Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612119 | 5wuz RC | 36040 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 HT1 GLN 1 -2.303 -0.497 10.322
2 H2 GLN 1 HT2 GLN 1 -2.949 -2.053 10.169
3 H3 GLN 1 HT3 GLN 1 -3.774 -0.880 11.064
4 HA GLN 1 HA GLN 1 -3.267 -0.783 8.149
5 HB2 GLN 1 HB2 GLN 1 -5.724 -1.470 9.761
6 HB3 GLN 1 HB1 GLN 1 -5.811 -0.977 8.076
7 HG2 GLN 1 HG2 GLN 1 -4.428 -2.877 7.437
8 HG3 GLN 1 HG1 GLN 1 -4.307 -3.364 9.127
9 HE21 GLN 1 HE21 GLN 1 -6.102 -4.248 10.153
10 HE22 GLN 1 HE22 GLN 1 -7.458 -4.854 9.270
11 H ASN 2 HN ASN 2 -3.729 1.090 7.146
12 HA ASN 2 HA ASN 2 -4.960 3.259 8.700
13 HB2 ASN 2 HB2 ASN 2 -2.227 3.146 7.821
14 HB3 ASN 2 HB1 ASN 2 -3.048 4.443 6.959
15 HD21 ASN 2 HD21 ASN 2 -2.087 3.229 10.081
16 HD22 ASN 2 HD22 ASN 2 -2.306 4.708 10.946
17 H CYS 3 HN CYS 3 -4.647 1.586 5.716
18 HA CYS 3 HA CYS 3 -6.858 2.894 4.526
19 HB2 CYS 3 HB2 CYS 3 -5.711 4.719 3.782
20 HB3 CYS 3 HB1 CYS 3 -4.158 3.926 3.937
21 H GLY 4 HN GLY 4 -6.786 2.297 1.974
22 HA2 GLY 4 HA2 GLY 4 -5.866 0.554 0.462
23 HA3 GLY 4 HA1 GLY 4 -5.985 -0.539 1.826
24 H ARG 5 HN ARG 5 -7.201 -1.787 0.158
25 HA ARG 5 HA ARG 5 -9.773 -0.905 -0.731
26 HB2 ARG 5 HB2 ARG 5 -8.853 -3.773 -0.625
27 HB3 ARG 5 HB1 ARG 5 -10.009 -3.046 -1.732
28 HG2 ARG 5 HG2 ARG 5 -8.086 -1.658 -2.609
29 HG3 ARG 5 HG1 ARG 5 -7.028 -2.722 -1.681
30 HD2 ARG 5 HD2 ARG 5 -7.073 -3.614 -3.868
31 HD3 ARG 5 HD1 ARG 5 -8.119 -4.654 -2.904
32 HE ARG 5 HE ARG 5 -9.690 -2.655 -4.085
33 HH11 ARG 5 HH11 ARG 5 -7.854 -5.484 -5.067
34 HH12 ARG 5 HH12 ARG 5 -8.845 -5.787 -6.454
35 HH21 ARG 5 HH21 ARG 5 -10.974 -3.071 -5.905
36 HH22 ARG 5 HH22 ARG 5 -10.610 -4.421 -6.928
37 H GLN 6 HN GLN 6 -8.717 -1.988 2.221
38 HA GLN 6 HA GLN 6 -11.241 -3.272 2.982
39 HB2 GLN 6 HB2 GLN 6 -8.537 -3.136 4.277
40 HB3 GLN 6 HB1 GLN 6 -9.952 -3.638 5.189
41 HG2 GLN 6 HG2 GLN 6 -10.328 -5.464 3.622
42 HG3 GLN 6 HG1 GLN 6 -8.929 -4.953 2.682
43 HE21 GLN 6 HE21 GLN 6 -6.863 -5.293 3.502
44 HE22 GLN 6 HE22 GLN 6 -6.560 -6.383 4.808
45 H ALA 7 HN ALA 7 -9.534 -0.310 3.389
46 HA ALA 7 HA ALA 7 -11.193 0.547 5.642
47 HB1 ALA 7 HB1 ALA 7 -8.951 2.011 4.256
48 HB2 ALA 7 HB2 ALA 7 -8.761 0.981 5.674
49 HB3 ALA 7 HB3 ALA 7 -9.718 2.459 5.779
50 H GLY 8 HN GLY 8 -11.782 0.335 2.499
51 HA2 GLY 8 HA2 GLY 8 -13.602 1.315 1.362
52 HA3 GLY 8 HA1 GLY 8 -13.526 2.684 2.462
53 H ASN 9 HN ASN 9 -10.566 1.608 1.158
54 HA ASN 9 HA ASN 9 -9.006 2.446 -0.215
55 HB2 ASN 9 HB2 ASN 9 -11.428 3.254 -1.844
56 HB3 ASN 9 HB1 ASN 9 -9.773 3.465 -2.408
57 HD21 ASN 9 HD21 ASN 9 -12.277 1.186 -1.641
58 HD22 ASN 9 HD22 ASN 9 -11.545 -0.184 -2.398
59 H ARG 10 HN ARG 10 -8.291 3.839 1.390
60 HA ARG 10 HA ARG 10 -8.909 6.693 0.979
61 HB2 ARG 10 HB2 ARG 10 -7.995 5.160 3.418
62 HB3 ARG 10 HB1 ARG 10 -7.867 6.910 3.324
63 HG2 ARG 10 HG2 ARG 10 -10.290 7.069 3.014
64 HG3 ARG 10 HG1 ARG 10 -10.413 5.312 3.124
65 HD2 ARG 10 HD2 ARG 10 -9.506 5.390 5.394
66 HD3 ARG 10 HD1 ARG 10 -9.372 7.145 5.283
67 HE ARG 10 HE ARG 10 -12.026 6.399 4.754
68 HH11 ARG 10 HH11 ARG 10 -9.797 6.508 7.465
69 HH12 ARG 10 HH12 ARG 10 -11.056 6.702 8.640
70 HH21 ARG 10 HH21 ARG 10 -13.239 6.783 7.984
71 HH22 ARG 10 HH22 ARG 10 -13.656 6.653 6.308
72 H ALA 11 HN ALA 11 -6.547 7.616 2.409
73 HA ALA 11 HA ALA 11 -4.291 6.556 0.885
74 HB1 ALA 11 HB1 ALA 11 -5.187 8.359 -0.510
75 HB2 ALA 11 HB2 ALA 11 -3.586 8.756 0.115
76 HB3 ALA 11 HB3 ALA 11 -5.020 9.483 0.839
77 H CYS 12 HN CYS 12 -2.319 6.753 1.908
78 HA CYS 12 HA CYS 12 -2.427 7.796 4.653
79 HB2 CYS 12 HB2 CYS 12 -0.544 5.834 3.333
80 HB3 CYS 12 HB1 CYS 12 -0.323 6.446 4.970
81 H ALA 13 HN ALA 13 -1.572 9.696 5.066
82 HA ALA 13 HA ALA 13 0.767 10.611 3.535
83 HB1 ALA 13 HB1 ALA 13 -1.232 11.677 2.618
84 HB2 ALA 13 HB2 ALA 13 -0.159 12.850 3.383
85 HB3 ALA 13 HB3 ALA 13 -1.619 12.317 4.216
86 H ASN 14 HN ASN 14 0.364 9.471 6.302
87 HA ASN 14 HA ASN 14 1.102 11.727 7.995
88 HB2 ASN 14 HB2 ASN 14 0.373 8.874 8.636
89 HB3 ASN 14 HB1 ASN 14 0.968 10.002 9.851
90 HD21 ASN 14 HD21 ASN 14 -0.321 11.734 10.478
91 HD22 ASN 14 HD22 ASN 14 -2.014 11.786 10.140
92 H GLN 15 HN GLN 15 2.323 8.431 8.230
93 HA GLN 15 HA GLN 15 5.053 9.309 7.658
94 HB2 GLN 15 HB2 GLN 15 4.163 8.094 10.270
95 HB3 GLN 15 HB1 GLN 15 5.833 8.024 9.728
96 HG2 GLN 15 HG2 GLN 15 5.925 10.463 9.678
97 HG3 GLN 15 HG1 GLN 15 4.248 10.536 10.215
98 HE21 GLN 15 HE21 GLN 15 3.741 9.988 12.337
99 HE22 GLN 15 HE22 GLN 15 4.944 9.897 13.573
100 H LEU 16 HN LEU 16 2.664 6.854 7.851
101 HA LEU 16 HA LEU 16 4.529 4.770 6.986
102 HB2 LEU 16 HB2 LEU 16 2.479 3.260 7.267
103 HB3 LEU 16 HB1 LEU 16 3.192 3.914 8.724
104 HG LEU 16 HG LEU 16 0.814 5.248 7.461
105 HD11 LEU 16 HD11 LEU 16 0.106 2.976 7.670
106 HD12 LEU 16 HD12 LEU 16 -0.587 3.889 9.013
107 HD13 LEU 16 HD13 LEU 16 0.810 2.853 9.283
108 HD21 LEU 16 HD21 LEU 16 0.373 5.987 9.729
109 HD22 LEU 16 HD22 LEU 16 2.032 6.395 9.296
110 HD23 LEU 16 HD23 LEU 16 1.709 5.011 10.339
111 H CYS 17 HN CYS 17 2.717 3.145 5.471
112 HA CYS 17 HA CYS 17 1.830 4.836 3.301
113 HB2 CYS 17 HB2 CYS 17 3.409 2.742 2.109
114 HB3 CYS 17 HB1 CYS 17 3.480 4.476 1.840
115 H CYS 18 HN CYS 18 0.324 4.192 2.104
116 HA CYS 18 HA CYS 18 -0.917 1.598 2.602
117 HB2 CYS 18 HB2 CYS 18 -2.245 3.642 2.941
118 HB3 CYS 18 HB1 CYS 18 -1.975 4.086 1.266
119 H SER 19 HN SER 19 -1.770 0.367 0.912
120 HA SER 19 HA SER 19 -0.915 0.963 -1.811
121 HB2 SER 19 HB2 SER 19 -0.193 -1.436 -2.122
122 HB3 SER 19 HB1 SER 19 0.844 -0.521 -1.029
123 HG SER 19 HG SER 19 0.201 -2.641 -0.278
124 H GLN 20 HN GLN 20 -2.042 -0.489 -3.435
125 HA GLN 20 HA GLN 20 -4.841 -0.574 -2.851
126 HB2 GLN 20 HB2 GLN 20 -3.218 -1.383 -5.261
127 HB3 GLN 20 HB1 GLN 20 -4.957 -1.631 -5.186
128 HG2 GLN 20 HG2 GLN 20 -5.246 0.797 -4.821
129 HG3 GLN 20 HG1 GLN 20 -3.506 1.002 -5.022
130 HE21 GLN 20 HE21 GLN 20 -2.590 0.724 -7.058
131 HE22 GLN 20 HE22 GLN 20 -3.540 0.731 -8.501
132 H TYR 21 HN TYR 21 -4.875 -1.998 -1.072
133 HA TYR 21 HA TYR 21 -5.351 -4.747 -1.754
134 HB2 TYR 21 HB2 TYR 21 -3.014 -5.060 -1.429
135 HB3 TYR 21 HB1 TYR 21 -2.978 -3.966 -0.055
136 HD1 TYR 21 HD1 TYR 21 -3.967 -7.343 -1.163
137 HD2 TYR 21 HD2 TYR 21 -3.379 -4.760 2.160
138 HE1 TYR 21 HE1 TYR 21 -4.134 -9.273 0.350
139 HE2 TYR 21 HE2 TYR 21 -3.543 -6.684 3.688
140 HH TYR 21 HH TYR 21 -4.508 -8.947 3.704
141 H GLY 22 HN GLY 22 -4.667 -2.663 0.996
142 HA2 GLY 22 HA2 GLY 22 -6.923 -2.075 2.194
143 HA3 GLY 22 HA1 GLY 22 -6.915 -3.801 2.490
144 H PHE 23 HN PHE 23 -3.766 -2.650 2.396
145 HA PHE 23 HA PHE 23 -3.717 -2.249 5.297
146 HB2 PHE 23 HB2 PHE 23 -2.876 -4.550 4.286
147 HB3 PHE 23 HB1 PHE 23 -1.411 -3.621 4.018
148 HD1 PHE 23 HD1 PHE 23 -3.007 -5.758 6.211
149 HD2 PHE 23 HD2 PHE 23 -0.667 -2.199 6.208
150 HE1 PHE 23 HE1 PHE 23 -2.352 -6.189 8.542
151 HE2 PHE 23 HE2 PHE 23 -0.011 -2.628 8.540
152 HZ PHE 23 HZ PHE 23 -0.851 -4.625 9.708
153 H CYS 24 HN CYS 24 -2.391 -0.756 6.094
154 HA CYS 24 HA CYS 24 -0.434 0.581 4.372
155 HB2 CYS 24 HB2 CYS 24 -2.409 1.988 4.390
156 HB3 CYS 24 HB1 CYS 24 -2.519 1.881 6.135
157 H GLY 25 HN GLY 25 1.490 1.033 5.375
158 HA2 GLY 25 HA2 GLY 25 1.936 1.316 8.119
159 HA3 GLY 25 HA1 GLY 25 2.153 -0.377 7.723
160 H SER 26 HN SER 26 4.262 -0.808 7.640
161 HA SER 26 HA SER 26 5.983 0.947 6.020
162 HB2 SER 26 HB2 SER 26 6.613 -0.142 8.760
163 HB3 SER 26 HB1 SER 26 7.807 0.593 7.691
164 HG SER 26 HG SER 26 7.170 2.332 8.737
165 H THR 27 HN THR 27 5.045 -2.217 6.912
166 HA THR 27 HA THR 27 7.370 -3.670 6.215
167 HB THR 27 HB THR 27 4.600 -4.800 5.979
168 HG1 THR 27 HG1 THR 27 4.288 -4.173 7.974
169 HG21 THR 27 HG21 THR 27 6.473 -6.297 5.444
170 HG22 THR 27 HG22 THR 27 5.657 -6.812 6.921
171 HG23 THR 27 HG23 THR 27 7.196 -5.956 7.017
172 H SER 28 HN SER 28 7.571 -5.179 4.388
173 HA SER 28 HA SER 28 7.182 -3.805 1.892
174 HB2 SER 28 HB2 SER 28 9.269 -5.009 2.525
175 HB3 SER 28 HB1 SER 28 8.385 -6.527 2.380
176 HG SER 28 HG SER 28 7.891 -5.377 0.153
177 H GLU 29 HN GLU 29 4.760 -4.069 2.420
178 HA GLU 29 HA GLU 29 3.684 -6.011 0.557
179 HB2 GLU 29 HB2 GLU 29 2.861 -5.932 3.467
180 HB3 GLU 29 HB1 GLU 29 1.814 -6.583 2.217
181 HG2 GLU 29 HG2 GLU 29 4.596 -7.623 2.629
182 HG3 GLU 29 HG1 GLU 29 3.235 -8.216 3.578
183 H TYR 30 HN TYR 30 3.192 -3.438 2.831
184 HA TYR 30 HA TYR 30 1.052 -2.265 1.224
185 HB2 TYR 30 HB2 TYR 30 1.471 -0.742 3.575
186 HB3 TYR 30 HB1 TYR 30 0.102 -1.776 3.200
187 HD1 TYR 30 HD1 TYR 30 0.635 -4.420 3.662
188 HD2 TYR 30 HD2 TYR 30 2.595 -1.147 5.558
189 HE1 TYR 30 HE1 TYR 30 1.219 -5.872 5.553
190 HE2 TYR 30 HE2 TYR 30 3.184 -2.597 7.448
191 HH TYR 30 HH TYR 30 2.896 -5.974 7.342
192 H CYS 31 HN CYS 31 4.288 -1.806 2.346
193 HA CYS 31 HA CYS 31 4.478 0.683 0.798
194 HB2 CYS 31 HB2 CYS 31 4.461 1.037 3.314
195 HB3 CYS 31 HB1 CYS 31 6.001 0.188 3.358
196 H SER 32 HN SER 32 5.305 -0.425 -0.969
197 HA SER 32 HA SER 32 8.054 -1.453 -0.602
198 HB2 SER 32 HB2 SER 32 6.338 -3.213 -1.196
199 HB3 SER 32 HB1 SER 32 6.137 -2.387 -2.740
200 HG SER 32 HG SER 32 8.513 -2.664 -2.918
201 H ARG 33 HN ARG 33 9.536 -1.046 -2.335
202 HA ARG 33 HA ARG 33 8.898 1.437 -3.733
203 HB2 ARG 33 HB2 ARG 33 11.368 1.569 -4.154
204 HB3 ARG 33 HB1 ARG 33 10.892 1.629 -2.468
205 HG2 ARG 33 HG2 ARG 33 11.652 -1.017 -3.596
206 HG3 ARG 33 HG1 ARG 33 12.933 0.160 -3.303
207 HD2 ARG 33 HD2 ARG 33 12.195 0.370 -0.974
208 HD3 ARG 33 HD1 ARG 33 10.927 -0.818 -1.271
209 HE ARG 33 HE ARG 33 13.307 -2.024 -1.993
210 HH11 ARG 33 HH11 ARG 33 11.934 -0.717 0.964
211 HH12 ARG 33 HH12 ARG 33 12.822 -1.795 1.989
212 HH21 ARG 33 HH21 ARG 33 14.458 -3.424 -0.633
213 HH22 ARG 33 HH22 ARG 33 14.249 -3.326 1.084
214 H ALA 34 HN ALA 34 9.360 -1.889 -4.416
215 HA ALA 34 HA ALA 34 9.461 -1.299 -7.305
216 HB1 ALA 34 HB1 ALA 34 10.570 -3.727 -5.908
217 HB2 ALA 34 HB2 ALA 34 11.515 -2.365 -6.509
218 HB3 ALA 34 HB3 ALA 34 10.639 -3.397 -7.639
219 H ASN 35 HN ASN 35 7.579 -2.586 -4.821
220 HA ASN 35 HA ASN 35 5.843 -3.950 -6.767
221 HB2 ASN 35 HB2 ASN 35 6.685 -4.954 -4.049
222 HB3 ASN 35 HB1 ASN 35 5.274 -5.581 -4.895
223 HD21 ASN 35 HD21 ASN 35 5.555 -6.801 -6.761
224 HD22 ASN 35 HD22 ASN 35 7.079 -7.498 -7.182
225 H GLY 36 HN GLY 36 6.082 -1.502 -4.509
226 HA2 GLY 36 HA2 GLY 36 3.156 -1.390 -4.260
227 HA3 GLY 36 HA1 GLY 36 4.133 -1.254 -2.809
228 H CYS 37 HN CYS 37 4.200 0.723 -2.112
229 HA CYS 37 HA CYS 37 4.206 2.968 -1.934
230 HB2 CYS 37 HB2 CYS 37 6.109 2.459 -4.150
231 HB3 CYS 37 HB1 CYS 37 5.572 4.122 -3.934
232 H GLN 38 HN GLN 38 1.882 2.803 -2.344
233 HA GLN 38 HA GLN 38 1.067 4.070 -4.874
234 HB2 GLN 38 HB2 GLN 38 -0.825 2.946 -2.813
235 HB3 GLN 38 HB1 GLN 38 -1.116 3.227 -4.522
236 HG2 GLN 38 HG2 GLN 38 0.860 1.185 -3.539
237 HG3 GLN 38 HG1 GLN 38 -0.845 0.815 -3.784
238 HE21 GLN 38 HE21 GLN 38 -1.683 0.767 -5.876
239 HE22 GLN 38 HE22 GLN 38 -0.665 0.666 -7.268
240 H SER 39 HN SER 39 0.636 4.252 -1.361
241 HA SER 39 HA SER 39 -0.370 6.967 -1.482
242 HB2 SER 39 HB2 SER 39 -0.035 4.835 0.565
243 HB3 SER 39 HB1 SER 39 -0.101 6.502 1.135
244 HG SER 39 HG SER 39 -2.188 5.864 1.082
245 H ASN 40 HN ASN 40 0.816 8.115 0.788
246 HA ASN 40 HA ASN 40 3.323 8.987 -0.283
247 HB2 ASN 40 HB2 ASN 40 1.517 10.248 1.199
248 HB3 ASN 40 HB1 ASN 40 2.525 9.654 2.514
249 HD21 ASN 40 HD21 ASN 40 2.363 11.746 -0.254
250 HD22 ASN 40 HD22 ASN 40 3.790 12.654 0.095
251 H CYS 41 HN CYS 41 4.561 7.098 -0.347
252 HA CYS 41 HA CYS 41 5.326 5.824 2.167
253 HB2 CYS 41 HB2 CYS 41 6.470 4.174 0.771
254 HB3 CYS 41 HB1 CYS 41 4.841 4.424 0.161
255 H ARG 42 HN ARG 42 7.524 5.529 2.791
256 HA ARG 42 HA ARG 42 9.647 6.115 3.273
257 HB2 ARG 42 HB2 ARG 42 9.562 7.393 0.550
258 HB3 ARG 42 HB1 ARG 42 10.986 7.472 1.577
259 HG2 ARG 42 HG2 ARG 42 11.524 5.645 0.329
260 HG3 ARG 42 HG1 ARG 42 10.653 4.845 1.636
261 HD2 ARG 42 HD2 ARG 42 9.899 3.939 -0.456
262 HD3 ARG 42 HD1 ARG 42 8.600 4.908 0.234
263 HE ARG 42 HE ARG 42 9.392 6.703 -1.350
264 HH11 ARG 42 HH11 ARG 42 9.856 3.305 -2.115
265 HH12 ARG 42 HH12 ARG 42 9.875 3.578 -3.825
266 HH21 ARG 42 HH21 ARG 42 9.420 7.031 -3.590
267 HH22 ARG 42 HH22 ARG 42 9.628 5.684 -4.658
268 H GLY 43 HN GLY 43 7.594 8.736 2.229
269 HA2 GLY 43 HA2 GLY 43 7.055 10.532 3.728
270 HA3 GLY 43 HA1 GLY 43 8.658 10.376 4.430
Start of MODEL 2
1 H1 GLN 1 HT1 GLN 1 -2.961 0.135 10.387
2 H2 GLN 1 HT2 GLN 1 -3.481 -1.468 10.264
3 H3 GLN 1 HT3 GLN 1 -4.487 -0.306 10.971
4 HA GLN 1 HA GLN 1 -3.623 -0.350 8.138
5 HB2 GLN 1 HB2 GLN 1 -6.210 -1.119 9.487
6 HB3 GLN 1 HB1 GLN 1 -6.126 -0.723 7.776
7 HG2 GLN 1 HG2 GLN 1 -4.609 -2.553 7.382
8 HG3 GLN 1 HG1 GLN 1 -4.548 -2.912 9.108
9 HE21 GLN 1 HE21 GLN 1 -6.317 -3.884 10.098
10 HE22 GLN 1 HE22 GLN 1 -7.564 -4.664 9.192
11 H ASN 2 HN ASN 2 -3.958 1.459 7.014
12 HA ASN 2 HA ASN 2 -5.528 3.620 8.243
13 HB2 ASN 2 HB2 ASN 2 -2.794 3.792 6.981
14 HB3 ASN 2 HB1 ASN 2 -3.832 5.202 7.125
15 HD21 ASN 2 HD21 ASN 2 -4.237 6.078 9.142
16 HD22 ASN 2 HD22 ASN 2 -3.314 5.655 10.540
17 H CYS 3 HN CYS 3 -4.422 2.052 5.334
18 HA CYS 3 HA CYS 3 -6.669 3.055 3.825
19 HB2 CYS 3 HB2 CYS 3 -5.484 4.924 3.255
20 HB3 CYS 3 HB1 CYS 3 -3.936 4.157 3.548
21 H GLY 4 HN GLY 4 -6.659 2.236 1.550
22 HA2 GLY 4 HA2 GLY 4 -5.181 0.532 0.200
23 HA3 GLY 4 HA1 GLY 4 -5.720 -0.527 1.487
24 H ARG 5 HN ARG 5 -7.510 -1.654 1.103
25 HA ARG 5 HA ARG 5 -9.510 -0.600 -0.769
26 HB2 ARG 5 HB2 ARG 5 -8.116 -2.297 -1.884
27 HB3 ARG 5 HB1 ARG 5 -8.489 -3.447 -0.608
28 HG2 ARG 5 HG2 ARG 5 -10.747 -3.589 -1.270
29 HG3 ARG 5 HG1 ARG 5 -10.583 -2.209 -2.358
30 HD2 ARG 5 HD2 ARG 5 -9.037 -3.500 -3.756
31 HD3 ARG 5 HD1 ARG 5 -9.203 -4.875 -2.666
32 HE ARG 5 HE ARG 5 -11.756 -4.153 -3.532
33 HH11 ARG 5 HH11 ARG 5 -8.821 -5.496 -4.918
34 HH12 ARG 5 HH12 ARG 5 -9.666 -6.355 -6.162
35 HH21 ARG 5 HH21 ARG 5 -12.839 -5.287 -5.169
36 HH22 ARG 5 HH22 ARG 5 -11.938 -6.236 -6.303
37 H GLN 6 HN GLN 6 -8.778 -2.125 2.190
38 HA GLN 6 HA GLN 6 -11.458 -3.111 2.711
39 HB2 GLN 6 HB2 GLN 6 -8.910 -3.163 4.312
40 HB3 GLN 6 HB1 GLN 6 -10.445 -3.703 4.974
41 HG2 GLN 6 HG2 GLN 6 -10.612 -5.386 3.208
42 HG3 GLN 6 HG1 GLN 6 -9.065 -4.847 2.556
43 HE21 GLN 6 HE21 GLN 6 -7.172 -5.309 3.676
44 HE22 GLN 6 HE22 GLN 6 -7.109 -6.509 4.917
45 H ALA 7 HN ALA 7 -9.517 -0.354 3.500
46 HA ALA 7 HA ALA 7 -11.279 0.571 5.619
47 HB1 ALA 7 HB1 ALA 7 -8.886 1.908 4.354
48 HB2 ALA 7 HB2 ALA 7 -8.857 0.900 5.801
49 HB3 ALA 7 HB3 ALA 7 -9.721 2.437 5.815
50 H GLY 8 HN GLY 8 -11.894 0.379 2.543
51 HA2 GLY 8 HA2 GLY 8 -13.613 1.461 1.364
52 HA3 GLY 8 HA1 GLY 8 -13.460 2.840 2.444
53 H ASN 9 HN ASN 9 -10.585 1.524 1.100
54 HA ASN 9 HA ASN 9 -8.958 2.320 -0.234
55 HB2 ASN 9 HB2 ASN 9 -11.350 3.089 -1.924
56 HB3 ASN 9 HB1 ASN 9 -9.687 3.246 -2.481
57 HD21 ASN 9 HD21 ASN 9 -12.234 1.045 -1.634
58 HD22 ASN 9 HD22 ASN 9 -11.516 -0.370 -2.317
59 H ARG 10 HN ARG 10 -8.419 3.802 1.476
60 HA ARG 10 HA ARG 10 -9.002 6.628 0.903
61 HB2 ARG 10 HB2 ARG 10 -8.081 5.198 3.402
62 HB3 ARG 10 HB1 ARG 10 -8.025 6.948 3.254
63 HG2 ARG 10 HG2 ARG 10 -10.447 6.997 2.905
64 HG3 ARG 10 HG1 ARG 10 -10.501 5.240 3.056
65 HD2 ARG 10 HD2 ARG 10 -11.130 6.079 5.167
66 HD3 ARG 10 HD1 ARG 10 -9.460 5.546 5.347
67 HE ARG 10 HE ARG 10 -9.460 8.266 4.673
68 HH11 ARG 10 HH11 ARG 10 -10.368 6.230 7.386
69 HH12 ARG 10 HH12 ARG 10 -10.091 7.473 8.560
70 HH21 ARG 10 HH21 ARG 10 -9.377 9.536 7.902
71 HH22 ARG 10 HH22 ARG 10 -9.105 9.878 6.226
72 H ALA 11 HN ALA 11 -6.684 7.590 2.410
73 HA ALA 11 HA ALA 11 -4.370 6.640 0.895
74 HB1 ALA 11 HB1 ALA 11 -5.198 9.538 0.939
75 HB2 ALA 11 HB2 ALA 11 -5.295 8.459 -0.453
76 HB3 ALA 11 HB3 ALA 11 -3.724 8.889 0.221
77 H CYS 12 HN CYS 12 -2.452 6.774 2.009
78 HA CYS 12 HA CYS 12 -2.647 7.672 4.795
79 HB2 CYS 12 HB2 CYS 12 -0.543 6.046 3.358
80 HB3 CYS 12 HB1 CYS 12 -0.477 6.467 5.065
81 H ALA 13 HN ALA 13 -1.915 9.595 5.401
82 HA ALA 13 HA ALA 13 0.329 10.814 3.937
83 HB1 ALA 13 HB1 ALA 13 -1.759 11.803 3.135
84 HB2 ALA 13 HB2 ALA 13 -0.759 12.982 3.984
85 HB3 ALA 13 HB3 ALA 13 -2.163 12.277 4.785
86 H ASN 14 HN ASN 14 0.020 9.426 6.619
87 HA ASN 14 HA ASN 14 0.655 11.590 8.468
88 HB2 ASN 14 HB2 ASN 14 0.091 8.662 8.908
89 HB3 ASN 14 HB1 ASN 14 0.641 9.730 10.195
90 HD21 ASN 14 HD21 ASN 14 -1.968 8.925 8.049
91 HD22 ASN 14 HD22 ASN 14 -3.187 9.842 8.859
92 H GLN 15 HN GLN 15 2.046 8.352 8.323
93 HA GLN 15 HA GLN 15 4.721 9.420 7.852
94 HB2 GLN 15 HB2 GLN 15 3.925 7.883 10.320
95 HB3 GLN 15 HB1 GLN 15 5.589 7.943 9.757
96 HG2 GLN 15 HG2 GLN 15 5.582 10.373 9.983
97 HG3 GLN 15 HG1 GLN 15 3.910 10.318 10.538
98 HE21 GLN 15 HE21 GLN 15 3.453 9.517 12.588
99 HE22 GLN 15 HE22 GLN 15 4.673 9.335 13.797
100 H LEU 16 HN LEU 16 2.534 6.745 8.046
101 HA LEU 16 HA LEU 16 4.424 4.924 6.764
102 HB2 LEU 16 HB2 LEU 16 2.695 3.179 7.186
103 HB3 LEU 16 HB1 LEU 16 3.252 3.959 8.647
104 HG LEU 16 HG LEU 16 0.685 4.797 7.311
105 HD11 LEU 16 HD11 LEU 16 1.076 2.568 9.299
106 HD12 LEU 16 HD12 LEU 16 0.467 2.427 7.648
107 HD13 LEU 16 HD13 LEU 16 -0.482 3.274 8.869
108 HD21 LEU 16 HD21 LEU 16 0.117 5.291 9.751
109 HD22 LEU 16 HD22 LEU 16 1.301 6.343 8.983
110 HD23 LEU 16 HD23 LEU 16 1.835 5.071 10.081
111 H CYS 17 HN CYS 17 2.959 3.324 5.159
112 HA CYS 17 HA CYS 17 1.443 5.010 3.337
113 HB2 CYS 17 HB2 CYS 17 2.904 4.996 1.582
114 HB3 CYS 17 HB1 CYS 17 4.091 4.777 2.856
115 H CYS 18 HN CYS 18 0.066 4.015 1.969
116 HA CYS 18 HA CYS 18 -0.418 1.167 2.502
117 HB2 CYS 18 HB2 CYS 18 -2.745 1.636 1.920
118 HB3 CYS 18 HB1 CYS 18 -2.191 2.744 3.167
119 H SER 19 HN SER 19 -1.599 0.009 0.862
120 HA SER 19 HA SER 19 -0.883 0.636 -1.916
121 HB2 SER 19 HB2 SER 19 -0.506 -1.858 -2.242
122 HB3 SER 19 HB1 SER 19 0.703 -1.072 -1.226
123 HG SER 19 HG SER 19 0.155 -2.785 -0.043
124 H GLN 20 HN GLN 20 -2.246 -0.789 -3.471
125 HA GLN 20 HA GLN 20 -5.014 -0.504 -2.732
126 HB2 GLN 20 HB2 GLN 20 -3.880 -0.148 -5.061
127 HB3 GLN 20 HB1 GLN 20 -4.096 -1.882 -5.242
128 HG2 GLN 20 HG2 GLN 20 -6.505 -1.614 -4.923
129 HG3 GLN 20 HG1 GLN 20 -6.286 0.125 -4.739
130 HE21 GLN 20 HE21 GLN 20 -6.260 -2.554 -6.948
131 HE22 GLN 20 HE22 GLN 20 -6.272 -1.620 -8.402
132 H TYR 21 HN TYR 21 -4.705 -2.006 -0.885
133 HA TYR 21 HA TYR 21 -5.629 -4.671 -1.579
134 HB2 TYR 21 HB2 TYR 21 -3.340 -5.220 -1.435
135 HB3 TYR 21 HB1 TYR 21 -3.061 -4.096 -0.115
136 HD1 TYR 21 HD1 TYR 21 -3.229 -4.801 2.142
137 HD2 TYR 21 HD2 TYR 21 -4.533 -7.379 -0.973
138 HE1 TYR 21 HE1 TYR 21 -3.407 -6.656 3.754
139 HE2 TYR 21 HE2 TYR 21 -4.716 -9.239 0.623
140 HH TYR 21 HH TYR 21 -4.606 -8.788 3.983
141 H GLY 22 HN GLY 22 -4.721 -2.508 1.041
142 HA2 GLY 22 HA2 GLY 22 -6.754 -1.840 2.458
143 HA3 GLY 22 HA1 GLY 22 -6.917 -3.570 2.692
144 H PHE 23 HN PHE 23 -3.708 -2.296 2.462
145 HA PHE 23 HA PHE 23 -3.450 -2.280 5.373
146 HB2 PHE 23 HB2 PHE 23 -2.747 -4.497 4.190
147 HB3 PHE 23 HB1 PHE 23 -1.312 -3.595 3.744
148 HD1 PHE 23 HD1 PHE 23 -2.097 -6.069 5.722
149 HD2 PHE 23 HD2 PHE 23 -0.708 -2.068 6.209
150 HE1 PHE 23 HE1 PHE 23 -1.113 -6.674 7.890
151 HE2 PHE 23 HE2 PHE 23 0.274 -2.675 8.379
152 HZ PHE 23 HZ PHE 23 0.076 -4.979 9.220
153 H CYS 24 HN CYS 24 -2.474 -0.553 6.089
154 HA CYS 24 HA CYS 24 -0.494 0.860 4.445
155 HB2 CYS 24 HB2 CYS 24 -2.616 2.058 5.254
156 HB3 CYS 24 HB1 CYS 24 -1.918 1.938 6.864
157 H GLY 25 HN GLY 25 1.537 1.335 5.342
158 HA2 GLY 25 HA2 GLY 25 2.315 1.147 7.998
159 HA3 GLY 25 HA1 GLY 25 2.474 -0.469 7.343
160 H SER 26 HN SER 26 4.607 -0.775 7.192
161 HA SER 26 HA SER 26 6.133 1.006 5.434
162 HB2 SER 26 HB2 SER 26 7.005 0.126 8.185
163 HB3 SER 26 HB1 SER 26 8.081 0.860 6.996
164 HG SER 26 HG SER 26 7.385 2.695 7.726
165 H THR 27 HN THR 27 5.526 -2.134 6.699
166 HA THR 27 HA THR 27 7.821 -3.548 5.921
167 HB THR 27 HB THR 27 5.085 -4.784 5.832
168 HG1 THR 27 HG1 THR 27 4.777 -4.052 7.788
169 HG21 THR 27 HG21 THR 27 6.241 -6.679 6.917
170 HG22 THR 27 HG22 THR 27 7.750 -5.769 6.861
171 HG23 THR 27 HG23 THR 27 6.964 -6.266 5.363
172 H SER 28 HN SER 28 7.853 -5.266 4.162
173 HA SER 28 HA SER 28 7.423 -3.964 1.632
174 HB2 SER 28 HB2 SER 28 8.604 -5.980 0.717
175 HB3 SER 28 HB1 SER 28 9.505 -5.119 1.964
176 HG SER 28 HG SER 28 9.379 -7.498 2.132
177 H GLU 29 HN GLU 29 5.048 -4.053 2.151
178 HA GLU 29 HA GLU 29 3.799 -5.976 0.397
179 HB2 GLU 29 HB2 GLU 29 3.103 -5.839 3.341
180 HB3 GLU 29 HB1 GLU 29 1.946 -6.397 2.144
181 HG2 GLU 29 HG2 GLU 29 4.652 -7.662 2.427
182 HG3 GLU 29 HG1 GLU 29 3.287 -8.148 3.430
183 H TYR 30 HN TYR 30 3.615 -3.325 2.607
184 HA TYR 30 HA TYR 30 1.467 -2.045 1.079
185 HB2 TYR 30 HB2 TYR 30 1.989 -0.586 3.451
186 HB3 TYR 30 HB1 TYR 30 0.575 -1.564 3.085
187 HD1 TYR 30 HD1 TYR 30 0.873 -4.172 3.562
188 HD2 TYR 30 HD2 TYR 30 3.285 -1.125 5.294
189 HE1 TYR 30 HE1 TYR 30 1.446 -5.686 5.408
190 HE2 TYR 30 HE2 TYR 30 3.860 -2.630 7.144
191 HH TYR 30 HH TYR 30 3.235 -5.961 7.070
192 H CYS 31 HN CYS 31 4.795 -1.865 1.901
193 HA CYS 31 HA CYS 31 5.062 0.597 0.353
194 HB2 CYS 31 HB2 CYS 31 6.431 0.181 3.021
195 HB3 CYS 31 HB1 CYS 31 6.698 1.537 1.932
196 H SER 32 HN SER 32 5.852 -0.564 -1.356
197 HA SER 32 HA SER 32 8.473 -1.831 -0.960
198 HB2 SER 32 HB2 SER 32 6.406 -2.436 -3.085
199 HB3 SER 32 HB1 SER 32 7.997 -3.188 -2.973
200 HG SER 32 HG SER 32 7.141 -4.537 -1.627
201 H ARG 33 HN ARG 33 6.734 -0.580 -3.773
202 HA ARG 33 HA ARG 33 8.264 1.731 -4.163
203 HB2 ARG 33 HB2 ARG 33 9.512 1.028 -6.250
204 HB3 ARG 33 HB1 ARG 33 10.169 0.451 -4.730
205 HG2 ARG 33 HG2 ARG 33 9.150 -1.750 -5.135
206 HG3 ARG 33 HG1 ARG 33 8.517 -1.163 -6.673
207 HD2 ARG 33 HD2 ARG 33 10.485 -2.346 -7.205
208 HD3 ARG 33 HD1 ARG 33 10.915 -0.639 -7.301
209 HE ARG 33 HE ARG 33 11.509 -1.510 -4.722
210 HH11 ARG 33 HH11 ARG 33 12.636 -2.149 -7.987
211 HH12 ARG 33 HH12 ARG 33 14.238 -2.561 -7.476
212 HH21 ARG 33 HH21 ARG 33 13.613 -2.055 -4.077
213 HH22 ARG 33 HH22 ARG 33 14.790 -2.508 -5.264
214 H ALA 34 HN ALA 34 6.694 -0.832 -5.994
215 HA ALA 34 HA ALA 34 4.885 1.150 -7.187
216 HB1 ALA 34 HB1 ALA 34 5.031 0.069 -9.365
217 HB2 ALA 34 HB2 ALA 34 6.218 -1.072 -8.732
218 HB3 ALA 34 HB3 ALA 34 6.617 0.643 -8.847
219 H ASN 35 HN ASN 35 5.464 -2.018 -5.968
220 HA ASN 35 HA ASN 35 2.759 -2.944 -6.574
221 HB2 ASN 35 HB2 ASN 35 5.176 -4.328 -5.414
222 HB3 ASN 35 HB1 ASN 35 3.589 -5.089 -5.496
223 HD21 ASN 35 HD21 ASN 35 2.736 -5.657 -7.497
224 HD22 ASN 35 HD22 ASN 35 3.719 -5.766 -8.915
225 H GLY 36 HN GLY 36 4.705 -1.809 -3.951
226 HA2 GLY 36 HA2 GLY 36 2.501 -2.323 -2.056
227 HA3 GLY 36 HA1 GLY 36 4.193 -2.231 -1.594
228 H CYS 37 HN CYS 37 5.217 -0.054 -2.400
229 HA CYS 37 HA CYS 37 3.968 2.010 -0.911
230 HB2 CYS 37 HB2 CYS 37 6.226 2.284 -0.810
231 HB3 CYS 37 HB1 CYS 37 6.483 1.621 -2.415
232 H GLN 38 HN GLN 38 2.026 2.686 -1.644
233 HA GLN 38 HA GLN 38 1.974 3.868 -4.356
234 HB2 GLN 38 HB2 GLN 38 -0.340 2.738 -2.765
235 HB3 GLN 38 HB1 GLN 38 -0.474 3.518 -4.335
236 HG2 GLN 38 HG2 GLN 38 1.378 1.625 -4.862
237 HG3 GLN 38 HG1 GLN 38 0.408 0.808 -3.643
238 HE21 GLN 38 HE21 GLN 38 -1.745 0.326 -4.087
239 HE22 GLN 38 HE22 GLN 38 -2.381 0.360 -5.692
240 H SER 39 HN SER 39 0.775 4.162 -1.029
241 HA SER 39 HA SER 39 -0.161 6.835 -1.295
242 HB2 SER 39 HB2 SER 39 -0.814 5.013 0.374
243 HB3 SER 39 HB1 SER 39 0.662 5.441 1.237
244 HG SER 39 HG SER 39 -0.264 7.191 1.940
245 H ASN 40 HN ASN 40 0.980 7.909 1.160
246 HA ASN 40 HA ASN 40 3.330 9.158 0.106
247 HB2 ASN 40 HB2 ASN 40 1.479 10.101 1.701
248 HB3 ASN 40 HB1 ASN 40 2.470 9.396 2.971
249 HD21 ASN 40 HD21 ASN 40 4.514 10.243 3.379
250 HD22 ASN 40 HD22 ASN 40 4.995 11.798 2.798
251 H CYS 41 HN CYS 41 4.697 7.362 -0.193
252 HA CYS 41 HA CYS 41 5.766 6.111 2.226
253 HB2 CYS 41 HB2 CYS 41 6.906 4.683 0.214
254 HB3 CYS 41 HB1 CYS 41 5.351 4.282 0.927
255 H ARG 42 HN ARG 42 7.794 5.959 -0.540
256 HA ARG 42 HA ARG 42 9.761 7.663 0.777
257 HB2 ARG 42 HB2 ARG 42 10.024 5.834 -1.616
258 HB3 ARG 42 HB1 ARG 42 11.340 6.775 -0.936
259 HG2 ARG 42 HG2 ARG 42 11.766 4.856 0.171
260 HG3 ARG 42 HG1 ARG 42 10.539 5.477 1.275
261 HD2 ARG 42 HD2 ARG 42 8.972 4.210 -0.522
262 HD3 ARG 42 HD1 ARG 42 10.420 3.213 -0.616
263 HE ARG 42 HE ARG 42 9.037 3.771 1.929
264 HH11 ARG 42 HH11 ARG 42 10.557 1.491 -0.274
265 HH12 ARG 42 HH12 ARG 42 10.391 0.155 0.817
266 HH21 ARG 42 HH21 ARG 42 8.837 2.006 3.337
267 HH22 ARG 42 HH22 ARG 42 9.419 0.448 2.857
268 H GLY 43 HN GLY 43 7.606 7.764 -1.896
269 HA2 GLY 43 HA2 GLY 43 7.256 10.195 -2.581
270 HA3 GLY 43 HA1 GLY 43 8.963 10.143 -2.995
Start of MODEL 3
1 H1 GLN 1 HT1 GLN 1 -3.105 -2.348 10.114
2 H2 GLN 1 HT2 GLN 1 -4.038 -1.208 10.945
3 H3 GLN 1 HT3 GLN 1 -2.513 -0.780 10.354
4 HA GLN 1 HA GLN 1 -3.257 -1.047 8.093
5 HB2 GLN 1 HB2 GLN 1 -5.857 -1.790 9.440
6 HB3 GLN 1 HB1 GLN 1 -5.764 -1.307 7.753
7 HG2 GLN 1 HG2 GLN 1 -4.319 -3.185 7.264
8 HG3 GLN 1 HG1 GLN 1 -4.312 -3.647 8.964
9 HE21 GLN 1 HE21 GLN 1 -6.151 -4.575 9.866
10 HE22 GLN 1 HE22 GLN 1 -7.421 -5.229 8.894
11 H ASN 2 HN ASN 2 -3.679 0.833 7.076
12 HA ASN 2 HA ASN 2 -5.031 2.959 8.596
13 HB2 ASN 2 HB2 ASN 2 -2.287 2.905 7.901
14 HB3 ASN 2 HB1 ASN 2 -3.044 4.091 6.841
15 HD21 ASN 2 HD21 ASN 2 -2.289 3.240 10.125
16 HD22 ASN 2 HD22 ASN 2 -2.625 4.788 10.817
17 H CYS 3 HN CYS 3 -4.534 1.367 5.573
18 HA CYS 3 HA CYS 3 -6.799 2.550 4.347
19 HB2 CYS 3 HB2 CYS 3 -5.747 4.492 3.745
20 HB3 CYS 3 HB1 CYS 3 -4.150 3.784 3.868
21 H GLY 4 HN GLY 4 -6.666 2.044 1.807
22 HA2 GLY 4 HA2 GLY 4 -5.324 0.345 0.385
23 HA3 GLY 4 HA1 GLY 4 -5.891 -0.778 1.603
24 H ARG 5 HN ARG 5 -7.679 -1.851 1.115
25 HA ARG 5 HA ARG 5 -9.643 -0.629 -0.711
26 HB2 ARG 5 HB2 ARG 5 -8.972 -3.574 -0.626
27 HB3 ARG 5 HB1 ARG 5 -10.033 -2.760 -1.764
28 HG2 ARG 5 HG2 ARG 5 -8.010 -1.474 -2.538
29 HG3 ARG 5 HG1 ARG 5 -7.045 -2.591 -1.572
30 HD2 ARG 5 HD2 ARG 5 -7.957 -4.474 -2.841
31 HD3 ARG 5 HD1 ARG 5 -8.923 -3.362 -3.806
32 HE ARG 5 HE ARG 5 -6.235 -2.596 -3.988
33 HH11 ARG 5 HH11 ARG 5 -8.297 -5.237 -5.039
34 HH12 ARG 5 HH12 ARG 5 -7.329 -5.592 -6.430
35 HH21 ARG 5 HH21 ARG 5 -4.979 -3.082 -5.814
36 HH22 ARG 5 HH22 ARG 5 -5.453 -4.372 -6.868
37 H GLN 6 HN GLN 6 -8.981 -2.161 2.213
38 HA GLN 6 HA GLN 6 -11.681 -3.141 2.699
39 HB2 GLN 6 HB2 GLN 6 -9.150 -3.240 4.327
40 HB3 GLN 6 HB1 GLN 6 -10.698 -3.783 4.955
41 HG2 GLN 6 HG2 GLN 6 -10.844 -5.430 3.146
42 HG3 GLN 6 HG1 GLN 6 -9.275 -4.894 2.545
43 HE21 GLN 6 HE21 GLN 6 -7.416 -5.396 3.707
44 HE22 GLN 6 HE22 GLN 6 -7.398 -6.619 4.927
45 H ALA 7 HN ALA 7 -9.688 -0.438 3.574
46 HA ALA 7 HA ALA 7 -11.463 0.477 5.683
47 HB1 ALA 7 HB1 ALA 7 -9.871 2.304 5.949
48 HB2 ALA 7 HB2 ALA 7 -9.028 1.798 4.485
49 HB3 ALA 7 HB3 ALA 7 -9.037 0.750 5.902
50 H GLY 8 HN GLY 8 -12.072 0.371 2.609
51 HA2 GLY 8 HA2 GLY 8 -13.756 1.520 1.447
52 HA3 GLY 8 HA1 GLY 8 -13.579 2.868 2.562
53 H ASN 9 HN ASN 9 -10.737 1.516 1.172
54 HA ASN 9 HA ASN 9 -9.097 2.306 -0.151
55 HB2 ASN 9 HB2 ASN 9 -11.475 3.208 -1.792
56 HB3 ASN 9 HB1 ASN 9 -9.813 3.334 -2.358
57 HD21 ASN 9 HD21 ASN 9 -8.666 1.461 -2.843
58 HD22 ASN 9 HD22 ASN 9 -9.452 -0.057 -3.089
59 H ARG 10 HN ARG 10 -8.537 3.707 1.634
60 HA ARG 10 HA ARG 10 -9.039 6.566 1.199
61 HB2 ARG 10 HB2 ARG 10 -8.028 4.980 3.563
62 HB3 ARG 10 HB1 ARG 10 -7.902 6.731 3.504
63 HG2 ARG 10 HG2 ARG 10 -10.339 6.894 3.288
64 HG3 ARG 10 HG1 ARG 10 -10.455 5.135 3.370
65 HD2 ARG 10 HD2 ARG 10 -10.930 5.899 5.546
66 HD3 ARG 10 HD1 ARG 10 -9.272 5.304 5.607
67 HE ARG 10 HE ARG 10 -9.175 8.034 5.048
68 HH11 ARG 10 HH11 ARG 10 -10.144 5.967 7.716
69 HH12 ARG 10 HH12 ARG 10 -9.790 7.160 8.920
70 HH21 ARG 10 HH21 ARG 10 -8.982 9.203 8.311
71 HH22 ARG 10 HH22 ARG 10 -8.717 9.581 6.641
72 H ALA 11 HN ALA 11 -6.637 7.475 2.554
73 HA ALA 11 HA ALA 11 -4.421 6.472 0.939
74 HB1 ALA 11 HB1 ALA 11 -3.782 8.686 0.155
75 HB2 ALA 11 HB2 ALA 11 -5.204 9.384 0.930
76 HB3 ALA 11 HB3 ALA 11 -5.396 8.262 -0.417
77 H CYS 12 HN CYS 12 -2.444 6.648 1.911
78 HA CYS 12 HA CYS 12 -2.427 7.730 4.644
79 HB2 CYS 12 HB2 CYS 12 -0.623 5.734 3.264
80 HB3 CYS 12 HB1 CYS 12 -0.324 6.358 4.883
81 H ALA 13 HN ALA 13 -1.523 9.647 4.971
82 HA ALA 13 HA ALA 13 0.830 10.438 3.409
83 HB1 ALA 13 HB1 ALA 13 -0.065 12.654 2.978
84 HB2 ALA 13 HB2 ALA 13 -1.570 12.219 3.789
85 HB3 ALA 13 HB3 ALA 13 -1.112 11.414 2.288
86 H ASN 14 HN ASN 14 0.381 9.573 6.235
87 HA ASN 14 HA ASN 14 1.005 12.003 7.727
88 HB2 ASN 14 HB2 ASN 14 0.299 9.214 8.626
89 HB3 ASN 14 HB1 ASN 14 0.834 10.467 9.741
90 HD21 ASN 14 HD21 ASN 14 -1.706 9.395 7.632
91 HD22 ASN 14 HD22 ASN 14 -2.922 10.478 8.211
92 H GLN 15 HN GLN 15 2.263 8.719 8.066
93 HA GLN 15 HA GLN 15 5.007 9.656 7.694
94 HB2 GLN 15 HB2 GLN 15 3.985 8.309 10.192
95 HB3 GLN 15 HB1 GLN 15 5.687 8.305 9.753
96 HG2 GLN 15 HG2 GLN 15 5.712 10.747 9.819
97 HG3 GLN 15 HG1 GLN 15 4.004 10.751 10.258
98 HE21 GLN 15 HE21 GLN 15 7.241 10.085 11.324
99 HE22 GLN 15 HE22 GLN 15 6.880 9.966 13.010
100 H LEU 16 HN LEU 16 2.684 7.112 7.857
101 HA LEU 16 HA LEU 16 4.573 5.122 6.835
102 HB2 LEU 16 HB2 LEU 16 2.631 3.524 7.190
103 HB3 LEU 16 HB1 LEU 16 3.295 4.237 8.644
104 HG LEU 16 HG LEU 16 0.870 5.451 7.366
105 HD11 LEU 16 HD11 LEU 16 0.875 3.070 9.211
106 HD12 LEU 16 HD12 LEU 16 0.329 3.097 7.533
107 HD13 LEU 16 HD13 LEU 16 -0.543 4.012 8.761
108 HD21 LEU 16 HD21 LEU 16 1.955 6.641 9.222
109 HD22 LEU 16 HD22 LEU 16 1.779 5.212 10.239
110 HD23 LEU 16 HD23 LEU 16 0.348 6.074 9.674
111 H CYS 17 HN CYS 17 2.864 3.496 5.293
112 HA CYS 17 HA CYS 17 1.612 5.190 3.338
113 HB2 CYS 17 HB2 CYS 17 3.081 5.039 1.582
114 HB3 CYS 17 HB1 CYS 17 4.233 4.927 2.903
115 H CYS 18 HN CYS 18 0.213 4.406 2.096
116 HA CYS 18 HA CYS 18 -0.799 1.733 2.592
117 HB2 CYS 18 HB2 CYS 18 -2.255 3.660 2.866
118 HB3 CYS 18 HB1 CYS 18 -1.937 4.159 1.216
119 H SER 19 HN SER 19 -1.623 0.417 0.920
120 HA SER 19 HA SER 19 -0.739 0.958 -1.817
121 HB2 SER 19 HB2 SER 19 -0.067 -1.471 -2.055
122 HB3 SER 19 HB1 SER 19 0.994 -0.532 -1.005
123 HG SER 19 HG SER 19 0.300 -2.635 -0.184
124 H GLN 20 HN GLN 20 -1.931 -0.328 -3.438
125 HA GLN 20 HA GLN 20 -4.713 -0.455 -2.815
126 HB2 GLN 20 HB2 GLN 20 -3.136 -1.194 -5.278
127 HB3 GLN 20 HB1 GLN 20 -4.878 -1.407 -5.183
128 HG2 GLN 20 HG2 GLN 20 -5.136 0.997 -4.761
129 HG3 GLN 20 HG1 GLN 20 -3.390 1.196 -4.907
130 HE21 GLN 20 HE21 GLN 20 -6.357 0.554 -6.594
131 HE22 GLN 20 HE22 GLN 20 -5.743 0.802 -8.190
132 H TYR 21 HN TYR 21 -4.787 -1.951 -1.109
133 HA TYR 21 HA TYR 21 -5.234 -4.675 -1.910
134 HB2 TYR 21 HB2 TYR 21 -2.912 -5.006 -1.569
135 HB3 TYR 21 HB1 TYR 21 -2.879 -3.944 -0.172
