159
225 HA2 GLY 33 1HA GLY 33 3.459 9.704 1.111
226 HA3 GLY 33 2HA GLY 33 2.784 9.728 2.733
227 H ILE 34 H ILE 34 4.070 7.249 3.545
228 HA ILE 34 HA ILE 34 6.421 8.273 4.646
229 HB ILE 34 HB ILE 34 6.916 6.062 5.413
230 HG12 ILE 34 1HG1 ILE 34 4.830 5.012 3.494
231 HG13 ILE 34 2HG1 ILE 34 6.561 4.965 3.179
232 HG21 ILE 34 1HG2 ILE 34 3.941 6.531 5.300
233 HG22 ILE 34 2HG2 ILE 34 4.737 5.386 6.379
234 HG23 ILE 34 3HG2 ILE 34 5.062 7.113 6.531
235 HD11 ILE 34 3HD1 ILE 34 6.724 3.684 5.390
236 HD12 ILE 34 1HD1 ILE 34 4.982 3.463 5.227
237 HD13 ILE 34 2HD1 ILE 34 6.070 2.845 3.984
238 H HIS 35 H HIS 35 5.830 6.746 1.587
239 HA HIS 35 HA HIS 35 8.651 6.292 1.066
240 HB2 HIS 35 1HB HIS 35 6.295 5.962 -0.801
241 HB3 HIS 35 2HB HIS 35 7.925 5.341 -1.045
242 HD1 HIS 35 HD1 HIS 35 8.650 3.697 1.167
243 HD2 HIS 35 HD2 HIS 35 4.653 4.020 0.078
244 HE1 HIS 35 HE1 HIS 35 7.521 1.674 2.145
245 H THR 36 H THR 36 6.043 8.393 -0.084
246 HA THR 36 HA THR 36 7.610 9.759 -2.016
247 HB THR 36 HB THR 36 5.802 11.432 -2.039
248 HG1 THR 36 HG1 THR 36 4.051 11.163 -0.597
249 HG21 THR 36 3HG2 THR 36 3.908 9.816 -2.531
250 HG22 THR 36 1HG2 THR 36 5.003 8.528 -2.032
251 HG23 THR 36 2HG2 THR 36 5.409 9.544 -3.415
252 H GLY 37 H GLY 37 9.548 10.303 -0.902
253 HA2 GLY 37 1HA GLY 37 9.629 12.928 0.094
254 HA3 GLY 37 2HA GLY 37 9.667 11.822 1.459
255 H GLU 38 H GLU 38 11.737 13.646 0.668
256 HA GLU 38 HA GLU 38 13.819 11.985 -0.500
257 HB2 GLU 38 1HB GLU 38 15.218 14.071 -0.175
258 HB3 GLU 38 2HB GLU 38 13.852 14.225 -1.270
259 HG2 GLU 38 1HG GLU 38 13.447 14.947 1.579
260 HG3 GLU 38 2HG GLU 38 14.381 16.042 0.562
261 H LYS 39 H LYS 39 12.564 12.593 2.549
262 HA LYS 39 HA LYS 39 15.050 11.652 3.820
263 HB2 LYS 39 1HB LYS 39 13.061 13.689 4.812
264 HB3 LYS 39 2HB LYS 39 14.198 12.883 5.886
265 HG2 LYS 39 1HG LYS 39 16.063 13.781 4.595
266 HG3 LYS 39 2HG LYS 39 14.926 14.584 3.509
267 HD2 LYS 39 1HD LYS 39 15.406 16.308 4.940
268 HD3 LYS 39 2HD LYS 39 14.014 15.600 5.764
269 HE2 LYS 39 1HE LYS 39 15.549 14.313 7.196
270 HE3 LYS 39 2HE LYS 39 16.919 15.078 6.393
271 HZ1 LYS 39 3HZ LYS 39 16.320 16.127 8.525
272 HZ2 LYS 39 1HZ LYS 39 14.815 16.553 7.879
273 HZ3 LYS 39 2HZ LYS 39 16.232 17.201 7.221
274 HA PRO 40 HA PRO 40 12.621 8.244 5.207
275 HB2 PRO 40 1HB PRO 40 14.229 7.403 7.227
276 HB3 PRO 40 2HB PRO 40 14.618 7.151 5.521
277 HG2 PRO 40 1HG PRO 40 15.622 9.251 7.402
278 HG3 PRO 40 2HG PRO 40 16.520 8.300 6.205
279 HD2 PRO 40 1HD PRO 40 15.736 10.852 5.748
280 HD3 PRO 40 2HD PRO 40 15.853 9.643 4.454
281 H SER 41 H SER 41 11.906 7.300 7.428
282 HA SER 41 HA SER 41 10.288 9.215 8.697
283 HB2 SER 41 1HB SER 41 11.081 6.480 9.726
284 HB3 SER 41 2HB SER 41 9.692 7.429 10.254
285 HG SER 41 HG SER 41 9.917 6.906 7.529
286 H GLY 42 H GLY 42 13.231 7.559 9.829
287 HA2 GLY 42 1HA GLY 42 13.558 9.742 11.794
288 HA3 GLY 42 2HA GLY 42 13.916 8.068 12.189
289 HA PRO 43 HA PRO 43 17.492 10.417 9.931
290 HB2 PRO 43 1HB PRO 43 18.641 11.830 11.944
291 HB3 PRO 43 2HB PRO 43 17.406 12.509 10.877
292 HG2 PRO 43 1HG PRO 43 17.116 11.391 13.639
293 HG3 PRO 43 2HG PRO 43 16.391 12.851 12.941
294 HD2 PRO 43 1HD PRO 43 15.025 10.528 13.201
295 HD3 PRO 43 2HD PRO 43 14.728 11.667 11.872
296 H SER 44 H SER 44 19.882 10.270 10.609
297 HA SER 44 HA SER 44 20.365 7.618 11.522
298 HB2 SER 44 1HB SER 44 21.732 8.989 9.824
299 HB3 SER 44 2HB SER 44 22.487 9.738 11.230
300 HG SER 44 HG SER 44 23.631 8.003 11.496
301 H SER 45 H SER 45 20.461 6.956 13.552
302 HA SER 45 HA SER 45 21.486 8.809 15.598
303 HB2 SER 45 1HB SER 45 19.034 8.634 15.794
304 HB3 SER 45 2HB SER 45 19.173 6.881 15.933
305 HG SER 45 HG SER 45 19.308 7.309 17.990
306 H GLY 46 H GLY 46 23.452 7.978 16.009
307 HA2 GLY 46 1HA GLY 46 23.558 5.134 16.796
308 HA3 GLY 46 2HA GLY 46 24.804 5.843 15.780
Start of MODEL 11
1 H1 GLY 1 H GLY 1 8.899 -32.329 8.548
2 HA2 GLY 1 1HA GLY 1 8.714 -29.992 8.260
3 HA3 GLY 1 2HA GLY 1 10.143 -30.029 7.237
4 H SER 2 H SER 2 9.522 -29.201 5.343
5 HA SER 2 HA SER 2 8.411 -28.908 3.379
6 HB2 SER 2 1HB SER 2 8.975 -31.278 3.059
7 HB3 SER 2 2HB SER 2 7.500 -31.749 3.903
8 HG SER 2 HG SER 2 6.467 -30.359 2.173
9 H SER 3 H SER 3 7.139 -27.872 5.615
10 HA SER 3 HA SER 3 4.395 -27.829 4.674
11 HB2 SER 3 1HB SER 3 5.200 -28.898 7.360
12 HB3 SER 3 2HB SER 3 3.661 -28.055 7.178
13 HG SER 3 HG SER 3 4.531 -30.388 5.823
14 H GLY 4 H GLY 4 3.552 -25.836 4.810
15 HA2 GLY 4 1HA GLY 4 3.763 -23.973 6.800
16 HA3 GLY 4 2HA GLY 4 5.192 -23.702 5.812
17 H SER 5 H SER 5 1.684 -24.194 5.401
18 HA SER 5 HA SER 5 1.730 -22.428 3.079
19 HB2 SER 5 1HB SER 5 0.488 -24.589 2.985
20 HB3 SER 5 2HB SER 5 -0.592 -23.985 4.241
21 HG SER 5 HG SER 5 -0.179 -22.757 1.714
22 H SER 6 H SER 6 1.588 -20.324 3.475
23 HA SER 6 HA SER 6 -0.467 -19.391 5.351
24 HB2 SER 6 1HB SER 6 1.020 -17.734 6.300
25 HB3 SER 6 2HB SER 6 1.772 -19.320 6.463
26 HG SER 6 HG SER 6 2.512 -17.149 4.898
27 H GLY 7 H GLY 7 -1.324 -17.318 4.897
28 HA2 GLY 7 1HA GLY 7 -1.561 -15.351 3.608
29 HA3 GLY 7 2HA GLY 7 -0.468 -16.032 2.411
30 H THR 8 H THR 8 -3.741 -15.717 3.446
31 HA THR 8 HA THR 8 -4.612 -17.113 1.003
32 HB THR 8 HB THR 8 -6.749 -17.644 2.301
33 HG1 THR 8 HG1 THR 8 -5.158 -17.544 4.615
34 HG21 THR 8 3HG2 THR 8 -5.268 -19.464 3.682
35 HG22 THR 8 1HG2 THR 8 -4.121 -18.951 2.445
36 HG23 THR 8 2HG2 THR 8 -5.690 -19.607 1.976
37 H GLY 9 H GLY 9 -4.826 -15.220 -0.183
38 HA2 GLY 9 1HA GLY 9 -6.315 -13.645 -1.073
39 HA3 GLY 9 2HA GLY 9 -7.220 -13.682 0.433
40 H GLU 10 H GLU 10 -6.307 -11.383 -1.130
41 HA GLU 10 HA GLU 10 -5.031 -9.948 1.057
42 HB2 GLU 10 1HB GLU 10 -3.783 -10.426 -1.606
43 HB3 GLU 10 2HB GLU 10 -3.575 -8.841 -0.874
44 HG2 GLU 10 1HG GLU 10 -2.370 -9.680 0.916
45 HG3 GLU 10 2HG GLU 10 -2.979 -11.318 0.686
46 H LYS 11 H LYS 11 -5.201 -7.627 0.851
47 HA LYS 11 HA LYS 11 -7.672 -6.859 -0.433
48 HB2 LYS 11 1HB LYS 11 -5.752 -5.489 1.430
49 HB3 LYS 11 2HB LYS 11 -7.030 -4.585 0.628
50 HG2 LYS 11 1HG LYS 11 -7.958 -5.130 2.678
51 HG3 LYS 11 2HG LYS 11 -8.611 -6.365 1.598
52 HD2 LYS 11 1HD LYS 11 -6.554 -7.753 2.346
53 HD3 LYS 11 2HD LYS 11 -6.482 -6.612 3.691
54 HE2 LYS 11 1HE LYS 11 -8.714 -7.196 4.371
55 HE3 LYS 11 2HE LYS 11 -8.929 -8.207 2.943
56 HZ1 LYS 11 3HZ LYS 11 -6.647 -8.886 4.587
57 HZ2 LYS 11 1HZ LYS 11 -7.802 -9.891 3.868
58 HZ3 LYS 11 2HZ LYS 11 -8.147 -9.120 5.333
59 HA PRO 12 HA PRO 12 -5.951 -5.108 -4.083
60 HB2 PRO 12 1HB PRO 12 -7.855 -3.256 -4.641
61 HB3 PRO 12 2HB PRO 12 -8.106 -4.990 -4.870
62 HG2 PRO 12 1HG PRO 12 -8.976 -3.233 -2.608
63 HG3 PRO 12 2HG PRO 12 -9.879 -4.509 -3.445
64 HD2 PRO 12 1HD PRO 12 -8.692 -4.900 -1.043
65 HD3 PRO 12 2HD PRO 12 -8.855 -6.192 -2.249
66 H TYR 13 H TYR 13 -6.248 -3.415 -1.178
67 HA TYR 13 HA TYR 13 -5.019 -0.987 -2.276
68 HB2 TYR 13 1HB TYR 13 -6.138 -1.479 0.491
69 HB3 TYR 13 2HB TYR 13 -5.559 0.060 -0.135
70 HD1 TYR 13 HD2 TYR 13 -8.127 -2.568 -0.739
71 HD2 TYR 13 HD1 TYR 13 -7.036 1.519 -1.196
72 HE1 TYR 13 HE2 TYR 13 -10.385 -2.065 -1.574
73 HE2 TYR 13 HE1 TYR 13 -9.292 2.034 -2.032
74 HH TYR 13 HH TYR 13 -11.181 0.617 -3.224
75 H LYS 14 H LYS 14 -3.425 -3.270 -2.219
76 HA LYS 14 HA LYS 14 -1.711 -3.032 0.129
77 HB2 LYS 14 1HB LYS 14 -2.024 -5.280 -0.433
78 HB3 LYS 14 2HB LYS 14 -1.887 -4.967 -2.158
79 HG2 LYS 14 1HG LYS 14 0.465 -4.704 -2.013
80 HG3 LYS 14 2HG LYS 14 0.416 -4.680 -0.248
81 HD2 LYS 14 1HD LYS 14 -0.708 -7.054 -0.624
82 HD3 LYS 14 2HD LYS 14 0.208 -6.971 -2.130
83 HE2 LYS 14 1HE LYS 14 1.759 -7.951 -0.762
84 HE3 LYS 14 2HE LYS 14 2.158 -6.251 -0.520
85 HZ1 LYS 14 3HZ LYS 14 0.141 -7.246 1.279
86 HZ2 LYS 14 1HZ LYS 14 1.527 -6.333 1.606
87 HZ3 LYS 14 2HZ LYS 14 1.639 -8.013 1.452
88 H CYS 15 H CYS 15 0.096 -1.866 0.163
89 HA CYS 15 HA CYS 15 0.853 -0.219 -1.999
90 HB2 CYS 15 1HB CYS 15 1.341 0.543 0.203
91 HB3 CYS 15 2HB CYS 15 2.222 -0.931 0.594
92 H ASN 16 H ASN 16 2.857 -0.207 -3.172
93 HA ASN 16 HA ASN 16 3.840 -2.926 -3.707
94 HB2 ASN 16 1HB ASN 16 2.784 -1.775 -5.617
95 HB3 ASN 16 2HB ASN 16 3.954 -0.467 -5.469
96 HD21 ASN 16 1HD2 ASN 16 4.646 -0.846 -7.592
97 HD22 ASN 16 2HD2 ASN 16 5.671 -2.181 -7.982
98 H GLU 17 H GLU 17 4.795 0.315 -2.839
99 HA GLU 17 HA GLU 17 7.530 0.213 -3.308
100 HB2 GLU 17 1HB GLU 17 5.863 1.647 -1.263
101 HB3 GLU 17 2HB GLU 17 7.616 1.779 -1.238
102 HG2 GLU 17 1HG GLU 17 5.796 2.549 -3.507
103 HG3 GLU 17 2HG GLU 17 6.649 3.645 -2.422
104 H CYS 18 H CYS 18 5.816 -0.593 -0.286
105 HA CYS 18 HA CYS 18 8.188 -2.118 0.556
106 HB2 CYS 18 1HB CYS 18 7.293 -1.906 2.851
107 HB3 CYS 18 2HB CYS 18 7.588 -0.339 2.106
108 H GLY 19 H GLY 19 4.633 -2.225 0.516
109 HA2 GLY 19 1HA GLY 19 3.656 -4.310 -0.388
110 HA3 GLY 19 2HA GLY 19 4.839 -5.173 0.584
111 H LYS 20 H LYS 20 2.962 -2.369 1.604
112 HA LYS 20 HA LYS 20 2.006 -3.855 3.900
113 HB2 LYS 20 1HB LYS 20 2.817 -1.340 3.728
114 HB3 LYS 20 2HB LYS 20 1.130 -1.060 3.319
115 HG2 LYS 20 1HG LYS 20 0.387 -1.593 5.408
116 HG3 LYS 20 2HG LYS 20 1.733 -2.690 5.727
117 HD2 LYS 20 1HD LYS 20 3.235 -0.805 6.013
118 HD3 LYS 20 2HD LYS 20 1.938 0.319 5.603
119 HE2 LYS 20 1HE LYS 20 1.535 -1.597 7.851
120 HE3 LYS 20 2HE LYS 20 2.561 -0.187 8.109
121 HZ1 LYS 20 3HZ LYS 20 0.436 0.494 8.733
122 HZ2 LYS 20 1HZ LYS 20 -0.312 -0.263 7.418
123 HZ3 LYS 20 2HZ LYS 20 0.616 1.130 7.176
124 H VAL 21 H VAL 21 -0.313 -3.626 4.557
125 HA VAL 21 HA VAL 21 -2.118 -3.656 2.232
126 HB VAL 21 HB VAL 21 -2.268 -5.595 4.543
127 HG11 VAL 21 1HG1 VAL 21 -4.176 -4.764 2.602
128 HG12 VAL 21 2HG1 VAL 21 -3.734 -6.440 2.274
129 HG13 VAL 21 3HG1 VAL 21 -4.344 -5.983 3.864
130 HG21 VAL 21 3HG2 VAL 21 -1.605 -7.304 2.899
131 HG22 VAL 21 1HG2 VAL 21 -1.343 -6.032 1.705
132 HG23 VAL 21 2HG2 VAL 21 -0.341 -6.101 3.155
133 H PHE 22 H PHE 22 -4.112 -2.756 2.528
134 HA PHE 22 HA PHE 22 -4.854 -1.875 5.223
135 HB2 PHE 22 1HB PHE 22 -4.903 -0.058 2.805
136 HB3 PHE 22 2HB PHE 22 -5.385 0.367 4.444
137 HD1 PHE 22 HD1 PHE 22 -3.712 0.680 6.191
138 HD2 PHE 22 HD2 PHE 22 -2.596 -0.169 2.172
139 HE1 PHE 22 HE1 PHE 22 -1.412 1.408 6.679
140 HE2 PHE 22 HE2 PHE 22 -0.295 0.556 2.654
141 HZ PHE 22 HZ PHE 22 0.300 1.345 4.910
142 H THR 23 H THR 23 -7.126 -1.185 5.370
143 HA THR 23 HA THR 23 -8.792 -2.683 3.457
144 HB THR 23 HB THR 23 -9.517 -1.939 6.295
145 HG1 THR 23 HG1 THR 23 -8.612 -3.766 6.914
146 HG21 THR 23 3HG2 THR 23 -11.553 -2.694 5.799
147 HG22 THR 23 1HG2 THR 23 -10.878 -4.224 5.238
148 HG23 THR 23 2HG2 THR 23 -11.054 -2.874 4.117
149 H GLN 24 H GLN 24 -7.832 0.194 3.415
150 HA GLN 24 HA GLN 24 -10.219 1.336 2.405
151 HB2 GLN 24 1HB GLN 24 -11.023 1.900 4.475
152 HB3 GLN 24 2HB GLN 24 -9.420 1.992 5.193
153 HG2 GLN 24 1HG GLN 24 -9.115 4.164 4.586
154 HG3 GLN 24 2HG GLN 24 -10.153 4.031 3.168
155 HE21 GLN 24 1HE2 GLN 24 -10.444 3.678 6.691
156 HE22 GLN 24 2HE2 GLN 24 -11.904 4.590 6.832
157 H ASN 25 H ASN 25 -9.647 2.726 0.865
158 HA ASN 25 HA ASN 25 -7.111 3.251 0.046
159 HB2 ASN 25 1HB ASN 25 -7.979 4.936 -1.365
160 HB3 ASN 25 2HB ASN 25 -9.315 3.814 -1.124
161 HD21 ASN 25 1HD2 ASN 25 -8.661 6.938 -1.395
162 HD22 ASN 25 2HD2 ASN 25 -9.886 7.618 -0.383
163 H SER 26 H SER 26 -9.064 5.404 2.105
164 HA SER 26 HA SER 26 -7.271 7.453 2.477
165 HB2 SER 26 1HB SER 26 -9.469 6.301 4.125
166 HB3 SER 26 2HB SER 26 -8.372 7.435 4.913
167 HG SER 26 HG SER 26 -8.874 8.655 2.763
168 H HIS 27 H HIS 27 -7.264 4.264 3.909
169 HA HIS 27 HA HIS 27 -5.244 4.867 5.860
170 HB2 HIS 27 1HB HIS 27 -6.328 2.230 4.849
171 HB3 HIS 27 2HB HIS 27 -5.191 2.392 6.185
172 HD1 HIS 27 HD1 HIS 27 -7.904 1.090 6.674
173 HD2 HIS 27 HD2 HIS 27 -7.173 5.147 7.191
174 HE1 HIS 27 HE1 HIS 27 -9.665 1.891 8.280
175 H LEU 28 H LEU 28 -5.322 3.633 2.589
176 HA LEU 28 HA LEU 28 -2.572 2.793 2.590
177 HB2 LEU 28 1HB LEU 28 -3.952 1.603 1.122
178 HB3 LEU 28 2HB LEU 28 -4.688 3.073 0.486
179 HG LEU 28 HG LEU 28 -2.612 3.604 -0.695
180 HD11 LEU 28 1HD1 LEU 28 -0.662 2.558 -0.372
181 HD12 LEU 28 2HD1 LEU 28 -1.414 0.963 -0.325
182 HD13 LEU 28 3HD1 LEU 28 -1.393 1.971 1.122
183 HD21 LEU 28 3HD2 LEU 28 -4.477 1.744 -1.388
184 HD22 LEU 28 1HD2 LEU 28 -2.979 0.832 -1.570
185 HD23 LEU 28 2HD2 LEU 28 -3.204 2.343 -2.452
186 H ALA 29 H ALA 29 -4.298 5.304 0.730
187 HA ALA 29 HA ALA 29 -2.295 6.646 -0.445
188 HB1 ALA 29 3HB ALA 29 -4.003 7.981 -0.912
189 HB2 ALA 29 1HB ALA 29 -4.928 7.320 0.437
190 HB3 ALA 29 2HB ALA 29 -3.854 8.697 0.693
191 H ARG 30 H ARG 30 -3.334 7.328 2.901
192 HA ARG 30 HA ARG 30 -1.411 9.215 3.537
193 HB2 ARG 30 1HB ARG 30 -2.100 8.996 5.718
194 HB3 ARG 30 2HB ARG 30 -3.458 8.250 4.887
195 HG2 ARG 30 1HG ARG 30 -2.635 6.056 5.378
196 HG3 ARG 30 2HG ARG 30 -1.138 6.718 6.038
197 HD2 ARG 30 1HD ARG 30 -2.849 8.015 7.597
198 HD3 ARG 30 2HD ARG 30 -3.865 6.626 7.212
199 HE ARG 30 HE ARG 30 -1.471 6.644 8.837
200 HH11 ARG 30 1HH1 ARG 30 -3.764 4.735 7.043
201 HH12 ARG 30 2HH1 ARG 30 -3.403 3.268 7.891
202 HH21 ARG 30 1HH2 ARG 30 -0.987 4.718 9.961
203 HH22 ARG 30 2HH2 ARG 30 -1.824 3.260 9.551
204 H HIS 31 H HIS 31 -1.227 5.687 3.749
205 HA HIS 31 HA HIS 31 1.289 5.529 4.992
206 HB2 HIS 31 1HB HIS 31 0.201 3.501 5.037
207 HB3 HIS 31 2HB HIS 31 -0.404 3.667 3.391
208 HD1 HIS 31 HD1 HIS 31 2.715 2.717 5.286
209 HD2 HIS 31 HD2 HIS 31 1.146 2.487 1.446
210 HE1 HIS 31 HE1 HIS 31 4.293 1.238 4.002
211 H ARG 32 H ARG 32 0.398 5.399 1.550
212 HA ARG 32 HA ARG 32 2.865 4.996 0.417
213 HB2 ARG 32 1HB ARG 32 0.499 6.612 -0.496
214 HB3 ARG 32 2HB ARG 32 1.949 6.486 -1.483
215 HG2 ARG 32 1HG ARG 32 1.592 3.910 -1.093
216 HG3 ARG 32 2HG ARG 32 -0.073 4.419 -0.807
217 HD2 ARG 32 1HD ARG 32 0.142 3.858 -3.120
218 HD3 ARG 32 2HD ARG 32 -0.010 5.611 -2.995
219 HE ARG 32 HE ARG 32 2.707 4.654 -3.079
220 HH11 ARG 32 1HH1 ARG 32 -0.042 5.704 -4.938
221 HH12 ARG 32 2HH1 ARG 32 0.901 6.159 -6.319
222 HH21 ARG 32 1HH2 ARG 32 3.960 5.248 -4.890
223 HH22 ARG 32 2HH2 ARG 32 3.177 5.898 -6.291
224 H GLY 33 H GLY 33 1.810 7.711 2.208
225 HA2 GLY 33 1HA GLY 33 3.353 9.772 1.110
226 HA3 GLY 33 2HA GLY 33 2.837 9.679 2.787
227 H ILE 34 H ILE 34 4.255 7.137 3.226
228 HA ILE 34 HA ILE 34 6.705 8.186 4.144
229 HB ILE 34 HB ILE 34 7.264 5.982 4.848
230 HG12 ILE 34 1HG1 ILE 34 5.039 4.921 3.097
231 HG13 ILE 34 2HG1 ILE 34 6.739 4.902 2.641
232 HG21 ILE 34 1HG2 ILE 34 4.413 6.786 5.086
233 HG22 ILE 34 2HG2 ILE 34 4.890 5.205 5.702
234 HG23 ILE 34 3HG2 ILE 34 5.661 6.663 6.326
235 HD11 ILE 34 3HD1 ILE 34 5.403 2.900 3.934
236 HD12 ILE 34 1HD1 ILE 34 7.154 3.100 3.876
237 HD13 ILE 34 2HD1 ILE 34 6.241 3.720 5.252
238 H HIS 35 H HIS 35 5.759 6.746 1.141
239 HA HIS 35 HA HIS 35 8.526 6.347 0.302
240 HB2 HIS 35 1HB HIS 35 6.002 5.856 -1.286
241 HB3 HIS 35 2HB HIS 35 7.620 5.264 -1.651
242 HD1 HIS 35 HD1 HIS 35 8.593 3.709 0.507
243 HD2 HIS 35 HD2 HIS 35 4.494 3.950 -0.128
244 HE1 HIS 35 HE1 HIS 35 7.613 1.715 1.684
245 H THR 36 H THR 36 5.706 8.325 -0.480
246 HA THR 36 HA THR 36 7.190 9.801 -2.499
247 HB THR 36 HB THR 36 5.079 11.088 -2.782
248 HG1 THR 36 HG1 THR 36 4.385 10.661 -0.534
249 HG21 THR 36 3HG2 THR 36 5.199 9.327 -4.280
250 HG22 THR 36 1HG2 THR 36 3.680 8.988 -3.450
251 HG23 THR 36 2HG2 THR 36 5.143 8.105 -3.010
252 H GLY 37 H GLY 37 8.735 11.019 -1.493
253 HA2 GLY 37 1HA GLY 37 9.313 13.157 -0.676
254 HA3 GLY 37 2HA GLY 37 7.738 13.262 0.096
255 H GLU 38 H GLU 38 10.720 11.316 0.257
256 HA GLU 38 HA GLU 38 10.277 10.862 3.097
257 HB2 GLU 38 1HB GLU 38 12.230 9.385 2.955
258 HB3 GLU 38 2HB GLU 38 11.033 8.985 1.730
259 HG2 GLU 38 1HG GLU 38 12.424 10.444 0.158
260 HG3 GLU 38 2HG GLU 38 13.684 10.333 1.386
261 H LYS 39 H LYS 39 12.146 11.145 4.599
262 HA LYS 39 HA LYS 39 12.944 13.818 4.712
263 HB2 LYS 39 1HB LYS 39 13.610 11.337 6.185
264 HB3 LYS 39 2HB LYS 39 14.777 12.647 6.312
265 HG2 LYS 39 1HG LYS 39 12.706 14.098 6.883
266 HG3 LYS 39 2HG LYS 39 11.938 12.548 7.232
267 HD2 LYS 39 1HD LYS 39 14.580 13.365 8.421
268 HD3 LYS 39 2HD LYS 39 13.033 13.727 9.190
269 HE2 LYS 39 1HE LYS 39 12.587 11.188 8.904
270 HE3 LYS 39 2HE LYS 39 14.335 11.074 8.705
271 HZ1 LYS 39 3HZ LYS 39 14.696 11.884 10.856
272 HZ2 LYS 39 1HZ LYS 39 13.430 10.776 11.030
273 HZ3 LYS 39 2HZ LYS 39 13.106 12.436 11.026
274 HA PRO 40 HA PRO 40 17.336 12.435 3.261
275 HB2 PRO 40 1HB PRO 40 17.606 9.900 2.327
276 HB3 PRO 40 2HB PRO 40 17.820 10.325 4.029
277 HG2 PRO 40 1HG PRO 40 15.439 9.137 2.657
278 HG3 PRO 40 2HG PRO 40 16.159 8.707 4.220
279 HD2 PRO 40 1HD PRO 40 13.948 10.255 4.012
280 HD3 PRO 40 2HD PRO 40 15.136 10.458 5.316
281 H SER 41 H SER 41 18.286 11.445 1.037
282 HA SER 41 HA SER 41 16.298 11.976 -1.069
283 HB2 SER 41 1HB SER 41 17.765 13.947 -0.732
284 HB3 SER 41 2HB SER 41 19.171 12.935 -1.062
285 HG SER 41 HG SER 41 18.503 12.688 -3.150
286 H GLY 42 H GLY 42 19.452 10.544 -0.296
287 HA2 GLY 42 1HA GLY 42 19.413 8.076 -1.017
288 HA3 GLY 42 2HA GLY 42 19.147 8.755 -2.616
289 HA PRO 43 HA PRO 43 23.661 9.849 -1.159
290 HB2 PRO 43 1HB PRO 43 24.661 8.166 0.722
291 HB3 PRO 43 2HB PRO 43 23.836 9.677 1.125
292 HG2 PRO 43 1HG PRO 43 22.772 6.879 1.127
293 HG3 PRO 43 2HG PRO 43 22.527 8.170 2.318
294 HD2 PRO 43 1HD PRO 43 20.674 7.546 0.445
295 HD3 PRO 43 2HD PRO 43 20.897 9.199 1.055
296 H SER 44 H SER 44 23.934 8.985 -3.266
297 HA SER 44 HA SER 44 24.657 6.150 -3.439
298 HB2 SER 44 1HB SER 44 22.996 7.251 -5.053
299 HB3 SER 44 2HB SER 44 24.395 8.058 -5.761
300 HG SER 44 HG SER 44 25.269 5.804 -5.896
301 H SER 45 H SER 45 26.598 7.089 -2.106
302 HA SER 45 HA SER 45 28.875 6.950 -3.780
303 HB2 SER 45 1HB SER 45 29.797 9.184 -3.445
304 HB3 SER 45 2HB SER 45 28.234 9.299 -4.252
305 HG SER 45 HG SER 45 27.431 9.554 -1.961
306 H GLY 46 H GLY 46 30.361 5.945 -2.601
307 HA2 GLY 46 1HA GLY 46 31.771 6.344 -0.513
308 HA3 GLY 46 2HA GLY 46 30.233 6.237 0.331
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.392 -28.609 13.314
2 HA2 GLY 1 1HA GLY 1 9.668 -29.025 10.873
3 HA3 GLY 1 2HA GLY 1 7.972 -28.733 10.518
4 H SER 2 H SER 2 7.406 -26.694 10.185
5 HA SER 2 HA SER 2 8.387 -24.523 11.743
6 HB2 SER 2 1HB SER 2 9.495 -23.305 9.853
7 HB3 SER 2 2HB SER 2 10.374 -24.738 10.385
8 HG SER 2 HG SER 2 9.377 -24.176 7.958
9 H SER 3 H SER 3 7.126 -22.713 11.525
10 HA SER 3 HA SER 3 5.401 -22.316 9.264
11 HB2 SER 3 1HB SER 3 3.283 -22.457 10.577
12 HB3 SER 3 2HB SER 3 4.084 -24.016 10.383
13 HG SER 3 HG SER 3 3.717 -24.007 12.491
14 H GLY 4 H GLY 4 4.638 -20.237 9.141
15 HA2 GLY 4 1HA GLY 4 4.533 -18.487 11.402
16 HA3 GLY 4 2HA GLY 4 5.960 -18.194 10.419
17 H SER 5 H SER 5 2.632 -17.621 10.792
18 HA SER 5 HA SER 5 2.563 -16.264 8.177
19 HB2 SER 5 1HB SER 5 1.072 -18.294 8.329
20 HB3 SER 5 2HB SER 5 0.163 -17.451 9.583
21 HG SER 5 HG SER 5 0.308 -16.956 6.841
22 H SER 6 H SER 6 1.261 -16.291 11.478
23 HA SER 6 HA SER 6 0.379 -14.633 12.781
24 HB2 SER 6 1HB SER 6 2.665 -13.196 11.422
25 HB3 SER 6 2HB SER 6 1.756 -12.514 12.770
26 HG SER 6 HG SER 6 2.355 -14.759 13.713
27 H GLY 7 H GLY 7 -1.114 -14.989 10.479
28 HA2 GLY 7 1HA GLY 7 -3.031 -13.351 10.211
29 HA3 GLY 7 2HA GLY 7 -1.789 -12.231 9.672
30 H THR 8 H THR 8 -4.207 -13.964 8.526
31 HA THR 8 HA THR 8 -2.837 -14.498 5.974
32 HB THR 8 HB THR 8 -5.112 -16.162 7.065
33 HG1 THR 8 HG1 THR 8 -3.589 -17.122 8.170
34 HG21 THR 8 3HG2 THR 8 -4.686 -17.626 5.221
35 HG22 THR 8 1HG2 THR 8 -3.251 -16.714 4.756
36 HG23 THR 8 2HG2 THR 8 -4.850 -15.993 4.575
37 H GLY 9 H GLY 9 -3.939 -13.955 4.111
38 HA2 GLY 9 1HA GLY 9 -6.252 -13.519 3.188
39 HA3 GLY 9 2HA GLY 9 -6.419 -12.408 4.540
40 H GLU 10 H GLU 10 -6.636 -11.823 1.711
41 HA GLU 10 HA GLU 10 -4.537 -9.774 1.555
42 HB2 GLU 10 1HB GLU 10 -4.303 -10.129 -0.843
43 HB3 GLU 10 2HB GLU 10 -3.931 -11.607 0.032
44 HG2 GLU 10 1HG GLU 10 -5.779 -12.700 -0.740
45 HG3 GLU 10 2HG GLU 10 -6.703 -11.215 -0.957
46 H LYS 11 H LYS 11 -5.178 -7.800 0.795
47 HA LYS 11 HA LYS 11 -8.040 -7.521 0.149
48 HB2 LYS 11 1HB LYS 11 -6.240 -5.949 1.920
49 HB3 LYS 11 2HB LYS 11 -7.455 -5.060 1.010
50 HG2 LYS 11 1HG LYS 11 -8.455 -5.522 3.070
51 HG3 LYS 11 2HG LYS 11 -9.145 -6.706 1.957
52 HD2 LYS 11 1HD LYS 11 -8.617 -7.962 3.855
53 HD3 LYS 11 2HD LYS 11 -7.263 -8.259 2.762
54 HE2 LYS 11 1HE LYS 11 -6.127 -7.806 4.695
55 HE3 LYS 11 2HE LYS 11 -6.235 -6.184 4.015
56 HZ1 LYS 11 3HZ LYS 11 -8.121 -7.302 6.018
57 HZ2 LYS 11 1HZ LYS 11 -8.107 -5.718 5.423
58 HZ3 LYS 11 2HZ LYS 11 -6.829 -6.272 6.381
59 HA PRO 12 HA PRO 12 -7.046 -5.534 -3.635
60 HB2 PRO 12 1HB PRO 12 -8.888 -3.544 -3.763
61 HB3 PRO 12 2HB PRO 12 -9.301 -5.250 -3.974
62 HG2 PRO 12 1HG PRO 12 -9.581 -3.520 -1.547
63 HG3 PRO 12 2HG PRO 12 -10.719 -4.704 -2.214
64 HD2 PRO 12 1HD PRO 12 -9.112 -5.255 -0.106
65 HD3 PRO 12 2HD PRO 12 -9.601 -6.491 -1.283
66 H TYR 13 H TYR 13 -6.538 -4.000 -0.707
67 HA TYR 13 HA TYR 13 -5.247 -1.700 -2.023
68 HB2 TYR 13 1HB TYR 13 -6.346 -1.867 0.791
69 HB3 TYR 13 2HB TYR 13 -5.541 -0.469 0.087
70 HD1 TYR 13 HD2 TYR 13 -8.600 -2.504 0.067
71 HD2 TYR 13 HD1 TYR 13 -6.686 0.972 -1.469
72 HE1 TYR 13 HE2 TYR 13 -10.764 -1.691 -0.773
73 HE2 TYR 13 HE1 TYR 13 -8.845 1.795 -2.313
74 HH TYR 13 HH TYR 13 -11.819 -0.106 -1.910
75 H LYS 14 H LYS 14 -3.248 -2.639 -2.329
76 HA LYS 14 HA LYS 14 -1.696 -3.072 0.124
77 HB2 LYS 14 1HB LYS 14 -2.069 -5.295 -0.548
78 HB3 LYS 14 2HB LYS 14 -1.892 -4.903 -2.253
79 HG2 LYS 14 1HG LYS 14 0.410 -4.867 -2.145
80 HG3 LYS 14 2HG LYS 14 0.427 -4.559 -0.407
81 HD2 LYS 14 1HD LYS 14 -0.202 -6.806 0.076
82 HD3 LYS 14 2HD LYS 14 -0.547 -7.138 -1.623
83 HE2 LYS 14 1HE LYS 14 2.179 -6.422 -0.554
84 HE3 LYS 14 2HE LYS 14 1.618 -8.074 -0.803
85 HZ1 LYS 14 3HZ LYS 14 1.173 -6.574 -3.143
86 HZ2 LYS 14 1HZ LYS 14 2.165 -7.928 -2.928
87 HZ3 LYS 14 2HZ LYS 14 2.784 -6.376 -2.668
88 H CYS 15 H CYS 15 0.049 -1.827 0.166
89 HA CYS 15 HA CYS 15 0.778 -0.129 -1.950
90 HB2 CYS 15 1HB CYS 15 1.291 0.499 0.314
91 HB3 CYS 15 2HB CYS 15 2.270 -0.945 0.547
92 H ASN 16 H ASN 16 2.715 -0.075 -3.202
93 HA ASN 16 HA ASN 16 3.704 -2.764 -3.855
94 HB2 ASN 16 1HB ASN 16 3.320 -0.261 -5.453
95 HB3 ASN 16 2HB ASN 16 4.537 -1.427 -5.964
96 HD21 ASN 16 1HD2 ASN 16 1.456 -0.500 -6.421
97 HD22 ASN 16 2HD2 ASN 16 0.768 -1.987 -6.970
98 H GLU 17 H GLU 17 4.684 0.455 -2.914
99 HA GLU 17 HA GLU 17 7.407 0.361 -3.441
100 HB2 GLU 17 1HB GLU 17 5.826 1.718 -1.270
101 HB3 GLU 17 2HB GLU 17 7.572 1.892 -1.382
102 HG2 GLU 17 1HG GLU 17 6.659 3.763 -2.468
103 HG3 GLU 17 2HG GLU 17 7.224 2.688 -3.746
104 H CYS 18 H CYS 18 5.805 -0.450 -0.357
105 HA CYS 18 HA CYS 18 8.181 -2.011 0.383
106 HB2 CYS 18 1HB CYS 18 7.307 -1.884 2.693
107 HB3 CYS 18 2HB CYS 18 7.577 -0.291 1.993
108 H GLY 19 H GLY 19 4.627 -2.168 0.404
109 HA2 GLY 19 1HA GLY 19 3.668 -4.240 -0.561
110 HA3 GLY 19 2HA GLY 19 4.874 -5.114 0.373
111 H LYS 20 H LYS 20 3.054 -2.357 1.565
112 HA LYS 20 HA LYS 20 2.081 -3.965 3.770
113 HB2 LYS 20 1HB LYS 20 2.984 -1.489 3.787
114 HB3 LYS 20 2HB LYS 20 1.318 -1.100 3.379
115 HG2 LYS 20 1HG LYS 20 0.503 -1.918 5.402
116 HG3 LYS 20 2HG LYS 20 1.971 -2.845 5.724
117 HD2 LYS 20 1HD LYS 20 3.195 -0.914 6.276
118 HD3 LYS 20 2HD LYS 20 1.992 0.156 5.554
119 HE2 LYS 20 1HE LYS 20 1.470 0.414 7.763
120 HE3 LYS 20 2HE LYS 20 0.427 -0.949 7.366
121 HZ1 LYS 20 3HZ LYS 20 2.111 -2.445 8.244
122 HZ2 LYS 20 1HZ LYS 20 1.629 -1.331 9.422
123 HZ3 LYS 20 2HZ LYS 20 3.109 -1.134 8.628
124 H VAL 21 H VAL 21 -0.190 -3.868 4.446
125 HA VAL 21 HA VAL 21 -2.022 -3.679 2.143
126 HB VAL 21 HB VAL 21 -2.087 -5.685 4.400
127 HG11 VAL 21 1HG1 VAL 21 -4.131 -4.831 2.437
128 HG12 VAL 21 2HG1 VAL 21 -3.977 -6.564 2.733
129 HG13 VAL 21 3HG1 VAL 21 -4.321 -5.466 4.071
130 HG21 VAL 21 3HG2 VAL 21 -0.457 -6.306 2.767
131 HG22 VAL 21 1HG2 VAL 21 -1.881 -7.315 2.512
132 HG23 VAL 21 2HG2 VAL 21 -1.566 -5.948 1.443
133 H PHE 22 H PHE 22 -4.109 -2.909 2.529
134 HA PHE 22 HA PHE 22 -4.710 -1.907 5.211
135 HB2 PHE 22 1HB PHE 22 -4.777 -0.195 2.717
136 HB3 PHE 22 2HB PHE 22 -5.367 0.296 4.302
137 HD1 PHE 22 HD1 PHE 22 -3.822 0.795 6.106
138 HD2 PHE 22 HD2 PHE 22 -2.422 -0.310 2.241
139 HE1 PHE 22 HE1 PHE 22 -1.578 1.619 6.687
140 HE2 PHE 22 HE2 PHE 22 -0.175 0.511 2.817
141 HZ PHE 22 HZ PHE 22 0.250 1.476 5.042
142 H THR 23 H THR 23 -6.999 -1.034 5.301
143 HA THR 23 HA THR 23 -8.728 -2.881 3.824
144 HB THR 23 HB THR 23 -9.439 -1.176 6.217
145 HG1 THR 23 HG1 THR 23 -9.330 -3.500 7.129
146 HG21 THR 23 3HG2 THR 23 -11.478 -2.187 6.236
147 HG22 THR 23 1HG2 THR 23 -10.864 -3.687 5.541
148 HG23 THR 23 2HG2 THR 23 -11.164 -2.292 4.504
149 H GLN 24 H GLN 24 -8.290 0.549 4.519
150 HA GLN 24 HA GLN 24 -10.379 1.170 2.541
151 HB2 GLN 24 1HB GLN 24 -10.638 2.048 4.903
152 HB3 GLN 24 2HB GLN 24 -9.234 3.061 4.594
153 HG2 GLN 24 1HG GLN 24 -11.396 4.224 4.301
154 HG3 GLN 24 2HG GLN 24 -10.377 4.240 2.863
155 HE21 GLN 24 1HE2 GLN 24 -11.991 4.504 1.391
156 HE22 GLN 24 2HE2 GLN 24 -13.199 3.311 1.071
157 H ASN 25 H ASN 25 -9.982 3.140 1.225
158 HA ASN 25 HA ASN 25 -7.494 2.935 -0.118
159 HB2 ASN 25 1HB ASN 25 -8.385 5.129 -1.227
160 HB3 ASN 25 2HB ASN 25 -9.220 3.607 -1.521
161 HD21 ASN 25 1HD2 ASN 25 -11.145 4.651 -1.996
162 HD22 ASN 25 2HD2 ASN 25 -12.119 5.386 -0.773
163 H SER 26 H SER 26 -8.880 5.429 1.999
164 HA SER 26 HA SER 26 -6.827 7.286 1.892
165 HB2 SER 26 1HB SER 26 -8.660 6.563 4.186
166 HB3 SER 26 2HB SER 26 -7.601 7.972 4.187
167 HG SER 26 HG SER 26 -9.879 8.226 3.431
168 H HIS 27 H HIS 27 -7.278 4.831 4.444
169 HA HIS 27 HA HIS 27 -5.005 5.146 5.883
170 HB2 HIS 27 1HB HIS 27 -6.047 2.432 5.059
171 HB3 HIS 27 2HB HIS 27 -5.152 2.827 6.523
172 HD1 HIS 27 HD1 HIS 27 -7.939 1.475 6.616
173 HD2 HIS 27 HD2 HIS 27 -7.283 5.565 6.947
174 HE1 HIS 27 HE1 HIS 27 -9.946 2.382 7.830
175 H LEU 28 H LEU 28 -5.273 3.679 2.710
176 HA LEU 28 HA LEU 28 -2.554 2.741 2.671
177 HB2 LEU 28 1HB LEU 28 -3.874 1.445 1.317
178 HB3 LEU 28 2HB LEU 28 -4.827 2.816 0.753
179 HG LEU 28 HG LEU 28 -2.895 3.510 -0.649
180 HD11 LEU 28 1HD1 LEU 28 -1.657 1.269 0.773
181 HD12 LEU 28 2HD1 LEU 28 -0.921 2.670 -0.005
182 HD13 LEU 28 3HD1 LEU 28 -1.387 1.270 -0.970
183 HD21 LEU 28 3HD2 LEU 28 -4.828 1.716 -1.191
184 HD22 LEU 28 1HD2 LEU 28 -3.397 0.733 -1.499
185 HD23 LEU 28 2HD2 LEU 28 -3.629 2.249 -2.370
186 H ALA 29 H ALA 29 -4.278 5.153 0.681
187 HA ALA 29 HA ALA 29 -2.184 6.305 -0.620
188 HB1 ALA 29 3HB ALA 29 -4.587 7.707 0.542
189 HB2 ALA 29 1HB ALA 29 -3.503 8.396 -0.667
190 HB3 ALA 29 2HB ALA 29 -4.461 6.966 -1.054
191 H ARG 30 H ARG 30 -3.343 7.198 2.624
192 HA ARG 30 HA ARG 30 -1.517 9.250 3.119
193 HB2 ARG 30 1HB ARG 30 -2.097 9.035 5.429
194 HB3 ARG 30 2HB ARG 30 -3.545 8.699 4.490
195 HG2 ARG 30 1HG ARG 30 -3.346 6.359 4.874
196 HG3 ARG 30 2HG ARG 30 -1.743 6.556 5.586
197 HD2 ARG 30 1HD ARG 30 -2.763 7.891 7.403
198 HD3 ARG 30 2HD ARG 30 -4.352 7.570 6.709
199 HE ARG 30 HE ARG 30 -4.295 5.494 7.658
200 HH11 ARG 30 1HH1 ARG 30 -1.057 6.771 7.552
201 HH12 ARG 30 2HH1 ARG 30 -0.374 5.469 8.470
202 HH21 ARG 30 1HH2 ARG 30 -3.407 3.776 8.867
203 HH22 ARG 30 2HH2 ARG 30 -1.712 3.766 9.216
204 H HIS 31 H HIS 31 -1.250 5.765 3.608
205 HA HIS 31 HA HIS 31 1.183 5.771 5.022
206 HB2 HIS 31 1HB HIS 31 0.146 3.719 5.142
207 HB3 HIS 31 2HB HIS 31 -0.354 3.751 3.454
208 HD1 HIS 31 HD1 HIS 31 2.647 3.013 5.611
209 HD2 HIS 31 HD2 HIS 31 1.362 2.505 1.693
210 HE1 HIS 31 HE1 HIS 31 4.346 1.503 4.537
211 H ARG 32 H ARG 32 0.508 5.408 1.549
212 HA ARG 32 HA ARG 32 3.005 4.957 0.552
213 HB2 ARG 32 1HB ARG 32 0.692 6.548 -0.496
214 HB3 ARG 32 2HB ARG 32 2.201 6.504 -1.398
215 HG2 ARG 32 1HG ARG 32 2.058 4.042 -1.456
216 HG3 ARG 32 2HG ARG 32 0.499 4.141 -0.634
217 HD2 ARG 32 1HD ARG 32 0.188 3.885 -3.031
218 HD3 ARG 32 2HD ARG 32 -0.392 5.461 -2.494
219 HE ARG 32 HE ARG 32 1.862 4.927 -4.231
220 HH11 ARG 32 1HH1 ARG 32 0.213 7.232 -2.210
221 HH12 ARG 32 2HH1 ARG 32 0.933 8.612 -2.972
222 HH21 ARG 32 1HH2 ARG 32 2.817 6.735 -5.242
223 HH22 ARG 32 2HH2 ARG 32 2.413 8.327 -4.697
224 H GLY 33 H GLY 33 1.892 7.794 2.149
225 HA2 GLY 33 1HA GLY 33 3.590 9.749 1.102
226 HA3 GLY 33 2HA GLY 33 2.949 9.743 2.738
227 H ILE 34 H ILE 34 4.183 7.350 3.629
228 HA ILE 34 HA ILE 34 6.589 8.298 4.622
229 HB ILE 34 HB ILE 34 7.033 6.116 5.440
230 HG12 ILE 34 1HG1 ILE 34 5.007 5.017 3.484
231 HG13 ILE 34 2HG1 ILE 34 6.746 4.986 3.212
232 HG21 ILE 34 1HG2 ILE 34 5.121 5.716 6.670
233 HG22 ILE 34 2HG2 ILE 34 4.866 7.375 6.130
234 HG23 ILE 34 3HG2 ILE 34 4.050 6.045 5.307
235 HD11 ILE 34 3HD1 ILE 34 6.674 3.816 5.606
236 HD12 ILE 34 1HD1 ILE 34 5.076 3.359 5.017
237 HD13 ILE 34 2HD1 ILE 34 6.514 2.925 4.092
238 H HIS 35 H HIS 35 5.895 6.913 1.549
239 HA HIS 35 HA HIS 35 8.687 6.317 0.980
240 HB2 HIS 35 1HB HIS 35 6.237 6.082 -0.779
241 HB3 HIS 35 2HB HIS 35 7.851 5.506 -1.187
242 HD1 HIS 35 HD1 HIS 35 8.766 3.800 0.939
243 HD2 HIS 35 HD2 HIS 35 4.713 4.026 0.050
244 HE1 HIS 35 HE1 HIS 35 7.753 1.697 1.875
245 H THR 36 H THR 36 6.151 8.550 -0.072
246 HA THR 36 HA THR 36 8.254 10.257 -1.230
247 HB THR 36 HB THR 36 7.209 9.544 -3.174
248 HG1 THR 36 HG1 THR 36 5.578 11.344 -3.608
249 HG21 THR 36 3HG2 THR 36 4.933 9.109 -1.412
250 HG22 THR 36 1HG2 THR 36 5.377 8.284 -2.905
251 HG23 THR 36 2HG2 THR 36 4.465 9.792 -2.969
252 H GLY 37 H GLY 37 8.401 11.708 0.431
253 HA2 GLY 37 1HA GLY 37 7.189 13.981 0.696
254 HA3 GLY 37 2HA GLY 37 5.919 12.973 1.373
255 H GLU 38 H GLU 38 6.031 12.366 3.468
256 HA GLU 38 HA GLU 38 8.011 13.637 5.115
257 HB2 GLU 38 1HB GLU 38 5.502 13.220 5.630
258 HB3 GLU 38 2HB GLU 38 6.027 11.612 6.106
259 HG2 GLU 38 1HG GLU 38 7.402 13.995 7.248
260 HG3 GLU 38 2HG GLU 38 5.822 13.519 7.868
261 H LYS 39 H LYS 39 10.004 12.776 5.021
262 HA LYS 39 HA LYS 39 10.931 10.347 4.415
263 HB2 LYS 39 1HB LYS 39 11.866 12.006 6.763
264 HB3 LYS 39 2HB LYS 39 12.782 10.691 6.038
265 HG2 LYS 39 1HG LYS 39 11.866 12.976 4.349
266 HG3 LYS 39 2HG LYS 39 13.293 13.143 5.374
267 HD2 LYS 39 1HD LYS 39 13.063 10.748 3.615
268 HD3 LYS 39 2HD LYS 39 13.490 12.298 2.886
269 HE2 LYS 39 1HE LYS 39 15.421 12.501 4.264
270 HE3 LYS 39 2HE LYS 39 14.928 11.134 5.262
271 HZ1 LYS 39 3HZ LYS 39 16.088 11.141 2.565
272 HZ2 LYS 39 1HZ LYS 39 15.058 9.873 3.007
273 HZ3 LYS 39 2HZ LYS 39 16.467 10.167 3.896
274 HA PRO 40 HA PRO 40 9.254 7.345 7.162
275 HB2 PRO 40 1HB PRO 40 11.140 5.411 6.894
276 HB3 PRO 40 2HB PRO 40 9.953 5.776 5.636
277 HG2 PRO 40 1HG PRO 40 12.810 6.645 5.855
278 HG3 PRO 40 2HG PRO 40 11.922 6.067 4.433
279 HD2 PRO 40 1HD PRO 40 12.388 8.695 4.892
280 HD3 PRO 40 2HD PRO 40 10.927 8.114 4.067
281 H SER 41 H SER 41 10.137 5.770 8.936
282 HA SER 41 HA SER 41 12.388 6.790 10.435
283 HB2 SER 41 1HB SER 41 9.608 6.917 11.628
284 HB3 SER 41 2HB SER 41 11.114 7.309 12.457
285 HG SER 41 HG SER 41 11.326 9.112 11.254
286 H GLY 42 H GLY 42 13.419 4.965 10.905
287 HA2 GLY 42 1HA GLY 42 12.853 3.100 12.716
288 HA3 GLY 42 2HA GLY 42 11.919 2.506 11.350
289 HA PRO 43 HA PRO 43 16.102 0.587 11.065
290 HB2 PRO 43 1HB PRO 43 15.171 -1.854 10.323
291 HB3 PRO 43 2HB PRO 43 15.313 -1.352 12.012
292 HG2 PRO 43 1HG PRO 43 12.898 -1.389 10.243
293 HG3 PRO 43 2HG PRO 43 13.052 -1.890 11.937
294 HD2 PRO 43 1HD PRO 43 12.007 0.501 11.215
295 HD3 PRO 43 2HD PRO 43 12.919 0.273 12.721
296 H SER 44 H SER 44 13.407 0.982 8.939
297 HA SER 44 HA SER 44 13.172 0.880 6.660
298 HB2 SER 44 1HB SER 44 14.698 2.300 5.486
299 HB3 SER 44 2HB SER 44 14.545 2.958 7.115
300 HG SER 44 HG SER 44 16.606 2.687 7.328
301 H SER 45 H SER 45 13.934 -1.589 7.624
302 HA SER 45 HA SER 45 15.716 -2.549 5.483
303 HB2 SER 45 1HB SER 45 16.621 -2.636 7.906
304 HB3 SER 45 2HB SER 45 15.471 -3.953 8.134
305 HG SER 45 HG SER 45 16.497 -4.941 6.257
306 H GLY 46 H GLY 46 15.281 -4.701 4.703
307 HA2 GLY 46 1HA GLY 46 12.628 -5.767 5.378
308 HA3 GLY 46 2HA GLY 46 12.974 -5.362 3.703
Start of MODEL 13
1 H1 GLY 1 H GLY 1 5.006 -35.330 6.106
2 HA2 GLY 1 1HA GLY 1 6.752 -33.307 6.952
3 HA3 GLY 1 2HA GLY 1 6.619 -33.208 5.203
4 H SER 2 H SER 2 5.603 -31.192 5.286
5 HA SER 2 HA SER 2 2.835 -31.262 6.298
6 HB2 SER 2 1HB SER 2 4.757 -28.926 6.196
7 HB3 SER 2 2HB SER 2 3.043 -28.783 6.590
8 HG SER 2 HG SER 2 3.488 -29.418 8.534
9 H SER 3 H SER 3 1.447 -29.544 5.173
10 HA SER 3 HA SER 3 1.940 -29.755 2.281
11 HB2 SER 3 1HB SER 3 -0.654 -29.357 3.791
12 HB3 SER 3 2HB SER 3 -0.508 -29.427 2.035
13 HG SER 3 HG SER 3 -1.089 -31.447 3.068
14 H GLY 4 H GLY 4 0.414 -27.526 4.618
15 HA2 GLY 4 1HA GLY 4 1.584 -25.242 4.522
16 HA3 GLY 4 2HA GLY 4 1.133 -25.302 2.825
17 H SER 5 H SER 5 0.007 -24.872 6.086
18 HA SER 5 HA SER 5 -2.750 -24.501 5.237
19 HB2 SER 5 1HB SER 5 -1.423 -24.326 7.950
20 HB3 SER 5 2HB SER 5 -3.144 -24.052 7.677
21 HG SER 5 HG SER 5 -1.916 -26.420 6.779
22 H SER 6 H SER 6 -3.599 -22.606 4.695
23 HA SER 6 HA SER 6 -2.356 -20.141 5.694
24 HB2 SER 6 1HB SER 6 -3.100 -20.685 2.809
25 HB3 SER 6 2HB SER 6 -2.607 -19.115 3.444
26 HG SER 6 HG SER 6 -0.919 -21.263 3.960
27 H GLY 7 H GLY 7 -3.754 -18.292 5.696
28 HA2 GLY 7 1HA GLY 7 -6.416 -18.260 4.863
29 HA3 GLY 7 2HA GLY 7 -6.397 -18.888 6.504
30 H THR 8 H THR 8 -4.346 -16.394 5.043
31 HA THR 8 HA THR 8 -5.018 -14.610 7.245
32 HB THR 8 HB THR 8 -2.649 -14.880 6.637
33 HG1 THR 8 HG1 THR 8 -2.273 -12.530 6.324
34 HG21 THR 8 3HG2 THR 8 -2.057 -13.509 4.456
35 HG22 THR 8 1HG2 THR 8 -3.671 -14.026 3.973
36 HG23 THR 8 2HG2 THR 8 -2.445 -15.227 4.380
37 H GLY 9 H GLY 9 -5.922 -12.573 7.009
38 HA2 GLY 9 1HA GLY 9 -7.908 -12.232 5.092
39 HA3 GLY 9 2HA GLY 9 -7.243 -10.941 6.082
40 H GLU 10 H GLU 10 -7.967 -11.523 3.061
41 HA GLU 10 HA GLU 10 -5.524 -10.289 1.967
42 HB2 GLU 10 1HB GLU 10 -6.156 -11.220 -0.203
43 HB3 GLU 10 2HB GLU 10 -6.002 -12.489 1.003
44 HG2 GLU 10 1HG GLU 10 -8.575 -12.141 1.272
45 HG3 GLU 10 2HG GLU 10 -8.442 -11.433 -0.337
46 H LYS 11 H LYS 11 -5.989 -8.147 2.206
47 HA LYS 11 HA LYS 11 -8.564 -7.075 1.468
48 HB2 LYS 11 1HB LYS 11 -6.045 -5.998 2.632
49 HB3 LYS 11 2HB LYS 11 -7.102 -4.867 1.797
50 HG2 LYS 11 1HG LYS 11 -7.617 -4.836 4.133
51 HG3 LYS 11 2HG LYS 11 -8.959 -5.586 3.266
52 HD2 LYS 11 1HD LYS 11 -6.813 -7.351 4.326
53 HD3 LYS 11 2HD LYS 11 -7.955 -6.649 5.475
54 HE2 LYS 11 1HE LYS 11 -9.814 -7.558 4.130
55 HE3 LYS 11 2HE LYS 11 -8.640 -8.312 3.052
56 HZ1 LYS 11 3HZ LYS 11 -9.710 -9.407 5.325
57 HZ2 LYS 11 1HZ LYS 11 -8.137 -8.975 5.776
58 HZ3 LYS 11 2HZ LYS 11 -8.387 -9.997 4.452
59 HA PRO 12 HA PRO 12 -7.713 -6.265 -2.772
60 HB2 PRO 12 1HB PRO 12 -9.417 -4.191 -3.180
61 HB3 PRO 12 2HB PRO 12 -9.963 -5.862 -2.996
62 HG2 PRO 12 1HG PRO 12 -9.903 -3.654 -0.975
63 HG3 PRO 12 2HG PRO 12 -11.176 -4.847 -1.290
64 HD2 PRO 12 1HD PRO 12 -9.426 -5.092 0.762
65 HD3 PRO 12 2HD PRO 12 -10.103 -6.496 -0.088
66 H TYR 13 H TYR 13 -6.804 -4.240 -0.283
67 HA TYR 13 HA TYR 13 -5.525 -2.342 -2.140
68 HB2 TYR 13 1HB TYR 13 -6.292 -1.916 0.755
69 HB3 TYR 13 2HB TYR 13 -5.470 -0.741 -0.265
70 HD1 TYR 13 HD2 TYR 13 -8.653 -2.500 0.324
71 HD2 TYR 13 HD1 TYR 13 -6.676 0.559 -1.875
72 HE1 TYR 13 HE2 TYR 13 -10.831 -1.644 -0.433
73 HE2 TYR 13 HE1 TYR 13 -8.849 1.425 -2.636
74 HH TYR 13 HH TYR 13 -11.695 -0.290 -2.400
75 H LYS 14 H LYS 14 -3.395 -2.477 -2.297
76 HA LYS 14 HA LYS 14 -1.794 -3.232 0.017
77 HB2 LYS 14 1HB LYS 14 -2.049 -5.387 -0.902
78 HB3 LYS 14 2HB LYS 14 -1.914 -4.793 -2.552
79 HG2 LYS 14 1HG LYS 14 0.431 -4.403 -2.291
80 HG3 LYS 14 2HG LYS 14 0.346 -4.762 -0.565
81 HD2 LYS 14 1HD LYS 14 -0.645 -7.049 -1.472
82 HD3 LYS 14 2HD LYS 14 0.291 -6.601 -2.900
83 HE2 LYS 14 1HE LYS 14 1.805 -7.848 -1.666
84 HE3 LYS 14 2HE LYS 14 2.212 -6.192 -1.220
85 HZ1 LYS 14 3HZ LYS 14 0.414 -6.759 0.644
86 HZ2 LYS 14 1HZ LYS 14 2.069 -7.049 0.843
87 HZ3 LYS 14 2HZ LYS 14 1.039 -8.310 0.387
88 H CYS 15 H CYS 15 0.092 -2.154 0.105
89 HA CYS 15 HA CYS 15 0.608 -0.104 -1.816
90 HB2 CYS 15 1HB CYS 15 1.120 0.391 0.458
91 HB3 CYS 15 2HB CYS 15 2.102 -1.061 0.624
92 H ASN 16 H ASN 16 2.504 0.166 -3.085
93 HA ASN 16 HA ASN 16 3.639 -2.391 -3.981
94 HB2 ASN 16 1HB ASN 16 3.498 0.290 -5.380