136 HD1 TYR 21 HD1 TYR 21 -3.864 -7.295 -1.356
137 HD2 TYR 21 HD2 TYR 21 -3.278 -4.790 2.028
138 HE1 TYR 21 HE1 TYR 21 -4.029 -9.260 0.111
139 HE2 TYR 21 HE2 TYR 21 -3.440 -6.749 3.508
140 HH TYR 21 HH TYR 21 -4.401 -9.011 3.474
141 H GLY 22 HN GLY 22 -4.568 -2.790 0.984
142 HA2 GLY 22 HA2 GLY 22 -6.885 -2.306 2.175
143 HA3 GLY 22 HA1 GLY 22 -6.781 -4.039 2.416
144 H PHE 23 HN PHE 23 -3.701 -2.749 2.328
145 HA PHE 23 HA PHE 23 -3.635 -2.358 5.225
146 HB2 PHE 23 HB2 PHE 23 -2.757 -4.651 4.190
147 HB3 PHE 23 HB1 PHE 23 -1.304 -3.693 3.970
148 HD1 PHE 23 HD1 PHE 23 -2.803 -5.953 6.054
149 HD2 PHE 23 HD2 PHE 23 -0.745 -2.227 6.240
150 HE1 PHE 23 HE1 PHE 23 -2.194 -6.407 8.392
151 HE2 PHE 23 HE2 PHE 23 -0.134 -2.681 8.580
152 HZ PHE 23 HZ PHE 23 -0.858 -4.773 9.658
153 H CYS 24 HN CYS 24 -2.283 -0.867 6.011
154 HA CYS 24 HA CYS 24 -0.408 0.514 4.232
155 HB2 CYS 24 HB2 CYS 24 -2.380 1.905 4.318
156 HB3 CYS 24 HB1 CYS 24 -2.466 1.759 6.063
157 H GLY 25 HN GLY 25 1.410 1.485 5.340
158 HA2 GLY 25 HA2 GLY 25 2.008 1.602 7.981
159 HA3 GLY 25 HA1 GLY 25 2.230 -0.095 7.619
160 H SER 26 HN SER 26 4.333 -0.545 7.413
161 HA SER 26 HA SER 26 5.983 1.196 5.717
162 HB2 SER 26 HB2 SER 26 6.718 0.242 8.479
163 HB3 SER 26 HB1 SER 26 7.865 0.951 7.344
164 HG SER 26 HG SER 26 7.144 2.847 7.874
165 H THR 27 HN THR 27 5.222 -1.960 6.851
166 HA THR 27 HA THR 27 7.534 -3.396 6.160
167 HB THR 27 HB THR 27 4.786 -4.581 5.907
168 HG1 THR 27 HG1 THR 27 4.403 -3.902 7.870
169 HG21 THR 27 HG21 THR 27 7.384 -5.640 7.032
170 HG22 THR 27 HG22 THR 27 6.666 -6.080 5.482
171 HG23 THR 27 HG23 THR 27 5.860 -6.526 6.986
172 H SER 28 HN SER 28 7.653 -5.057 4.380
173 HA SER 28 HA SER 28 7.405 -3.727 1.843
174 HB2 SER 28 HB2 SER 28 8.536 -6.404 2.627
175 HB3 SER 28 HB1 SER 28 8.603 -5.741 0.996
176 HG SER 28 HG SER 28 9.715 -3.912 1.959
177 H GLU 29 HN GLU 29 4.906 -3.963 2.469
178 HA GLU 29 HA GLU 29 3.829 -5.809 0.499
179 HB2 GLU 29 HB2 GLU 29 2.955 -5.809 3.400
180 HB3 GLU 29 HB1 GLU 29 1.930 -6.417 2.109
181 HG2 GLU 29 HG2 GLU 29 4.696 -7.487 2.541
182 HG3 GLU 29 HG1 GLU 29 3.317 -8.096 3.453
183 H TYR 30 HN TYR 30 3.289 -3.334 2.884
184 HA TYR 30 HA TYR 30 1.185 -2.075 1.319
185 HB2 TYR 30 HB2 TYR 30 1.835 -0.525 3.619
186 HB3 TYR 30 HB1 TYR 30 0.366 -1.437 3.309
187 HD1 TYR 30 HD1 TYR 30 0.811 -4.162 3.712
188 HD2 TYR 30 HD2 TYR 30 2.858 -0.960 5.628
189 HE1 TYR 30 HE1 TYR 30 1.331 -5.636 5.606
190 HE2 TYR 30 HE2 TYR 30 3.385 -2.429 7.522
191 HH TYR 30 HH TYR 30 2.990 -5.795 7.406
192 H CYS 31 HN CYS 31 4.452 -1.699 2.367
193 HA CYS 31 HA CYS 31 4.734 0.746 0.762
194 HB2 CYS 31 HB2 CYS 31 6.096 -0.099 3.314
195 HB3 CYS 31 HB1 CYS 31 6.837 1.082 2.239
196 H SER 32 HN SER 32 5.031 -0.461 -1.110
197 HA SER 32 HA SER 32 7.183 -2.396 -1.253
198 HB2 SER 32 HB2 SER 32 5.020 -1.457 -3.064
199 HB3 SER 32 HB1 SER 32 6.438 -2.209 -3.790
200 HG SER 32 HG SER 32 5.885 -3.806 -1.879
201 H ARG 33 HN ARG 33 9.190 -2.007 -1.759
202 HA ARG 33 HA ARG 33 9.934 0.572 -2.926
203 HB2 ARG 33 HB2 ARG 33 12.271 -0.052 -2.207
204 HB3 ARG 33 HB1 ARG 33 11.126 0.186 -0.900
205 HG2 ARG 33 HG2 ARG 33 10.902 -2.235 -0.640
206 HG3 ARG 33 HG1 ARG 33 12.025 -2.488 -1.977
207 HD2 ARG 33 HD2 ARG 33 13.303 -2.749 -0.013
208 HD3 ARG 33 HD1 ARG 33 13.708 -1.151 -0.635
209 HE ARG 33 HE ARG 33 11.612 -0.875 1.200
210 HH11 ARG 33 HH11 ARG 33 15.014 -1.746 1.221
211 HH12 ARG 33 HH12 ARG 33 15.266 -1.184 2.840
212 HH21 ARG 33 HH21 ARG 33 11.965 -0.146 3.317
213 HH22 ARG 33 HH22 ARG 33 13.541 -0.280 4.025
214 H ALA 34 HN ALA 34 10.043 -2.847 -3.460
215 HA ALA 34 HA ALA 34 11.480 -2.519 -5.992
216 HB1 ALA 34 HB1 ALA 34 10.791 -5.046 -4.501
217 HB2 ALA 34 HB2 ALA 34 12.349 -4.222 -4.462
218 HB3 ALA 34 HB3 ALA 34 11.768 -4.937 -5.965
219 H ASN 35 HN ASN 35 8.416 -3.395 -4.621
220 HA ASN 35 HA ASN 35 7.324 -4.189 -7.211
221 HB2 ASN 35 HB2 ASN 35 6.242 -4.354 -4.399
222 HB3 ASN 35 HB1 ASN 35 5.225 -4.649 -5.805
223 HD21 ASN 35 HD21 ASN 35 7.888 -5.791 -3.894
224 HD22 ASN 35 HD22 ASN 35 7.949 -7.383 -4.563
225 H GLY 36 HN GLY 36 7.514 -1.445 -5.182
226 HA2 GLY 36 HA2 GLY 36 6.958 0.735 -5.884
227 HA3 GLY 36 HA1 GLY 36 5.810 0.056 -7.022
228 H CYS 37 HN CYS 37 6.095 1.815 -4.258
229 HA CYS 37 HA CYS 37 3.692 0.860 -2.930
230 HB2 CYS 37 HB2 CYS 37 4.180 2.988 -1.478
231 HB3 CYS 37 HB1 CYS 37 5.241 1.594 -1.339
232 H GLN 38 HN GLN 38 2.046 2.731 -2.257
233 HA GLN 38 HA GLN 38 1.412 4.158 -4.765
234 HB2 GLN 38 HB2 GLN 38 -0.653 3.289 -2.753
235 HB3 GLN 38 HB1 GLN 38 -0.893 3.755 -4.430
236 HG2 GLN 38 HG2 GLN 38 0.678 1.312 -3.677
237 HG3 GLN 38 HG1 GLN 38 -1.078 1.280 -3.836
238 HE21 GLN 38 HE21 GLN 38 1.946 1.602 -5.509
239 HE22 GLN 38 HE22 GLN 38 1.321 1.400 -7.107
240 H SER 39 HN SER 39 0.698 4.315 -1.265
241 HA SER 39 HA SER 39 0.068 7.105 -1.351
242 HB2 SER 39 HB2 SER 39 0.105 4.925 0.628
243 HB3 SER 39 HB1 SER 39 0.343 6.543 1.288
244 HG SER 39 HG SER 39 -1.839 5.580 -0.238
245 H ASN 40 HN ASN 40 1.176 8.353 0.730
246 HA ASN 40 HA ASN 40 3.692 9.181 -0.185
247 HB2 ASN 40 HB2 ASN 40 1.935 10.364 1.359
248 HB3 ASN 40 HB1 ASN 40 2.862 9.624 2.662
249 HD21 ASN 40 HD21 ASN 40 4.978 10.288 3.029
250 HD22 ASN 40 HD22 ASN 40 5.604 11.761 2.377
251 H CYS 41 HN CYS 41 5.026 7.441 -0.410
252 HA CYS 41 HA CYS 41 6.024 6.164 2.052
253 HB2 CYS 41 HB2 CYS 41 6.934 4.429 0.392
254 HB3 CYS 41 HB1 CYS 41 5.184 4.475 0.594
255 H ARG 42 HN ARG 42 8.177 6.191 2.526
256 HA ARG 42 HA ARG 42 10.340 6.859 2.608
257 HB2 ARG 42 HB2 ARG 42 9.932 6.612 -0.342
258 HB3 ARG 42 HB1 ARG 42 11.398 7.389 0.229
259 HG2 ARG 42 HG2 ARG 42 12.040 5.181 -0.048
260 HG3 ARG 42 HG1 ARG 42 11.706 5.280 1.679
261 HD2 ARG 42 HD2 ARG 42 9.633 4.348 -0.293
262 HD3 ARG 42 HD1 ARG 42 10.815 3.245 0.408
263 HE ARG 42 HE ARG 42 9.282 4.826 2.298
264 HH11 ARG 42 HH11 ARG 42 9.561 1.748 0.629
265 HH12 ARG 42 HH12 ARG 42 8.565 0.909 1.771
266 HH21 ARG 42 HH21 ARG 42 7.984 3.707 3.780
267 HH22 ARG 42 HH22 ARG 42 7.674 2.018 3.553
268 H GLY 43 HN GLY 43 7.985 8.897 2.245
269 HA2 GLY 43 HA2 GLY 43 8.180 11.162 3.005
270 HA3 GLY 43 HA1 GLY 43 9.747 11.255 2.217
Start of MODEL 4
1 H1 GLN 1 HT1 GLN 1 -6.865 0.549 10.801
2 H2 GLN 1 HT2 GLN 1 -7.503 -0.943 10.328
3 H3 GLN 1 HT3 GLN 1 -8.336 0.485 9.969
4 HA GLN 1 HA GLN 1 -5.687 -0.285 8.892
5 HB2 GLN 1 HB2 GLN 1 -8.461 -0.343 7.697
6 HB3 GLN 1 HB1 GLN 1 -7.011 -0.340 6.702
7 HG2 GLN 1 HG2 GLN 1 -6.281 -2.417 7.756
8 HG3 GLN 1 HG1 GLN 1 -7.731 -2.419 8.759
9 HE21 GLN 1 HE21 GLN 1 -9.722 -2.876 7.820
10 HE22 GLN 1 HE22 GLN 1 -9.856 -3.624 6.268
11 H ASN 2 HN ASN 2 -4.725 1.185 7.509
12 HA ASN 2 HA ASN 2 -5.600 3.956 7.834
13 HB2 ASN 2 HB2 ASN 2 -2.992 2.767 6.852
14 HB3 ASN 2 HB1 ASN 2 -3.327 4.492 6.815
15 HD21 ASN 2 HD21 ASN 2 -2.688 1.733 8.827
16 HD22 ASN 2 HD22 ASN 2 -2.360 2.610 10.278
17 H CYS 3 HN CYS 3 -5.256 1.475 5.455
18 HA CYS 3 HA CYS 3 -6.557 3.166 3.442
19 HB2 CYS 3 HB2 CYS 3 -4.007 1.614 3.031
20 HB3 CYS 3 HB1 CYS 3 -4.960 2.296 1.720
21 H GLY 4 HN GLY 4 -6.474 1.471 1.314
22 HA2 GLY 4 HA2 GLY 4 -6.735 -1.003 0.976
23 HA3 GLY 4 HA1 GLY 4 -7.858 -0.929 2.322
24 H ARG 5 HN ARG 5 -8.688 -2.073 0.100
25 HA ARG 5 HA ARG 5 -10.149 -0.161 -1.503
26 HB2 ARG 5 HB2 ARG 5 -10.998 -2.250 -2.698
27 HB3 ARG 5 HB1 ARG 5 -9.266 -1.985 -2.775
28 HG2 ARG 5 HG2 ARG 5 -8.947 -3.659 -0.997
29 HG3 ARG 5 HG1 ARG 5 -10.690 -3.936 -0.967
30 HD2 ARG 5 HD2 ARG 5 -10.619 -4.652 -3.301
31 HD3 ARG 5 HD1 ARG 5 -8.882 -4.354 -3.346
32 HE ARG 5 HE ARG 5 -9.542 -6.156 -1.258
33 HH11 ARG 5 HH11 ARG 5 -9.168 -6.042 -4.748
34 HH12 ARG 5 HH12 ARG 5 -8.779 -7.725 -4.876
35 HH21 ARG 5 HH21 ARG 5 -9.029 -8.355 -1.449
36 HH22 ARG 5 HH22 ARG 5 -8.701 -9.032 -3.009
37 H GLN 6 HN GLN 6 -10.564 -1.264 1.470
38 HA GLN 6 HA GLN 6 -13.491 -1.561 1.325
39 HB2 GLN 6 HB2 GLN 6 -11.635 -2.459 3.537
40 HB3 GLN 6 HB1 GLN 6 -13.373 -2.701 3.492
41 HG2 GLN 6 HG2 GLN 6 -13.033 -4.073 1.424
42 HG3 GLN 6 HG1 GLN 6 -11.299 -3.958 1.718
43 HE21 GLN 6 HE21 GLN 6 -14.314 -5.290 2.815
44 HE22 GLN 6 HE22 GLN 6 -13.639 -6.443 3.910
45 H ALA 7 HN ALA 7 -10.848 0.174 2.752
46 HA ALA 7 HA ALA 7 -12.438 1.621 4.677
47 HB1 ALA 7 HB1 ALA 7 -9.591 2.080 3.784
48 HB2 ALA 7 HB2 ALA 7 -10.096 1.057 5.130
49 HB3 ALA 7 HB3 ALA 7 -10.368 2.798 5.196
50 H GLY 8 HN GLY 8 -12.436 1.827 1.455
51 HA2 GLY 8 HA2 GLY 8 -13.632 3.493 0.263
52 HA3 GLY 8 HA1 GLY 8 -13.152 4.671 1.475
53 H ASN 9 HN ASN 9 -10.862 2.443 0.051
54 HA ASN 9 HA ASN 9 -8.928 2.732 -1.098
55 HB2 ASN 9 HB2 ASN 9 -10.750 4.546 -2.693
56 HB3 ASN 9 HB1 ASN 9 -9.114 4.143 -3.202
57 HD21 ASN 9 HD21 ASN 9 -12.338 2.957 -2.706
58 HD22 ASN 9 HD22 ASN 9 -12.147 1.477 -3.575
59 H ARG 10 HN ARG 10 -9.068 4.255 1.239
60 HA ARG 10 HA ARG 10 -8.128 6.935 0.789
61 HB2 ARG 10 HB2 ARG 10 -8.391 5.210 3.246
62 HB3 ARG 10 HB1 ARG 10 -7.660 6.807 3.307
63 HG2 ARG 10 HG2 ARG 10 -9.737 7.790 2.467
64 HG3 ARG 10 HG1 ARG 10 -10.470 6.185 2.418
65 HD2 ARG 10 HD2 ARG 10 -10.160 5.972 4.835
66 HD3 ARG 10 HD1 ARG 10 -9.423 7.573 4.884
67 HE ARG 10 HE ARG 10 -11.965 7.771 3.708
68 HH11 ARG 10 HH11 ARG 10 -10.542 7.158 6.860
69 HH12 ARG 10 HH12 ARG 10 -11.904 7.788 7.725
70 HH21 ARG 10 HH21 ARG 10 -13.710 8.598 6.594
71 HH22 ARG 10 HH22 ARG 10 -13.737 8.590 4.861
72 H ALA 11 HN ALA 11 -6.064 7.749 1.579
73 HA ALA 11 HA ALA 11 -3.874 5.828 1.124
74 HB1 ALA 11 HB1 ALA 11 -4.062 8.781 0.571
75 HB2 ALA 11 HB2 ALA 11 -3.889 7.469 -0.595
76 HB3 ALA 11 HB3 ALA 11 -2.556 7.870 0.488
77 H CYS 12 HN CYS 12 -1.876 6.126 2.351
78 HA CYS 12 HA CYS 12 -2.447 6.930 5.106
79 HB2 CYS 12 HB2 CYS 12 -0.017 5.611 3.878
80 HB3 CYS 12 HB1 CYS 12 -0.181 5.975 5.593
81 H ALA 13 HN ALA 13 -2.040 8.918 5.856
82 HA ALA 13 HA ALA 13 0.205 10.427 4.708
83 HB1 ALA 13 HB1 ALA 13 -1.107 12.455 4.559
84 HB2 ALA 13 HB2 ALA 13 -2.529 11.604 5.162
85 HB3 ALA 13 HB3 ALA 13 -1.842 11.173 3.596
86 H ASN 14 HN ASN 14 1.167 9.616 6.720
87 HA ASN 14 HA ASN 14 1.090 11.653 8.763
88 HB2 ASN 14 HB2 ASN 14 0.292 8.805 9.368
89 HB3 ASN 14 HB1 ASN 14 0.986 9.846 10.606
90 HD21 ASN 14 HD21 ASN 14 -0.191 11.606 11.358
91 HD22 ASN 14 HD22 ASN 14 -1.891 11.754 11.088
92 H GLN 15 HN GLN 15 2.220 8.343 8.462
93 HA GLN 15 HA GLN 15 4.981 9.077 8.059
94 HB2 GLN 15 HB2 GLN 15 4.045 7.779 10.617
95 HB3 GLN 15 HB1 GLN 15 5.670 7.509 10.003
96 HG2 GLN 15 HG2 GLN 15 6.112 9.908 10.109
97 HG3 GLN 15 HG1 GLN 15 4.481 10.180 10.720
98 HE21 GLN 15 HE21 GLN 15 7.647 8.946 11.438
99 HE22 GLN 15 HE22 GLN 15 7.439 8.832 13.150
100 H LEU 16 HN LEU 16 2.489 6.731 8.538
101 HA LEU 16 HA LEU 16 3.808 4.421 7.595
102 HB2 LEU 16 HB2 LEU 16 0.961 5.223 8.081
103 HB3 LEU 16 HB1 LEU 16 1.327 3.686 7.325
104 HG LEU 16 HG LEU 16 2.839 3.322 9.383
105 HD11 LEU 16 HD11 LEU 16 2.668 5.569 10.309
106 HD12 LEU 16 HD12 LEU 16 1.994 4.387 11.430
107 HD13 LEU 16 HD13 LEU 16 0.920 5.388 10.453
108 HD21 LEU 16 HD21 LEU 16 -0.164 3.227 9.556
109 HD22 LEU 16 HD22 LEU 16 0.945 2.328 10.592
110 HD23 LEU 16 HD23 LEU 16 0.884 1.989 8.862
111 H CYS 17 HN CYS 17 2.789 3.112 5.806
112 HA CYS 17 HA CYS 17 1.953 4.637 3.476
113 HB2 CYS 17 HB2 CYS 17 3.827 3.132 2.201
114 HB3 CYS 17 HB1 CYS 17 4.119 4.784 2.729
115 H CYS 18 HN CYS 18 0.663 3.573 2.113
116 HA CYS 18 HA CYS 18 0.218 0.700 2.656
117 HB2 CYS 18 HB2 CYS 18 -2.187 1.215 2.075
118 HB3 CYS 18 HB1 CYS 18 -1.611 1.924 3.579
119 H SER 19 HN SER 19 -1.443 -0.150 1.004
120 HA SER 19 HA SER 19 -0.840 0.582 -1.763
121 HB2 SER 19 HB2 SER 19 -0.647 -1.894 -2.303
122 HB3 SER 19 HB1 SER 19 0.690 -1.259 -1.345
123 HG SER 19 HG SER 19 0.200 -2.734 0.052
124 H GLN 20 HN GLN 20 -2.391 -0.556 -3.307
125 HA GLN 20 HA GLN 20 -5.075 -0.178 -2.406
126 HB2 GLN 20 HB2 GLN 20 -3.915 -1.223 -4.993
127 HB3 GLN 20 HB1 GLN 20 -5.648 -1.107 -4.719
128 HG2 GLN 20 HG2 GLN 20 -5.436 1.302 -4.381
129 HG3 GLN 20 HG1 GLN 20 -3.697 1.187 -4.646
130 HE21 GLN 20 HE21 GLN 20 -2.920 0.791 -6.719
131 HE22 GLN 20 HE22 GLN 20 -3.903 1.003 -8.124
132 H TYR 21 HN TYR 21 -5.295 -1.593 -0.689
133 HA TYR 21 HA TYR 21 -6.363 -4.154 -1.221
134 HB2 TYR 21 HB2 TYR 21 -4.157 -5.020 -1.486
135 HB3 TYR 21 HB1 TYR 21 -3.536 -4.064 -0.151
136 HD1 TYR 21 HD1 TYR 21 -3.598 -4.897 2.096
137 HD2 TYR 21 HD2 TYR 21 -5.524 -7.042 -1.027
138 HE1 TYR 21 HE1 TYR 21 -3.853 -6.835 3.589
139 HE2 TYR 21 HE2 TYR 21 -5.789 -8.985 0.454
140 HH TYR 21 HH TYR 21 -5.293 -8.818 3.805
141 H GLY 22 HN GLY 22 -4.444 -2.841 1.424
142 HA2 GLY 22 HA2 GLY 22 -6.124 -1.690 3.118
143 HA3 GLY 22 HA1 GLY 22 -6.577 -3.373 3.332
144 H PHE 23 HN PHE 23 -3.287 -2.351 2.653
145 HA PHE 23 HA PHE 23 -2.614 -2.865 5.450
146 HB2 PHE 23 HB2 PHE 23 -1.998 -4.682 3.574
147 HB3 PHE 23 HB1 PHE 23 -0.588 -3.645 3.425
148 HD1 PHE 23 HD1 PHE 23 -0.217 -2.872 6.320
149 HD2 PHE 23 HD2 PHE 23 -1.110 -6.618 4.495
150 HE1 PHE 23 HE1 PHE 23 0.791 -4.043 8.232
151 HE2 PHE 23 HE2 PHE 23 -0.104 -7.788 6.407
152 HZ PHE 23 HZ PHE 23 0.847 -6.503 8.279
153 H CYS 24 HN CYS 24 -1.418 -1.417 6.396
154 HA CYS 24 HA CYS 24 0.284 0.396 4.836
155 HB2 CYS 24 HB2 CYS 24 -1.954 1.410 5.580
156 HB3 CYS 24 HB1 CYS 24 -1.315 1.311 7.216
157 H GLY 25 HN GLY 25 2.202 1.003 5.823
158 HA2 GLY 25 HA2 GLY 25 2.881 0.827 8.500
159 HA3 GLY 25 HA1 GLY 25 3.217 -0.756 7.821
160 H SER 26 HN SER 26 5.344 -0.902 7.671
161 HA SER 26 HA SER 26 6.801 1.151 6.150
162 HB2 SER 26 HB2 SER 26 7.625 -0.072 8.784
163 HB3 SER 26 HB1 SER 26 8.733 0.810 7.734
164 HG SER 26 HG SER 26 8.008 2.409 8.951
165 H THR 27 HN THR 27 6.169 -2.131 6.795
166 HA THR 27 HA THR 27 8.568 -3.343 5.929
167 HB THR 27 HB THR 27 5.874 -4.636 5.674
168 HG1 THR 27 HG1 THR 27 5.595 -4.250 7.728
169 HG21 THR 27 HG21 THR 27 8.567 -5.717 6.520
170 HG22 THR 27 HG22 THR 27 7.807 -5.961 4.947
171 HG23 THR 27 HG23 THR 27 7.075 -6.651 6.394
172 H SER 28 HN SER 28 8.840 -4.673 3.987
173 HA SER 28 HA SER 28 8.238 -3.154 1.618
174 HB2 SER 28 HB2 SER 28 9.804 -5.704 2.019
175 HB3 SER 28 HB1 SER 28 9.687 -4.830 0.493
176 HG SER 28 HG SER 28 11.062 -4.171 2.829
177 H GLU 29 HN GLU 29 5.887 -3.599 2.049
178 HA GLU 29 HA GLU 29 4.924 -5.550 0.147
179 HB2 GLU 29 HB2 GLU 29 4.244 -5.766 3.088
180 HB3 GLU 29 HB1 GLU 29 3.164 -6.378 1.846
181 HG2 GLU 29 HG2 GLU 29 6.026 -7.263 2.022
182 HG3 GLU 29 HG1 GLU 29 4.753 -8.026 2.972
183 H TYR 30 HN TYR 30 4.410 -3.092 2.508
184 HA TYR 30 HA TYR 30 2.087 -2.042 1.048
185 HB2 TYR 30 HB2 TYR 30 2.213 -0.772 3.554
186 HB3 TYR 30 HB1 TYR 30 1.056 -1.992 3.048
187 HD1 TYR 30 HD1 TYR 30 3.576 -1.174 5.411
188 HD2 TYR 30 HD2 TYR 30 1.823 -4.491 3.396
189 HE1 TYR 30 HE1 TYR 30 4.366 -2.675 7.187
190 HE2 TYR 30 HE2 TYR 30 2.610 -5.993 5.166
191 HH TYR 30 HH TYR 30 4.361 -6.052 6.884
192 H CYS 31 HN CYS 31 5.341 -1.573 1.510
193 HA CYS 31 HA CYS 31 5.122 1.265 0.818
194 HB2 CYS 31 HB2 CYS 31 7.161 0.158 2.755
195 HB3 CYS 31 HB1 CYS 31 6.985 1.842 2.271
196 H SER 32 HN SER 32 5.747 -1.347 -0.648
197 HA SER 32 HA SER 32 8.446 -0.795 -1.639
198 HB2 SER 32 HB2 SER 32 6.552 -3.107 -2.109
199 HB3 SER 32 HB1 SER 32 8.113 -2.941 -2.915
200 HG SER 32 HG SER 32 8.679 -4.063 -1.190
201 H ARG 33 HN ARG 33 8.875 -0.043 -3.661
202 HA ARG 33 HA ARG 33 6.719 1.211 -5.086
203 HB2 ARG 33 HB2 ARG 33 8.520 2.060 -6.584
204 HB3 ARG 33 HB1 ARG 33 8.736 2.449 -4.888
205 HG2 ARG 33 HG2 ARG 33 10.406 0.664 -4.692
206 HG3 ARG 33 HG1 ARG 33 10.189 0.280 -6.401
207 HD2 ARG 33 HD2 ARG 33 10.934 2.535 -6.998
208 HD3 ARG 33 HD1 ARG 33 11.152 2.913 -5.289
209 HE ARG 33 HE ARG 33 12.650 0.624 -5.902
210 HH11 ARG 33 HH11 ARG 33 12.688 4.066 -6.600
211 HH12 ARG 33 HH12 ARG 33 14.406 4.119 -6.817
212 HH21 ARG 33 HH21 ARG 33 14.897 0.718 -6.191
213 HH22 ARG 33 HH22 ARG 33 15.654 2.225 -6.586
214 H ALA 34 HN ALA 34 6.311 -1.491 -5.118
215 HA ALA 34 HA ALA 34 6.283 -2.055 -7.977
216 HB1 ALA 34 HB1 ALA 34 6.989 -4.370 -7.674
217 HB2 ALA 34 HB2 ALA 34 7.223 -4.082 -5.951
218 HB3 ALA 34 HB3 ALA 34 8.246 -3.260 -7.128
219 H ASN 35 HN ASN 35 5.210 -2.914 -4.756
220 HA ASN 35 HA ASN 35 2.483 -3.327 -5.709
221 HB2 ASN 35 HB2 ASN 35 4.083 -5.431 -4.247
222 HB3 ASN 35 HB1 ASN 35 2.323 -5.431 -4.269
223 HD21 ASN 35 HD21 ASN 35 1.241 -5.870 -6.191
224 HD22 ASN 35 HD22 ASN 35 2.030 -6.607 -7.539
225 H GLY 36 HN GLY 36 4.701 -2.326 -3.335
226 HA2 GLY 36 HA2 GLY 36 2.752 -2.230 -1.168
227 HA3 GLY 36 HA1 GLY 36 4.448 -1.819 -1.055
228 H CYS 37 HN CYS 37 5.148 0.240 -1.877
229 HA CYS 37 HA CYS 37 3.532 2.388 -1.092
230 HB2 CYS 37 HB2 CYS 37 5.851 2.722 -0.985
231 HB3 CYS 37 HB1 CYS 37 6.104 2.167 -2.631
232 H GLN 38 HN GLN 38 1.583 2.560 -2.077
233 HA GLN 38 HA GLN 38 1.605 3.170 -4.971
234 HB2 GLN 38 HB2 GLN 38 -0.771 1.961 -3.562
235 HB3 GLN 38 HB1 GLN 38 -0.490 2.104 -5.289
236 HG2 GLN 38 HG2 GLN 38 1.534 0.557 -4.829
237 HG3 GLN 38 HG1 GLN 38 0.677 0.173 -3.340
238 HE21 GLN 38 HE21 GLN 38 0.631 -0.032 -6.813
239 HE22 GLN 38 HE22 GLN 38 -0.622 -1.216 -6.930
240 H SER 39 HN SER 39 0.100 3.756 -1.825
241 HA SER 39 HA SER 39 -1.384 6.047 -2.801
242 HB2 SER 39 HB2 SER 39 -1.430 4.193 -0.588
243 HB3 SER 39 HB1 SER 39 -1.506 5.851 0.003
244 HG SER 39 HG SER 39 -3.585 4.988 -0.474
245 H ASN 40 HN ASN 40 -1.021 7.498 -0.202
246 HA ASN 40 HA ASN 40 1.194 9.132 -0.920
247 HB2 ASN 40 HB2 ASN 40 -0.737 9.059 1.368
248 HB3 ASN 40 HB1 ASN 40 0.694 10.077 1.484
249 HD21 ASN 40 HD21 ASN 40 -2.317 9.534 -0.159
250 HD22 ASN 40 HD22 ASN 40 -2.403 11.073 -0.940
251 H CYS 41 HN CYS 41 2.918 7.665 -0.997
252 HA CYS 41 HA CYS 41 3.973 6.838 1.624
253 HB2 CYS 41 HB2 CYS 41 5.188 5.043 0.170
254 HB3 CYS 41 HB1 CYS 41 3.485 4.809 0.552
255 H ARG 42 HN ARG 42 6.236 6.923 1.923
256 HA ARG 42 HA ARG 42 8.292 7.873 1.889
257 HB2 ARG 42 HB2 ARG 42 7.821 7.622 -1.076
258 HB3 ARG 42 HB1 ARG 42 9.316 8.287 -0.435
259 HG2 ARG 42 HG2 ARG 42 10.092 6.203 -0.336
260 HG3 ARG 42 HG1 ARG 42 8.940 5.903 0.964
261 HD2 ARG 42 HD2 ARG 42 8.598 4.204 -0.649
262 HD3 ARG 42 HD1 ARG 42 7.251 5.328 -0.811
263 HE ARG 42 HE ARG 42 8.488 6.267 -2.757
264 HH11 ARG 42 HH11 ARG 42 9.122 2.955 -1.768
265 HH12 ARG 42 HH12 ARG 42 9.655 2.467 -3.343
266 HH21 ARG 42 HH21 ARG 42 9.192 5.604 -4.807
267 HH22 ARG 42 HH22 ARG 42 9.694 3.966 -5.059
268 H GLY 43 HN GLY 43 5.742 9.633 1.631
269 HA2 GLY 43 HA2 GLY 43 5.700 11.935 2.233
270 HA3 GLY 43 HA1 GLY 43 7.228 12.155 1.394
Start of MODEL 5
1 H1 GLN 1 HT1 GLN 1 -2.998 -1.984 10.147
2 H2 GLN 1 HT2 GLN 1 -4.131 -0.920 10.813
3 H3 GLN 1 HT3 GLN 1 -2.530 -0.421 10.596
4 HA GLN 1 HA GLN 1 -2.733 -0.549 8.232
5 HB2 GLN 1 HB2 GLN 1 -4.998 -0.951 7.214
6 HB3 GLN 1 HB1 GLN 1 -4.312 -2.367 7.986
7 HG2 GLN 1 HG2 GLN 1 -6.241 -0.640 9.486
8 HG3 GLN 1 HG1 GLN 1 -6.827 -1.799 8.295
9 HE21 GLN 1 HE21 GLN 1 -5.423 -1.360 11.415
10 HE22 GLN 1 HE22 GLN 1 -5.522 -3.006 11.928
11 H ASN 2 HN ASN 2 -3.463 1.231 6.986
12 HA ASN 2 HA ASN 2 -4.867 3.331 8.492
13 HB2 ASN 2 HB2 ASN 2 -2.123 3.374 7.759
14 HB3 ASN 2 HB1 ASN 2 -2.944 4.526 6.714
15 HD21 ASN 2 HD21 ASN 2 -3.952 6.317 7.621
16 HD22 ASN 2 HD22 ASN 2 -3.620 6.840 9.233
17 H CYS 3 HN CYS 3 -4.431 1.635 5.538
18 HA CYS 3 HA CYS 3 -6.689 2.823 4.298
19 HB2 CYS 3 HB2 CYS 3 -5.583 4.689 3.576
20 HB3 CYS 3 HB1 CYS 3 -4.012 3.931 3.702
21 H GLY 4 HN GLY 4 -6.576 2.192 1.768
22 HA2 GLY 4 HA2 GLY 4 -5.471 0.415 0.342
23 HA3 GLY 4 HA1 GLY 4 -5.801 -0.652 1.691
24 H ARG 5 HN ARG 5 -6.958 -1.907 -0.002
25 HA ARG 5 HA ARG 5 -9.450 -0.751 -0.930
26 HB2 ARG 5 HB2 ARG 5 -9.742 -2.875 -2.205
27 HB3 ARG 5 HB1 ARG 5 -8.229 -2.065 -2.564
28 HG2 ARG 5 HG2 ARG 5 -6.996 -3.658 -1.263
29 HG3 ARG 5 HG1 ARG 5 -8.485 -4.395 -0.669
30 HD2 ARG 5 HD2 ARG 5 -7.694 -5.820 -2.376
31 HD3 ARG 5 HD1 ARG 5 -9.033 -4.919 -3.082
32 HE ARG 5 HE ARG 5 -6.620 -3.574 -3.621
33 HH11 ARG 5 HH11 ARG 5 -8.319 -6.494 -4.583
34 HH12 ARG 5 HH12 ARG 5 -7.579 -6.546 -6.149
35 HH21 ARG 5 HH21 ARG 5 -5.665 -3.663 -5.675
36 HH22 ARG 5 HH22 ARG 5 -6.078 -4.944 -6.765
37 H GLN 6 HN GLN 6 -8.728 -1.745 1.954
38 HA GLN 6 HA GLN 6 -11.207 -3.277 2.394
39 HB2 GLN 6 HB2 GLN 6 -8.577 -3.361 3.856
40 HB3 GLN 6 HB1 GLN 6 -10.055 -3.993 4.566
41 HG2 GLN 6 HG2 GLN 6 -10.286 -5.511 2.624
42 HG3 GLN 6 HG1 GLN 6 -8.729 -4.933 2.034
43 HE21 GLN 6 HE21 GLN 6 -6.851 -5.525 3.111
44 HE22 GLN 6 HE22 GLN 6 -6.812 -6.816 4.259
45 H ALA 7 HN ALA 7 -9.394 -0.469 3.226
46 HA ALA 7 HA ALA 7 -11.061 0.211 5.517
47 HB1 ALA 7 HB1 ALA 7 -8.651 0.640 5.609
48 HB2 ALA 7 HB2 ALA 7 -9.580 2.129 5.773
49 HB3 ALA 7 HB3 ALA 7 -8.797 1.743 4.241
50 H GLY 8 HN GLY 8 -11.450 0.421 2.265
51 HA2 GLY 8 HA2 GLY 8 -13.364 1.447 1.279
52 HA3 GLY 8 HA1 GLY 8 -13.284 2.706 2.504
53 H ASN 9 HN ASN 9 -10.438 1.618 0.815
54 HA ASN 9 HA ASN 9 -8.897 2.648 -0.469
55 HB2 ASN 9 HB2 ASN 9 -11.405 3.621 -1.853
56 HB3 ASN 9 HB1 ASN 9 -9.787 3.893 -2.493
57 HD21 ASN 9 HD21 ASN 9 -8.598 2.148 -3.266
58 HD22 ASN 9 HD22 ASN 9 -9.334 0.633 -3.644
59 H ARG 10 HN ARG 10 -8.379 3.847 1.513
60 HA ARG 10 HA ARG 10 -8.904 6.731 1.339
61 HB2 ARG 10 HB2 ARG 10 -7.908 4.941 3.558
62 HB3 ARG 10 HB1 ARG 10 -7.772 6.691 3.656
63 HG2 ARG 10 HG2 ARG 10 -10.208 6.882 3.432
64 HG3 ARG 10 HG1 ARG 10 -10.329 5.123 3.376
65 HD2 ARG 10 HD2 ARG 10 -9.353 4.981 5.612
66 HD3 ARG 10 HD1 ARG 10 -9.212 6.738 5.667
67 HE ARG 10 HE ARG 10 -11.890 5.970 5.156
68 HH11 ARG 10 HH11 ARG 10 -9.562 6.129 7.781
69 HH12 ARG 10 HH12 ARG 10 -10.779 6.280 9.004
70 HH21 ARG 10 HH21 ARG 10 -12.986 6.303 8.434
71 HH22 ARG 10 HH22 ARG 10 -13.465 6.169 6.774
72 H ALA 11 HN ALA 11 -6.518 7.559 2.750
73 HA ALA 11 HA ALA 11 -4.265 6.643 1.153
74 HB1 ALA 11 HB1 ALA 11 -5.107 9.540 1.098
75 HB2 ALA 11 HB2 ALA 11 -5.252 8.400 -0.241
76 HB3 ALA 11 HB3 ALA 11 -3.658 8.861 0.356
77 H CYS 12 HN CYS 12 -2.289 6.947 2.121
78 HA CYS 12 HA CYS 12 -2.358 8.024 4.860
79 HB2 CYS 12 HB2 CYS 12 -0.245 6.256 3.603
80 HB3 CYS 12 HB1 CYS 12 -0.410 6.661 5.309
81 H ALA 13 HN ALA 13 -1.336 9.865 5.342
82 HA ALA 13 HA ALA 13 0.782 10.847 3.553
83 HB1 ALA 13 HB1 ALA 13 -0.164 13.076 3.523
84 HB2 ALA 13 HB2 ALA 13 -1.517 12.535 4.515
85 HB3 ALA 13 HB3 ALA 13 -1.315 11.906 2.880
86 H ASN 14 HN ASN 14 0.114 9.982 6.625
87 HA ASN 14 HA ASN 14 1.393 12.193 7.992
88 HB2 ASN 14 HB2 ASN 14 0.266 9.580 8.981
89 HB3 ASN 14 HB1 ASN 14 1.089 10.724 10.035
90 HD21 ASN 14 HD21 ASN 14 0.113 12.691 10.510
91 HD22 ASN 14 HD22 ASN 14 -1.568 12.972 10.228
92 H GLN 15 HN GLN 15 2.045 8.722 8.141
93 HA GLN 15 HA GLN 15 4.880 9.149 7.626
94 HB2 GLN 15 HB2 GLN 15 3.801 7.980 10.186
95 HB3 GLN 15 HB1 GLN 15 5.426 7.628 9.618
96 HG2 GLN 15 HG2 GLN 15 5.967 10.010 9.689
97 HG3 GLN 15 HG1 GLN 15 4.337 10.360 10.261
98 HE21 GLN 15 HE21 GLN 15 3.758 9.797 12.360
99 HE22 GLN 15 HE22 GLN 15 4.935 9.420 13.567
100 H LEU 16 HN LEU 16 2.247 6.938 8.217
101 HA LEU 16 HA LEU 16 3.403 4.537 7.385
102 HB2 LEU 16 HB2 LEU 16 0.595 5.556 7.575
103 HB3 LEU 16 HB1 LEU 16 0.923 3.968 6.913
104 HG LEU 16 HG LEU 16 2.175 3.523 9.086
105 HD11 LEU 16 HD11 LEU 16 2.292 5.805 9.923
106 HD12 LEU 16 HD12 LEU 16 1.403 4.778 11.049
107 HD13 LEU 16 HD13 LEU 16 0.531 5.882 9.984
108 HD21 LEU 16 HD21 LEU 16 -0.073 2.613 8.403
109 HD22 LEU 16 HD22 LEU 16 -0.781 3.889 9.395
110 HD23 LEU 16 HD23 LEU 16 0.247 2.665 10.134
111 H CYS 17 HN CYS 17 2.342 3.237 5.553
112 HA CYS 17 HA CYS 17 2.000 4.799 3.131
113 HB2 CYS 17 HB2 CYS 17 3.665 2.855 2.136
114 HB3 CYS 17 HB1 CYS 17 4.162 4.495 2.535
115 H CYS 18 HN CYS 18 0.438 4.186 2.005
116 HA CYS 18 HA CYS 18 -0.816 1.593 2.467
117 HB2 CYS 18 HB2 CYS 18 -2.163 3.602 2.771
118 HB3 CYS 18 HB1 CYS 18 -1.823 4.099 1.126
119 H SER 19 HN SER 19 -1.647 0.334 0.815
120 HA SER 19 HA SER 19 -0.848 0.836 -1.940
121 HB2 SER 19 HB2 SER 19 0.100 -1.449 -2.206
122 HB3 SER 19 HB1 SER 19 1.027 -0.504 -1.042
123 HG SER 19 HG SER 19 0.079 -2.837 -0.626
124 H GLN 20 HN GLN 20 -1.926 -0.756 -3.461
125 HA GLN 20 HA GLN 20 -4.690 -1.016 -2.776
126 HB2 GLN 20 HB2 GLN 20 -3.085 -1.859 -5.188
127 HB3 GLN 20 HB1 GLN 20 -4.797 -2.223 -5.038
128 HG2 GLN 20 HG2 GLN 20 -5.226 0.215 -4.785
129 HG3 GLN 20 HG1 GLN 20 -3.520 0.499 -5.128
130 HE21 GLN 20 HE21 GLN 20 -2.732 0.117 -7.202
131 HE22 GLN 20 HE22 GLN 20 -3.779 -0.033 -8.569
132 H TYR 21 HN TYR 21 -4.624 -2.331 -0.935
133 HA TYR 21 HA TYR 21 -4.879 -5.146 -1.422
134 HB2 TYR 21 HB2 TYR 21 -2.531 -5.304 -1.189
135 HB3 TYR 21 HB1 TYR 21 -2.486 -4.090 0.077
136 HD1 TYR 21 HD1 TYR 21 -3.849 -7.527 -0.532
137 HD2 TYR 21 HD2 TYR 21 -2.138 -4.801 2.252
138 HE1 TYR 21 HE1 TYR 21 -3.773 -9.313 1.155
139 HE2 TYR 21 HE2 TYR 21 -2.060 -6.582 3.947
140 HH TYR 21 HH TYR 21 -3.181 -8.708 4.443
141 H GLY 22 HN GLY 22 -4.717 -2.492 0.829
142 HA2 GLY 22 HA2 GLY 22 -6.761 -2.126 2.197
143 HA3 GLY 22 HA1 GLY 22 -6.717 -3.845 2.532
144 H PHE 23 HN PHE 23 -3.605 -2.514 2.432
145 HA PHE 23 HA PHE 23 -3.593 -2.065 5.325
146 HB2 PHE 23 HB2 PHE 23 -2.725 -4.400 4.400
147 HB3 PHE 23 HB1 PHE 23 -1.254 -3.471 4.152
148 HD1 PHE 23 HD1 PHE 23 -3.145 -5.370 6.444
149 HD2 PHE 23 HD2 PHE 23 -0.372 -2.144 6.226
150 HE1 PHE 23 HE1 PHE 23 -2.568 -5.710 8.810
151 HE2 PHE 23 HE2 PHE 23 0.207 -2.481 8.594
152 HZ PHE 23 HZ PHE 23 -0.891 -4.266 9.888
153 H CYS 24 HN CYS 24 -2.189 -0.627 6.116
154 HA CYS 24 HA CYS 24 -0.227 0.697 4.394
155 HB2 CYS 24 HB2 CYS 24 -2.256 2.072 4.353
156 HB3 CYS 24 HB1 CYS 24 -2.316 2.061 6.103
157 H GLY 25 HN GLY 25 1.697 1.057 5.460
158 HA2 GLY 25 HA2 GLY 25 1.936 1.453 8.244
159 HA3 GLY 25 HA1 GLY 25 2.222 -0.237 7.882
160 H SER 26 HN SER 26 4.251 -0.806 7.520
161 HA SER 26 HA SER 26 6.123 1.074 6.276
162 HB2 SER 26 HB2 SER 26 6.536 -0.239 8.963
163 HB3 SER 26 HB1 SER 26 7.840 0.490 8.027
164 HG SER 26 HG SER 26 7.142 2.087 9.349
165 H THR 27 HN THR 27 5.067 -2.131 6.843
166 HA THR 27 HA THR 27 7.420 -3.566 6.152
167 HB THR 27 HB THR 27 4.660 -4.674 5.749
168 HG1 THR 27 HG1 THR 27 4.235 -4.198 7.759
169 HG21 THR 27 HG21 THR 27 5.681 -6.720 6.666
170 HG22 THR 27 HG22 THR 27 7.212 -5.865 6.855
171 HG23 THR 27 HG23 THR 27 6.553 -6.148 5.244
172 H SER 28 HN SER 28 7.570 -5.037 4.247
173 HA SER 28 HA SER 28 7.292 -3.500 1.814
174 HB2 SER 28 HB2 SER 28 9.368 -4.728 2.470
175 HB3 SER 28 HB1 SER 28 8.502 -6.239 2.197
176 HG SER 28 HG SER 28 9.739 -5.549 0.368
177 H GLU 29 HN GLU 29 4.825 -3.951 2.434
178 HA GLU 29 HA GLU 29 3.853 -5.751 0.362
179 HB2 GLU 29 HB2 GLU 29 2.955 -5.895 3.253
180 HB3 GLU 29 HB1 GLU 29 1.990 -6.527 1.929
181 HG2 GLU 29 HG2 GLU 29 4.812 -7.433 2.367
182 HG3 GLU 29 HG1 GLU 29 3.467 -8.151 3.250
183 H TYR 30 HN TYR 30 3.185 -3.397 2.837
184 HA TYR 30 HA TYR 30 1.049 -2.165 1.276
185 HB2 TYR 30 HB2 TYR 30 1.535 -0.690 3.656
186 HB3 TYR 30 HB1 TYR 30 0.145 -1.693 3.278
187 HD1 TYR 30 HD1 TYR 30 0.733 -4.376 3.630
188 HD2 TYR 30 HD2 TYR 30 2.575 -1.119 5.671
189 HE1 TYR 30 HE1 TYR 30 1.295 -5.869 5.494
190 HE2 TYR 30 HE2 TYR 30 3.143 -2.612 7.535
191 HH TYR 30 HH TYR 30 2.921 -5.992 7.325
192 H CYS 31 HN CYS 31 4.314 -1.821 2.221
193 HA CYS 31 HA CYS 31 4.523 0.802 0.902
194 HB2 CYS 31 HB2 CYS 31 6.453 -0.305 2.950
195 HB3 CYS 31 HB1 CYS 31 6.358 1.344 2.342
196 H SER 32 HN SER 32 4.665 -0.383 -1.107
197 HA SER 32 HA SER 32 6.801 -2.256 -1.527
198 HB2 SER 32 HB2 SER 32 4.822 -0.926 -3.358
199 HB3 SER 32 HB1 SER 32 6.103 -1.972 -3.969
200 HG SER 32 HG SER 32 4.256 -2.759 -1.967
201 H ARG 33 HN ARG 33 8.834 -1.820 -1.836
202 HA ARG 33 HA ARG 33 9.636 0.808 -2.855
203 HB2 ARG 33 HB2 ARG 33 11.929 0.172 -1.987
204 HB3 ARG 33 HB1 ARG 33 10.692 0.414 -0.768
205 HG2 ARG 33 HG2 ARG 33 11.606 -1.490 0.060
206 HG3 ARG 33 HG1 ARG 33 10.463 -2.236 -1.059
207 HD2 ARG 33 HD2 ARG 33 12.240 -2.366 -2.754
208 HD3 ARG 33 HD1 ARG 33 13.374 -1.659 -1.605
209 HE ARG 33 HE ARG 33 12.191 -3.948 -0.470
210 HH11 ARG 33 HH11 ARG 33 14.520 -3.098 -2.957
211 HH12 ARG 33 HH12 ARG 33 15.384 -4.593 -2.820
212 HH21 ARG 33 HH21 ARG 33 13.337 -5.898 -0.307
213 HH22 ARG 33 HH22 ARG 33 14.714 -6.176 -1.321
214 H ALA 34 HN ALA 34 9.679 -2.565 -3.538
215 HA ALA 34 HA ALA 34 11.324 -2.160 -5.939
216 HB1 ALA 34 HB1 ALA 34 10.594 -4.707 -4.500
217 HB2 ALA 34 HB2 ALA 34 12.164 -3.904 -4.487
218 HB3 ALA 34 HB3 ALA 34 11.552 -4.617 -5.978
219 H ASN 35 HN ASN 35 8.176 -3.022 -4.788
220 HA ASN 35 HA ASN 35 7.242 -3.812 -7.440
221 HB2 ASN 35 HB2 ASN 35 6.614 -4.869 -5.054
222 HB3 ASN 35 HB1 ASN 35 5.348 -3.650 -5.150
223 HD21 ASN 35 HD21 ASN 35 3.783 -3.799 -6.751
224 HD22 ASN 35 HD22 ASN 35 3.512 -5.258 -7.636
225 H GLY 36 HN GLY 36 7.286 -1.093 -5.349
226 HA2 GLY 36 HA2 GLY 36 6.813 1.109 -6.068
227 HA3 GLY 36 HA1 GLY 36 5.741 0.455 -7.295
228 H CYS 37 HN CYS 37 5.952 1.895 -4.239
229 HA CYS 37 HA CYS 37 3.397 0.975 -3.249
230 HB2 CYS 37 HB2 CYS 37 3.870 2.947 -1.553
231 HB3 CYS 37 HB1 CYS 37 4.785 1.448 -1.449
232 H GLN 38 HN GLN 38 1.704 2.631 -2.587
233 HA GLN 38 HA GLN 38 1.212 4.351 -4.920
234 HB2 GLN 38 HB2 GLN 38 -0.938 3.595 -2.975
235 HB3 GLN 38 HB1 GLN 38 -1.069 3.960 -4.689
236 HG2 GLN 38 HG2 GLN 38 0.390 1.517 -3.761
237 HG3 GLN 38 HG1 GLN 38 -1.371 1.526 -3.878
238 HE21 GLN 38 HE21 GLN 38 -2.343 1.707 -5.910
239 HE22 GLN 38 HE22 GLN 38 -1.473 1.399 -7.371
240 H SER 39 HN SER 39 0.219 4.430 -1.469
241 HA SER 39 HA SER 39 -0.238 7.220 -1.437
242 HB2 SER 39 HB2 SER 39 0.043 5.121 0.694
243 HB3 SER 39 HB1 SER 39 -0.281 6.807 1.092
244 HG SER 39 HG SER 39 -2.157 6.657 -0.234
245 H ASN 40 HN ASN 40 0.838 8.424 0.652
246 HA ASN 40 HA ASN 40 3.386 9.247 -0.156
247 HB2 ASN 40 HB2 ASN 40 1.593 10.374 1.405
248 HB3 ASN 40 HB1 ASN 40 2.506 9.587 2.688
249 HD21 ASN 40 HD21 ASN 40 4.617 10.237 3.103
250 HD22 ASN 40 HD22 ASN 40 5.249 11.734 2.514
251 H CYS 41 HN CYS 41 4.703 7.510 -0.410
252 HA CYS 41 HA CYS 41 5.652 6.168 2.039
253 HB2 CYS 41 HB2 CYS 41 6.201 4.240 0.581
254 HB3 CYS 41 HB1 CYS 41 4.489 4.644 0.479
255 H ARG 42 HN ARG 42 7.902 5.618 2.124
256 HA ARG 42 HA ARG 42 10.132 5.997 2.000
257 HB2 ARG 42 HB2 ARG 42 9.486 6.716 -0.864
258 HB3 ARG 42 HB1 ARG 42 11.123 6.594 -0.236
259 HG2 ARG 42 HG2 ARG 42 10.857 4.259 0.202
260 HG3 ARG 42 HG1 ARG 42 9.135 4.333 -0.172
261 HD2 ARG 42 HD2 ARG 42 11.299 4.979 -2.166
262 HD3 ARG 42 HD1 ARG 42 10.605 3.370 -1.978
263 HE ARG 42 HE ARG 42 8.461 5.049 -2.348
264 HH11 ARG 42 HH11 ARG 42 11.319 4.234 -4.220
265 HH12 ARG 42 HH12 ARG 42 10.545 4.526 -5.742
266 HH21 ARG 42 HH21 ARG 42 7.470 5.426 -4.352
267 HH22 ARG 42 HH22 ARG 42 8.369 5.200 -5.816
268 H GLY 43 HN GLY 43 8.051 8.360 2.313