95 HB3 ASN 16 2HB ASN 16 4.236 -1.161 -6.054
96 HD21 ASN 16 1HD2 ASN 16 1.333 0.540 -5.454
97 HD22 ASN 16 2HD2 ASN 16 0.252 -0.589 -6.192
98 H GLU 17 H GLU 17 4.455 0.755 -2.711
99 HA GLU 17 HA GLU 17 7.184 0.841 -3.257
100 HB2 GLU 17 1HB GLU 17 5.651 1.895 -0.877
101 HB3 GLU 17 2HB GLU 17 7.331 2.287 -1.213
102 HG2 GLU 17 1HG GLU 17 5.259 2.777 -3.299
103 HG3 GLU 17 2HG GLU 17 5.432 3.900 -1.951
104 H CYS 18 H CYS 18 5.590 -0.338 -0.290
105 HA CYS 18 HA CYS 18 8.038 -1.851 0.325
106 HB2 CYS 18 1HB CYS 18 7.197 -1.918 2.650
107 HB3 CYS 18 2HB CYS 18 7.417 -0.271 2.068
108 H GLY 19 H GLY 19 4.501 -2.090 0.233
109 HA2 GLY 19 1HA GLY 19 3.610 -4.126 -0.841
110 HA3 GLY 19 2HA GLY 19 4.814 -5.025 0.070
111 H LYS 20 H LYS 20 3.267 -2.416 1.684
112 HA LYS 20 HA LYS 20 2.195 -4.136 3.678
113 HB2 LYS 20 1HB LYS 20 2.968 -1.602 3.757
114 HB3 LYS 20 2HB LYS 20 1.268 -1.311 3.413
115 HG2 LYS 20 1HG LYS 20 0.579 -2.076 5.447
116 HG3 LYS 20 2HG LYS 20 1.948 -3.176 5.622
117 HD2 LYS 20 1HD LYS 20 3.415 -1.386 6.184
118 HD3 LYS 20 2HD LYS 20 2.210 -0.176 5.735
119 HE2 LYS 20 1HE LYS 20 1.945 -0.162 8.002
120 HE3 LYS 20 2HE LYS 20 0.787 -1.421 7.576
121 HZ1 LYS 20 3HZ LYS 20 2.095 -3.047 8.436
122 HZ2 LYS 20 1HZ LYS 20 2.590 -1.776 9.437
123 HZ3 LYS 20 2HZ LYS 20 3.543 -2.233 8.117
124 H VAL 21 H VAL 21 -0.176 -3.718 4.417
125 HA VAL 21 HA VAL 21 -1.974 -3.697 2.093
126 HB VAL 21 HB VAL 21 -1.931 -5.774 4.282
127 HG11 VAL 21 1HG1 VAL 21 -4.079 -5.005 2.348
128 HG12 VAL 21 2HG1 VAL 21 -3.925 -6.677 2.891
129 HG13 VAL 21 3HG1 VAL 21 -4.205 -5.390 4.064
130 HG21 VAL 21 3HG2 VAL 21 -1.740 -7.345 2.400
131 HG22 VAL 21 1HG2 VAL 21 -1.693 -5.983 1.282
132 HG23 VAL 21 2HG2 VAL 21 -0.393 -6.209 2.451
133 H PHE 22 H PHE 22 -4.071 -2.971 2.489
134 HA PHE 22 HA PHE 22 -4.743 -2.099 5.192
135 HB2 PHE 22 1HB PHE 22 -4.908 -0.183 2.863
136 HB3 PHE 22 2HB PHE 22 -5.196 0.168 4.564
137 HD1 PHE 22 HD2 PHE 22 -2.586 -0.727 2.107
138 HD2 PHE 22 HD1 PHE 22 -3.437 0.779 5.996
139 HE1 PHE 22 HE2 PHE 22 -0.228 -0.073 2.366
140 HE2 PHE 22 HE1 PHE 22 -1.081 1.437 6.261
141 HZ PHE 22 HZ PHE 22 0.527 1.010 4.445
142 H THR 23 H THR 23 -7.026 -1.219 5.259
143 HA THR 23 HA THR 23 -8.709 -2.897 3.534
144 HB THR 23 HB THR 23 -9.563 -1.521 6.081
145 HG1 THR 23 HG1 THR 23 -8.071 -2.915 6.829
146 HG21 THR 23 3HG2 THR 23 -11.191 -2.493 4.277
147 HG22 THR 23 1HG2 THR 23 -11.475 -2.815 5.987
148 HG23 THR 23 2HG2 THR 23 -10.720 -4.044 4.972
149 H GLN 24 H GLN 24 -7.977 0.382 4.334
150 HA GLN 24 HA GLN 24 -10.249 1.300 2.701
151 HB2 GLN 24 1HB GLN 24 -8.736 3.189 4.439
152 HB3 GLN 24 2HB GLN 24 -10.435 3.199 3.986
153 HG2 GLN 24 1HG GLN 24 -9.205 1.232 5.900
154 HG3 GLN 24 2HG GLN 24 -10.018 2.719 6.382
155 HE21 GLN 24 1HE2 GLN 24 -12.177 2.825 4.803
156 HE22 GLN 24 2HE2 GLN 24 -13.209 1.467 5.074
157 H ASN 25 H ASN 25 -9.859 3.178 1.328
158 HA ASN 25 HA ASN 25 -7.406 2.883 -0.135
159 HB2 ASN 25 1HB ASN 25 -9.765 3.399 -1.065
160 HB3 ASN 25 2HB ASN 25 -9.425 5.064 -0.602
161 HD21 ASN 25 1HD2 ASN 25 -9.708 5.394 -2.931
162 HD22 ASN 25 2HD2 ASN 25 -8.339 5.184 -3.964
163 H SER 26 H SER 26 -8.744 5.179 2.140
164 HA SER 26 HA SER 26 -6.840 7.243 1.685
165 HB2 SER 26 1HB SER 26 -8.552 6.688 4.121
166 HB3 SER 26 2HB SER 26 -7.675 8.186 3.808
167 HG SER 26 HG SER 26 -9.952 8.167 3.188
168 H HIS 27 H HIS 27 -7.102 4.667 4.115
169 HA HIS 27 HA HIS 27 -4.835 5.317 5.612
170 HB2 HIS 27 1HB HIS 27 -6.046 2.594 5.090
171 HB3 HIS 27 2HB HIS 27 -4.883 2.958 6.361
172 HD1 HIS 27 HD1 HIS 27 -6.796 2.089 8.004
173 HD2 HIS 27 HD2 HIS 27 -7.607 5.635 5.997
174 HE1 HIS 27 HE1 HIS 27 -8.718 3.137 9.241
175 H LEU 28 H LEU 28 -5.170 3.646 2.568
176 HA LEU 28 HA LEU 28 -2.489 2.614 2.544
177 HB2 LEU 28 1HB LEU 28 -3.786 1.308 1.214
178 HB3 LEU 28 2HB LEU 28 -4.802 2.653 0.699
179 HG LEU 28 HG LEU 28 -2.950 3.388 -0.801
180 HD11 LEU 28 1HD1 LEU 28 -0.931 2.552 -0.369
181 HD12 LEU 28 2HD1 LEU 28 -1.487 1.084 -1.171
182 HD13 LEU 28 3HD1 LEU 28 -1.592 1.223 0.583
183 HD21 LEU 28 3HD2 LEU 28 -4.486 0.877 -1.063
184 HD22 LEU 28 1HD2 LEU 28 -3.186 1.133 -2.228
185 HD23 LEU 28 2HD2 LEU 28 -4.481 2.321 -2.078
186 H ALA 29 H ALA 29 -4.173 5.178 0.727
187 HA ALA 29 HA ALA 29 -1.992 6.152 -0.690
188 HB1 ALA 29 3HB ALA 29 -3.670 8.340 0.038
189 HB2 ALA 29 1HB ALA 29 -3.560 7.491 -1.504
190 HB3 ALA 29 2HB ALA 29 -4.674 6.921 -0.260
191 H ARG 30 H ARG 30 -3.314 7.445 2.365
192 HA ARG 30 HA ARG 30 -1.399 9.376 2.847
193 HB2 ARG 30 1HB ARG 30 -2.158 9.432 5.075
194 HB3 ARG 30 2HB ARG 30 -3.548 8.896 4.139
195 HG2 ARG 30 1HG ARG 30 -3.131 6.595 4.796
196 HG3 ARG 30 2HG ARG 30 -1.697 7.100 5.693
197 HD2 ARG 30 1HD ARG 30 -3.281 8.641 6.987
198 HD3 ARG 30 2HD ARG 30 -4.583 7.682 6.283
199 HE ARG 30 HE ARG 30 -4.091 6.023 7.769
200 HH11 ARG 30 1HH1 ARG 30 -1.342 8.143 7.515
201 HH12 ARG 30 2HH1 ARG 30 -0.456 7.360 8.782
202 HH21 ARG 30 1HH2 ARG 30 -2.936 4.983 9.438
203 HH22 ARG 30 2HH2 ARG 30 -1.363 5.562 9.874
204 H HIS 31 H HIS 31 -1.227 5.918 3.322
205 HA HIS 31 HA HIS 31 1.097 5.905 4.956
206 HB2 HIS 31 1HB HIS 31 -0.017 3.895 5.100
207 HB3 HIS 31 2HB HIS 31 -0.422 3.873 3.386
208 HD1 HIS 31 HD1 HIS 31 2.534 3.272 5.676
209 HD2 HIS 31 HD2 HIS 31 1.237 2.355 1.837
210 HE1 HIS 31 HE1 HIS 31 4.210 1.627 4.775
211 H ARG 32 H ARG 32 0.603 5.392 1.470
212 HA ARG 32 HA ARG 32 3.152 4.844 0.653
213 HB2 ARG 32 1HB ARG 32 0.921 6.381 -0.627
214 HB3 ARG 32 2HB ARG 32 2.479 6.270 -1.434
215 HG2 ARG 32 1HG ARG 32 2.305 3.970 -1.728
216 HG3 ARG 32 2HG ARG 32 1.066 3.811 -0.481
217 HD2 ARG 32 1HD ARG 32 -0.032 3.565 -2.568
218 HD3 ARG 32 2HD ARG 32 -0.446 5.168 -1.963
219 HE ARG 32 HE ARG 32 1.671 5.691 -3.522
220 HH11 ARG 32 1HH1 ARG 32 -1.214 3.821 -4.070
221 HH12 ARG 32 2HH1 ARG 32 -1.251 4.136 -5.773
222 HH21 ARG 32 1HH2 ARG 32 1.633 6.113 -5.763
223 HH22 ARG 32 2HH2 ARG 32 0.369 5.439 -6.736
224 H GLY 33 H GLY 33 1.999 7.765 2.035
225 HA2 GLY 33 1HA GLY 33 3.820 9.616 0.950
226 HA3 GLY 33 2HA GLY 33 3.011 9.771 2.503
227 H ILE 34 H ILE 34 4.105 7.390 3.669
228 HA ILE 34 HA ILE 34 6.368 8.376 4.905
229 HB ILE 34 HB ILE 34 6.712 6.241 5.849
230 HG12 ILE 34 1HG1 ILE 34 5.073 5.043 3.606
231 HG13 ILE 34 2HG1 ILE 34 6.832 5.023 3.673
232 HG21 ILE 34 1HG2 ILE 34 4.158 7.376 5.708
233 HG22 ILE 34 2HG2 ILE 34 3.920 5.636 5.550
234 HG23 ILE 34 3HG2 ILE 34 4.781 6.285 6.945
235 HD11 ILE 34 3HD1 ILE 34 4.856 3.520 5.315
236 HD12 ILE 34 1HD1 ILE 34 6.299 2.945 4.481
237 HD13 ILE 34 2HD1 ILE 34 6.453 3.873 5.973
238 H HIS 35 H HIS 35 6.070 6.848 1.822
239 HA HIS 35 HA HIS 35 8.898 6.251 1.601
240 HB2 HIS 35 1HB HIS 35 6.754 6.126 -0.529
241 HB3 HIS 35 2HB HIS 35 8.359 5.406 -0.611
242 HD1 HIS 35 HD1 HIS 35 8.691 3.724 1.714
243 HD2 HIS 35 HD2 HIS 35 4.941 4.209 -0.007
244 HE1 HIS 35 HE1 HIS 35 7.345 1.738 2.466
245 H THR 36 H THR 36 6.587 8.598 0.327
246 HA THR 36 HA THR 36 8.669 9.958 -1.183
247 HB THR 36 HB THR 36 6.817 11.527 -1.823
248 HG1 THR 36 HG1 THR 36 4.665 10.696 -1.311
249 HG21 THR 36 3HG2 THR 36 6.466 8.574 -2.326
250 HG22 THR 36 1HG2 THR 36 7.338 9.739 -3.323
251 HG23 THR 36 2HG2 THR 36 5.581 9.826 -3.197
252 H GLY 37 H GLY 37 9.414 10.037 1.388
253 HA2 GLY 37 1HA GLY 37 8.664 12.746 2.301
254 HA3 GLY 37 2HA GLY 37 9.161 11.450 3.379
255 H GLU 38 H GLU 38 11.368 10.829 3.439
256 HA GLU 38 HA GLU 38 13.202 12.813 2.264
257 HB2 GLU 38 1HB GLU 38 13.392 11.518 4.989
258 HB3 GLU 38 2HB GLU 38 14.606 12.577 4.286
259 HG2 GLU 38 1HG GLU 38 11.767 13.434 4.754
260 HG3 GLU 38 2HG GLU 38 13.042 13.625 5.955
261 H LYS 39 H LYS 39 13.382 11.240 0.517
262 HA LYS 39 HA LYS 39 14.263 8.618 0.791
263 HB2 LYS 39 1HB LYS 39 14.307 10.653 -1.358
264 HB3 LYS 39 2HB LYS 39 15.451 9.329 -1.532
265 HG2 LYS 39 1HG LYS 39 13.676 8.432 -2.624
266 HG3 LYS 39 2HG LYS 39 13.309 7.879 -0.989
267 HD2 LYS 39 1HD LYS 39 11.281 8.762 -1.630
268 HD3 LYS 39 2HD LYS 39 12.020 10.151 -0.830
269 HE2 LYS 39 1HE LYS 39 12.178 9.655 -3.797
270 HE3 LYS 39 2HE LYS 39 10.923 10.635 -3.040
271 HZ1 LYS 39 3HZ LYS 39 13.789 11.194 -3.339
272 HZ2 LYS 39 1HZ LYS 39 12.969 11.844 -2.009
273 HZ3 LYS 39 2HZ LYS 39 12.463 12.216 -3.579
274 HA PRO 40 HA PRO 40 18.817 10.172 0.419
275 HB2 PRO 40 1HB PRO 40 19.246 12.849 0.576
276 HB3 PRO 40 2HB PRO 40 18.939 12.013 -0.951
277 HG2 PRO 40 1HG PRO 40 17.050 13.578 0.766
278 HG3 PRO 40 2HG PRO 40 17.228 13.588 -0.998
279 HD2 PRO 40 1HD PRO 40 15.265 12.212 0.260
280 HD3 PRO 40 2HD PRO 40 15.997 11.657 -1.259
281 H SER 41 H SER 41 19.279 9.357 2.403
282 HA SER 41 HA SER 41 18.574 10.825 4.806
283 HB2 SER 41 1HB SER 41 18.321 8.388 4.797
284 HB3 SER 41 2HB SER 41 20.040 8.198 4.453
285 HG SER 41 HG SER 41 20.493 8.589 6.480
286 H GLY 42 H GLY 42 20.010 11.753 6.240
287 HA2 GLY 42 1HA GLY 42 22.200 12.225 7.062
288 HA3 GLY 42 2HA GLY 42 22.851 11.779 5.491
289 HA PRO 43 HA PRO 43 21.805 16.471 5.977
290 HB2 PRO 43 1HB PRO 43 24.016 17.423 7.233
291 HB3 PRO 43 2HB PRO 43 22.558 16.925 8.100
292 HG2 PRO 43 1HG PRO 43 25.107 15.419 7.659
293 HG3 PRO 43 2HG PRO 43 24.130 15.558 9.133
294 HD2 PRO 43 1HD PRO 43 24.026 13.389 7.515
295 HD3 PRO 43 2HD PRO 43 22.619 13.965 8.432
296 H SER 44 H SER 44 22.180 17.179 3.976
297 HA SER 44 HA SER 44 24.431 16.436 2.426
298 HB2 SER 44 1HB SER 44 22.401 16.953 1.273
299 HB3 SER 44 2HB SER 44 22.301 18.543 2.030
300 HG SER 44 HG SER 44 23.169 19.007 0.116
301 H SER 45 H SER 45 26.410 17.068 3.032
302 HA SER 45 HA SER 45 27.060 19.387 4.443
303 HB2 SER 45 1HB SER 45 29.409 18.948 3.466
304 HB3 SER 45 2HB SER 45 28.685 17.685 4.461
305 HG SER 45 HG SER 45 29.019 17.777 1.667
306 H GLY 46 H GLY 46 26.276 18.959 1.140
307 HA2 GLY 46 1HA GLY 46 26.573 20.316 -0.728
308 HA3 GLY 46 2HA GLY 46 25.881 21.490 0.381
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.877 -21.690 -20.831
2 HA2 GLY 1 1HA GLY 1 -6.875 -23.144 -21.459
3 HA3 GLY 1 2HA GLY 1 -5.935 -21.720 -21.036
4 H SER 2 H SER 2 -6.824 -24.636 -19.930
5 HA SER 2 HA SER 2 -7.784 -24.455 -17.392
6 HB2 SER 2 1HB SER 2 -6.722 -26.524 -16.911
7 HB3 SER 2 2HB SER 2 -7.024 -26.543 -18.648
8 HG SER 2 HG SER 2 -4.965 -26.947 -18.771
9 H SER 3 H SER 3 -6.862 -24.267 -15.302
10 HA SER 3 HA SER 3 -4.154 -23.329 -14.995
11 HB2 SER 3 1HB SER 3 -5.532 -21.301 -15.713
12 HB3 SER 3 2HB SER 3 -6.353 -21.437 -14.158
13 HG SER 3 HG SER 3 -4.442 -20.003 -14.292
14 H GLY 4 H GLY 4 -3.622 -22.908 -12.694
15 HA2 GLY 4 1HA GLY 4 -5.436 -23.638 -10.627
16 HA3 GLY 4 2HA GLY 4 -4.393 -24.991 -11.041
17 H SER 5 H SER 5 -4.634 -21.956 -9.443
18 HA SER 5 HA SER 5 -1.958 -22.362 -8.325
19 HB2 SER 5 1HB SER 5 -1.490 -20.718 -9.975
20 HB3 SER 5 2HB SER 5 -2.964 -19.823 -9.609
21 HG SER 5 HG SER 5 -0.662 -20.091 -7.973
22 H SER 6 H SER 6 -1.622 -21.276 -6.285
23 HA SER 6 HA SER 6 -3.946 -21.379 -4.627
24 HB2 SER 6 1HB SER 6 -2.472 -21.065 -2.797
25 HB3 SER 6 2HB SER 6 -1.556 -22.012 -3.970
26 HG SER 6 HG SER 6 -0.497 -20.099 -2.973
27 H GLY 7 H GLY 7 -4.781 -19.674 -3.308
28 HA2 GLY 7 1HA GLY 7 -4.513 -17.038 -4.604
29 HA3 GLY 7 2HA GLY 7 -5.948 -17.600 -3.759
30 H THR 8 H THR 8 -3.258 -15.668 -3.535
31 HA THR 8 HA THR 8 -2.641 -15.959 -0.765
32 HB THR 8 HB THR 8 -1.408 -13.843 -1.007
33 HG1 THR 8 HG1 THR 8 -2.048 -12.502 -2.502
34 HG21 THR 8 3HG2 THR 8 -0.806 -16.243 -2.166
35 HG22 THR 8 1HG2 THR 8 0.297 -14.872 -2.054
36 HG23 THR 8 2HG2 THR 8 -0.639 -15.133 -3.526
37 H GLY 9 H GLY 9 -3.412 -14.886 0.992
38 HA2 GLY 9 1HA GLY 9 -5.980 -13.607 0.729
39 HA3 GLY 9 2HA GLY 9 -5.112 -13.911 2.227
40 H GLU 10 H GLU 10 -4.691 -11.921 -0.707
41 HA GLU 10 HA GLU 10 -3.736 -9.743 1.019
42 HB2 GLU 10 1HB GLU 10 -2.762 -8.779 -1.012
43 HB3 GLU 10 2HB GLU 10 -2.190 -10.421 -0.749
44 HG2 GLU 10 1HG GLU 10 -3.706 -11.259 -2.432
45 HG3 GLU 10 2HG GLU 10 -4.390 -9.649 -2.652
46 H LYS 11 H LYS 11 -4.281 -7.501 0.131
47 HA LYS 11 HA LYS 11 -7.120 -7.456 -0.661
48 HB2 LYS 11 1HB LYS 11 -5.583 -5.845 1.335
49 HB3 LYS 11 2HB LYS 11 -6.949 -5.102 0.515
50 HG2 LYS 11 1HG LYS 11 -7.868 -5.943 2.471
51 HG3 LYS 11 2HG LYS 11 -8.271 -7.168 1.265
52 HD2 LYS 11 1HD LYS 11 -6.072 -8.299 2.021
53 HD3 LYS 11 2HD LYS 11 -6.213 -7.263 3.443
54 HE2 LYS 11 1HE LYS 11 -8.525 -8.938 2.543
55 HE3 LYS 11 2HE LYS 11 -7.227 -9.648 3.501
56 HZ1 LYS 11 3HZ LYS 11 -9.152 -7.551 4.262
57 HZ2 LYS 11 1HZ LYS 11 -7.662 -7.664 5.056
58 HZ3 LYS 11 2HZ LYS 11 -8.738 -8.968 5.087
59 HA PRO 12 HA PRO 12 -6.150 -4.968 -4.142
60 HB2 PRO 12 1HB PRO 12 -8.256 -3.256 -4.224
61 HB3 PRO 12 2HB PRO 12 -8.393 -4.969 -4.641
62 HG2 PRO 12 1HG PRO 12 -9.096 -3.580 -2.085
63 HG3 PRO 12 2HG PRO 12 -9.996 -4.831 -2.962
64 HD2 PRO 12 1HD PRO 12 -8.473 -5.382 -0.791
65 HD3 PRO 12 2HD PRO 12 -8.689 -6.535 -2.124
66 H TYR 13 H TYR 13 -6.178 -3.671 -1.032
67 HA TYR 13 HA TYR 13 -5.204 -1.061 -1.983
68 HB2 TYR 13 1HB TYR 13 -6.191 -1.794 0.781
69 HB3 TYR 13 2HB TYR 13 -5.745 -0.186 0.223
70 HD1 TYR 13 HD2 TYR 13 -8.233 -2.894 -0.136
71 HD2 TYR 13 HD1 TYR 13 -7.281 1.164 -0.990
72 HE1 TYR 13 HE2 TYR 13 -10.554 -2.507 -0.851
73 HE2 TYR 13 HE1 TYR 13 -9.600 1.563 -1.707
74 HH TYR 13 HH TYR 13 -11.692 -0.727 -2.523
75 H LYS 14 H LYS 14 -3.591 -3.441 -1.991
76 HA LYS 14 HA LYS 14 -1.789 -3.197 0.270
77 HB2 LYS 14 1HB LYS 14 -2.096 -5.426 -0.434
78 HB3 LYS 14 2HB LYS 14 -1.907 -5.006 -2.131
79 HG2 LYS 14 1HG LYS 14 0.403 -4.838 -1.964
80 HG3 LYS 14 2HG LYS 14 0.359 -4.659 -0.208
81 HD2 LYS 14 1HD LYS 14 -0.730 -7.074 -0.370
82 HD3 LYS 14 2HD LYS 14 0.181 -7.110 -1.881
83 HE2 LYS 14 1HE LYS 14 2.237 -6.692 -0.724
84 HE3 LYS 14 2HE LYS 14 1.383 -6.405 0.792
85 HZ1 LYS 14 3HZ LYS 14 1.870 -8.546 1.165
86 HZ2 LYS 14 1HZ LYS 14 2.115 -8.903 -0.471
87 HZ3 LYS 14 2HZ LYS 14 0.547 -8.868 0.161
88 H CYS 15 H CYS 15 -0.089 -1.891 0.320
89 HA CYS 15 HA CYS 15 0.569 -0.128 -1.756
90 HB2 CYS 15 1HB CYS 15 1.153 0.536 0.436
91 HB3 CYS 15 2HB CYS 15 2.019 -0.965 0.748
92 H ASN 16 H ASN 16 2.465 0.012 -3.054
93 HA ASN 16 HA ASN 16 3.508 -2.627 -3.812
94 HB2 ASN 16 1HB ASN 16 3.058 -0.072 -5.311
95 HB3 ASN 16 2HB ASN 16 4.275 -1.208 -5.887
96 HD21 ASN 16 1HD2 ASN 16 2.880 -1.298 -7.774
97 HD22 ASN 16 2HD2 ASN 16 1.534 -2.382 -7.771
98 H GLU 17 H GLU 17 4.442 0.585 -2.790
99 HA GLU 17 HA GLU 17 7.151 0.577 -3.360
100 HB2 GLU 17 1HB GLU 17 5.553 1.805 -1.133
101 HB3 GLU 17 2HB GLU 17 7.301 1.985 -1.187
102 HG2 GLU 17 1HG GLU 17 5.586 2.706 -3.533
103 HG3 GLU 17 2HG GLU 17 5.856 3.833 -2.205
104 H CYS 18 H CYS 18 5.711 -0.312 -0.216
105 HA CYS 18 HA CYS 18 8.112 -1.896 0.360
106 HB2 CYS 18 1HB CYS 18 7.323 -1.864 2.703
107 HB3 CYS 18 2HB CYS 18 7.541 -0.243 2.052
108 H GLY 19 H GLY 19 4.563 -2.109 0.504
109 HA2 GLY 19 1HA GLY 19 3.633 -4.181 -0.522
110 HA3 GLY 19 2HA GLY 19 4.850 -5.050 0.400
111 H LYS 20 H LYS 20 3.018 -2.329 1.644
112 HA LYS 20 HA LYS 20 2.072 -3.964 3.835
113 HB2 LYS 20 1HB LYS 20 2.903 -1.460 3.841
114 HB3 LYS 20 2HB LYS 20 1.222 -1.124 3.445
115 HG2 LYS 20 1HG LYS 20 0.450 -1.891 5.480
116 HG3 LYS 20 2HG LYS 20 1.883 -2.880 5.768
117 HD2 LYS 20 1HD LYS 20 3.169 -1.048 6.406
118 HD3 LYS 20 2HD LYS 20 2.093 0.105 5.614
119 HE2 LYS 20 1HE LYS 20 1.801 0.280 7.992
120 HE3 LYS 20 2HE LYS 20 0.353 -0.444 7.295
121 HZ1 LYS 20 3HZ LYS 20 1.374 -2.649 7.896
122 HZ2 LYS 20 1HZ LYS 20 0.864 -1.697 9.198
123 HZ3 LYS 20 2HZ LYS 20 2.508 -1.792 8.813
124 H VAL 21 H VAL 21 -0.222 -3.828 4.535
125 HA VAL 21 HA VAL 21 -2.059 -3.714 2.232
126 HB VAL 21 HB VAL 21 -2.163 -5.719 4.490
127 HG11 VAL 21 1HG1 VAL 21 -4.226 -6.262 3.845
128 HG12 VAL 21 2HG1 VAL 21 -4.233 -4.752 2.932
129 HG13 VAL 21 3HG1 VAL 21 -3.775 -6.260 2.140
130 HG21 VAL 21 3HG2 VAL 21 -0.341 -6.233 2.987
131 HG22 VAL 21 1HG2 VAL 21 -1.659 -7.376 2.726
132 HG23 VAL 21 2HG2 VAL 21 -1.401 -6.052 1.590
133 H PHE 22 H PHE 22 -4.029 -2.782 2.562
134 HA PHE 22 HA PHE 22 -4.739 -1.955 5.283
135 HB2 PHE 22 1HB PHE 22 -4.755 -0.095 2.897
136 HB3 PHE 22 2HB PHE 22 -5.269 0.308 4.532
137 HD1 PHE 22 HD2 PHE 22 -2.390 -0.415 2.378
138 HD2 PHE 22 HD1 PHE 22 -3.679 0.786 6.252
139 HE1 PHE 22 HE2 PHE 22 -0.095 0.287 2.920
140 HE2 PHE 22 HE1 PHE 22 -1.386 1.490 6.801
141 HZ PHE 22 HZ PHE 22 0.410 1.240 5.134
142 H THR 23 H THR 23 -7.012 -1.060 5.350
143 HA THR 23 HA THR 23 -8.720 -2.793 3.725
144 HB THR 23 HB THR 23 -9.396 -1.191 6.200
145 HG1 THR 23 HG1 THR 23 -9.172 -4.013 5.966
146 HG21 THR 23 3HG2 THR 23 -11.111 -2.207 4.259
147 HG22 THR 23 1HG2 THR 23 -11.544 -1.725 5.899
148 HG23 THR 23 2HG2 THR 23 -11.144 -3.407 5.550
149 H GLN 24 H GLN 24 -8.405 0.603 4.700
150 HA GLN 24 HA GLN 24 -10.353 1.340 2.630
151 HB2 GLN 24 1HB GLN 24 -10.588 2.131 5.055
152 HB3 GLN 24 2HB GLN 24 -9.218 3.182 4.725
153 HG2 GLN 24 1HG GLN 24 -11.421 4.287 4.498
154 HG3 GLN 24 2HG GLN 24 -10.431 4.355 3.041
155 HE21 GLN 24 1HE2 GLN 24 -13.206 2.866 4.552
156 HE22 GLN 24 2HE2 GLN 24 -13.949 2.314 3.093
157 H ASN 25 H ASN 25 -9.885 3.021 1.147
158 HA ASN 25 HA ASN 25 -7.343 2.911 -0.012
159 HB2 ASN 25 1HB ASN 25 -8.118 4.893 -1.349
160 HB3 ASN 25 2HB ASN 25 -9.233 3.529 -1.359
161 HD21 ASN 25 1HD2 ASN 25 -11.252 3.791 -0.602
162 HD22 ASN 25 2HD2 ASN 25 -11.868 5.269 0.047
163 H SER 26 H SER 26 -8.814 5.375 2.072
164 HA SER 26 HA SER 26 -6.801 7.279 2.010
165 HB2 SER 26 1HB SER 26 -8.829 7.866 3.089
166 HB3 SER 26 2HB SER 26 -8.734 6.490 4.188
167 HG SER 26 HG SER 26 -6.608 8.262 4.278
168 H HIS 27 H HIS 27 -7.209 4.668 4.407
169 HA HIS 27 HA HIS 27 -4.953 5.065 5.916
170 HB2 HIS 27 1HB HIS 27 -5.923 2.325 5.100
171 HB3 HIS 27 2HB HIS 27 -5.111 2.777 6.596
172 HD1 HIS 27 HD1 HIS 27 -7.899 1.353 6.495
173 HD2 HIS 27 HD2 HIS 27 -7.300 5.439 6.953
174 HE1 HIS 27 HE1 HIS 27 -9.978 2.216 7.617
175 H LEU 28 H LEU 28 -5.209 3.574 2.749
176 HA LEU 28 HA LEU 28 -2.479 2.670 2.715
177 HB2 LEU 28 1HB LEU 28 -3.861 1.361 1.399
178 HB3 LEU 28 2HB LEU 28 -4.721 2.753 0.743
179 HG LEU 28 HG LEU 28 -2.676 3.302 -0.579
180 HD11 LEU 28 1HD1 LEU 28 -0.757 2.243 -0.256