269 HA2 GLY 43 HA2 GLY 43 8.598 10.394 3.424
270 HA3 GLY 43 HA1 GLY 43 10.137 10.412 2.578
Start of MODEL 6
1 H1 GLN 1 HT1 GLN 1 -4.652 -0.853 11.189
2 H2 GLN 1 HT2 GLN 1 -3.119 -0.331 10.703
3 H3 GLN 1 HT3 GLN 1 -3.598 -1.928 10.419
4 HA GLN 1 HA GLN 1 -3.692 -0.627 8.397
5 HB2 GLN 1 HB2 GLN 1 -6.309 -1.557 9.577
6 HB3 GLN 1 HB1 GLN 1 -6.171 -1.013 7.911
7 HG2 GLN 1 HG2 GLN 1 -4.678 -2.788 7.375
8 HG3 GLN 1 HG1 GLN 1 -4.531 -3.251 9.070
9 HE21 GLN 1 HE21 GLN 1 -6.548 -3.304 6.242
10 HE22 GLN 1 HE22 GLN 1 -7.675 -4.480 6.818
11 H ASN 2 HN ASN 2 -3.995 1.278 7.448
12 HA ASN 2 HA ASN 2 -5.619 3.302 8.834
13 HB2 ASN 2 HB2 ASN 2 -2.929 3.605 7.511
14 HB3 ASN 2 HB1 ASN 2 -3.973 4.983 7.797
15 HD21 ASN 2 HD21 ASN 2 -2.007 2.522 9.259
16 HD22 ASN 2 HD22 ASN 2 -1.926 3.233 10.832
17 H CYS 3 HN CYS 3 -4.347 2.208 5.753
18 HA CYS 3 HA CYS 3 -6.738 3.070 4.369
19 HB2 CYS 3 HB2 CYS 3 -5.416 4.369 2.685
20 HB3 CYS 3 HB1 CYS 3 -5.398 5.095 4.287
21 H GLY 4 HN GLY 4 -6.170 2.730 1.806
22 HA2 GLY 4 HA2 GLY 4 -4.607 1.165 0.505
23 HA3 GLY 4 HA1 GLY 4 -5.202 -0.043 1.623
24 H ARG 5 HN ARG 5 -7.173 -0.986 1.269
25 HA ARG 5 HA ARG 5 -8.835 0.017 -0.932
26 HB2 ARG 5 HB2 ARG 5 -8.008 -2.867 -0.583
27 HB3 ARG 5 HB1 ARG 5 -9.162 -2.275 -1.768
28 HG2 ARG 5 HG2 ARG 5 -7.214 -0.788 -2.574
29 HG3 ARG 5 HG1 ARG 5 -6.199 -1.914 -1.673
30 HD2 ARG 5 HD2 ARG 5 -8.189 -2.781 -3.766
31 HD3 ARG 5 HD1 ARG 5 -6.502 -2.431 -4.123
32 HE ARG 5 HE ARG 5 -6.708 -4.309 -2.009
33 HH11 ARG 5 HH11 ARG 5 -7.027 -4.094 -5.500
34 HH12 ARG 5 HH12 ARG 5 -6.637 -5.762 -5.753
35 HH21 ARG 5 HH21 ARG 5 -6.197 -6.490 -2.365
36 HH22 ARG 5 HH22 ARG 5 -6.168 -7.116 -3.980
37 H GLN 6 HN GLN 6 -8.499 -1.794 1.975
38 HA GLN 6 HA GLN 6 -11.246 -2.612 2.211
39 HB2 GLN 6 HB2 GLN 6 -8.902 -2.713 4.090
40 HB3 GLN 6 HB1 GLN 6 -10.513 -3.207 4.589
41 HG2 GLN 6 HG2 GLN 6 -10.543 -4.895 2.820
42 HG3 GLN 6 HG1 GLN 6 -8.924 -4.401 2.327
43 HE21 GLN 6 HE21 GLN 6 -7.167 -4.905 3.640
44 HE22 GLN 6 HE22 GLN 6 -7.263 -6.100 4.883
45 H ALA 7 HN ALA 7 -9.441 0.168 3.185
46 HA ALA 7 HA ALA 7 -11.469 1.063 5.080
47 HB1 ALA 7 HB1 ALA 7 -9.056 1.359 5.562
48 HB2 ALA 7 HB2 ALA 7 -9.962 2.872 5.588
49 HB3 ALA 7 HB3 ALA 7 -8.954 2.471 4.197
50 H GLY 8 HN GLY 8 -11.529 0.932 1.913
51 HA2 GLY 8 HA2 GLY 8 -13.179 2.024 0.593
52 HA3 GLY 8 HA1 GLY 8 -13.030 3.439 1.624
53 H ASN 9 HN ASN 9 -10.300 1.686 0.285
54 HA ASN 9 HA ASN 9 -8.546 2.287 -1.010
55 HB2 ASN 9 HB2 ASN 9 -10.789 3.538 -2.611
56 HB3 ASN 9 HB1 ASN 9 -9.130 3.449 -3.192
57 HD21 ASN 9 HD21 ASN 9 -8.249 1.448 -3.722
58 HD22 ASN 9 HD22 ASN 9 -9.237 0.056 -3.991
59 H ARG 10 HN ARG 10 -8.791 3.869 1.211
60 HA ARG 10 HA ARG 10 -8.434 6.657 0.486
61 HB2 ARG 10 HB2 ARG 10 -8.495 5.152 3.096
62 HB3 ARG 10 HB1 ARG 10 -7.986 6.832 3.028
63 HG2 ARG 10 HG2 ARG 10 -10.151 7.449 2.071
64 HG3 ARG 10 HG1 ARG 10 -10.660 5.761 2.146
65 HD2 ARG 10 HD2 ARG 10 -10.394 5.790 4.578
66 HD3 ARG 10 HD1 ARG 10 -9.883 7.475 4.503
67 HE ARG 10 HE ARG 10 -12.385 7.253 3.267
68 HH11 ARG 10 HH11 ARG 10 -11.016 7.000 6.492
69 HH12 ARG 10 HH12 ARG 10 -12.483 7.484 7.277
70 HH21 ARG 10 HH21 ARG 10 -14.336 7.984 6.044
71 HH22 ARG 10 HH22 ARG 10 -14.292 7.885 4.315
72 H ALA 11 HN ALA 11 -6.522 7.840 1.539
73 HA ALA 11 HA ALA 11 -4.044 6.296 1.104
74 HB1 ALA 11 HB1 ALA 11 -4.514 9.218 0.558
75 HB2 ALA 11 HB2 ALA 11 -4.443 7.939 -0.654
76 HB3 ALA 11 HB3 ALA 11 -3.010 8.336 0.293
77 H CYS 12 HN CYS 12 -2.253 6.724 2.432
78 HA CYS 12 HA CYS 12 -2.916 7.669 5.106
79 HB2 CYS 12 HB2 CYS 12 -0.849 5.980 3.896
80 HB3 CYS 12 HB1 CYS 12 -0.229 7.052 5.145
81 H ALA 13 HN ALA 13 -2.190 9.497 6.070
82 HA ALA 13 HA ALA 13 -0.337 11.228 4.573
83 HB1 ALA 13 HB1 ALA 13 -2.851 12.154 5.952
84 HB2 ALA 13 HB2 ALA 13 -2.631 11.995 4.209
85 HB3 ALA 13 HB3 ALA 13 -1.683 13.175 5.113
86 H ASN 14 HN ASN 14 -0.259 9.433 7.105
87 HA ASN 14 HA ASN 14 0.483 11.411 9.113
88 HB2 ASN 14 HB2 ASN 14 -0.965 9.306 9.560
89 HB3 ASN 14 HB1 ASN 14 0.565 8.441 9.553
90 HD21 ASN 14 HD21 ASN 14 -1.408 10.770 11.203
91 HD22 ASN 14 HD22 ASN 14 -0.508 10.792 12.678
92 H GLN 15 HN GLN 15 2.043 8.286 8.674
93 HA GLN 15 HA GLN 15 4.555 9.525 7.856
94 HB2 GLN 15 HB2 GLN 15 4.188 8.015 10.438
95 HB3 GLN 15 HB1 GLN 15 5.758 8.152 9.661
96 HG2 GLN 15 HG2 GLN 15 5.632 10.585 9.826
97 HG3 GLN 15 HG1 GLN 15 4.052 10.450 10.596
98 HE21 GLN 15 HE21 GLN 15 7.475 9.996 10.966
99 HE22 GLN 15 HE22 GLN 15 7.471 9.807 12.684
100 H LEU 16 HN LEU 16 2.504 6.781 8.142
101 HA LEU 16 HA LEU 16 4.444 5.039 6.810
102 HB2 LEU 16 HB2 LEU 16 2.711 3.230 7.264
103 HB3 LEU 16 HB1 LEU 16 3.520 3.897 8.661
104 HG LEU 16 HG LEU 16 0.815 4.911 7.838
105 HD11 LEU 16 HD11 LEU 16 -0.214 3.265 9.318
106 HD12 LEU 16 HD12 LEU 16 1.357 2.504 9.569
107 HD13 LEU 16 HD13 LEU 16 0.613 2.486 7.970
108 HD21 LEU 16 HD21 LEU 16 2.056 6.150 9.571
109 HD22 LEU 16 HD22 LEU 16 2.171 4.675 10.529
110 HD23 LEU 16 HD23 LEU 16 0.596 5.405 10.218
111 H CYS 17 HN CYS 17 2.735 3.296 5.424
112 HA CYS 17 HA CYS 17 1.097 4.829 3.624
113 HB2 CYS 17 HB2 CYS 17 2.504 5.064 1.833
114 HB3 CYS 17 HB1 CYS 17 3.764 4.882 3.041
115 H CYS 18 HN CYS 18 -0.292 3.690 2.434
116 HA CYS 18 HA CYS 18 -0.300 0.774 2.809
117 HB2 CYS 18 HB2 CYS 18 -2.669 1.031 1.842
118 HB3 CYS 18 HB1 CYS 18 -2.378 1.653 3.461
119 H SER 19 HN SER 19 -1.025 -0.611 1.140
120 HA SER 19 HA SER 19 -0.180 0.245 -1.559
121 HB2 SER 19 HB2 SER 19 0.425 -2.176 -1.914
122 HB3 SER 19 HB1 SER 19 1.371 -1.409 -0.638
123 HG SER 19 HG SER 19 0.607 -3.427 0.046
124 H GLN 20 HN GLN 20 -1.141 -1.670 -3.161
125 HA GLN 20 HA GLN 20 -3.982 -1.247 -3.152
126 HB2 GLN 20 HB2 GLN 20 -2.352 -1.402 -5.172
127 HB3 GLN 20 HB1 GLN 20 -2.518 -3.140 -4.988
128 HG2 GLN 20 HG2 GLN 20 -4.829 -3.064 -5.490
129 HG3 GLN 20 HG1 GLN 20 -4.871 -1.306 -5.357
130 HE21 GLN 20 HE21 GLN 20 -3.944 -4.020 -7.316
131 HE22 GLN 20 HE22 GLN 20 -3.671 -3.135 -8.774
132 H TYR 21 HN TYR 21 -4.326 -2.268 -1.045
133 HA TYR 21 HA TYR 21 -5.242 -4.972 -1.266
134 HB2 TYR 21 HB2 TYR 21 -3.009 -5.629 -0.773
135 HB3 TYR 21 HB1 TYR 21 -2.807 -4.344 0.405
136 HD1 TYR 21 HD1 TYR 21 -3.472 -4.645 2.693
137 HD2 TYR 21 HD2 TYR 21 -4.288 -7.660 -0.189
138 HE1 TYR 21 HE1 TYR 21 -4.012 -6.223 4.503
139 HE2 TYR 21 HE2 TYR 21 -4.834 -9.246 1.608
140 HH TYR 21 HH TYR 21 -5.322 -8.280 4.821
141 H GLY 22 HN GLY 22 -4.195 -2.796 1.301
142 HA2 GLY 22 HA2 GLY 22 -6.272 -1.529 2.270
143 HA3 GLY 22 HA1 GLY 22 -6.743 -3.160 2.698
144 H PHE 23 HN PHE 23 -3.400 -2.068 2.711
145 HA PHE 23 HA PHE 23 -3.435 -1.910 5.629
146 HB2 PHE 23 HB2 PHE 23 -2.774 -4.249 4.705
147 HB3 PHE 23 HB1 PHE 23 -1.261 -3.477 4.277
148 HD1 PHE 23 HD1 PHE 23 -0.183 -2.079 6.358
149 HD2 PHE 23 HD2 PHE 23 -2.839 -5.396 6.664
150 HE1 PHE 23 HE1 PHE 23 0.629 -2.523 8.639
151 HE2 PHE 23 HE2 PHE 23 -2.032 -5.839 8.942
152 HZ PHE 23 HZ PHE 23 -0.295 -4.402 9.932
153 H CYS 24 HN CYS 24 -2.564 -0.025 6.192
154 HA CYS 24 HA CYS 24 -0.423 1.197 4.631
155 HB2 CYS 24 HB2 CYS 24 -2.397 2.513 5.567
156 HB3 CYS 24 HB1 CYS 24 -1.684 2.240 7.154
157 H GLY 25 HN GLY 25 1.656 1.621 5.477
158 HA2 GLY 25 HA2 GLY 25 2.548 1.217 8.074
159 HA3 GLY 25 HA1 GLY 25 2.657 -0.341 7.283
160 H SER 26 HN SER 26 4.819 -0.585 7.138
161 HA SER 26 HA SER 26 6.258 1.253 5.355
162 HB2 SER 26 HB2 SER 26 7.221 0.333 8.065
163 HB3 SER 26 HB1 SER 26 8.259 1.089 6.856
164 HG SER 26 HG SER 26 6.525 2.237 8.587
165 H THR 27 HN THR 27 5.573 -1.885 6.439
166 HA THR 27 HA THR 27 7.832 -3.371 5.729
167 HB THR 27 HB THR 27 4.995 -4.356 5.484
168 HG1 THR 27 HG1 THR 27 4.963 -4.579 7.699
169 HG21 THR 27 HG21 THR 27 7.538 -5.717 6.398
170 HG22 THR 27 HG22 THR 27 6.729 -5.972 4.852
171 HG23 THR 27 HG23 THR 27 5.938 -6.459 6.351
172 H SER 28 HN SER 28 7.916 -4.982 3.913
173 HA SER 28 HA SER 28 7.733 -3.612 1.382
174 HB2 SER 28 HB2 SER 28 9.668 -5.003 2.175
175 HB3 SER 28 HB1 SER 28 8.655 -6.426 1.932
176 HG SER 28 HG SER 28 9.160 -6.331 -0.097
177 H GLU 29 HN GLU 29 5.198 -4.023 2.309
178 HA GLU 29 HA GLU 29 4.042 -5.671 0.211
179 HB2 GLU 29 HB2 GLU 29 3.398 -6.027 3.150
180 HB3 GLU 29 HB1 GLU 29 2.315 -6.557 1.872
181 HG2 GLU 29 HG2 GLU 29 5.157 -7.500 1.994
182 HG3 GLU 29 HG1 GLU 29 3.886 -8.278 2.936
183 H TYR 30 HN TYR 30 3.486 -3.604 2.975
184 HA TYR 30 HA TYR 30 1.197 -2.280 1.857
185 HB2 TYR 30 HB2 TYR 30 2.623 -1.095 4.163
186 HB3 TYR 30 HB1 TYR 30 0.902 -1.358 3.925
187 HD1 TYR 30 HD1 TYR 30 0.641 -4.246 3.587
188 HD2 TYR 30 HD2 TYR 30 3.270 -2.099 6.155
189 HE1 TYR 30 HE1 TYR 30 0.697 -6.163 5.120
190 HE2 TYR 30 HE2 TYR 30 3.330 -4.014 7.691
191 HH TYR 30 HH TYR 30 1.960 -5.971 8.261
192 H CYS 31 HN CYS 31 4.606 -1.762 2.169
193 HA CYS 31 HA CYS 31 4.401 0.625 0.488
194 HB2 CYS 31 HB2 CYS 31 6.253 0.245 2.847
195 HB3 CYS 31 HB1 CYS 31 6.430 1.532 1.661
196 H SER 32 HN SER 32 4.768 -0.611 -1.340
197 HA SER 32 HA SER 32 7.113 -2.308 -1.502
198 HB2 SER 32 HB2 SER 32 4.938 -1.593 -3.456
199 HB3 SER 32 HB1 SER 32 6.329 -2.578 -3.903
200 HG SER 32 HG SER 32 5.356 -3.564 -1.653
201 H ARG 33 HN ARG 33 8.967 -1.948 -2.523
202 HA ARG 33 HA ARG 33 9.412 0.717 -3.675
203 HB2 ARG 33 HB2 ARG 33 11.853 0.280 -3.207
204 HB3 ARG 33 HB1 ARG 33 10.837 0.459 -1.787
205 HG2 ARG 33 HG2 ARG 33 10.823 -1.968 -1.481
206 HG3 ARG 33 HG1 ARG 33 11.821 -2.159 -2.924
207 HD2 ARG 33 HD2 ARG 33 12.676 -0.513 -0.554
208 HD3 ARG 33 HD1 ARG 33 13.025 -2.234 -0.692
209 HE ARG 33 HE ARG 33 13.881 -0.888 -3.023
210 HH11 ARG 33 HH11 ARG 33 14.795 -1.288 0.345
211 HH12 ARG 33 HH12 ARG 33 16.474 -0.991 0.043
212 HH21 ARG 33 HH21 ARG 33 16.084 -0.501 -3.393
213 HH22 ARG 33 HH22 ARG 33 17.202 -0.545 -2.070
214 H ALA 34 HN ALA 34 9.637 -2.684 -4.232
215 HA ALA 34 HA ALA 34 10.857 -2.295 -6.866
216 HB1 ALA 34 HB1 ALA 34 11.887 -3.985 -5.424
217 HB2 ALA 34 HB2 ALA 34 11.214 -4.704 -6.888
218 HB3 ALA 34 HB3 ALA 34 10.353 -4.853 -5.356
219 H ASN 35 HN ASN 35 7.958 -3.394 -5.278
220 HA ASN 35 HA ASN 35 6.689 -4.117 -7.806
221 HB2 ASN 35 HB2 ASN 35 5.860 -4.469 -4.928
222 HB3 ASN 35 HB1 ASN 35 4.746 -4.756 -6.259
223 HD21 ASN 35 HD21 ASN 35 5.100 -6.492 -7.642
224 HD22 ASN 35 HD22 ASN 35 6.158 -7.792 -7.225
225 H GLY 36 HN GLY 36 6.843 -1.508 -5.586
226 HA2 GLY 36 HA2 GLY 36 6.118 0.679 -6.164
227 HA3 GLY 36 HA1 GLY 36 4.883 -0.029 -7.190
228 H CYS 37 HN CYS 37 5.333 1.697 -4.476
229 HA CYS 37 HA CYS 37 3.216 0.511 -2.866
230 HB2 CYS 37 HB2 CYS 37 3.733 2.626 -1.420
231 HB3 CYS 37 HB1 CYS 37 4.921 1.332 -1.490
232 H GLN 38 HN GLN 38 1.458 2.134 -1.986
233 HA GLN 38 HA GLN 38 0.446 3.550 -4.369
234 HB2 GLN 38 HB2 GLN 38 -1.116 2.329 -2.090
235 HB3 GLN 38 HB1 GLN 38 -1.805 3.117 -3.503
236 HG2 GLN 38 HG2 GLN 38 0.061 0.832 -3.913
237 HG3 GLN 38 HG1 GLN 38 -1.582 0.496 -3.367
238 HE21 GLN 38 HE21 GLN 38 0.396 1.698 -5.956
239 HE22 GLN 38 HE22 GLN 38 -0.827 1.684 -7.176
240 H SER 39 HN SER 39 0.375 3.782 -0.797
241 HA SER 39 HA SER 39 -0.522 6.518 -0.893
242 HB2 SER 39 HB2 SER 39 -1.221 4.823 0.835
243 HB3 SER 39 HB1 SER 39 0.406 4.925 1.493
244 HG SER 39 HG SER 39 0.060 7.065 1.987
245 H ASN 40 HN ASN 40 0.738 7.750 1.141
246 HA ASN 40 HA ASN 40 3.089 8.811 0.022
247 HB2 ASN 40 HB2 ASN 40 1.344 9.753 1.752
248 HB3 ASN 40 HB1 ASN 40 2.442 9.059 2.938
249 HD21 ASN 40 HD21 ASN 40 2.027 11.489 0.490
250 HD22 ASN 40 HD22 ASN 40 3.412 12.437 0.904
251 H CYS 41 HN CYS 41 4.449 7.033 -0.348
252 HA CYS 41 HA CYS 41 5.580 5.719 2.007
253 HB2 CYS 41 HB2 CYS 41 6.623 4.222 0.133
254 HB3 CYS 41 HB1 CYS 41 4.921 4.035 0.547
255 H ARG 42 HN ARG 42 7.291 5.891 -1.006
256 HA ARG 42 HA ARG 42 9.624 7.000 0.267
257 HB2 ARG 42 HB2 ARG 42 9.103 6.120 -2.580
258 HB3 ARG 42 HB1 ARG 42 10.657 6.709 -2.011
259 HG2 ARG 42 HG2 ARG 42 10.962 4.844 -0.598
260 HG3 ARG 42 HG1 ARG 42 9.276 4.354 -0.756
261 HD2 ARG 42 HD2 ARG 42 11.209 4.415 -3.066
262 HD3 ARG 42 HD1 ARG 42 10.936 2.987 -2.070
263 HE ARG 42 HE ARG 42 8.442 3.767 -2.914
264 HH11 ARG 42 HH11 ARG 42 11.411 2.815 -4.530
265 HH12 ARG 42 HH12 ARG 42 10.588 2.170 -5.910
266 HH21 ARG 42 HH21 ARG 42 7.386 2.917 -4.731
267 HH22 ARG 42 HH22 ARG 42 8.312 2.229 -6.023
268 H GLY 43 HN GLY 43 9.185 9.088 0.811
269 HA2 GLY 43 HA2 GLY 43 9.380 11.030 -1.344
270 HA3 GLY 43 HA1 GLY 43 7.910 11.118 -0.387
Start of MODEL 7
1 H1 GLN 1 HT1 GLN 1 -3.727 -1.669 10.650
2 H2 GLN 1 HT2 GLN 1 -4.888 -0.595 11.248
3 H3 GLN 1 HT3 GLN 1 -3.330 -0.043 10.894
4 HA GLN 1 HA GLN 1 -3.649 -0.478 8.560
5 HB2 GLN 1 HB2 GLN 1 -6.347 -1.441 9.515
6 HB3 GLN 1 HB1 GLN 1 -6.051 -0.980 7.844
7 HG2 GLN 1 HG2 GLN 1 -4.460 -2.723 7.562
8 HG3 GLN 1 HG1 GLN 1 -4.467 -3.089 9.285
9 HE21 GLN 1 HE21 GLN 1 -6.208 -4.200 10.172
10 HE22 GLN 1 HE22 GLN 1 -7.341 -5.066 9.195
11 H ASN 2 HN ASN 2 -3.891 1.372 7.496
12 HA ASN 2 HA ASN 2 -5.627 3.439 8.665
13 HB2 ASN 2 HB2 ASN 2 -2.954 3.696 7.295
14 HB3 ASN 2 HB1 ASN 2 -4.029 5.068 7.475
15 HD21 ASN 2 HD21 ASN 2 -1.979 2.796 9.107
16 HD22 ASN 2 HD22 ASN 2 -1.909 3.629 10.618
17 H CYS 3 HN CYS 3 -4.414 2.047 5.685
18 HA CYS 3 HA CYS 3 -6.846 2.688 4.290
19 HB2 CYS 3 HB2 CYS 3 -5.246 3.747 2.413
20 HB3 CYS 3 HB1 CYS 3 -6.030 4.725 3.646
21 H GLY 4 HN GLY 4 -6.325 2.288 1.759
22 HA2 GLY 4 HA2 GLY 4 -4.716 0.742 0.464
23 HA3 GLY 4 HA1 GLY 4 -5.297 -0.459 1.603
24 H ARG 5 HN ARG 5 -6.929 -1.687 0.863
25 HA ARG 5 HA ARG 5 -8.893 -0.432 -0.923
26 HB2 ARG 5 HB2 ARG 5 -9.032 -2.480 -2.290
27 HB3 ARG 5 HB1 ARG 5 -7.412 -1.808 -2.324
28 HG2 ARG 5 HG2 ARG 5 -6.608 -3.519 -0.845
29 HG3 ARG 5 HG1 ARG 5 -8.245 -4.127 -0.590
30 HD2 ARG 5 HD2 ARG 5 -6.934 -4.041 -3.298
31 HD3 ARG 5 HD1 ARG 5 -6.801 -5.427 -2.218
32 HE ARG 5 HE ARG 5 -9.518 -4.726 -2.575
33 HH11 ARG 5 HH11 ARG 5 -6.874 -6.266 -4.301
34 HH12 ARG 5 HH12 ARG 5 -7.925 -7.229 -5.285
35 HH21 ARG 5 HH21 ARG 5 -10.874 -5.996 -3.874
36 HH22 ARG 5 HH22 ARG 5 -10.187 -7.075 -5.042
37 H GLN 6 HN GLN 6 -8.653 -1.344 2.017
38 HA GLN 6 HA GLN 6 -11.180 -2.865 2.129
39 HB2 GLN 6 HB2 GLN 6 -8.804 -2.953 3.986
40 HB3 GLN 6 HB1 GLN 6 -10.369 -3.632 4.404
41 HG2 GLN 6 HG2 GLN 6 -10.221 -5.138 2.477
42 HG3 GLN 6 HG1 GLN 6 -8.637 -4.469 2.088
43 HE21 GLN 6 HE21 GLN 6 -10.453 -6.465 4.275
44 HE22 GLN 6 HE22 GLN 6 -9.097 -7.190 5.062
45 H ALA 7 HN ALA 7 -9.532 -0.007 3.059
46 HA ALA 7 HA ALA 7 -11.415 0.651 5.192
47 HB1 ALA 7 HB1 ALA 7 -8.990 1.108 5.454
48 HB2 ALA 7 HB2 ALA 7 -10.005 2.536 5.654
49 HB3 ALA 7 HB3 ALA 7 -9.114 2.293 4.152
50 H GLY 8 HN GLY 8 -11.088 1.129 1.843
51 HA2 GLY 8 HA2 GLY 8 -13.171 2.043 0.806
52 HA3 GLY 8 HA1 GLY 8 -12.980 3.401 1.905
53 H ASN 9 HN ASN 9 -10.368 1.784 0.192
54 HA ASN 9 HA ASN 9 -8.755 2.493 -1.224
55 HB2 ASN 9 HB2 ASN 9 -11.145 3.869 -2.465
56 HB3 ASN 9 HB1 ASN 9 -9.554 3.852 -3.219
57 HD21 ASN 9 HD21 ASN 9 -8.733 1.918 -4.022
58 HD22 ASN 9 HD22 ASN 9 -9.741 0.546 -4.313
59 H ARG 10 HN ARG 10 -8.945 3.975 1.182
60 HA ARG 10 HA ARG 10 -8.517 6.775 0.572
61 HB2 ARG 10 HB2 ARG 10 -8.474 5.157 3.118
62 HB3 ARG 10 HB1 ARG 10 -7.964 6.840 3.090
63 HG2 ARG 10 HG2 ARG 10 -10.176 7.484 2.248
64 HG3 ARG 10 HG1 ARG 10 -10.683 5.795 2.318
65 HD2 ARG 10 HD2 ARG 10 -10.286 5.777 4.732
66 HD3 ARG 10 HD1 ARG 10 -9.772 7.463 4.662
67 HE ARG 10 HE ARG 10 -12.364 7.189 3.568
68 HH11 ARG 10 HH11 ARG 10 -10.731 7.182 6.678
69 HH12 ARG 10 HH12 ARG 10 -12.131 7.723 7.542
70 HH21 ARG 10 HH21 ARG 10 -14.082 8.126 6.434
71 HH22 ARG 10 HH22 ARG 10 -14.182 7.895 4.720
72 H ALA 11 HN ALA 11 -6.507 7.837 1.655
73 HA ALA 11 HA ALA 11 -4.113 6.225 1.053
74 HB1 ALA 11 HB1 ALA 11 -3.041 8.215 0.167
75 HB2 ALA 11 HB2 ALA 11 -4.496 9.157 0.491
76 HB3 ALA 11 HB3 ALA 11 -4.532 7.864 -0.707
77 H CYS 12 HN CYS 12 -2.202 6.708 2.229
78 HA CYS 12 HA CYS 12 -2.718 7.663 4.939
79 HB2 CYS 12 HB2 CYS 12 -0.891 5.776 3.701
80 HB3 CYS 12 HB1 CYS 12 -0.038 6.886 4.766
81 H ALA 13 HN ALA 13 -2.036 9.547 5.737
82 HA ALA 13 HA ALA 13 -0.008 11.087 4.261
83 HB1 ALA 13 HB1 ALA 13 -1.294 13.126 4.557
84 HB2 ALA 13 HB2 ALA 13 -2.572 12.219 5.365
85 HB3 ALA 13 HB3 ALA 13 -2.225 11.925 3.661
86 H ASN 14 HN ASN 14 -0.200 9.480 6.902
87 HA ASN 14 HA ASN 14 0.443 11.549 8.845
88 HB2 ASN 14 HB2 ASN 14 0.006 8.581 9.122
89 HB3 ASN 14 HB1 ASN 14 0.562 9.589 10.453
90 HD21 ASN 14 HD21 ASN 14 -2.092 8.809 8.357
91 HD22 ASN 14 HD22 ASN 14 -3.314 9.630 9.262
92 H GLN 15 HN GLN 15 1.972 8.384 8.600
93 HA GLN 15 HA GLN 15 4.569 9.583 8.017
94 HB2 GLN 15 HB2 GLN 15 3.943 8.038 10.526
95 HB3 GLN 15 HB1 GLN 15 5.580 8.164 9.899
96 HG2 GLN 15 HG2 GLN 15 5.464 10.598 10.090
97 HG3 GLN 15 HG1 GLN 15 3.825 10.467 10.724
98 HE21 GLN 15 HE21 GLN 15 3.505 9.672 12.802
99 HE22 GLN 15 HE22 GLN 15 4.788 9.566 13.954
100 H LEU 16 HN LEU 16 2.481 6.839 8.145
101 HA LEU 16 HA LEU 16 4.495 5.135 6.872
102 HB2 LEU 16 HB2 LEU 16 2.729 3.304 7.240
103 HB3 LEU 16 HB1 LEU 16 3.575 3.909 8.644
104 HG LEU 16 HG LEU 16 0.855 4.955 7.900
105 HD11 LEU 16 HD11 LEU 16 1.449 2.532 9.594
106 HD12 LEU 16 HD12 LEU 16 0.670 2.525 8.011
107 HD13 LEU 16 HD13 LEU 16 -0.131 3.287 9.384
108 HD21 LEU 16 HD21 LEU 16 2.159 6.167 9.623
109 HD22 LEU 16 HD22 LEU 16 2.254 4.682 10.566
110 HD23 LEU 16 HD23 LEU 16 0.690 5.444 10.277
111 H CYS 17 HN CYS 17 2.762 3.373 5.449
112 HA CYS 17 HA CYS 17 1.296 4.996 3.562
113 HB2 CYS 17 HB2 CYS 17 2.803 3.870 1.662
114 HB3 CYS 17 HB1 CYS 17 3.252 5.406 2.397
115 H CYS 18 HN CYS 18 -0.118 4.027 2.328
116 HA CYS 18 HA CYS 18 -0.584 1.166 2.810
117 HB2 CYS 18 HB2 CYS 18 -2.858 2.002 1.611
118 HB3 CYS 18 HB1 CYS 18 -2.602 2.068 3.349
119 H SER 19 HN SER 19 -1.314 -0.205 1.227
120 HA SER 19 HA SER 19 -0.614 0.498 -1.552
121 HB2 SER 19 HB2 SER 19 0.087 -1.902 -1.812
122 HB3 SER 19 HB1 SER 19 1.076 -1.030 -0.638
123 HG SER 19 HG SER 19 0.088 -3.231 -0.114
124 H GLN 20 HN GLN 20 -1.635 -1.457 -3.014
125 HA GLN 20 HA GLN 20 -4.490 -1.264 -2.617
126 HB2 GLN 20 HB2 GLN 20 -3.070 -1.231 -4.850
127 HB3 GLN 20 HB1 GLN 20 -3.262 -2.976 -4.750
128 HG2 GLN 20 HG2 GLN 20 -5.684 -2.721 -4.743
129 HG3 GLN 20 HG1 GLN 20 -5.507 -0.968 -4.808
130 HE21 GLN 20 HE21 GLN 20 -4.810 0.001 -6.714
131 HE22 GLN 20 HE22 GLN 20 -4.834 -0.829 -8.229
132 H TYR 21 HN TYR 21 -4.261 -2.414 -0.513
133 HA TYR 21 HA TYR 21 -4.987 -5.195 -0.777
134 HB2 TYR 21 HB2 TYR 21 -2.697 -5.682 -0.616
135 HB3 TYR 21 HB1 TYR 21 -2.392 -4.356 0.492
136 HD1 TYR 21 HD1 TYR 21 -2.035 -4.848 2.725
137 HD2 TYR 21 HD2 TYR 21 -4.226 -7.620 0.358
138 HE1 TYR 21 HE1 TYR 21 -2.090 -6.414 4.619
139 HE2 TYR 21 HE2 TYR 21 -4.285 -9.196 2.244
140 HH TYR 21 HH TYR 21 -3.010 -9.663 4.294
141 H GLY 22 HN GLY 22 -4.703 -2.281 1.049
142 HA2 GLY 22 HA2 GLY 22 -6.453 -1.584 2.552
143 HA3 GLY 22 HA1 GLY 22 -6.756 -3.272 2.908
144 H PHE 23 HN PHE 23 -3.505 -1.935 2.820
145 HA PHE 23 HA PHE 23 -3.397 -1.830 5.733
146 HB2 PHE 23 HB2 PHE 23 -2.766 -4.170 4.749
147 HB3 PHE 23 HB1 PHE 23 -1.262 -3.377 4.316
148 HD1 PHE 23 HD1 PHE 23 -2.862 -5.281 6.737
149 HD2 PHE 23 HD2 PHE 23 -0.105 -2.056 6.354
150 HE1 PHE 23 HE1 PHE 23 -2.019 -5.740 8.999
151 HE2 PHE 23 HE2 PHE 23 0.739 -2.512 8.620
152 HZ PHE 23 HZ PHE 23 -0.215 -4.356 9.944
153 H CYS 24 HN CYS 24 -2.474 0.022 6.278
154 HA CYS 24 HA CYS 24 -0.368 1.206 4.638
155 HB2 CYS 24 HB2 CYS 24 -2.278 2.593 5.520
156 HB3 CYS 24 HB1 CYS 24 -1.645 2.301 7.137
157 H GLY 25 HN GLY 25 1.709 1.691 5.474
158 HA2 GLY 25 HA2 GLY 25 2.661 1.308 8.041
159 HA3 GLY 25 HA1 GLY 25 2.752 -0.264 7.275
160 H SER 26 HN SER 26 4.848 -0.606 6.868
161 HA SER 26 HA SER 26 6.249 1.276 5.115
162 HB2 SER 26 HB2 SER 26 7.356 0.257 7.732
163 HB3 SER 26 HB1 SER 26 8.315 1.070 6.496
164 HG SER 26 HG SER 26 6.381 2.689 6.826
165 H THR 27 HN THR 27 5.598 -1.891 6.174
166 HA THR 27 HA THR 27 7.801 -3.362 5.275
167 HB THR 27 HB THR 27 4.952 -4.343 5.213
168 HG1 THR 27 HG1 THR 27 5.018 -4.532 7.396
169 HG21 THR 27 HG21 THR 27 6.639 -5.938 4.408
170 HG22 THR 27 HG22 THR 27 5.944 -6.470 5.939
171 HG23 THR 27 HG23 THR 27 7.546 -5.735 5.907
172 H SER 28 HN SER 28 7.788 -4.910 3.419
173 HA SER 28 HA SER 28 7.406 -3.488 0.942
174 HB2 SER 28 HB2 SER 28 8.590 -6.147 1.689
175 HB3 SER 28 HB1 SER 28 8.441 -5.624 0.011
176 HG SER 28 HG SER 28 10.429 -4.952 0.644
177 H GLU 29 HN GLU 29 4.941 -3.903 1.983
178 HA GLU 29 HA GLU 29 3.663 -5.523 -0.060
179 HB2 GLU 29 HB2 GLU 29 3.205 -5.949 2.904
180 HB3 GLU 29 HB1 GLU 29 2.038 -6.445 1.687
181 HG2 GLU 29 HG2 GLU 29 4.879 -7.398 1.604
182 HG3 GLU 29 HG1 GLU 29 3.666 -8.198 2.601
183 H TYR 30 HN TYR 30 3.311 -3.495 2.759
184 HA TYR 30 HA TYR 30 0.930 -2.170 1.850
185 HB2 TYR 30 HB2 TYR 30 2.553 -0.998 4.029
186 HB3 TYR 30 HB1 TYR 30 0.817 -1.250 3.937
187 HD1 TYR 30 HD1 TYR 30 3.264 -1.959 6.025
188 HD2 TYR 30 HD2 TYR 30 0.612 -4.191 3.552
189 HE1 TYR 30 HE1 TYR 30 3.438 -3.866 7.559
190 HE2 TYR 30 HE2 TYR 30 0.786 -6.103 5.083
191 HH TYR 30 HH TYR 30 2.154 -5.862 8.178
192 H CYS 31 HN CYS 31 4.345 -1.673 1.846
193 HA CYS 31 HA CYS 31 4.019 0.744 0.232
194 HB2 CYS 31 HB2 CYS 31 6.203 0.394 2.292
195 HB3 CYS 31 HB1 CYS 31 5.882 1.818 1.321
196 H SER 32 HN SER 32 4.285 -0.480 -1.623
197 HA SER 32 HA SER 32 6.640 -2.133 -1.960
198 HB2 SER 32 HB2 SER 32 4.306 -1.431 -3.718
199 HB3 SER 32 HB1 SER 32 5.699 -2.309 -4.344
200 HG SER 32 HG SER 32 4.455 -3.917 -3.650
201 H ARG 33 HN ARG 33 8.489 -1.619 -2.885
202 HA ARG 33 HA ARG 33 8.783 1.043 -4.077
203 HB2 ARG 33 HB2 ARG 33 11.248 0.709 -3.672
204 HB3 ARG 33 HB1 ARG 33 10.263 0.821 -2.225
205 HG2 ARG 33 HG2 ARG 33 10.373 -1.598 -1.942
206 HG3 ARG 33 HG1 ARG 33 11.313 -1.741 -3.428
207 HD2 ARG 33 HD2 ARG 33 13.082 -0.369 -2.426
208 HD3 ARG 33 HD1 ARG 33 12.143 -0.251 -0.939
209 HE ARG 33 HE ARG 33 12.433 -2.946 -1.438
210 HH11 ARG 33 HH11 ARG 33 14.618 -0.263 -0.834
211 HH12 ARG 33 HH12 ARG 33 15.831 -1.265 -0.108
212 HH21 ARG 33 HH21 ARG 33 14.034 -4.237 -0.487
213 HH22 ARG 33 HH22 ARG 33 15.500 -3.513 0.086
214 H ALA 34 HN ALA 34 9.252 -2.348 -4.642
215 HA ALA 34 HA ALA 34 10.339 -1.871 -7.317
216 HB1 ALA 34 HB1 ALA 34 11.522 -3.486 -5.907
217 HB2 ALA 34 HB2 ALA 34 10.864 -4.246 -7.355
218 HB3 ALA 34 HB3 ALA 34 10.056 -4.460 -5.802
219 H ASN 35 HN ASN 35 7.549 -3.110 -5.654
220 HA ASN 35 HA ASN 35 6.276 -3.969 -8.137
221 HB2 ASN 35 HB2 ASN 35 5.572 -4.315 -5.229
222 HB3 ASN 35 HB1 ASN 35 4.398 -4.649 -6.498
223 HD21 ASN 35 HD21 ASN 35 7.384 -5.617 -5.017
224 HD22 ASN 35 HD22 ASN 35 7.486 -7.171 -5.763
225 H GLY 36 HN GLY 36 6.402 -1.238 -6.105
226 HA2 GLY 36 HA2 GLY 36 5.498 0.863 -6.689
227 HA3 GLY 36 HA1 GLY 36 4.279 0.047 -7.655
228 H CYS 37 HN CYS 37 4.773 1.807 -4.912
229 HA CYS 37 HA CYS 37 2.724 0.531 -3.284
230 HB2 CYS 37 HB2 CYS 37 3.349 2.031 -1.547
231 HB3 CYS 37 HB1 CYS 37 4.860 1.621 -2.346
232 H GLN 38 HN GLN 38 1.129 2.298 -2.214
233 HA GLN 38 HA GLN 38 -0.133 3.662 -4.503
234 HB2 GLN 38 HB2 GLN 38 -1.434 2.558 -2.009
235 HB3 GLN 38 HB1 GLN 38 -2.270 3.341 -3.340
236 HG2 GLN 38 HG2 GLN 38 -0.580 0.944 -3.887
237 HG3 GLN 38 HG1 GLN 38 -2.180 0.731 -3.177
238 HE21 GLN 38 HE21 GLN 38 -0.391 1.727 -5.980
239 HE22 GLN 38 HE22 GLN 38 -1.726 1.763 -7.077
240 H SER 39 HN SER 39 0.482 3.927 -1.014
241 HA SER 39 HA SER 39 -0.255 6.750 -1.058
242 HB2 SER 39 HB2 SER 39 -1.009 5.124 0.754
243 HB3 SER 39 HB1 SER 39 0.660 5.141 1.322
244 HG SER 39 HG SER 39 -0.729 7.554 0.923
245 H ASN 40 HN ASN 40 1.289 7.823 0.865
246 HA ASN 40 HA ASN 40 3.698 8.487 -0.468
247 HB2 ASN 40 HB2 ASN 40 2.165 9.809 1.210
248 HB3 ASN 40 HB1 ASN 40 3.214 9.087 2.424
249 HD21 ASN 40 HD21 ASN 40 3.015 11.312 -0.237
250 HD22 ASN 40 HD22 ASN 40 4.528 12.099 0.040
251 H CYS 41 HN CYS 41 4.774 6.469 -0.693
252 HA CYS 41 HA CYS 41 5.812 5.271 1.759
253 HB2 CYS 41 HB2 CYS 41 6.462 3.360 0.385
254 HB3 CYS 41 HB1 CYS 41 4.765 3.740 0.114
255 H ARG 42 HN ARG 42 7.059 6.154 -1.416
256 HA ARG 42 HA ARG 42 9.746 6.479 -0.320
257 HB2 ARG 42 HB2 ARG 42 8.726 6.382 -3.158
258 HB3 ARG 42 HB1 ARG 42 10.401 6.718 -2.747
259 HG2 ARG 42 HG2 ARG 42 10.701 4.547 -1.830
260 HG3 ARG 42 HG1 ARG 42 8.971 4.209 -1.899
261 HD2 ARG 42 HD2 ARG 42 10.647 4.755 -4.342
262 HD3 ARG 42 HD1 ARG 42 10.383 3.136 -3.699
263 HE ARG 42 HE ARG 42 7.880 4.269 -4.022
264 HH11 ARG 42 HH11 ARG 42 10.555 3.401 -6.125
265 HH12 ARG 42 HH12 ARG 42 9.535 3.111 -7.494
266 HH21 ARG 42 HH21 ARG 42 6.564 3.883 -5.827
267 HH22 ARG 42 HH22 ARG 42 7.277 3.384 -7.325
268 H GLY 43 HN GLY 43 7.138 8.328 -1.664
269 HA2 GLY 43 HA2 GLY 43 7.481 10.736 -0.630
270 HA3 GLY 43 HA1 GLY 43 8.748 10.762 -1.847
Start of MODEL 8
1 H1 GLN 1 HT1 GLN 1 -3.269 -0.078 10.462
2 H2 GLN 1 HT2 GLN 1 -3.792 -1.674 10.264
3 H3 GLN 1 HT3 GLN 1 -4.820 -0.531 10.968
4 HA GLN 1 HA GLN 1 -3.841 -0.485 8.173
5 HB2 GLN 1 HB2 GLN 1 -6.483 -1.284 9.389
6 HB3 GLN 1 HB1 GLN 1 -6.331 -0.829 7.699
7 HG2 GLN 1 HG2 GLN 1 -4.865 -2.660 7.265
8 HG3 GLN 1 HG1 GLN 1 -4.758 -3.047 8.980
9 HE21 GLN 1 HE21 GLN 1 -6.734 -3.175 6.126
10 HE22 GLN 1 HE22 GLN 1 -7.901 -4.293 6.736
11 H ASN 2 HN ASN 2 -4.044 1.386 7.145
12 HA ASN 2 HA ASN 2 -5.678 3.510 8.362
13 HB2 ASN 2 HB2 ASN 2 -2.907 3.735 7.182
14 HB3 ASN 2 HB1 ASN 2 -3.941 5.132 7.431
15 HD21 ASN 2 HD21 ASN 2 -4.391 5.821 9.520
16 HD22 ASN 2 HD22 ASN 2 -3.467 5.294 10.882
17 H CYS 3 HN CYS 3 -4.424 2.057 5.451
18 HA CYS 3 HA CYS 3 -6.601 3.090 3.869
19 HB2 CYS 3 HB2 CYS 3 -5.421 5.014 3.473
20 HB3 CYS 3 HB1 CYS 3 -3.873 4.250 3.778
21 H GLY 4 HN GLY 4 -6.364 2.425 1.520
22 HA2 GLY 4 HA2 GLY 4 -4.820 0.810 0.181
23 HA3 GLY 4 HA1 GLY 4 -5.368 -0.328 1.397
24 H ARG 5 HN ARG 5 -7.060 -1.523 0.840
25 HA ARG 5 HA ARG 5 -9.033 -0.443 -1.048
26 HB2 ARG 5 HB2 ARG 5 -7.546 -2.055 -2.163
27 HB3 ARG 5 HB1 ARG 5 -7.928 -3.260 -0.943
28 HG2 ARG 5 HG2 ARG 5 -10.162 -3.439 -1.697
29 HG3 ARG 5 HG1 ARG 5 -9.986 -2.032 -2.746
30 HD2 ARG 5 HD2 ARG 5 -8.351 -3.251 -4.104
31 HD3 ARG 5 HD1 ARG 5 -8.522 -4.654 -3.048
32 HE ARG 5 HE ARG 5 -11.048 -3.921 -4.055
33 HH11 ARG 5 HH11 ARG 5 -8.056 -5.397 -5.155
34 HH12 ARG 5 HH12 ARG 5 -8.833 -6.307 -6.408
35 HH21 ARG 5 HH21 ARG 5 -12.041 -5.121 -5.701
36 HH22 ARG 5 HH22 ARG 5 -11.087 -6.149 -6.715
37 H GLN 6 HN GLN 6 -8.382 -2.046 1.888
38 HA GLN 6 HA GLN 6 -11.073 -3.092 2.254
39 HB2 GLN 6 HB2 GLN 6 -8.575 -3.255 3.923
40 HB3 GLN 6 HB1 GLN 6 -10.130 -3.834 4.500
41 HG2 GLN 6 HG2 GLN 6 -10.240 -5.393 2.615
42 HG3 GLN 6 HG1 GLN 6 -8.668 -4.821 2.060
43 HE21 GLN 6 HE21 GLN 6 -10.369 -6.659 4.468
44 HE22 GLN 6 HE22 GLN 6 -8.985 -7.438 5.146
45 H ALA 7 HN ALA 7 -9.156 -0.391 3.265
46 HA ALA 7 HA ALA 7 -10.953 0.384 5.412
47 HB1 ALA 7 HB1 ALA 7 -9.416 2.245 5.750
48 HB2 ALA 7 HB2 ALA 7 -8.563 1.826 4.265
49 HB3 ALA 7 HB3 ALA 7 -8.535 0.721 5.638
50 H GLY 8 HN GLY 8 -11.586 0.376 2.348
51 HA2 GLY 8 HA2 GLY 8 -13.312 1.524 1.245
52 HA3 GLY 8 HA1 GLY 8 -13.148 2.840 2.399
53 H ASN 9 HN ASN 9 -10.271 1.625 0.980
54 HA ASN 9 HA ASN 9 -8.660 2.504 -0.324
55 HB2 ASN 9 HB2 ASN 9 -11.067 3.326 -1.969
56 HB3 ASN 9 HB1 ASN 9 -9.406 3.510 -2.526
57 HD21 ASN 9 HD21 ASN 9 -8.214 1.694 -3.064
58 HD22 ASN 9 HD22 ASN 9 -8.944 0.147 -3.306
59 H ARG 10 HN ARG 10 -8.221 3.921 1.512
60 HA ARG 10 HA ARG 10 -8.836 6.756 1.062
61 HB2 ARG 10 HB2 ARG 10 -7.848 5.215 3.463
62 HB3 ARG 10 HB1 ARG 10 -7.799 6.970 3.409
63 HG2 ARG 10 HG2 ARG 10 -10.236 7.008 3.076
64 HG3 ARG 10 HG1 ARG 10 -10.262 5.249 3.199
65 HD2 ARG 10 HD2 ARG 10 -9.369 5.386 5.466
66 HD3 ARG 10 HD1 ARG 10 -9.310 7.144 5.343
67 HE ARG 10 HE ARG 10 -11.929 6.160 4.841
68 HH11 ARG 10 HH11 ARG 10 -9.709 6.850 7.472
69 HH12 ARG 10 HH12 ARG 10 -10.975 7.099 8.627
70 HH21 ARG 10 HH21 ARG 10 -13.158 6.896 8.003
71 HH22 ARG 10 HH22 ARG 10 -13.570 6.491 6.370
72 H ALA 11 HN ALA 11 -6.523 7.736 2.540
73 HA ALA 11 HA ALA 11 -4.237 6.920 0.897
74 HB1 ALA 11 HB1 ALA 11 -5.249 8.825 -0.258
75 HB2 ALA 11 HB2 ALA 11 -3.655 9.224 0.380
76 HB3 ALA 11 HB3 ALA 11 -5.103 9.790 1.212
77 H CYS 12 HN CYS 12 -2.361 6.820 2.003
78 HA CYS 12 HA CYS 12 -2.387 7.685 4.806
79 HB2 CYS 12 HB2 CYS 12 -0.703 5.734 3.254
80 HB3 CYS 12 HB1 CYS 12 -0.211 6.299 4.848
81 H ALA 13 HN ALA 13 -1.564 9.606 5.267
82 HA ALA 13 HA ALA 13 0.936 10.465 4.002
83 HB1 ALA 13 HB1 ALA 13 -0.864 11.503 2.709
84 HB2 ALA 13 HB2 ALA 13 0.090 12.705 3.577
85 HB3 ALA 13 HB3 ALA 13 -1.498 12.235 4.183
86 H ASN 14 HN ASN 14 0.045 9.497 6.728
87 HA ASN 14 HA ASN 14 0.518 11.838 8.393
88 HB2 ASN 14 HB2 ASN 14 -0.301 9.017 9.062
89 HB3 ASN 14 HB1 ASN 14 0.086 10.215 10.293
90 HD21 ASN 14 HD21 ASN 14 -1.292 11.966 10.602
91 HD22 ASN 14 HD22 ASN 14 -2.908 11.979 9.993
92 H GLN 15 HN GLN 15 1.777 8.526 8.439
93 HA GLN 15 HA GLN 15 4.511 9.501 8.644
94 HB2 GLN 15 HB2 GLN 15 3.327 9.128 10.991
95 HB3 GLN 15 HB1 GLN 15 3.722 7.447 10.665
96 HG2 GLN 15 HG2 GLN 15 5.518 8.189 11.927
97 HG3 GLN 15 HG1 GLN 15 6.116 8.298 10.273
98 HE21 GLN 15 HE21 GLN 15 6.410 10.324 9.337
99 HE22 GLN 15 HE22 GLN 15 6.474 11.771 10.279
100 H LEU 16 HN LEU 16 2.296 6.819 8.387
101 HA LEU 16 HA LEU 16 4.385 5.128 7.218
102 HB2 LEU 16 HB2 LEU 16 2.608 3.299 7.410
103 HB3 LEU 16 HB1 LEU 16 3.293 3.891 8.906
104 HG LEU 16 HG LEU 16 0.679 4.981 7.900
105 HD11 LEU 16 HD11 LEU 16 1.005 2.498 9.577
106 HD12 LEU 16 HD12 LEU 16 0.477 2.533 7.893
107 HD13 LEU 16 HD13 LEU 16 -0.514 3.280 9.143
108 HD21 LEU 16 HD21 LEU 16 1.789 6.098 9.802
109 HD22 LEU 16 HD22 LEU 16 1.771 4.574 10.687
110 HD23 LEU 16 HD23 LEU 16 0.253 5.365 10.264
111 H CYS 17 HN CYS 17 2.791 3.434 5.627
112 HA CYS 17 HA CYS 17 1.424 5.114 3.705
113 HB2 CYS 17 HB2 CYS 17 2.939 4.129 1.838
114 HB3 CYS 17 HB1 CYS 17 3.541 5.491 2.777
115 H CYS 18 HN CYS 18 0.102 4.125 2.320
116 HA CYS 18 HA CYS 18 -0.352 1.252 2.751
117 HB2 CYS 18 HB2 CYS 18 -2.657 1.728 1.969
118 HB3 CYS 18 HB1 CYS 18 -2.218 2.716 3.359
119 H SER 19 HN SER 19 -1.189 0.001 1.024
120 HA SER 19 HA SER 19 -0.318 0.817 -1.669
121 HB2 SER 19 HB2 SER 19 0.172 -1.649 -2.065
122 HB3 SER 19 HB1 SER 19 1.255 -0.866 -0.914
123 HG SER 19 HG SER 19 0.442 -2.928 -0.213
124 H GLN 20 HN GLN 20 -1.420 -0.887 -3.328
125 HA GLN 20 HA GLN 20 -4.265 -0.541 -2.972
126 HB2 GLN 20 HB2 GLN 20 -2.809 -0.339 -5.159
127 HB3 GLN 20 HB1 GLN 20 -3.077 -2.073 -5.262
128 HG2 GLN 20 HG2 GLN 20 -5.493 -1.700 -5.254
129 HG3 GLN 20 HG1 GLN 20 -5.222 0.039 -5.152
130 HE21 GLN 20 HE21 GLN 20 -4.434 1.142 -6.948
131 HE22 GLN 20 HE22 GLN 20 -4.470 0.458 -8.534
132 H TYR 21 HN TYR 21 -4.241 -1.930 -1.025
133 HA TYR 21 HA TYR 21 -5.049 -4.635 -1.673
134 HB2 TYR 21 HB2 TYR 21 -2.763 -5.133 -1.274
135 HB3 TYR 21 HB1 TYR 21 -2.665 -4.000 0.064
136 HD1 TYR 21 HD1 TYR 21 -3.884 -7.326 -0.957
137 HD2 TYR 21 HD2 TYR 21 -3.206 -4.672 2.291
138 HE1 TYR 21 HE1 TYR 21 -4.245 -9.181 0.617
139 HE2 TYR 21 HE2 TYR 21 -3.563 -6.520 3.880
140 HH TYR 21 HH TYR 21 -3.652 -9.775 2.926
141 H GLY 22 HN GLY 22 -4.289 -2.545 1.061
142 HA2 GLY 22 HA2 GLY 22 -6.482 -1.743 2.209
143 HA3 GLY 22 HA1 GLY 22 -6.700 -3.464 2.466
144 H PHE 23 HN PHE 23 -3.463 -2.258 2.518
145 HA PHE 23 HA PHE 23 -3.478 -2.173 5.443
146 HB2 PHE 23 HB2 PHE 23 -2.688 -4.418 4.363
147 HB3 PHE 23 HB1 PHE 23 -1.214 -3.530 4.032
148 HD1 PHE 23 HD1 PHE 23 -0.651 -2.021 6.433
149 HD2 PHE 23 HD2 PHE 23 -2.358 -5.908 6.051
150 HE1 PHE 23 HE1 PHE 23 0.140 -2.592 8.690
151 HE2 PHE 23 HE2 PHE 23 -1.571 -6.476 8.308
152 HZ PHE 23 HZ PHE 23 -0.319 -4.819 9.630
153 H CYS 24 HN CYS 24 -2.458 -0.501 6.259
154 HA CYS 24 HA CYS 24 -0.450 0.951 4.687
155 HB2 CYS 24 HB2 CYS 24 -2.587 2.107 5.506
156 HB3 CYS 24 HB1 CYS 24 -1.904 1.948 7.120
157 H GLY 25 HN GLY 25 1.553 1.452 5.622
158 HA2 GLY 25 HA2 GLY 25 2.337 1.236 8.259
159 HA3 GLY 25 HA1 GLY 25 2.501 -0.380 7.606
160 H SER 26 HN SER 26 4.623 -0.703 7.401
161 HA SER 26 HA SER 26 6.157 1.114 5.681
162 HB2 SER 26 HB2 SER 26 6.543 1.587 8.165
163 HB3 SER 26 HB1 SER 26 7.340 0.016 8.222
164 HG SER 26 HG SER 26 8.650 0.883 6.412
165 H THR 27 HN THR 27 5.569 -2.032 6.950
166 HA THR 27 HA THR 27 7.818 -3.479 6.147
167 HB THR 27 HB THR 27 5.019 -4.591 6.096
168 HG1 THR 27 HG1 THR 27 4.855 -3.921 8.087
169 HG21 THR 27 HG21 THR 27 6.807 -6.156 5.480
170 HG22 THR 27 HG22 THR 27 6.080 -6.603 7.023
171 HG23 THR 27 HG23 THR 27 7.646 -5.794 6.989
172 H SER 28 HN SER 28 7.920 -5.120 4.383
173 HA SER 28 HA SER 28 7.451 -3.870 1.836
174 HB2 SER 28 HB2 SER 28 8.716 -6.507 2.585
175 HB3 SER 28 HB1 SER 28 8.662 -5.860 0.946
176 HG SER 28 HG SER 28 10.449 -4.906 1.512
177 H GLU 29 HN GLU 29 5.056 -3.999 2.375
178 HA GLU 29 HA GLU 29 3.848 -6.016 0.703
179 HB2 GLU 29 HB2 GLU 29 3.198 -5.833 3.651
180 HB3 GLU 29 HB1 GLU 29 2.042 -6.463 2.489
181 HG2 GLU 29 HG2 GLU 29 4.798 -7.618 2.757
182 HG3 GLU 29 HG1 GLU 29 3.465 -8.134 3.787
183 H TYR 30 HN TYR 30 3.513 -3.340 2.888
184 HA TYR 30 HA TYR 30 1.202 -2.261 1.480
185 HB2 TYR 30 HB2 TYR 30 2.177 -0.589 3.630
186 HB3 TYR 30 HB1 TYR 30 0.611 -1.366 3.458
187 HD1 TYR 30 HD1 TYR 30 3.274 -1.055 5.586
188 HD2 TYR 30 HD2 TYR 30 0.871 -4.125 3.882
189 HE1 TYR 30 HE1 TYR 30 3.813 -2.524 7.476
190 HE2 TYR 30 HE2 TYR 30 1.404 -5.601 5.771
191 HH TYR 30 HH TYR 30 2.863 -4.484 8.620
192 H CYS 31 HN CYS 31 4.594 -1.802 1.869
193 HA CYS 31 HA CYS 31 4.548 0.345 -0.092
194 HB2 CYS 31 HB2 CYS 31 6.371 0.620 2.289
195 HB3 CYS 31 HB1 CYS 31 5.903 1.849 1.119
196 H SER 32 HN SER 32 5.346 -1.014 -1.659
197 HA SER 32 HA SER 32 8.135 -1.888 -1.259
198 HB2 SER 32 HB2 SER 32 5.949 -3.546 -2.528
199 HB3 SER 32 HB1 SER 32 7.658 -3.979 -2.496
200 HG SER 32 HG SER 32 7.014 -4.940 -0.712
201 H ARG 33 HN ARG 33 5.796 -0.481 -3.342
202 HA ARG 33 HA ARG 33 5.949 0.666 -5.298
203 HB2 ARG 33 HB2 ARG 33 8.290 1.281 -4.450
204 HB3 ARG 33 HB1 ARG 33 8.888 0.009 -5.498
205 HG2 ARG 33 HG2 ARG 33 9.185 1.910 -6.781
206 HG3 ARG 33 HG1 ARG 33 7.652 1.282 -7.381
207 HD2 ARG 33 HD2 ARG 33 7.751 3.345 -5.199
208 HD3 ARG 33 HD1 ARG 33 7.840 3.803 -6.897
209 HE ARG 33 HE ARG 33 5.616 2.090 -6.287
210 HH11 ARG 33 HH11 ARG 33 6.681 5.435 -6.372
211 HH12 ARG 33 HH12 ARG 33 5.074 6.064 -6.516
212 HH21 ARG 33 HH21 ARG 33 3.520 2.935 -6.486
213 HH22 ARG 33 HH22 ARG 33 3.287 4.649 -6.580
214 H ALA 34 HN ALA 34 7.738 -2.355 -5.301
215 HA ALA 34 HA ALA 34 6.988 -2.937 -8.053
216 HB1 ALA 34 HB1 ALA 34 9.256 -3.482 -7.301
217 HB2 ALA 34 HB2 ALA 34 8.380 -4.925 -7.815
218 HB3 ALA 34 HB3 ALA 34 8.588 -4.585 -6.096
219 H ASN 35 HN ASN 35 6.058 -3.715 -4.832
220 HA ASN 35 HA ASN 35 3.892 -5.436 -5.826
221 HB2 ASN 35 HB2 ASN 35 5.664 -5.937 -3.430
222 HB3 ASN 35 HB1 ASN 35 4.119 -6.749 -3.666
223 HD21 ASN 35 HD21 ASN 35 3.903 -8.257 -5.319
224 HD22 ASN 35 HD22 ASN 35 5.272 -8.960 -6.103
225 H GLY 36 HN GLY 36 4.958 -2.860 -3.859
226 HA2 GLY 36 HA2 GLY 36 2.211 -2.329 -2.994
227 HA3 GLY 36 HA1 GLY 36 3.457 -2.407 -1.758
228 H CYS 37 HN CYS 37 3.362 -0.298 -1.108
229 HA CYS 37 HA CYS 37 3.612 1.961 -1.072
230 HB2 CYS 37 HB2 CYS 37 5.942 1.475 -1.336
231 HB3 CYS 37 HB1 CYS 37 5.759 1.207 -3.060
232 H GLN 38 HN GLN 38 1.713 2.740 -1.715
233 HA GLN 38 HA GLN 38 1.521 3.609 -4.526
234 HB2 GLN 38 HB2 GLN 38 -0.790 2.772 -2.759
235 HB3 GLN 38 HB1 GLN 38 -0.896 3.288 -4.434
236 HG2 GLN 38 HG2 GLN 38 0.803 0.937 -3.731
237 HG3 GLN 38 HG1 GLN 38 -0.947 0.748 -3.827
238 HE21 GLN 38 HE21 GLN 38 1.971 1.397 -5.590
239 HE22 GLN 38 HE22 GLN 38 1.309 1.187 -7.173
240 H SER 39 HN SER 39 0.677 4.238 -1.148
241 HA SER 39 HA SER 39 -0.171 6.951 -1.674
242 HB2 SER 39 HB2 SER 39 -0.987 5.314 0.170
243 HB3 SER 39 HB1 SER 39 0.465 5.820 1.037
244 HG SER 39 HG SER 39 -1.841 7.253 0.431
245 H ASN 40 HN ASN 40 1.059 7.983 0.823
246 HA ASN 40 HA ASN 40 3.500 9.003 -0.290
247 HB2 ASN 40 HB2 ASN 40 1.724 10.157 1.263
248 HB3 ASN 40 HB1 ASN 40 2.667 9.432 2.561
249 HD21 ASN 40 HD21 ASN 40 4.771 10.137 2.928
250 HD22 ASN 40 HD22 ASN 40 5.369 11.621 2.278
251 H CYS 41 HN CYS 41 4.623 6.986 -0.497
252 HA CYS 41 HA CYS 41 5.655 5.875 2.004
253 HB2 CYS 41 HB2 CYS 41 6.513 4.091 0.154
254 HB3 CYS 41 HB1 CYS 41 4.968 3.961 0.980
255 H ARG 42 HN ARG 42 6.817 6.435 -1.283
256 HA ARG 42 HA ARG 42 9.523 6.885 -0.295
257 HB2 ARG 42 HB2 ARG 42 8.334 6.188 -2.927
258 HB3 ARG 42 HB1 ARG 42 9.821 7.119 -2.949
259 HG2 ARG 42 HG2 ARG 42 10.577 4.939 -3.087
260 HG3 ARG 42 HG1 ARG 42 10.732 5.288 -1.368
261 HD2 ARG 42 HD2 ARG 42 8.299 3.941 -2.522
262 HD3 ARG 42 HD1 ARG 42 9.727 3.036 -2.023
263 HE ARG 42 HE ARG 42 8.458 4.820 -0.082
264 HH11 ARG 42 HH11 ARG 42 9.131 1.531 -1.115
265 HH12 ARG 42 HH12 ARG 42 8.678 0.838 0.406
266 HH21 ARG 42 HH21 ARG 42 7.869 3.891 1.901
267 HH22 ARG 42 HH22 ARG 42 7.963 2.174 2.111
268 H GLY 43 HN GLY 43 6.861 8.607 -1.691
269 HA2 GLY 43 HA2 GLY 43 8.477 11.039 -2.025
270 HA3 GLY 43 HA1 GLY 43 6.866 10.782 -2.679
Start of MODEL 9
1 H1 GLN 1 HT1 GLN 1 -3.311 -2.137 10.271
2 H2 GLN 1 HT2 GLN 1 -4.117 -0.927 11.133
3 H3 GLN 1 HT3 GLN 1 -2.597 -0.616 10.462
4 HA GLN 1 HA GLN 1 -3.467 -0.849 8.245
5 HB2 GLN 1 HB2 GLN 1 -6.014 -1.442 9.744
6 HB3 GLN 1 HB1 GLN 1 -6.026 -0.896 8.073
7 HG2 GLN 1 HG2 GLN 1 -4.741 -2.835 7.399
8 HG3 GLN 1 HG1 GLN 1 -4.630 -3.368 9.075
9 HE21 GLN 1 HE21 GLN 1 -6.702 -3.005 6.310
10 HE22 GLN 1 HE22 GLN 1 -7.983 -4.012 6.882
11 H ASN 2 HN ASN 2 -4.063 0.996 7.151
12 HA ASN 2 HA ASN 2 -5.136 3.245 8.688
13 HB2 ASN 2 HB2 ASN 2 -2.404 3.045 7.642
14 HB3 ASN 2 HB1 ASN 2 -3.245 4.478 7.066
15 HD21 ASN 2 HD21 ASN 2 -3.791 6.085 8.496
16 HD22 ASN 2 HD22 ASN 2 -3.207 6.139 10.121
17 H CYS 3 HN CYS 3 -4.729 1.577 5.695
18 HA CYS 3 HA CYS 3 -6.925 2.869 4.446
19 HB2 CYS 3 HB2 CYS 3 -5.657 4.734 3.934
20 HB3 CYS 3 HB1 CYS 3 -4.164 3.824 3.863
21 H GLY 4 HN GLY 4 -6.925 2.281 1.972
22 HA2 GLY 4 HA2 GLY 4 -5.988 0.665 0.344
23 HA3 GLY 4 HA1 GLY 4 -5.923 -0.479 1.670
24 H ARG 5 HN ARG 5 -7.175 -1.766 0.034
25 HA ARG 5 HA ARG 5 -9.931 -1.007 -0.373
26 HB2 ARG 5 HB2 ARG 5 -8.388 -2.297 -2.017
27 HB3 ARG 5 HB1 ARG 5 -8.814 -3.710 -1.057
28 HG2 ARG 5 HG2 ARG 5 -11.161 -3.361 -1.528
29 HG3 ARG 5 HG1 ARG 5 -10.783 -1.887 -2.421
30 HD2 ARG 5 HD2 ARG 5 -9.492 -3.201 -4.038
31 HD3 ARG 5 HD1 ARG 5 -9.867 -4.673 -3.142
32 HE ARG 5 HE ARG 5 -12.282 -3.451 -3.792
33 HH11 ARG 5 HH11 ARG 5 -9.614 -4.964 -5.503
34 HH12 ARG 5 HH12 ARG 5 -10.604 -5.474 -6.829
35 HH21 ARG 5 HH21 ARG 5 -13.558 -4.130 -5.538
36 HH22 ARG 5 HH22 ARG 5 -12.835 -5.001 -6.848
37 H GLN 6 HN GLN 6 -9.963 -0.904 2.068
38 HA GLN 6 HA GLN 6 -11.557 -3.068 3.080
39 HB2 GLN 6 HB2 GLN 6 -8.812 -2.555 4.171
40 HB3 GLN 6 HB1 GLN 6 -10.091 -3.060 5.266
41 HG2 GLN 6 HG2 GLN 6 -10.427 -5.087 3.995
42 HG3 GLN 6 HG1 GLN 6 -9.228 -4.572 2.810
43 HE21 GLN 6 HE21 GLN 6 -9.757 -5.781 6.023
44 HE22 GLN 6 HE22 GLN 6 -8.119 -6.221 6.348
45 H ALA 7 HN ALA 7 -9.940 -0.028 3.570
46 HA ALA 7 HA ALA 7 -11.907 0.848 5.561
47 HB1 ALA 7 HB1 ALA 7 -10.401 2.735 5.940
48 HB2 ALA 7 HB2 ALA 7 -9.364 2.184 4.624
49 HB3 ALA 7 HB3 ALA 7 -9.535 1.204 6.081
50 H GLY 8 HN GLY 8 -11.315 0.991 2.243
51 HA2 GLY 8 HA2 GLY 8 -12.858 1.928 0.698
52 HA3 GLY 8 HA1 GLY 8 -13.298 3.129 1.904
53 H ASN 9 HN ASN 9 -9.987 2.277 1.110
54 HA ASN 9 HA ASN 9 -8.198 3.494 0.455
55 HB2 ASN 9 HB2 ASN 9 -10.216 4.402 -1.604
56 HB3 ASN 9 HB1 ASN 9 -8.507 4.813 -1.689
57 HD21 ASN 9 HD21 ASN 9 -7.001 3.198 -2.117
58 HD22 ASN 9 HD22 ASN 9 -7.461 1.667 -2.774
59 H ARG 10 HN ARG 10 -8.065 4.671 2.407
60 HA ARG 10 HA ARG 10 -9.096 7.410 2.410
61 HB2 ARG 10 HB2 ARG 10 -7.850 5.666 4.525
62 HB3 ARG 10 HB1 ARG 10 -8.084 7.390 4.772
63 HG2 ARG 10 HG2 ARG 10 -10.496 7.101 4.405
64 HG3 ARG 10 HG1 ARG 10 -10.243 5.367 4.205
65 HD2 ARG 10 HD2 ARG 10 -9.419 6.860 6.684
66 HD3 ARG 10 HD1 ARG 10 -11.020 6.148 6.491
67 HE ARG 10 HE ARG 10 -9.053 4.203 5.952
68 HH11 ARG 10 HH11 ARG 10 -10.404 5.955 8.680
69 HH12 ARG 10 HH12 ARG 10 -10.033 4.702 9.816
70 HH21 ARG 10 HH21 ARG 10 -9.001 2.789 9.122
71 HH22 ARG 10 HH22 ARG 10 -8.579 2.574 7.456
72 H ALA 11 HN ALA 11 -6.278 5.774 1.551
73 HA ALA 11 HA ALA 11 -4.191 6.362 0.909
74 HB1 ALA 11 HB1 ALA 11 -3.726 8.628 0.194
75 HB2 ALA 11 HB2 ALA 11 -5.171 9.210 1.022
76 HB3 ALA 11 HB3 ALA 11 -5.323 8.126 -0.361
77 H CYS 12 HN CYS 12 -2.265 6.485 1.918
78 HA CYS 12 HA CYS 12 -2.273 7.615 4.640
79 HB2 CYS 12 HB2 CYS 12 -0.503 5.491 3.418
80 HB3 CYS 12 HB1 CYS 12 -0.346 6.107 5.060
81 H ALA 13 HN ALA 13 -1.226 9.431 4.979
82 HA ALA 13 HA ALA 13 1.225 10.036 3.491
83 HB1 ALA 13 HB1 ALA 13 -0.950 12.088 3.835
84 HB2 ALA 13 HB2 ALA 13 -0.735 11.130 2.372
85 HB3 ALA 13 HB3 ALA 13 0.537 12.233 2.896
86 H ASN 14 HN ASN 14 0.394 9.294 6.342
87 HA ASN 14 HA ASN 14 1.236 11.649 7.825
88 HB2 ASN 14 HB2 ASN 14 0.146 8.986 8.714
89 HB3 ASN 14 HB1 ASN 14 0.741 10.197 9.845
90 HD21 ASN 14 HD21 ASN 14 -1.748 9.373 7.569
91 HD22 ASN 14 HD22 ASN 14 -2.867 10.602 8.038
92 H GLN 15 HN GLN 15 2.102 8.228 8.142
93 HA GLN 15 HA GLN 15 4.942 8.900 8.096
94 HB2 GLN 15 HB2 GLN 15 3.550 7.596 10.427
95 HB3 GLN 15 HB1 GLN 15 5.274 7.401 10.147
96 HG2 GLN 15 HG2 GLN 15 5.577 9.819 10.314
97 HG3 GLN 15 HG1 GLN 15 3.846 10.015 10.591
98 HE21 GLN 15 HE21 GLN 15 2.962 9.371 12.555
99 HE22 GLN 15 HE22 GLN 15 3.938 9.079 13.950
100 H LEU 16 HN LEU 16 2.419 6.518 7.983
101 HA LEU 16 HA LEU 16 4.289 4.485 7.015
102 HB2 LEU 16 HB2 LEU 16 2.268 2.932 7.226
103 HB3 LEU 16 HB1 LEU 16 2.978 3.518 8.711
104 HG LEU 16 HG LEU 16 0.538 4.823 7.524
105 HD11 LEU 16 HD11 LEU 16 -0.783 3.392 9.062
106 HD12 LEU 16 HD12 LEU 16 0.664 2.432 9.352
107 HD13 LEU 16 HD13 LEU 16 -0.039 2.500 7.734
108 HD21 LEU 16 HD21 LEU 16 0.109 5.419 9.883
109 HD22 LEU 16 HD22 LEU 16 1.646 6.063 9.310
110 HD23 LEU 16 HD23 LEU 16 1.620 4.635 10.342
111 H CYS 17 HN CYS 17 2.523 2.925 5.423
112 HA CYS 17 HA CYS 17 1.707 4.744 3.301
113 HB2 CYS 17 HB2 CYS 17 3.291 2.440 2.352
114 HB3 CYS 17 HB1 CYS 17 3.180 4.066 1.704
115 H CYS 18 HN CYS 18 0.159 4.186 2.043
116 HA CYS 18 HA CYS 18 -1.248 1.679 2.556
117 HB2 CYS 18 HB2 CYS 18 -2.475 3.767 2.782
118 HB3 CYS 18 HB1 CYS 18 -2.069 4.207 1.139
119 H SER 19 HN SER 19 -1.975 0.334 0.965
120 HA SER 19 HA SER 19 -1.078 0.756 -1.785
121 HB2 SER 19 HB2 SER 19 -0.579 -1.737 -1.912
122 HB3 SER 19 HB1 SER 19 0.559 -0.791 -0.954
123 HG SER 19 HG SER 19 0.081 -2.073 0.627
124 H GLN 20 HN GLN 20 -2.273 -0.565 -3.384
125 HA GLN 20 HA GLN 20 -5.084 -0.550 -2.821
126 HB2 GLN 20 HB2 GLN 20 -3.477 -1.336 -5.251
127 HB3 GLN 20 HB1 GLN 20 -5.225 -1.507 -5.194
128 HG2 GLN 20 HG2 GLN 20 -5.445 0.898 -4.797
129 HG3 GLN 20 HG1 GLN 20 -3.690 1.064 -4.867
130 HE21 GLN 20 HE21 GLN 20 -6.594 0.481 -6.682
131 HE22 GLN 20 HE22 GLN 20 -5.908 0.720 -8.248
132 H TYR 21 HN TYR 21 -5.069 -2.045 -1.063
133 HA TYR 21 HA TYR 21 -5.719 -4.739 -1.834
134 HB2 TYR 21 HB2 TYR 21 -3.322 -5.051 -1.619
135 HB3 TYR 21 HB1 TYR 21 -3.295 -4.175 -0.099
136 HD1 TYR 21 HD1 TYR 21 -4.043 -5.264 1.979
137 HD2 TYR 21 HD2 TYR 21 -3.980 -7.366 -1.714
138 HE1 TYR 21 HE1 TYR 21 -4.229 -7.396 3.194
139 HE2 TYR 21 HE2 TYR 21 -4.173 -9.504 -0.514
140 HH TYR 21 HH TYR 21 -3.698 -10.405 1.724
141 H GLY 22 HN GLY 22 -4.884 -2.671 0.870
142 HA2 GLY 22 HA2 GLY 22 -6.963 -2.056 2.263
143 HA3 GLY 22 HA1 GLY 22 -7.069 -3.794 2.484
144 H PHE 23 HN PHE 23 -3.871 -2.799 2.189
145 HA PHE 23 HA PHE 23 -3.548 -2.741 5.101
146 HB2 PHE 23 HB2 PHE 23 -2.726 -4.812 3.647
147 HB3 PHE 23 HB1 PHE 23 -1.326 -3.778 3.418
148 HD1 PHE 23 HD1 PHE 23 -1.093 -2.508 6.109
149 HD2 PHE 23 HD2 PHE 23 -1.974 -6.525 4.991
150 HE1 PHE 23 HE1 PHE 23 -0.209 -3.301 8.263
151 HE2 PHE 23 HE2 PHE 23 -1.094 -7.317 7.145
152 HZ PHE 23 HZ PHE 23 -0.210 -5.706 8.784
153 H CYS 24 HN CYS 24 -2.587 -1.030 5.904
154 HA CYS 24 HA CYS 24 -0.600 0.426 4.309
155 HB2 CYS 24 HB2 CYS 24 -2.609 1.789 4.400
156 HB3 CYS 24 HB1 CYS 24 -2.717 1.574 6.140
157 H GLY 25 HN GLY 25 1.321 0.731 5.305
158 HA2 GLY 25 HA2 GLY 25 1.712 0.926 8.096
159 HA3 GLY 25 HA1 GLY 25 2.025 -0.721 7.582
160 H SER 26 HN SER 26 4.206 -0.756 7.939
161 HA SER 26 HA SER 26 5.828 1.065 6.280
162 HB2 SER 26 HB2 SER 26 6.399 0.029 9.050
163 HB3 SER 26 HB1 SER 26 7.590 0.851 8.046
164 HG SER 26 HG SER 26 6.133 2.653 7.997
165 H THR 27 HN THR 27 5.152 -2.169 7.172
166 HA THR 27 HA THR 27 7.590 -3.436 6.608
167 HB THR 27 HB THR 27 4.945 -4.759 6.121
168 HG1 THR 27 HG1 THR 27 4.419 -4.189 8.089
169 HG21 THR 27 HG21 THR 27 7.520 -5.745 7.366
170 HG22 THR 27 HG22 THR 27 6.960 -6.107 5.734
171 HG23 THR 27 HG23 THR 27 6.060 -6.706 7.128
172 H SER 28 HN SER 28 8.087 -4.870 4.800
173 HA SER 28 HA SER 28 7.784 -3.499 2.291
174 HB2 SER 28 HB2 SER 28 9.260 -6.026 3.025
175 HB3 SER 28 HB1 SER 28 9.335 -5.243 1.447
176 HG SER 28 HG SER 28 10.398 -3.549 2.324
177 H GLU 29 HN GLU 29 5.410 -3.895 2.439
178 HA GLU 29 HA GLU 29 4.665 -5.971 0.574
179 HB2 GLU 29 HB2 GLU 29 3.545 -5.896 3.385
180 HB3 GLU 29 HB1 GLU 29 2.658 -6.615 2.052
181 HG2 GLU 29 HG2 GLU 29 5.434 -7.506 2.753
182 HG3 GLU 29 HG1 GLU 29 4.014 -8.159 3.568
183 H TYR 30 HN TYR 30 3.755 -3.403 2.728
184 HA TYR 30 HA TYR 30 1.723 -2.428 0.881
185 HB2 TYR 30 HB2 TYR 30 1.838 -0.799 3.205
186 HB3 TYR 30 HB1 TYR 30 0.562 -1.912 2.733
187 HD1 TYR 30 HD1 TYR 30 3.029 -1.173 5.177
188 HD2 TYR 30 HD2 TYR 30 0.943 -4.429 3.400
189 HE1 TYR 30 HE1 TYR 30 3.521 -2.563 7.140
190 HE2 TYR 30 HE2 TYR 30 1.434 -5.825 5.359
191 HH TYR 30 HH TYR 30 2.622 -4.552 8.268
192 H CYS 31 HN CYS 31 4.799 -1.650 2.276
193 HA CYS 31 HA CYS 31 4.885 0.803 0.663
194 HB2 CYS 31 HB2 CYS 31 4.781 1.064 3.243
195 HB3 CYS 31 HB1 CYS 31 6.455 0.528 3.207
196 H SER 32 HN SER 32 5.837 -0.331 -1.054
197 HA SER 32 HA SER 32 8.715 -0.837 -0.631
198 HB2 SER 32 HB2 SER 32 7.480 -2.999 -0.824
199 HB3 SER 32 HB1 SER 32 6.947 -2.509 -2.431
200 HG SER 32 HG SER 32 9.686 -2.518 -1.788
201 H ARG 33 HN ARG 33 10.070 -0.273 -2.368
202 HA ARG 33 HA ARG 33 8.874 1.701 -4.141
203 HB2 ARG 33 HB2 ARG 33 11.247 2.326 -4.658
204 HB3 ARG 33 HB1 ARG 33 10.783 2.506 -2.976
205 HG2 ARG 33 HG2 ARG 33 11.947 0.414 -2.433
206 HG3 ARG 33 HG1 ARG 33 12.416 0.243 -4.125
207 HD2 ARG 33 HD2 ARG 33 13.652 2.351 -3.993
208 HD3 ARG 33 HD1 ARG 33 13.179 2.523 -2.303
209 HE ARG 33 HE ARG 33 14.464 0.048 -2.650
210 HH11 ARG 33 HH11 ARG 33 15.257 3.469 -2.634
211 HH12 ARG 33 HH12 ARG 33 16.891 3.204 -2.119
212 HH21 ARG 33 HH21 ARG 33 16.604 -0.274 -1.979
213 HH22 ARG 33 HH22 ARG 33 17.651 1.087 -1.750
214 H ALA 34 HN ALA 34 9.538 -1.538 -4.376
215 HA ALA 34 HA ALA 34 9.791 -1.368 -7.307
216 HB1 ALA 34 HB1 ALA 34 11.066 -3.457 -5.548
217 HB2 ALA 34 HB2 ALA 34 11.906 -2.114 -6.323
218 HB3 ALA 34 HB3 ALA 34 11.161 -3.374 -7.306
219 H ASN 35 HN ASN 35 8.054 -2.587 -4.639
220 HA ASN 35 HA ASN 35 6.382 -4.215 -6.428
221 HB2 ASN 35 HB2 ASN 35 7.499 -5.051 -3.755
222 HB3 ASN 35 HB1 ASN 35 6.096 -5.833 -4.475
223 HD21 ASN 35 HD21 ASN 35 9.520 -5.312 -4.697
224 HD22 ASN 35 HD22 ASN 35 9.844 -6.561 -5.845
225 H GLY 36 HN GLY 36 6.573 -1.820 -4.037
226 HA2 GLY 36 HA2 GLY 36 3.672 -2.049 -3.524
227 HA3 GLY 36 HA1 GLY 36 4.806 -1.563 -2.277
228 H CYS 37 HN CYS 37 4.571 0.467 -1.818
229 HA CYS 37 HA CYS 37 3.952 2.653 -1.909
230 HB2 CYS 37 HB2 CYS 37 6.095 2.333 -3.955
231 HB3 CYS 37 HB1 CYS 37 5.316 3.901 -3.770
232 H GLN 38 HN GLN 38 1.852 2.853 -2.339
233 HA GLN 38 HA GLN 38 1.122 3.345 -5.153
234 HB2 GLN 38 HB2 GLN 38 -0.715 2.273 -3.007
235 HB3 GLN 38 HB1 GLN 38 -1.083 2.453 -4.713
236 HG2 GLN 38 HG2 GLN 38 1.220 0.724 -3.930
237 HG3 GLN 38 HG1 GLN 38 -0.414 0.102 -3.714
238 HE21 GLN 38 HE21 GLN 38 -1.709 -0.261 -5.528
239 HE22 GLN 38 HE22 GLN 38 -1.042 -0.375 -7.118
240 H SER 39 HN SER 39 0.273 4.070 -1.756
241 HA SER 39 HA SER 39 -0.760 6.687 -2.534
242 HB2 SER 39 HB2 SER 39 -1.864 5.159 -0.831
243 HB3 SER 39 HB1 SER 39 -0.507 5.514 0.239
244 HG SER 39 HG SER 39 -1.395 7.358 0.689
245 H ASN 40 HN ASN 40 0.015 8.130 -0.182
246 HA ASN 40 HA ASN 40 2.613 9.018 -0.938
247 HB2 ASN 40 HB2 ASN 40 0.722 9.706 1.289
248 HB3 ASN 40 HB1 ASN 40 2.348 10.381 1.256
249 HD21 ASN 40 HD21 ASN 40 2.910 11.824 -0.383
250 HD22 ASN 40 HD22 ASN 40 1.719 12.624 -1.345
251 H CYS 41 HN CYS 41 3.933 7.197 -0.758
252 HA CYS 41 HA CYS 41 4.375 6.041 1.890
253 HB2 CYS 41 HB2 CYS 41 5.577 4.284 0.771
254 HB3 CYS 41 HB1 CYS 41 4.128 4.596 -0.178
255 H ARG 42 HN ARG 42 6.404 5.872 2.857
256 HA ARG 42 HA ARG 42 8.323 6.707 3.734
257 HB2 ARG 42 HB2 ARG 42 9.054 6.794 0.799
258 HB3 ARG 42 HB1 ARG 42 10.212 6.941 2.113
259 HG2 ARG 42 HG2 ARG 42 9.939 4.718 2.769
260 HG3 ARG 42 HG1 ARG 42 8.400 4.559 1.923
261 HD2 ARG 42 HD2 ARG 42 11.077 4.904 0.573
262 HD3 ARG 42 HD1 ARG 42 10.272 3.358 0.821
263 HE ARG 42 HE ARG 42 8.399 4.735 -0.507
264 HH11 ARG 42 HH11 ARG 42 11.819 4.313 -1.191
265 HH12 ARG 42 HH12 ARG 42 11.611 4.460 -2.905
266 HH21 ARG 42 HH21 ARG 42 8.152 4.926 -2.753
267 HH22 ARG 42 HH22 ARG 42 9.537 4.807 -3.787
268 H GLY 43 HN GLY 43 6.262 8.717 3.224
269 HA2 GLY 43 HA2 GLY 43 6.394 10.973 4.008
270 HA3 GLY 43 HA1 GLY 43 7.994 11.094 3.295
Start of MODEL 10
1 H1 GLN 1 HT1 GLN 1 -4.527 -0.834 11.081
2 H2 GLN 1 HT2 GLN 1 -2.964 -0.494 10.533
3 H3 GLN 1 HT3 GLN 1 -3.616 -2.041 10.322
4 HA GLN 1 HA GLN 1 -3.636 -0.805 8.256
5 HB2 GLN 1 HB2 GLN 1 -6.302 -1.408 9.537
6 HB3 GLN 1 HB1 GLN 1 -6.151 -0.952 7.847
7 HG2 GLN 1 HG2 GLN 1 -4.748 -2.893 7.430
8 HG3 GLN 1 HG1 GLN 1 -4.845 -3.341 9.132
9 HE21 GLN 1 HE21 GLN 1 -6.768 -4.171 9.949
10 HE22 GLN 1 HE22 GLN 1 -8.018 -4.775 8.921
11 H ASN 2 HN ASN 2 -3.936 1.053 7.163
12 HA ASN 2 HA ASN 2 -5.232 3.298 8.557
13 HB2 ASN 2 HB2 ASN 2 -2.472 3.086 7.609
14 HB3 ASN 2 HB1 ASN 2 -3.301 4.497 6.962
15 HD21 ASN 2 HD21 ASN 2 -3.913 6.138 8.328
16 HD22 ASN 2 HD22 ASN 2 -3.379 6.245 9.968
17 H CYS 3 HN CYS 3 -4.747 1.554 5.625
18 HA CYS 3 HA CYS 3 -6.888 2.837 4.272
19 HB2 CYS 3 HB2 CYS 3 -5.571 4.665 3.745
20 HB3 CYS 3 HB1 CYS 3 -4.089 3.729 3.755
21 H GLY 4 HN GLY 4 -6.781 2.177 1.796
22 HA2 GLY 4 HA2 GLY 4 -5.523 0.335 0.471
23 HA3 GLY 4 HA1 GLY 4 -6.159 -0.688 1.740
24 H ARG 5 HN ARG 5 -8.061 -1.622 1.396
25 HA ARG 5 HA ARG 5 -9.927 -0.419 -0.541
26 HB2 ARG 5 HB2 ARG 5 -9.399 -3.388 -0.336
27 HB3 ARG 5 HB1 ARG 5 -10.418 -2.568 -1.511
28 HG2 ARG 5 HG2 ARG 5 -8.334 -1.415 -2.332
29 HG3 ARG 5 HG1 ARG 5 -7.423 -2.527 -1.311
30 HD2 ARG 5 HD2 ARG 5 -9.386 -3.445 -3.406
31 HD3 ARG 5 HD1 ARG 5 -7.672 -3.200 -3.737
32 HE ARG 5 HE ARG 5 -7.906 -4.882 -1.513
33 HH11 ARG 5 HH11 ARG 5 -8.570 -4.990 -4.959
34 HH12 ARG 5 HH12 ARG 5 -8.348 -6.704 -5.065
35 HH21 ARG 5 HH21 ARG 5 -7.621 -7.125 -1.675
36 HH22 ARG 5 HH22 ARG 5 -7.812 -7.911 -3.206
37 H GLN 6 HN GLN 6 -9.355 -1.935 2.431
38 HA GLN 6 HA GLN 6 -12.118 -2.705 2.930
39 HB2 GLN 6 HB2 GLN 6 -9.595 -2.951 4.551
40 HB3 GLN 6 HB1 GLN 6 -11.175 -3.343 5.214
41 HG2 GLN 6 HG2 GLN 6 -11.484 -5.035 3.477
42 HG3 GLN 6 HG1 GLN 6 -9.898 -4.643 2.818
43 HE21 GLN 6 HE21 GLN 6 -8.050 -5.252 3.946
44 HE22 GLN 6 HE22 GLN 6 -8.091 -6.432 5.208
45 H ALA 7 HN ALA 7 -9.972 -0.099 3.688
46 HA ALA 7 HA ALA 7 -11.673 0.996 5.778
47 HB1 ALA 7 HB1 ALA 7 -9.971 2.732 5.969
48 HB2 ALA 7 HB2 ALA 7 -9.165 2.116 4.526
49 HB3 ALA 7 HB3 ALA 7 -9.233 1.129 5.986
50 H GLY 8 HN GLY 8 -12.246 0.810 2.688
51 HA2 GLY 8 HA2 GLY 8 -13.874 2.009 1.484
52 HA3 GLY 8 HA1 GLY 8 -13.605 3.392 2.535
53 H ASN 9 HN ASN 9 -10.842 1.812 1.249
54 HA ASN 9 HA ASN 9 -9.143 2.446 -0.085
55 HB2 ASN 9 HB2 ASN 9 -11.454 3.327 -1.830
56 HB3 ASN 9 HB1 ASN 9 -9.779 3.340 -2.371
57 HD21 ASN 9 HD21 ASN 9 -12.492 1.368 -1.482
58 HD22 ASN 9 HD22 ASN 9 -11.876 -0.120 -2.106
59 H ARG 10 HN ARG 10 -8.582 3.944 1.625
60 HA ARG 10 HA ARG 10 -8.956 6.785 1.002
61 HB2 ARG 10 HB2 ARG 10 -8.029 5.290 3.456
62 HB3 ARG 10 HB1 ARG 10 -7.809 7.026 3.304
63 HG2 ARG 10 HG2 ARG 10 -10.239 7.296 3.047
64 HG3 ARG 10 HG1 ARG 10 -10.438 5.555 3.250
65 HD2 ARG 10 HD2 ARG 10 -10.884 6.490 5.364
66 HD3 ARG 10 HD1 ARG 10 -9.256 5.823 5.478
67 HE ARG 10 HE ARG 10 -8.969 8.477 4.739
68 HH11 ARG 10 HH11 ARG 10 -10.264 6.741 7.506
69 HH12 ARG 10 HH12 ARG 10 -9.903 8.019 8.620
70 HH21 ARG 10 HH21 ARG 10 -8.908 9.937 7.888
71 HH22 ARG 10 HH22 ARG 10 -8.506 10.133 6.215
72 H ALA 11 HN ALA 11 -6.497 7.605 2.382
73 HA ALA 11 HA ALA 11 -4.328 6.467 0.794
74 HB1 ALA 11 HB1 ALA 11 -5.189 8.295 -0.592
75 HB2 ALA 11 HB2 ALA 11 -3.564 8.642 -0.000
76 HB3 ALA 11 HB3 ALA 11 -4.961 9.418 0.748
77 H CYS 12 HN CYS 12 -2.337 6.563 1.808
78 HA CYS 12 HA CYS 12 -2.380 7.645 4.540
79 HB2 CYS 12 HB2 CYS 12 -0.571 5.602 3.242
80 HB3 CYS 12 HB1 CYS 12 -0.367 6.196 4.886
81 H ALA 13 HN ALA 13 -1.473 9.527 4.900
82 HA ALA 13 HA ALA 13 0.972 10.281 3.463
83 HB1 ALA 13 HB1 ALA 13 -0.900 11.345 2.308
84 HB2 ALA 13 HB2 ALA 13 0.150 12.535 3.080
85 HB3 ALA 13 HB3 ALA 13 -1.394 12.109 3.819
86 H ASN 14 HN ASN 14 0.158 9.416 6.299
87 HA ASN 14 HA ASN 14 0.936 11.757 7.844
88 HB2 ASN 14 HB2 ASN 14 -0.104 9.052 8.664
89 HB3 ASN 14 HB1 ASN 14 0.468 10.243 9.827
90 HD21 ASN 14 HD21 ASN 14 -2.002 9.434 7.525
91 HD22 ASN 14 HD22 ASN 14 -3.145 10.630 8.023
92 H GLN 15 HN GLN 15 1.860 8.355 8.157
93 HA GLN 15 HA GLN 15 4.690 9.067 8.082
94 HB2 GLN 15 HB2 GLN 15 3.338 7.727 10.416
95 HB3 GLN 15 HB1 GLN 15 5.064 7.571 10.124
96 HG2 GLN 15 HG2 GLN 15 5.312 9.996 10.301
97 HG3 GLN 15 HG1 GLN 15 3.580 10.150 10.591
98 HE21 GLN 15 HE21 GLN 15 2.726 9.479 12.560
99 HE22 GLN 15 HE22 GLN 15 3.719 9.201 13.946
100 H LEU 16 HN LEU 16 2.244 6.581 8.167
101 HA LEU 16 HA LEU 16 4.084 4.594 7.081
102 HB2 LEU 16 HB2 LEU 16 2.281 2.964 7.477
103 HB3 LEU 16 HB1 LEU 16 2.664 3.854 8.929
104 HG LEU 16 HG LEU 16 0.280 4.513 7.196
105 HD11 LEU 16 HD11 LEU 16 -0.245 2.358 7.823
106 HD12 LEU 16 HD12 LEU 16 -0.911 3.294 9.162
107 HD13 LEU 16 HD13 LEU 16 0.636 2.475 9.345
108 HD21 LEU 16 HD21 LEU 16 1.166 5.298 9.961
109 HD22 LEU 16 HD22 LEU 16 -0.531 5.363 9.489
110 HD23 LEU 16 HD23 LEU 16 0.660 6.333 8.624
111 H CYS 17 HN CYS 17 2.783 3.059 5.346
112 HA CYS 17 HA CYS 17 1.644 4.865 3.341
113 HB2 CYS 17 HB2 CYS 17 4.020 4.626 2.849
114 HB3 CYS 17 HB1 CYS 17 3.843 2.881 2.800
115 H CYS 18 HN CYS 18 0.204 4.178 2.024
116 HA CYS 18 HA CYS 18 -1.139 1.656 2.543
117 HB2 CYS 18 HB2 CYS 18 -2.317 3.833 2.533
118 HB3 CYS 18 HB1 CYS 18 -1.924 4.001 0.831
119 H SER 19 HN SER 19 -2.034 0.394 0.923
120 HA SER 19 HA SER 19 -1.096 0.599 -1.819
121 HB2 SER 19 HB2 SER 19 -0.724 -1.943 -1.821
122 HB3 SER 19 HB1 SER 19 0.524 -0.965 -1.048
123 HG SER 19 HG SER 19 0.104 -1.936 0.755
124 H GLN 20 HN GLN 20 -2.431 -0.515 -3.346
125 HA GLN 20 HA GLN 20 -5.199 -0.533 -2.621
126 HB2 GLN 20 HB2 GLN 20 -3.742 -1.221 -5.173
127 HB3 GLN 20 HB1 GLN 20 -5.487 -1.367 -5.022
128 HG2 GLN 20 HG2 GLN 20 -5.643 1.017 -4.508
129 HG3 GLN 20 HG1 GLN 20 -3.893 1.162 -4.659
130 HE21 GLN 20 HE21 GLN 20 -2.945 1.032 -6.695
131 HE22 GLN 20 HE22 GLN 20 -3.862 1.209 -8.148
132 H TYR 21 HN TYR 21 -5.203 -2.099 -0.967
133 HA TYR 21 HA TYR 21 -5.904 -4.736 -1.815
134 HB2 TYR 21 HB2 TYR 21 -3.640 -5.344 -1.794
135 HB3 TYR 21 HB1 TYR 21 -3.258 -4.252 -0.473
136 HD1 TYR 21 HD1 TYR 21 -4.773 -7.517 -1.304
137 HD2 TYR 21 HD2 TYR 21 -3.311 -4.994 1.784
138 HE1 TYR 21 HE1 TYR 21 -4.851 -9.410 0.262
139 HE2 TYR 21 HE2 TYR 21 -3.383 -6.880 3.365
140 HH TYR 21 HH TYR 21 -4.550 -9.025 3.620
141 H GLY 22 HN GLY 22 -4.828 -2.865 0.960
142 HA2 GLY 22 HA2 GLY 22 -6.894 -2.313 2.458
143 HA3 GLY 22 HA1 GLY 22 -6.915 -4.055 2.643
144 H PHE 23 HN PHE 23 -3.806 -2.646 2.260
145 HA PHE 23 HA PHE 23 -3.389 -2.667 5.155
146 HB2 PHE 23 HB2 PHE 23 -2.561 -4.753 3.751
147 HB3 PHE 23 HB1 PHE 23 -1.194 -3.700 3.428
148 HD1 PHE 23 HD1 PHE 23 -1.603 -6.414 5.047
149 HD2 PHE 23 HD2 PHE 23 -0.995 -2.338 6.133
150 HE1 PHE 23 HE1 PHE 23 -0.617 -7.129 7.183
151 HE2 PHE 23 HE2 PHE 23 -0.009 -3.052 8.269
152 HZ PHE 23 HZ PHE 23 0.183 -5.449 8.795
153 H CYS 24 HN CYS 24 -2.388 -0.982 5.928
154 HA CYS 24 HA CYS 24 -0.463 0.515 4.303
155 HB2 CYS 24 HB2 CYS 24 -2.508 1.836 4.329
156 HB3 CYS 24 HB1 CYS 24 -2.645 1.652 6.069
157 H GLY 25 HN GLY 25 1.470 0.550 5.283
158 HA2 GLY 25 HA2 GLY 25 1.731 0.879 8.135
159 HA3 GLY 25 HA1 GLY 25 2.168 -0.726 7.582
160 H SER 26 HN SER 26 4.321 -0.710 7.931
161 HA SER 26 HA SER 26 5.914 1.329 6.514
162 HB2 SER 26 HB2 SER 26 6.449 0.002 9.171
163 HB3 SER 26 HB1 SER 26 7.650 0.953 8.295
164 HG SER 26 HG SER 26 5.713 2.556 8.324
165 H THR 27 HN THR 27 5.335 -2.003 7.047
166 HA THR 27 HA THR 27 7.819 -3.122 6.352
167 HB THR 27 HB THR 27 5.219 -4.501 5.783
168 HG1 THR 27 HG1 THR 27 4.686 -4.149 7.798
169 HG21 THR 27 HG21 THR 27 7.843 -5.476 6.928
170 HG22 THR 27 HG22 THR 27 7.284 -5.726 5.274
171 HG23 THR 27 HG23 THR 27 6.423 -6.476 6.618
172 H SER 28 HN SER 28 8.351 -4.353 4.421
173 HA SER 28 HA SER 28 7.747 -2.834 2.022
174 HB2 SER 28 HB2 SER 28 9.593 -4.224 1.019
175 HB3 SER 28 HB1 SER 28 10.087 -3.300 2.437
176 HG SER 28 HG SER 28 10.411 -5.834 2.096
177 H GLU 29 HN GLU 29 5.509 -3.754 2.337
178 HA GLU 29 HA GLU 29 5.109 -5.929 0.464
179 HB2 GLU 29 HB2 GLU 29 4.999 -6.911 2.761
180 HB3 GLU 29 HB1 GLU 29 3.739 -5.757 3.168
181 HG2 GLU 29 HG2 GLU 29 2.500 -7.603 2.695
182 HG3 GLU 29 HG1 GLU 29 2.525 -6.808 1.122
183 H TYR 30 HN TYR 30 3.838 -3.374 2.469
184 HA TYR 30 HA TYR 30 1.570 -2.812 0.797
185 HB2 TYR 30 HB2 TYR 30 2.307 -0.734 2.717
186 HB3 TYR 30 HB1 TYR 30 0.789 -1.600 2.542
187 HD1 TYR 30 HD1 TYR 30 1.092 -4.244 3.307
188 HD2 TYR 30 HD2 TYR 30 3.319 -0.929 4.790
189 HE1 TYR 30 HE1 TYR 30 1.574 -5.497 5.361
190 HE2 TYR 30 HE2 TYR 30 3.796 -2.182 6.849
191 HH TYR 30 HH TYR 30 3.245 -5.513 7.156
192 H CYS 31 HN CYS 31 4.664 -1.360 1.551
193 HA CYS 31 HA CYS 31 4.769 -0.065 -1.028
194 HB2 CYS 31 HB2 CYS 31 4.974 1.563 1.510
195 HB3 CYS 31 HB1 CYS 31 5.352 2.154 -0.102
196 H SER 32 HN SER 32 6.564 -0.947 -1.716
197 HA SER 32 HA SER 32 8.956 -0.812 0.007
198 HB2 SER 32 HB2 SER 32 8.137 -3.131 -0.598
199 HB3 SER 32 HB1 SER 32 8.532 -2.751 -2.272
200 HG SER 32 HG SER 32 10.587 -2.973 -1.844
201 H ARG 33 HN ARG 33 10.890 -0.115 -0.895
202 HA ARG 33 HA ARG 33 10.626 1.738 -3.087
203 HB2 ARG 33 HB2 ARG 33 12.953 0.981 -1.315
204 HB3 ARG 33 HB1 ARG 33 13.082 2.164 -2.606
205 HG2 ARG 33 HG2 ARG 33 11.001 2.494 -0.483
206 HG3 ARG 33 HG1 ARG 33 12.675 2.949 -0.163
207 HD2 ARG 33 HD2 ARG 33 11.124 3.961 -2.541
208 HD3 ARG 33 HD1 ARG 33 11.150 4.795 -0.988
209 HE ARG 33 HE ARG 33 13.793 4.343 -1.763
210 HH11 ARG 33 HH11 ARG 33 11.057 6.255 -2.852
211 HH12 ARG 33 HH12 ARG 33 12.051 7.487 -3.555
212 HH21 ARG 33 HH21 ARG 33 15.075 5.967 -2.690
213 HH22 ARG 33 HH22 ARG 33 14.324 7.323 -3.463
214 H ALA 34 HN ALA 34 11.098 -1.513 -3.022
215 HA ALA 34 HA ALA 34 12.811 -1.547 -5.412
216 HB1 ALA 34 HB1 ALA 34 13.654 -2.860 -3.525
217 HB2 ALA 34 HB2 ALA 34 13.265 -3.881 -4.909
218 HB3 ALA 34 HB3 ALA 34 12.169 -3.810 -3.529
219 H ASN 35 HN ASN 35 9.638 -2.191 -4.234
220 HA ASN 35 HA ASN 35 8.905 -3.554 -6.728
221 HB2 ASN 35 HB2 ASN 35 7.465 -3.476 -4.075
222 HB3 ASN 35 HB1 ASN 35 6.811 -4.217 -5.529
223 HD21 ASN 35 HD21 ASN 35 7.709 -6.123 -6.302
224 HD22 ASN 35 HD22 ASN 35 8.738 -7.113 -5.330
225 H GLY 36 HN GLY 36 7.991 -0.899 -4.608
226 HA2 GLY 36 HA2 GLY 36 7.426 1.167 -5.963
227 HA3 GLY 36 HA1 GLY 36 6.230 0.138 -6.734
228 H CYS 37 HN CYS 37 6.476 2.550 -4.673
229 HA CYS 37 HA CYS 37 4.668 1.647 -2.583
230 HB2 CYS 37 HB2 CYS 37 5.912 4.333 -3.183
231 HB3 CYS 37 HB1 CYS 37 4.878 4.011 -1.798
232 H GLN 38 HN GLN 38 2.598 2.753 -2.143
233 HA GLN 38 HA GLN 38 1.357 3.709 -4.643
234 HB2 GLN 38 HB2 GLN 38 -0.083 2.547 -2.254
235 HB3 GLN 38 HB1 GLN 38 -0.726 2.817 -3.871
236 HG2 GLN 38 HG2 GLN 38 1.581 1.134 -4.023
237 HG3 GLN 38 HG1 GLN 38 0.452 0.468 -2.856
238 HE21 GLN 38 HE21 GLN 38 0.990 1.308 -6.178
239 HE22 GLN 38 HE22 GLN 38 -0.366 0.462 -6.833
240 H SER 39 HN SER 39 0.997 4.036 -1.097
241 HA SER 39 HA SER 39 0.175 6.795 -1.391
242 HB2 SER 39 HB2 SER 39 0.141 4.717 0.677
243 HB3 SER 39 HB1 SER 39 0.383 6.352 1.285
244 HG SER 39 HG SER 39 -1.575 6.925 0.582
245 H ASN 40 HN ASN 40 1.263 7.964 0.888
246 HA ASN 40 HA ASN 40 3.823 8.760 -0.093
247 HB2 ASN 40 HB2 ASN 40 1.929 10.054 1.262
248 HB3 ASN 40 HB1 ASN 40 2.930 9.559 2.625
249 HD21 ASN 40 HD21 ASN 40 5.005 10.381 2.833
250 HD22 ASN 40 HD22 ASN 40 5.538 11.770 1.953
251 H CYS 41 HN CYS 41 5.103 6.886 0.007
252 HA CYS 41 HA CYS 41 5.805 5.874 2.666
253 HB2 CYS 41 HB2 CYS 41 6.735 3.986 1.628
254 HB3 CYS 41 HB1 CYS 41 5.397 4.379 0.560
255 H ARG 42 HN ARG 42 7.695 6.205 3.676
256 HA ARG 42 HA ARG 42 9.688 7.096 4.275
257 HB2 ARG 42 HB2 ARG 42 10.121 6.749 1.331
258 HB3 ARG 42 HB1 ARG 42 11.311 7.637 2.267
259 HG2 ARG 42 HG2 ARG 42 12.185 5.514 2.313
260 HG3 ARG 42 HG1 ARG 42 11.270 5.540 3.816
261 HD2 ARG 42 HD2 ARG 42 10.100 4.488 1.251
262 HD3 ARG 42 HD1 ARG 42 11.051 3.472 2.331
263 HE ARG 42 HE ARG 42 8.943 4.814 3.708
264 HH11 ARG 42 HH11 ARG 42 9.599 2.034 1.665
265 HH12 ARG 42 HH12 ARG 42 8.244 1.134 2.259
266 HH21 ARG 42 HH21 ARG 42 7.176 3.618 4.471
267 HH22 ARG 42 HH22 ARG 42 6.874 2.031 3.846
268 H GLY 43 HN GLY 43 7.337 8.854 3.118
269 HA2 GLY 43 HA2 GLY 43 8.849 11.373 2.879