181 HD12 LEU 28 2HD1 LEU 28 -1.525 0.676 -0.512
182 HD13 LEU 28 3HD1 LEU 28 -1.499 1.392 1.100
183 HD21 LEU 28 3HD2 LEU 28 -3.455 2.079 -2.298
184 HD22 LEU 28 1HD2 LEU 28 -4.704 1.599 -1.148
185 HD23 LEU 28 2HD2 LEU 28 -3.307 0.557 -1.419
186 H ALA 29 H ALA 29 -4.206 4.988 0.620
187 HA ALA 29 HA ALA 29 -2.144 6.168 -0.667
188 HB1 ALA 29 3HB ALA 29 -4.813 7.008 0.123
189 HB2 ALA 29 1HB ALA 29 -3.694 8.360 -0.050
190 HB3 ALA 29 2HB ALA 29 -3.952 7.250 -1.397
191 H ARG 30 H ARG 30 -3.342 7.208 2.528
192 HA ARG 30 HA ARG 30 -1.477 9.224 2.982
193 HB2 ARG 30 1HB ARG 30 -2.144 9.173 5.247
194 HB3 ARG 30 2HB ARG 30 -3.561 8.673 4.333
195 HG2 ARG 30 1HG ARG 30 -3.036 6.325 4.842
196 HG3 ARG 30 2HG ARG 30 -1.663 6.864 5.811
197 HD2 ARG 30 1HD ARG 30 -4.534 7.642 6.307
198 HD3 ARG 30 2HD ARG 30 -3.681 6.354 7.156
199 HE ARG 30 HE ARG 30 -3.435 9.178 7.601
200 HH11 ARG 30 1HH1 ARG 30 -1.840 6.096 7.879
201 HH12 ARG 30 2HH1 ARG 30 -0.789 6.608 9.158
202 HH21 ARG 30 1HH2 ARG 30 -2.057 9.864 9.284
203 HH22 ARG 30 2HH2 ARG 30 -0.915 8.752 9.957
204 H HIS 31 H HIS 31 -1.271 5.754 3.563
205 HA HIS 31 HA HIS 31 1.157 5.792 5.010
206 HB2 HIS 31 1HB HIS 31 0.076 3.777 5.266
207 HB3 HIS 31 2HB HIS 31 -0.440 3.717 3.583
208 HD1 HIS 31 HD1 HIS 31 2.555 3.026 5.762
209 HD2 HIS 31 HD2 HIS 31 1.235 2.333 1.884
210 HE1 HIS 31 HE1 HIS 31 4.207 1.412 4.768
211 H ARG 32 H ARG 32 0.456 5.225 1.570
212 HA ARG 32 HA ARG 32 2.973 4.676 0.627
213 HB2 ARG 32 1HB ARG 32 0.672 6.175 -0.596
214 HB3 ARG 32 2HB ARG 32 2.173 5.943 -1.482
215 HG2 ARG 32 1HG ARG 32 1.891 3.642 -1.608
216 HG3 ARG 32 2HG ARG 32 0.738 3.614 -0.272
217 HD2 ARG 32 1HD ARG 32 -0.528 3.278 -2.239
218 HD3 ARG 32 2HD ARG 32 -0.815 4.948 -1.751
219 HE ARG 32 HE ARG 32 1.229 5.174 -3.497
220 HH11 ARG 32 1HH1 ARG 32 -1.866 3.588 -3.655
221 HH12 ARG 32 2HH1 ARG 32 -2.032 3.797 -5.367
222 HH21 ARG 32 1HH2 ARG 32 1.022 5.455 -5.751
223 HH22 ARG 32 2HH2 ARG 32 -0.388 4.858 -6.558
224 H GLY 33 H GLY 33 1.855 7.597 2.014
225 HA2 GLY 33 1HA GLY 33 3.541 9.466 0.750
226 HA3 GLY 33 2HA GLY 33 2.841 9.642 2.352
227 H ILE 34 H ILE 34 4.107 7.235 3.399
228 HA ILE 34 HA ILE 34 6.426 8.337 4.471
229 HB ILE 34 HB ILE 34 6.904 6.215 5.418
230 HG12 ILE 34 1HG1 ILE 34 5.000 4.943 3.444
231 HG13 ILE 34 2HG1 ILE 34 6.747 4.974 3.230
232 HG21 ILE 34 1HG2 ILE 34 4.284 7.307 5.444
233 HG22 ILE 34 2HG2 ILE 34 4.148 5.551 5.523
234 HG23 ILE 34 3HG2 ILE 34 5.117 6.415 6.717
235 HD11 ILE 34 3HD1 ILE 34 5.090 3.276 4.921
236 HD12 ILE 34 1HD1 ILE 34 6.707 3.006 4.270
237 HD13 ILE 34 2HD1 ILE 34 6.496 3.950 5.745
238 H HIS 35 H HIS 35 5.916 6.948 1.403
239 HA HIS 35 HA HIS 35 8.742 6.337 0.996
240 HB2 HIS 35 1HB HIS 35 6.454 6.064 -0.962
241 HB3 HIS 35 2HB HIS 35 8.067 5.376 -1.119
242 HD1 HIS 35 HD1 HIS 35 8.599 3.782 1.217
243 HD2 HIS 35 HD2 HIS 35 4.715 4.154 -0.210
244 HE1 HIS 35 HE1 HIS 35 7.350 1.807 2.146
245 H THR 36 H THR 36 7.257 9.089 1.183
246 HA THR 36 HA THR 36 8.999 10.423 -0.664
247 HB THR 36 HB THR 36 7.376 10.038 -2.322
248 HG1 THR 36 HG1 THR 36 6.774 12.567 -1.145
249 HG21 THR 36 3HG2 THR 36 4.968 11.099 -1.202
250 HG22 THR 36 1HG2 THR 36 5.590 9.837 -0.141
251 HG23 THR 36 2HG2 THR 36 5.273 9.484 -1.839
252 H GLY 37 H GLY 37 8.769 12.817 -0.521
253 HA2 GLY 37 1HA GLY 37 7.923 13.546 2.205
254 HA3 GLY 37 2HA GLY 37 9.162 14.373 1.274
255 H GLU 38 H GLU 38 5.979 14.463 2.282
256 HA GLU 38 HA GLU 38 4.367 15.437 0.395
257 HB2 GLU 38 1HB GLU 38 3.888 15.400 2.850
258 HB3 GLU 38 2HB GLU 38 4.797 16.897 3.005
259 HG2 GLU 38 1HG GLU 38 3.211 17.984 1.463
260 HG3 GLU 38 2HG GLU 38 2.277 16.490 1.410
261 H LYS 39 H LYS 39 4.524 16.853 -1.200
262 HA LYS 39 HA LYS 39 6.429 19.081 -0.927
263 HB2 LYS 39 1HB LYS 39 5.376 17.741 -3.424
264 HB3 LYS 39 2HB LYS 39 6.472 19.116 -3.404
265 HG2 LYS 39 1HG LYS 39 7.950 17.525 -1.940
266 HG3 LYS 39 2HG LYS 39 6.988 16.266 -2.717
267 HD2 LYS 39 1HD LYS 39 7.622 17.153 -4.916
268 HD3 LYS 39 2HD LYS 39 8.598 18.395 -4.128
269 HE2 LYS 39 1HE LYS 39 9.029 15.443 -3.725
270 HE3 LYS 39 2HE LYS 39 9.859 16.381 -4.966
271 HZ1 LYS 39 3HZ LYS 39 11.057 17.548 -3.408
272 HZ2 LYS 39 1HZ LYS 39 10.969 16.026 -2.674
273 HZ3 LYS 39 2HZ LYS 39 9.946 17.272 -2.163
274 HA PRO 40 HA PRO 40 3.080 21.936 -1.042
275 HB2 PRO 40 1HB PRO 40 4.407 24.122 -1.953
276 HB3 PRO 40 2HB PRO 40 4.589 23.505 -0.307
277 HG2 PRO 40 1HG PRO 40 6.362 23.107 -2.685
278 HG3 PRO 40 2HG PRO 40 6.806 23.457 -1.005
279 HD2 PRO 40 1HD PRO 40 6.931 20.964 -2.055
280 HD3 PRO 40 2HD PRO 40 6.549 21.263 -0.347
281 H SER 41 H SER 41 1.556 22.637 -2.459
282 HA SER 41 HA SER 41 1.856 21.881 -5.225
283 HB2 SER 41 1HB SER 41 -0.442 23.111 -3.689
284 HB3 SER 41 2HB SER 41 -0.523 22.689 -5.400
285 HG SER 41 HG SER 41 0.157 20.842 -3.359
286 H GLY 42 H GLY 42 3.556 23.378 -5.790
287 HA2 GLY 42 1HA GLY 42 2.479 25.840 -6.854
288 HA3 GLY 42 2HA GLY 42 3.678 26.071 -5.590
289 HA PRO 43 HA PRO 43 5.875 25.849 -9.670
290 HB2 PRO 43 1HB PRO 43 7.428 28.030 -9.221
291 HB3 PRO 43 2HB PRO 43 5.809 28.132 -9.921
292 HG2 PRO 43 1HG PRO 43 6.684 28.599 -7.096
293 HG3 PRO 43 2HG PRO 43 5.546 29.534 -8.084
294 HD2 PRO 43 1HD PRO 43 4.732 27.745 -6.221
295 HD3 PRO 43 2HD PRO 43 3.815 28.058 -7.708
296 H SER 44 H SER 44 8.420 26.178 -9.888
297 HA SER 44 HA SER 44 9.614 24.155 -8.347
298 HB2 SER 44 1HB SER 44 10.808 26.289 -10.123
299 HB3 SER 44 2HB SER 44 11.768 25.014 -9.372
300 HG SER 44 HG SER 44 10.270 24.904 -11.592
301 H SER 45 H SER 45 10.142 27.679 -8.283
302 HA SER 45 HA SER 45 10.947 29.072 -6.674
303 HB2 SER 45 1HB SER 45 8.991 27.790 -5.466
304 HB3 SER 45 2HB SER 45 10.307 27.059 -4.548
305 HG SER 45 HG SER 45 9.211 29.468 -4.242
306 H GLY 46 H GLY 46 12.845 27.475 -7.911
307 HA2 GLY 46 1HA GLY 46 15.032 26.812 -7.701
308 HA3 GLY 46 2HA GLY 46 15.052 27.752 -6.216
Start of MODEL 15
1 H1 GLY 1 H GLY 1 2.031 -29.018 3.262
2 HA2 GLY 1 1HA GLY 1 1.482 -29.529 6.037
3 HA3 GLY 1 2HA GLY 1 3.086 -28.860 5.775
4 H SER 2 H SER 2 2.573 -27.102 3.689
5 HA SER 2 HA SER 2 1.851 -24.786 4.957
6 HB2 SER 2 1HB SER 2 1.740 -25.563 2.050
7 HB3 SER 2 2HB SER 2 1.287 -23.944 2.582
8 HG SER 2 HG SER 2 3.774 -25.129 2.433
9 H SER 3 H SER 3 0.029 -24.524 6.090
10 HA SER 3 HA SER 3 -2.517 -25.400 4.927
11 HB2 SER 3 1HB SER 3 -1.555 -24.890 7.706
12 HB3 SER 3 2HB SER 3 -3.269 -24.651 7.365
13 HG SER 3 HG SER 3 -1.866 -27.014 6.677
14 H GLY 4 H GLY 4 -4.372 -23.982 5.022
15 HA2 GLY 4 1HA GLY 4 -4.640 -21.415 5.749
16 HA3 GLY 4 2HA GLY 4 -3.643 -21.264 4.310
17 H SER 5 H SER 5 -4.751 -23.300 2.749
18 HA SER 5 HA SER 5 -6.400 -23.631 1.217
19 HB2 SER 5 1HB SER 5 -7.910 -23.133 3.747
20 HB3 SER 5 2HB SER 5 -8.810 -23.194 2.232
21 HG SER 5 HG SER 5 -7.355 -25.245 2.021
22 H SER 6 H SER 6 -5.127 -21.200 1.024
23 HA SER 6 HA SER 6 -6.999 -19.038 0.852
24 HB2 SER 6 1HB SER 6 -5.178 -17.727 0.058
25 HB3 SER 6 2HB SER 6 -4.493 -18.828 1.254
26 HG SER 6 HG SER 6 -4.014 -18.642 -1.434
27 H GLY 7 H GLY 7 -7.655 -17.950 -1.078
28 HA2 GLY 7 1HA GLY 7 -7.480 -19.548 -3.542
29 HA3 GLY 7 2HA GLY 7 -9.058 -19.064 -2.940
30 H THR 8 H THR 8 -5.901 -17.669 -3.810
31 HA THR 8 HA THR 8 -5.371 -15.562 -4.572
32 HB THR 8 HB THR 8 -7.649 -15.781 -6.490
33 HG1 THR 8 HG1 THR 8 -5.356 -17.427 -6.758
34 HG21 THR 8 3HG2 THR 8 -4.735 -15.399 -7.100
35 HG22 THR 8 1HG2 THR 8 -5.724 -14.061 -6.517
36 HG23 THR 8 2HG2 THR 8 -6.141 -14.873 -8.026
37 H GLY 9 H GLY 9 -6.795 -15.145 -2.337
38 HA2 GLY 9 1HA GLY 9 -8.627 -12.953 -3.094
39 HA3 GLY 9 2HA GLY 9 -8.937 -14.002 -1.719
40 H GLU 10 H GLU 10 -6.514 -11.743 -3.008
41 HA GLU 10 HA GLU 10 -5.632 -11.171 -0.277
42 HB2 GLU 10 1HB GLU 10 -4.462 -10.752 -2.992
43 HB3 GLU 10 2HB GLU 10 -3.960 -9.685 -1.688
44 HG2 GLU 10 1HG GLU 10 -3.318 -11.674 -0.366
45 HG3 GLU 10 2HG GLU 10 -3.715 -12.683 -1.756
46 H LYS 11 H LYS 11 -5.348 -8.942 0.402
47 HA LYS 11 HA LYS 11 -7.660 -7.399 0.088
48 HB2 LYS 11 1HB LYS 11 -5.726 -7.383 1.900
49 HB3 LYS 11 2HB LYS 11 -5.102 -6.085 0.890
50 HG2 LYS 11 1HG LYS 11 -6.417 -5.163 2.680
51 HG3 LYS 11 2HG LYS 11 -7.241 -4.893 1.142
52 HD2 LYS 11 1HD LYS 11 -8.780 -6.668 1.574
53 HD3 LYS 11 2HD LYS 11 -7.864 -7.192 2.989
54 HE2 LYS 11 1HE LYS 11 -9.615 -6.005 3.932
55 HE3 LYS 11 2HE LYS 11 -8.327 -4.803 3.871
56 HZ1 LYS 11 3HZ LYS 11 -9.340 -4.130 1.662
57 HZ2 LYS 11 1HZ LYS 11 -10.212 -3.723 3.054
58 HZ3 LYS 11 2HZ LYS 11 -10.691 -5.044 2.111
59 HA PRO 12 HA PRO 12 -6.923 -5.373 -3.770
60 HB2 PRO 12 1HB PRO 12 -8.808 -3.435 -3.523
61 HB3 PRO 12 2HB PRO 12 -9.204 -5.119 -3.887
62 HG2 PRO 12 1HG PRO 12 -9.308 -3.671 -1.268
63 HG3 PRO 12 2HG PRO 12 -10.476 -4.809 -1.965
64 HD2 PRO 12 1HD PRO 12 -8.683 -5.539 -0.072
65 HD3 PRO 12 2HD PRO 12 -9.246 -6.654 -1.334
66 H TYR 13 H TYR 13 -6.384 -4.032 -0.696
67 HA TYR 13 HA TYR 13 -5.127 -1.648 -1.888
68 HB2 TYR 13 1HB TYR 13 -6.124 -1.991 0.947
69 HB3 TYR 13 2HB TYR 13 -5.429 -0.528 0.259
70 HD1 TYR 13 HD2 TYR 13 -8.382 -2.699 0.352
71 HD2 TYR 13 HD1 TYR 13 -6.716 0.882 -1.229
72 HE1 TYR 13 HE2 TYR 13 -10.624 -1.973 -0.352
73 HE2 TYR 13 HE1 TYR 13 -8.953 1.618 -1.936
74 HH TYR 13 HH TYR 13 -11.135 1.184 -1.888
75 H LYS 14 H LYS 14 -3.111 -2.499 -2.279
76 HA LYS 14 HA LYS 14 -1.522 -3.097 0.116
77 HB2 LYS 14 1HB LYS 14 -1.865 -5.263 -0.750
78 HB3 LYS 14 2HB LYS 14 -1.687 -4.719 -2.413
79 HG2 LYS 14 1HG LYS 14 0.673 -4.407 -2.119
80 HG3 LYS 14 2HG LYS 14 0.545 -4.754 -0.393
81 HD2 LYS 14 1HD LYS 14 -0.436 -7.018 -1.153
82 HD3 LYS 14 2HD LYS 14 0.270 -6.623 -2.722
83 HE2 LYS 14 1HE LYS 14 1.993 -7.794 -1.764
84 HE3 LYS 14 2HE LYS 14 2.413 -6.150 -1.284
85 HZ1 LYS 14 3HZ LYS 14 2.101 -6.627 0.858
86 HZ2 LYS 14 1HZ LYS 14 2.157 -8.254 0.396
87 HZ3 LYS 14 2HZ LYS 14 0.666 -7.476 0.574
88 H CYS 15 H CYS 15 0.227 -1.859 0.242
89 HA CYS 15 HA CYS 15 0.881 0.069 -1.686
90 HB2 CYS 15 1HB CYS 15 1.445 0.294 0.699
91 HB3 CYS 15 2HB CYS 15 2.605 -1.021 0.549
92 H ASN 16 H ASN 16 2.208 0.082 -3.402
93 HA ASN 16 HA ASN 16 3.517 -2.435 -4.113
94 HB2 ASN 16 1HB ASN 16 1.916 -0.974 -5.635
95 HB3 ASN 16 2HB ASN 16 3.408 -0.103 -5.976
96 HD21 ASN 16 1HD2 ASN 16 4.228 -0.735 -7.825
97 HD22 ASN 16 2HD2 ASN 16 4.299 -2.360 -8.410
98 H GLU 17 H GLU 17 4.552 -0.403 -2.151
99 HA GLU 17 HA GLU 17 7.124 0.160 -3.475
100 HB2 GLU 17 1HB GLU 17 5.847 1.616 -1.153
101 HB3 GLU 17 2HB GLU 17 7.422 1.982 -1.843
102 HG2 GLU 17 1HG GLU 17 4.840 2.119 -3.379
103 HG3 GLU 17 2HG GLU 17 5.590 3.496 -2.573
104 H CYS 18 H CYS 18 5.563 -0.911 -0.493
105 HA CYS 18 HA CYS 18 8.125 -2.118 0.326
106 HB2 CYS 18 1HB CYS 18 7.241 -1.942 2.677
107 HB3 CYS 18 2HB CYS 18 7.595 -0.399 1.905
108 H GLY 19 H GLY 19 4.603 -2.467 0.297
109 HA2 GLY 19 1HA GLY 19 3.764 -4.657 -0.457
110 HA3 GLY 19 2HA GLY 19 4.997 -5.384 0.563
111 H LYS 20 H LYS 20 3.121 -2.617 1.578
112 HA LYS 20 HA LYS 20 2.104 -4.148 3.824
113 HB2 LYS 20 1HB LYS 20 3.055 -1.676 3.765
114 HB3 LYS 20 2HB LYS 20 1.385 -1.286 3.378
115 HG2 LYS 20 1HG LYS 20 0.601 -2.042 5.432
116 HG3 LYS 20 2HG LYS 20 2.054 -2.994 5.743
117 HD2 LYS 20 1HD LYS 20 3.340 -1.050 6.184
118 HD3 LYS 20 2HD LYS 20 2.079 0.011 5.553
119 HE2 LYS 20 1HE LYS 20 1.967 0.161 7.914
120 HE3 LYS 20 2HE LYS 20 0.600 -0.832 7.411
121 HZ1 LYS 20 3HZ LYS 20 3.168 -2.017 8.281
122 HZ2 LYS 20 1HZ LYS 20 1.660 -2.771 8.143
123 HZ3 LYS 20 2HZ LYS 20 1.934 -1.646 9.376
124 H VAL 21 H VAL 21 -0.221 -3.665 4.504
125 HA VAL 21 HA VAL 21 -2.003 -3.585 2.164
126 HB VAL 21 HB VAL 21 -2.123 -5.569 4.437
127 HG11 VAL 21 1HG1 VAL 21 -4.140 -4.880 2.317
128 HG12 VAL 21 2HG1 VAL 21 -4.132 -6.438 3.145
129 HG13 VAL 21 3HG1 VAL 21 -4.365 -4.951 4.065
130 HG21 VAL 21 3HG2 VAL 21 -2.109 -7.178 2.458
131 HG22 VAL 21 1HG2 VAL 21 -1.597 -5.797 1.488
132 HG23 VAL 21 2HG2 VAL 21 -0.596 -6.352 2.830
133 H PHE 22 H PHE 22 -4.219 -3.007 2.660
134 HA PHE 22 HA PHE 22 -4.754 -1.864 5.274
135 HB2 PHE 22 1HB PHE 22 -4.827 -0.150 2.782
136 HB3 PHE 22 2HB PHE 22 -5.313 0.352 4.398
137 HD1 PHE 22 HD2 PHE 22 -2.496 -0.391 2.197
138 HD2 PHE 22 HD1 PHE 22 -3.668 0.825 6.104
139 HE1 PHE 22 HE2 PHE 22 -0.192 0.342 2.657
140 HE2 PHE 22 HE1 PHE 22 -1.367 1.561 6.569
141 HZ PHE 22 HZ PHE 22 0.375 1.319 4.845
142 H THR 23 H THR 23 -7.027 -0.876 5.286
143 HA THR 23 HA THR 23 -8.786 -2.713 3.824
144 HB THR 23 HB THR 23 -9.475 -0.980 6.203
145 HG1 THR 23 HG1 THR 23 -8.410 -2.446 7.289
146 HG21 THR 23 3HG2 THR 23 -11.487 -2.188 6.344
147 HG22 THR 23 1HG2 THR 23 -10.920 -3.431 5.231
148 HG23 THR 23 2HG2 THR 23 -11.310 -1.820 4.628
149 H GLN 24 H GLN 24 -8.417 0.718 4.639
150 HA GLN 24 HA GLN 24 -10.356 1.364 2.521
151 HB2 GLN 24 1HB GLN 24 -10.912 2.158 4.817
152 HB3 GLN 24 2HB GLN 24 -9.440 3.121 4.803
153 HG2 GLN 24 1HG GLN 24 -11.416 4.458 4.293
154 HG3 GLN 24 2HG GLN 24 -10.275 4.430 2.950
155 HE21 GLN 24 1HE2 GLN 24 -11.818 4.939 1.425
156 HE22 GLN 24 2HE2 GLN 24 -13.047 3.829 0.933
157 H ASN 25 H ASN 25 -9.800 2.714 0.871
158 HA ASN 25 HA ASN 25 -7.277 2.821 -0.124
159 HB2 ASN 25 1HB ASN 25 -9.319 3.524 -1.348
160 HB3 ASN 25 2HB ASN 25 -9.326 5.027 -0.430
161 HD21 ASN 25 1HD2 ASN 25 -8.793 4.047 -3.347
162 HD22 ASN 25 2HD2 ASN 25 -7.435 5.007 -3.815
163 H SER 26 H SER 26 -8.793 5.461 1.734
164 HA SER 26 HA SER 26 -6.731 7.243 1.851
165 HB2 SER 26 1HB SER 26 -9.105 7.306 2.941
166 HB3 SER 26 2HB SER 26 -8.278 6.661 4.359
167 HG SER 26 HG SER 26 -7.068 8.483 4.492
168 H HIS 27 H HIS 27 -7.295 4.663 4.251
169 HA HIS 27 HA HIS 27 -5.093 5.000 5.840
170 HB2 HIS 27 1HB HIS 27 -6.162 2.313 4.957
171 HB3 HIS 27 2HB HIS 27 -5.280 2.661 6.441
172 HD1 HIS 27 HD1 HIS 27 -8.054 1.366 6.564
173 HD2 HIS 27 HD2 HIS 27 -7.394 5.462 6.781
174 HE1 HIS 27 HE1 HIS 27 -10.068 2.310 7.738
175 H LEU 28 H LEU 28 -5.231 3.633 2.628
176 HA LEU 28 HA LEU 28 -2.509 2.662 2.717
177 HB2 LEU 28 1HB LEU 28 -3.808 1.334 1.356
178 HB3 LEU 28 2HB LEU 28 -4.699 2.703 0.694
179 HG LEU 28 HG LEU 28 -2.719 3.310 -0.645
180 HD11 LEU 28 1HD1 LEU 28 -1.400 0.729 -0.298
181 HD12 LEU 28 2HD1 LEU 28 -1.317 1.769 1.124
182 HD13 LEU 28 3HD1 LEU 28 -0.715 2.348 -0.429
183 HD21 LEU 28 3HD2 LEU 28 -4.068 0.667 -0.910
184 HD22 LEU 28 1HD2 LEU 28 -2.758 1.072 -2.019
185 HD23 LEU 28 2HD2 LEU 28 -4.187 2.103 -1.928
186 H ALA 29 H ALA 29 -4.177 4.991 0.586
187 HA ALA 29 HA ALA 29 -2.044 6.150 -0.638
188 HB1 ALA 29 3HB ALA 29 -3.956 8.174 0.208
189 HB2 ALA 29 1HB ALA 29 -3.547 7.606 -1.412
190 HB3 ALA 29 2HB ALA 29 -4.727 6.726 -0.440
191 H ARG 30 H ARG 30 -3.370 7.093 2.526
192 HA ARG 30 HA ARG 30 -1.632 9.205 3.060
193 HB2 ARG 30 1HB ARG 30 -2.376 9.102 5.280
194 HB3 ARG 30 2HB ARG 30 -3.718 8.448 4.351
195 HG2 ARG 30 1HG ARG 30 -3.030 6.185 4.918
196 HG3 ARG 30 2HG ARG 30 -1.652 6.822 5.818
197 HD2 ARG 30 1HD ARG 30 -4.404 7.752 6.499
198 HD3 ARG 30 2HD ARG 30 -3.868 6.166 7.053
199 HE ARG 30 HE ARG 30 -3.045 8.710 8.065
200 HH11 ARG 30 1HH1 ARG 30 -2.048 5.411 7.577
201 HH12 ARG 30 2HH1 ARG 30 -0.900 5.429 8.874
202 HH21 ARG 30 1HH2 ARG 30 -1.537 8.747 9.775
203 HH22 ARG 30 2HH2 ARG 30 -0.611 7.326 10.125
204 H HIS 31 H HIS 31 -1.249 5.738 3.584
205 HA HIS 31 HA HIS 31 1.144 5.874 5.077
206 HB2 HIS 31 1HB HIS 31 0.130 3.803 5.242
207 HB3 HIS 31 2HB HIS 31 -0.268 3.743 3.528
208 HD1 HIS 31 HD1 HIS 31 2.672 3.288 5.858
209 HD2 HIS 31 HD2 HIS 31 1.537 2.399 1.962
210 HE1 HIS 31 HE1 HIS 31 4.467 1.770 4.965
211 H ARG 32 H ARG 32 0.536 5.431 1.606
212 HA ARG 32 HA ARG 32 3.073 5.001 0.674
213 HB2 ARG 32 1HB ARG 32 0.787 6.567 -0.502
214 HB3 ARG 32 2HB ARG 32 2.297 6.347 -1.375
215 HG2 ARG 32 1HG ARG 32 1.996 4.026 -1.532
216 HG3 ARG 32 2HG ARG 32 0.731 4.026 -0.301
217 HD2 ARG 32 1HD ARG 32 -0.518 3.848 -2.223
218 HD3 ARG 32 2HD ARG 32 -0.500 5.595 -1.988
219 HE ARG 32 HE ARG 32 0.669 5.795 -3.936
220 HH11 ARG 32 1HH1 ARG 32 0.951 2.518 -2.794
221 HH12 ARG 32 2HH1 ARG 32 1.780 1.959 -4.208
222 HH21 ARG 32 1HH2 ARG 32 1.761 5.070 -5.803
223 HH22 ARG 32 2HH2 ARG 32 2.242 3.411 -5.919
224 H GLY 33 H GLY 33 1.854 7.833 2.182
225 HA2 GLY 33 1HA GLY 33 3.482 9.824 1.089
226 HA3 GLY 33 2HA GLY 33 2.835 9.835 2.723
227 H ILE 34 H ILE 34 4.175 7.446 3.594
228 HA ILE 34 HA ILE 34 6.563 8.549 4.556
229 HB ILE 34 HB ILE 34 7.027 6.460 5.548
230 HG12 ILE 34 1HG1 ILE 34 5.178 5.223 3.497
231 HG13 ILE 34 2HG1 ILE 34 6.932 5.077 3.532
232 HG21 ILE 34 1HG2 ILE 34 4.129 6.011 5.500
233 HG22 ILE 34 2HG2 ILE 34 5.207 6.336 6.857
234 HG23 ILE 34 3HG2 ILE 34 4.615 7.667 5.863
235 HD11 ILE 34 3HD1 ILE 34 6.171 3.074 4.423
236 HD12 ILE 34 1HD1 ILE 34 6.602 4.028 5.842
237 HD13 ILE 34 2HD1 ILE 34 4.910 3.863 5.370
238 H HIS 35 H HIS 35 5.855 6.822 1.637
239 HA HIS 35 HA HIS 35 8.665 6.322 1.062
240 HB2 HIS 35 1HB HIS 35 6.210 5.766 -0.617
241 HB3 HIS 35 2HB HIS 35 7.845 5.210 -0.962
242 HD1 HIS 35 HD1 HIS 35 8.851 3.743 1.247
243 HD2 HIS 35 HD2 HIS 35 4.753 3.841 0.573
244 HE1 HIS 35 HE1 HIS 35 7.922 1.750 2.466
245 H THR 36 H THR 36 6.076 8.479 0.129
246 HA THR 36 HA THR 36 7.713 9.698 -1.958
247 HB THR 36 HB THR 36 5.728 11.085 -2.434
248 HG1 THR 36 HG1 THR 36 4.029 11.073 -1.133
249 HG21 THR 36 3HG2 THR 36 5.765 9.144 -3.726
250 HG22 THR 36 1HG2 THR 36 4.164 9.102 -2.989
251 HG23 THR 36 2HG2 THR 36 5.461 8.099 -2.339
252 H GLY 37 H GLY 37 8.881 10.024 0.489
253 HA2 GLY 37 1HA GLY 37 8.768 12.922 0.767
254 HA3 GLY 37 2HA GLY 37 8.382 11.994 2.209
255 H GLU 38 H GLU 38 10.097 10.119 2.534
256 HA GLU 38 HA GLU 38 12.464 11.296 3.342
257 HB2 GLU 38 1HB GLU 38 11.620 9.090 4.114
258 HB3 GLU 38 2HB GLU 38 12.087 8.399 2.566
259 HG2 GLU 38 1HG GLU 38 14.433 9.087 3.050
260 HG3 GLU 38 2HG GLU 38 13.902 9.561 4.662
261 H LYS 39 H LYS 39 14.664 10.964 2.576
262 HA LYS 39 HA LYS 39 14.888 11.560 -0.220
263 HB2 LYS 39 1HB LYS 39 16.319 12.590 1.557
264 HB3 LYS 39 2HB LYS 39 17.101 11.029 1.769
265 HG2 LYS 39 1HG LYS 39 18.555 12.179 0.382
266 HG3 LYS 39 2HG LYS 39 17.627 11.182 -0.741
267 HD2 LYS 39 1HD LYS 39 17.669 13.287 -1.755
268 HD3 LYS 39 2HD LYS 39 16.088 13.223 -0.972
269 HE2 LYS 39 1HE LYS 39 16.962 15.353 -0.470
270 HE3 LYS 39 2HE LYS 39 17.172 14.396 0.995
271 HZ1 LYS 39 3HZ LYS 39 19.160 15.556 -0.746
272 HZ2 LYS 39 1HZ LYS 39 19.483 13.956 -0.300
273 HZ3 LYS 39 2HZ LYS 39 19.264 15.137 0.890
274 HA PRO 40 HA PRO 40 15.440 7.435 -1.693
275 HB2 PRO 40 1HB PRO 40 16.544 8.038 -4.099
276 HB3 PRO 40 2HB PRO 40 14.825 8.257 -3.748
277 HG2 PRO 40 1HG PRO 40 17.032 10.280 -3.745
278 HG3 PRO 40 2HG PRO 40 15.387 10.420 -4.391
279 HD2 PRO 40 1HD PRO 40 16.106 11.467 -2.000
280 HD3 PRO 40 2HD PRO 40 14.474 10.847 -2.319
281 H SER 41 H SER 41 17.124 5.954 -2.343
282 HA SER 41 HA SER 41 19.632 6.536 -1.032
283 HB2 SER 41 1HB SER 41 18.581 4.341 -0.728
284 HB3 SER 41 2HB SER 41 18.689 4.038 -2.462
285 HG SER 41 HG SER 41 21.093 4.590 -1.889
286 H GLY 42 H GLY 42 18.513 5.835 -4.319
287 HA2 GLY 42 1HA GLY 42 21.203 6.187 -5.381
288 HA3 GLY 42 2HA GLY 42 19.773 5.731 -6.294
289 HA PRO 43 HA PRO 43 20.893 10.308 -6.832
290 HB2 PRO 43 1HB PRO 43 21.754 10.169 -9.403
291 HB3 PRO 43 2HB PRO 43 22.834 9.977 -8.016
292 HG2 PRO 43 1HG PRO 43 21.577 7.879 -9.743
293 HG3 PRO 43 2HG PRO 43 23.237 7.973 -9.124
294 HD2 PRO 43 1HD PRO 43 21.345 6.402 -7.989
295 HD3 PRO 43 2HD PRO 43 22.642 7.167 -7.048
296 H SER 44 H SER 44 18.643 10.646 -6.756
297 HA SER 44 HA SER 44 17.430 11.141 -9.305
298 HB2 SER 44 1HB SER 44 16.315 8.956 -7.536
299 HB3 SER 44 2HB SER 44 15.402 9.722 -8.836
300 HG SER 44 HG SER 44 17.034 7.693 -9.045
301 H SER 45 H SER 45 16.167 12.879 -9.139
302 HA SER 45 HA SER 45 14.542 13.405 -6.837
303 HB2 SER 45 1HB SER 45 16.988 15.109 -7.344
304 HB3 SER 45 2HB SER 45 15.641 15.613 -6.324
305 HG SER 45 HG SER 45 16.104 13.447 -5.257
306 H GLY 46 H GLY 46 13.314 15.454 -7.072
307 HA2 GLY 46 1HA GLY 46 12.797 15.944 -9.924
308 HA3 GLY 46 2HA GLY 46 11.663 16.233 -8.613
Start of MODEL 16
1 H1 GLY 1 H GLY 1 15.607 -13.606 19.096
2 HA2 GLY 1 1HA GLY 1 14.652 -15.686 17.576
3 HA3 GLY 1 2HA GLY 1 14.510 -16.246 19.236
4 H SER 2 H SER 2 12.609 -15.280 16.978
5 HA SER 2 HA SER 2 10.608 -14.260 18.707
6 HB2 SER 2 1HB SER 2 11.816 -12.171 18.551
7 HB3 SER 2 2HB SER 2 11.891 -12.297 16.794
8 HG SER 2 HG SER 2 9.637 -12.069 16.737
9 H SER 3 H SER 3 8.699 -14.848 17.903
10 HA SER 3 HA SER 3 8.135 -14.766 15.081
11 HB2 SER 3 1HB SER 3 8.416 -17.408 16.520
12 HB3 SER 3 2HB SER 3 7.508 -17.227 15.019
13 HG SER 3 HG SER 3 10.079 -17.619 15.263
14 H GLY 4 H GLY 4 5.878 -15.936 14.737
15 HA2 GLY 4 1HA GLY 4 4.040 -16.250 16.783
16 HA3 GLY 4 2HA GLY 4 4.037 -14.536 16.394
17 H SER 5 H SER 5 1.976 -14.476 15.561
18 HA SER 5 HA SER 5 1.708 -15.511 12.861
19 HB2 SER 5 1HB SER 5 0.741 -17.367 13.966
20 HB3 SER 5 2HB SER 5 -0.092 -16.342 15.134
21 HG SER 5 HG SER 5 -1.612 -16.939 13.662
22 H SER 6 H SER 6 1.263 -13.707 11.786
23 HA SER 6 HA SER 6 -0.232 -11.555 13.016
24 HB2 SER 6 1HB SER 6 0.877 -11.772 10.206
25 HB3 SER 6 2HB SER 6 0.276 -10.305 10.979
26 HG SER 6 HG SER 6 2.465 -10.280 11.224
27 H GLY 7 H GLY 7 -0.611 -13.680 10.184
28 HA2 GLY 7 1HA GLY 7 -2.472 -14.290 8.987
29 HA3 GLY 7 2HA GLY 7 -3.345 -14.099 10.500
30 H THR 8 H THR 8 -2.064 -12.249 7.755
31 HA THR 8 HA THR 8 -4.012 -10.134 8.258
32 HB THR 8 HB THR 8 -1.732 -9.429 7.739
33 HG1 THR 8 HG1 THR 8 -3.717 -8.300 6.889
34 HG21 THR 8 3HG2 THR 8 -1.143 -11.382 6.320
35 HG22 THR 8 1HG2 THR 8 -0.716 -9.837 5.586
36 HG23 THR 8 2HG2 THR 8 -2.147 -10.710 5.036
37 H GLY 9 H GLY 9 -5.777 -9.761 7.029
38 HA2 GLY 9 1HA GLY 9 -6.792 -11.802 5.367
39 HA3 GLY 9 2HA GLY 9 -7.463 -10.186 5.530
40 H GLU 10 H GLU 10 -7.876 -10.797 3.165
41 HA GLU 10 HA GLU 10 -5.561 -9.975 1.538
42 HB2 GLU 10 1HB GLU 10 -7.923 -11.694 0.763
43 HB3 GLU 10 2HB GLU 10 -6.672 -11.153 -0.347
44 HG2 GLU 10 1HG GLU 10 -5.919 -12.673 2.106
45 HG3 GLU 10 2HG GLU 10 -6.555 -13.525 0.700
46 H LYS 11 H LYS 11 -5.780 -7.844 1.216
47 HA LYS 11 HA LYS 11 -8.382 -6.873 0.226
48 HB2 LYS 11 1HB LYS 11 -6.493 -5.727 2.217
49 HB3 LYS 11 2HB LYS 11 -7.305 -4.601 1.137
50 HG2 LYS 11 1HG LYS 11 -8.740 -4.651 2.927
51 HG3 LYS 11 2HG LYS 11 -9.455 -5.870 1.868
52 HD2 LYS 11 1HD LYS 11 -9.414 -6.786 4.065
53 HD3 LYS 11 2HD LYS 11 -8.146 -7.597 3.142
54 HE2 LYS 11 1HE LYS 11 -6.457 -6.214 4.156
55 HE3 LYS 11 2HE LYS 11 -7.684 -5.243 4.969
56 HZ1 LYS 11 3HZ LYS 11 -7.701 -8.115 5.484
57 HZ2 LYS 11 1HZ LYS 11 -8.038 -6.826 6.527
58 HZ3 LYS 11 2HZ LYS 11 -6.435 -7.223 6.164
59 HA PRO 12 HA PRO 12 -6.254 -5.714 -3.453
60 HB2 PRO 12 1HB PRO 12 -8.000 -3.851 -4.375
61 HB3 PRO 12 2HB PRO 12 -8.330 -5.587 -4.430
62 HG2 PRO 12 1HG PRO 12 -9.276 -3.541 -2.460
63 HG3 PRO 12 2HG PRO 12 -10.181 -4.862 -3.224
64 HD2 PRO 12 1HD PRO 12 -9.212 -5.028 -0.701
65 HD3 PRO 12 2HD PRO 12 -9.351 -6.442 -1.766
66 H TYR 13 H TYR 13 -6.451 -3.833 -0.741
67 HA TYR 13 HA TYR 13 -5.222 -1.480 -1.988
68 HB2 TYR 13 1HB TYR 13 -6.299 -1.899 0.807
69 HB3 TYR 13 2HB TYR 13 -5.565 -0.407 0.230
70 HD1 TYR 13 HD2 TYR 13 -8.207 -2.784 -0.951
71 HD2 TYR 13 HD1 TYR 13 -7.055 1.260 -0.302
72 HE1 TYR 13 HE2 TYR 13 -10.398 -2.033 -1.779
73 HE2 TYR 13 HE1 TYR 13 -9.243 2.022 -1.127
74 HH TYR 13 HH TYR 13 -11.862 0.199 -1.345
75 H LYS 14 H LYS 14 -3.388 -3.165 -2.299
76 HA LYS 14 HA LYS 14 -1.668 -3.224 0.086
77 HB2 LYS 14 1HB LYS 14 -1.900 -5.426 -0.686
78 HB3 LYS 14 2HB LYS 14 -1.813 -4.942 -2.374
79 HG2 LYS 14 1HG LYS 14 0.518 -4.608 -2.262
80 HG3 LYS 14 2HG LYS 14 0.518 -4.685 -0.498
81 HD2 LYS 14 1HD LYS 14 0.166 -7.000 -0.486
82 HD3 LYS 14 2HD LYS 14 -0.379 -7.015 -2.165
83 HE2 LYS 14 1HE LYS 14 1.915 -6.385 -2.862
84 HE3 LYS 14 2HE LYS 14 2.427 -6.507 -1.180
85 HZ1 LYS 14 3HZ LYS 14 1.140 -8.775 -2.571
86 HZ2 LYS 14 1HZ LYS 14 2.086 -8.798 -1.168
87 HZ3 LYS 14 2HZ LYS 14 2.808 -8.510 -2.670
88 H CYS 15 H CYS 15 0.256 -2.197 0.113
89 HA CYS 15 HA CYS 15 0.792 -0.258 -1.926
90 HB2 CYS 15 1HB CYS 15 1.254 0.335 0.360
91 HB3 CYS 15 2HB CYS 15 2.308 -1.061 0.561
92 H ASN 16 H ASN 16 2.738 -0.073 -3.154
93 HA ASN 16 HA ASN 16 3.856 -2.692 -3.877
94 HB2 ASN 16 1HB ASN 16 3.350 -0.167 -5.393
95 HB3 ASN 16 2HB ASN 16 4.669 -1.211 -5.915
96 HD21 ASN 16 1HD2 ASN 16 4.208 -2.888 -7.168
97 HD22 ASN 16 2HD2 ASN 16 2.620 -3.480 -7.504
98 H GLU 17 H GLU 17 4.677 0.508 -2.765
99 HA GLU 17 HA GLU 17 7.424 0.521 -3.262
100 HB2 GLU 17 1HB GLU 17 5.690 1.845 -1.204
101 HB3 GLU 17 2HB GLU 17 7.439 2.005 -1.117
102 HG2 GLU 17 1HG GLU 17 6.762 3.889 -2.288
103 HG3 GLU 17 2HG GLU 17 7.305 2.783 -3.548
104 H CYS 18 H CYS 18 5.688 -0.504 -0.325
105 HA CYS 18 HA CYS 18 8.116 -1.944 0.511
106 HB2 CYS 18 1HB CYS 18 7.170 -1.878 2.791
107 HB3 CYS 18 2HB CYS 18 7.392 -0.264 2.122
108 H GLY 19 H GLY 19 4.572 -2.214 0.381
109 HA2 GLY 19 1HA GLY 19 3.707 -4.294 -0.636
110 HA3 GLY 19 2HA GLY 19 4.916 -5.149 0.311
111 H LYS 20 H LYS 20 3.117 -2.475 1.638
112 HA LYS 20 HA LYS 20 2.091 -4.173 3.731
113 HB2 LYS 20 1HB LYS 20 2.923 -1.658 3.806
114 HB3 LYS 20 2HB LYS 20 1.236 -1.328 3.430
115 HG2 LYS 20 1HG LYS 20 0.482 -2.220 5.437
116 HG3 LYS 20 2HG LYS 20 1.973 -3.127 5.705
117 HD2 LYS 20 1HD LYS 20 3.153 -1.225 6.363
118 HD3 LYS 20 2HD LYS 20 1.986 -0.129 5.619
119 HE2 LYS 20 1HE LYS 20 1.375 0.107 7.802
120 HE3 LYS 20 2HE LYS 20 0.358 -1.267 7.369
121 HZ1 LYS 20 3HZ LYS 20 1.957 -1.254 9.480
122 HZ2 LYS 20 1HZ LYS 20 3.027 -1.895 8.337
123 HZ3 LYS 20 2HZ LYS 20 1.555 -2.668 8.643
124 H VAL 21 H VAL 21 -0.270 -3.768 4.424
125 HA VAL 21 HA VAL 21 -2.039 -3.671 2.078
126 HB VAL 21 HB VAL 21 -2.164 -5.754 4.263
127 HG11 VAL 21 1HG1 VAL 21 -4.036 -6.686 2.943
128 HG12 VAL 21 2HG1 VAL 21 -4.393 -5.093 3.614
129 HG13 VAL 21 3HG1 VAL 21 -3.981 -5.261 1.907
130 HG21 VAL 21 3HG2 VAL 21 -0.403 -6.110 2.550
131 HG22 VAL 21 1HG2 VAL 21 -1.651 -7.356 2.540
132 HG23 VAL 21 2HG2 VAL 21 -1.655 -6.094 1.309
133 H PHE 22 H PHE 22 -4.171 -2.994 2.487
134 HA PHE 22 HA PHE 22 -4.853 -2.141 5.187
135 HB2 PHE 22 1HB PHE 22 -4.962 -0.174 2.898
136 HB3 PHE 22 2HB PHE 22 -5.273 0.144 4.601
137 HD1 PHE 22 HD2 PHE 22 -2.650 -0.651 2.136
138 HD2 PHE 22 HD1 PHE 22 -3.514 0.629 6.102
139 HE1 PHE 22 HE2 PHE 22 -0.290 -0.029 2.445
140 HE2 PHE 22 HE1 PHE 22 -1.155 1.253 6.418
141 HZ PHE 22 HZ PHE 22 0.461 0.924 4.588
142 H THR 23 H THR 23 -7.127 -1.026 5.080
143 HA THR 23 HA THR 23 -8.804 -2.686 3.315
144 HB THR 23 HB THR 23 -9.526 -1.521 6.012
145 HG1 THR 23 HG1 THR 23 -9.627 -4.007 6.316
146 HG21 THR 23 3HG2 THR 23 -11.554 -1.689 4.897
147 HG22 THR 23 1HG2 THR 23 -11.432 -3.262 5.684
148 HG23 THR 23 2HG2 THR 23 -11.045 -3.100 3.971
149 H GLN 24 H GLN 24 -8.163 0.533 4.484
150 HA GLN 24 HA GLN 24 -10.365 1.582 2.842
151 HB2 GLN 24 1HB GLN 24 -8.803 3.240 4.791
152 HB3 GLN 24 2HB GLN 24 -10.446 3.471 4.209
153 HG2 GLN 24 1HG GLN 24 -9.630 1.183 5.977
154 HG3 GLN 24 2HG GLN 24 -10.225 2.724 6.591
155 HE21 GLN 24 1HE2 GLN 24 -11.737 0.943 7.476
156 HE22 GLN 24 2HE2 GLN 24 -13.181 0.685 6.562
157 H ASN 25 H ASN 25 -9.985 3.350 1.437
158 HA ASN 25 HA ASN 25 -7.555 3.177 -0.010
159 HB2 ASN 25 1HB ASN 25 -9.920 3.886 -0.819
160 HB3 ASN 25 2HB ASN 25 -9.458 5.491 -0.258
161 HD21 ASN 25 1HD2 ASN 25 -9.248 3.220 -2.752
162 HD22 ASN 25 2HD2 ASN 25 -8.134 4.070 -3.763
163 H SER 26 H SER 26 -8.842 5.536 2.286
164 HA SER 26 HA SER 26 -6.817 7.464 2.011
165 HB2 SER 26 1HB SER 26 -8.594 6.803 4.369
166 HB3 SER 26 2HB SER 26 -7.556 8.225 4.284
167 HG SER 26 HG SER 26 -9.546 8.853 3.566
168 H HIS 27 H HIS 27 -7.192 4.868 4.422
169 HA HIS 27 HA HIS 27 -4.867 5.286 5.860
170 HB2 HIS 27 1HB HIS 27 -6.091 2.600 5.198
171 HB3 HIS 27 2HB HIS 27 -5.032 2.959 6.559
172 HD1 HIS 27 HD1 HIS 27 -7.277 1.874 7.772
173 HD2 HIS 27 HD2 HIS 27 -7.537 5.753 6.306
174 HE1 HIS 27 HE1 HIS 27 -9.245 2.907 8.948
175 H LEU 28 H LEU 28 -5.330 3.536 2.833
176 HA LEU 28 HA LEU 28 -2.669 2.524 2.696
177 HB2 LEU 28 1HB LEU 28 -4.055 1.282 1.382
178 HB3 LEU 28 2HB LEU 28 -5.010 2.676 0.883
179 HG LEU 28 HG LEU 28 -3.113 3.337 -0.611
180 HD11 LEU 28 1HD1 LEU 28 -1.955 0.926 0.628
181 HD12 LEU 28 2HD1 LEU 28 -1.167 2.362 -0.026
182 HD13 LEU 28 3HD1 LEU 28 -1.726 1.091 -1.114
183 HD21 LEU 28 3HD2 LEU 28 -4.994 1.173 -0.909
184 HD22 LEU 28 1HD2 LEU 28 -3.555 0.899 -1.892
185 HD23 LEU 28 2HD2 LEU 28 -4.482 2.388 -2.082
186 H ALA 29 H ALA 29 -4.327 5.157 0.955
187 HA ALA 29 HA ALA 29 -2.147 6.107 -0.481
188 HB1 ALA 29 3HB ALA 29 -3.428 7.962 -0.986
189 HB2 ALA 29 1HB ALA 29 -4.656 6.768 -0.565
190 HB3 ALA 29 2HB ALA 29 -4.187 8.002 0.605
191 H ARG 30 H ARG 30 -3.394 7.365 2.620
192 HA ARG 30 HA ARG 30 -1.456 9.263 3.111
193 HB2 ARG 30 1HB ARG 30 -2.167 9.270 5.349
194 HB3 ARG 30 2HB ARG 30 -3.576 8.729 4.447
195 HG2 ARG 30 1HG ARG 30 -3.315 6.509 5.156
196 HG3 ARG 30 2HG ARG 30 -1.664 6.795 5.710
197 HD2 ARG 30 1HD ARG 30 -2.468 8.190 7.510
198 HD3 ARG 30 2HD ARG 30 -4.122 8.058 6.915
199 HE ARG 30 HE ARG 30 -4.276 5.974 7.872
200 HH11 ARG 30 1HH1 ARG 30 -0.959 7.030 7.882
201 HH12 ARG 30 2HH1 ARG 30 -0.417 5.746 8.912
202 HH21 ARG 30 1HH2 ARG 30 -3.575 4.279 9.228
203 HH22 ARG 30 2HH2 ARG 30 -1.905 4.181 9.676
204 H HIS 31 H HIS 31 -1.309 5.789 3.570
205 HA HIS 31 HA HIS 31 1.055 5.715 5.117
206 HB2 HIS 31 1HB HIS 31 -0.030 3.694 5.205
207 HB3 HIS 31 2HB HIS 31 -0.506 3.752 3.511
208 HD1 HIS 31 HD1 HIS 31 2.637 3.187 5.572
209 HD2 HIS 31 HD2 HIS 31 0.988 2.164 1.898
210 HE1 HIS 31 HE1 HIS 31 4.246 1.549 4.546
211 H ARG 32 H ARG 32 0.510 5.335 1.621
212 HA ARG 32 HA ARG 32 3.113 4.876 0.814
213 HB2 ARG 32 1HB ARG 32 0.792 6.240 -0.519
214 HB3 ARG 32 2HB ARG 32 2.350 6.126 -1.327
215 HG2 ARG 32 1HG ARG 32 2.264 3.689 -1.149
216 HG3 ARG 32 2HG ARG 32 0.696 3.809 -0.347
217 HD2 ARG 32 1HD ARG 32 0.390 3.290 -2.691
218 HD3 ARG 32 2HD ARG 32 -0.220 4.908 -2.347
219 HE ARG 32 HE ARG 32 2.060 4.213 -3.994
220 HH11 ARG 32 1HH1 ARG 32 0.326 6.709 -2.296
221 HH12 ARG 32 2HH1 ARG 32 1.017 8.000 -3.222
222 HH21 ARG 32 1HH2 ARG 32 2.977 5.904 -5.220
223 HH22 ARG 32 2HH2 ARG 32 2.524 7.541 -4.885
224 H GLY 33 H GLY 33 1.717 7.757 2.073
225 HA2 GLY 33 1HA GLY 33 3.314 9.739 0.942
226 HA3 GLY 33 2HA GLY 33 2.615 9.813 2.553
227 H ILE 34 H ILE 34 4.208 7.224 3.090
228 HA ILE 34 HA ILE 34 6.470 8.560 4.246
229 HB ILE 34 HB ILE 34 7.022 6.485 5.267
230 HG12 ILE 34 1HG1 ILE 34 5.053 5.151 3.397
231 HG13 ILE 34 2HG1 ILE 34 6.803 5.098 3.215
232 HG21 ILE 34 1HG2 ILE 34 4.291 7.451 5.270
233 HG22 ILE 34 2HG2 ILE 34 4.391 5.746 5.709
234 HG23 ILE 34 3HG2 ILE 34 5.311 6.945 6.617
235 HD11 ILE 34 3HD1 ILE 34 6.851 4.067 5.534
236 HD12 ILE 34 1HD1 ILE 34 5.111 3.852 5.350
237 HD13 ILE 34 2HD1 ILE 34 6.220 3.072 4.222
238 H HIS 35 H HIS 35 5.865 6.636 1.410
239 HA HIS 35 HA HIS 35 8.685 6.225 0.868
240 HB2 HIS 35 1HB HIS 35 6.350 5.635 -0.954
241 HB3 HIS 35 2HB HIS 35 7.975 4.963 -1.045
242 HD1 HIS 35 HD1 HIS 35 8.575 3.685 1.453
243 HD2 HIS 35 HD2 HIS 35 4.655 3.824 0.085
244 HE1 HIS 35 HE1 HIS 35 7.377 1.830 2.657
245 H THR 36 H THR 36 5.996 8.130 -0.416
246 HA THR 36 HA THR 36 7.610 9.354 -2.460
247 HB THR 36 HB THR 36 5.510 10.951 -2.494
248 HG1 THR 36 HG1 THR 36 4.823 9.750 -0.438
249 HG21 THR 36 3HG2 THR 36 4.494 8.441 -3.427
250 HG22 THR 36 1HG2 THR 36 6.218 8.542 -3.781
251 HG23 THR 36 2HG2 THR 36 5.124 9.798 -4.360
252 H GLY 37 H GLY 37 7.162 9.859 0.855
253 HA2 GLY 37 1HA GLY 37 7.670 12.724 0.759
254 HA3 GLY 37 2HA GLY 37 7.416 11.757 2.204
255 H GLU 38 H GLU 38 9.411 13.659 2.097
256 HA GLU 38 HA GLU 38 11.903 12.233 1.578
257 HB2 GLU 38 1HB GLU 38 11.502 14.661 0.911
258 HB3 GLU 38 2HB GLU 38 11.612 15.046 2.622
259 HG2 GLU 38 1HG GLU 38 13.869 14.319 2.727
260 HG3 GLU 38 2HG GLU 38 13.782 13.620 1.111
261 H LYS 39 H LYS 39 10.044 11.545 3.800
262 HA LYS 39 HA LYS 39 11.069 12.394 6.272
263 HB2 LYS 39 1HB LYS 39 9.350 10.179 5.319
264 HB3 LYS 39 2HB LYS 39 10.140 9.928 6.870
265 HG2 LYS 39 1HG LYS 39 8.755 12.513 6.441
266 HG3 LYS 39 2HG LYS 39 7.761 11.070 6.657
267 HD2 LYS 39 1HD LYS 39 7.999 11.748 8.837
268 HD3 LYS 39 2HD LYS 39 9.376 10.654 8.688
269 HE2 LYS 39 1HE LYS 39 9.790 13.509 7.985
270 HE3 LYS 39 2HE LYS 39 9.609 13.104 9.691
271 HZ1 LYS 39 3HZ LYS 39 11.747 12.569 9.660
272 HZ2 LYS 39 1HZ LYS 39 11.841 12.702 7.976
273 HZ3 LYS 39 2HZ LYS 39 11.361 11.243 8.683
274 HA PRO 40 HA PRO 40 13.772 8.394 6.290
275 HB2 PRO 40 1HB PRO 40 13.920 6.972 3.982
276 HB3 PRO 40 2HB PRO 40 12.689 6.676 5.216
277 HG2 PRO 40 1HG PRO 40 12.479 8.228 2.665
278 HG3 PRO 40 2HG PRO 40 11.328 7.080 3.375
279 HD2 PRO 40 1HD PRO 40 11.022 9.763 3.576
280 HD3 PRO 40 2HD PRO 40 10.483 8.643 4.844
281 H SER 41 H SER 41 15.941 7.879 5.446
282 HA SER 41 HA SER 41 17.030 10.174 3.989
283 HB2 SER 41 1HB SER 41 18.120 9.812 6.087
284 HB3 SER 41 2HB SER 41 18.315 8.090 5.761
285 HG SER 41 HG SER 41 19.701 8.717 3.999
286 H GLY 42 H GLY 42 17.497 6.635 4.109
287 HA2 GLY 42 1HA GLY 42 17.398 6.390 1.267
288 HA3 GLY 42 2HA GLY 42 19.054 6.327 1.853
289 HA PRO 43 HA PRO 43 18.486 1.995 2.379
290 HB2 PRO 43 1HB PRO 43 20.589 1.510 4.027
291 HB3 PRO 43 2HB PRO 43 20.778 1.843 2.301
292 HG2 PRO 43 1HG PRO 43 21.111 3.689 4.634
293 HG3 PRO 43 2HG PRO 43 22.122 3.520 3.188
294 HD2 PRO 43 1HD PRO 43 20.301 5.505 3.469
295 HD3 PRO 43 2HD PRO 43 20.702 4.793 1.893
296 H SER 44 H SER 44 16.906 1.159 3.580
297 HA SER 44 HA SER 44 17.073 1.387 6.496
298 HB2 SER 44 1HB SER 44 15.391 3.039 5.282
299 HB3 SER 44 2HB SER 44 14.367 1.604 5.247
300 HG SER 44 HG SER 44 14.929 1.489 7.596
301 H SER 45 H SER 45 16.187 -0.340 7.636
302 HA SER 45 HA SER 45 16.486 -2.859 6.811
303 HB2 SER 45 1HB SER 45 14.491 -1.685 8.715
304 HB3 SER 45 2HB SER 45 14.435 -3.411 8.360
305 HG SER 45 HG SER 45 15.887 -3.462 9.898
306 H GLY 46 H GLY 46 13.485 -1.009 6.351
307 HA2 GLY 46 1HA GLY 46 12.662 -1.527 3.939
308 HA3 GLY 46 2HA GLY 46 12.477 -3.144 4.603
Start of MODEL 17
1 H1 GLY 1 H GLY 1 12.255 -20.375 10.086
2 HA2 GLY 1 1HA GLY 1 9.708 -20.150 9.628
3 HA3 GLY 1 2HA GLY 1 9.594 -20.738 11.280
4 H SER 2 H SER 2 12.028 -18.520 10.017
5 HA SER 2 HA SER 2 11.365 -16.623 12.104
6 HB2 SER 2 1HB SER 2 13.383 -15.465 11.453
7 HB3 SER 2 2HB SER 2 13.732 -17.193 11.509
8 HG SER 2 HG SER 2 12.987 -16.839 9.087
9 H SER 3 H SER 3 10.952 -16.976 8.667
10 HA SER 3 HA SER 3 10.082 -14.214 8.352
11 HB2 SER 3 1HB SER 3 10.583 -16.487 6.449
12 HB3 SER 3 2HB SER 3 9.672 -15.069 5.932
13 HG SER 3 HG SER 3 11.534 -13.832 6.721
14 H GLY 4 H GLY 4 8.079 -13.738 8.970
15 HA2 GLY 4 1HA GLY 4 5.970 -15.763 8.573
16 HA3 GLY 4 2HA GLY 4 5.917 -14.479 9.772
17 H SER 5 H SER 5 6.432 -14.655 6.246
18 HA SER 5 HA SER 5 4.624 -12.362 5.954
19 HB2 SER 5 1HB SER 5 5.639 -12.004 3.787
20 HB3 SER 5 2HB SER 5 6.923 -12.210 4.978
21 HG SER 5 HG SER 5 6.279 -13.751 2.810
22 H SER 6 H SER 6 3.461 -14.850 6.503
23 HA SER 6 HA SER 6 2.691 -16.419 4.371
24 HB2 SER 6 1HB SER 6 2.099 -17.041 6.627
25 HB3 SER 6 2HB SER 6 1.098 -15.601 6.811
26 HG SER 6 HG SER 6 -0.191 -16.476 5.052
27 H GLY 7 H GLY 7 0.910 -13.602 5.654
28 HA2 GLY 7 1HA GLY 7 -0.199 -11.956 4.422
29 HA3 GLY 7 2HA GLY 7 0.103 -12.882 2.959
30 H THR 8 H THR 8 -1.804 -12.997 5.959
31 HA THR 8 HA THR 8 -3.744 -14.781 4.807
32 HB THR 8 HB THR 8 -3.353 -14.950 7.177
33 HG1 THR 8 HG1 THR 8 -5.415 -15.429 7.162
34 HG21 THR 8 3HG2 THR 8 -3.029 -13.193 8.512
35 HG22 THR 8 1HG2 THR 8 -4.593 -12.504 8.077
36 HG23 THR 8 2HG2 THR 8 -3.172 -12.161 7.089
37 H GLY 9 H GLY 9 -5.641 -14.295 3.856
38 HA2 GLY 9 1HA GLY 9 -7.227 -13.028 2.780
39 HA3 GLY 9 2HA GLY 9 -7.235 -12.072 4.255
40 H GLU 10 H GLU 10 -6.101 -12.302 0.986
41 HA GLU 10 HA GLU 10 -4.441 -9.957 1.119
42 HB2 GLU 10 1HB GLU 10 -5.503 -11.514 -1.245
43 HB3 GLU 10 2HB GLU 10 -4.342 -10.199 -1.355
44 HG2 GLU 10 1HG GLU 10 -3.957 -12.871 -0.036
45 HG3 GLU 10 2HG GLU 10 -3.151 -12.253 -1.476
46 H LYS 11 H LYS 11 -4.840 -7.974 0.004
47 HA LYS 11 HA LYS 11 -7.650 -7.409 -0.621
48 HB2 LYS 11 1HB LYS 11 -5.900 -5.812 1.254
49 HB3 LYS 11 2HB LYS 11 -7.417 -5.219 0.592