270 HA3 GLY 43 HA1 GLY 43 7.204 11.121 2.316
Start of MODEL 11
1 H1 GLN 1 HT1 GLN 1 -5.096 -0.329 10.959
2 H2 GLN 1 HT2 GLN 1 -3.499 0.216 10.838
3 H3 GLN 1 HT3 GLN 1 -3.866 -1.403 10.515
4 HA GLN 1 HA GLN 1 -3.488 -0.181 8.476
5 HB2 GLN 1 HB2 GLN 1 -6.320 -1.099 8.997
6 HB3 GLN 1 HB1 GLN 1 -5.730 -0.677 7.397
7 HG2 GLN 1 HG2 GLN 1 -5.495 -2.964 7.408
8 HG3 GLN 1 HG1 GLN 1 -3.885 -2.433 7.890
9 HE21 GLN 1 HE21 GLN 1 -3.194 -2.771 9.993
10 HE22 GLN 1 HE22 GLN 1 -4.011 -3.838 11.078
11 H ASN 2 HN ASN 2 -3.810 1.592 7.206
12 HA ASN 2 HA ASN 2 -5.547 3.707 8.291
13 HB2 ASN 2 HB2 ASN 2 -2.799 3.930 7.063
14 HB3 ASN 2 HB1 ASN 2 -3.871 5.314 7.206
15 HD21 ASN 2 HD21 ASN 2 -4.342 6.148 9.240
16 HD22 ASN 2 HD22 ASN 2 -3.400 5.756 10.634
17 H CYS 3 HN CYS 3 -4.348 2.101 5.438
18 HA CYS 3 HA CYS 3 -6.578 2.996 3.854
19 HB2 CYS 3 HB2 CYS 3 -5.480 4.928 3.319
20 HB3 CYS 3 HB1 CYS 3 -3.901 4.245 3.660
21 H GLY 4 HN GLY 4 -6.421 2.190 1.560
22 HA2 GLY 4 HA2 GLY 4 -4.776 0.534 0.315
23 HA3 GLY 4 HA1 GLY 4 -5.403 -0.542 1.545
24 H ARG 5 HN ARG 5 -7.277 -1.577 1.154
25 HA ARG 5 HA ARG 5 -9.065 -0.577 -0.957
26 HB2 ARG 5 HB2 ARG 5 -8.280 -3.480 -0.637
27 HB3 ARG 5 HB1 ARG 5 -9.371 -2.822 -1.846
28 HG2 ARG 5 HG2 ARG 5 -7.430 -1.490 -2.715
29 HG3 ARG 5 HG1 ARG 5 -6.403 -2.428 -1.630
30 HD2 ARG 5 HD2 ARG 5 -6.267 -3.541 -3.694
31 HD3 ARG 5 HD1 ARG 5 -7.396 -4.496 -2.738
32 HE ARG 5 HE ARG 5 -8.786 -2.578 -4.290
33 HH11 ARG 5 HH11 ARG 5 -7.120 -5.651 -4.625
34 HH12 ARG 5 HH12 ARG 5 -8.035 -6.126 -6.016
35 HH21 ARG 5 HH21 ARG 5 -9.973 -3.221 -6.111
36 HH22 ARG 5 HH22 ARG 5 -9.648 -4.751 -6.856
37 H GLN 6 HN GLN 6 -8.558 -2.197 2.009
38 HA GLN 6 HA GLN 6 -11.308 -3.055 2.364
39 HB2 GLN 6 HB2 GLN 6 -8.853 -3.263 4.088
40 HB3 GLN 6 HB1 GLN 6 -10.443 -3.735 4.669
41 HG2 GLN 6 HG2 GLN 6 -10.614 -5.377 2.868
42 HG3 GLN 6 HG1 GLN 6 -9.019 -4.904 2.288
43 HE21 GLN 6 HE21 GLN 6 -7.197 -5.481 3.472
44 HE22 GLN 6 HE22 GLN 6 -7.242 -6.702 4.692
45 H ALA 7 HN ALA 7 -9.310 -0.393 3.312
46 HA ALA 7 HA ALA 7 -11.155 0.549 5.353
47 HB1 ALA 7 HB1 ALA 7 -9.548 2.349 5.692
48 HB2 ALA 7 HB2 ALA 7 -8.643 1.825 4.272
49 HB3 ALA 7 HB3 ALA 7 -8.740 0.781 5.691
50 H GLY 8 HN GLY 8 -11.535 0.458 2.220
51 HA2 GLY 8 HA2 GLY 8 -13.227 1.617 1.039
52 HA3 GLY 8 HA1 GLY 8 -12.990 2.998 2.097
53 H ASN 9 HN ASN 9 -10.177 1.485 0.808
54 HA ASN 9 HA ASN 9 -8.490 2.192 -0.520
55 HB2 ASN 9 HB2 ASN 9 -10.414 1.609 -2.181
56 HB3 ASN 9 HB1 ASN 9 -10.516 3.348 -2.432
57 HD21 ASN 9 HD21 ASN 9 -8.609 0.488 -2.888
58 HD22 ASN 9 HD22 ASN 9 -7.475 1.171 -3.999
59 H ARG 10 HN ARG 10 -8.654 3.839 1.475
60 HA ARG 10 HA ARG 10 -8.932 6.611 0.663
61 HB2 ARG 10 HB2 ARG 10 -8.308 5.228 3.272
62 HB3 ARG 10 HB1 ARG 10 -8.185 6.972 3.106
63 HG2 ARG 10 HG2 ARG 10 -10.550 7.079 2.484
64 HG3 ARG 10 HG1 ARG 10 -10.669 5.327 2.660
65 HD2 ARG 10 HD2 ARG 10 -10.061 5.525 5.021
66 HD3 ARG 10 HD1 ARG 10 -9.936 7.274 4.844
67 HE ARG 10 HE ARG 10 -12.490 6.460 4.014
68 HH11 ARG 10 HH11 ARG 10 -10.633 6.721 6.984
69 HH12 ARG 10 HH12 ARG 10 -12.035 6.942 7.976
70 HH21 ARG 10 HH21 ARG 10 -14.115 6.957 7.041
71 HH22 ARG 10 HH22 ARG 10 -14.311 6.750 5.333
72 H ALA 11 HN ALA 11 -6.814 7.629 2.399
73 HA ALA 11 HA ALA 11 -4.330 6.715 1.140
74 HB1 ALA 11 HB1 ALA 11 -3.647 8.996 0.617
75 HB2 ALA 11 HB2 ALA 11 -5.205 9.601 1.183
76 HB3 ALA 11 HB3 ALA 11 -5.125 8.567 -0.245
77 H CYS 12 HN CYS 12 -2.505 6.951 2.442
78 HA CYS 12 HA CYS 12 -3.050 7.521 5.235
79 HB2 CYS 12 HB2 CYS 12 -0.538 6.485 3.914
80 HB3 CYS 12 HB1 CYS 12 -0.795 6.610 5.652
81 H ALA 13 HN ALA 13 -0.026 8.292 3.616
82 HA ALA 13 HA ALA 13 1.334 10.110 3.623
83 HB1 ALA 13 HB1 ALA 13 -1.232 11.648 3.301
84 HB2 ALA 13 HB2 ALA 13 -0.356 10.835 2.003
85 HB3 ALA 13 HB3 ALA 13 0.387 12.189 2.853
86 H ASN 14 HN ASN 14 0.266 9.280 6.303
87 HA ASN 14 HA ASN 14 0.404 11.820 7.750
88 HB2 ASN 14 HB2 ASN 14 -0.479 9.067 8.598
89 HB3 ASN 14 HB1 ASN 14 -0.223 10.371 9.752
90 HD21 ASN 14 HD21 ASN 14 -1.595 12.170 9.707
91 HD22 ASN 14 HD22 ASN 14 -3.146 12.105 8.949
92 H GLN 15 HN GLN 15 1.723 8.562 8.074
93 HA GLN 15 HA GLN 15 4.392 9.584 8.589
94 HB2 GLN 15 HB2 GLN 15 2.807 8.055 10.645
95 HB3 GLN 15 HB1 GLN 15 4.565 8.012 10.628
96 HG2 GLN 15 HG2 GLN 15 4.628 10.438 10.901
97 HG3 GLN 15 HG1 GLN 15 2.865 10.482 10.913
98 HE21 GLN 15 HE21 GLN 15 5.728 9.597 12.670
99 HE22 GLN 15 HE22 GLN 15 4.964 9.369 14.204
100 H LEU 16 HN LEU 16 2.201 6.991 7.966
101 HA LEU 16 HA LEU 16 4.412 5.275 7.057
102 HB2 LEU 16 HB2 LEU 16 2.642 3.405 7.240
103 HB3 LEU 16 HB1 LEU 16 3.354 4.007 8.720
104 HG LEU 16 HG LEU 16 0.699 5.044 7.745
105 HD11 LEU 16 HD11 LEU 16 0.550 2.591 7.845
106 HD12 LEU 16 HD12 LEU 16 -0.431 3.375 9.081
107 HD13 LEU 16 HD13 LEU 16 1.112 2.641 9.517
108 HD21 LEU 16 HD21 LEU 16 1.765 6.288 9.554
109 HD22 LEU 16 HD22 LEU 16 1.928 4.806 10.496
110 HD23 LEU 16 HD23 LEU 16 0.327 5.455 10.141
111 H CYS 17 HN CYS 17 2.827 3.473 5.513
112 HA CYS 17 HA CYS 17 1.511 5.079 3.497
113 HB2 CYS 17 HB2 CYS 17 3.070 3.806 1.752
114 HB3 CYS 17 HB1 CYS 17 3.545 5.355 2.439
115 H CYS 18 HN CYS 18 0.156 4.062 2.175
116 HA CYS 18 HA CYS 18 -0.350 1.215 2.752
117 HB2 CYS 18 HB2 CYS 18 -2.659 1.668 2.026
118 HB3 CYS 18 HB1 CYS 18 -2.178 2.749 3.330
119 H SER 19 HN SER 19 -1.131 -0.165 1.142
120 HA SER 19 HA SER 19 -0.317 0.531 -1.611
121 HB2 SER 19 HB2 SER 19 0.136 -1.947 -1.893
122 HB3 SER 19 HB1 SER 19 1.216 -1.152 -0.748
123 HG SER 19 HG SER 19 0.474 -3.051 0.169
124 H GLN 20 HN GLN 20 -1.474 -1.118 -3.217
125 HA GLN 20 HA GLN 20 -4.307 -0.755 -2.840
126 HB2 GLN 20 HB2 GLN 20 -2.806 -0.687 -5.039
127 HB3 GLN 20 HB1 GLN 20 -3.221 -2.394 -5.092
128 HG2 GLN 20 HG2 GLN 20 -5.592 -1.825 -5.088
129 HG3 GLN 20 HG1 GLN 20 -5.185 -0.112 -5.010
130 HE21 GLN 20 HE21 GLN 20 -4.328 0.903 -6.824
131 HE22 GLN 20 HE22 GLN 20 -4.427 0.204 -8.401
132 H TYR 21 HN TYR 21 -4.273 -2.086 -0.849
133 HA TYR 21 HA TYR 21 -5.106 -4.804 -1.406
134 HB2 TYR 21 HB2 TYR 21 -2.826 -5.312 -1.006
135 HB3 TYR 21 HB1 TYR 21 -2.702 -4.127 0.284
136 HD1 TYR 21 HD1 TYR 21 -3.962 -7.479 -0.591
137 HD2 TYR 21 HD2 TYR 21 -3.221 -4.709 2.546
138 HE1 TYR 21 HE1 TYR 21 -4.320 -9.268 1.056
139 HE2 TYR 21 HE2 TYR 21 -3.576 -6.492 4.207
140 HH TYR 21 HH TYR 21 -3.701 -9.777 3.383
141 H GLY 22 HN GLY 22 -4.293 -2.679 1.288
142 HA2 GLY 22 HA2 GLY 22 -6.489 -1.822 2.418
143 HA3 GLY 22 HA1 GLY 22 -6.700 -3.533 2.731
144 H PHE 23 HN PHE 23 -3.471 -2.288 2.713
145 HA PHE 23 HA PHE 23 -3.448 -2.115 5.632
146 HB2 PHE 23 HB2 PHE 23 -2.681 -4.405 4.620
147 HB3 PHE 23 HB1 PHE 23 -1.202 -3.535 4.261
148 HD1 PHE 23 HD1 PHE 23 -0.382 -2.076 6.476
149 HD2 PHE 23 HD2 PHE 23 -2.621 -5.701 6.484
150 HE1 PHE 23 HE1 PHE 23 0.401 -2.556 8.756
151 HE2 PHE 23 HE2 PHE 23 -1.842 -6.179 8.764
152 HZ PHE 23 HZ PHE 23 -0.328 -4.608 9.904
153 H CYS 24 HN CYS 24 -2.423 -0.391 6.358
154 HA CYS 24 HA CYS 24 -0.423 0.970 4.699
155 HB2 CYS 24 HB2 CYS 24 -2.528 2.165 5.563
156 HB3 CYS 24 HB1 CYS 24 -1.774 2.070 7.150
157 H GLY 25 HN GLY 25 1.582 1.610 5.639
158 HA2 GLY 25 HA2 GLY 25 2.473 1.388 8.210
159 HA3 GLY 25 HA1 GLY 25 2.599 -0.246 7.598
160 H SER 26 HN SER 26 4.724 -0.600 7.281
161 HA SER 26 HA SER 26 6.172 1.221 5.492
162 HB2 SER 26 HB2 SER 26 7.198 0.238 8.154
163 HB3 SER 26 HB1 SER 26 8.196 1.029 6.935
164 HG SER 26 HG SER 26 7.399 2.487 8.536
165 H THR 27 HN THR 27 5.549 -1.962 6.599
166 HA THR 27 HA THR 27 7.811 -3.367 5.707
167 HB THR 27 HB THR 27 5.009 -4.482 5.677
168 HG1 THR 27 HG1 THR 27 4.916 -4.175 7.757
169 HG21 THR 27 HG21 THR 27 7.665 -5.744 6.383
170 HG22 THR 27 HG22 THR 27 6.764 -6.008 4.890
171 HG23 THR 27 HG23 THR 27 6.097 -6.551 6.429
172 H SER 28 HN SER 28 7.859 -4.926 3.862
173 HA SER 28 HA SER 28 7.351 -3.540 1.388
174 HB2 SER 28 HB2 SER 28 9.458 -4.773 1.913
175 HB3 SER 28 HB1 SER 28 8.546 -6.278 1.812
176 HG SER 28 HG SER 28 8.874 -4.375 -0.272
177 H GLU 29 HN GLU 29 4.948 -3.911 2.277
178 HA GLU 29 HA GLU 29 3.722 -5.742 0.387
179 HB2 GLU 29 HB2 GLU 29 3.218 -5.897 3.370
180 HB3 GLU 29 HB1 GLU 29 2.069 -6.505 2.189
181 HG2 GLU 29 HG2 GLU 29 4.914 -7.452 2.235
182 HG3 GLU 29 HG1 GLU 29 3.686 -8.163 3.279
183 H TYR 30 HN TYR 30 3.393 -3.372 2.918
184 HA TYR 30 HA TYR 30 0.999 -2.201 1.768
185 HB2 TYR 30 HB2 TYR 30 2.221 -0.681 3.923
186 HB3 TYR 30 HB1 TYR 30 0.599 -1.340 3.809
187 HD1 TYR 30 HD1 TYR 30 0.886 -4.215 3.934
188 HD2 TYR 30 HD2 TYR 30 3.200 -1.241 5.908
189 HE1 TYR 30 HE1 TYR 30 1.410 -5.817 5.722
190 HE2 TYR 30 HE2 TYR 30 3.726 -2.833 7.699
191 HH TYR 30 HH TYR 30 2.801 -4.889 8.673
192 H CYS 31 HN CYS 31 4.401 -1.642 2.086
193 HA CYS 31 HA CYS 31 4.168 0.687 0.326
194 HB2 CYS 31 HB2 CYS 31 6.347 0.369 2.393
195 HB3 CYS 31 HB1 CYS 31 5.981 1.795 1.427
196 H SER 32 HN SER 32 4.413 -0.654 -1.466
197 HA SER 32 HA SER 32 6.633 -2.463 -1.708
198 HB2 SER 32 HB2 SER 32 4.476 -1.517 -3.561
199 HB3 SER 32 HB1 SER 32 5.821 -2.486 -4.161
200 HG SER 32 HG SER 32 5.140 -4.180 -3.004
201 H ARG 33 HN ARG 33 8.530 -2.240 -2.669
202 HA ARG 33 HA ARG 33 9.262 0.402 -3.717
203 HB2 ARG 33 HB2 ARG 33 10.467 -0.776 -1.687
204 HB3 ARG 33 HB1 ARG 33 11.241 -1.741 -2.925
205 HG2 ARG 33 HG2 ARG 33 11.421 1.271 -2.891
206 HG3 ARG 33 HG1 ARG 33 12.544 0.241 -2.007
207 HD2 ARG 33 HD2 ARG 33 13.174 -0.863 -4.105
208 HD3 ARG 33 HD1 ARG 33 12.062 0.182 -4.989
209 HE ARG 33 HE ARG 33 13.737 1.877 -3.613
210 HH11 ARG 33 HH11 ARG 33 14.172 -0.617 -6.049
211 HH12 ARG 33 HH12 ARG 33 15.584 0.126 -6.721
212 HH21 ARG 33 HH21 ARG 33 15.589 2.830 -4.510
213 HH22 ARG 33 HH22 ARG 33 16.386 2.075 -5.850
214 H ALA 34 HN ALA 34 9.103 -2.986 -4.414
215 HA ALA 34 HA ALA 34 10.244 -2.571 -7.091
216 HB1 ALA 34 HB1 ALA 34 10.610 -4.974 -7.177
217 HB2 ALA 34 HB2 ALA 34 9.847 -5.158 -5.598
218 HB3 ALA 34 HB3 ALA 34 11.369 -4.279 -5.746
219 H ASN 35 HN ASN 35 7.412 -3.558 -5.347
220 HA ASN 35 HA ASN 35 6.020 -4.388 -7.774
221 HB2 ASN 35 HB2 ASN 35 5.301 -4.532 -4.848
222 HB3 ASN 35 HB1 ASN 35 4.123 -4.865 -6.113
223 HD21 ASN 35 HD21 ASN 35 4.370 -6.693 -7.397
224 HD22 ASN 35 HD22 ASN 35 5.406 -7.998 -6.942
225 H GLY 36 HN GLY 36 6.408 -1.600 -5.846
226 HA2 GLY 36 HA2 GLY 36 5.682 0.548 -6.495
227 HA3 GLY 36 HA1 GLY 36 4.402 -0.191 -7.440
228 H CYS 37 HN CYS 37 5.130 1.498 -4.649
229 HA CYS 37 HA CYS 37 2.880 0.518 -3.089
230 HB2 CYS 37 HB2 CYS 37 3.659 2.445 -1.519
231 HB3 CYS 37 HB1 CYS 37 4.687 1.030 -1.695
232 H GLN 38 HN GLN 38 1.427 2.363 -2.053
233 HA GLN 38 HA GLN 38 0.447 3.917 -4.353
234 HB2 GLN 38 HB2 GLN 38 -1.094 2.952 -1.940
235 HB3 GLN 38 HB1 GLN 38 -1.768 3.792 -3.330
236 HG2 GLN 38 HG2 GLN 38 -0.260 1.269 -3.794
237 HG3 GLN 38 HG1 GLN 38 -1.886 1.167 -3.117
238 HE21 GLN 38 HE21 GLN 38 -3.645 1.835 -4.365
239 HE22 GLN 38 HE22 GLN 38 -3.530 2.034 -6.077
240 H SER 39 HN SER 39 0.306 4.230 -0.768
241 HA SER 39 HA SER 39 -0.032 7.073 -0.925
242 HB2 SER 39 HB2 SER 39 -0.928 5.430 0.860
243 HB3 SER 39 HB1 SER 39 0.678 5.565 1.569
244 HG SER 39 HG SER 39 0.315 7.626 2.068
245 H ASN 40 HN ASN 40 1.420 8.085 1.140
246 HA ASN 40 HA ASN 40 3.912 8.720 -0.014
247 HB2 ASN 40 HB2 ASN 40 2.390 10.014 1.658
248 HB3 ASN 40 HB1 ASN 40 3.285 9.131 2.891
249 HD21 ASN 40 HD21 ASN 40 5.475 9.564 3.188
250 HD22 ASN 40 HD22 ASN 40 6.224 10.990 2.564
251 H CYS 41 HN CYS 41 4.956 6.763 -0.358
252 HA CYS 41 HA CYS 41 5.885 5.292 1.995
253 HB2 CYS 41 HB2 CYS 41 6.606 3.621 0.118
254 HB3 CYS 41 HB1 CYS 41 4.902 3.744 0.544
255 H ARG 42 HN ARG 42 7.149 6.194 -1.172
256 HA ARG 42 HA ARG 42 9.865 6.325 -0.126
257 HB2 ARG 42 HB2 ARG 42 8.768 6.437 -2.933
258 HB3 ARG 42 HB1 ARG 42 10.470 6.665 -2.559
259 HG2 ARG 42 HG2 ARG 42 10.655 4.432 -1.721
260 HG3 ARG 42 HG1 ARG 42 8.912 4.192 -1.836
261 HD2 ARG 42 HD2 ARG 42 10.647 4.797 -4.220
262 HD3 ARG 42 HD1 ARG 42 10.307 3.157 -3.675
263 HE ARG 42 HE ARG 42 7.889 4.568 -4.008
264 HH11 ARG 42 HH11 ARG 42 10.436 3.117 -5.941
265 HH12 ARG 42 HH12 ARG 42 9.397 2.822 -7.296
266 HH21 ARG 42 HH21 ARG 42 6.548 4.172 -5.792
267 HH22 ARG 42 HH22 ARG 42 7.198 3.420 -7.210
268 H GLY 43 HN GLY 43 7.384 8.406 -1.401
269 HA2 GLY 43 HA2 GLY 43 8.581 10.749 -0.290
270 HA3 GLY 43 HA1 GLY 43 8.753 10.715 -2.038
Start of MODEL 12
1 H1 GLN 1 HT1 GLN 1 -4.374 -1.913 10.571
2 H2 GLN 1 HT2 GLN 1 -5.524 -0.742 10.981
3 H3 GLN 1 HT3 GLN 1 -3.874 -0.378 11.079
4 HA GLN 1 HA GLN 1 -3.621 -0.566 8.723
5 HB2 GLN 1 HB2 GLN 1 -5.700 -0.793 7.296
6 HB3 GLN 1 HB1 GLN 1 -5.249 -2.250 8.163
7 HG2 GLN 1 HG2 GLN 1 -7.301 -0.393 9.306
8 HG3 GLN 1 HG1 GLN 1 -7.737 -1.539 8.040
9 HE21 GLN 1 HE21 GLN 1 -7.684 -3.745 8.482
10 HE22 GLN 1 HE22 GLN 1 -7.644 -4.357 10.096
11 H ASN 2 HN ASN 2 -3.944 1.225 7.327
12 HA ASN 2 HA ASN 2 -5.309 3.507 8.590
13 HB2 ASN 2 HB2 ASN 2 -2.556 3.270 7.511
14 HB3 ASN 2 HB1 ASN 2 -3.415 4.746 7.086
15 HD21 ASN 2 HD21 ASN 2 -3.909 6.227 8.667
16 HD22 ASN 2 HD22 ASN 2 -3.254 6.151 10.264
17 H CYS 3 HN CYS 3 -4.792 1.683 5.702
18 HA CYS 3 HA CYS 3 -6.938 2.915 4.308
19 HB2 CYS 3 HB2 CYS 3 -5.603 4.755 3.809
20 HB3 CYS 3 HB1 CYS 3 -4.138 3.797 3.739
21 H GLY 4 HN GLY 4 -6.786 2.248 1.841
22 HA2 GLY 4 HA2 GLY 4 -5.479 0.397 0.559
23 HA3 GLY 4 HA1 GLY 4 -6.187 -0.614 1.800
24 H ARG 5 HN ARG 5 -8.013 -1.585 1.272
25 HA ARG 5 HA ARG 5 -9.823 -0.290 -0.659
26 HB2 ARG 5 HB2 ARG 5 -9.230 -3.253 -0.553
27 HB3 ARG 5 HB1 ARG 5 -10.306 -2.443 -1.684
28 HG2 ARG 5 HG2 ARG 5 -8.296 -1.158 -2.485
29 HG3 ARG 5 HG1 ARG 5 -7.317 -2.262 -1.520
30 HD2 ARG 5 HD2 ARG 5 -7.313 -3.154 -3.706
31 HD3 ARG 5 HD1 ARG 5 -8.438 -4.149 -2.785
32 HE ARG 5 HE ARG 5 -9.822 -2.046 -4.074
33 HH11 ARG 5 HH11 ARG 5 -8.274 -5.112 -4.805
34 HH12 ARG 5 HH12 ARG 5 -9.266 -5.412 -6.194
35 HH21 ARG 5 HH21 ARG 5 -11.107 -2.459 -5.895
36 HH22 ARG 5 HH22 ARG 5 -10.867 -3.910 -6.809
37 H GLN 6 HN GLN 6 -9.344 -1.944 2.248
38 HA GLN 6 HA GLN 6 -12.140 -2.671 2.651
39 HB2 GLN 6 HB2 GLN 6 -9.655 -3.111 4.293
40 HB3 GLN 6 HB1 GLN 6 -11.260 -3.499 4.895
41 HG2 GLN 6 HG2 GLN 6 -11.577 -5.050 3.026
42 HG3 GLN 6 HG1 GLN 6 -9.956 -4.671 2.446
43 HE21 GLN 6 HE21 GLN 6 -8.171 -5.421 3.589
44 HE22 GLN 6 HE22 GLN 6 -8.294 -6.684 4.761
45 H ALA 7 HN ALA 7 -9.943 -0.165 3.542
46 HA ALA 7 HA ALA 7 -11.581 0.838 5.726
47 HB1 ALA 7 HB1 ALA 7 -9.087 1.990 4.473
48 HB2 ALA 7 HB2 ALA 7 -9.135 0.928 5.881
49 HB3 ALA 7 HB3 ALA 7 -9.849 2.538 5.966
50 H GLY 8 HN GLY 8 -12.251 0.823 2.656
51 HA2 GLY 8 HA2 GLY 8 -13.898 2.116 1.578
52 HA3 GLY 8 HA1 GLY 8 -13.541 3.447 2.670
53 H ASN 9 HN ASN 9 -10.832 1.899 1.290
54 HA ASN 9 HA ASN 9 -9.166 2.547 -0.076
55 HB2 ASN 9 HB2 ASN 9 -11.516 3.439 -1.765
56 HB3 ASN 9 HB1 ASN 9 -9.851 3.462 -2.341
57 HD21 ASN 9 HD21 ASN 9 -8.790 1.524 -2.733
58 HD22 ASN 9 HD22 ASN 9 -9.635 0.024 -2.872
59 H ARG 10 HN ARG 10 -8.645 4.054 1.688
60 HA ARG 10 HA ARG 10 -9.017 6.893 1.064
61 HB2 ARG 10 HB2 ARG 10 -8.039 5.403 3.504
62 HB3 ARG 10 HB1 ARG 10 -7.858 7.144 3.353
63 HG2 ARG 10 HG2 ARG 10 -10.290 7.371 3.138
64 HG3 ARG 10 HG1 ARG 10 -10.458 5.624 3.322
65 HD2 ARG 10 HD2 ARG 10 -9.448 5.761 5.544
66 HD3 ARG 10 HD1 ARG 10 -9.266 7.504 5.358
67 HE ARG 10 HE ARG 10 -11.967 6.767 4.985
68 HH11 ARG 10 HH11 ARG 10 -9.599 7.128 7.554
69 HH12 ARG 10 HH12 ARG 10 -10.793 7.454 8.766
70 HH21 ARG 10 HH21 ARG 10 -13.007 7.492 8.217
71 HH22 ARG 10 HH22 ARG 10 -13.512 7.196 6.587
72 H ALA 11 HN ALA 11 -6.500 7.645 2.479
73 HA ALA 11 HA ALA 11 -4.386 6.556 0.787
74 HB1 ALA 11 HB1 ALA 11 -4.979 9.513 0.871
75 HB2 ALA 11 HB2 ALA 11 -5.263 8.444 -0.503
76 HB3 ALA 11 HB3 ALA 11 -3.617 8.748 0.053
77 H CYS 12 HN CYS 12 -2.407 6.517 1.775
78 HA CYS 12 HA CYS 12 -2.301 7.579 4.515
79 HB2 CYS 12 HB2 CYS 12 -0.686 5.429 3.142
80 HB3 CYS 12 HB1 CYS 12 -0.338 6.020 4.762
81 H ALA 13 HN ALA 13 -1.257 9.412 4.840
82 HA ALA 13 HA ALA 13 1.251 9.958 3.443
83 HB1 ALA 13 HB1 ALA 13 -1.025 11.935 3.455
84 HB2 ALA 13 HB2 ALA 13 -0.476 11.006 2.060
85 HB3 ALA 13 HB3 ALA 13 0.589 12.204 2.795
86 H ASN 14 HN ASN 14 0.165 9.424 6.285
87 HA ASN 14 HA ASN 14 0.956 11.860 7.662
88 HB2 ASN 14 HB2 ASN 14 -0.244 9.279 8.648
89 HB3 ASN 14 HB1 ASN 14 0.292 10.556 9.734
90 HD21 ASN 14 HD21 ASN 14 -0.840 12.495 9.805
91 HD22 ASN 14 HD22 ASN 14 -2.433 12.652 9.156
92 H GLN 15 HN GLN 15 1.763 8.438 8.104
93 HA GLN 15 HA GLN 15 4.592 9.111 8.363
94 HB2 GLN 15 HB2 GLN 15 2.977 7.706 10.484
95 HB3 GLN 15 HB1 GLN 15 4.725 7.553 10.384
96 HG2 GLN 15 HG2 GLN 15 4.955 9.968 10.670
97 HG3 GLN 15 HG1 GLN 15 3.202 10.121 10.769
98 HE21 GLN 15 HE21 GLN 15 6.086 9.045 12.377
99 HE22 GLN 15 HE22 GLN 15 5.385 8.848 13.943
100 H LEU 16 HN LEU 16 2.143 6.625 8.165
101 HA LEU 16 HA LEU 16 4.084 4.734 7.059
102 HB2 LEU 16 HB2 LEU 16 2.346 3.003 7.415
103 HB3 LEU 16 HB1 LEU 16 2.766 3.830 8.895
104 HG LEU 16 HG LEU 16 0.296 4.536 7.312
105 HD11 LEU 16 HD11 LEU 16 -0.011 2.250 7.780
106 HD12 LEU 16 HD12 LEU 16 -0.876 3.111 9.054
107 HD13 LEU 16 HD13 LEU 16 0.703 2.402 9.387
108 HD21 LEU 16 HD21 LEU 16 1.244 5.075 10.118
109 HD22 LEU 16 HD22 LEU 16 -0.458 5.184 9.673
110 HD23 LEU 16 HD23 LEU 16 0.724 6.230 8.891
111 H CYS 17 HN CYS 17 2.756 3.181 5.326
112 HA CYS 17 HA CYS 17 1.575 5.033 3.381
113 HB2 CYS 17 HB2 CYS 17 2.983 4.361 1.633
114 HB3 CYS 17 HB1 CYS 17 4.074 4.418 3.010
115 H CYS 18 HN CYS 18 0.098 4.325 2.010
116 HA CYS 18 HA CYS 18 -1.359 1.939 2.748
117 HB2 CYS 18 HB2 CYS 18 -2.511 4.089 2.437
118 HB3 CYS 18 HB1 CYS 18 -2.003 4.113 0.759
119 H SER 19 HN SER 19 -2.157 0.436 1.302
120 HA SER 19 HA SER 19 -0.709 0.101 -1.229
121 HB2 SER 19 HB2 SER 19 -0.025 -1.503 0.559
122 HB3 SER 19 HB1 SER 19 -1.681 -2.103 0.592
123 HG SER 19 HG SER 19 -0.025 -3.215 -0.797
124 H GLN 20 HN GLN 20 -1.947 -1.235 -2.846
125 HA GLN 20 HA GLN 20 -4.775 -0.513 -2.789
126 HB2 GLN 20 HB2 GLN 20 -2.956 -1.523 -4.977
127 HB3 GLN 20 HB1 GLN 20 -4.696 -1.398 -5.192
128 HG2 GLN 20 HG2 GLN 20 -4.568 1.007 -4.723
129 HG3 GLN 20 HG1 GLN 20 -2.819 0.867 -4.556
130 HE21 GLN 20 HE21 GLN 20 -5.504 0.824 -6.757
131 HE22 GLN 20 HE22 GLN 20 -4.580 0.959 -8.210
132 H TYR 21 HN TYR 21 -5.103 -2.071 -1.024
133 HA TYR 21 HA TYR 21 -6.288 -4.482 -1.912
134 HB2 TYR 21 HB2 TYR 21 -4.342 -5.714 -1.958
135 HB3 TYR 21 HB1 TYR 21 -3.513 -4.630 -0.853
136 HD1 TYR 21 HD1 TYR 21 -5.904 -7.453 -1.021
137 HD2 TYR 21 HD2 TYR 21 -3.330 -5.147 1.451
138 HE1 TYR 21 HE1 TYR 21 -6.170 -9.108 0.777
139 HE2 TYR 21 HE2 TYR 21 -3.585 -6.796 3.260
140 HH TYR 21 HH TYR 21 -4.964 -9.861 2.777
141 H GLY 22 HN GLY 22 -4.732 -3.084 0.918
142 HA2 GLY 22 HA2 GLY 22 -6.702 -2.203 2.472
143 HA3 GLY 22 HA1 GLY 22 -6.910 -3.931 2.660
144 H PHE 23 HN PHE 23 -3.737 -2.504 2.215
145 HA PHE 23 HA PHE 23 -3.187 -2.871 5.067
146 HB2 PHE 23 HB2 PHE 23 -2.425 -4.790 3.406
147 HB3 PHE 23 HB1 PHE 23 -1.076 -3.702 3.130
148 HD1 PHE 23 HD1 PHE 23 -1.037 -2.679 6.112
149 HD2 PHE 23 HD2 PHE 23 -1.096 -6.536 4.304
150 HE1 PHE 23 HE1 PHE 23 0.061 -3.625 8.099
151 HE2 PHE 23 HE2 PHE 23 -0.001 -7.484 6.291
152 HZ PHE 23 HZ PHE 23 0.580 -6.029 8.190
153 H CYS 24 HN CYS 24 -2.520 -0.994 5.854
154 HA CYS 24 HA CYS 24 -0.550 0.573 4.334
155 HB2 CYS 24 HB2 CYS 24 -2.674 1.791 4.561
156 HB3 CYS 24 HB1 CYS 24 -2.624 1.561 6.301
157 H GLY 25 HN GLY 25 1.410 0.710 5.258
158 HA2 GLY 25 HA2 GLY 25 1.808 0.863 8.089
159 HA3 GLY 25 HA1 GLY 25 2.226 -0.719 7.460
160 H SER 26 HN SER 26 4.395 -0.701 7.710
161 HA SER 26 HA SER 26 5.906 1.329 6.196
162 HB2 SER 26 HB2 SER 26 6.523 0.220 8.931
163 HB3 SER 26 HB1 SER 26 7.684 1.128 7.964
164 HG SER 26 HG SER 26 5.582 2.613 7.940
165 H THR 27 HN THR 27 5.472 -1.973 7.028
166 HA THR 27 HA THR 27 7.938 -3.115 6.436
167 HB THR 27 HB THR 27 5.361 -4.504 5.776
168 HG1 THR 27 HG1 THR 27 4.779 -3.848 7.733
169 HG21 THR 27 HG21 THR 27 7.443 -5.761 5.424
170 HG22 THR 27 HG22 THR 27 6.503 -6.455 6.744
171 HG23 THR 27 HG23 THR 27 7.913 -5.454 7.096
172 H SER 28 HN SER 28 8.513 -4.490 4.574
173 HA SER 28 HA SER 28 8.255 -3.002 2.117
174 HB2 SER 28 HB2 SER 28 10.422 -3.911 2.931
175 HB3 SER 28 HB1 SER 28 9.806 -5.538 2.648
176 HG SER 28 HG SER 28 10.903 -3.825 0.899
177 H GLU 29 HN GLU 29 5.915 -3.529 2.170
178 HA GLU 29 HA GLU 29 5.342 -5.547 0.179
179 HB2 GLU 29 HB2 GLU 29 4.064 -5.599 2.926
180 HB3 GLU 29 HB1 GLU 29 3.291 -6.318 1.522
181 HG2 GLU 29 HG2 GLU 29 6.058 -7.111 2.364
182 HG3 GLU 29 HG1 GLU 29 4.625 -7.841 3.086
183 H TYR 30 HN TYR 30 4.176 -3.144 2.417
184 HA TYR 30 HA TYR 30 2.235 -2.109 0.529
185 HB2 TYR 30 HB2 TYR 30 2.433 -0.457 2.853
186 HB3 TYR 30 HB1 TYR 30 1.099 -1.489 2.376
187 HD1 TYR 30 HD1 TYR 30 3.473 -0.857 4.889
188 HD2 TYR 30 HD2 TYR 30 1.427 -4.066 2.982
189 HE1 TYR 30 HE1 TYR 30 3.869 -2.278 6.850
190 HE2 TYR 30 HE2 TYR 30 1.827 -5.493 4.940
191 HH TYR 30 HH TYR 30 2.914 -4.270 7.911
192 H CYS 31 HN CYS 31 5.237 -1.259 2.070
193 HA CYS 31 HA CYS 31 5.422 1.194 0.474
194 HB2 CYS 31 HB2 CYS 31 7.052 0.301 2.866
195 HB3 CYS 31 HB1 CYS 31 7.320 1.790 1.978
196 H SER 32 HN SER 32 5.645 -0.436 -1.317
197 HA SER 32 HA SER 32 8.125 -1.894 -1.499
198 HB2 SER 32 HB2 SER 32 5.845 -1.413 -3.396
199 HB3 SER 32 HB1 SER 32 7.308 -2.257 -3.898
200 HG SER 32 HG SER 32 6.837 -3.578 -1.896
201 H ARG 33 HN ARG 33 9.992 -1.291 -2.291
202 HA ARG 33 HA ARG 33 10.215 1.305 -3.629
203 HB2 ARG 33 HB2 ARG 33 12.668 1.114 -3.086
204 HB3 ARG 33 HB1 ARG 33 11.606 1.243 -1.696
205 HG2 ARG 33 HG2 ARG 33 11.818 -1.150 -1.286
206 HG3 ARG 33 HG1 ARG 33 12.832 -1.318 -2.720
207 HD2 ARG 33 HD2 ARG 33 14.489 0.183 -1.712
208 HD3 ARG 33 HD1 ARG 33 13.477 0.330 -0.275
209 HE ARG 33 HE ARG 33 13.891 -2.363 -0.585
210 HH11 ARG 33 HH11 ARG 33 15.996 0.417 -0.165
211 HH12 ARG 33 HH12 ARG 33 17.233 -0.496 0.632
212 HH21 ARG 33 HH21 ARG 33 15.524 -3.538 0.460
213 HH22 ARG 33 HH22 ARG 33 16.965 -2.733 0.985
214 H ALA 34 HN ALA 34 10.828 -2.082 -4.016
215 HA ALA 34 HA ALA 34 12.107 -1.710 -6.615
216 HB1 ALA 34 HB1 ALA 34 11.623 -4.244 -5.059
217 HB2 ALA 34 HB2 ALA 34 13.120 -3.311 -5.064
218 HB3 ALA 34 HB3 ALA 34 12.567 -4.099 -6.542
219 H ASN 35 HN ASN 35 9.191 -2.946 -5.159
220 HA ASN 35 HA ASN 35 8.086 -3.715 -7.752
221 HB2 ASN 35 HB2 ASN 35 7.192 -4.199 -4.914
222 HB3 ASN 35 HB1 ASN 35 6.122 -4.498 -6.279
223 HD21 ASN 35 HD21 ASN 35 6.599 -6.164 -7.712
224 HD22 ASN 35 HD22 ASN 35 7.715 -7.421 -7.314
225 H GLY 36 HN GLY 36 8.013 -1.136 -5.506
226 HA2 GLY 36 HA2 GLY 36 7.153 1.003 -5.954
227 HA3 GLY 36 HA1 GLY 36 6.099 0.305 -7.171
228 H CYS 37 HN CYS 37 6.065 1.878 -4.337
229 HA CYS 37 HA CYS 37 3.943 0.406 -3.015
230 HB2 CYS 37 HB2 CYS 37 4.108 2.050 -1.259
231 HB3 CYS 37 HB1 CYS 37 5.752 1.682 -1.765
232 H GLN 38 HN GLN 38 2.106 2.238 -2.156
233 HA GLN 38 HA GLN 38 0.980 3.218 -4.700
234 HB2 GLN 38 HB2 GLN 38 -0.654 2.472 -2.277
235 HB3 GLN 38 HB1 GLN 38 -1.202 2.687 -3.933
236 HG2 GLN 38 HG2 GLN 38 0.696 0.503 -3.111
237 HG3 GLN 38 HG1 GLN 38 -1.054 0.313 -3.089
238 HE21 GLN 38 HE21 GLN 38 -1.087 -1.297 -4.619
239 HE22 GLN 38 HE22 GLN 38 -0.726 -1.024 -6.286
240 H SER 39 HN SER 39 0.695 3.814 -1.180
241 HA SER 39 HA SER 39 0.150 6.621 -1.674
242 HB2 SER 39 HB2 SER 39 0.011 4.751 0.603
243 HB3 SER 39 HB1 SER 39 0.310 6.438 1.008
244 HG SER 39 HG SER 39 -1.568 6.769 -0.549
245 H ASN 40 HN ASN 40 1.301 8.059 0.206
246 HA ASN 40 HA ASN 40 3.924 8.503 -0.698
247 HB2 ASN 40 HB2 ASN 40 2.171 10.059 0.498
248 HB3 ASN 40 HB1 ASN 40 2.999 9.526 1.957
249 HD21 ASN 40 HD21 ASN 40 5.140 10.124 2.296
250 HD22 ASN 40 HD22 ASN 40 5.887 11.407 1.411
251 H CYS 41 HN CYS 41 5.091 6.594 -0.480
252 HA CYS 41 HA CYS 41 5.665 5.655 2.224
253 HB2 CYS 41 HB2 CYS 41 6.646 3.678 1.172
254 HB3 CYS 41 HB1 CYS 41 5.039 3.958 0.521
255 H ARG 42 HN ARG 42 7.593 6.243 -0.676
256 HA ARG 42 HA ARG 42 9.802 7.149 1.041
257 HB2 ARG 42 HB2 ARG 42 11.255 6.689 -1.013
258 HB3 ARG 42 HB1 ARG 42 10.569 5.282 -0.219
259 HG2 ARG 42 HG2 ARG 42 8.818 5.189 -1.959
260 HG3 ARG 42 HG1 ARG 42 9.581 6.559 -2.767
261 HD2 ARG 42 HD2 ARG 42 11.624 5.261 -3.059
262 HD3 ARG 42 HD1 ARG 42 10.889 3.896 -2.218
263 HE ARG 42 HE ARG 42 9.207 4.509 -4.325
264 HH11 ARG 42 HH11 ARG 42 12.533 3.435 -3.977
265 HH12 ARG 42 HH12 ARG 42 12.544 2.602 -5.495
266 HH21 ARG 42 HH21 ARG 42 9.246 3.413 -6.309
267 HH22 ARG 42 HH22 ARG 42 10.684 2.590 -6.813
268 H GLY 43 HN GLY 43 7.484 8.277 -1.151
269 HA2 GLY 43 HA2 GLY 43 7.135 10.615 -1.471
270 HA3 GLY 43 HA1 GLY 43 8.867 10.866 -1.315
Start of MODEL 13
1 H1 GLN 1 HT1 GLN 1 -2.639 -0.751 10.338
2 H2 GLN 1 HT2 GLN 1 -3.321 -2.287 10.147
3 H3 GLN 1 HT3 GLN 1 -4.151 -1.096 11.016
4 HA GLN 1 HA GLN 1 -3.517 -0.993 8.125
5 HB2 GLN 1 HB2 GLN 1 -6.058 -1.626 9.625
6 HB3 GLN 1 HB1 GLN 1 -6.061 -1.116 7.944
7 HG2 GLN 1 HG2 GLN 1 -4.731 -3.047 7.328
8 HG3 GLN 1 HG1 GLN 1 -4.639 -3.544 9.017
9 HE21 GLN 1 HE21 GLN 1 -6.670 -3.274 6.210
10 HE22 GLN 1 HE22 GLN 1 -7.946 -4.287 6.783
11 H ASN 2 HN ASN 2 -3.871 0.903 7.126
12 HA ASN 2 HA ASN 2 -5.096 3.095 8.653
13 HB2 ASN 2 HB2 ASN 2 -2.350 2.929 7.652
14 HB3 ASN 2 HB1 ASN 2 -3.189 4.364 7.073
15 HD21 ASN 2 HD21 ASN 2 -3.791 5.946 8.516
16 HD22 ASN 2 HD22 ASN 2 -3.232 5.989 10.150
17 H CYS 3 HN CYS 3 -4.658 1.482 5.636
18 HA CYS 3 HA CYS 3 -6.845 2.784 4.388
19 HB2 CYS 3 HB2 CYS 3 -5.632 4.667 3.874
20 HB3 CYS 3 HB1 CYS 3 -4.103 3.815 3.904
21 H GLY 4 HN GLY 4 -6.753 2.261 1.868
22 HA2 GLY 4 HA2 GLY 4 -5.492 0.512 0.432
23 HA3 GLY 4 HA1 GLY 4 -6.083 -0.588 1.660
24 H ARG 5 HN ARG 5 -8.040 -1.468 1.401
25 HA ARG 5 HA ARG 5 -9.926 -0.246 -0.500
26 HB2 ARG 5 HB2 ARG 5 -9.357 -3.212 -0.346
27 HB3 ARG 5 HB1 ARG 5 -10.459 -2.411 -1.455
28 HG2 ARG 5 HG2 ARG 5 -8.439 -1.185 -2.354
29 HG3 ARG 5 HG1 ARG 5 -7.464 -2.322 -1.423
30 HD2 ARG 5 HD2 ARG 5 -8.471 -4.190 -2.620
31 HD3 ARG 5 HD1 ARG 5 -9.492 -3.075 -3.527
32 HE ARG 5 HE ARG 5 -6.814 -2.342 -3.906
33 HH11 ARG 5 HH11 ARG 5 -8.976 -4.968 -4.785
34 HH12 ARG 5 HH12 ARG 5 -8.111 -5.343 -6.239
35 HH21 ARG 5 HH21 ARG 5 -5.701 -2.852 -5.812
36 HH22 ARG 5 HH22 ARG 5 -6.260 -4.146 -6.818
37 H GLN 6 HN GLN 6 -9.300 -1.889 2.409
38 HA GLN 6 HA GLN 6 -12.047 -2.645 2.963
39 HB2 GLN 6 HB2 GLN 6 -9.496 -2.888 4.542
40 HB3 GLN 6 HB1 GLN 6 -11.063 -3.311 5.219
41 HG2 GLN 6 HG2 GLN 6 -11.372 -4.981 3.463
42 HG3 GLN 6 HG1 GLN 6 -9.802 -4.554 2.782
43 HE21 GLN 6 HE21 GLN 6 -7.926 -5.145 3.877
44 HE22 GLN 6 HE22 GLN 6 -7.928 -6.346 5.117
45 H ALA 7 HN ALA 7 -9.896 -0.045 3.744
46 HA ALA 7 HA ALA 7 -11.577 1.011 5.868
47 HB1 ALA 7 HB1 ALA 7 -9.087 2.161 4.610
48 HB2 ALA 7 HB2 ALA 7 -9.134 1.141 6.049
49 HB3 ALA 7 HB3 ALA 7 -9.876 2.742 6.077
50 H GLY 8 HN GLY 8 -12.179 0.881 2.778
51 HA2 GLY 8 HA2 GLY 8 -13.827 2.100 1.619
52 HA3 GLY 8 HA1 GLY 8 -13.540 3.467 2.688
53 H ASN 9 HN ASN 9 -10.808 1.889 1.324
54 HA ASN 9 HA ASN 9 -9.128 2.538 -0.026
55 HB2 ASN 9 HB2 ASN 9 -11.463 3.477 -1.710
56 HB3 ASN 9 HB1 ASN 9 -9.798 3.491 -2.282
57 HD21 ASN 9 HD21 ASN 9 -12.510 1.517 -1.384
58 HD22 ASN 9 HD22 ASN 9 -11.916 0.039 -2.054
59 H ARG 10 HN ARG 10 -8.539 3.995 1.716
60 HA ARG 10 HA ARG 10 -8.899 6.852 1.170
61 HB2 ARG 10 HB2 ARG 10 -7.927 5.285 3.560
62 HB3 ARG 10 HB1 ARG 10 -7.695 7.023 3.451
63 HG2 ARG 10 HG2 ARG 10 -10.119 7.331 3.273
64 HG3 ARG 10 HG1 ARG 10 -10.342 5.585 3.405
65 HD2 ARG 10 HD2 ARG 10 -9.305 5.620 5.619
66 HD3 ARG 10 HD1 ARG 10 -9.073 7.363 5.486
67 HE ARG 10 HE ARG 10 -11.797 6.741 5.117
68 HH11 ARG 10 HH11 ARG 10 -9.401 6.857 7.683
69 HH12 ARG 10 HH12 ARG 10 -10.574 7.159 8.920
70 HH21 ARG 10 HH21 ARG 10 -12.787 7.317 8.394
71 HH22 ARG 10 HH22 ARG 10 -13.314 7.136 6.753
72 H ALA 11 HN ALA 11 -6.414 7.639 2.501
73 HA ALA 11 HA ALA 11 -4.289 6.534 0.826
74 HB1 ALA 11 HB1 ALA 11 -4.895 9.488 0.925
75 HB2 ALA 11 HB2 ALA 11 -5.168 8.426 -0.457
76 HB3 ALA 11 HB3 ALA 11 -3.525 8.735 0.107
77 H CYS 12 HN CYS 12 -2.296 6.520 1.814
78 HA CYS 12 HA CYS 12 -2.243 7.547 4.573
79 HB2 CYS 12 HB2 CYS 12 -0.666 5.382 3.189
80 HB3 CYS 12 HB1 CYS 12 -0.214 6.013 4.769
81 H ALA 13 HN ALA 13 -1.252 9.393 4.921
82 HA ALA 13 HA ALA 13 1.236 10.017 3.493
83 HB1 ALA 13 HB1 ALA 13 -0.932 12.068 3.872
84 HB2 ALA 13 HB2 ALA 13 -0.716 11.143 2.388
85 HB3 ALA 13 HB3 ALA 13 0.560 12.226 2.943
86 H ASN 14 HN ASN 14 0.379 9.206 6.321
87 HA ASN 14 HA ASN 14 1.193 11.526 7.874
88 HB2 ASN 14 HB2 ASN 14 0.154 8.813 8.676
89 HB3 ASN 14 HB1 ASN 14 0.732 9.996 9.846
90 HD21 ASN 14 HD21 ASN 14 -1.750 9.202 7.551
91 HD22 ASN 14 HD22 ASN 14 -2.887 10.397 8.061
92 H GLN 15 HN GLN 15 2.094 8.183 8.522
93 HA GLN 15 HA GLN 15 4.935 8.904 8.324
94 HB2 GLN 15 HB2 GLN 15 3.582 7.514 10.633
95 HB3 GLN 15 HB1 GLN 15 5.317 7.440 10.370
96 HG2 GLN 15 HG2 GLN 15 5.302 9.196 11.786
97 HG3 GLN 15 HG1 GLN 15 4.985 10.097 10.306
98 HE21 GLN 15 HE21 GLN 15 3.604 8.793 13.223
99 HE22 GLN 15 HE22 GLN 15 2.148 9.721 13.189
100 H LEU 16 HN LEU 16 2.460 6.493 8.123
101 HA LEU 16 HA LEU 16 4.379 4.488 7.187
102 HB2 LEU 16 HB2 LEU 16 2.362 2.916 7.331
103 HB3 LEU 16 HB1 LEU 16 3.035 3.489 8.840
104 HG LEU 16 HG LEU 16 0.632 4.823 7.620
105 HD11 LEU 16 HD11 LEU 16 0.044 2.493 7.730
106 HD12 LEU 16 HD12 LEU 16 -0.751 3.351 9.052
107 HD13 LEU 16 HD13 LEU 16 0.678 2.375 9.372
108 HD21 LEU 16 HD21 LEU 16 1.536 4.495 10.486
109 HD22 LEU 16 HD22 LEU 16 0.143 5.421 9.929
110 HD23 LEU 16 HD23 LEU 16 1.773 5.942 9.508
111 H CYS 17 HN CYS 17 2.648 2.935 5.540
112 HA CYS 17 HA CYS 17 1.841 4.767 3.430
113 HB2 CYS 17 HB2 CYS 17 3.457 2.521 2.428
114 HB3 CYS 17 HB1 CYS 17 3.374 4.180 1.868
115 H CYS 18 HN CYS 18 0.335 4.181 2.122
116 HA CYS 18 HA CYS 18 -1.009 1.633 2.601
117 HB2 CYS 18 HB2 CYS 18 -2.308 3.642 2.918
118 HB3 CYS 18 HB1 CYS 18 -1.913 4.193 1.302
119 H SER 19 HN SER 19 -1.871 0.405 0.966
120 HA SER 19 HA SER 19 -0.989 0.836 -1.786
121 HB2 SER 19 HB2 SER 19 -0.563 -1.672 -1.955
122 HB3 SER 19 HB1 SER 19 0.622 -0.777 -1.006
123 HG SER 19 HG SER 19 0.133 -2.054 0.574
124 H GLN 20 HN GLN 20 -2.357 -0.154 -3.375
125 HA GLN 20 HA GLN 20 -5.114 -0.193 -2.639
126 HB2 GLN 20 HB2 GLN 20 -3.681 -0.780 -5.227
127 HB3 GLN 20 HB1 GLN 20 -5.427 -0.915 -5.074
128 HG2 GLN 20 HG2 GLN 20 -5.554 1.445 -4.448
129 HG3 GLN 20 HG1 GLN 20 -3.803 1.577 -4.607
130 HE21 GLN 20 HE21 GLN 20 -2.872 1.524 -6.655
131 HE22 GLN 20 HE22 GLN 20 -3.798 1.781 -8.090
132 H TYR 21 HN TYR 21 -5.177 -1.829 -1.070
133 HA TYR 21 HA TYR 21 -5.908 -4.414 -2.043
134 HB2 TYR 21 HB2 TYR 21 -3.651 -5.055 -2.021
135 HB3 TYR 21 HB1 TYR 21 -3.275 -4.039 -0.641