50 HG2 LYS 11 1HG LYS 11 -7.193 -7.738 2.218
51 HG3 LYS 11 2HG LYS 11 -7.548 -6.153 2.909
52 HD2 LYS 11 1HD LYS 11 -9.190 -7.201 0.638
53 HD3 LYS 11 2HD LYS 11 -9.501 -7.757 2.284
54 HE2 LYS 11 1HE LYS 11 -9.323 -4.835 1.623
55 HE3 LYS 11 2HE LYS 11 -10.824 -5.734 1.409
56 HZ1 LYS 11 3HZ LYS 11 -11.152 -5.126 3.532
57 HZ2 LYS 11 1HZ LYS 11 -9.508 -4.884 3.848
58 HZ3 LYS 11 2HZ LYS 11 -10.156 -6.446 3.887
59 HA PRO 12 HA PRO 12 -5.991 -5.329 -4.120
60 HB2 PRO 12 1HB PRO 12 -8.001 -3.574 -4.620
61 HB3 PRO 12 2HB PRO 12 -8.134 -5.306 -4.948
62 HG2 PRO 12 1HG PRO 12 -9.158 -3.736 -2.614
63 HG3 PRO 12 2HG PRO 12 -9.961 -5.019 -3.539
64 HD2 PRO 12 1HD PRO 12 -8.796 -5.466 -1.136
65 HD3 PRO 12 2HD PRO 12 -8.852 -6.697 -2.414
66 H TYR 13 H TYR 13 -6.226 -3.934 -1.123
67 HA TYR 13 HA TYR 13 -5.186 -1.345 -2.067
68 HB2 TYR 13 1HB TYR 13 -6.653 -2.126 0.444
69 HB3 TYR 13 2HB TYR 13 -5.727 -0.632 0.346
70 HD1 TYR 13 HD2 TYR 13 -7.862 -2.257 -2.239
71 HD2 TYR 13 HD1 TYR 13 -7.328 1.061 0.370
72 HE1 TYR 13 HE2 TYR 13 -9.788 -1.136 -3.279
73 HE2 TYR 13 HE1 TYR 13 -9.254 2.190 -0.662
74 HH TYR 13 HH TYR 13 -10.556 2.170 -2.641
75 H LYS 14 H LYS 14 -3.289 -3.094 -2.280
76 HA LYS 14 HA LYS 14 -1.711 -2.970 0.205
77 HB2 LYS 14 1HB LYS 14 -1.877 -5.237 -0.275
78 HB3 LYS 14 2HB LYS 14 -1.832 -4.977 -2.014
79 HG2 LYS 14 1HG LYS 14 0.500 -4.619 -1.999
80 HG3 LYS 14 2HG LYS 14 0.540 -4.479 -0.240
81 HD2 LYS 14 1HD LYS 14 0.000 -6.814 0.006
82 HD3 LYS 14 2HD LYS 14 -0.232 -6.983 -1.736
83 HE2 LYS 14 1HE LYS 14 2.201 -6.215 -1.944
84 HE3 LYS 14 2HE LYS 14 2.320 -6.536 -0.214
85 HZ1 LYS 14 3HZ LYS 14 2.406 -8.719 -0.568
86 HZ2 LYS 14 1HZ LYS 14 2.702 -8.354 -2.193
87 HZ3 LYS 14 2HZ LYS 14 1.128 -8.697 -1.677
88 H CYS 15 H CYS 15 0.147 -1.858 0.219
89 HA CYS 15 HA CYS 15 0.812 -0.144 -1.929
90 HB2 CYS 15 1HB CYS 15 1.325 0.534 0.320
91 HB3 CYS 15 2HB CYS 15 2.320 -0.895 0.580
92 H ASN 16 H ASN 16 2.876 -0.058 -3.063
93 HA ASN 16 HA ASN 16 3.814 -2.758 -3.754
94 HB2 ASN 16 1HB ASN 16 4.680 -1.558 -5.849
95 HB3 ASN 16 2HB ASN 16 2.936 -1.753 -5.698
96 HD21 ASN 16 1HD2 ASN 16 5.339 0.369 -6.431
97 HD22 ASN 16 2HD2 ASN 16 4.491 1.855 -6.189
98 H GLU 17 H GLU 17 4.848 0.460 -2.816
99 HA GLU 17 HA GLU 17 7.578 0.286 -3.227
100 HB2 GLU 17 1HB GLU 17 5.906 1.724 -1.196
101 HB3 GLU 17 2HB GLU 17 7.659 1.781 -1.087
102 HG2 GLU 17 1HG GLU 17 6.188 2.521 -3.593
103 HG3 GLU 17 2HG GLU 17 6.513 3.682 -2.307
104 H CYS 18 H CYS 18 5.845 -0.484 -0.204
105 HA CYS 18 HA CYS 18 8.163 -2.080 0.637
106 HB2 CYS 18 1HB CYS 18 7.216 -1.940 2.901
107 HB3 CYS 18 2HB CYS 18 7.461 -0.340 2.209
108 H GLY 19 H GLY 19 4.612 -2.208 0.472
109 HA2 GLY 19 1HA GLY 19 3.652 -4.245 -0.527
110 HA3 GLY 19 2HA GLY 19 4.841 -5.154 0.395
111 H LYS 20 H LYS 20 3.034 -2.424 1.660
112 HA LYS 20 HA LYS 20 2.008 -4.105 3.789
113 HB2 LYS 20 1HB LYS 20 2.948 -1.632 3.895
114 HB3 LYS 20 2HB LYS 20 1.279 -1.221 3.525
115 HG2 LYS 20 1HG LYS 20 0.491 -2.035 5.531
116 HG3 LYS 20 2HG LYS 20 1.875 -3.107 5.759
117 HD2 LYS 20 1HD LYS 20 3.298 -1.267 6.308
118 HD3 LYS 20 2HD LYS 20 2.058 -0.099 5.845
119 HE2 LYS 20 1HE LYS 20 1.507 -2.104 7.995
120 HE3 LYS 20 2HE LYS 20 2.443 -0.655 8.359
121 HZ1 LYS 20 3HZ LYS 20 0.565 0.649 7.419
122 HZ2 LYS 20 1HZ LYS 20 0.173 -0.203 8.828
123 HZ3 LYS 20 2HZ LYS 20 -0.333 -0.782 7.321
124 H VAL 21 H VAL 21 -0.272 -3.979 4.444
125 HA VAL 21 HA VAL 21 -2.055 -3.742 2.107
126 HB VAL 21 HB VAL 21 -2.274 -5.659 4.432
127 HG11 VAL 21 1HG1 VAL 21 -4.169 -6.601 3.045
128 HG12 VAL 21 2HG1 VAL 21 -4.483 -5.058 3.841
129 HG13 VAL 21 3HG1 VAL 21 -4.112 -5.102 2.117
130 HG21 VAL 21 3HG2 VAL 21 -1.606 -6.063 1.522
131 HG22 VAL 21 1HG2 VAL 21 -0.583 -6.399 2.918
132 HG23 VAL 21 2HG2 VAL 21 -2.023 -7.374 2.625
133 H PHE 22 H PHE 22 -4.284 -3.170 2.575
134 HA PHE 22 HA PHE 22 -4.848 -1.974 5.157
135 HB2 PHE 22 1HB PHE 22 -4.951 -0.286 2.649
136 HB3 PHE 22 2HB PHE 22 -5.346 0.233 4.285
137 HD1 PHE 22 HD2 PHE 22 -2.622 -0.724 2.012
138 HD2 PHE 22 HD1 PHE 22 -3.644 0.835 5.839
139 HE1 PHE 22 HE2 PHE 22 -0.286 -0.030 2.350
140 HE2 PHE 22 HE1 PHE 22 -1.309 1.531 6.183
141 HZ PHE 22 HZ PHE 22 0.374 1.098 4.437
142 H THR 23 H THR 23 -7.122 -0.913 5.054
143 HA THR 23 HA THR 23 -8.858 -2.691 3.469
144 HB THR 23 HB THR 23 -10.562 -2.403 5.230
145 HG1 THR 23 HG1 THR 23 -10.069 -1.290 7.094
146 HG21 THR 23 3HG2 THR 23 -8.187 -3.266 6.777
147 HG22 THR 23 1HG2 THR 23 -8.495 -4.107 5.259
148 HG23 THR 23 2HG2 THR 23 -9.729 -4.082 6.519
149 H GLN 24 H GLN 24 -8.209 0.589 4.455
150 HA GLN 24 HA GLN 24 -10.324 1.508 2.623
151 HB2 GLN 24 1HB GLN 24 -11.151 2.228 4.662
152 HB3 GLN 24 2HB GLN 24 -9.548 2.492 5.337
153 HG2 GLN 24 1HG GLN 24 -9.362 4.577 4.451
154 HG3 GLN 24 2HG GLN 24 -10.384 4.200 3.065
155 HE21 GLN 24 1HE2 GLN 24 -11.525 6.138 3.405
156 HE22 GLN 24 2HE2 GLN 24 -12.702 6.279 4.662
157 H ASN 25 H ASN 25 -9.725 2.870 1.045
158 HA ASN 25 HA ASN 25 -7.191 3.189 0.152
159 HB2 ASN 25 1HB ASN 25 -8.693 3.961 -1.395
160 HB3 ASN 25 2HB ASN 25 -9.676 4.786 -0.189
161 HD21 ASN 25 1HD2 ASN 25 -9.367 6.903 0.176
162 HD22 ASN 25 2HD2 ASN 25 -8.178 7.870 -0.622
163 H SER 26 H SER 26 -8.899 5.649 2.092
164 HA SER 26 HA SER 26 -6.947 7.514 2.403
165 HB2 SER 26 1HB SER 26 -8.866 6.516 4.520
166 HB3 SER 26 2HB SER 26 -7.939 8.011 4.641
167 HG SER 26 HG SER 26 -10.246 7.547 3.336
168 H HIS 27 H HIS 27 -7.287 4.522 4.273
169 HA HIS 27 HA HIS 27 -5.103 4.974 6.001
170 HB2 HIS 27 1HB HIS 27 -6.158 2.286 5.111
171 HB3 HIS 27 2HB HIS 27 -5.293 2.652 6.601
172 HD1 HIS 27 HD1 HIS 27 -7.863 1.297 7.043
173 HD2 HIS 27 HD2 HIS 27 -7.644 5.420 6.583
174 HE1 HIS 27 HE1 HIS 27 -9.949 2.205 8.114
175 H LEU 28 H LEU 28 -5.350 3.614 2.784
176 HA LEU 28 HA LEU 28 -2.625 2.661 2.768
177 HB2 LEU 28 1HB LEU 28 -4.012 1.359 1.447
178 HB3 LEU 28 2HB LEU 28 -4.859 2.757 0.786
179 HG LEU 28 HG LEU 28 -2.750 3.292 -0.486
180 HD11 LEU 28 1HD1 LEU 28 -1.949 0.744 0.818
181 HD12 LEU 28 2HD1 LEU 28 -0.993 2.181 0.458
182 HD13 LEU 28 3HD1 LEU 28 -1.407 1.052 -0.832
183 HD21 LEU 28 3HD2 LEU 28 -4.821 2.029 -1.329
184 HD22 LEU 28 1HD2 LEU 28 -3.814 0.585 -1.216
185 HD23 LEU 28 2HD2 LEU 28 -3.335 1.913 -2.274
186 H ALA 29 H ALA 29 -4.343 4.984 0.672
187 HA ALA 29 HA ALA 29 -2.278 6.168 -0.604
188 HB1 ALA 29 3HB ALA 29 -4.964 6.871 -0.020
189 HB2 ALA 29 1HB ALA 29 -3.959 8.302 0.214
190 HB3 ALA 29 2HB ALA 29 -3.935 7.449 -1.330
191 H ARG 30 H ARG 30 -3.444 7.113 2.625
192 HA ARG 30 HA ARG 30 -1.660 9.181 3.115
193 HB2 ARG 30 1HB ARG 30 -2.299 9.052 5.354
194 HB3 ARG 30 2HB ARG 30 -3.673 8.352 4.508
195 HG2 ARG 30 1HG ARG 30 -2.847 6.110 5.018
196 HG3 ARG 30 2HG ARG 30 -1.471 6.815 5.870
197 HD2 ARG 30 1HD ARG 30 -4.386 7.090 6.592
198 HD3 ARG 30 2HD ARG 30 -3.165 6.163 7.463
199 HE ARG 30 HE ARG 30 -2.436 8.904 7.243
200 HH11 ARG 30 1HH1 ARG 30 -4.479 6.696 8.995
201 HH12 ARG 30 2HH1 ARG 30 -4.539 7.679 10.421
202 HH21 ARG 30 1HH2 ARG 30 -2.508 10.207 9.114
203 HH22 ARG 30 2HH2 ARG 30 -3.419 9.676 10.487
204 H HIS 31 H HIS 31 -1.275 5.705 3.659
205 HA HIS 31 HA HIS 31 1.200 5.799 4.974
206 HB2 HIS 31 1HB HIS 31 0.196 3.722 5.126
207 HB3 HIS 31 2HB HIS 31 -0.285 3.713 3.432
208 HD1 HIS 31 HD1 HIS 31 2.620 2.963 5.677
209 HD2 HIS 31 HD2 HIS 31 1.588 2.652 1.664
210 HE1 HIS 31 HE1 HIS 31 4.407 1.535 4.632
211 H ARG 32 H ARG 32 0.392 5.618 1.535
212 HA ARG 32 HA ARG 32 2.854 5.145 0.421
213 HB2 ARG 32 1HB ARG 32 0.832 7.134 -0.626
214 HB3 ARG 32 2HB ARG 32 2.064 6.300 -1.563
215 HG2 ARG 32 1HG ARG 32 0.102 4.656 -0.060
216 HG3 ARG 32 2HG ARG 32 -0.440 5.485 -1.521
217 HD2 ARG 32 1HD ARG 32 1.821 3.508 -1.270
218 HD3 ARG 32 2HD ARG 32 0.292 3.280 -2.118
219 HE ARG 32 HE ARG 32 1.337 5.409 -3.381
220 HH11 ARG 32 1HH1 ARG 32 2.657 2.298 -2.545
221 HH12 ARG 32 2HH1 ARG 32 3.733 2.245 -3.902
222 HH21 ARG 32 1HH2 ARG 32 2.749 5.350 -5.172
223 HH22 ARG 32 2HH2 ARG 32 3.785 3.981 -5.395
224 H GLY 33 H GLY 33 1.877 7.871 2.240
225 HA2 GLY 33 1HA GLY 33 3.518 9.883 1.185
226 HA3 GLY 33 2HA GLY 33 2.961 9.799 2.849
227 H ILE 34 H ILE 34 4.281 7.169 3.237
228 HA ILE 34 HA ILE 34 6.765 8.142 4.206
229 HB ILE 34 HB ILE 34 7.190 5.949 5.000
230 HG12 ILE 34 1HG1 ILE 34 4.989 4.928 3.196
231 HG13 ILE 34 2HG1 ILE 34 6.704 4.813 2.819
232 HG21 ILE 34 1HG2 ILE 34 4.849 5.286 5.890
233 HG22 ILE 34 2HG2 ILE 34 5.538 6.841 6.352
234 HG23 ILE 34 3HG2 ILE 34 4.314 6.761 5.085
235 HD11 ILE 34 3HD1 ILE 34 6.989 3.504 4.926
236 HD12 ILE 34 1HD1 ILE 34 5.233 3.484 5.076
237 HD13 ILE 34 2HD1 ILE 34 6.008 2.720 3.688
238 H HIS 35 H HIS 35 5.770 6.900 1.182
239 HA HIS 35 HA HIS 35 8.525 6.272 0.396
240 HB2 HIS 35 1HB HIS 35 5.951 5.793 -1.119
241 HB3 HIS 35 2HB HIS 35 7.552 5.223 -1.582
242 HD1 HIS 35 HD1 HIS 35 8.672 3.626 0.436
243 HD2 HIS 35 HD2 HIS 35 4.535 3.904 0.181
244 HE1 HIS 35 HE1 HIS 35 7.786 1.623 1.673
245 H THR 36 H THR 36 5.768 8.303 -0.485
246 HA THR 36 HA THR 36 7.417 9.738 -2.430
247 HB THR 36 HB THR 36 5.365 10.840 -3.140
248 HG1 THR 36 HG1 THR 36 4.330 9.571 -0.840
249 HG21 THR 36 3HG2 THR 36 4.274 8.981 -4.128
250 HG22 THR 36 1HG2 THR 36 4.749 7.909 -2.812
251 HG23 THR 36 2HG2 THR 36 5.962 8.509 -3.942
252 H GLY 37 H GLY 37 8.167 10.068 0.250
253 HA2 GLY 37 1HA GLY 37 7.715 12.949 0.520
254 HA3 GLY 37 2HA GLY 37 7.326 11.931 1.899
255 H GLU 38 H GLU 38 8.851 12.525 3.342
256 HA GLU 38 HA GLU 38 11.604 12.885 2.554
257 HB2 GLU 38 1HB GLU 38 10.432 14.233 4.344
258 HB3 GLU 38 2HB GLU 38 10.491 12.798 5.357
259 HG2 GLU 38 1HG GLU 38 12.306 14.195 5.973
260 HG3 GLU 38 2HG GLU 38 12.969 12.808 5.109
261 H LYS 39 H LYS 39 12.851 11.181 2.177
262 HA LYS 39 HA LYS 39 12.913 9.017 4.141
263 HB2 LYS 39 1HB LYS 39 11.396 8.371 2.225
264 HB3 LYS 39 2HB LYS 39 12.806 8.452 1.176
265 HG2 LYS 39 1HG LYS 39 12.653 6.201 1.684
266 HG3 LYS 39 2HG LYS 39 13.862 6.784 2.830
267 HD2 LYS 39 1HD LYS 39 12.127 6.956 4.557
268 HD3 LYS 39 2HD LYS 39 10.930 6.353 3.408
269 HE2 LYS 39 1HE LYS 39 11.789 4.216 3.434
270 HE3 LYS 39 2HE LYS 39 13.397 4.754 3.917
271 HZ1 LYS 39 3HZ LYS 39 11.012 4.804 5.684
272 HZ2 LYS 39 1HZ LYS 39 12.605 5.164 6.125
273 HZ3 LYS 39 2HZ LYS 39 12.184 3.584 5.693
274 HA PRO 40 HA PRO 40 17.252 9.682 3.628
275 HB2 PRO 40 1HB PRO 40 18.114 7.481 4.964
276 HB3 PRO 40 2HB PRO 40 17.461 8.907 5.780
277 HG2 PRO 40 1HG PRO 40 16.111 6.318 5.118
278 HG3 PRO 40 2HG PRO 40 16.030 7.272 6.611
279 HD2 PRO 40 1HD PRO 40 14.080 7.334 4.734
280 HD3 PRO 40 2HD PRO 40 14.486 8.743 5.735
281 H SER 41 H SER 41 18.578 9.237 1.984
282 HA SER 41 HA SER 41 17.986 7.217 0.090
283 HB2 SER 41 1HB SER 41 20.153 9.237 0.444
284 HB3 SER 41 2HB SER 41 20.439 7.905 -0.675
285 HG SER 41 HG SER 41 18.944 10.105 -1.022
286 H GLY 42 H GLY 42 18.991 5.282 -0.368
287 HA2 GLY 42 1HA GLY 42 21.256 4.390 1.198
288 HA3 GLY 42 2HA GLY 42 19.748 3.573 1.579
289 HA PRO 43 HA PRO 43 21.922 1.381 -1.936
290 HB2 PRO 43 1HB PRO 43 21.985 -1.054 -0.739
291 HB3 PRO 43 2HB PRO 43 23.263 0.150 -0.534
292 HG2 PRO 43 1HG PRO 43 20.977 -0.515 1.281
293 HG3 PRO 43 2HG PRO 43 22.674 -0.199 1.688
294 HD2 PRO 43 1HD PRO 43 20.734 1.669 1.976
295 HD3 PRO 43 2HD PRO 43 22.409 2.088 1.562
296 H SER 44 H SER 44 20.565 0.835 -3.512
297 HA SER 44 HA SER 44 17.846 0.159 -3.045
298 HB2 SER 44 1HB SER 44 17.791 -0.242 -5.520
299 HB3 SER 44 2HB SER 44 18.437 1.335 -5.068
300 HG SER 44 HG SER 44 19.771 0.402 -6.614
301 H SER 45 H SER 45 16.813 -1.811 -3.997
302 HA SER 45 HA SER 45 18.424 -4.198 -4.166
303 HB2 SER 45 1HB SER 45 17.966 -3.677 -1.659
304 HB3 SER 45 2HB SER 45 16.323 -4.209 -2.015
305 HG SER 45 HG SER 45 17.535 -6.118 -2.984
306 H GLY 46 H GLY 46 17.506 -5.604 -5.528
307 HA2 GLY 46 1HA GLY 46 15.595 -6.860 -6.292
308 HA3 GLY 46 2HA GLY 46 14.590 -5.466 -5.929
Start of MODEL 18
1 H1 GLY 1 H GLY 1 6.875 -29.334 6.775
2 HA2 GLY 1 1HA GLY 1 6.823 -26.675 7.530
3 HA3 GLY 1 2HA GLY 1 7.667 -26.714 5.989
4 H SER 2 H SER 2 5.100 -25.493 6.657
5 HA SER 2 HA SER 2 3.470 -26.887 4.647
6 HB2 SER 2 1HB SER 2 2.500 -27.455 6.801
7 HB3 SER 2 2HB SER 2 2.478 -25.757 7.276
8 HG SER 2 HG SER 2 1.192 -25.817 5.030
9 H SER 3 H SER 3 2.208 -25.574 3.330
10 HA SER 3 HA SER 3 2.395 -22.678 3.712
11 HB2 SER 3 1HB SER 3 3.105 -22.310 1.408
12 HB3 SER 3 2HB SER 3 4.277 -23.334 2.237
13 HG SER 3 HG SER 3 2.708 -23.881 0.075
14 H GLY 4 H GLY 4 0.343 -22.043 3.781
15 HA2 GLY 4 1HA GLY 4 -1.417 -22.710 1.562
16 HA3 GLY 4 2HA GLY 4 -1.948 -23.257 3.145
17 H SER 5 H SER 5 -3.697 -21.698 2.069
18 HA SER 5 HA SER 5 -3.725 -19.374 3.724
19 HB2 SER 5 1HB SER 5 -2.364 -18.334 2.082
20 HB3 SER 5 2HB SER 5 -3.285 -19.046 0.757
21 HG SER 5 HG SER 5 -3.775 -16.808 1.175
22 H SER 6 H SER 6 -5.771 -18.470 3.904
23 HA SER 6 HA SER 6 -7.898 -19.967 2.524
24 HB2 SER 6 1HB SER 6 -7.925 -20.291 4.940
25 HB3 SER 6 2HB SER 6 -7.948 -18.547 5.198
26 HG SER 6 HG SER 6 -10.025 -18.621 4.980
27 H GLY 7 H GLY 7 -9.823 -18.821 1.908
28 HA2 GLY 7 1HA GLY 7 -9.235 -16.026 1.186
29 HA3 GLY 7 2HA GLY 7 -10.344 -17.083 0.326
30 H THR 8 H THR 8 -9.972 -16.075 3.727
31 HA THR 8 HA THR 8 -12.852 -15.832 3.971
32 HB THR 8 HB THR 8 -11.700 -16.847 5.832
33 HG1 THR 8 HG1 THR 8 -12.381 -14.244 6.727
34 HG21 THR 8 3HG2 THR 8 -9.522 -16.077 5.861
35 HG22 THR 8 1HG2 THR 8 -10.215 -15.203 7.226
36 HG23 THR 8 2HG2 THR 8 -10.003 -14.391 5.675
37 H GLY 9 H GLY 9 -10.149 -13.801 3.371
38 HA2 GLY 9 1HA GLY 9 -11.924 -11.459 3.504
39 HA3 GLY 9 2HA GLY 9 -10.359 -11.394 4.302
40 H GLU 10 H GLU 10 -10.906 -9.520 2.438
41 HA GLU 10 HA GLU 10 -9.287 -10.376 0.128
42 HB2 GLU 10 1HB GLU 10 -11.645 -8.508 0.255
43 HB3 GLU 10 2HB GLU 10 -10.498 -8.457 -1.076
44 HG2 GLU 10 1HG GLU 10 -10.977 -10.876 -1.474
45 HG3 GLU 10 2HG GLU 10 -12.262 -10.754 -0.273
46 H LYS 11 H LYS 11 -7.814 -8.853 -0.731
47 HA LYS 11 HA LYS 11 -7.251 -6.526 0.974
48 HB2 LYS 11 1HB LYS 11 -5.133 -8.388 -0.111
49 HB3 LYS 11 2HB LYS 11 -4.877 -6.992 0.928
50 HG2 LYS 11 1HG LYS 11 -5.877 -8.069 2.780
51 HG3 LYS 11 2HG LYS 11 -6.509 -9.371 1.769
52 HD2 LYS 11 1HD LYS 11 -4.661 -10.362 2.749
53 HD3 LYS 11 2HD LYS 11 -4.007 -9.798 1.209
54 HE2 LYS 11 1HE LYS 11 -2.857 -8.041 2.198
55 HE3 LYS 11 2HE LYS 11 -3.875 -8.056 3.638
56 HZ1 LYS 11 3HZ LYS 11 -1.962 -9.029 4.403
57 HZ2 LYS 11 1HZ LYS 11 -1.621 -9.808 2.940
58 HZ3 LYS 11 2HZ LYS 11 -2.842 -10.401 3.950
59 HA PRO 12 HA PRO 12 -7.387 -5.472 -3.568
60 HB2 PRO 12 1HB PRO 12 -9.093 -3.379 -3.287
61 HB3 PRO 12 2HB PRO 12 -9.644 -5.043 -3.513
62 HG2 PRO 12 1HG PRO 12 -9.413 -3.451 -0.989
63 HG3 PRO 12 2HG PRO 12 -10.719 -4.529 -1.516
64 HD2 PRO 12 1HD PRO 12 -8.828 -5.295 0.264
65 HD3 PRO 12 2HD PRO 12 -9.581 -6.428 -0.876
66 H TYR 13 H TYR 13 -6.684 -3.854 -0.606
67 HA TYR 13 HA TYR 13 -5.254 -1.731 -2.063
68 HB2 TYR 13 1HB TYR 13 -6.160 -1.745 0.824
69 HB3 TYR 13 2HB TYR 13 -5.372 -0.410 -0.010
70 HD1 TYR 13 HD2 TYR 13 -8.490 -2.303 0.365
71 HD2 TYR 13 HD1 TYR 13 -6.593 0.973 -1.578
72 HE1 TYR 13 HE2 TYR 13 -10.689 -1.450 -0.332
73 HE2 TYR 13 HE1 TYR 13 -8.787 1.836 -2.279
74 HH TYR 13 HH TYR 13 -11.178 1.647 -1.482
75 H LYS 14 H LYS 14 -3.177 -2.211 -2.299
76 HA LYS 14 HA LYS 14 -1.627 -2.981 0.043
77 HB2 LYS 14 1HB LYS 14 -2.027 -5.149 -0.786
78 HB3 LYS 14 2HB LYS 14 -1.857 -4.634 -2.459
79 HG2 LYS 14 1HG LYS 14 0.457 -4.576 -2.342
80 HG3 LYS 14 2HG LYS 14 0.463 -4.476 -0.580
81 HD2 LYS 14 1HD LYS 14 -0.595 -6.817 -0.646
82 HD3 LYS 14 2HD LYS 14 -0.066 -6.858 -2.330
83 HE2 LYS 14 1HE LYS 14 2.217 -6.626 -1.700
84 HE3 LYS 14 2HE LYS 14 1.784 -6.254 -0.032
85 HZ1 LYS 14 3HZ LYS 14 2.528 -8.506 -0.155
86 HZ2 LYS 14 1HZ LYS 14 1.454 -8.860 -1.414
87 HZ3 LYS 14 2HZ LYS 14 0.861 -8.525 0.134
88 H CYS 15 H CYS 15 0.257 -1.927 0.116
89 HA CYS 15 HA CYS 15 0.930 -0.061 -1.934
90 HB2 CYS 15 1HB CYS 15 1.404 0.587 0.306
91 HB3 CYS 15 2HB CYS 15 2.297 -0.897 0.621
92 H ASN 16 H ASN 16 2.795 0.003 -3.230
93 HA ASN 16 HA ASN 16 3.857 -2.653 -3.875
94 HB2 ASN 16 1HB ASN 16 2.740 -1.060 -5.602
95 HB3 ASN 16 2HB ASN 16 4.277 -0.201 -5.560
96 HD21 ASN 16 1HD2 ASN 16 5.712 -0.810 -6.998
97 HD22 ASN 16 2HD2 ASN 16 5.794 -2.354 -7.769
98 H GLU 17 H GLU 17 4.799 0.545 -2.837
99 HA GLU 17 HA GLU 17 7.527 0.502 -3.313
100 HB2 GLU 17 1HB GLU 17 5.994 1.694 -0.999
101 HB3 GLU 17 2HB GLU 17 7.697 2.006 -1.305
102 HG2 GLU 17 1HG GLU 17 5.772 2.489 -3.510
103 HG3 GLU 17 2HG GLU 17 5.804 3.626 -2.163
104 H CYS 18 H CYS 18 5.827 -0.589 -0.376
105 HA CYS 18 HA CYS 18 8.221 -2.160 0.317
106 HB2 CYS 18 1HB CYS 18 7.431 -2.074 2.647
107 HB3 CYS 18 2HB CYS 18 7.682 -0.460 1.989
108 H GLY 19 H GLY 19 4.664 -2.208 0.405
109 HA2 GLY 19 1HA GLY 19 3.669 -4.249 -0.634
110 HA3 GLY 19 2HA GLY 19 4.815 -5.160 0.338
111 H LYS 20 H LYS 20 3.215 -2.340 1.608
112 HA LYS 20 HA LYS 20 2.125 -3.854 3.779
113 HB2 LYS 20 1HB LYS 20 2.953 -1.344 3.645
114 HB3 LYS 20 2HB LYS 20 1.270 -1.046 3.232
115 HG2 LYS 20 1HG LYS 20 0.505 -1.675 5.306
116 HG3 LYS 20 2HG LYS 20 1.915 -2.684 5.637
117 HD2 LYS 20 1HD LYS 20 3.268 -0.819 6.116
118 HD3 LYS 20 2HD LYS 20 2.119 0.304 5.384
119 HE2 LYS 20 1HE LYS 20 1.979 0.497 7.776
120 HE3 LYS 20 2HE LYS 20 0.503 -0.259 7.178
121 HZ1 LYS 20 3HZ LYS 20 2.726 -1.965 8.057
122 HZ2 LYS 20 1HZ LYS 20 1.063 -2.274 8.073
123 HZ3 LYS 20 2HZ LYS 20 1.741 -1.238 9.224
124 H VAL 21 H VAL 21 -0.241 -3.372 4.433
125 HA VAL 21 HA VAL 21 -2.024 -3.417 2.106
126 HB VAL 21 HB VAL 21 -2.030 -5.484 4.308
127 HG11 VAL 21 1HG1 VAL 21 -3.903 -6.352 2.595
128 HG12 VAL 21 2HG1 VAL 21 -4.269 -5.351 4.002
129 HG13 VAL 21 3HG1 VAL 21 -4.116 -4.612 2.407
130 HG21 VAL 21 3HG2 VAL 21 -1.970 -6.169 1.420
131 HG22 VAL 21 1HG2 VAL 21 -0.489 -5.549 2.150
132 HG23 VAL 21 2HG2 VAL 21 -1.249 -7.002 2.797
133 H PHE 22 H PHE 22 -4.130 -2.711 2.503
134 HA PHE 22 HA PHE 22 -4.804 -1.840 5.207
135 HB2 PHE 22 1HB PHE 22 -4.845 0.035 2.832
136 HB3 PHE 22 2HB PHE 22 -5.396 0.417 4.460
137 HD1 PHE 22 HD2 PHE 22 -2.485 -0.137 2.320