136 HD1 TYR 21 HD1 TYR 21 -3.361 -4.901 1.572
137 HD2 TYR 21 HD2 TYR 21 -4.848 -7.226 -1.658
138 HE1 TYR 21 HE1 TYR 21 -3.494 -6.866 3.051
139 HE2 TYR 21 HE2 TYR 21 -4.988 -9.195 -0.194
140 HH TYR 21 HH TYR 21 -4.707 -8.990 3.186
141 H GLY 22 HN GLY 22 -4.824 -2.723 0.843
142 HA2 GLY 22 HA2 GLY 22 -6.910 -2.207 2.337
143 HA3 GLY 22 HA1 GLY 22 -6.948 -3.956 2.440
144 H PHE 23 HN PHE 23 -3.808 -2.625 2.154
145 HA PHE 23 HA PHE 23 -3.441 -2.734 5.056
146 HB2 PHE 23 HB2 PHE 23 -2.638 -4.798 3.601
147 HB3 PHE 23 HB1 PHE 23 -1.241 -3.768 3.337
148 HD1 PHE 23 HD1 PHE 23 -1.760 -6.517 4.876
149 HD2 PHE 23 HD2 PHE 23 -1.054 -2.489 6.077
150 HE1 PHE 23 HE1 PHE 23 -0.840 -7.314 7.012
151 HE2 PHE 23 HE2 PHE 23 -0.135 -3.286 8.214
152 HZ PHE 23 HZ PHE 23 -0.025 -5.700 8.683
153 H CYS 24 HN CYS 24 -2.476 -1.044 5.875
154 HA CYS 24 HA CYS 24 -0.474 0.423 4.316
155 HB2 CYS 24 HB2 CYS 24 -2.478 1.789 4.327
156 HB3 CYS 24 HB1 CYS 24 -2.660 1.576 6.059
157 H GLY 25 HN GLY 25 1.428 0.637 5.336
158 HA2 GLY 25 HA2 GLY 25 1.746 0.881 8.145
159 HA3 GLY 25 HA1 GLY 25 2.081 -0.763 7.636
160 H SER 26 HN SER 26 4.255 -0.820 7.991
161 HA SER 26 HA SER 26 5.896 1.046 6.401
162 HB2 SER 26 HB2 SER 26 6.427 -0.050 9.157
163 HB3 SER 26 HB1 SER 26 7.636 0.792 8.187
164 HG SER 26 HG SER 26 6.100 2.574 8.126
165 H THR 27 HN THR 27 5.205 -2.209 7.188
166 HA THR 27 HA THR 27 7.658 -3.455 6.640
167 HB THR 27 HB THR 27 5.019 -4.766 6.086
168 HG1 THR 27 HG1 THR 27 4.493 -4.206 8.062
169 HG21 THR 27 HG21 THR 27 7.035 -6.107 5.672
170 HG22 THR 27 HG22 THR 27 6.126 -6.744 7.044
171 HG23 THR 27 HG23 THR 27 7.585 -5.791 7.319
172 H SER 28 HN SER 28 8.182 -4.852 4.813
173 HA SER 28 HA SER 28 7.952 -3.422 2.331
174 HB2 SER 28 HB2 SER 28 10.065 -4.455 3.153
175 HB3 SER 28 HB1 SER 28 9.347 -6.041 2.880
176 HG SER 28 HG SER 28 8.999 -5.119 0.635
177 H GLU 29 HN GLU 29 5.566 -3.825 2.433
178 HA GLU 29 HA GLU 29 4.869 -5.851 0.493
179 HB2 GLU 29 HB2 GLU 29 3.669 -5.832 3.271
180 HB3 GLU 29 HB1 GLU 29 2.826 -6.531 1.899
181 HG2 GLU 29 HG2 GLU 29 5.585 -7.425 2.661
182 HG3 GLU 29 HG1 GLU 29 4.148 -8.093 3.433
183 H TYR 30 HN TYR 30 3.890 -3.338 2.684
184 HA TYR 30 HA TYR 30 1.915 -2.309 0.796
185 HB2 TYR 30 HB2 TYR 30 1.934 -0.740 3.152
186 HB3 TYR 30 HB1 TYR 30 0.698 -1.877 2.632
187 HD1 TYR 30 HD1 TYR 30 1.067 -4.373 3.305
188 HD2 TYR 30 HD2 TYR 30 3.133 -1.129 5.132
189 HE1 TYR 30 HE1 TYR 30 1.535 -5.782 5.257
190 HE2 TYR 30 HE2 TYR 30 3.598 -2.535 7.089
191 HH TYR 30 HH TYR 30 3.160 -5.897 7.093
192 H CYS 31 HN CYS 31 4.988 -1.612 2.224
193 HA CYS 31 HA CYS 31 5.094 0.906 0.718
194 HB2 CYS 31 HB2 CYS 31 4.932 1.085 3.301
195 HB3 CYS 31 HB1 CYS 31 6.608 0.556 3.285
196 H SER 32 HN SER 32 6.034 -0.353 -0.984
197 HA SER 32 HA SER 32 8.938 -0.501 -0.702
198 HB2 SER 32 HB2 SER 32 8.927 -2.743 -1.966
199 HB3 SER 32 HB1 SER 32 8.470 -2.801 -0.265
200 HG SER 32 HG SER 32 6.675 -3.650 -0.906
201 H ARG 33 HN ARG 33 10.015 0.077 -2.521
202 HA ARG 33 HA ARG 33 8.452 1.251 -4.641
203 HB2 ARG 33 HB2 ARG 33 10.533 2.250 -3.552
204 HB3 ARG 33 HB1 ARG 33 11.467 1.083 -4.472
205 HG2 ARG 33 HG2 ARG 33 11.618 2.945 -5.811
206 HG3 ARG 33 HG1 ARG 33 10.225 2.132 -6.523
207 HD2 ARG 33 HD2 ARG 33 8.729 3.573 -5.217
208 HD3 ARG 33 HD1 ARG 33 10.128 4.387 -4.518
209 HE ARG 33 HE ARG 33 9.750 4.408 -7.428
210 HH11 ARG 33 HH11 ARG 33 9.873 6.192 -4.405
211 HH12 ARG 33 HH12 ARG 33 9.935 7.736 -5.187
212 HH21 ARG 33 HH21 ARG 33 9.834 6.441 -8.428
213 HH22 ARG 33 HH22 ARG 33 9.913 7.876 -7.462
214 H ALA 34 HN ALA 34 9.107 -1.839 -4.194
215 HA ALA 34 HA ALA 34 9.773 -2.409 -7.003
216 HB1 ALA 34 HB1 ALA 34 10.584 -4.580 -6.276
217 HB2 ALA 34 HB2 ALA 34 10.126 -4.209 -4.615
218 HB3 ALA 34 HB3 ALA 34 11.406 -3.287 -5.403
219 H ASN 35 HN ASN 35 7.456 -2.883 -4.470
220 HA ASN 35 HA ASN 35 5.612 -4.135 -6.360
221 HB2 ASN 35 HB2 ASN 35 6.386 -5.302 -3.694
222 HB3 ASN 35 HB1 ASN 35 4.881 -5.725 -4.501
223 HD21 ASN 35 HD21 ASN 35 8.342 -5.967 -4.572
224 HD22 ASN 35 HD22 ASN 35 8.436 -7.212 -5.766
225 H GLY 36 HN GLY 36 6.151 -2.455 -3.361
226 HA2 GLY 36 HA2 GLY 36 3.299 -2.006 -2.926
227 HA3 GLY 36 HA1 GLY 36 4.597 -1.568 -1.830
228 H CYS 37 HN CYS 37 4.561 0.509 -1.502
229 HA CYS 37 HA CYS 37 4.044 2.728 -1.740
230 HB2 CYS 37 HB2 CYS 37 6.244 2.065 -3.622
231 HB3 CYS 37 HB1 CYS 37 5.576 3.692 -3.672
232 H GLN 38 HN GLN 38 1.929 2.914 -2.286
233 HA GLN 38 HA GLN 38 1.413 3.484 -5.129
234 HB2 GLN 38 HB2 GLN 38 -0.612 2.312 -3.217
235 HB3 GLN 38 HB1 GLN 38 -0.808 2.566 -4.944
236 HG2 GLN 38 HG2 GLN 38 1.445 0.972 -4.794
237 HG3 GLN 38 HG1 GLN 38 0.408 0.328 -3.525
238 HE21 GLN 38 HE21 GLN 38 -1.512 -0.666 -4.071
239 HE22 GLN 38 HE22 GLN 38 -1.913 -1.101 -5.694
240 H SER 39 HN SER 39 0.400 4.087 -1.766
241 HA SER 39 HA SER 39 -0.752 6.655 -2.481
242 HB2 SER 39 HB2 SER 39 -1.690 5.055 -0.739
243 HB3 SER 39 HB1 SER 39 -0.315 5.490 0.276
244 HG SER 39 HG SER 39 -1.448 7.154 0.852
245 H ASN 40 HN ASN 40 0.105 7.994 -0.001
246 HA ASN 40 HA ASN 40 2.623 9.035 -0.930
247 HB2 ASN 40 HB2 ASN 40 0.722 9.723 1.281
248 HB3 ASN 40 HB1 ASN 40 2.339 10.420 1.269
249 HD21 ASN 40 HD21 ASN 40 2.907 11.859 -0.366
250 HD22 ASN 40 HD22 ASN 40 1.723 12.630 -1.360
251 H CYS 41 HN CYS 41 3.954 7.183 -0.729
252 HA CYS 41 HA CYS 41 4.524 6.199 1.960
253 HB2 CYS 41 HB2 CYS 41 5.705 4.392 0.921
254 HB3 CYS 41 HB1 CYS 41 4.245 4.636 -0.029
255 H ARG 42 HN ARG 42 6.573 6.185 2.897
256 HA ARG 42 HA ARG 42 8.515 7.098 3.629
257 HB2 ARG 42 HB2 ARG 42 9.052 7.179 0.655
258 HB3 ARG 42 HB1 ARG 42 10.276 7.521 1.870
259 HG2 ARG 42 HG2 ARG 42 10.324 5.317 2.621
260 HG3 ARG 42 HG1 ARG 42 8.751 4.943 1.920
261 HD2 ARG 42 HD2 ARG 42 11.213 5.573 0.298
262 HD3 ARG 42 HD1 ARG 42 10.702 3.939 0.715
263 HE ARG 42 HE ARG 42 8.628 4.428 -0.551
264 HH11 ARG 42 HH11 ARG 42 11.503 6.319 -1.267
265 HH12 ARG 42 HH12 ARG 42 10.987 6.702 -2.875
266 HH21 ARG 42 HH21 ARG 42 7.973 4.951 -2.653
267 HH22 ARG 42 HH22 ARG 42 8.991 5.929 -3.657
268 H GLY 43 HN GLY 43 6.249 8.954 3.074
269 HA2 GLY 43 HA2 GLY 43 7.742 11.426 3.424
270 HA3 GLY 43 HA1 GLY 43 6.688 11.371 2.020
Start of MODEL 14
1 H1 GLN 1 HT1 GLN 1 -4.390 -1.810 10.501
2 H2 GLN 1 HT2 GLN 1 -5.415 -0.576 11.037
3 H3 GLN 1 HT3 GLN 1 -3.769 -0.265 10.805
4 HA GLN 1 HA GLN 1 -3.980 -0.623 8.448
5 HB2 GLN 1 HB2 GLN 1 -6.851 -1.180 9.193
6 HB3 GLN 1 HB1 GLN 1 -6.375 -0.743 7.557
7 HG2 GLN 1 HG2 GLN 1 -4.996 -2.698 7.376
8 HG3 GLN 1 HG1 GLN 1 -5.281 -3.103 9.067
9 HE21 GLN 1 HE21 GLN 1 -7.272 -3.943 9.681
10 HE22 GLN 1 HE22 GLN 1 -8.393 -4.585 8.535
11 H ASN 2 HN ASN 2 -3.887 1.245 7.385
12 HA ASN 2 HA ASN 2 -5.272 3.567 8.542
13 HB2 ASN 2 HB2 ASN 2 -2.539 3.191 7.530
14 HB3 ASN 2 HB1 ASN 2 -3.325 4.631 6.898
15 HD21 ASN 2 HD21 ASN 2 -2.298 2.970 9.801
16 HD22 ASN 2 HD22 ASN 2 -2.288 4.362 10.825
17 H CYS 3 HN CYS 3 -4.762 1.727 5.649
18 HA CYS 3 HA CYS 3 -6.939 2.972 4.284
19 HB2 CYS 3 HB2 CYS 3 -5.580 4.753 3.700
20 HB3 CYS 3 HB1 CYS 3 -4.131 3.770 3.675
21 H GLY 4 HN GLY 4 -6.754 2.271 1.786
22 HA2 GLY 4 HA2 GLY 4 -5.623 0.324 0.527
23 HA3 GLY 4 HA1 GLY 4 -6.307 -0.632 1.826
24 H ARG 5 HN ARG 5 -7.779 -1.832 0.686
25 HA ARG 5 HA ARG 5 -9.803 -0.319 -0.807
26 HB2 ARG 5 HB2 ARG 5 -10.297 -2.391 -2.069
27 HB3 ARG 5 HB1 ARG 5 -8.620 -1.907 -2.246
28 HG2 ARG 5 HG2 ARG 5 -7.946 -3.629 -0.654
29 HG3 ARG 5 HG1 ARG 5 -9.633 -4.098 -0.440
30 HD2 ARG 5 HD2 ARG 5 -9.767 -4.689 -2.810
31 HD3 ARG 5 HD1 ARG 5 -8.084 -4.214 -3.027
32 HE ARG 5 HE ARG 5 -8.201 -6.130 -0.991
33 HH11 ARG 5 HH11 ARG 5 -8.704 -5.960 -4.463
34 HH12 ARG 5 HH12 ARG 5 -8.270 -7.616 -4.722
35 HH21 ARG 5 HH21 ARG 5 -7.639 -8.295 -1.354
36 HH22 ARG 5 HH22 ARG 5 -7.668 -8.937 -2.963
37 H GLN 6 HN GLN 6 -9.415 -1.456 2.151
38 HA GLN 6 HA GLN 6 -12.140 -2.535 2.438
39 HB2 GLN 6 HB2 GLN 6 -9.684 -2.898 4.146
40 HB3 GLN 6 HB1 GLN 6 -11.291 -3.356 4.687
41 HG2 GLN 6 HG2 GLN 6 -11.474 -4.899 2.786
42 HG3 GLN 6 HG1 GLN 6 -9.840 -4.459 2.291
43 HE21 GLN 6 HE21 GLN 6 -11.775 -6.147 4.630
44 HE22 GLN 6 HE22 GLN 6 -10.486 -7.039 5.356
45 H ALA 7 HN ALA 7 -9.981 -0.015 3.409
46 HA ALA 7 HA ALA 7 -11.658 0.966 5.561
47 HB1 ALA 7 HB1 ALA 7 -9.971 2.708 5.802
48 HB2 ALA 7 HB2 ALA 7 -9.198 2.183 4.306
49 HB3 ALA 7 HB3 ALA 7 -9.216 1.117 5.710
50 H GLY 8 HN GLY 8 -12.150 1.016 2.385
51 HA2 GLY 8 HA2 GLY 8 -13.860 2.246 1.311
52 HA3 GLY 8 HA1 GLY 8 -13.626 3.546 2.470
53 H ASN 9 HN ASN 9 -10.862 2.111 0.972
54 HA ASN 9 HA ASN 9 -9.198 2.902 -0.327
55 HB2 ASN 9 HB2 ASN 9 -11.564 3.927 -1.912
56 HB3 ASN 9 HB1 ASN 9 -9.903 4.014 -2.494
57 HD21 ASN 9 HD21 ASN 9 -12.572 1.927 -1.731
58 HD22 ASN 9 HD22 ASN 9 -11.959 0.518 -2.520
59 H ARG 10 HN ARG 10 -8.642 4.216 1.535
60 HA ARG 10 HA ARG 10 -8.947 7.107 1.123
61 HB2 ARG 10 HB2 ARG 10 -8.105 5.432 3.496
62 HB3 ARG 10 HB1 ARG 10 -7.872 7.174 3.461
63 HG2 ARG 10 HG2 ARG 10 -10.282 7.491 3.196
64 HG3 ARG 10 HG1 ARG 10 -10.514 5.743 3.238
65 HD2 ARG 10 HD2 ARG 10 -9.576 5.674 5.496
66 HD3 ARG 10 HD1 ARG 10 -9.338 7.421 5.452
67 HE ARG 10 HE ARG 10 -12.031 6.909 4.930
68 HH11 ARG 10 HH11 ARG 10 -9.797 6.576 7.618
69 HH12 ARG 10 HH12 ARG 10 -11.034 6.755 8.818
70 HH21 ARG 10 HH21 ARG 10 -13.203 7.073 8.193
71 HH22 ARG 10 HH22 ARG 10 -13.633 7.142 6.517
72 H ALA 11 HN ALA 11 -6.520 7.825 2.547
73 HA ALA 11 HA ALA 11 -4.357 6.663 0.963
74 HB1 ALA 11 HB1 ALA 11 -3.506 8.840 0.268
75 HB2 ALA 11 HB2 ALA 11 -4.885 9.634 1.029
76 HB3 ALA 11 HB3 ALA 11 -5.133 8.572 -0.358
77 H CYS 12 HN CYS 12 -2.373 6.688 1.969
78 HA CYS 12 HA CYS 12 -2.393 7.588 4.761
79 HB2 CYS 12 HB2 CYS 12 -0.548 5.673 3.318
80 HB3 CYS 12 HB1 CYS 12 -0.412 6.107 5.019
81 H ALA 13 HN ALA 13 -1.612 9.526 5.120
82 HA ALA 13 HA ALA 13 0.876 10.363 3.796
83 HB1 ALA 13 HB1 ALA 13 -1.531 12.129 4.198
84 HB2 ALA 13 HB2 ALA 13 -0.999 11.448 2.661
85 HB3 ALA 13 HB3 ALA 13 0.016 12.617 3.505
86 H ASN 14 HN ASN 14 0.058 9.330 6.555
87 HA ASN 14 HA ASN 14 0.713 11.594 8.255
88 HB2 ASN 14 HB2 ASN 14 -0.185 8.789 8.876
89 HB3 ASN 14 HB1 ASN 14 0.320 9.922 10.125
90 HD21 ASN 14 HD21 ASN 14 -2.095 9.154 7.752
91 HD22 ASN 14 HD22 ASN 14 -3.301 10.251 8.326
92 H GLN 15 HN GLN 15 1.828 8.233 8.334
93 HA GLN 15 HA GLN 15 4.615 9.089 8.305
94 HB2 GLN 15 HB2 GLN 15 3.331 7.658 10.622
95 HB3 GLN 15 HB1 GLN 15 5.057 7.545 10.313
96 HG2 GLN 15 HG2 GLN 15 5.262 9.966 10.534
97 HG3 GLN 15 HG1 GLN 15 3.528 10.088 10.830
98 HE21 GLN 15 HE21 GLN 15 2.688 9.372 12.789
99 HE22 GLN 15 HE22 GLN 15 3.688 9.087 14.168
100 H LEU 16 HN LEU 16 2.211 6.654 7.909
101 HA LEU 16 HA LEU 16 4.233 4.743 6.969
102 HB2 LEU 16 HB2 LEU 16 2.345 3.033 7.153
103 HB3 LEU 16 HB1 LEU 16 3.004 3.646 8.650
104 HG LEU 16 HG LEU 16 0.472 4.786 7.486
105 HD11 LEU 16 HD11 LEU 16 0.121 2.395 7.636
106 HD12 LEU 16 HD12 LEU 16 -0.766 3.219 8.919
107 HD13 LEU 16 HD13 LEU 16 0.742 2.387 9.288
108 HD21 LEU 16 HD21 LEU 16 1.544 4.595 10.307
109 HD22 LEU 16 HD22 LEU 16 -0.006 5.297 9.847
110 HD23 LEU 16 HD23 LEU 16 1.494 6.049 9.310
111 H CYS 17 HN CYS 17 2.599 3.101 5.357
112 HA CYS 17 HA CYS 17 1.654 4.885 3.251
113 HB2 CYS 17 HB2 CYS 17 3.152 2.799 1.987
114 HB3 CYS 17 HB1 CYS 17 3.389 4.539 1.878
115 H CYS 18 HN CYS 18 0.141 4.196 1.960
116 HA CYS 18 HA CYS 18 -1.308 1.796 2.673
117 HB2 CYS 18 HB2 CYS 18 -2.466 3.958 2.429
118 HB3 CYS 18 HB1 CYS 18 -1.995 4.005 0.741
119 H SER 19 HN SER 19 -2.099 0.313 1.233
120 HA SER 19 HA SER 19 -0.851 0.132 -1.416
121 HB2 SER 19 HB2 SER 19 0.055 -1.398 0.473
122 HB3 SER 19 HB1 SER 19 -1.439 -2.296 0.218
123 HG SER 19 HG SER 19 -0.327 -3.217 -1.311
124 H GLN 20 HN GLN 20 -2.092 -1.206 -2.959
125 HA GLN 20 HA GLN 20 -4.958 -0.890 -2.593
126 HB2 GLN 20 HB2 GLN 20 -3.525 -0.461 -4.763
127 HB3 GLN 20 HB1 GLN 20 -3.728 -2.189 -5.006
128 HG2 GLN 20 HG2 GLN 20 -6.155 -1.912 -4.967
129 HG3 GLN 20 HG1 GLN 20 -5.952 -0.179 -4.719
130 HE21 GLN 20 HE21 GLN 20 -5.226 1.103 -6.415
131 HE22 GLN 20 HE22 GLN 20 -5.239 0.555 -8.053
132 H TYR 21 HN TYR 21 -5.150 -2.383 -0.859
133 HA TYR 21 HA TYR 21 -5.901 -5.025 -1.561
134 HB2 TYR 21 HB2 TYR 21 -3.589 -5.626 -1.609
135 HB3 TYR 21 HB1 TYR 21 -3.229 -4.659 -0.190
136 HD1 TYR 21 HD1 TYR 21 -4.561 -7.841 -1.393
137 HD2 TYR 21 HD2 TYR 21 -3.625 -5.541 2.054
138 HE1 TYR 21 HE1 TYR 21 -4.747 -9.864 -0.009
139 HE2 TYR 21 HE2 TYR 21 -3.805 -7.557 3.453
140 HH TYR 21 HH TYR 21 -4.899 -9.761 3.375
141 H GLY 22 HN GLY 22 -4.791 -2.895 0.972
142 HA2 GLY 22 HA2 GLY 22 -6.651 -2.272 2.596
143 HA3 GLY 22 HA1 GLY 22 -6.792 -4.004 2.832
144 H PHE 23 HN PHE 23 -3.628 -2.762 2.259
145 HA PHE 23 HA PHE 23 -3.046 -2.947 5.121
146 HB2 PHE 23 HB2 PHE 23 -2.244 -4.855 3.456
147 HB3 PHE 23 HB1 PHE 23 -0.923 -3.732 3.194
148 HD1 PHE 23 HD1 PHE 23 -0.857 -2.686 6.130
149 HD2 PHE 23 HD2 PHE 23 -0.967 -6.586 4.415
150 HE1 PHE 23 HE1 PHE 23 0.239 -3.596 8.134
151 HE2 PHE 23 HE2 PHE 23 0.127 -7.497 6.420
152 HZ PHE 23 HZ PHE 23 0.731 -6.004 8.282
153 H CYS 24 HN CYS 24 -2.478 -0.996 5.842
154 HA CYS 24 HA CYS 24 -0.506 0.541 4.301
155 HB2 CYS 24 HB2 CYS 24 -2.624 1.765 4.470
156 HB3 CYS 24 HB1 CYS 24 -2.614 1.565 6.215
157 H GLY 25 HN GLY 25 1.445 0.588 5.194
158 HA2 GLY 25 HA2 GLY 25 1.845 0.871 8.028
159 HA3 GLY 25 HA1 GLY 25 2.283 -0.720 7.432
160 H SER 26 HN SER 26 4.467 -0.546 7.806
161 HA SER 26 HA SER 26 5.899 1.444 6.165
162 HB2 SER 26 HB2 SER 26 6.603 0.415 8.910
163 HB3 SER 26 HB1 SER 26 7.686 1.382 7.910
164 HG SER 26 HG SER 26 6.705 2.979 8.889
165 H THR 27 HN THR 27 5.542 -1.846 7.045
166 HA THR 27 HA THR 27 8.049 -2.918 6.471
167 HB THR 27 HB THR 27 5.512 -4.397 5.870
168 HG1 THR 27 HG1 THR 27 4.950 -4.336 7.915
169 HG21 THR 27 HG21 THR 27 6.730 -6.299 6.848
170 HG22 THR 27 HG22 THR 27 8.116 -5.251 7.150
171 HG23 THR 27 HG23 THR 27 7.618 -5.600 5.494
172 H SER 28 HN SER 28 8.690 -4.264 4.639
173 HA SER 28 HA SER 28 8.331 -2.844 2.156
174 HB2 SER 28 HB2 SER 28 10.550 -3.616 2.962
175 HB3 SER 28 HB1 SER 28 10.020 -5.280 2.728
176 HG SER 28 HG SER 28 9.508 -4.176 0.469
177 H GLU 29 HN GLU 29 6.036 -3.463 2.194
178 HA GLU 29 HA GLU 29 5.547 -5.572 0.283
179 HB2 GLU 29 HB2 GLU 29 4.300 -5.612 3.044
180 HB3 GLU 29 HB1 GLU 29 3.537 -6.393 1.668
181 HG2 GLU 29 HG2 GLU 29 6.346 -7.057 2.484
182 HG3 GLU 29 HG1 GLU 29 4.955 -7.825 3.245
183 H TYR 30 HN TYR 30 4.305 -3.144 2.449
184 HA TYR 30 HA TYR 30 2.309 -2.284 0.529
185 HB2 TYR 30 HB2 TYR 30 2.332 -0.585 2.821
186 HB3 TYR 30 HB1 TYR 30 1.095 -1.739 2.352
187 HD1 TYR 30 HD1 TYR 30 3.468 -0.881 4.835
188 HD2 TYR 30 HD2 TYR 30 1.547 -4.235 3.052
189 HE1 TYR 30 HE1 TYR 30 3.962 -2.229 6.829
190 HE2 TYR 30 HE2 TYR 30 2.042 -5.587 5.040
191 HH TYR 30 HH TYR 30 3.109 -4.234 7.960
192 H CYS 31 HN CYS 31 5.237 -1.234 2.069
193 HA CYS 31 HA CYS 31 5.230 1.235 0.497
194 HB2 CYS 31 HB2 CYS 31 7.149 0.525 2.718
195 HB3 CYS 31 HB1 CYS 31 6.867 2.110 2.010
196 H SER 32 HN SER 32 5.523 -0.490 -1.263
197 HA SER 32 HA SER 32 8.063 -1.779 -1.510
198 HB2 SER 32 HB2 SER 32 5.765 -1.327 -3.392
199 HB3 SER 32 HB1 SER 32 7.258 -2.093 -3.930
200 HG SER 32 HG SER 32 5.853 -3.691 -3.257
201 H ARG 33 HN ARG 33 9.926 -0.987 -2.102
202 HA ARG 33 HA ARG 33 10.047 1.593 -3.481
203 HB2 ARG 33 HB2 ARG 33 12.483 1.555 -2.816
204 HB3 ARG 33 HB1 ARG 33 11.341 1.647 -1.488
205 HG2 ARG 33 HG2 ARG 33 11.655 -0.750 -1.057
206 HG3 ARG 33 HG1 ARG 33 12.809 -0.831 -2.389
207 HD2 ARG 33 HD2 ARG 33 14.252 0.775 -1.236
208 HD3 ARG 33 HD1 ARG 33 13.095 0.864 0.092
209 HE ARG 33 HE ARG 33 13.814 -1.816 -0.265
210 HH11 ARG 33 HH11 ARG 33 15.314 1.175 0.808
211 HH12 ARG 33 HH12 ARG 33 16.446 0.369 1.842
212 HH21 ARG 33 HH21 ARG 33 15.307 -2.847 1.095
213 HH22 ARG 33 HH22 ARG 33 16.441 -1.905 2.003
214 H ALA 34 HN ALA 34 10.737 -1.756 -3.884
215 HA ALA 34 HA ALA 34 12.133 -1.280 -6.419
216 HB1 ALA 34 HB1 ALA 34 11.890 -3.829 -4.833
217 HB2 ALA 34 HB2 ALA 34 13.278 -2.741 -4.825
218 HB3 ALA 34 HB3 ALA 34 12.843 -3.605 -6.300
219 H ASN 35 HN ASN 35 9.292 -2.716 -5.014
220 HA ASN 35 HA ASN 35 8.375 -3.737 -7.592
221 HB2 ASN 35 HB2 ASN 35 7.394 -4.101 -4.769
222 HB3 ASN 35 HB1 ASN 35 6.408 -4.571 -6.148
223 HD21 ASN 35 HD21 ASN 35 7.073 -6.285 -7.446
224 HD22 ASN 35 HD22 ASN 35 8.265 -7.420 -6.922
225 H GLY 36 HN GLY 36 7.963 -1.017 -5.551
226 HA2 GLY 36 HA2 GLY 36 6.954 0.992 -6.311
227 HA3 GLY 36 HA1 GLY 36 5.928 0.047 -7.376
228 H CYS 37 HN CYS 37 6.023 1.836 -4.585
229 HA CYS 37 HA CYS 37 3.823 0.440 -3.267
230 HB2 CYS 37 HB2 CYS 37 4.152 2.444 -1.598
231 HB3 CYS 37 HB1 CYS 37 5.323 1.134 -1.634
232 H GLN 38 HN GLN 38 2.129 2.228 -2.255
233 HA GLN 38 HA GLN 38 1.130 3.601 -4.662
234 HB2 GLN 38 HB2 GLN 38 -0.614 2.803 -2.349
235 HB3 GLN 38 HB1 GLN 38 -1.073 3.119 -4.015
236 HG2 GLN 38 HG2 GLN 38 0.690 0.806 -3.274
237 HG3 GLN 38 HG1 GLN 38 -1.068 0.697 -3.209
238 HE21 GLN 38 HE21 GLN 38 -2.262 0.777 -5.127
239 HE22 GLN 38 HE22 GLN 38 -1.531 0.500 -6.667
240 H SER 39 HN SER 39 0.527 3.949 -1.130
241 HA SER 39 HA SER 39 0.210 6.803 -1.446
242 HB2 SER 39 HB2 SER 39 -0.054 4.842 0.776
243 HB3 SER 39 HB1 SER 39 0.045 6.556 1.165
244 HG SER 39 HG SER 39 -1.748 5.641 -0.800
245 H ASN 40 HN ASN 40 1.236 7.989 0.738
246 HA ASN 40 HA ASN 40 3.859 8.614 0.056
247 HB2 ASN 40 HB2 ASN 40 2.326 9.055 2.616
248 HB3 ASN 40 HB1 ASN 40 3.939 9.707 2.349
249 HD21 ASN 40 HD21 ASN 40 0.592 9.862 1.427
250 HD22 ASN 40 HD22 ASN 40 0.685 11.365 0.581
251 H CYS 41 HN CYS 41 5.112 6.854 -0.153
252 HA CYS 41 HA CYS 41 5.792 5.318 2.254
253 HB2 CYS 41 HB2 CYS 41 6.869 3.790 0.394
254 HB3 CYS 41 HB1 CYS 41 5.131 3.735 0.677
255 H ARG 42 HN ARG 42 7.346 6.526 -0.676
256 HA ARG 42 HA ARG 42 9.891 6.773 0.744
257 HB2 ARG 42 HB2 ARG 42 9.202 6.792 -2.189
258 HB3 ARG 42 HB1 ARG 42 10.803 7.202 -1.591
259 HG2 ARG 42 HG2 ARG 42 11.048 4.989 -0.633
260 HG3 ARG 42 HG1 ARG 42 9.408 4.570 -1.129
261 HD2 ARG 42 HD2 ARG 42 11.543 5.404 -3.079
262 HD3 ARG 42 HD1 ARG 42 11.285 3.726 -2.608
263 HE ARG 42 HE ARG 42 8.834 4.768 -3.443
264 HH11 ARG 42 HH11 ARG 42 11.949 3.996 -4.868
265 HH12 ARG 42 HH12 ARG 42 11.284 3.682 -6.436
266 HH21 ARG 42 HH21 ARG 42 7.984 4.353 -5.503
267 HH22 ARG 42 HH22 ARG 42 9.040 3.885 -6.794
268 H GLY 43 HN GLY 43 7.441 8.670 -0.823
269 HA2 GLY 43 HA2 GLY 43 8.597 11.108 0.277
270 HA3 GLY 43 HA1 GLY 43 8.438 11.052 -1.471
Start of MODEL 15
1 H1 GLN 1 HT1 GLN 1 -3.811 -0.236 10.852
2 H2 GLN 1 HT2 GLN 1 -4.410 -1.791 10.569
3 H3 GLN 1 HT3 GLN 1 -5.428 -0.596 11.196
4 HA GLN 1 HA GLN 1 -4.182 -0.566 8.511
5 HB2 GLN 1 HB2 GLN 1 -6.972 -1.217 9.451
6 HB3 GLN 1 HB1 GLN 1 -6.633 -0.738 7.794
7 HG2 GLN 1 HG2 GLN 1 -5.173 -2.647 7.509
8 HG3 GLN 1 HG1 GLN 1 -5.413 -3.108 9.193
9 HE21 GLN 1 HE21 GLN 1 -7.377 -3.999 9.826
10 HE22 GLN 1 HE22 GLN 1 -8.513 -4.626 8.685
11 H ASN 2 HN ASN 2 -4.254 1.309 7.446
12 HA ASN 2 HA ASN 2 -5.724 3.553 8.666
13 HB2 ASN 2 HB2 ASN 2 -3.026 3.574 7.297
14 HB3 ASN 2 HB1 ASN 2 -3.929 5.033 7.669
15 HD21 ASN 2 HD21 ASN 2 -4.161 5.679 9.812
16 HD22 ASN 2 HD22 ASN 2 -3.165 5.048 11.074
17 H CYS 3 HN CYS 3 -4.668 2.014 5.717
18 HA CYS 3 HA CYS 3 -6.842 3.160 4.204
19 HB2 CYS 3 HB2 CYS 3 -5.467 5.003 3.871
20 HB3 CYS 3 HB1 CYS 3 -4.000 4.049 3.902
21 H GLY 4 HN GLY 4 -6.387 2.537 1.718
22 HA2 GLY 4 HA2 GLY 4 -5.101 0.714 0.475
23 HA3 GLY 4 HA1 GLY 4 -5.735 -0.337 1.725
24 H ARG 5 HN ARG 5 -6.996 -1.642 0.423
25 HA ARG 5 HA ARG 5 -9.130 -0.292 -1.078
26 HB2 ARG 5 HB2 ARG 5 -9.328 -2.366 -2.440
27 HB3 ARG 5 HB1 ARG 5 -7.734 -1.642 -2.551
28 HG2 ARG 5 HG2 ARG 5 -6.799 -3.328 -1.130
29 HG3 ARG 5 HG1 ARG 5 -8.400 -3.980 -0.771
30 HD2 ARG 5 HD2 ARG 5 -8.674 -4.594 -3.122
31 HD3 ARG 5 HD1 ARG 5 -7.079 -3.936 -3.482
32 HE ARG 5 HE ARG 5 -6.765 -5.826 -1.465
33 HH11 ARG 5 HH11 ARG 5 -7.735 -5.793 -4.841
34 HH12 ARG 5 HH12 ARG 5 -7.177 -7.407 -5.135
35 HH21 ARG 5 HH21 ARG 5 -6.042 -7.936 -1.874
36 HH22 ARG 5 HH22 ARG 5 -6.221 -8.617 -3.457
37 H GLN 6 HN GLN 6 -8.845 -1.336 1.852
38 HA GLN 6 HA GLN 6 -11.363 -2.862 1.936
39 HB2 GLN 6 HB2 GLN 6 -9.001 -2.859 3.801
40 HB3 GLN 6 HB1 GLN 6 -10.559 -3.523 4.268
41 HG2 GLN 6 HG2 GLN 6 -10.437 -5.107 2.407
42 HG3 GLN 6 HG1 GLN 6 -8.869 -4.445 1.954
43 HE21 GLN 6 HE21 GLN 6 -10.617 -6.358 4.266
44 HE22 GLN 6 HE22 GLN 6 -9.239 -7.044 5.048
45 H ALA 7 HN ALA 7 -9.719 -0.033 3.046
46 HA ALA 7 HA ALA 7 -11.762 0.660 5.002
47 HB1 ALA 7 HB1 ALA 7 -9.403 1.104 5.497
48 HB2 ALA 7 HB2 ALA 7 -10.356 2.588 5.490
49 HB3 ALA 7 HB3 ALA 7 -9.321 2.197 4.116
50 H GLY 8 HN GLY 8 -11.666 0.801 1.747
51 HA2 GLY 8 HA2 GLY 8 -13.349 1.820 0.423
52 HA3 GLY 8 HA1 GLY 8 -13.517 3.074 1.644
53 H ASN 9 HN ASN 9 -10.396 2.047 0.491
54 HA ASN 9 HA ASN 9 -8.668 3.105 -0.495
55 HB2 ASN 9 HB2 ASN 9 -10.899 4.068 -2.296
56 HB3 ASN 9 HB1 ASN 9 -9.197 4.361 -2.634
57 HD21 ASN 9 HD21 ASN 9 -11.715 1.980 -2.431
58 HD22 ASN 9 HD22 ASN 9 -10.865 0.715 -3.246
59 H ARG 10 HN ARG 10 -8.420 4.281 1.495
60 HA ARG 10 HA ARG 10 -8.997 7.155 1.310
61 HB2 ARG 10 HB2 ARG 10 -8.259 5.352 3.623
62 HB3 ARG 10 HB1 ARG 10 -8.234 7.104 3.760
63 HG2 ARG 10 HG2 ARG 10 -10.617 7.182 3.211
64 HG3 ARG 10 HG1 ARG 10 -10.640 5.423 3.082
65 HD2 ARG 10 HD2 ARG 10 -9.978 5.243 5.430
66 HD3 ARG 10 HD1 ARG 10 -9.946 7.001 5.558
67 HE ARG 10 HE ARG 10 -12.478 6.200 4.646
68 HH11 ARG 10 HH11 ARG 10 -10.555 6.058 7.582
69 HH12 ARG 10 HH12 ARG 10 -11.939 6.029 8.623
70 HH21 ARG 10 HH21 ARG 10 -14.041 6.088 7.743
71 HH22 ARG 10 HH22 ARG 10 -14.274 6.162 6.028
72 H ALA 11 HN ALA 11 -6.813 7.881 3.141
73 HA ALA 11 HA ALA 11 -4.420 7.201 1.591
74 HB1 ALA 11 HB1 ALA 11 -5.203 10.026 2.302
75 HB2 ALA 11 HB2 ALA 11 -5.255 9.318 0.687
76 HB3 ALA 11 HB3 ALA 11 -3.709 9.529 1.508
77 H CYS 12 HN CYS 12 -2.526 7.109 2.748
78 HA CYS 12 HA CYS 12 -2.805 7.022 5.638
79 HB2 CYS 12 HB2 CYS 12 -0.563 6.328 3.756
80 HB3 CYS 12 HB1 CYS 12 -0.413 6.201 5.505
81 H ALA 13 HN ALA 13 -0.648 7.740 6.833
82 HA ALA 13 HA ALA 13 -0.534 10.614 6.589
83 HB1 ALA 13 HB1 ALA 13 -0.739 9.346 8.759
84 HB2 ALA 13 HB2 ALA 13 0.495 10.604 8.713
85 HB3 ALA 13 HB3 ALA 13 0.958 8.910 8.562
86 H ASN 14 HN ASN 14 2.114 11.019 7.589
87 HA ASN 14 HA ASN 14 3.608 10.750 5.094
88 HB2 ASN 14 HB2 ASN 14 3.206 12.892 6.590
89 HB3 ASN 14 HB1 ASN 14 4.621 12.279 7.438
90 HD21 ASN 14 HD21 ASN 14 3.407 13.595 4.459
91 HD22 ASN 14 HD22 ASN 14 4.942 13.953 3.753
92 H GLN 15 HN GLN 15 3.486 9.212 8.123
93 HA GLN 15 HA GLN 15 6.331 8.478 8.076
94 HB2 GLN 15 HB2 GLN 15 4.193 8.216 10.182
95 HB3 GLN 15 HB1 GLN 15 5.738 7.388 10.316
96 HG2 GLN 15 HG2 GLN 15 6.899 9.538 10.235
97 HG3 GLN 15 HG1 GLN 15 5.348 10.367 10.104
98 HE21 GLN 15 HE21 GLN 15 3.991 10.466 11.893
99 HE22 GLN 15 HE22 GLN 15 4.555 10.137 13.493
100 H LEU 16 HN LEU 16 3.292 7.277 7.188
101 HA LEU 16 HA LEU 16 4.429 4.630 6.674
102 HB2 LEU 16 HB2 LEU 16 2.252 3.573 7.378
103 HB3 LEU 16 HB1 LEU 16 3.196 4.235 8.693
104 HG LEU 16 HG LEU 16 0.878 5.721 7.464
105 HD11 LEU 16 HD11 LEU 16 -0.489 4.894 9.310
106 HD12 LEU 16 HD12 LEU 16 0.840 3.855 9.825
107 HD13 LEU 16 HD13 LEU 16 0.061 3.584 8.266
108 HD21 LEU 16 HD21 LEU 16 2.378 7.103 8.797
109 HD22 LEU 16 HD22 LEU 16 2.269 5.965 10.138
110 HD23 LEU 16 HD23 LEU 16 0.847 6.883 9.644
111 H CYS 17 HN CYS 17 2.390 3.369 5.403
112 HA CYS 17 HA CYS 17 1.024 5.048 3.548
113 HB2 CYS 17 HB2 CYS 17 2.365 5.006 1.696
114 HB3 CYS 17 HB1 CYS 17 3.632 4.767 2.889
115 H CYS 18 HN CYS 18 -0.389 4.013 2.182
116 HA CYS 18 HA CYS 18 -0.830 1.157 2.763
117 HB2 CYS 18 HB2 CYS 18 -3.128 1.554 1.881
118 HB3 CYS 18 HB1 CYS 18 -2.740 2.554 3.275
119 H SER 19 HN SER 19 -1.563 -0.246 1.135
120 HA SER 19 HA SER 19 -0.809 0.462 -1.624
121 HB2 SER 19 HB2 SER 19 0.061 -1.879 -1.887
122 HB3 SER 19 HB1 SER 19 0.984 -0.938 -0.714
123 HG SER 19 HG SER 19 0.542 -2.915 0.191
124 H GLN 20 HN GLN 20 -1.715 -1.384 -3.167
125 HA GLN 20 HA GLN 20 -4.558 -1.449 -2.808
126 HB2 GLN 20 HB2 GLN 20 -3.096 -1.333 -5.004
127 HB3 GLN 20 HB1 GLN 20 -3.162 -3.085 -4.899
128 HG2 GLN 20 HG2 GLN 20 -5.583 -3.026 -4.984
129 HG3 GLN 20 HG1 GLN 20 -5.559 -1.264 -4.999
130 HE21 GLN 20 HE21 GLN 20 -4.962 -4.160 -6.820
131 HE22 GLN 20 HE22 GLN 20 -4.849 -3.407 -8.371
132 H TYR 21 HN TYR 21 -4.614 -2.575 -0.791
133 HA TYR 21 HA TYR 21 -5.025 -5.403 -1.016
134 HB2 TYR 21 HB2 TYR 21 -2.589 -5.433 -0.695
135 HB3 TYR 21 HB1 TYR 21 -2.741 -4.398 0.714
136 HD1 TYR 21 HD1 TYR 21 -3.675 -5.323 2.836
137 HD2 TYR 21 HD2 TYR 21 -2.919 -7.786 -0.546
138 HE1 TYR 21 HE1 TYR 21 -3.776 -7.318 4.271
139 HE2 TYR 21 HE2 TYR 21 -3.026 -9.789 0.875
140 HH TYR 21 HH TYR 21 -2.739 -10.381 3.244
141 H GLY 22 HN GLY 22 -4.377 -2.828 1.282
142 HA2 GLY 22 HA2 GLY 22 -6.432 -2.000 2.512
143 HA3 GLY 22 HA1 GLY 22 -6.688 -3.689 2.903
144 H PHE 23 HN PHE 23 -3.432 -2.579 2.746
145 HA PHE 23 HA PHE 23 -3.309 -2.415 5.670
146 HB2 PHE 23 HB2 PHE 23 -2.446 -4.601 4.483
147 HB3 PHE 23 HB1 PHE 23 -1.032 -3.616 4.163
148 HD1 PHE 23 HD1 PHE 23 -2.202 -6.035 6.234
149 HD2 PHE 23 HD2 PHE 23 -0.334 -2.212 6.485
150 HE1 PHE 23 HE1 PHE 23 -1.352 -6.597 8.470
151 HE2 PHE 23 HE2 PHE 23 0.516 -2.775 8.722
152 HZ PHE 23 HZ PHE 23 0.009 -4.969 9.716
153 H CYS 24 HN CYS 24 -2.390 -0.640 6.403
154 HA CYS 24 HA CYS 24 -0.502 0.868 4.743
155 HB2 CYS 24 HB2 CYS 24 -2.604 1.990 5.554
156 HB3 CYS 24 HB1 CYS 24 -2.004 1.771 7.195
157 H GLY 25 HN GLY 25 1.475 1.598 5.663
158 HA2 GLY 25 HA2 GLY 25 2.391 1.424 8.226
159 HA3 GLY 25 HA1 GLY 25 2.601 -0.206 7.615
160 H SER 26 HN SER 26 4.735 -0.470 7.247
161 HA SER 26 HA SER 26 6.102 1.530 5.578
162 HB2 SER 26 HB2 SER 26 6.638 1.724 8.067
163 HB3 SER 26 HB1 SER 26 7.476 0.183 7.889
164 HG SER 26 HG SER 26 8.916 1.120 6.515
165 H THR 27 HN THR 27 5.729 -1.780 6.514
166 HA THR 27 HA THR 27 7.975 -2.996 5.382
167 HB THR 27 HB THR 27 5.239 -4.260 5.425
168 HG1 THR 27 HG1 THR 27 5.231 -3.934 7.504
169 HG21 THR 27 HG21 THR 27 6.474 -6.304 6.002
170 HG22 THR 27 HG22 THR 27 7.991 -5.409 5.927
171 HG23 THR 27 HG23 THR 27 7.031 -5.639 4.466
172 H SER 28 HN SER 28 8.032 -4.426 3.454
173 HA SER 28 HA SER 28 7.242 -2.960 1.087
174 HB2 SER 28 HB2 SER 28 9.515 -3.957 1.404
175 HB3 SER 28 HB1 SER 28 8.782 -5.555 1.289
176 HG SER 28 HG SER 28 8.769 -3.537 -0.711
177 H GLU 29 HN GLU 29 4.984 -3.648 2.107
178 HA GLU 29 HA GLU 29 3.834 -5.542 0.222
179 HB2 GLU 29 HB2 GLU 29 3.478 -5.752 3.227
180 HB3 GLU 29 HB1 GLU 29 2.360 -6.482 2.084
181 HG2 GLU 29 HG2 GLU 29 5.288 -7.117 2.014
182 HG3 GLU 29 HG1 GLU 29 4.191 -7.951 3.115
183 H TYR 30 HN TYR 30 3.507 -3.188 2.747
184 HA TYR 30 HA TYR 30 0.972 -2.182 1.732
185 HB2 TYR 30 HB2 TYR 30 2.161 -0.597 3.852
186 HB3 TYR 30 HB1 TYR 30 0.595 -1.384 3.803
187 HD1 TYR 30 HD1 TYR 30 1.104 -4.220 3.920
188 HD2 TYR 30 HD2 TYR 30 3.273 -1.072 5.787
189 HE1 TYR 30 HE1 TYR 30 1.828 -5.771 5.682
190 HE2 TYR 30 HE2 TYR 30 4.001 -2.614 7.551
191 HH TYR 30 HH TYR 30 3.271 -4.732 8.567
192 H CYS 31 HN CYS 31 4.346 -1.535 1.814
193 HA CYS 31 HA CYS 31 3.971 0.920 0.250
194 HB2 CYS 31 HB2 CYS 31 6.125 0.213 2.240
195 HB3 CYS 31 HB1 CYS 31 6.342 1.485 1.048
196 H SER 32 HN SER 32 3.745 -0.452 -1.561
197 HA SER 32 HA SER 32 5.842 -2.190 -2.420
198 HB2 SER 32 HB2 SER 32 3.231 -1.260 -3.467
199 HB3 SER 32 HB1 SER 32 4.394 -1.849 -4.653
200 HG SER 32 HG SER 32 2.820 -3.292 -3.161
201 H ARG 33 HN ARG 33 7.763 -1.397 -2.927
202 HA ARG 33 HA ARG 33 8.047 1.130 -4.335
203 HB2 ARG 33 HB2 ARG 33 9.526 0.184 -2.357
204 HB3 ARG 33 HB1 ARG 33 10.336 -0.708 -3.626
205 HG2 ARG 33 HG2 ARG 33 10.110 2.300 -3.679
206 HG3 ARG 33 HG1 ARG 33 11.417 1.461 -2.847
207 HD2 ARG 33 HD2 ARG 33 12.053 0.375 -4.952
208 HD3 ARG 33 HD1 ARG 33 10.758 1.233 -5.786
209 HE ARG 33 HE ARG 33 12.258 3.191 -4.588
210 HH11 ARG 33 HH11 ARG 33 12.930 0.654 -6.922
211 HH12 ARG 33 HH12 ARG 33 14.199 1.544 -7.695
212 HH21 ARG 33 HH21 ARG 33 13.923 4.337 -5.615
213 HH22 ARG 33 HH22 ARG 33 14.759 3.627 -6.955
214 H ALA 34 HN ALA 34 8.202 -2.267 -4.918
215 HA ALA 34 HA ALA 34 9.137 -1.842 -7.673
216 HB1 ALA 34 HB1 ALA 34 10.497 -3.392 -6.353
217 HB2 ALA 34 HB2 ALA 34 9.716 -4.205 -7.709
218 HB3 ALA 34 HB3 ALA 34 9.075 -4.399 -6.077
219 H ASN 35 HN ASN 35 6.440 -2.756 -5.755
220 HA ASN 35 HA ASN 35 5.027 -3.874 -8.061
221 HB2 ASN 35 HB2 ASN 35 4.499 -4.027 -5.101
222 HB3 ASN 35 HB1 ASN 35 3.265 -4.462 -6.279
223 HD21 ASN 35 HD21 ASN 35 6.337 -5.290 -4.896
224 HD22 ASN 35 HD22 ASN 35 6.424 -6.892 -5.538
225 H GLY 36 HN GLY 36 5.191 -1.029 -6.125
226 HA2 GLY 36 HA2 GLY 36 4.251 0.988 -7.128
227 HA3 GLY 36 HA1 GLY 36 2.843 0.036 -7.564
228 H CYS 37 HN CYS 37 4.049 2.272 -5.435
229 HA CYS 37 HA CYS 37 2.591 1.556 -3.058
230 HB2 CYS 37 HB2 CYS 37 4.000 4.076 -3.939
231 HB3 CYS 37 HB1 CYS 37 3.206 3.913 -2.381
232 H GLN 38 HN GLN 38 0.755 2.636 -2.201
233 HA GLN 38 HA GLN 38 -0.891 3.974 -4.237
234 HB2 GLN 38 HB2 GLN 38 -1.668 2.634 -1.638
235 HB3 GLN 38 HB1 GLN 38 -2.795 3.503 -2.670
236 HG2 GLN 38 HG2 GLN 38 -1.155 1.259 -3.770
237 HG3 GLN 38 HG1 GLN 38 -2.622 0.930 -2.849
238 HE21 GLN 38 HE21 GLN 38 -1.309 2.261 -5.777
239 HE22 GLN 38 HE22 GLN 38 -2.799 2.363 -6.644
240 H SER 39 HN SER 39 -0.115 4.228 -0.749
241 HA SER 39 HA SER 39 -0.781 7.058 -0.802
242 HB2 SER 39 HB2 SER 39 -1.514 5.411 1.022
243 HB3 SER 39 HB1 SER 39 0.156 5.478 1.574
244 HG SER 39 HG SER 39 -0.115 7.489 2.239
245 H ASN 40 HN ASN 40 0.875 7.931 1.239
246 HA ASN 40 HA ASN 40 3.232 8.645 -0.202
247 HB2 ASN 40 HB2 ASN 40 1.736 9.934 1.539
248 HB3 ASN 40 HB1 ASN 40 2.835 9.205 2.704
249 HD21 ASN 40 HD21 ASN 40 2.520 11.463 0.080
250 HD22 ASN 40 HD22 ASN 40 4.037 12.258 0.308
251 H CYS 41 HN CYS 41 4.305 6.605 -0.468
252 HA CYS 41 HA CYS 41 5.357 5.375 1.946
253 HB2 CYS 41 HB2 CYS 41 6.032 3.508 0.624
254 HB3 CYS 41 HB1 CYS 41 4.431 3.958 0.070
255 H ARG 42 HN ARG 42 6.884 6.228 -1.121
256 HA ARG 42 HA ARG 42 9.133 7.396 0.368
257 HB2 ARG 42 HB2 ARG 42 9.324 5.539 -2.008
258 HB3 ARG 42 HB1 ARG 42 10.675 6.472 -1.384
259 HG2 ARG 42 HG2 ARG 42 11.062 4.493 -0.325
260 HG3 ARG 42 HG1 ARG 42 10.011 5.254 0.872
261 HD2 ARG 42 HD2 ARG 42 8.088 4.107 -0.397
262 HD3 ARG 42 HD1 ARG 42 9.350 3.117 -1.129
263 HE ARG 42 HE ARG 42 8.766 3.233 1.759
264 HH11 ARG 42 HH11 ARG 42 9.971 1.471 -1.033
265 HH12 ARG 42 HH12 ARG 42 10.233 0.010 -0.139
266 HH21 ARG 42 HH21 ARG 42 9.122 1.311 2.905
267 HH22 ARG 42 HH22 ARG 42 9.753 -0.079 2.087
268 H GLY 43 HN GLY 43 7.128 7.411 -2.462
269 HA2 GLY 43 HA2 GLY 43 6.509 9.480 -3.510