138 HD2 PHE 22 HD1 PHE 22 -3.825 0.836 6.241
139 HE1 PHE 22 HE2 PHE 22 -0.217 0.616 2.905
140 HE2 PHE 22 HE1 PHE 22 -1.560 1.592 6.832
141 HZ PHE 22 HZ PHE 22 0.248 1.482 5.163
142 H THR 23 H THR 23 -7.093 -1.018 5.304
143 HA THR 23 HA THR 23 -8.766 -2.729 3.610
144 HB THR 23 HB THR 23 -9.049 -3.052 6.008
145 HG1 THR 23 HG1 THR 23 -11.374 -1.651 5.263
146 HG21 THR 23 3HG2 THR 23 -10.033 -1.233 7.387
147 HG22 THR 23 1HG2 THR 23 -9.772 -0.120 6.045
148 HG23 THR 23 2HG2 THR 23 -8.394 -0.882 6.840
149 H GLN 24 H GLN 24 -8.354 0.614 4.637
150 HA GLN 24 HA GLN 24 -10.392 1.417 2.668
151 HB2 GLN 24 1HB GLN 24 -10.954 2.073 4.958
152 HB3 GLN 24 2HB GLN 24 -9.411 2.903 5.111
153 HG2 GLN 24 1HG GLN 24 -10.757 4.668 4.634
154 HG3 GLN 24 2HG GLN 24 -10.280 4.206 3.001
155 HE21 GLN 24 1HE2 GLN 24 -11.775 3.260 1.640
156 HE22 GLN 24 2HE2 GLN 24 -13.469 3.248 1.982
157 H ASN 25 H ASN 25 -9.768 2.566 0.954
158 HA ASN 25 HA ASN 25 -7.267 2.847 0.019
159 HB2 ASN 25 1HB ASN 25 -9.334 3.467 -1.221
160 HB3 ASN 25 2HB ASN 25 -9.393 4.975 -0.313
161 HD21 ASN 25 1HD2 ASN 25 -9.090 4.423 -3.198
162 HD22 ASN 25 2HD2 ASN 25 -7.653 5.256 -3.674
163 H SER 26 H SER 26 -8.914 5.356 1.940
164 HA SER 26 HA SER 26 -6.968 7.268 2.062
165 HB2 SER 26 1HB SER 26 -8.651 6.402 4.424
166 HB3 SER 26 2HB SER 26 -7.931 7.991 4.167
167 HG SER 26 HG SER 26 -10.265 7.583 3.570
168 H HIS 27 H HIS 27 -7.293 4.512 4.297
169 HA HIS 27 HA HIS 27 -5.080 4.989 5.885
170 HB2 HIS 27 1HB HIS 27 -6.103 2.283 4.999
171 HB3 HIS 27 2HB HIS 27 -5.115 2.606 6.421
172 HD1 HIS 27 HD1 HIS 27 -7.874 1.252 6.666
173 HD2 HIS 27 HD2 HIS 27 -7.224 5.335 7.067
174 HE1 HIS 27 HE1 HIS 27 -9.801 2.108 8.036
175 H LEU 28 H LEU 28 -5.258 3.591 2.678
176 HA LEU 28 HA LEU 28 -2.493 2.766 2.669
177 HB2 LEU 28 1HB LEU 28 -3.857 1.412 1.355
178 HB3 LEU 28 2HB LEU 28 -4.706 2.788 0.653
179 HG LEU 28 HG LEU 28 -2.649 3.335 -0.628
180 HD11 LEU 28 1HD1 LEU 28 -1.678 0.692 0.449
181 HD12 LEU 28 2HD1 LEU 28 -1.017 2.279 0.841
182 HD13 LEU 28 3HD1 LEU 28 -0.888 1.652 -0.802
183 HD21 LEU 28 3HD2 LEU 28 -4.595 1.508 -1.181
184 HD22 LEU 28 1HD2 LEU 28 -3.128 0.560 -1.431
185 HD23 LEU 28 2HD2 LEU 28 -3.371 2.061 -2.325
186 H ALA 29 H ALA 29 -4.286 4.982 0.522
187 HA ALA 29 HA ALA 29 -2.318 6.262 -0.764
188 HB1 ALA 29 3HB ALA 29 -3.746 8.047 -1.124
189 HB2 ALA 29 1HB ALA 29 -4.861 6.747 -0.701
190 HB3 ALA 29 2HB ALA 29 -4.428 7.964 0.500
191 H ARG 30 H ARG 30 -3.330 7.046 2.552
192 HA ARG 30 HA ARG 30 -1.489 9.144 2.947
193 HB2 ARG 30 1HB ARG 30 -2.067 9.027 5.255
194 HB3 ARG 30 2HB ARG 30 -3.526 8.653 4.347
195 HG2 ARG 30 1HG ARG 30 -3.183 6.274 4.759
196 HG3 ARG 30 2HG ARG 30 -1.709 6.641 5.657
197 HD2 ARG 30 1HD ARG 30 -3.239 8.144 7.097
198 HD3 ARG 30 2HD ARG 30 -4.558 7.216 6.383
199 HE ARG 30 HE ARG 30 -2.966 5.271 7.283
200 HH11 ARG 30 1HH1 ARG 30 -4.099 8.194 8.797
201 HH12 ARG 30 2HH1 ARG 30 -4.080 7.528 10.396
202 HH21 ARG 30 1HH2 ARG 30 -2.937 4.383 9.384
203 HH22 ARG 30 2HH2 ARG 30 -3.418 5.360 10.729
204 H HIS 31 H HIS 31 -1.312 5.672 3.596
205 HA HIS 31 HA HIS 31 1.105 5.625 4.990
206 HB2 HIS 31 1HB HIS 31 0.049 3.584 5.069
207 HB3 HIS 31 2HB HIS 31 -0.434 3.648 3.376
208 HD1 HIS 31 HD1 HIS 31 2.589 2.915 5.523
209 HD2 HIS 31 HD2 HIS 31 1.227 2.322 1.643
210 HE1 HIS 31 HE1 HIS 31 4.263 1.375 4.451
211 H ARG 32 H ARG 32 0.557 5.077 1.507
212 HA ARG 32 HA ARG 32 3.086 4.707 0.607
213 HB2 ARG 32 1HB ARG 32 1.042 6.502 -0.713
214 HB3 ARG 32 2HB ARG 32 2.405 5.728 -1.509
215 HG2 ARG 32 1HG ARG 32 1.438 3.527 -0.965
216 HG3 ARG 32 2HG ARG 32 0.044 4.344 -0.256
217 HD2 ARG 32 1HD ARG 32 0.952 4.517 -3.127
218 HD3 ARG 32 2HD ARG 32 -0.446 3.627 -2.526
219 HE ARG 32 HE ARG 32 -0.626 6.353 -1.796
220 HH11 ARG 32 1HH1 ARG 32 -0.931 4.226 -4.535
221 HH12 ARG 32 2HH1 ARG 32 -2.054 5.249 -5.369
222 HH21 ARG 32 1HH2 ARG 32 -2.104 7.708 -2.884
223 HH22 ARG 32 2HH2 ARG 32 -2.719 7.229 -4.429
224 H GLY 33 H GLY 33 1.800 7.606 1.981
225 HA2 GLY 33 1HA GLY 33 3.480 9.557 0.935
226 HA3 GLY 33 2HA GLY 33 2.796 9.593 2.553
227 H ILE 34 H ILE 34 4.075 7.302 3.595
228 HA ILE 34 HA ILE 34 6.397 8.339 4.642
229 HB ILE 34 HB ILE 34 6.952 6.153 5.432
230 HG12 ILE 34 1HG1 ILE 34 4.924 4.972 3.534
231 HG13 ILE 34 2HG1 ILE 34 6.638 5.076 3.146
232 HG21 ILE 34 1HG2 ILE 34 5.235 6.325 6.824
233 HG22 ILE 34 2HG2 ILE 34 4.325 7.237 5.621
234 HG23 ILE 34 3HG2 ILE 34 4.220 5.478 5.657
235 HD11 ILE 34 3HD1 ILE 34 5.213 3.227 4.892
236 HD12 ILE 34 1HD1 ILE 34 6.753 3.044 4.052
237 HD13 ILE 34 2HD1 ILE 34 6.686 3.891 5.598
238 H HIS 35 H HIS 35 5.926 6.699 1.605
239 HA HIS 35 HA HIS 35 8.754 6.333 1.127
240 HB2 HIS 35 1HB HIS 35 6.428 6.010 -0.780
241 HB3 HIS 35 2HB HIS 35 8.073 5.437 -1.036
242 HD1 HIS 35 HD1 HIS 35 8.819 3.781 1.187
243 HD2 HIS 35 HD2 HIS 35 4.846 3.975 -0.013
244 HE1 HIS 35 HE1 HIS 35 7.741 1.697 2.091
245 H THR 36 H THR 36 6.190 8.523 0.105
246 HA THR 36 HA THR 36 7.918 9.947 -1.722
247 HB THR 36 HB THR 36 5.987 11.497 -1.976
248 HG1 THR 36 HG1 THR 36 5.037 11.283 0.068
249 HG21 THR 36 3HG2 THR 36 5.756 8.555 -2.404
250 HG22 THR 36 1HG2 THR 36 5.890 9.857 -3.585
251 HG23 THR 36 2HG2 THR 36 4.361 9.575 -2.753
252 H GLY 37 H GLY 37 8.979 9.890 0.871
253 HA2 GLY 37 1HA GLY 37 8.919 12.767 1.495
254 HA3 GLY 37 2HA GLY 37 8.740 11.593 2.791
255 H GLU 38 H GLU 38 10.523 10.212 3.297
256 HA GLU 38 HA GLU 38 13.022 11.555 3.197
257 HB2 GLU 38 1HB GLU 38 12.365 10.130 5.086
258 HB3 GLU 38 2HB GLU 38 12.386 8.720 4.035
259 HG2 GLU 38 1HG GLU 38 14.402 8.643 5.214
260 HG3 GLU 38 2HG GLU 38 14.826 9.246 3.613
261 H LYS 39 H LYS 39 14.984 10.852 2.239
262 HA LYS 39 HA LYS 39 14.960 10.312 -0.429
263 HB2 LYS 39 1HB LYS 39 17.310 9.541 -0.175
264 HB3 LYS 39 2HB LYS 39 16.975 11.043 0.675
265 HG2 LYS 39 1HG LYS 39 16.980 9.974 2.775
266 HG3 LYS 39 2HG LYS 39 16.913 8.369 2.041
267 HD2 LYS 39 1HD LYS 39 19.216 10.259 1.615
268 HD3 LYS 39 2HD LYS 39 19.165 9.104 2.949
269 HE2 LYS 39 1HE LYS 39 19.413 7.296 1.572
270 HE3 LYS 39 2HE LYS 39 18.637 8.093 0.205
271 HZ1 LYS 39 3HZ LYS 39 21.089 9.358 0.968
272 HZ2 LYS 39 1HZ LYS 39 20.587 8.808 -0.552
273 HZ3 LYS 39 2HZ LYS 39 21.315 7.738 0.538
274 HA PRO 40 HA PRO 40 13.657 6.110 -0.835
275 HB2 PRO 40 1HB PRO 40 14.429 5.735 -3.411
276 HB3 PRO 40 2HB PRO 40 13.009 6.686 -2.963
277 HG2 PRO 40 1HG PRO 40 15.759 7.617 -3.690
278 HG3 PRO 40 2HG PRO 40 14.188 8.271 -4.188
279 HD2 PRO 40 1HD PRO 40 15.677 9.394 -2.226
280 HD3 PRO 40 2HD PRO 40 13.902 9.428 -2.215
281 H SER 41 H SER 41 14.517 4.016 -0.972
282 HA SER 41 HA SER 41 17.225 3.760 -0.133
283 HB2 SER 41 1HB SER 41 16.781 1.344 -0.134
284 HB3 SER 41 2HB SER 41 15.462 2.223 0.638
285 HG SER 41 HG SER 41 14.188 1.380 -0.787
286 H GLY 42 H GLY 42 15.504 2.929 -3.129
287 HA2 GLY 42 1HA GLY 42 17.490 3.577 -4.905
288 HA3 GLY 42 2HA GLY 42 17.853 1.925 -4.428
289 HA PRO 43 HA PRO 43 13.599 2.038 -6.800
290 HB2 PRO 43 1HB PRO 43 13.376 4.112 -8.538
291 HB3 PRO 43 2HB PRO 43 12.781 4.184 -6.875
292 HG2 PRO 43 1HG PRO 43 15.329 5.256 -8.022
293 HG3 PRO 43 2HG PRO 43 14.214 6.015 -6.872
294 HD2 PRO 43 1HD PRO 43 16.520 4.826 -6.097
295 HD3 PRO 43 2HD PRO 43 15.065 4.842 -5.080
296 H SER 44 H SER 44 13.942 0.433 -8.196
297 HA SER 44 HA SER 44 16.156 0.369 -9.989
298 HB2 SER 44 1HB SER 44 13.713 -1.405 -9.781
299 HB3 SER 44 2HB SER 44 15.097 -1.734 -10.823
300 HG SER 44 HG SER 44 15.909 -1.210 -8.307
301 H SER 45 H SER 45 12.641 0.386 -10.609
302 HA SER 45 HA SER 45 13.068 1.124 -13.369
303 HB2 SER 45 1HB SER 45 11.205 -0.407 -12.457
304 HB3 SER 45 2HB SER 45 10.400 1.084 -11.967
305 HG SER 45 HG SER 45 9.719 1.174 -13.943
306 H GLY 46 H GLY 46 11.570 2.939 -14.240
307 HA2 GLY 46 1HA GLY 46 10.542 5.090 -13.162
308 HA3 GLY 46 2HA GLY 46 12.214 5.338 -12.681
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -4.105 -29.159 -10.839
2 HA2 GLY 1 1HA GLY 1 -5.499 -29.150 -8.893
3 HA3 GLY 1 2HA GLY 1 -6.075 -30.749 -9.342
4 H SER 2 H SER 2 -2.991 -29.138 -8.557
5 HA SER 2 HA SER 2 -2.106 -31.594 -7.233
6 HB2 SER 2 1HB SER 2 -0.617 -29.097 -8.064
7 HB3 SER 2 2HB SER 2 0.121 -30.414 -7.153
8 HG SER 2 HG SER 2 0.536 -30.963 -9.199
9 H SER 3 H SER 3 -1.975 -28.088 -6.576
10 HA SER 3 HA SER 3 -3.020 -28.410 -3.935
11 HB2 SER 3 1HB SER 3 -0.465 -29.090 -3.927
12 HB3 SER 3 2HB SER 3 -0.225 -27.343 -3.911
13 HG SER 3 HG SER 3 -0.988 -28.985 -1.905
14 H GLY 4 H GLY 4 -3.699 -26.481 -3.059
15 HA2 GLY 4 1HA GLY 4 -2.796 -23.960 -4.161
16 HA3 GLY 4 2HA GLY 4 -4.444 -24.390 -4.590
17 H SER 5 H SER 5 -3.794 -22.094 -3.131
18 HA SER 5 HA SER 5 -5.112 -22.717 -0.579
19 HB2 SER 5 1HB SER 5 -3.667 -21.292 0.657
20 HB3 SER 5 2HB SER 5 -2.606 -22.291 -0.337
21 HG SER 5 HG SER 5 -1.886 -20.245 -0.617
22 H SER 6 H SER 6 -6.376 -21.007 0.307
23 HA SER 6 HA SER 6 -7.123 -18.953 -1.671
24 HB2 SER 6 1HB SER 6 -9.395 -19.171 -1.078
25 HB3 SER 6 2HB SER 6 -8.809 -20.832 -1.163
26 HG SER 6 HG SER 6 -10.094 -20.191 0.754
27 H GLY 7 H GLY 7 -8.204 -17.019 -0.660
28 HA2 GLY 7 1HA GLY 7 -6.724 -16.292 1.786
29 HA3 GLY 7 2HA GLY 7 -7.253 -15.155 0.554
30 H THR 8 H THR 8 -7.846 -16.168 3.600
31 HA THR 8 HA THR 8 -10.646 -16.361 3.745
32 HB THR 8 HB THR 8 -8.808 -15.284 5.890
33 HG1 THR 8 HG1 THR 8 -9.648 -17.979 5.573
34 HG21 THR 8 3HG2 THR 8 -10.803 -14.968 6.895
35 HG22 THR 8 1HG2 THR 8 -10.749 -16.712 7.143
36 HG23 THR 8 2HG2 THR 8 -11.649 -16.043 5.782
37 H GLY 9 H GLY 9 -8.509 -13.563 4.325
38 HA2 GLY 9 1HA GLY 9 -10.823 -11.792 4.393
39 HA3 GLY 9 2HA GLY 9 -9.157 -11.343 4.726
40 H GLU 10 H GLU 10 -9.444 -9.495 3.382
41 HA GLU 10 HA GLU 10 -8.977 -10.107 0.566
42 HB2 GLU 10 1HB GLU 10 -11.476 -9.542 1.127
43 HB3 GLU 10 2HB GLU 10 -10.883 -7.889 1.214
44 HG2 GLU 10 1HG GLU 10 -9.930 -8.242 -1.096
45 HG3 GLU 10 2HG GLU 10 -10.855 -9.741 -1.149
46 H LYS 11 H LYS 11 -7.542 -8.764 -0.394
47 HA LYS 11 HA LYS 11 -6.696 -6.376 1.109
48 HB2 LYS 11 1HB LYS 11 -4.370 -6.861 0.277
49 HB3 LYS 11 2HB LYS 11 -4.985 -7.996 1.472
50 HG2 LYS 11 1HG LYS 11 -5.700 -9.383 -0.610
51 HG3 LYS 11 2HG LYS 11 -4.499 -8.394 -1.444
52 HD2 LYS 11 1HD LYS 11 -3.203 -10.170 -0.780
53 HD3 LYS 11 2HD LYS 11 -2.986 -9.079 0.590
54 HE2 LYS 11 1HE LYS 11 -5.027 -10.318 1.587
55 HE3 LYS 11 2HE LYS 11 -4.658 -11.556 0.388
56 HZ1 LYS 11 3HZ LYS 11 -2.951 -12.275 1.591
57 HZ2 LYS 11 1HZ LYS 11 -3.529 -11.319 2.861
58 HZ3 LYS 11 2HZ LYS 11 -2.336 -10.717 1.825
59 HA PRO 12 HA PRO 12 -7.827 -5.332 -3.298
60 HB2 PRO 12 1HB PRO 12 -9.471 -3.270 -2.654
61 HB3 PRO 12 2HB PRO 12 -10.028 -4.944 -2.764
62 HG2 PRO 12 1HG PRO 12 -9.294 -3.346 -0.341
63 HG3 PRO 12 2HG PRO 12 -10.663 -4.447 -0.583
64 HD2 PRO 12 1HD PRO 12 -8.424 -5.177 0.754
65 HD3 PRO 12 2HD PRO 12 -9.381 -6.325 -0.205
66 H TYR 13 H TYR 13 -6.510 -3.723 -0.557
67 HA TYR 13 HA TYR 13 -5.251 -1.745 -2.338
68 HB2 TYR 13 1HB TYR 13 -6.144 -1.234 0.507
69 HB3 TYR 13 2HB TYR 13 -5.361 -0.076 -0.563
70 HD1 TYR 13 HD1 TYR 13 -6.588 0.787 -2.550
71 HD2 TYR 13 HD2 TYR 13 -8.485 -1.643 0.381
72 HE1 TYR 13 HE1 TYR 13 -8.786 1.516 -3.378
73 HE2 TYR 13 HE2 TYR 13 -10.689 -0.923 -0.439
74 HH TYR 13 HH TYR 13 -11.345 0.223 -3.186
75 H LYS 14 H LYS 14 -3.248 -2.568 -2.523
76 HA LYS 14 HA LYS 14 -1.722 -2.950 -0.039
77 HB2 LYS 14 1HB LYS 14 -2.047 -5.173 -0.702
78 HB3 LYS 14 2HB LYS 14 -1.900 -4.783 -2.411
79 HG2 LYS 14 1HG LYS 14 0.423 -4.642 -2.303
80 HG3 LYS 14 2HG LYS 14 0.424 -4.475 -0.546
81 HD2 LYS 14 1HD LYS 14 -0.264 -6.775 -0.285
82 HD3 LYS 14 2HD LYS 14 -0.431 -6.958 -2.033
83 HE2 LYS 14 1HE LYS 14 1.984 -6.515 -2.277
84 HE3 LYS 14 2HE LYS 14 2.124 -6.417 -0.522
85 HZ1 LYS 14 3HZ LYS 14 2.766 -8.591 -1.232
86 HZ2 LYS 14 1HZ LYS 14 1.336 -8.797 -2.111
87 HZ3 LYS 14 2HZ LYS 14 1.287 -8.724 -0.422
88 H CYS 15 H CYS 15 0.154 -1.880 0.020
89 HA CYS 15 HA CYS 15 0.871 -0.094 -2.056
90 HB2 CYS 15 1HB CYS 15 1.386 0.485 0.220
91 HB3 CYS 15 2HB CYS 15 2.343 -0.979 0.430
92 H ASN 16 H ASN 16 3.004 -0.012 -3.112
93 HA ASN 16 HA ASN 16 3.868 -2.712 -3.906
94 HB2 ASN 16 1HB ASN 16 3.725 -0.113 -5.412
95 HB3 ASN 16 2HB ASN 16 4.778 -1.415 -5.955
96 HD21 ASN 16 1HD2 ASN 16 3.620 -1.695 -7.850
97 HD22 ASN 16 2HD2 ASN 16 2.057 -2.433 -7.876
98 H GLU 17 H GLU 17 4.943 0.464 -2.880
99 HA GLU 17 HA GLU 17 7.679 0.237 -3.292
100 HB2 GLU 17 1HB GLU 17 6.062 1.688 -1.212
101 HB3 GLU 17 2HB GLU 17 7.819 1.763 -1.217
102 HG2 GLU 17 1HG GLU 17 6.068 2.557 -3.531
103 HG3 GLU 17 2HG GLU 17 6.740 3.674 -2.345
104 H CYS 18 H CYS 18 5.940 -0.430 -0.246
105 HA CYS 18 HA CYS 18 8.204 -2.082 0.616
106 HB2 CYS 18 1HB CYS 18 7.224 -1.930 2.861
107 HB3 CYS 18 2HB CYS 18 7.479 -0.330 2.171
108 H GLY 19 H GLY 19 4.657 -2.179 0.368
109 HA2 GLY 19 1HA GLY 19 3.694 -4.204 -0.642
110 HA3 GLY 19 2HA GLY 19 4.862 -5.126 0.292
111 H LYS 20 H LYS 20 3.131 -2.388 1.607
112 HA LYS 20 HA LYS 20 2.061 -4.051 3.709
113 HB2 LYS 20 1HB LYS 20 2.963 -1.564 3.787
114 HB3 LYS 20 2HB LYS 20 1.292 -1.183 3.392
115 HG2 LYS 20 1HG LYS 20 0.494 -1.955 5.404
116 HG3 LYS 20 2HG LYS 20 1.869 -3.032 5.657
117 HD2 LYS 20 1HD LYS 20 3.236 -1.323 6.408
118 HD3 LYS 20 2HD LYS 20 2.290 -0.073 5.597
119 HE2 LYS 20 1HE LYS 20 0.543 -0.244 7.207
120 HE3 LYS 20 2HE LYS 20 1.254 -1.694 7.914
121 HZ1 LYS 20 3HZ LYS 20 2.038 -0.186 9.379
122 HZ2 LYS 20 1HZ LYS 20 1.984 1.101 8.282
123 HZ3 LYS 20 2HZ LYS 20 3.262 -0.005 8.225
124 H VAL 21 H VAL 21 -0.266 -3.736 4.380
125 HA VAL 21 HA VAL 21 -2.044 -3.503 2.048
126 HB VAL 21 HB VAL 21 -2.157 -5.680 4.140
127 HG11 VAL 21 1HG1 VAL 21 -4.173 -4.600 2.318
128 HG12 VAL 21 2HG1 VAL 21 -3.962 -6.349 2.199
129 HG13 VAL 21 3HG1 VAL 21 -4.362 -5.611 3.750
130 HG21 VAL 21 3HG2 VAL 21 -1.910 -7.147 2.099
131 HG22 VAL 21 1HG2 VAL 21 -1.483 -5.687 1.207
132 HG23 VAL 21 2HG2 VAL 21 -0.480 -6.222 2.556
133 H PHE 22 H PHE 22 -4.045 -2.618 2.428
134 HA PHE 22 HA PHE 22 -4.730 -1.906 5.188
135 HB2 PHE 22 1HB PHE 22 -4.821 0.064 2.896
136 HB3 PHE 22 2HB PHE 22 -5.229 0.386 4.578
137 HD1 PHE 22 HD1 PHE 22 -3.487 0.579 6.266
138 HD2 PHE 22 HD2 PHE 22 -2.539 -0.063 2.166
139 HE1 PHE 22 HE1 PHE 22 -1.157 1.237 6.705
140 HE2 PHE 22 HE2 PHE 22 -0.207 0.593 2.599
141 HZ PHE 22 HZ PHE 22 0.487 1.243 4.871
142 H THR 23 H THR 23 -6.969 -1.392 5.510
143 HA THR 23 HA THR 23 -8.694 -2.685 3.512
144 HB THR 23 HB THR 23 -8.712 -3.674 5.782
145 HG1 THR 23 HG1 THR 23 -10.777 -4.083 5.496
146 HG21 THR 23 3HG2 THR 23 -8.847 -2.431 7.627
147 HG22 THR 23 1HG2 THR 23 -10.339 -1.678 7.065
148 HG23 THR 23 2HG2 THR 23 -8.779 -0.992 6.609
149 H GLN 24 H GLN 24 -7.788 0.079 3.302
150 HA GLN 24 HA GLN 24 -10.245 1.296 2.631
151 HB2 GLN 24 1HB GLN 24 -10.549 1.669 4.977
152 HB3 GLN 24 2HB GLN 24 -8.902 2.258 5.156
153 HG2 GLN 24 1HG GLN 24 -9.392 4.312 4.311
154 HG3 GLN 24 2HG GLN 24 -10.691 3.704 3.287
155 HE21 GLN 24 1HE2 GLN 24 -12.401 2.516 4.884
156 HE22 GLN 24 2HE2 GLN 24 -13.004 3.581 6.102
157 H ASN 25 H ASN 25 -9.604 2.190 0.787
158 HA ASN 25 HA ASN 25 -7.193 2.782 -0.183
159 HB2 ASN 25 1HB ASN 25 -8.193 4.169 -1.758
160 HB3 ASN 25 2HB ASN 25 -9.565 3.227 -1.181
161 HD21 ASN 25 1HD2 ASN 25 -11.203 4.226 -0.130
162 HD22 ASN 25 2HD2 ASN 25 -11.294 5.934 0.113
163 H SER 26 H SER 26 -8.982 4.850 2.052
164 HA SER 26 HA SER 26 -7.353 7.095 2.032
165 HB2 SER 26 1HB SER 26 -9.591 6.597 3.302
166 HB3 SER 26 2HB SER 26 -8.519 6.108 4.614
167 HG SER 26 HG SER 26 -8.690 8.204 4.999
168 H HIS 27 H HIS 27 -7.258 4.600 4.579
169 HA HIS 27 HA HIS 27 -4.949 5.300 5.833
170 HB2 HIS 27 1HB HIS 27 -5.618 2.419 5.231
171 HB3 HIS 27 2HB HIS 27 -4.781 3.061 6.642
172 HD1 HIS 27 HD1 HIS 27 -7.323 1.290 6.877
173 HD2 HIS 27 HD2 HIS 27 -7.311 5.444 6.940
174 HE1 HIS 27 HE1 HIS 27 -9.433 1.950 8.075
175 H LEU 28 H LEU 28 -5.264 3.754 2.721
176 HA LEU 28 HA LEU 28 -2.510 3.007 2.493
177 HB2 LEU 28 1HB LEU 28 -3.923 1.722 1.179
178 HB3 LEU 28 2HB LEU 28 -4.843 3.121 0.628
179 HG LEU 28 HG LEU 28 -2.886 3.788 -0.758
180 HD11 LEU 28 1HD1 LEU 28 -1.673 1.604 0.703
181 HD12 LEU 28 2HD1 LEU 28 -0.921 2.877 -0.258
182 HD13 LEU 28 3HD1 LEU 28 -1.501 1.407 -1.041
183 HD21 LEU 28 3HD2 LEU 28 -4.852 2.348 -1.526
184 HD22 LEU 28 1HD2 LEU 28 -3.733 0.987 -1.431
185 HD23 LEU 28 2HD2 LEU 28 -3.395 2.332 -2.521
186 H ALA 29 H ALA 29 -4.418 5.372 0.620
187 HA ALA 29 HA ALA 29 -2.467 6.694 -0.701
188 HB1 ALA 29 3HB ALA 29 -4.631 8.250 0.678
189 HB2 ALA 29 1HB ALA 29 -3.902 8.531 -0.904
190 HB3 ALA 29 2HB ALA 29 -4.980 7.156 -0.660
191 H ARG 30 H ARG 30 -3.279 7.082 2.709
192 HA ARG 30 HA ARG 30 -1.470 9.259 3.135
193 HB2 ARG 30 1HB ARG 30 -1.978 8.968 5.496
194 HB3 ARG 30 2HB ARG 30 -3.457 8.910 4.547
195 HG2 ARG 30 1HG ARG 30 -3.553 6.518 4.742
196 HG3 ARG 30 2HG ARG 30 -1.980 6.484 5.542
197 HD2 ARG 30 1HD ARG 30 -4.490 7.780 6.601
198 HD3 ARG 30 2HD ARG 30 -3.796 6.257 7.156
199 HE ARG 30 HE ARG 30 -2.180 7.434 8.312
200 HH11 ARG 30 1HH1 ARG 30 -4.014 9.582 6.276
201 HH12 ARG 30 2HH1 ARG 30 -3.380 11.022 7.002
202 HH21 ARG 30 1HH2 ARG 30 -1.338 9.323 9.275
203 HH22 ARG 30 2HH2 ARG 30 -1.857 10.873 8.707
204 H HIS 31 H HIS 31 -1.303 5.772 3.380
205 HA HIS 31 HA HIS 31 1.091 5.606 4.873
206 HB2 HIS 31 1HB HIS 31 -0.013 3.586 4.845
207 HB3 HIS 31 2HB HIS 31 -0.480 3.742 3.155
208 HD1 HIS 31 HD1 HIS 31 2.518 2.860 5.283
209 HD2 HIS 31 HD2 HIS 31 1.166 2.464 1.374
210 HE1 HIS 31 HE1 HIS 31 4.172 1.342 4.150
211 H ARG 32 H ARG 32 0.475 5.452 1.372
212 HA ARG 32 HA ARG 32 2.974 4.996 0.393
213 HB2 ARG 32 1HB ARG 32 0.841 6.866 -0.632
214 HB3 ARG 32 2HB ARG 32 2.306 6.510 -1.537
215 HG2 ARG 32 1HG ARG 32 1.684 4.332 -1.952
216 HG3 ARG 32 2HG ARG 32 0.592 4.270 -0.567
217 HD2 ARG 32 1HD ARG 32 -0.923 4.423 -2.277
218 HD3 ARG 32 2HD ARG 32 -0.689 6.131 -1.909
219 HE ARG 32 HE ARG 32 0.206 6.399 -3.988
220 HH11 ARG 32 1HH1 ARG 32 0.347 3.025 -3.143
221 HH12 ARG 32 2HH1 ARG 32 0.927 2.526 -4.697
222 HH21 ARG 32 1HH2 ARG 32 0.970 5.755 -6.038
223 HH22 ARG 32 2HH2 ARG 32 1.283 4.079 -6.343
224 H GLY 33 H GLY 33 1.893 7.794 2.098
225 HA2 GLY 33 1HA GLY 33 3.666 9.748 1.215
226 HA3 GLY 33 2HA GLY 33 3.009 9.656 2.842
227 H ILE 34 H ILE 34 4.150 7.259 3.695
228 HA ILE 34 HA ILE 34 6.582 8.063 4.714
229 HB ILE 34 HB ILE 34 6.943 5.843 5.453
230 HG12 ILE 34 1HG1 ILE 34 4.963 4.903 3.368
231 HG13 ILE 34 2HG1 ILE 34 6.712 4.779 3.211
232 HG21 ILE 34 1HG2 ILE 34 4.916 5.333 6.537
233 HG22 ILE 34 2HG2 ILE 34 4.881 7.075 6.270
234 HG23 ILE 34 3HG2 ILE 34 3.952 6.003 5.222
235 HD11 ILE 34 3HD1 ILE 34 6.289 2.704 3.989
236 HD12 ILE 34 1HD1 ILE 34 6.426 3.531 5.540
237 HD13 ILE 34 2HD1 ILE 34 4.835 3.202 4.854
238 H HIS 35 H HIS 35 5.871 6.870 1.573
239 HA HIS 35 HA HIS 35 8.664 6.235 1.005
240 HB2 HIS 35 1HB HIS 35 6.238 6.051 -0.793
241 HB3 HIS 35 2HB HIS 35 7.846 5.434 -1.157
242 HD1 HIS 35 HD1 HIS 35 8.627 3.763 1.105
243 HD2 HIS 35 HD2 HIS 35 4.665 3.971 -0.130
244 HE1 HIS 35 HE1 HIS 35 7.540 1.669 1.975
245 H THR 36 H THR 36 6.117 8.454 -0.074
246 HA THR 36 HA THR 36 8.212 10.131 -1.297
247 HB THR 36 HB THR 36 6.788 9.365 -3.054
248 HG1 THR 36 HG1 THR 36 7.194 11.814 -2.641
249 HG21 THR 36 3HG2 THR 36 4.663 8.791 -2.713
250 HG22 THR 36 1HG2 THR 36 4.249 10.464 -2.339
251 HG23 THR 36 2HG2 THR 36 4.785 9.380 -1.055
252 H GLY 37 H GLY 37 8.619 11.867 -0.098
253 HA2 GLY 37 1HA GLY 37 6.923 13.920 0.466
254 HA3 GLY 37 2HA GLY 37 6.729 12.844 1.842
255 H GLU 38 H GLU 38 9.189 11.949 2.389
256 HA GLU 38 HA GLU 38 10.818 14.376 2.748
257 HB2 GLU 38 1HB GLU 38 11.458 13.500 4.984
258 HB3 GLU 38 2HB GLU 38 9.752 13.904 4.858
259 HG2 GLU 38 1HG GLU 38 9.116 11.640 4.764
260 HG3 GLU 38 2HG GLU 38 10.772 11.109 4.474
261 H LYS 39 H LYS 39 11.029 12.307 0.724
262 HA LYS 39 HA LYS 39 12.732 10.271 0.965
263 HB2 LYS 39 1HB LYS 39 13.014 12.467 -1.095
264 HB3 LYS 39 2HB LYS 39 13.706 10.856 -1.231
265 HG2 LYS 39 1HG LYS 39 10.780 11.086 -0.785
266 HG3 LYS 39 2HG LYS 39 11.420 11.492 -2.379
267 HD2 LYS 39 1HD LYS 39 12.249 8.947 -1.046
268 HD3 LYS 39 2HD LYS 39 10.681 9.045 -1.851
269 HE2 LYS 39 1HE LYS 39 12.163 10.078 -3.790
270 HE3 LYS 39 2HE LYS 39 13.423 9.137 -2.996
271 HZ1 LYS 39 3HZ LYS 39 12.661 7.446 -4.203
272 HZ2 LYS 39 1HZ LYS 39 11.230 8.249 -4.614
273 HZ3 LYS 39 2HZ LYS 39 11.337 7.407 -3.151
274 HA PRO 40 HA PRO 40 16.463 11.605 2.882
275 HB2 PRO 40 1HB PRO 40 18.128 9.651 1.998
276 HB3 PRO 40 2HB PRO 40 16.900 9.378 3.239
277 HG2 PRO 40 1HG PRO 40 16.806 8.755 0.313
278 HG3 PRO 40 2HG PRO 40 16.270 7.767 1.685
279 HD2 PRO 40 1HD PRO 40 14.551 9.205 0.165
280 HD3 PRO 40 2HD PRO 40 14.282 8.914 1.896
281 H SER 41 H SER 41 16.791 10.576 -0.516
282 HA SER 41 HA SER 41 18.231 13.031 -1.113
283 HB2 SER 41 1HB SER 41 19.473 10.325 -1.105
284 HB3 SER 41 2HB SER 41 19.895 11.405 -2.434
285 HG SER 41 HG SER 41 20.537 12.947 -0.877
286 H GLY 42 H GLY 42 18.799 13.047 -3.556
287 HA2 GLY 42 1HA GLY 42 18.188 12.204 -5.752
288 HA3 GLY 42 2HA GLY 42 16.657 11.685 -5.062
289 HA PRO 43 HA PRO 43 16.556 16.519 -5.589
290 HB2 PRO 43 1HB PRO 43 18.337 17.498 -7.389
291 HB3 PRO 43 2HB PRO 43 18.688 17.373 -5.661
292 HG2 PRO 43 1HG PRO 43 19.484 15.544 -7.894
293 HG3 PRO 43 2HG PRO 43 20.450 16.125 -6.525
294 HD2 PRO 43 1HD PRO 43 19.325 13.663 -6.572
295 HD3 PRO 43 2HD PRO 43 19.547 14.582 -5.070
296 H SER 44 H SER 44 14.672 15.600 -6.637
297 HA SER 44 HA SER 44 14.753 15.199 -9.502
298 HB2 SER 44 1HB SER 44 13.324 13.816 -7.958
299 HB3 SER 44 2HB SER 44 12.327 15.247 -7.696
300 HG SER 44 HG SER 44 11.312 14.541 -9.399
301 H SER 45 H SER 45 14.882 16.953 -10.743
302 HA SER 45 HA SER 45 14.446 18.988 -11.662
303 HB2 SER 45 1HB SER 45 11.826 18.230 -10.434
304 HB3 SER 45 2HB SER 45 12.019 19.857 -11.086
305 HG SER 45 HG SER 45 12.521 17.452 -12.510
306 H GLY 46 H GLY 46 15.915 19.028 -9.297
307 HA2 GLY 46 1HA GLY 46 16.749 20.597 -7.836
308 HA3 GLY 46 2HA GLY 46 15.636 21.757 -8.546
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -2.728 -32.842 14.716
2 HA2 GLY 1 1HA GLY 1 -5.129 -32.547 13.066
3 HA3 GLY 1 2HA GLY 1 -5.298 -32.303 14.798
4 H SER 2 H SER 2 -5.485 -30.515 12.332
5 HA SER 2 HA SER 2 -4.334 -28.202 13.570
6 HB2 SER 2 1HB SER 2 -2.827 -27.570 11.755
7 HB3 SER 2 2HB SER 2 -2.346 -29.132 12.418
8 HG SER 2 HG SER 2 -4.008 -28.863 10.140
9 H SER 3 H SER 3 -5.640 -26.542 13.180
10 HA SER 3 HA SER 3 -6.757 -25.942 10.650
11 HB2 SER 3 1HB SER 3 -8.169 -27.928 11.409
12 HB3 SER 3 2HB SER 3 -8.806 -26.867 12.665
13 HG SER 3 HG SER 3 -9.681 -27.072 10.230
14 H GLY 4 H GLY 4 -8.574 -24.211 10.940
15 HA2 GLY 4 1HA GLY 4 -9.409 -22.603 12.696
16 HA3 GLY 4 2HA GLY 4 -7.718 -22.451 13.152
17 H SER 5 H SER 5 -9.617 -22.315 10.133
18 HA SER 5 HA SER 5 -8.625 -19.628 9.638
19 HB2 SER 5 1HB SER 5 -6.988 -21.357 8.652
20 HB3 SER 5 2HB SER 5 -8.261 -21.699 7.480
21 HG SER 5 HG SER 5 -6.842 -19.293 7.894
22 H SER 6 H SER 6 -9.765 -18.532 7.934
23 HA SER 6 HA SER 6 -12.133 -19.843 6.859
24 HB2 SER 6 1HB SER 6 -12.956 -18.977 8.975
25 HB3 SER 6 2HB SER 6 -12.277 -17.388 8.626
26 HG SER 6 HG SER 6 -14.040 -16.959 7.590
27 H GLY 7 H GLY 7 -13.158 -18.634 5.150
28 HA2 GLY 7 1HA GLY 7 -11.218 -17.063 3.661
29 HA3 GLY 7 2HA GLY 7 -12.753 -17.672 3.059
30 H THR 8 H THR 8 -12.175 -15.721 5.953
31 HA THR 8 HA THR 8 -13.933 -13.661 4.798
32 HB THR 8 HB THR 8 -14.263 -12.933 7.190
33 HG1 THR 8 HG1 THR 8 -13.294 -14.008 8.751
34 HG21 THR 8 3HG2 THR 8 -16.124 -14.064 6.550
35 HG22 THR 8 1HG2 THR 8 -15.524 -15.250 7.709
36 HG23 THR 8 2HG2 THR 8 -15.211 -15.464 5.987
37 H GLY 9 H GLY 9 -12.610 -12.206 3.840
38 HA2 GLY 9 1HA GLY 9 -11.467 -10.096 4.750
39 HA3 GLY 9 2HA GLY 9 -10.286 -11.239 5.373
40 H GLU 10 H GLU 10 -10.403 -9.012 3.204
41 HA GLU 10 HA GLU 10 -8.840 -10.541 1.244
42 HB2 GLU 10 1HB GLU 10 -10.883 -8.421 0.557
43 HB3 GLU 10 2HB GLU 10 -9.823 -9.230 -0.588
44 HG2 GLU 10 1HG GLU 10 -11.722 -10.779 1.129
45 HG3 GLU 10 2HG GLU 10 -12.244 -10.036 -0.382
46 H LYS 11 H LYS 11 -7.659 -8.921 -0.270
47 HA LYS 11 HA LYS 11 -6.720 -6.614 1.296
48 HB2 LYS 11 1HB LYS 11 -4.419 -7.095 0.439
49 HB3 LYS 11 2HB LYS 11 -5.034 -8.296 1.566
50 HG2 LYS 11 1HG LYS 11 -5.780 -9.533 -0.608
51 HG3 LYS 11 2HG LYS 11 -4.551 -8.518 -1.366
52 HD2 LYS 11 1HD LYS 11 -3.304 -10.368 -0.810
53 HD3 LYS 11 2HD LYS 11 -3.068 -9.366 0.625
54 HE2 LYS 11 1HE LYS 11 -3.628 -11.329 1.636
55 HE3 LYS 11 2HE LYS 11 -5.241 -10.651 1.425
56 HZ1 LYS 11 3HZ LYS 11 -4.024 -12.438 -0.593
57 HZ2 LYS 11 1HZ LYS 11 -5.654 -12.028 -0.400
58 HZ3 LYS 11 2HZ LYS 11 -4.899 -13.043 0.722
59 HA PRO 12 HA PRO 12 -7.937 -5.441 -3.055
60 HB2 PRO 12 1HB PRO 12 -9.538 -3.375 -2.320
61 HB3 PRO 12 2HB PRO 12 -10.120 -5.038 -2.459
62 HG2 PRO 12 1HG PRO 12 -9.308 -3.513 -0.014
63 HG3 PRO 12 2HG PRO 12 -10.697 -4.590 -0.252
64 HD2 PRO 12 1HD PRO 12 -8.437 -5.383 1.012
65 HD3 PRO 12 2HD PRO 12 -9.432 -6.493 0.048
66 H TYR 13 H TYR 13 -6.465 -3.979 -0.335
67 HA TYR 13 HA TYR 13 -5.269 -1.932 -2.079
68 HB2 TYR 13 1HB TYR 13 -5.912 -1.503 0.841
69 HB3 TYR 13 2HB TYR 13 -5.323 -0.309 -0.311
70 HD1 TYR 13 HD1 TYR 13 -6.828 0.542 -2.087
71 HD2 TYR 13 HD2 TYR 13 -8.233 -2.047 0.983
72 HE1 TYR 13 HE1 TYR 13 -9.144 1.178 -2.618
73 HE2 TYR 13 HE2 TYR 13 -10.552 -1.420 0.459
74 HH TYR 13 HH TYR 13 -11.714 -0.450 -1.873
75 H LYS 14 H LYS 14 -3.258 -2.654 -2.383
76 HA LYS 14 HA LYS 14 -1.648 -3.259 -0.000
77 HB2 LYS 14 1HB LYS 14 -1.976 -5.417 -0.834
78 HB3 LYS 14 2HB LYS 14 -1.923 -4.882 -2.509
79 HG2 LYS 14 1HG LYS 14 0.370 -4.836 -2.567
80 HG3 LYS 14 2HG LYS 14 0.518 -4.609 -0.823
81 HD2 LYS 14 1HD LYS 14 -0.294 -6.936 -0.507
82 HD3 LYS 14 2HD LYS 14 -0.275 -7.141 -2.261
83 HE2 LYS 14 1HE LYS 14 2.122 -6.699 -2.296
84 HE3 LYS 14 2HE LYS 14 2.112 -6.446 -0.551
85 HZ1 LYS 14 3HZ LYS 14 2.867 -8.685 -1.253
86 HZ2 LYS 14 1HZ LYS 14 1.315 -8.989 -1.855
87 HZ3 LYS 14 2HZ LYS 14 1.543 -8.718 -0.201
88 H CYS 15 H CYS 15 0.010 -1.910 0.130
89 HA CYS 15 HA CYS 15 0.714 -0.076 -1.867
90 HB2 CYS 15 1HB CYS 15 1.245 0.492 0.372
91 HB3 CYS 15 2HB CYS 15 2.129 -1.009 0.625
92 H ASN 16 H ASN 16 2.673 0.114 -3.087
93 HA ASN 16 HA ASN 16 3.706 -2.501 -3.939
94 HB2 ASN 16 1HB ASN 16 2.598 -1.104 -5.667
95 HB3 ASN 16 2HB ASN 16 3.807 0.148 -5.399
96 HD21 ASN 16 1HD2 ASN 16 5.006 0.175 -7.168
97 HD22 ASN 16 2HD2 ASN 16 5.765 -1.199 -7.891
98 H GLU 17 H GLU 17 4.645 0.662 -2.770
99 HA GLU 17 HA GLU 17 7.372 0.628 -3.255
100 HB2 GLU 17 1HB GLU 17 5.763 1.795 -0.992
101 HB3 GLU 17 2HB GLU 17 7.504 2.011 -1.100
102 HG2 GLU 17 1HG GLU 17 5.430 2.939 -3.069
103 HG3 GLU 17 2HG GLU 17 6.433 3.936 -2.018
104 H CYS 18 H CYS 18 5.741 -0.429 -0.261
105 HA CYS 18 HA CYS 18 8.117 -2.046 0.366
106 HB2 CYS 18 1HB CYS 18 7.288 -2.046 2.689
107 HB3 CYS 18 2HB CYS 18 7.542 -0.412 2.084
108 H GLY 19 H GLY 19 4.570 -2.145 0.297
109 HA2 GLY 19 1HA GLY 19 3.598 -4.155 -0.763
110 HA3 GLY 19 2HA GLY 19 4.767 -5.092 0.155
111 H LYS 20 H LYS 20 3.165 -2.371 1.605
112 HA LYS 20 HA LYS 20 2.089 -4.026 3.680
113 HB2 LYS 20 1HB LYS 20 2.932 -1.523 3.724
114 HB3 LYS 20 2HB LYS 20 1.254 -1.178 3.324
115 HG2 LYS 20 1HG LYS 20 0.473 -1.930 5.348
116 HG3 LYS 20 2HG LYS 20 1.863 -2.985 5.614
117 HD2 LYS 20 1HD LYS 20 3.228 -1.219 6.287
118 HD3 LYS 20 2HD LYS 20 2.187 -0.006 5.538
119 HE2 LYS 20 1HE LYS 20 1.658 0.269 7.758
120 HE3 LYS 20 2HE LYS 20 0.426 -0.889 7.259
121 HZ1 LYS 20 3HZ LYS 20 2.015 -1.221 9.376
122 HZ2 LYS 20 1HZ LYS 20 2.906 -2.051 8.202
123 HZ3 LYS 20 2HZ LYS 20 1.308 -2.500 8.524
124 H VAL 21 H VAL 21 -0.244 -3.725 4.377
125 HA VAL 21 HA VAL 21 -2.050 -3.585 2.061
126 HB VAL 21 HB VAL 21 -2.083 -5.726 4.192
127 HG11 VAL 21 1HG1 VAL 21 -4.139 -4.761 2.320
128 HG12 VAL 21 2HG1 VAL 21 -3.920 -6.511 2.373
129 HG13 VAL 21 3HG1 VAL 21 -4.308 -5.624 3.848
130 HG21 VAL 21 3HG2 VAL 21 -0.409 -5.937 2.321
131 HG22 VAL 21 1HG2 VAL 21 -1.558 -7.268 2.465
132 HG23 VAL 21 2HG2 VAL 21 -1.777 -6.045 1.213
133 H PHE 22 H PHE 22 -4.070 -2.744 2.449
134 HA PHE 22 HA PHE 22 -4.735 -1.988 5.202
135 HB2 PHE 22 1HB PHE 22 -4.825 -0.090 2.848
136 HB3 PHE 22 2HB PHE 22 -5.360 0.274 4.485
137 HD1 PHE 22 HD2 PHE 22 -2.473 -0.227 2.304
138 HD2 PHE 22 HD1 PHE 22 -3.770 0.672 6.257
139 HE1 PHE 22 HE2 PHE 22 -0.204 0.535 2.871
140 HE2 PHE 22 HE1 PHE 22 -1.502 1.437 6.830
141 HZ PHE 22 HZ PHE 22 0.284 1.368 5.137
142 H THR 23 H THR 23 -7.039 -0.978 5.207
143 HA THR 23 HA THR 23 -8.741 -2.766 3.612
144 HB THR 23 HB THR 23 -10.481 -2.380 5.297
145 HG1 THR 23 HG1 THR 23 -10.298 -0.759 6.637
146 HG21 THR 23 3HG2 THR 23 -7.833 -3.494 5.964
147 HG22 THR 23 1HG2 THR 23 -9.426 -4.246 6.024
148 HG23 THR 23 2HG2 THR 23 -8.900 -3.189 7.334
149 H GLN 24 H GLN 24 -8.261 0.596 4.533
150 HA GLN 24 HA GLN 24 -10.296 1.373 2.549
151 HB2 GLN 24 1HB GLN 24 -10.747 2.026 4.935
152 HB3 GLN 24 2HB GLN 24 -9.312 3.040 4.867
153 HG2 GLN 24 1HG GLN 24 -11.303 4.361 4.518
154 HG3 GLN 24 2HG GLN 24 -10.315 4.339 3.058
155 HE21 GLN 24 1HE2 GLN 24 -13.382 3.985 4.273
156 HE22 GLN 24 2HE2 GLN 24 -14.121 3.194 2.927
157 H ASN 25 H ASN 25 -9.636 2.465 0.814
158 HA ASN 25 HA ASN 25 -7.137 2.725 -0.106
159 HB2 ASN 25 1HB ASN 25 -7.917 4.230 -1.696
160 HB3 ASN 25 2HB ASN 25 -9.412 3.475 -1.151
161 HD21 ASN 25 1HD2 ASN 25 -7.364 6.305 -0.817
162 HD22 ASN 25 2HD2 ASN 25 -8.615 7.380 -0.302
163 H SER 26 H SER 26 -8.752 5.240 1.830
164 HA SER 26 HA SER 26 -6.821 7.158 1.935
165 HB2 SER 26 1HB SER 26 -9.000 7.393 3.036
166 HB3 SER 26 2HB SER 26 -8.522 6.211 4.255
167 HG SER 26 HG SER 26 -7.566 7.759 5.285
168 H HIS 27 H HIS 27 -7.101 4.505 4.306
169 HA HIS 27 HA HIS 27 -4.838 4.947 5.776
170 HB2 HIS 27 1HB HIS 27 -5.757 2.200 4.916
171 HB3 HIS 27 2HB HIS 27 -4.876 2.618 6.383
172 HD1 HIS 27 HD1 HIS 27 -7.564 1.122 6.518
173 HD2 HIS 27 HD2 HIS 27 -7.167 5.248 6.801
174 HE1 HIS 27 HE1 HIS 27 -9.616 1.913 7.739
175 H LEU 28 H LEU 28 -5.075 3.593 2.561
176 HA LEU 28 HA LEU 28 -2.306 2.778 2.485
177 HB2 LEU 28 1HB LEU 28 -3.678 1.422 1.189
178 HB3 LEU 28 2HB LEU 28 -4.568 2.792 0.527
179 HG LEU 28 HG LEU 28 -2.518 3.387 -0.779
180 HD11 LEU 28 1HD1 LEU 28 -1.206 0.951 -0.924
181 HD12 LEU 28 2HD1 LEU 28 -1.443 1.217 0.803
182 HD13 LEU 28 3HD1 LEU 28 -0.608 2.428 -0.169
183 HD21 LEU 28 3HD2 LEU 28 -4.355 2.218 -1.832
184 HD22 LEU 28 1HD2 LEU 28 -3.741 0.671 -1.250
185 HD23 LEU 28 2HD2 LEU 28 -2.822 1.592 -2.441
186 H ALA 29 H ALA 29 -4.183 5.030 0.449
187 HA ALA 29 HA ALA 29 -2.214 6.326 -0.866
188 HB1 ALA 29 3HB ALA 29 -3.703 8.019 -1.297
189 HB2 ALA 29 1HB ALA 29 -4.799 6.746 -0.759
190 HB3 ALA 29 2HB ALA 29 -4.331 8.034 0.351
191 H ARG 30 H ARG 30 -3.334 7.187 2.403
192 HA ARG 30 HA ARG 30 -1.467 9.269 2.794
193 HB2 ARG 30 1HB ARG 30 -2.238 9.367 5.000
194 HB3 ARG 30 2HB ARG 30 -3.623 8.758 4.103
195 HG2 ARG 30 1HG ARG 30 -2.759 6.428 4.765
196 HG3 ARG 30 2HG ARG 30 -1.796 7.294 5.964
197 HD2 ARG 30 1HD ARG 30 -4.098 8.433 6.515
198 HD3 ARG 30 2HD ARG 30 -4.754 6.979 5.763
199 HE ARG 30 HE ARG 30 -4.042 5.747 7.573
200 HH11 ARG 30 1HH1 ARG 30 -2.686 8.950 7.712
201 HH12 ARG 30 2HH1 ARG 30 -2.096 8.771 9.331
202 HH21 ARG 30 1HH2 ARG 30 -3.269 5.499 9.704
203 HH22 ARG 30 2HH2 ARG 30 -2.427 6.807 10.463
204 H HIS 31 H HIS 31 -1.372 5.813 3.439
205 HA HIS 31 HA HIS 31 0.939 5.745 5.026
206 HB2 HIS 31 1HB HIS 31 -0.149 3.721 5.060
207 HB3 HIS 31 2HB HIS 31 -0.532 3.776 3.342
208 HD1 HIS 31 HD1 HIS 31 2.351 3.018 5.666
209 HD2 HIS 31 HD2 HIS 31 1.201 2.402 1.721
210 HE1 HIS 31 HE1 HIS 31 4.057 1.439 4.707
211 H ARG 32 H ARG 32 0.545 5.445 1.508
212 HA ARG 32 HA ARG 32 3.165 4.950 0.791
213 HB2 ARG 32 1HB ARG 32 1.140 6.650 -0.676
214 HB3 ARG 32 2HB ARG 32 2.606 5.983 -1.382
215 HG2 ARG 32 1HG ARG 32 1.750 3.708 -0.870
216 HG3 ARG 32 2HG ARG 32 0.240 4.448 -0.333
217 HD2 ARG 32 1HD ARG 32 0.091 3.646 -2.644
218 HD3 ARG 32 2HD ARG 32 -0.104 5.396 -2.544
219 HE ARG 32 HE ARG 32 1.787 5.635 -3.803
220 HH11 ARG 32 1HH1 ARG 32 1.700 2.408 -2.499
221 HH12 ARG 32 2HH1 ARG 32 3.074 1.865 -3.404
222 HH21 ARG 32 1HH2 ARG 32 3.597 4.932 -4.999
223 HH22 ARG 32 2HH2 ARG 32 4.153 3.302 -4.825
224 H GLY 33 H GLY 33 1.848 7.767 2.198
225 HA2 GLY 33 1HA GLY 33 3.516 9.769 1.167
226 HA3 GLY 33 2HA GLY 33 2.760 9.798 2.753
227 H ILE 34 H ILE 34 4.181 7.232 3.436
228 HA ILE 34 HA ILE 34 6.433 8.414 4.691
229 HB ILE 34 HB ILE 34 6.916 6.269 5.592
230 HG12 ILE 34 1HG1 ILE 34 5.058 5.093 3.514
231 HG13 ILE 34 2HG1 ILE 34 6.816 5.023 3.450
232 HG21 ILE 34 1HG2 ILE 34 4.473 5.458 6.131
233 HG22 ILE 34 2HG2 ILE 34 5.082 6.990 6.755
234 HG23 ILE 34 3HG2 ILE 34 4.036 6.970 5.335
235 HD11 ILE 34 3HD1 ILE 34 6.654 3.855 5.721
236 HD12 ILE 34 1HD1 ILE 34 4.949 3.635 5.329
237 HD13 ILE 34 2HD1 ILE 34 6.191 2.949 4.281
238 H HIS 35 H HIS 35 5.978 6.642 1.719
239 HA HIS 35 HA HIS 35 8.810 6.239 1.294
240 HB2 HIS 35 1HB HIS 35 6.522 5.844 -0.645
241 HB3 HIS 35 2HB HIS 35 8.160 5.219 -0.811
242 HD1 HIS 35 HD1 HIS 35 8.789 3.692 1.541
243 HD2 HIS 35 HD2 HIS 35 4.871 3.885 0.175
244 HE1 HIS 35 HE1 HIS 35 7.634 1.688 2.528
245 H THR 36 H THR 36 6.319 8.487 0.310
246 HA THR 36 HA THR 36 7.956 9.749 -1.703
247 HB THR 36 HB THR 36 6.135 11.378 -1.901
248 HG1 THR 36 HG1 THR 36 4.207 10.823 -0.537
249 HG21 THR 36 3HG2 THR 36 5.213 8.508 -1.744
250 HG22 THR 36 1HG2 THR 36 5.906 9.318 -3.148
251 HG23 THR 36 2HG2 THR 36 4.324 9.807 -2.539
252 H GLY 37 H GLY 37 9.809 10.320 -0.450
253 HA2 GLY 37 1HA GLY 37 10.487 12.707 0.174
254 HA3 GLY 37 2HA GLY 37 9.357 12.484 1.501
255 H GLU 38 H GLU 38 11.481 9.975 0.262
256 HA GLU 38 HA GLU 38 13.104 10.198 2.707
257 HB2 GLU 38 1HB GLU 38 11.362 8.334 2.747
258 HB3 GLU 38 2HB GLU 38 12.308 7.562 1.482
259 HG2 GLU 38 1HG GLU 38 14.139 7.224 2.899
260 HG3 GLU 38 2HG GLU 38 13.532 8.368 4.096
261 H LYS 39 H LYS 39 14.729 11.242 1.501
262 HA LYS 39 HA LYS 39 16.089 9.544 -0.486
263 HB2 LYS 39 1HB LYS 39 17.214 11.835 -1.053
264 HB3 LYS 39 2HB LYS 39 15.602 11.477 -1.657
265 HG2 LYS 39 1HG LYS 39 14.580 12.889 -0.092
266 HG3 LYS 39 2HG LYS 39 16.033 12.973 0.907
267 HD2 LYS 39 1HD LYS 39 16.159 14.997 -0.159
268 HD3 LYS 39 2HD LYS 39 17.071 13.996 -1.292
269 HE2 LYS 39 1HE LYS 39 15.604 15.205 -2.650
270 HE3 LYS 39 2HE LYS 39 14.830 13.631 -2.478
271 HZ1 LYS 39 3HZ LYS 39 13.770 14.953 -0.419
272 HZ2 LYS 39 1HZ LYS 39 13.057 14.878 -1.951
273 HZ3 LYS 39 2HZ LYS 39 13.978 16.227 -1.512
274 HA PRO 40 HA PRO 40 18.940 9.412 3.074
275 HB2 PRO 40 1HB PRO 40 20.035 7.030 2.367
276 HB3 PRO 40 2HB PRO 40 18.520 7.161 3.268
277 HG2 PRO 40 1HG PRO 40 18.950 6.696 0.342
278 HG3 PRO 40 2HG PRO 40 17.799 5.914 1.442
279 HD2 PRO 40 1HD PRO 40 17.078 7.902 -0.250
280 HD3 PRO 40 2HD PRO 40 16.311 7.671 1.335
281 H SER 41 H SER 41 19.692 8.522 -0.290
282 HA SER 41 HA SER 41 22.111 10.171 -0.118
283 HB2 SER 41 1HB SER 41 21.969 7.291 -0.996
284 HB3 SER 41 2HB SER 41 23.267 8.359 -1.528
285 HG SER 41 HG SER 41 22.922 8.568 1.131
286 H GLY 42 H GLY 42 22.590 11.305 -1.944
287 HA2 GLY 42 1HA GLY 42 20.661 11.035 -4.158
288 HA3 GLY 42 2HA GLY 42 21.495 12.520 -3.725
289 HA PRO 43 HA PRO 43 23.676 10.382 -7.283
290 HB2 PRO 43 1HB PRO 43 23.487 12.459 -9.020
291 HB3 PRO 43 2HB PRO 43 22.245 11.211 -8.877
292 HG2 PRO 43 1HG PRO 43 22.311 13.961 -7.696
293 HG3 PRO 43 2HG PRO 43 20.962 13.107 -8.469
294 HD2 PRO 43 1HD PRO 43 21.217 13.296 -5.780
295 HD3 PRO 43 2HD PRO 43 20.483 11.888 -6.573
296 H SER 44 H SER 44 25.826 10.618 -7.624
297 HA SER 44 HA SER 44 27.459 12.073 -6.008
298 HB2 SER 44 1HB SER 44 27.966 10.269 -7.880
299 HB3 SER 44 2HB SER 44 28.357 11.699 -8.835
300 HG SER 44 HG SER 44 29.773 12.298 -7.064
301 H SER 45 H SER 45 28.906 13.905 -6.480
302 HA SER 45 HA SER 45 27.390 16.069 -7.737
303 HB2 SER 45 1HB SER 45 29.803 16.158 -5.910
304 HB3 SER 45 2HB SER 45 28.944 17.568 -6.527
305 HG SER 45 HG SER 45 27.430 15.627 -5.229
306 H GLY 46 H GLY 46 27.972 16.960 -9.611
307 HA2 GLY 46 1HA GLY 46 30.688 16.384 -10.626
308 HA3 GLY 46 2HA GLY 46 29.265 16.332 -11.656