270 HA3 GLY 43 HA1 GLY 43 8.097 10.114 -3.107
Start of MODEL 16
1 H1 GLN 1 HT1 GLN 1 -4.241 -2.212 10.258
2 H2 GLN 1 HT2 GLN 1 -5.436 -1.077 10.638
3 H3 GLN 1 HT3 GLN 1 -3.801 -0.670 10.800
4 HA GLN 1 HA GLN 1 -3.472 -0.842 8.434
5 HB2 GLN 1 HB2 GLN 1 -6.413 -1.542 8.453
6 HB3 GLN 1 HB1 GLN 1 -5.561 -1.028 7.005
7 HG2 GLN 1 HG2 GLN 1 -5.506 -3.318 6.806
8 HG3 GLN 1 HG1 GLN 1 -3.950 -2.984 7.565
9 HE21 GLN 1 HE21 GLN 1 -3.613 -3.575 9.702
10 HE22 GLN 1 HE22 GLN 1 -4.664 -4.661 10.539
11 H ASN 2 HN ASN 2 -3.467 1.067 7.328
12 HA ASN 2 HA ASN 2 -4.979 3.269 8.552
13 HB2 ASN 2 HB2 ASN 2 -2.247 3.040 7.940
14 HB3 ASN 2 HB1 ASN 2 -2.895 4.140 6.729
15 HD21 ASN 2 HD21 ASN 2 -2.323 3.615 10.117
16 HD22 ASN 2 HD22 ASN 2 -2.588 5.246 10.621
17 H CYS 3 HN CYS 3 -4.567 1.500 5.616
18 HA CYS 3 HA CYS 3 -6.752 2.728 4.308
19 HB2 CYS 3 HB2 CYS 3 -5.532 4.611 3.734
20 HB3 CYS 3 HB1 CYS 3 -4.010 3.746 3.709
21 H GLY 4 HN GLY 4 -6.673 2.083 1.829
22 HA2 GLY 4 HA2 GLY 4 -5.315 0.264 0.520
23 HA3 GLY 4 HA1 GLY 4 -6.018 -0.762 1.752
24 H ARG 5 HN ARG 5 -7.648 -1.880 0.951
25 HA ARG 5 HA ARG 5 -9.512 -0.568 -0.905
26 HB2 ARG 5 HB2 ARG 5 -8.164 -2.333 -1.966
27 HB3 ARG 5 HB1 ARG 5 -8.716 -3.485 -0.761
28 HG2 ARG 5 HG2 ARG 5 -10.917 -3.453 -1.601
29 HG3 ARG 5 HG1 ARG 5 -10.584 -2.047 -2.613
30 HD2 ARG 5 HD2 ARG 5 -9.019 -3.387 -3.946
31 HD3 ARG 5 HD1 ARG 5 -9.364 -4.789 -2.933
32 HE ARG 5 HE ARG 5 -11.790 -3.873 -3.944
33 HH11 ARG 5 HH11 ARG 5 -8.836 -5.287 -5.215
34 HH12 ARG 5 HH12 ARG 5 -9.633 -6.017 -6.569
35 HH21 ARG 5 HH21 ARG 5 -12.811 -4.838 -5.722
36 HH22 ARG 5 HH22 ARG 5 -11.882 -5.762 -6.855
37 H GLN 6 HN GLN 6 -9.112 -2.175 2.057
38 HA GLN 6 HA GLN 6 -11.923 -2.910 2.351
39 HB2 GLN 6 HB2 GLN 6 -9.498 -3.455 4.053
40 HB3 GLN 6 HB1 GLN 6 -11.129 -3.858 4.567
41 HG2 GLN 6 HG2 GLN 6 -11.372 -5.313 2.607
42 HG3 GLN 6 HG1 GLN 6 -9.720 -4.927 2.131
43 HE21 GLN 6 HE21 GLN 6 -8.004 -5.753 3.325
44 HE22 GLN 6 HE22 GLN 6 -8.200 -7.067 4.430
45 H ALA 7 HN ALA 7 -9.705 -0.474 3.376
46 HA ALA 7 HA ALA 7 -11.339 0.449 5.592
47 HB1 ALA 7 HB1 ALA 7 -8.854 1.654 4.374
48 HB2 ALA 7 HB2 ALA 7 -8.893 0.532 5.734
49 HB3 ALA 7 HB3 ALA 7 -9.607 2.137 5.894
50 H GLY 8 HN GLY 8 -12.170 0.525 2.614
51 HA2 GLY 8 HA2 GLY 8 -13.789 1.868 1.582
52 HA3 GLY 8 HA1 GLY 8 -13.426 3.151 2.728
53 H ASN 9 HN ASN 9 -10.719 1.704 1.254
54 HA ASN 9 HA ASN 9 -9.077 2.429 -0.098
55 HB2 ASN 9 HB2 ASN 9 -11.457 3.347 -1.730
56 HB3 ASN 9 HB1 ASN 9 -9.800 3.428 -2.319
57 HD21 ASN 9 HD21 ASN 9 -8.696 1.526 -2.781
58 HD22 ASN 9 HD22 ASN 9 -9.514 0.017 -2.982
59 H ARG 10 HN ARG 10 -8.521 3.869 1.690
60 HA ARG 10 HA ARG 10 -8.956 6.727 1.182
61 HB2 ARG 10 HB2 ARG 10 -7.982 5.172 3.584
62 HB3 ARG 10 HB1 ARG 10 -7.842 6.920 3.493
63 HG2 ARG 10 HG2 ARG 10 -10.264 7.115 3.281
64 HG3 ARG 10 HG1 ARG 10 -10.413 5.357 3.346
65 HD2 ARG 10 HD2 ARG 10 -9.426 5.363 5.589
66 HD3 ARG 10 HD1 ARG 10 -9.291 7.120 5.522
67 HE ARG 10 HE ARG 10 -11.953 6.495 5.051
68 HH11 ARG 10 HH11 ARG 10 -9.677 6.143 7.703
69 HH12 ARG 10 HH12 ARG 10 -10.907 6.222 8.920
70 HH21 ARG 10 HH21 ARG 10 -13.095 6.480 8.330
71 HH22 ARG 10 HH22 ARG 10 -13.545 6.597 6.661
72 H ALA 11 HN ALA 11 -6.498 7.504 2.632
73 HA ALA 11 HA ALA 11 -4.281 6.455 1.079
74 HB1 ALA 11 HB1 ALA 11 -3.583 8.620 0.202
75 HB2 ALA 11 HB2 ALA 11 -5.023 9.374 0.887
76 HB3 ALA 11 HB3 ALA 11 -5.180 8.184 -0.406
77 H CYS 12 HN CYS 12 -2.275 6.779 2.063
78 HA CYS 12 HA CYS 12 -2.415 7.910 4.778
79 HB2 CYS 12 HB2 CYS 12 -0.303 6.103 3.575
80 HB3 CYS 12 HB1 CYS 12 -0.418 6.593 5.263
81 H ALA 13 HN ALA 13 -1.340 9.707 5.338
82 HA ALA 13 HA ALA 13 0.746 10.744 3.547
83 HB1 ALA 13 HB1 ALA 13 -0.209 12.967 3.565
84 HB2 ALA 13 HB2 ALA 13 -1.548 12.403 4.565
85 HB3 ALA 13 HB3 ALA 13 -1.366 11.803 2.917
86 H ASN 14 HN ASN 14 0.162 9.799 6.603
87 HA ASN 14 HA ASN 14 1.427 12.007 7.993
88 HB2 ASN 14 HB2 ASN 14 0.359 9.357 8.949
89 HB3 ASN 14 HB1 ASN 14 1.190 10.489 10.011
90 HD21 ASN 14 HD21 ASN 14 -1.673 9.874 8.146
91 HD22 ASN 14 HD22 ASN 14 -2.639 11.129 8.836
92 H GLN 15 HN GLN 15 2.130 8.546 7.999
93 HA GLN 15 HA GLN 15 4.944 9.007 7.437
94 HB2 GLN 15 HB2 GLN 15 4.312 8.945 10.047
95 HB3 GLN 15 HB1 GLN 15 4.418 7.216 9.761
96 HG2 GLN 15 HG2 GLN 15 6.642 9.076 8.985
97 HG3 GLN 15 HG1 GLN 15 6.497 8.431 10.618
98 HE21 GLN 15 HE21 GLN 15 7.215 7.721 7.306
99 HE22 GLN 15 HE22 GLN 15 7.844 6.133 7.564
100 H LEU 16 HN LEU 16 2.365 6.770 8.144
101 HA LEU 16 HA LEU 16 3.443 4.379 7.190
102 HB2 LEU 16 HB2 LEU 16 0.667 5.443 7.554
103 HB3 LEU 16 HB1 LEU 16 0.928 3.864 6.842
104 HG LEU 16 HG LEU 16 2.271 3.345 8.932
105 HD11 LEU 16 HD11 LEU 16 2.491 5.603 9.814
106 HD12 LEU 16 HD12 LEU 16 1.631 4.576 10.960
107 HD13 LEU 16 HD13 LEU 16 0.738 5.724 9.963
108 HD21 LEU 16 HD21 LEU 16 -0.007 2.480 8.356
109 HD22 LEU 16 HD22 LEU 16 -0.667 3.781 9.350
110 HD23 LEU 16 HD23 LEU 16 0.354 2.545 10.082
111 H CYS 17 HN CYS 17 2.299 3.129 5.364
112 HA CYS 17 HA CYS 17 1.690 4.781 3.073
113 HB2 CYS 17 HB2 CYS 17 3.481 2.782 2.079
114 HB3 CYS 17 HB1 CYS 17 3.542 4.527 1.893
115 H CYS 18 HN CYS 18 0.179 4.171 1.986
116 HA CYS 18 HA CYS 18 -1.069 1.588 2.363
117 HB2 CYS 18 HB2 CYS 18 -2.303 3.719 2.521
118 HB3 CYS 18 HB1 CYS 18 -1.947 4.029 0.832
119 H SER 19 HN SER 19 -1.739 0.240 0.750
120 HA SER 19 HA SER 19 -0.869 0.705 -1.998
121 HB2 SER 19 HB2 SER 19 -0.063 -1.678 -2.168
122 HB3 SER 19 HB1 SER 19 0.933 -0.675 -1.113
123 HG SER 19 HG SER 19 0.350 -2.778 -0.255
124 H GLN 20 HN GLN 20 -1.948 -0.847 -3.543
125 HA GLN 20 HA GLN 20 -4.743 -0.988 -2.971
126 HB2 GLN 20 HB2 GLN 20 -3.081 -1.923 -5.309
127 HB3 GLN 20 HB1 GLN 20 -4.817 -2.188 -5.232
128 HG2 GLN 20 HG2 GLN 20 -5.179 0.224 -5.091
129 HG3 GLN 20 HG1 GLN 20 -3.438 0.489 -5.167
130 HE21 GLN 20 HE21 GLN 20 -6.279 -0.449 -6.930
131 HE22 GLN 20 HE22 GLN 20 -5.589 -0.330 -8.510
132 H TYR 21 HN TYR 21 -4.781 -2.301 -1.109
133 HA TYR 21 HA TYR 21 -5.171 -5.097 -1.619
134 HB2 TYR 21 HB2 TYR 21 -2.827 -5.329 -1.277
135 HB3 TYR 21 HB1 TYR 21 -2.823 -4.162 0.034
136 HD1 TYR 21 HD1 TYR 21 -3.687 -7.622 -0.891
137 HD2 TYR 21 HD2 TYR 21 -3.241 -4.841 2.293
138 HE1 TYR 21 HE1 TYR 21 -3.808 -9.470 0.725
139 HE2 TYR 21 HE2 TYR 21 -3.360 -6.683 3.922
140 HH TYR 21 HH TYR 21 -3.105 -9.946 3.033
141 H GLY 22 HN GLY 22 -4.482 -2.945 1.081
142 HA2 GLY 22 HA2 GLY 22 -6.779 -2.333 2.238
143 HA3 GLY 22 HA1 GLY 22 -6.712 -4.041 2.616
144 H PHE 23 HN PHE 23 -3.610 -2.744 2.437
145 HA PHE 23 HA PHE 23 -3.556 -2.212 5.315
146 HB2 PHE 23 HB2 PHE 23 -2.632 -4.532 4.386
147 HB3 PHE 23 HB1 PHE 23 -1.196 -3.556 4.126
148 HD1 PHE 23 HD1 PHE 23 -0.359 -2.184 6.200
149 HD2 PHE 23 HD2 PHE 23 -2.985 -5.529 6.426
150 HE1 PHE 23 HE1 PHE 23 0.257 -2.507 8.560
151 HE2 PHE 23 HE2 PHE 23 -2.375 -5.852 8.785
152 HZ PHE 23 HZ PHE 23 -0.752 -4.342 9.855
153 H CYS 24 HN CYS 24 -2.115 -0.758 6.067
154 HA CYS 24 HA CYS 24 -0.288 0.625 4.242
155 HB2 CYS 24 HB2 CYS 24 -2.286 2.006 4.306
156 HB3 CYS 24 HB1 CYS 24 -2.335 1.915 6.058
157 H GLY 25 HN GLY 25 1.666 1.159 5.216
158 HA2 GLY 25 HA2 GLY 25 2.081 1.509 7.959
159 HA3 GLY 25 HA1 GLY 25 2.371 -0.178 7.598
160 H SER 26 HN SER 26 4.452 -0.597 7.432
161 HA SER 26 HA SER 26 6.190 1.257 5.950
162 HB2 SER 26 HB2 SER 26 6.746 0.017 8.642
163 HB3 SER 26 HB1 SER 26 7.991 0.761 7.640
164 HG SER 26 HG SER 26 6.077 2.516 7.746
165 H THR 27 HN THR 27 5.256 -1.961 6.651
166 HA THR 27 HA THR 27 7.597 -3.358 5.877
167 HB THR 27 HB THR 27 4.841 -4.513 5.587
168 HG1 THR 27 HG1 THR 27 4.506 -3.978 7.605
169 HG21 THR 27 HG21 THR 27 5.923 -6.544 6.452
170 HG22 THR 27 HG22 THR 27 7.447 -5.670 6.597
171 HG23 THR 27 HG23 THR 27 6.742 -5.955 5.006
172 H SER 28 HN SER 28 7.722 -4.829 3.976
173 HA SER 28 HA SER 28 7.365 -3.319 1.547
174 HB2 SER 28 HB2 SER 28 8.659 -5.962 2.172
175 HB3 SER 28 HB1 SER 28 8.609 -5.268 0.552
176 HG SER 28 HG SER 28 9.603 -3.355 1.616
177 H GLU 29 HN GLU 29 4.867 -4.024 2.516
178 HA GLU 29 HA GLU 29 3.881 -5.781 0.398
179 HB2 GLU 29 HB2 GLU 29 3.916 -6.977 2.610
180 HB3 GLU 29 HB1 GLU 29 2.856 -5.734 3.253
181 HG2 GLU 29 HG2 GLU 29 1.370 -7.388 2.759
182 HG3 GLU 29 HG1 GLU 29 1.313 -6.420 1.288
183 H TYR 30 HN TYR 30 3.251 -3.368 2.821
184 HA TYR 30 HA TYR 30 1.098 -2.162 1.260
185 HB2 TYR 30 HB2 TYR 30 1.441 -0.726 3.651
186 HB3 TYR 30 HB1 TYR 30 0.140 -1.842 3.268
187 HD1 TYR 30 HD1 TYR 30 0.797 -4.437 3.701
188 HD2 TYR 30 HD2 TYR 30 2.670 -1.098 5.564
189 HE1 TYR 30 HE1 TYR 30 1.484 -5.873 5.571
190 HE2 TYR 30 HE2 TYR 30 3.363 -2.530 7.435
191 HH TYR 30 HH TYR 30 3.207 -5.916 7.318
192 H CYS 31 HN CYS 31 4.266 -1.684 2.538
193 HA CYS 31 HA CYS 31 4.528 0.825 1.054
194 HB2 CYS 31 HB2 CYS 31 4.505 1.032 3.613
195 HB3 CYS 31 HB1 CYS 31 6.060 0.209 3.579
196 H SER 32 HN SER 32 5.298 -0.235 -0.740
197 HA SER 32 HA SER 32 7.544 -2.040 -0.561
198 HB2 SER 32 HB2 SER 32 5.893 -0.933 -2.799
199 HB3 SER 32 HB1 SER 32 7.406 -1.768 -3.142
200 HG SER 32 HG SER 32 5.492 -2.940 -1.445
201 H ARG 33 HN ARG 33 9.616 -1.611 -0.724
202 HA ARG 33 HA ARG 33 10.477 1.125 -1.332
203 HB2 ARG 33 HB2 ARG 33 11.883 -1.159 0.066
204 HB3 ARG 33 HB1 ARG 33 12.667 0.362 -0.328
205 HG2 ARG 33 HG2 ARG 33 10.158 0.389 1.290
206 HG3 ARG 33 HG1 ARG 33 11.685 -0.046 2.056
207 HD2 ARG 33 HD2 ARG 33 12.658 2.076 1.300
208 HD3 ARG 33 HD1 ARG 33 11.121 2.509 0.551
209 HE ARG 33 HE ARG 33 10.378 2.089 3.081
210 HH11 ARG 33 HH11 ARG 33 13.059 3.964 1.804
211 HH12 ARG 33 HH12 ARG 33 13.057 5.081 3.127
212 HH21 ARG 33 HH21 ARG 33 10.395 3.563 4.803
213 HH22 ARG 33 HH22 ARG 33 11.550 4.853 4.823
214 H ALA 34 HN ALA 34 10.593 -2.113 -2.490
215 HA ALA 34 HA ALA 34 12.364 -1.301 -4.697
216 HB1 ALA 34 HB1 ALA 34 13.469 -2.914 -3.222
217 HB2 ALA 34 HB2 ALA 34 13.187 -3.587 -4.829
218 HB3 ALA 34 HB3 ALA 34 12.146 -4.051 -3.483
219 H ASN 35 HN ASN 35 9.368 -2.696 -3.745
220 HA ASN 35 HA ASN 35 8.767 -3.712 -6.413
221 HB2 ASN 35 HB2 ASN 35 7.318 -3.883 -3.774
222 HB3 ASN 35 HB1 ASN 35 6.554 -4.364 -5.285
223 HD21 ASN 35 HD21 ASN 35 7.311 -6.176 -6.377
224 HD22 ASN 35 HD22 ASN 35 8.319 -7.353 -5.612
225 H GLY 36 HN GLY 36 8.322 -0.863 -4.588
226 HA2 GLY 36 HA2 GLY 36 7.583 1.166 -5.564
227 HA3 GLY 36 HA1 GLY 36 6.622 0.241 -6.704
228 H CYS 37 HN CYS 37 6.631 1.996 -3.804
229 HA CYS 37 HA CYS 37 4.136 0.916 -2.784
230 HB2 CYS 37 HB2 CYS 37 4.452 2.983 -1.175
231 HB3 CYS 37 HB1 CYS 37 5.479 1.566 -0.996
232 H GLN 38 HN GLN 38 2.335 2.561 -2.212
233 HA GLN 38 HA GLN 38 1.866 4.170 -4.635
234 HB2 GLN 38 HB2 GLN 38 -0.307 3.248 -2.769
235 HB3 GLN 38 HB1 GLN 38 -0.442 3.740 -4.450
236 HG2 GLN 38 HG2 GLN 38 1.072 1.283 -3.624
237 HG3 GLN 38 HG1 GLN 38 -0.664 1.263 -3.919
238 HE21 GLN 38 HE21 GLN 38 -1.440 1.563 -6.015
239 HE22 GLN 38 HE22 GLN 38 -0.422 1.398 -7.401
240 H SER 39 HN SER 39 0.661 4.251 -1.246
241 HA SER 39 HA SER 39 0.178 7.038 -1.282
242 HB2 SER 39 HB2 SER 39 0.130 4.842 0.702
243 HB3 SER 39 HB1 SER 39 0.192 6.485 1.335
244 HG SER 39 HG SER 39 -1.948 5.967 1.079
245 H ASN 40 HN ASN 40 1.100 8.271 0.844
246 HA ASN 40 HA ASN 40 3.657 9.150 0.178
247 HB2 ASN 40 HB2 ASN 40 1.774 10.252 1.594
248 HB3 ASN 40 HB1 ASN 40 2.559 9.458 2.956
249 HD21 ASN 40 HD21 ASN 40 4.598 10.131 3.600
250 HD22 ASN 40 HD22 ASN 40 5.284 11.630 3.080
251 H CYS 41 HN CYS 41 5.076 7.487 0.007
252 HA CYS 41 HA CYS 41 5.952 6.188 2.510
253 HB2 CYS 41 HB2 CYS 41 6.889 4.413 0.978
254 HB3 CYS 41 HB1 CYS 41 5.137 4.531 0.950
255 H ARG 42 HN ARG 42 8.223 5.798 2.762
256 HA ARG 42 HA ARG 42 10.430 6.299 2.797
257 HB2 ARG 42 HB2 ARG 42 9.931 7.152 -0.056
258 HB3 ARG 42 HB1 ARG 42 11.526 7.125 0.682
259 HG2 ARG 42 HG2 ARG 42 11.494 4.778 0.911
260 HG3 ARG 42 HG1 ARG 42 9.764 4.693 0.577
261 HD2 ARG 42 HD2 ARG 42 11.803 5.646 -1.427
262 HD3 ARG 42 HD1 ARG 42 11.271 3.969 -1.305
263 HE ARG 42 HE ARG 42 9.016 5.627 -1.551
264 HH11 ARG 42 HH11 ARG 42 11.709 4.507 -3.509
265 HH12 ARG 42 HH12 ARG 42 10.834 4.649 -4.997
266 HH21 ARG 42 HH21 ARG 42 7.891 5.805 -3.510
267 HH22 ARG 42 HH22 ARG 42 8.675 5.384 -4.996
268 H GLY 43 HN GLY 43 8.150 8.776 2.315
269 HA2 GLY 43 HA2 GLY 43 9.600 10.634 3.889
270 HA3 GLY 43 HA1 GLY 43 9.686 11.095 2.196
Start of MODEL 17
1 H1 GLN 1 HT1 GLN 1 -4.898 -1.938 10.370
2 H2 GLN 1 HT2 GLN 1 -6.145 -0.806 10.521
3 H3 GLN 1 HT3 GLN 1 -4.566 -0.387 10.958
4 HA GLN 1 HA GLN 1 -3.828 -0.587 8.689
5 HB2 GLN 1 HB2 GLN 1 -6.716 -1.340 8.227
6 HB3 GLN 1 HB1 GLN 1 -5.666 -0.792 6.929
7 HG2 GLN 1 HG2 GLN 1 -5.557 -3.095 6.757
8 HG3 GLN 1 HG1 GLN 1 -4.105 -2.700 7.676
9 HE21 GLN 1 HE21 GLN 1 -7.277 -4.115 7.786
10 HE22 GLN 1 HE22 GLN 1 -7.097 -4.902 9.313
11 H ASN 2 HN ASN 2 -3.606 1.308 7.619
12 HA ASN 2 HA ASN 2 -5.203 3.556 8.580
13 HB2 ASN 2 HB2 ASN 2 -2.450 3.253 7.523
14 HB3 ASN 2 HB1 ASN 2 -3.280 4.729 7.049
15 HD21 ASN 2 HD21 ASN 2 -3.765 6.262 8.584
16 HD22 ASN 2 HD22 ASN 2 -3.125 6.222 10.188
17 H CYS 3 HN CYS 3 -4.755 1.659 5.729
18 HA CYS 3 HA CYS 3 -6.844 2.933 4.303
19 HB2 CYS 3 HB2 CYS 3 -5.460 4.740 3.806
20 HB3 CYS 3 HB1 CYS 3 -4.021 3.743 3.741
21 H GLY 4 HN GLY 4 -6.689 2.235 1.843
22 HA2 GLY 4 HA2 GLY 4 -5.395 0.313 0.621
23 HA3 GLY 4 HA1 GLY 4 -6.202 -0.644 1.845
24 H ARG 5 HN ARG 5 -8.032 -1.546 1.238
25 HA ARG 5 HA ARG 5 -9.726 -0.171 -0.740
26 HB2 ARG 5 HB2 ARG 5 -9.213 -3.150 -0.656
27 HB3 ARG 5 HB1 ARG 5 -10.260 -2.309 -1.791
28 HG2 ARG 5 HG2 ARG 5 -8.186 -1.031 -2.508
29 HG3 ARG 5 HG1 ARG 5 -7.272 -2.241 -1.606
30 HD2 ARG 5 HD2 ARG 5 -7.297 -3.046 -3.812
31 HD3 ARG 5 HD1 ARG 5 -8.543 -3.977 -2.984
32 HE ARG 5 HE ARG 5 -9.629 -1.657 -4.223
33 HH11 ARG 5 HH11 ARG 5 -8.537 -4.915 -4.949
34 HH12 ARG 5 HH12 ARG 5 -9.543 -5.063 -6.351
35 HH21 ARG 5 HH21 ARG 5 -10.939 -1.874 -6.061
36 HH22 ARG 5 HH22 ARG 5 -10.902 -3.343 -6.978
37 H GLN 6 HN GLN 6 -9.395 -1.947 2.133
38 HA GLN 6 HA GLN 6 -12.248 -2.496 2.447
39 HB2 GLN 6 HB2 GLN 6 -9.832 -3.227 4.091
40 HB3 GLN 6 HB1 GLN 6 -11.472 -3.521 4.648
41 HG2 GLN 6 HG2 GLN 6 -11.879 -4.930 2.686
42 HG3 GLN 6 HG1 GLN 6 -10.223 -4.648 2.151
43 HE21 GLN 6 HE21 GLN 6 -8.523 -5.604 3.271
44 HE22 GLN 6 HE22 GLN 6 -8.767 -6.918 4.364
45 H ALA 7 HN ALA 7 -9.907 -0.185 3.449
46 HA ALA 7 HA ALA 7 -11.450 0.796 5.710
47 HB1 ALA 7 HB1 ALA 7 -9.003 0.754 5.822
48 HB2 ALA 7 HB2 ALA 7 -9.627 2.396 5.986
49 HB3 ALA 7 HB3 ALA 7 -8.922 1.869 4.457
50 H GLY 8 HN GLY 8 -12.221 0.950 2.685
51 HA2 GLY 8 HA2 GLY 8 -13.823 2.384 1.721
52 HA3 GLY 8 HA1 GLY 8 -13.328 3.653 2.832
53 H ASN 9 HN ASN 9 -10.750 2.016 1.354
54 HA ASN 9 HA ASN 9 -9.095 2.611 -0.049
55 HB2 ASN 9 HB2 ASN 9 -11.457 3.569 -1.682
56 HB3 ASN 9 HB1 ASN 9 -9.809 3.544 -2.300
57 HD21 ASN 9 HD21 ASN 9 -8.804 1.570 -2.691
58 HD22 ASN 9 HD22 ASN 9 -9.697 0.096 -2.813
59 H ARG 10 HN ARG 10 -8.613 4.133 1.783
60 HA ARG 10 HA ARG 10 -8.868 6.969 1.120
61 HB2 ARG 10 HB2 ARG 10 -7.948 5.461 3.569
62 HB3 ARG 10 HB1 ARG 10 -7.697 7.192 3.412
63 HG2 ARG 10 HG2 ARG 10 -10.122 7.507 3.172
64 HG3 ARG 10 HG1 ARG 10 -10.351 5.771 3.389
65 HD2 ARG 10 HD2 ARG 10 -9.351 5.910 5.611
66 HD3 ARG 10 HD1 ARG 10 -9.090 7.640 5.393
67 HE ARG 10 HE ARG 10 -11.827 6.953 5.043
68 HH11 ARG 10 HH11 ARG 10 -9.426 7.501 7.547
69 HH12 ARG 10 HH12 ARG 10 -10.602 7.957 8.735
70 HH21 ARG 10 HH21 ARG 10 -12.821 7.985 8.204
71 HH22 ARG 10 HH22 ARG 10 -13.348 7.552 6.612
72 H ALA 11 HN ALA 11 -6.346 7.680 2.527
73 HA ALA 11 HA ALA 11 -4.252 6.537 0.843
74 HB1 ALA 11 HB1 ALA 11 -5.077 8.458 -0.432
75 HB2 ALA 11 HB2 ALA 11 -3.426 8.714 0.130
76 HB3 ALA 11 HB3 ALA 11 -4.770 9.507 0.952
77 H CYS 12 HN CYS 12 -2.221 6.557 1.778
78 HA CYS 12 HA CYS 12 -2.125 7.533 4.553
79 HB2 CYS 12 HB2 CYS 12 -0.539 5.378 3.152
80 HB3 CYS 12 HB1 CYS 12 -0.188 5.940 4.783
81 H ALA 13 HN ALA 13 -1.191 9.435 4.778
82 HA ALA 13 HA ALA 13 1.394 9.944 3.500
83 HB1 ALA 13 HB1 ALA 13 -0.283 10.968 2.039
84 HB2 ALA 13 HB2 ALA 13 0.747 12.180 2.798
85 HB3 ALA 13 HB3 ALA 13 -0.888 11.911 3.401
86 H ASN 14 HN ASN 14 0.230 9.422 6.293
87 HA ASN 14 HA ASN 14 0.961 11.874 7.679
88 HB2 ASN 14 HB2 ASN 14 -0.303 9.315 8.638
89 HB3 ASN 14 HB1 ASN 14 0.197 10.599 9.732
90 HD21 ASN 14 HD21 ASN 14 -0.916 12.552 9.728
91 HD22 ASN 14 HD22 ASN 14 -2.480 12.714 9.012
92 H GLN 15 HN GLN 15 1.747 8.444 8.096
93 HA GLN 15 HA GLN 15 4.553 9.112 8.522
94 HB2 GLN 15 HB2 GLN 15 2.829 7.715 10.558
95 HB3 GLN 15 HB1 GLN 15 4.576 7.528 10.537
96 HG2 GLN 15 HG2 GLN 15 4.841 9.936 10.846
97 HG3 GLN 15 HG1 GLN 15 3.087 10.125 10.864
98 HE21 GLN 15 HE21 GLN 15 5.870 8.984 12.600
99 HE22 GLN 15 HE22 GLN 15 5.092 8.794 14.132
100 H LEU 16 HN LEU 16 2.109 6.651 8.111
101 HA LEU 16 HA LEU 16 4.139 4.779 7.124
102 HB2 LEU 16 HB2 LEU 16 2.393 3.007 7.410
103 HB3 LEU 16 HB1 LEU 16 2.861 3.787 8.902
104 HG LEU 16 HG LEU 16 0.349 4.567 7.426
105 HD11 LEU 16 HD11 LEU 16 0.778 2.354 9.418
106 HD12 LEU 16 HD12 LEU 16 0.085 2.240 7.799
107 HD13 LEU 16 HD13 LEU 16 -0.801 3.061 9.084
108 HD21 LEU 16 HD21 LEU 16 1.335 4.910 10.256
109 HD22 LEU 16 HD22 LEU 16 -0.348 5.148 9.792
110 HD23 LEU 16 HD23 LEU 16 0.908 6.167 9.096
111 H CYS 17 HN CYS 17 2.766 3.141 5.436
112 HA CYS 17 HA CYS 17 1.728 4.946 3.363
113 HB2 CYS 17 HB2 CYS 17 3.136 2.754 2.155
114 HB3 CYS 17 HB1 CYS 17 3.397 4.477 1.948
115 H CYS 18 HN CYS 18 0.253 4.220 1.978
116 HA CYS 18 HA CYS 18 -1.262 1.881 2.788
117 HB2 CYS 18 HB2 CYS 18 -2.383 4.042 2.441
118 HB3 CYS 18 HB1 CYS 18 -1.864 4.026 0.771
119 H SER 19 HN SER 19 -2.139 0.424 1.307
120 HA SER 19 HA SER 19 -0.722 0.068 -1.227
121 HB2 SER 19 HB2 SER 19 -0.210 -1.493 0.855
122 HB3 SER 19 HB1 SER 19 -1.635 -2.327 0.250
123 HG SER 19 HG SER 19 -0.476 -3.075 -1.325
124 H GLN 20 HN GLN 20 -2.021 -1.452 -2.731
125 HA GLN 20 HA GLN 20 -4.827 -0.651 -2.542
126 HB2 GLN 20 HB2 GLN 20 -3.063 -1.426 -4.833
127 HB3 GLN 20 HB1 GLN 20 -4.809 -1.537 -4.999
128 HG2 GLN 20 HG2 GLN 20 -4.932 0.869 -4.306
129 HG3 GLN 20 HG1 GLN 20 -3.174 0.918 -4.424
130 HE21 GLN 20 HE21 GLN 20 -6.163 0.643 -6.176
131 HE22 GLN 20 HE22 GLN 20 -5.508 0.947 -7.745
132 H TYR 21 HN TYR 21 -5.133 -2.298 -0.846
133 HA TYR 21 HA TYR 21 -6.641 -4.435 -1.768
134 HB2 TYR 21 HB2 TYR 21 -5.381 -6.435 -1.143
135 HB3 TYR 21 HB1 TYR 21 -4.517 -5.541 -2.379
136 HD1 TYR 21 HD1 TYR 21 -4.468 -6.750 1.058
137 HD2 TYR 21 HD2 TYR 21 -2.395 -4.412 -1.832
138 HE1 TYR 21 HE1 TYR 21 -2.423 -6.911 2.400
139 HE2 TYR 21 HE2 TYR 21 -0.343 -4.565 -0.488
140 HH TYR 21 HH TYR 21 0.010 -6.741 2.085
141 H GLY 22 HN GLY 22 -5.013 -2.819 0.798
142 HA2 GLY 22 HA2 GLY 22 -6.665 -2.331 2.661
143 HA3 GLY 22 HA1 GLY 22 -6.853 -4.066 2.745
144 H PHE 23 HN PHE 23 -3.781 -2.318 2.309
145 HA PHE 23 HA PHE 23 -3.090 -2.883 5.079
146 HB2 PHE 23 HB2 PHE 23 -2.355 -4.759 3.333
147 HB3 PHE 23 HB1 PHE 23 -1.002 -3.661 3.115
148 HD1 PHE 23 HD1 PHE 23 -1.079 -6.548 4.220
149 HD2 PHE 23 HD2 PHE 23 -0.950 -2.729 6.102
150 HE1 PHE 23 HE1 PHE 23 -0.003 -7.555 6.188
151 HE2 PHE 23 HE2 PHE 23 0.126 -3.734 8.072
152 HZ PHE 23 HZ PHE 23 0.602 -6.148 8.115
153 H CYS 24 HN CYS 24 -2.429 -1.036 5.884
154 HA CYS 24 HA CYS 24 -0.464 0.545 4.380
155 HB2 CYS 24 HB2 CYS 24 -2.588 1.764 4.601
156 HB3 CYS 24 HB1 CYS 24 -2.543 1.534 6.341
157 H GLY 25 HN GLY 25 1.482 0.670 5.299
158 HA2 GLY 25 HA2 GLY 25 1.895 0.831 8.123
159 HA3 GLY 25 HA1 GLY 25 2.302 -0.759 7.501
160 H SER 26 HN SER 26 4.473 -0.792 7.649
161 HA SER 26 HA SER 26 5.965 1.240 6.125
162 HB2 SER 26 HB2 SER 26 6.644 0.146 8.851
163 HB3 SER 26 HB1 SER 26 7.772 1.065 7.856
164 HG SER 26 HG SER 26 6.583 2.857 8.128
165 H THR 27 HN THR 27 5.517 -2.052 6.967
166 HA THR 27 HA THR 27 7.977 -3.202 6.343
167 HB THR 27 HB THR 27 5.381 -4.586 5.758
168 HG1 THR 27 HG1 THR 27 4.839 -4.000 7.734
169 HG21 THR 27 HG21 THR 27 7.968 -5.545 6.998
170 HG22 THR 27 HG22 THR 27 7.444 -5.855 5.343
171 HG23 THR 27 HG23 THR 27 6.543 -6.540 6.695
172 H SER 28 HN SER 28 8.517 -4.581 4.478
173 HA SER 28 HA SER 28 8.245 -3.102 2.028
174 HB2 SER 28 HB2 SER 28 9.745 -5.641 2.665
175 HB3 SER 28 HB1 SER 28 9.848 -4.765 1.138
176 HG SER 28 HG SER 28 10.257 -3.169 3.317
177 H GLU 29 HN GLU 29 5.876 -3.539 2.103
178 HA GLU 29 HA GLU 29 5.212 -5.529 0.115
179 HB2 GLU 29 HB2 GLU 29 4.003 -5.595 2.890
180 HB3 GLU 29 HB1 GLU 29 3.170 -6.266 1.498
181 HG2 GLU 29 HG2 GLU 29 5.934 -7.152 2.249
182 HG3 GLU 29 HG1 GLU 29 4.499 -7.856 2.992
183 H TYR 30 HN TYR 30 4.193 -3.098 2.377
184 HA TYR 30 HA TYR 30 2.212 -2.024 0.529
185 HB2 TYR 30 HB2 TYR 30 2.307 -0.490 2.918
186 HB3 TYR 30 HB1 TYR 30 1.041 -1.586 2.401
187 HD1 TYR 30 HD1 TYR 30 1.445 -4.131 2.958
188 HD2 TYR 30 HD2 TYR 30 3.431 -0.911 4.910
189 HE1 TYR 30 HE1 TYR 30 1.911 -5.591 4.877
190 HE2 TYR 30 HE2 TYR 30 3.896 -2.367 6.833
191 HH TYR 30 HH TYR 30 3.008 -4.411 7.860
192 H CYS 31 HN CYS 31 5.231 -1.288 2.075
193 HA CYS 31 HA CYS 31 5.398 1.257 0.611
194 HB2 CYS 31 HB2 CYS 31 7.130 0.434 2.949
195 HB3 CYS 31 HB1 CYS 31 6.969 2.037 2.252
196 H SER 32 HN SER 32 5.780 -0.480 -1.152
197 HA SER 32 HA SER 32 8.526 -1.490 -1.146
198 HB2 SER 32 HB2 SER 32 6.511 -2.892 -1.852
199 HB3 SER 32 HB1 SER 32 6.492 -1.923 -3.327
200 HG SER 32 HG SER 32 8.564 -3.603 -2.372
201 H ARG 33 HN ARG 33 10.133 -0.490 -2.079
202 HA ARG 33 HA ARG 33 9.618 1.739 -3.901
203 HB2 ARG 33 HB2 ARG 33 11.135 1.872 -1.807
204 HB3 ARG 33 HB1 ARG 33 12.303 0.968 -2.755
205 HG2 ARG 33 HG2 ARG 33 12.992 3.156 -3.050
206 HG3 ARG 33 HG1 ARG 33 12.016 2.873 -4.492
207 HD2 ARG 33 HD2 ARG 33 10.114 3.985 -3.424
208 HD3 ARG 33 HD1 ARG 33 11.077 4.247 -1.971
209 HE ARG 33 HE ARG 33 12.434 5.365 -4.152
210 HH11 ARG 33 HH11 ARG 33 9.515 5.951 -2.290
211 HH12 ARG 33 HH12 ARG 33 9.523 7.656 -2.598
212 HH21 ARG 33 HH21 ARG 33 12.425 7.599 -4.540
213 HH22 ARG 33 HH22 ARG 33 11.171 8.587 -3.870
214 H ALA 34 HN ALA 34 10.770 -1.492 -3.870
215 HA ALA 34 HA ALA 34 12.126 -1.279 -6.439
216 HB1 ALA 34 HB1 ALA 34 12.771 -3.598 -6.091
217 HB2 ALA 34 HB2 ALA 34 11.748 -3.679 -4.658
218 HB3 ALA 34 HB3 ALA 34 13.162 -2.624 -4.674
219 H ASN 35 HN ASN 35 9.164 -2.454 -5.062
220 HA ASN 35 HA ASN 35 8.339 -3.666 -7.590
221 HB2 ASN 35 HB2 ASN 35 7.157 -3.783 -4.819
222 HB3 ASN 35 HB1 ASN 35 6.324 -4.417 -6.234
223 HD21 ASN 35 HD21 ASN 35 7.131 -6.243 -7.267
224 HD22 ASN 35 HD22 ASN 35 8.276 -7.293 -6.512
225 H GLY 36 HN GLY 36 7.517 -1.070 -5.389
226 HA2 GLY 36 HA2 GLY 36 6.738 0.980 -6.590
227 HA3 GLY 36 HA1 GLY 36 5.565 -0.072 -7.364
228 H CYS 37 HN CYS 37 5.962 2.166 -5.019
229 HA CYS 37 HA CYS 37 4.258 1.147 -2.942
230 HB2 CYS 37 HB2 CYS 37 5.271 3.914 -3.610
231 HB3 CYS 37 HB1 CYS 37 4.275 3.566 -2.205
232 H GLN 38 HN GLN 38 2.153 2.263 -2.337
233 HA GLN 38 HA GLN 38 0.672 2.889 -4.802
234 HB2 GLN 38 HB2 GLN 38 -0.470 1.974 -2.154
235 HB3 GLN 38 HB1 GLN 38 -1.348 2.166 -3.662
236 HG2 GLN 38 HG2 GLN 38 0.892 0.183 -3.238
237 HG3 GLN 38 HG1 GLN 38 -0.819 -0.203 -3.102
238 HE21 GLN 38 HE21 GLN 38 1.762 0.639 -5.273
239 HE22 GLN 38 HE22 GLN 38 0.961 0.169 -6.731
240 H SER 39 HN SER 39 0.638 3.752 -1.308
241 HA SER 39 HA SER 39 -0.043 6.500 -2.114
242 HB2 SER 39 HB2 SER 39 -1.394 5.337 -0.349
243 HB3 SER 39 HB1 SER 39 0.032 5.369 0.688
244 HG SER 39 HG SER 39 -1.470 7.547 -0.318
245 H ASN 40 HN ASN 40 0.972 8.100 -0.268
246 HA ASN 40 HA ASN 40 3.653 8.452 -0.989
247 HB2 ASN 40 HB2 ASN 40 1.832 10.073 0.032
248 HB3 ASN 40 HB1 ASN 40 2.600 9.622 1.549
249 HD21 ASN 40 HD21 ASN 40 2.998 11.251 -1.494
250 HD22 ASN 40 HD22 ASN 40 4.453 12.090 -1.087
251 H CYS 41 HN CYS 41 4.821 6.573 -0.588
252 HA CYS 41 HA CYS 41 5.075 5.621 2.131
253 HB2 CYS 41 HB2 CYS 41 6.407 3.794 1.214
254 HB3 CYS 41 HB1 CYS 41 4.943 3.985 0.264
255 H ARG 42 HN ARG 42 7.456 6.549 -0.312
256 HA ARG 42 HA ARG 42 9.064 7.810 1.806
257 HB2 ARG 42 HB2 ARG 42 10.056 6.121 -0.493
258 HB3 ARG 42 HB1 ARG 42 11.105 7.111 0.511
259 HG2 ARG 42 HG2 ARG 42 11.354 5.116 1.576
260 HG3 ARG 42 HG1 ARG 42 9.946 5.722 2.451
261 HD2 ARG 42 HD2 ARG 42 8.560 4.505 0.668
262 HD3 ARG 42 HD1 ARG 42 10.059 3.671 0.259
263 HE ARG 42 HE ARG 42 8.695 3.527 2.868
264 HH11 ARG 42 HH11 ARG 42 10.865 2.115 0.490
265 HH12 ARG 42 HH12 ARG 42 11.044 0.633 1.367
266 HH21 ARG 42 HH21 ARG 42 8.951 1.579 3.998
267 HH22 ARG 42 HH22 ARG 42 9.961 0.330 3.350
268 H GLY 43 HN GLY 43 7.839 7.944 -1.419
269 HA2 GLY 43 HA2 GLY 43 7.847 10.656 -1.744
270 HA3 GLY 43 HA1 GLY 43 9.440 10.164 -2.300
Start of MODEL 18
1 H1 GLN 1 HT1 GLN 1 -2.908 -0.586 10.539
2 H2 GLN 1 HT2 GLN 1 -3.498 -2.152 10.294
3 H3 GLN 1 HT3 GLN 1 -4.459 -0.999 11.076
4 HA GLN 1 HA GLN 1 -3.565 -0.874 8.255
5 HB2 GLN 1 HB2 GLN 1 -6.200 -1.619 9.521
6 HB3 GLN 1 HB1 GLN 1 -6.077 -1.106 7.845
7 HG2 GLN 1 HG2 GLN 1 -4.632 -2.973 7.340
8 HG3 GLN 1 HG1 GLN 1 -4.625 -3.459 9.034
9 HE21 GLN 1 HE21 GLN 1 -6.458 -4.415 9.918
10 HE22 GLN 1 HE22 GLN 1 -7.721 -5.063 8.934
11 H ASN 2 HN ASN 2 -3.847 1.017 7.245
12 HA ASN 2 HA ASN 2 -5.260 3.170 8.672
13 HB2 ASN 2 HB2 ASN 2 -2.489 3.071 7.795
14 HB3 ASN 2 HB1 ASN 2 -3.338 4.433 7.073
15 HD21 ASN 2 HD21 ASN 2 -2.346 2.931 10.065
16 HD22 ASN 2 HD22 ASN 2 -2.540 4.329 11.060
17 H CYS 3 HN CYS 3 -4.684 1.532 5.690
18 HA CYS 3 HA CYS 3 -6.891 2.743 4.374
19 HB2 CYS 3 HB2 CYS 3 -5.714 4.642 3.834
20 HB3 CYS 3 HB1 CYS 3 -4.165 3.833 3.928
21 H GLY 4 HN GLY 4 -6.716 2.175 1.863
22 HA2 GLY 4 HA2 GLY 4 -5.377 0.418 0.506
23 HA3 GLY 4 HA1 GLY 4 -6.002 -0.665 1.731
24 H ARG 5 HN ARG 5 -7.901 -1.612 1.364
25 HA ARG 5 HA ARG 5 -9.746 -0.421 -0.596
26 HB2 ARG 5 HB2 ARG 5 -9.105 -3.371 -0.417
27 HB3 ARG 5 HB1 ARG 5 -10.208 -2.609 -1.553
28 HG2 ARG 5 HG2 ARG 5 -8.209 -1.317 -2.407
29 HG3 ARG 5 HG1 ARG 5 -7.218 -2.420 -1.451
30 HD2 ARG 5 HD2 ARG 5 -8.129 -4.321 -2.668
31 HD3 ARG 5 HD1 ARG 5 -9.174 -3.246 -3.596
32 HE ARG 5 HE ARG 5 -6.508 -2.426 -3.916
33 HH11 ARG 5 HH11 ARG 5 -8.591 -5.090 -4.866
34 HH12 ARG 5 HH12 ARG 5 -7.693 -5.426 -6.309
35 HH21 ARG 5 HH21 ARG 5 -5.351 -2.884 -5.810
36 HH22 ARG 5 HH22 ARG 5 -5.861 -4.177 -6.841
37 H GLN 6 HN GLN 6 -9.192 -2.062 2.331
38 HA GLN 6 HA GLN 6 -11.947 -2.854 2.793
39 HB2 GLN 6 HB2 GLN 6 -9.443 -3.079 4.450
40 HB3 GLN 6 HB1 GLN 6 -11.025 -3.526 5.072
41 HG2 GLN 6 HG2 GLN 6 -11.255 -5.182 3.284
42 HG3 GLN 6 HG1 GLN 6 -9.660 -4.737 2.676
43 HE21 GLN 6 HE21 GLN 6 -7.829 -5.326 3.840
44 HE22 GLN 6 HE22 GLN 6 -7.874 -6.537 5.072
45 H ALA 7 HN ALA 7 -9.859 -0.224 3.634
46 HA ALA 7 HA ALA 7 -11.602 0.792 5.728
47 HB1 ALA 7 HB1 ALA 7 -9.168 0.966 5.965
48 HB2 ALA 7 HB2 ALA 7 -9.934 2.554 5.976
49 HB3 ALA 7 HB3 ALA 7 -9.103 1.986 4.527
50 H GLY 8 HN GLY 8 -12.176 0.656 2.648
51 HA2 GLY 8 HA2 GLY 8 -13.815 1.858 1.463
52 HA3 GLY 8 HA1 GLY 8 -13.555 3.229 2.532
53 H ASN 9 HN ASN 9 -10.768 1.708 1.243
54 HA ASN 9 HA ASN 9 -9.077 2.375 -0.086
55 HB2 ASN 9 HB2 ASN 9 -11.030 1.890 -1.757
56 HB3 ASN 9 HB1 ASN 9 -11.030 3.634 -1.994
57 HD21 ASN 9 HD21 ASN 9 -9.259 4.617 -2.971
58 HD22 ASN 9 HD22 ASN 9 -8.085 3.716 -3.862
59 H ARG 10 HN ARG 10 -8.574 3.866 1.651
60 HA ARG 10 HA ARG 10 -8.985 6.707 1.065
61 HB2 ARG 10 HB2 ARG 10 -8.025 5.195 3.495
62 HB3 ARG 10 HB1 ARG 10 -7.836 6.937 3.367
63 HG2 ARG 10 HG2 ARG 10 -10.266 7.173 3.127
64 HG3 ARG 10 HG1 ARG 10 -10.440 5.425 3.295
65 HD2 ARG 10 HD2 ARG 10 -9.451 5.539 5.527
66 HD3 ARG 10 HD1 ARG 10 -9.261 7.284 5.358
67 HE ARG 10 HE ARG 10 -11.962 6.559 4.956
68 HH11 ARG 10 HH11 ARG 10 -9.615 6.897 7.547
69 HH12 ARG 10 HH12 ARG 10 -10.819 7.219 8.749
70 HH21 ARG 10 HH21 ARG 10 -13.026 7.266 8.183
71 HH22 ARG 10 HH22 ARG 10 -13.519 6.982 6.548
72 H ALA 11 HN ALA 11 -6.560 7.601 2.411
73 HA ALA 11 HA ALA 11 -4.372 6.513 0.807
74 HB1 ALA 11 HB1 ALA 11 -5.287 8.341 -0.541
75 HB2 ALA 11 HB2 ALA 11 -3.661 8.711 0.035
76 HB3 ALA 11 HB3 ALA 11 -5.062 9.449 0.812
77 H CYS 12 HN CYS 12 -2.404 6.578 1.819
78 HA CYS 12 HA CYS 12 -2.392 7.682 4.543
79 HB2 CYS 12 HB2 CYS 12 -0.743 5.530 3.221
80 HB3 CYS 12 HB1 CYS 12 -0.319 6.212 4.787
81 H ALA 13 HN ALA 13 -1.459 9.567 4.839
82 HA ALA 13 HA ALA 13 1.048 10.208 3.472
83 HB1 ALA 13 HB1 ALA 13 -0.721 11.196 2.100
84 HB2 ALA 13 HB2 ALA 13 0.289 12.432 2.849
85 HB3 ALA 13 HB3 ALA 13 -1.311 12.085 3.506
86 H ASN 14 HN ASN 14 0.093 9.547 6.285
87 HA ASN 14 HA ASN 14 0.714 12.002 7.719
88 HB2 ASN 14 HB2 ASN 14 -1.194 10.323 8.305
89 HB3 ASN 14 HB1 ASN 14 0.095 9.401 9.070
90 HD21 ASN 14 HD21 ASN 14 -1.790 12.315 9.154
91 HD22 ASN 14 HD22 ASN 14 -1.338 12.805 10.747
92 H GLN 15 HN GLN 15 1.720 8.639 8.209
93 HA GLN 15 HA GLN 15 4.521 9.458 8.336
94 HB2 GLN 15 HB2 GLN 15 3.044 8.088 10.575
95 HB3 GLN 15 HB1 GLN 15 4.793 8.004 10.420
96 HG2 GLN 15 HG2 GLN 15 4.927 10.437 10.584
97 HG3 GLN 15 HG1 GLN 15 3.173 10.524 10.733
98 HE21 GLN 15 HE21 GLN 15 2.188 9.837 12.634
99 HE22 GLN 15 HE22 GLN 15 3.076 9.617 14.100
100 H LEU 16 HN LEU 16 2.162 6.896 8.194
101 HA LEU 16 HA LEU 16 4.194 5.002 7.269
102 HB2 LEU 16 HB2 LEU 16 2.353 3.283 7.516
103 HB3 LEU 16 HB1 LEU 16 2.898 4.020 9.002
104 HG LEU 16 HG LEU 16 0.417 5.000 7.609
105 HD11 LEU 16 HD11 LEU 16 0.690 2.669 9.493
106 HD12 LEU 16 HD12 LEU 16 0.024 2.661 7.859
107 HD13 LEU 16 HD13 LEU 16 -0.832 3.487 9.161
108 HD21 LEU 16 HD21 LEU 16 -0.223 5.559 9.960
109 HD22 LEU 16 HD22 LEU 16 1.194 6.433 9.383
110 HD23 LEU 16 HD23 LEU 16 1.390 5.058 10.469
111 H CYS 17 HN CYS 17 2.679 3.298 5.640
112 HA CYS 17 HA CYS 17 1.641 5.005 3.531
113 HB2 CYS 17 HB2 CYS 17 3.131 3.485 1.924
114 HB3 CYS 17 HB1 CYS 17 3.732 4.998 2.597
115 H CYS 18 HN CYS 18 0.239 4.298 2.249
116 HA CYS 18 HA CYS 18 -0.970 1.694 2.720
117 HB2 CYS 18 HB2 CYS 18 -2.331 3.692 2.959
118 HB3 CYS 18 HB1 CYS 18 -1.931 4.184 1.323
119 H SER 19 HN SER 19 -1.799 0.441 1.042
120 HA SER 19 HA SER 19 -0.797 0.891 -1.669
121 HB2 SER 19 HB2 SER 19 -0.289 -1.554 -1.886
122 HB3 SER 19 HB1 SER 19 0.759 -0.739 -0.725
123 HG SER 19 HG SER 19 0.060 -2.106 0.694
124 H GLN 20 HN GLN 20 -2.018 -0.443 -3.305
125 HA GLN 20 HA GLN 20 -4.837 -0.337 -2.729
126 HB2 GLN 20 HB2 GLN 20 -3.263 -1.087 -5.192
127 HB3 GLN 20 HB1 GLN 20 -5.014 -1.232 -5.128
128 HG2 GLN 20 HG2 GLN 20 -5.173 1.173 -4.638
129 HG3 GLN 20 HG1 GLN 20 -3.420 1.298 -4.772
130 HE21 GLN 20 HE21 GLN 20 -6.402 0.828 -6.488
131 HE22 GLN 20 HE22 GLN 20 -5.769 1.088 -8.073
132 H TYR 21 HN TYR 21 -4.933 -1.878 -1.032
133 HA TYR 21 HA TYR 21 -5.597 -4.531 -1.884
134 HB2 TYR 21 HB2 TYR 21 -3.324 -5.108 -1.712
135 HB3 TYR 21 HB1 TYR 21 -3.055 -4.030 -0.353
136 HD1 TYR 21 HD1 TYR 21 -3.297 -4.800 1.892
137 HD2 TYR 21 HD2 TYR 21 -4.463 -7.295 -1.346
138 HE1 TYR 21 HE1 TYR 21 -3.488 -6.711 3.435
139 HE2 TYR 21 HE2 TYR 21 -4.659 -9.210 0.183
140 HH TYR 21 HH TYR 21 -4.650 -8.867 3.561
141 H GLY 22 HN GLY 22 -4.578 -2.866 1.047
142 HA2 GLY 22 HA2 GLY 22 -6.797 -2.253 2.385
143 HA3 GLY 22 HA1 GLY 22 -6.787 -3.995 2.568
144 H PHE 23 HN PHE 23 -3.674 -2.600 2.350
145 HA PHE 23 HA PHE 23 -3.422 -2.537 5.266
146 HB2 PHE 23 HB2 PHE 23 -2.533 -4.669 3.955
147 HB3 PHE 23 HB1 PHE 23 -1.140 -3.632 3.703
148 HD1 PHE 23 HD1 PHE 23 -1.932 -6.279 5.470
149 HD2 PHE 23 HD2 PHE 23 -0.854 -2.234 6.269
150 HE1 PHE 23 HE1 PHE 23 -1.097 -6.939 7.685
151 HE2 PHE 23 HE2 PHE 23 -0.020 -2.894 8.485
152 HZ PHE 23 HZ PHE 23 -0.138 -5.248 9.195
153 H CYS 24 HN CYS 24 -2.371 -0.876 6.068
154 HA CYS 24 HA CYS 24 -0.432 0.602 4.439
155 HB2 CYS 24 HB2 CYS 24 -2.457 1.926 4.449
156 HB3 CYS 24 HB1 CYS 24 -2.628 1.731 6.184
157 H GLY 25 HN GLY 25 1.474 0.942 5.436
158 HA2 GLY 25 HA2 GLY 25 1.835 1.218 8.233
159 HA3 GLY 25 HA1 GLY 25 2.210 -0.423 7.742
160 H SER 26 HN SER 26 4.367 -0.603 7.768
161 HA SER 26 HA SER 26 5.936 1.337 6.206
162 HB2 SER 26 HB2 SER 26 6.605 0.302 8.959
163 HB3 SER 26 HB1 SER 26 7.742 1.168 7.926
164 HG SER 26 HG SER 26 6.900 2.857 8.872
165 H THR 27 HN THR 27 5.335 -1.905 7.114
166 HA THR 27 HA THR 27 7.783 -3.142 6.474
167 HB THR 27 HB THR 27 5.128 -4.496 6.112
168 HG1 THR 27 HG1 THR 27 4.674 -3.901 8.091
169 HG21 THR 27 HG21 THR 27 6.298 -6.419 7.098
170 HG22 THR 27 HG22 THR 27 7.757 -5.444 7.267
171 HG23 THR 27 HG23 THR 27 7.136 -5.832 5.662
172 H SER 28 HN SER 28 8.213 -4.590 4.652
173 HA SER 28 HA SER 28 7.682 -3.284 2.127
174 HB2 SER 28 HB2 SER 28 9.940 -4.130 2.783
175 HB3 SER 28 HB1 SER 28 9.312 -5.773 2.668
176 HG SER 28 HG SER 28 10.401 -4.553 0.747
177 H GLU 29 HN GLU 29 5.368 -3.816 2.473
178 HA GLU 29 HA GLU 29 4.603 -6.023 0.765
179 HB2 GLU 29 HB2 GLU 29 3.656 -5.817 3.634
180 HB3 GLU 29 HB1 GLU 29 2.742 -6.678 2.406
181 HG2 GLU 29 HG2 GLU 29 5.605 -7.356 2.990
182 HG3 GLU 29 HG1 GLU 29 4.281 -8.026 3.941
183 H TYR 30 HN TYR 30 3.765 -3.339 2.797
184 HA TYR 30 HA TYR 30 1.492 -2.588 1.153
185 HB2 TYR 30 HB2 TYR 30 2.109 -0.685 3.237
186 HB3 TYR 30 HB1 TYR 30 0.646 -1.629 3.007
187 HD1 TYR 30 HD1 TYR 30 1.067 -4.279 3.686
188 HD2 TYR 30 HD2 TYR 30 3.144 -0.921 5.283
189 HE1 TYR 30 HE1 TYR 30 1.601 -5.576 5.702
190 HE2 TYR 30 HE2 TYR 30 3.678 -2.215 7.301
191 HH TYR 30 HH TYR 30 3.279 -5.573 7.499
192 H CYS 31 HN CYS 31 4.772 -1.784 1.759
193 HA CYS 31 HA CYS 31 4.608 0.423 -0.157
194 HB2 CYS 31 HB2 CYS 31 6.596 0.627 2.059
195 HB3 CYS 31 HB1 CYS 31 5.792 1.902 1.156
196 H SER 32 HN SER 32 5.301 -1.078 -1.730
197 HA SER 32 HA SER 32 8.171 -1.746 -1.551
198 HB2 SER 32 HB2 SER 32 6.658 -3.736 -1.553
199 HB3 SER 32 HB1 SER 32 6.075 -3.239 -3.140
200 HG SER 32 HG SER 32 8.385 -4.519 -2.453
201 H ARG 33 HN ARG 33 9.472 -1.135 -3.216
202 HA ARG 33 HA ARG 33 8.366 0.775 -5.086
203 HB2 ARG 33 HB2 ARG 33 10.510 1.099 -3.783
204 HB3 ARG 33 HB1 ARG 33 11.242 -0.121 -4.809
205 HG2 ARG 33 HG2 ARG 33 11.932 1.751 -5.911
206 HG3 ARG 33 HG1 ARG 33 10.389 1.506 -6.729
207 HD2 ARG 33 HD2 ARG 33 10.372 3.773 -6.196
208 HD3 ARG 33 HD1 ARG 33 9.419 3.042 -4.906
209 HE ARG 33 HE ARG 33 11.594 3.118 -3.599
210 HH11 ARG 33 HH11 ARG 33 10.826 5.497 -6.068
211 HH12 ARG 33 HH12 ARG 33 11.802 6.732 -5.343
212 HH21 ARG 33 HH21 ARG 33 12.864 4.749 -2.670
213 HH22 ARG 33 HH22 ARG 33 12.954 6.308 -3.422
214 H ALA 34 HN ALA 34 8.391 -2.452 -5.201
215 HA ALA 34 HA ALA 34 8.815 -2.528 -8.113
216 HB1 ALA 34 HB1 ALA 34 10.661 -3.662 -6.972
217 HB2 ALA 34 HB2 ALA 34 9.700 -4.780 -7.940
218 HB3 ALA 34 HB3 ALA 34 9.505 -4.738 -6.188
219 H ASN 35 HN ASN 35 6.809 -3.356 -5.434
220 HA ASN 35 HA ASN 35 4.787 -4.424 -7.266
221 HB2 ASN 35 HB2 ASN 35 5.805 -5.842 -4.806
222 HB3 ASN 35 HB1 ASN 35 4.241 -6.208 -5.527
223 HD21 ASN 35 HD21 ASN 35 4.158 -7.204 -7.544
224 HD22 ASN 35 HD22 ASN 35 5.530 -7.998 -8.231
225 H GLY 36 HN GLY 36 5.566 -2.457 -4.615
226 HA2 GLY 36 HA2 GLY 36 2.705 -2.224 -3.910
227 HA3 GLY 36 HA1 GLY 36 3.981 -2.097 -2.713
228 H CYS 37 HN CYS 37 4.380 -0.163 -2.075
229 HA CYS 37 HA CYS 37 4.082 2.092 -1.818
230 HB2 CYS 37 HB2 CYS 37 6.174 1.455 -3.728
231 HB3 CYS 37 HB1 CYS 37 5.599 3.113 -3.878
232 H GLN 38 HN GLN 38 2.085 2.835 -2.069
233 HA GLN 38 HA GLN 38 1.368 3.910 -4.724
234 HB2 GLN 38 HB2 GLN 38 -0.636 2.955 -2.670
235 HB3 GLN 38 HB1 GLN 38 -0.945 3.407 -4.338
236 HG2 GLN 38 HG2 GLN 38 0.805 1.076 -3.634
237 HG3 GLN 38 HG1 GLN 38 -0.946 0.923 -3.746
238 HE21 GLN 38 HE21 GLN 38 2.001 1.453 -5.501
239 HE22 GLN 38 HE22 GLN 38 1.348 1.211 -7.081
240 H SER 39 HN SER 39 0.839 4.143 -1.230
241 HA SER 39 HA SER 39 0.082 6.922 -1.341
242 HB2 SER 39 HB2 SER 39 0.178 4.729 0.627
243 HB3 SER 39 HB1 SER 39 0.409 6.345 1.293
244 HG SER 39 HG SER 39 -1.597 6.883 0.730
245 H ASN 40 HN ASN 40 1.290 8.108 0.800
246 HA ASN 40 HA ASN 40 3.834 8.836 -0.222
247 HB2 ASN 40 HB2 ASN 40 2.101 10.161 1.265
248 HB3 ASN 40 HB1 ASN 40 3.049 9.490 2.589
249 HD21 ASN 40 HD21 ASN 40 5.183 10.134 2.861
250 HD22 ASN 40 HD22 ASN 40 5.822 11.543 2.092
251 H CYS 41 HN CYS 41 5.045 6.949 -0.322
252 HA CYS 41 HA CYS 41 5.981 5.859 2.246
253 HB2 CYS 41 HB2 CYS 41 6.738 3.881 0.871
254 HB3 CYS 41 HB1 CYS 41 4.994 4.109 0.904
255 H ARG 42 HN ARG 42 7.128 6.597 -1.006
256 HA ARG 42 HA ARG 42 9.868 6.841 -0.006
257 HB2 ARG 42 HB2 ARG 42 9.191 7.012 -2.918
258 HB3 ARG 42 HB1 ARG 42 10.659 6.424 -2.159
259 HG2 ARG 42 HG2 ARG 42 8.063 4.929 -1.918
260 HG3 ARG 42 HG1 ARG 42 9.120 4.728 -3.312
261 HD2 ARG 42 HD2 ARG 42 9.587 2.973 -1.748
262 HD3 ARG 42 HD1 ARG 42 10.955 4.084 -1.753
263 HE ARG 42 HE ARG 42 9.189 4.842 0.291
264 HH11 ARG 42 HH11 ARG 42 11.394 2.209 -0.444
265 HH12 ARG 42 HH12 ARG 42 11.700 1.849 1.221
266 HH21 ARG 42 HH21 ARG 42 9.605 4.352 2.464
267 HH22 ARG 42 HH22 ARG 42 10.687 3.061 2.866
268 H GLY 43 HN GLY 43 7.333 8.652 -1.563
269 HA2 GLY 43 HA2 GLY 43 8.934 11.114 -1.229
270 HA3 GLY 43 HA1 GLY 43 7.936 10.848 -2.651
Start of MODEL 19
1 H1 GLN 1 HT1 GLN 1 -2.174 -0.504 10.281
2 H2 GLN 1 HT2 GLN 1 -2.781 -2.078 10.157
3 H3 GLN 1 HT3 GLN 1 -3.630 -0.911 11.042
4 HA GLN 1 HA GLN 1 -3.146 -0.848 8.120
5 HB2 GLN 1 HB2 GLN 1 -5.579 -1.561 9.760
6 HB3 GLN 1 HB1 GLN 1 -5.682 -1.108 8.065
7 HG2 GLN 1 HG2 GLN 1 -4.286 -2.989 7.448
8 HG3 GLN 1 HG1 GLN 1 -4.093 -3.424 9.145
9 HE21 GLN 1 HE21 GLN 1 -6.254 -3.357 6.427
10 HE22 GLN 1 HE22 GLN 1 -7.451 -4.410 7.093
11 H ASN 2 HN ASN 2 -3.640 1.005 7.100
12 HA ASN 2 HA ASN 2 -4.932 3.159 8.621
13 HB2 ASN 2 HB2 ASN 2 -2.190 3.122 7.640
14 HB3 ASN 2 HB1 ASN 2 -3.094 4.478 6.974
15 HD21 ASN 2 HD21 ASN 2 -3.881 6.063 8.356
16 HD22 ASN 2 HD22 ASN 2 -3.315 6.234 9.979
17 H CYS 3 HN CYS 3 -4.545 1.478 5.644
18 HA CYS 3 HA CYS 3 -6.789 2.710 4.435
19 HB2 CYS 3 HB2 CYS 3 -5.695 4.585 3.727
20 HB3 CYS 3 HB1 CYS 3 -4.119 3.836 3.854
21 H GLY 4 HN GLY 4 -6.630 2.154 1.861
22 HA2 GLY 4 HA2 GLY 4 -5.561 0.389 0.410
23 HA3 GLY 4 HA1 GLY 4 -5.903 -0.704 1.735
24 H ARG 5 HN ARG 5 -7.094 -1.941 0.083
25 HA ARG 5 HA ARG 5 -9.560 -0.735 -0.863
26 HB2 ARG 5 HB2 ARG 5 -9.881 -2.853 -2.142
27 HB3 ARG 5 HB1 ARG 5 -8.352 -2.068 -2.493
28 HG2 ARG 5 HG2 ARG 5 -7.199 -3.676 -1.049
29 HG3 ARG 5 HG1 ARG 5 -8.741 -4.463 -0.705
30 HD2 ARG 5 HD2 ARG 5 -9.004 -4.977 -3.085
31 HD3 ARG 5 HD1 ARG 5 -7.462 -4.192 -3.424
32 HE ARG 5 HE ARG 5 -7.070 -6.191 -1.487
33 HH11 ARG 5 HH11 ARG 5 -7.799 -5.918 -4.913
34 HH12 ARG 5 HH12 ARG 5 -7.074 -7.442 -5.305
35 HH21 ARG 5 HH21 ARG 5 -6.128 -8.181 -2.024
36 HH22 ARG 5 HH22 ARG 5 -6.130 -8.721 -3.670
37 H GLN 6 HN GLN 6 -8.884 -1.685 2.021
38 HA GLN 6 HA GLN 6 -11.371 -3.204 2.471
39 HB2 GLN 6 HB2 GLN 6 -8.761 -3.270 3.981
40 HB3 GLN 6 HB1 GLN 6 -10.250 -3.937 4.634
41 HG2 GLN 6 HG2 GLN 6 -9.235 -4.824 1.953
42 HG3 GLN 6 HG1 GLN 6 -8.580 -5.514 3.437
43 HE21 GLN 6 HE21 GLN 6 -11.368 -5.236 1.385
44 HE22 GLN 6 HE22 GLN 6 -12.281 -6.515 2.104
45 H ALA 7 HN ALA 7 -9.547 -0.394 3.261
46 HA ALA 7 HA ALA 7 -11.204 0.322 5.552
47 HB1 ALA 7 HB1 ALA 7 -8.780 0.719 5.625
48 HB2 ALA 7 HB2 ALA 7 -9.700 2.212 5.805
49 HB3 ALA 7 HB3 ALA 7 -8.932 1.832 4.266
50 H GLY 8 HN GLY 8 -11.359 0.671 2.221
51 HA2 GLY 8 HA2 GLY 8 -13.317 1.692 1.234
52 HA3 GLY 8 HA1 GLY 8 -13.224 2.945 2.464
53 H ASN 9 HN ASN 9 -10.539 1.650 0.618
54 HA ASN 9 HA ASN 9 -8.861 2.639 -0.516
55 HB2 ASN 9 HB2 ASN 9 -9.547 3.688 -2.668
56 HB3 ASN 9 HB1 ASN 9 -10.331 2.149 -2.351
57 HD21 ASN 9 HD21 ASN 9 -10.752 5.541 -2.794
58 HD22 ASN 9 HD22 ASN 9 -12.479 5.543 -2.822
59 H ARG 10 HN ARG 10 -8.506 3.909 1.507
60 HA ARG 10 HA ARG 10 -8.827 6.797 1.152
61 HB2 ARG 10 HB2 ARG 10 -7.963 5.063 3.468
62 HB3 ARG 10 HB1 ARG 10 -7.753 6.807 3.497
63 HG2 ARG 10 HG2 ARG 10 -10.168 7.099 3.217
64 HG3 ARG 10 HG1 ARG 10 -10.371 5.346 3.208
65 HD2 ARG 10 HD2 ARG 10 -9.451 5.227 5.470
66 HD3 ARG 10 HD1 ARG 10 -9.237 6.978 5.478
67 HE ARG 10 HE ARG 10 -11.927 6.365 4.920
68 HH11 ARG 10 HH11 ARG 10 -9.675 6.284 7.614
69 HH12 ARG 10 HH12 ARG 10 -10.917 6.474 8.806
70 HH21 ARG 10 HH21 ARG 10 -13.100 6.660 8.173
71 HH22 ARG 10 HH22 ARG 10 -13.536 6.613 6.498
72 H ALA 11 HN ALA 11 -6.440 7.594 2.577
73 HA ALA 11 HA ALA 11 -4.220 6.523 1.012
74 HB1 ALA 11 HB1 ALA 11 -5.089 8.364 -0.352
75 HB2 ALA 11 HB2 ALA 11 -3.473 8.715 0.263
76 HB3 ALA 11 HB3 ALA 11 -4.883 9.467 1.010
77 H CYS 12 HN CYS 12 -2.199 6.782 1.949
78 HA CYS 12 HA CYS 12 -2.233 7.769 4.724
79 HB2 CYS 12 HB2 CYS 12 -0.392 5.784 3.371
80 HB3 CYS 12 HB1 CYS 12 -0.211 6.338 5.032
81 H ALA 13 HN ALA 13 -1.349 9.683 5.056
82 HA ALA 13 HA ALA 13 1.058 10.455 3.564
83 HB1 ALA 13 HB1 ALA 13 -1.315 12.265 3.976
84 HB2 ALA 13 HB2 ALA 13 -0.857 11.498 2.455
85 HB3 ALA 13 HB3 ALA 13 0.205 12.699 3.192
86 H ASN 14 HN ASN 14 0.501 9.526 6.368
87 HA ASN 14 HA ASN 14 1.191 11.884 7.937
88 HB2 ASN 14 HB2 ASN 14 -0.575 10.083 8.600
89 HB3 ASN 14 HB1 ASN 14 0.827 9.147 9.108
90 HD21 ASN 14 HD21 ASN 14 -1.110 11.967 9.702
91 HD22 ASN 14 HD22 ASN 14 -0.473 12.328 11.266
92 H GLN 15 HN GLN 15 2.342 8.548 8.166
93 HA GLN 15 HA GLN 15 5.116 9.383 7.810
94 HB2 GLN 15 HB2 GLN 15 4.047 8.160 10.349
95 HB3 GLN 15 HB1 GLN 15 5.738 8.018 9.895
96 HG2 GLN 15 HG2 GLN 15 5.946 10.450 9.888
97 HG3 GLN 15 HG1 GLN 15 4.247 10.596 10.335
98 HE21 GLN 15 HE21 GLN 15 3.602 10.044 12.418
99 HE22 GLN 15 HE22 GLN 15 4.730 9.880 13.716
100 H LEU 16 HN LEU 16 2.652 7.022 7.712
101 HA LEU 16 HA LEU 16 4.538 4.929 6.886
102 HB2 LEU 16 HB2 LEU 16 2.525 3.388 7.173
103 HB3 LEU 16 HB1 LEU 16 3.229 4.042 8.634
104 HG LEU 16 HG LEU 16 0.806 5.313 7.382
105 HD11 LEU 16 HD11 LEU 16 -0.568 3.940 8.899
106 HD12 LEU 16 HD12 LEU 16 0.858 2.988 9.297
107 HD13 LEU 16 HD13 LEU 16 0.227 2.985 7.649
108 HD21 LEU 16 HD21 LEU 16 0.362 6.050 9.661
109 HD22 LEU 16 HD22 LEU 16 1.984 6.541 9.175
110 HD23 LEU 16 HD23 LEU 16 1.766 5.157 10.245
111 H CYS 17 HN CYS 17 2.783 3.303 5.369
112 HA CYS 17 HA CYS 17 1.789 4.979 3.236
113 HB2 CYS 17 HB2 CYS 17 3.435 2.990 1.972
114 HB3 CYS 17 HB1 CYS 17 3.457 4.737 1.772
115 H CYS 18 HN CYS 18 0.314 4.250 2.015
116 HA CYS 18 HA CYS 18 -0.851 1.634 2.589
117 HB2 CYS 18 HB2 CYS 18 -2.236 3.627 2.852
118 HB3 CYS 18 HB1 CYS 18 -1.935 4.069 1.182
119 H SER 19 HN SER 19 -1.728 0.324 0.937
120 HA SER 19 HA SER 19 -0.953 0.842 -1.824
121 HB2 SER 19 HB2 SER 19 -0.040 -1.459 -2.114
122 HB3 SER 19 HB1 SER 19 0.921 -0.513 -0.977
123 HG SER 19 HG SER 19 -0.149 -2.841 -0.556
124 H GLN 20 HN GLN 20 -2.064 -0.666 -3.362
125 HA GLN 20 HA GLN 20 -4.820 -0.936 -2.656
126 HB2 GLN 20 HB2 GLN 20 -3.251 -1.701 -5.118
127 HB3 GLN 20 HB1 GLN 20 -4.970 -2.031 -4.965
128 HG2 GLN 20 HG2 GLN 20 -5.406 0.358 -4.692
129 HG3 GLN 20 HG1 GLN 20 -3.680 0.687 -4.847
130 HE21 GLN 20 HE21 GLN 20 -6.581 -0.272 -6.500
131 HE22 GLN 20 HE22 GLN 20 -5.980 -0.057 -8.106
132 H TYR 21 HN TYR 21 -4.745 -2.329 -0.873
133 HA TYR 21 HA TYR 21 -5.074 -5.111 -1.476
134 HB2 TYR 21 HB2 TYR 21 -2.735 -5.359 -1.322
135 HB3 TYR 21 HB1 TYR 21 -2.601 -4.189 -0.023
136 HD1 TYR 21 HD1 TYR 21 -2.274 -4.956 2.142
137 HD2 TYR 21 HD2 TYR 21 -4.025 -7.580 -0.713
138 HE1 TYR 21 HE1 TYR 21 -2.194 -6.789 3.781
139 HE2 TYR 21 HE2 TYR 21 -3.950 -9.418 0.917
140 HH TYR 21 HH TYR 21 -3.333 -8.923 4.216
141 H GLY 22 HN GLY 22 -4.995 -2.472 0.759
142 HA2 GLY 22 HA2 GLY 22 -6.936 -2.176 2.230
143 HA3 GLY 22 HA1 GLY 22 -6.906 -3.907 2.495
144 H PHE 23 HN PHE 23 -3.778 -2.676 2.394
145 HA PHE 23 HA PHE 23 -3.700 -2.306 5.299
146 HB2 PHE 23 HB2 PHE 23 -2.902 -4.624 4.282
147 HB3 PHE 23 HB1 PHE 23 -1.424 -3.718 4.006
148 HD1 PHE 23 HD1 PHE 23 -0.699 -2.273 6.218
149 HD2 PHE 23 HD2 PHE 23 -2.986 -5.867 6.186
150 HE1 PHE 23 HE1 PHE 23 -0.031 -2.718 8.543
151 HE2 PHE 23 HE2 PHE 23 -2.322 -6.312 8.511
152 HZ PHE 23 HZ PHE 23 -0.843 -4.739 9.692
153 H CYS 24 HN CYS 24 -2.345 -0.826 6.073
154 HA CYS 24 HA CYS 24 -0.413 0.488 4.306
155 HB2 CYS 24 HB2 CYS 24 -2.349 1.925 4.351
156 HB3 CYS 24 HB1 CYS 24 -2.468 1.794 6.094
157 H GLY 25 HN GLY 25 1.440 1.344 5.388
158 HA2 GLY 25 HA2 GLY 25 1.987 1.493 8.061
159 HA3 GLY 25 HA1 GLY 25 2.212 -0.204 7.686
160 H SER 26 HN SER 26 4.344 -0.597 7.577
161 HA SER 26 HA SER 26 5.990 1.200 5.925
162 HB2 SER 26 HB2 SER 26 6.731 0.025 8.597
163 HB3 SER 26 HB1 SER 26 7.865 0.839 7.520
164 HG SER 26 HG SER 26 7.218 2.518 8.648
165 H THR 27 HN THR 27 5.180 -2.018 6.811
166 HA THR 27 HA THR 27 7.479 -3.418 5.993
167 HB THR 27 HB THR 27 4.713 -4.555 5.703
168 HG1 THR 27 HG1 THR 27 4.381 -4.038 7.723
169 HG21 THR 27 HG21 THR 27 7.309 -5.737 6.709
170 HG22 THR 27 HG22 THR 27 6.599 -6.016 5.118
171 HG23 THR 27 HG23 THR 27 5.776 -6.597 6.566
172 H SER 28 HN SER 28 7.612 -4.894 4.092
173 HA SER 28 HA SER 28 7.230 -3.387 1.663
174 HB2 SER 28 HB2 SER 28 9.324 -4.600 2.244
175 HB3 SER 28 HB1 SER 28 8.452 -6.116 2.030
176 HG SER 28 HG SER 28 9.661 -5.353 0.154
177 H GLU 29 HN GLU 29 4.785 -3.825 2.365
178 HA GLU 29 HA GLU 29 3.739 -5.632 0.339
179 HB2 GLU 29 HB2 GLU 29 2.962 -5.784 3.263
180 HB3 GLU 29 HB1 GLU 29 1.937 -6.409 1.980
181 HG2 GLU 29 HG2 GLU 29 4.775 -7.324 2.295
182 HG3 GLU 29 HG1 GLU 29 3.464 -8.044 3.226
183 H TYR 30 HN TYR 30 3.158 -3.278 2.835
184 HA TYR 30 HA TYR 30 0.947 -2.072 1.370
185 HB2 TYR 30 HB2 TYR 30 1.535 -0.615 3.741
186 HB3 TYR 30 HB1 TYR 30 0.118 -1.593 3.397
187 HD1 TYR 30 HD1 TYR 30 0.689 -4.294 3.680
188 HD2 TYR 30 HD2 TYR 30 2.638 -1.091 5.695
189 HE1 TYR 30 HE1 TYR 30 1.311 -5.824 5.497
190 HE2 TYR 30 HE2 TYR 30 3.265 -2.615 7.514
191 HH TYR 30 HH TYR 30 2.512 -4.747 8.480
192 H CYS 31 HN CYS 31 4.207 -1.541 2.398
193 HA CYS 31 HA CYS 31 4.314 0.949 0.841
194 HB2 CYS 31 HB2 CYS 31 4.481 1.275 3.355
195 HB3 CYS 31 HB1 CYS 31 5.996 0.383 3.289
196 H SER 32 HN SER 32 4.993 -0.120 -0.990
197 HA SER 32 HA SER 32 7.311 -1.868 -0.883
198 HB2 SER 32 HB2 SER 32 5.395 -1.044 -3.037
199 HB3 SER 32 HB1 SER 32 6.903 -1.862 -3.441
200 HG SER 32 HG SER 32 4.801 -3.098 -2.907
201 H ARG 33 HN ARG 33 9.324 -1.369 -1.327
202 HA ARG 33 HA ARG 33 9.941 1.327 -2.300
203 HB2 ARG 33 HB2 ARG 33 12.240 0.896 -1.374
204 HB3 ARG 33 HB1 ARG 33 10.962 0.953 -0.175
205 HG2 ARG 33 HG2 ARG 33 10.965 -1.487 -0.036
206 HG3 ARG 33 HG1 ARG 33 12.224 -1.560 -1.271
207 HD2 ARG 33 HD2 ARG 33 13.727 -0.301 0.200
208 HD3 ARG 33 HD1 ARG 33 12.468 -0.241 1.432
209 HE ARG 33 HE ARG 33 12.857 -2.915 0.818
210 HH11 ARG 33 HH11 ARG 33 14.778 -0.316 2.194
211 HH12 ARG 33 HH12 ARG 33 15.755 -1.386 3.143
212 HH21 ARG 33 HH21 ARG 33 14.149 -4.297 2.068
213 HH22 ARG 33 HH22 ARG 33 15.398 -3.637 3.071
214 H ALA 34 HN ALA 34 10.328 -2.039 -2.979
215 HA ALA 34 HA ALA 34 11.928 -1.443 -5.373
216 HB1 ALA 34 HB1 ALA 34 11.594 -4.078 -3.949
217 HB2 ALA 34 HB2 ALA 34 12.984 -3.001 -3.808
218 HB3 ALA 34 HB3 ALA 34 12.621 -3.774 -5.351
219 H ASN 35 HN ASN 35 8.942 -2.750 -4.215
220 HA ASN 35 HA ASN 35 8.186 -3.784 -6.837
221 HB2 ASN 35 HB2 ASN 35 6.910 -3.959 -4.112
222 HB3 ASN 35 HB1 ASN 35 6.043 -4.430 -5.569
223 HD21 ASN 35 HD21 ASN 35 6.716 -6.243 -6.716
224 HD22 ASN 35 HD22 ASN 35 7.772 -7.423 -6.027
225 H GLY 36 HN GLY 36 7.835 -0.943 -4.975
226 HA2 GLY 36 HA2 GLY 36 7.051 1.090 -5.918
227 HA3 GLY 36 HA1 GLY 36 6.021 0.164 -6.997
228 H CYS 37 HN CYS 37 6.101 2.087 -4.281
229 HA CYS 37 HA CYS 37 3.762 0.951 -2.980
230 HB2 CYS 37 HB2 CYS 37 4.075 3.209 -1.610
231 HB3 CYS 37 HB1 CYS 37 5.115 1.819 -1.322
232 H GLN 38 HN GLN 38 1.914 2.531 -2.404
233 HA GLN 38 HA GLN 38 1.171 3.917 -4.899
234 HB2 GLN 38 HB2 GLN 38 -0.710 2.971 -2.742
235 HB3 GLN 38 HB1 GLN 38 -1.113 3.457 -4.381
236 HG2 GLN 38 HG2 GLN 38 0.601 1.067 -3.775
237 HG3 GLN 38 HG1 GLN 38 -1.157 0.979 -3.864
238 HE21 GLN 38 HE21 GLN 38 1.784 1.435 -5.653
239 HE22 GLN 38 HE22 GLN 38 1.101 1.236 -7.227
240 H SER 39 HN SER 39 0.505 4.150 -1.408
241 HA SER 39 HA SER 39 -0.272 6.893 -1.531
242 HB2 SER 39 HB2 SER 39 0.006 4.769 0.510
243 HB3 SER 39 HB1 SER 39 0.041 6.431 1.095
244 HG SER 39 HG SER 39 -2.079 5.870 1.072
245 H ASN 40 HN ASN 40 0.801 8.237 0.492
246 HA ASN 40 HA ASN 40 3.321 9.081 -0.467
247 HB2 ASN 40 HB2 ASN 40 1.362 10.044 1.323
248 HB3 ASN 40 HB1 ASN 40 2.877 9.984 2.219
249 HD21 ASN 40 HD21 ASN 40 4.605 11.259 1.555
250 HD22 ASN 40 HD22 ASN 40 4.401 12.590 0.473
251 H CYS 41 HN CYS 41 4.629 7.273 -0.456
252 HA CYS 41 HA CYS 41 5.413 6.098 2.097
253 HB2 CYS 41 HB2 CYS 41 6.842 4.638 0.476
254 HB3 CYS 41 HB1 CYS 41 5.100 4.417 0.481
255 H ARG 42 HN ARG 42 8.115 5.447 1.449
256 HA ARG 42 HA ARG 42 9.454 7.731 2.385
257 HB2 ARG 42 HB2 ARG 42 11.547 6.291 1.444
258 HB3 ARG 42 HB1 ARG 42 10.749 5.954 2.968
259 HG2 ARG 42 HG2 ARG 42 10.950 3.864 1.997
260 HG3 ARG 42 HG1 ARG 42 9.295 4.314 1.605
261 HD2 ARG 42 HD2 ARG 42 11.559 4.829 -0.302
262 HD3 ARG 42 HD1 ARG 42 10.742 3.271 -0.242
263 HE ARG 42 HE ARG 42 8.746 5.153 -0.483
264 HH11 ARG 42 HH11 ARG 42 11.521 4.190 -2.408
265 HH12 ARG 42 HH12 ARG 42 10.783 4.644 -3.908
266 HH21 ARG 42 HH21 ARG 42 7.804 5.752 -2.459
267 HH22 ARG 42 HH22 ARG 42 8.683 5.527 -3.935
268 H GLY 43 HN GLY 43 9.133 9.498 1.136
269 HA2 GLY 43 HA2 GLY 43 10.006 9.462 -1.662
270 HA3 GLY 43 HA1 GLY 43 9.078 10.735 -0.884
Start of MODEL 20
1 H1 GLN 1 HT1 GLN 1 -6.057 0.011 11.192
2 H2 GLN 1 HT2 GLN 1 -4.376 0.189 11.124
3 H3 GLN 1 HT3 GLN 1 -5.081 -1.312 10.793
4 HA GLN 1 HA GLN 1 -4.376 -0.225 8.765
5 HB2 GLN 1 HB2 GLN 1 -6.627 -1.589 9.118
6 HB3 GLN 1 HB1 GLN 1 -7.359 -0.044 8.715
7 HG2 GLN 1 HG2 GLN 1 -6.083 -0.026 6.606
8 HG3 GLN 1 HG1 GLN 1 -5.450 -1.622 7.007
9 HE21 GLN 1 HE21 GLN 1 -8.236 0.197 6.022
10 HE22 GLN 1 HE22 GLN 1 -9.215 -1.154 5.573
11 H ASN 2 HN ASN 2 -4.380 1.537 7.405
12 HA ASN 2 HA ASN 2 -5.626 4.003 8.420
13 HB2 ASN 2 HB2 ASN 2 -2.846 3.633 7.295
14 HB3 ASN 2 HB1 ASN 2 -3.615 5.208 7.404
15 HD21 ASN 2 HD21 ASN 2 -2.334 2.516 9.215
16 HD22 ASN 2 HD22 ASN 2 -2.169 3.352 10.719
17 H CYS 3 HN CYS 3 -4.737 2.041 5.699
18 HA CYS 3 HA CYS 3 -6.665 3.251 3.980
19 HB2 CYS 3 HB2 CYS 3 -5.249 4.986 3.465
20 HB3 CYS 3 HB1 CYS 3 -3.809 4.056 3.825
21 H GLY 4 HN GLY 4 -6.445 2.363 1.682
22 HA2 GLY 4 HA2 GLY 4 -5.356 0.553 0.362
23 HA3 GLY 4 HA1 GLY 4 -5.496 -0.429 1.805
24 H ARG 5 HN ARG 5 -6.599 -1.871 0.186
25 HA ARG 5 HA ARG 5 -9.302 -1.062 -0.512
26 HB2 ARG 5 HB2 ARG 5 -7.617 -2.362 -2.029
27 HB3 ARG 5 HB1 ARG 5 -8.177 -3.769 -1.133
28 HG2 ARG 5 HG2 ARG 5 -10.453 -3.349 -1.826
29 HG3 ARG 5 HG1 ARG 5 -9.951 -1.873 -2.653
30 HD2 ARG 5 HD2 ARG 5 -8.534 -3.206 -4.151
31 HD3 ARG 5 HD1 ARG 5 -9.058 -4.676 -3.330
32 HE ARG 5 HE ARG 5 -11.368 -3.446 -4.161
33 HH11 ARG 5 HH11 ARG 5 -8.496 -4.660 -5.777
34 HH12 ARG 5 HH12 ARG 5 -9.338 -5.026 -7.246
35 HH21 ARG 5 HH21 ARG 5 -12.449 -3.933 -6.093
36 HH22 ARG 5 HH22 ARG 5 -11.573 -4.614 -7.423
37 H GLN 6 HN GLN 6 -9.622 -0.959 1.885
38 HA GLN 6 HA GLN 6 -11.201 -3.197 2.748
39 HB2 GLN 6 HB2 GLN 6 -8.604 -2.563 4.092
40 HB3 GLN 6 HB1 GLN 6 -9.962 -3.092 5.077
41 HG2 GLN 6 HG2 GLN 6 -10.125 -5.138 3.757
42 HG3 GLN 6 HG1 GLN 6 -8.765 -4.609 2.768
43 HE21 GLN 6 HE21 GLN 6 -9.764 -5.790 5.881
44 HE22 GLN 6 HE22 GLN 6 -8.189 -6.206 6.455
45 H ALA 7 HN ALA 7 -9.825 -0.064 3.390
46 HA ALA 7 HA ALA 7 -11.942 0.671 5.260
47 HB1 ALA 7 HB1 ALA 7 -9.641 1.302 5.799
48 HB2 ALA 7 HB2 ALA 7 -10.660 2.725 5.589
49 HB3 ALA 7 HB3 ALA 7 -9.549 2.240 4.309
50 H GLY 8 HN GLY 8 -10.994 1.151 1.980
51 HA2 GLY 8 HA2 GLY 8 -13.030 1.785 0.577
52 HA3 GLY 8 HA1 GLY 8 -13.059 3.221 1.589
53 H ASN 9 HN ASN 9 -10.071 1.731 0.569
54 HA ASN 9 HA ASN 9 -8.286 2.452 -0.615
55 HB2 ASN 9 HB2 ASN 9 -10.131 2.055 -2.427
56 HB3 ASN 9 HB1 ASN 9 -10.113 3.808 -2.582
57 HD21 ASN 9 HD21 ASN 9 -8.325 0.867 -3.041
58 HD22 ASN 9 HD22 ASN 9 -7.082 1.537 -4.037
59 H ARG 10 HN ARG 10 -8.512 3.977 1.475
60 HA ARG 10 HA ARG 10 -8.652 6.793 0.856
61 HB2 ARG 10 HB2 ARG 10 -7.880 5.253 3.341
62 HB3 ARG 10 HB1 ARG 10 -7.800 7.006 3.258
63 HG2 ARG 10 HG2 ARG 10 -10.204 7.086 2.780
64 HG3 ARG 10 HG1 ARG 10 -10.275 5.326 2.902
65 HD2 ARG 10 HD2 ARG 10 -9.526 5.454 5.223
66 HD3 ARG 10 HD1 ARG 10 -9.434 7.210 5.102
67 HE ARG 10 HE ARG 10 -12.029 6.296 4.422
68 HH11 ARG 10 HH11 ARG 10 -9.975 6.829 7.222
69 HH12 ARG 10 HH12 ARG 10 -11.311 7.068 8.299
70 HH21 ARG 10 HH21 ARG 10 -13.451 6.947 7.522
71 HH22 ARG 10 HH22 ARG 10 -13.760 6.614 5.850
72 H ALA 11 HN ALA 11 -6.413 7.746 2.415
73 HA ALA 11 HA ALA 11 -4.078 6.745 0.946
74 HB1 ALA 11 HB1 ALA 11 -3.344 8.996 0.397
75 HB2 ALA 11 HB2 ALA 11 -4.797 9.665 1.139
76 HB3 ALA 11 HB3 ALA 11 -4.926 8.666 -0.308
77 H CYS 12 HN CYS 12 -2.183 6.760 2.047
78 HA CYS 12 HA CYS 12 -2.302 7.571 4.866
79 HB2 CYS 12 HB2 CYS 12 -0.545 5.666 3.334
80 HB3 CYS 12 HB1 CYS 12 -0.127 6.197 4.960
81 H ALA 13 HN ALA 13 -1.599 9.563 5.261
82 HA ALA 13 HA ALA 13 0.944 10.442 4.082
83 HB1 ALA 13 HB1 ALA 13 -0.857 11.445 2.763
84 HB2 ALA 13 HB2 ALA 13 0.066 12.664 3.644
85 HB3 ALA 13 HB3 ALA 13 -1.523 12.168 4.229
86 H ASN 14 HN ASN 14 0.030 9.454 6.791
87 HA ASN 14 HA ASN 14 0.449 11.799 8.464
88 HB2 ASN 14 HB2 ASN 14 -0.355 8.970 9.118
89 HB3 ASN 14 HB1 ASN 14 0.003 10.169 10.357
90 HD21 ASN 14 HD21 ASN 14 -2.200 9.195 7.856
91 HD22 ASN 14 HD22 ASN 14 -3.495 10.247 8.306
92 H GLN 15 HN GLN 15 1.725 8.497 8.574
93 HA GLN 15 HA GLN 15 4.454 9.492 8.795
94 HB2 GLN 15 HB2 GLN 15 3.091 7.877 10.944
95 HB3 GLN 15 HB1 GLN 15 4.840 7.902 10.769
96 HG2 GLN 15 HG2 GLN 15 3.271 10.439 11.066
97 HG3 GLN 15 HG1 GLN 15 3.752 9.485 12.468
98 HE21 GLN 15 HE21 GLN 15 4.841 11.480 9.840
99 HE22 GLN 15 HE22 GLN 15 6.446 11.735 10.427
100 H LEU 16 HN LEU 16 2.241 6.846 8.405
101 HA LEU 16 HA LEU 16 4.383 5.159 7.317
102 HB2 LEU 16 HB2 LEU 16 2.725 3.269 7.566
103 HB3 LEU 16 HB1 LEU 16 3.266 3.979 9.068
104 HG LEU 16 HG LEU 16 0.653 4.806 7.830
105 HD11 LEU 16 HD11 LEU 16 -0.446 3.105 9.227
106 HD12 LEU 16 HD12 LEU 16 1.135 2.443 9.638
107 HD13 LEU 16 HD13 LEU 16 0.563 2.393 7.969
108 HD21 LEU 16 HD21 LEU 16 1.450 6.178 9.674
109 HD22 LEU 16 HD22 LEU 16 1.678 4.744 10.672
110 HD23 LEU 16 HD23 LEU 16 0.054 5.233 10.190
111 H CYS 17 HN CYS 17 2.992 3.446 5.666
112 HA CYS 17 HA CYS 17 1.583 5.098 3.725
113 HB2 CYS 17 HB2 CYS 17 3.110 4.134 1.887
114 HB3 CYS 17 HB1 CYS 17 3.765 5.425 2.888
115 H CYS 18 HN CYS 18 0.260 4.094 2.338
116 HA CYS 18 HA CYS 18 -0.186 1.219 2.823
117 HB2 CYS 18 HB2 CYS 18 -2.524 1.638 2.224
118 HB3 CYS 18 HB1 CYS 18 -2.019 2.752 3.491
119 H SER 19 HN SER 19 -1.107 -0.044 1.127
120 HA SER 19 HA SER 19 -0.309 0.764 -1.594
121 HB2 SER 19 HB2 SER 19 0.127 -1.704 -2.013
122 HB3 SER 19 HB1 SER 19 1.250 -0.952 -0.881
123 HG SER 19 HG SER 19 0.432 -2.991 -0.158
124 H GLN 20 HN GLN 20 -1.471 -1.045 -3.176
125 HA GLN 20 HA GLN 20 -4.313 -0.625 -2.732
126 HB2 GLN 20 HB2 GLN 20 -2.939 -0.361 -4.967
127 HB3 GLN 20 HB1 GLN 20 -3.219 -2.090 -5.110
128 HG2 GLN 20 HG2 GLN 20 -5.631 -1.708 -4.996
129 HG3 GLN 20 HG1 GLN 20 -5.348 0.026 -4.853
130 HE21 GLN 20 HE21 GLN 20 -5.268 -2.731 -6.962
131 HE22 GLN 20 HE22 GLN 20 -5.121 -1.852 -8.442
132 H TYR 21 HN TYR 21 -4.386 -2.042 -0.874
133 HA TYR 21 HA TYR 21 -5.163 -4.732 -1.551
134 HB2 TYR 21 HB2 TYR 21 -2.894 -5.305 -1.236
135 HB3 TYR 21 HB1 TYR 21 -2.695 -4.161 0.081
136 HD1 TYR 21 HD1 TYR 21 -4.080 -7.457 -0.831
137 HD2 TYR 21 HD2 TYR 21 -3.099 -4.807 2.342
138 HE1 TYR 21 HE1 TYR 21 -4.400 -9.287 0.779
139 HE2 TYR 21 HE2 TYR 21 -3.414 -6.630 3.967
140 HH TYR 21 HH TYR 21 -4.616 -8.769 4.123
141 H GLY 22 HN GLY 22 -4.289 -2.711 1.196
142 HA2 GLY 22 HA2 GLY 22 -6.442 -1.922 2.428
143 HA3 GLY 22 HA1 GLY 22 -6.645 -3.645 2.676
144 H PHE 23 HN PHE 23 -3.430 -2.314 2.629
145 HA PHE 23 HA PHE 23 -3.333 -2.323 5.549
146 HB2 PHE 23 HB2 PHE 23 -2.548 -4.537 4.405
147 HB3 PHE 23 HB1 PHE 23 -1.098 -3.621 4.043
148 HD1 PHE 23 HD1 PHE 23 -0.508 -2.133 6.463
149 HD2 PHE 23 HD2 PHE 23 -2.117 -6.058 6.047
150 HE1 PHE 23 HE1 PHE 23 0.362 -2.728 8.684
151 HE2 PHE 23 HE2 PHE 23 -1.249 -6.649 8.267
152 HZ PHE 23 HZ PHE 23 -0.008 -4.986 9.589
153 H CYS 24 HN CYS 24 -2.375 -0.602 6.330
154 HA CYS 24 HA CYS 24 -0.392 0.864 4.745
155 HB2 CYS 24 HB2 CYS 24 -2.520 2.011 5.594
156 HB3 CYS 24 HB1 CYS 24 -1.820 1.848 7.201
157 H GLY 25 HN GLY 25 1.619 1.390 5.662
158 HA2 GLY 25 HA2 GLY 25 2.449 1.149 8.281
159 HA3 GLY 25 HA1 GLY 25 2.616 -0.460 7.607
160 H SER 26 HN SER 26 4.737 -0.771 7.326
161 HA SER 26 HA SER 26 6.205 1.086 5.600
162 HB2 SER 26 HB2 SER 26 7.158 0.138 8.302
163 HB3 SER 26 HB1 SER 26 8.198 0.911 7.106
164 HG SER 26 HG SER 26 6.922 2.171 8.886
165 H THR 27 HN THR 27 5.652 -2.096 6.772
166 HA THR 27 HA THR 27 7.947 -3.468 5.916
167 HB THR 27 HB THR 27 5.206 -4.703 5.845
168 HG1 THR 27 HG1 THR 27 4.955 -4.094 7.847
169 HG21 THR 27 HG21 THR 27 7.098 -6.150 5.259
170 HG22 THR 27 HG22 THR 27 6.364 -6.653 6.781
171 HG23 THR 27 HG23 THR 27 7.880 -5.751 6.790
172 H SER 28 HN SER 28 8.088 -5.038 4.109
173 HA SER 28 HA SER 28 7.507 -3.757 1.603
174 HB2 SER 28 HB2 SER 28 8.878 -6.363 2.264
175 HB3 SER 28 HB1 SER 28 8.760 -5.688 0.641
176 HG SER 28 HG SER 28 9.683 -3.844 2.380
177 H GLU 29 HN GLU 29 5.148 -3.952 2.149
178 HA GLU 29 HA GLU 29 3.934 -5.973 0.501
179 HB2 GLU 29 HB2 GLU 29 3.398 -5.891 3.477
180 HB3 GLU 29 HB1 GLU 29 2.201 -6.501 2.347
181 HG2 GLU 29 HG2 GLU 29 4.982 -7.622 2.463
182 HG3 GLU 29 HG1 GLU 29 3.699 -8.191 3.529
183 H TYR 30 HN TYR 30 3.606 -3.378 2.787
184 HA TYR 30 HA TYR 30 1.223 -2.309 1.510
185 HB2 TYR 30 HB2 TYR 30 2.333 -0.654 3.621
186 HB3 TYR 30 HB1 TYR 30 0.740 -1.381 3.506
187 HD1 TYR 30 HD1 TYR 30 1.019 -4.190 3.840
188 HD2 TYR 30 HD2 TYR 30 3.405 -1.131 5.587
189 HE1 TYR 30 HE1 TYR 30 1.583 -5.698 5.695
190 HE2 TYR 30 HE2 TYR 30 3.974 -2.631 7.443
191 HH TYR 30 HH TYR 30 3.356 -5.965 7.372
192 H CYS 31 HN CYS 31 4.625 -1.841 1.667
193 HA CYS 31 HA CYS 31 4.457 0.306 -0.277
194 HB2 CYS 31 HB2 CYS 31 6.396 0.707 1.975
195 HB3 CYS 31 HB1 CYS 31 5.721 1.889 0.866
196 H SER 32 HN SER 32 5.345 -0.903 -1.891
197 HA SER 32 HA SER 32 8.152 -1.716 -1.466
198 HB2 SER 32 HB2 SER 32 6.078 -3.336 -2.942
199 HB3 SER 32 HB1 SER 32 7.793 -3.728 -2.836
200 HG SER 32 HG SER 32 5.886 -3.650 -0.744
201 H ARG 33 HN ARG 33 5.853 -0.218 -3.528
202 HA ARG 33 HA ARG 33 6.031 1.051 -5.400
203 HB2 ARG 33 HB2 ARG 33 9.002 0.572 -5.154
204 HB3 ARG 33 HB1 ARG 33 8.280 1.605 -6.375
205 HG2 ARG 33 HG2 ARG 33 7.745 2.105 -3.473
206 HG3 ARG 33 HG1 ARG 33 9.245 2.656 -4.214
207 HD2 ARG 33 HD2 ARG 33 6.524 3.327 -5.320
208 HD3 ARG 33 HD1 ARG 33 7.356 4.336 -4.139
209 HE ARG 33 HE ARG 33 9.106 3.892 -6.267
210 HH11 ARG 33 HH11 ARG 33 6.065 5.560 -5.709
211 HH12 ARG 33 HH12 ARG 33 6.350 6.735 -6.950
212 HH21 ARG 33 HH21 ARG 33 9.457 5.440 -7.885
213 HH22 ARG 33 HH22 ARG 33 8.270 6.666 -8.180
214 H ALA 34 HN ALA 34 8.014 -1.847 -5.584
215 HA ALA 34 HA ALA 34 7.416 -2.215 -8.405
216 HB1 ALA 34 HB1 ALA 34 9.006 -3.959 -6.530
217 HB2 ALA 34 HB2 ALA 34 9.669 -2.711 -7.584
218 HB3 ALA 34 HB3 ALA 34 8.904 -4.138 -8.281
219 H ASN 35 HN ASN 35 6.498 -3.484 -5.316
220 HA ASN 35 HA ASN 35 4.401 -5.115 -6.579
221 HB2 ASN 35 HB2 ASN 35 6.199 -5.901 -4.280
222 HB3 ASN 35 HB1 ASN 35 4.690 -6.734 -4.643
223 HD21 ASN 35 HD21 ASN 35 7.940 -6.094 -5.685
224 HD22 ASN 35 HD22 ASN 35 8.017 -7.337 -6.883
225 H GLY 36 HN GLY 36 5.264 -2.695 -4.411
226 HA2 GLY 36 HA2 GLY 36 2.538 -2.580 -3.341
227 HA3 GLY 36 HA1 GLY 36 3.877 -2.573 -2.201
228 H CYS 37 HN CYS 37 3.414 -0.544 -1.409
229 HA CYS 37 HA CYS 37 3.282 1.712 -1.230
230 HB2 CYS 37 HB2 CYS 37 5.667 1.632 -1.447
231 HB3 CYS 37 HB1 CYS 37 5.562 1.492 -3.196
232 H GLN 38 HN GLN 38 1.548 2.675 -1.784
233 HA GLN 38 HA GLN 38 1.172 3.479 -4.589
234 HB2 GLN 38 HB2 GLN 38 -1.020 2.619 -2.684
235 HB3 GLN 38 HB1 GLN 38 -1.238 3.144 -4.349
236 HG2 GLN 38 HG2 GLN 38 0.585 0.852 -3.859
237 HG3 GLN 38 HG1 GLN 38 -1.149 0.576 -3.682
238 HE21 GLN 38 HE21 GLN 38 1.424 1.359 -5.875
239 HE22 GLN 38 HE22 GLN 38 0.535 1.110 -7.334
240 H SER 39 HN SER 39 0.720 4.108 -1.175
241 HA SER 39 HA SER 39 -0.195 6.820 -1.602
242 HB2 SER 39 HB2 SER 39 -0.932 5.219 0.273
243 HB3 SER 39 HB1 SER 39 0.622 5.588 1.022
244 HG SER 39 HG SER 39 -1.396 7.457 0.319
245 H ASN 40 HN ASN 40 1.202 7.861 0.745
246 HA ASN 40 HA ASN 40 3.607 8.785 -0.555
247 HB2 ASN 40 HB2 ASN 40 1.843 10.067 0.928
248 HB3 ASN 40 HB1 ASN 40 2.858 9.501 2.249
249 HD21 ASN 40 HD21 ASN 40 2.673 11.550 -0.552
250 HD22 ASN 40 HD22 ASN 40 4.098 12.471 -0.226
251 H CYS 41 HN CYS 41 4.769 6.755 -0.563
252 HA CYS 41 HA CYS 41 5.735 5.884 2.052
253 HB2 CYS 41 HB2 CYS 41 6.326 3.816 1.128
254 HB3 CYS 41 HB1 CYS 41 4.837 4.222 0.287
255 H ARG 42 HN ARG 42 7.070 6.680 -1.111
256 HA ARG 42 HA ARG 42 9.662 7.258 0.134
257 HB2 ARG 42 HB2 ARG 42 8.837 6.218 -2.490
258 HB3 ARG 42 HB1 ARG 42 10.112 7.421 -2.562
259 HG2 ARG 42 HG2 ARG 42 11.297 5.444 -2.449
260 HG3 ARG 42 HG1 ARG 42 11.275 5.959 -0.765
261 HD2 ARG 42 HD2 ARG 42 9.242 4.044 -1.897
262 HD3 ARG 42 HD1 ARG 42 10.784 3.503 -1.236
263 HE ARG 42 HE ARG 42 9.359 5.192 0.576
264 HH11 ARG 42 HH11 ARG 42 9.567 1.880 -0.573
265 HH12 ARG 42 HH12 ARG 42 8.899 1.213 0.879
266 HH21 ARG 42 HH21 ARG 42 8.486 4.297 2.468
267 HH22 ARG 42 HH22 ARG 42 8.287 2.582 2.598
268 H GLY 43 HN GLY 43 7.044 8.692 -1.622
269 HA2 GLY 43 HA2 GLY 43 7.176 11.244 -0.907
270 HA3 GLY 43 HA1 GLY 43 8.481 11.190 -2.083