NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644221 |
6qbk   |
34345 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 11.673 -3.161 2.874
2 H2 SER 1 HT2 SER 1 11.780 -4.759 3.141
3 H3 SER 1 HT3 SER 1 10.483 -3.935 3.669
4 HA SER 1 HA SER 1 9.762 -3.470 1.471
5 HB2 SER 1 HB2 SER 1 11.025 -4.679 -0.385
6 HB3 SER 1 HB3 SER 1 11.832 -3.279 0.319
7 HG SER 1 HG SER 1 12.322 -6.001 1.000
8 H TYR 2 HN TYR 2 8.056 -4.628 2.333
9 HA TYR 2 HA TYR 2 7.878 -7.300 2.933
10 HB2 TYR 2 HB2 TYR 2 6.067 -5.756 3.389
11 HB3 TYR 2 HB3 TYR 2 5.786 -5.517 1.670
12 HD1 TYR 2 HD1 TYR 2 4.213 -6.824 0.557
13 HD2 TYR 2 HD2 TYR 2 5.706 -8.143 4.313
14 HE1 TYR 2 HE1 TYR 2 2.556 -8.641 0.571
15 HE2 TYR 2 HE2 TYR 2 4.057 -9.968 4.333
16 HH TYR 2 HH TYR 2 1.870 -10.481 3.325
17 H GLN 3 HN GLN 3 7.808 -5.816 -0.250
18 HA GLN 3 HA GLN 3 8.421 -8.392 -1.401
19 HB2 GLN 3 HB2 GLN 3 5.857 -8.027 -1.416
20 HB3 GLN 3 HB3 GLN 3 6.183 -6.837 -2.669
21 HG2 GLN 3 HG2 GLN 3 7.238 -8.542 -4.040
22 HG3 GLN 3 HG3 GLN 3 6.960 -9.744 -2.782
23 HE21 GLN 3 HE21 GLN 3 6.051 -9.768 -5.514
24 HE22 GLN 3 HE22 GLN 3 4.322 -9.829 -5.460
25 H ARG 4 HN ARG 4 10.395 -7.345 -1.640
26 HA ARG 4 HA ARG 4 12.018 -6.048 -2.455
27 HB2 ARG 4 HB2 ARG 4 12.253 -6.122 -4.832
28 HB3 ARG 4 HB3 ARG 4 11.638 -7.646 -4.249
29 HG2 ARG 4 HG2 ARG 4 9.466 -7.184 -5.092
30 HG3 ARG 4 HG3 ARG 4 9.904 -5.518 -5.471
31 HD2 ARG 4 HD2 ARG 4 11.434 -6.242 -7.171
32 HD3 ARG 4 HD3 ARG 4 11.217 -7.930 -6.713
33 HE ARG 4 HE ARG 4 8.793 -7.507 -7.420
34 HH11 ARG 4 HH11 ARG 4 11.566 -5.948 -8.897
35 HH12 ARG 4 HH12 ARG 4 10.809 -5.791 -10.448
36 HH21 ARG 4 HH21 ARG 4 7.804 -7.320 -9.471
37 HH22 ARG 4 HH22 ARG 4 8.674 -6.580 -10.778
38 H ILE 5 HN ILE 5 12.451 -4.276 -4.334
39 HA ILE 5 HA ILE 5 10.752 -1.972 -3.618
40 HB ILE 5 HB ILE 5 13.760 -2.138 -3.868
41 HG12 ILE 5 HG12 ILE 5 11.983 -1.265 -1.581
42 HG13 ILE 5 HG11 ILE 5 12.803 -2.818 -1.700
43 HG21 ILE 5 HG21 ILE 5 13.821 0.277 -3.463
44 HG22 ILE 5 HG22 ILE 5 12.062 0.333 -3.573
45 HG23 ILE 5 HG23 ILE 5 13.019 -0.117 -4.984
46 HD11 ILE 5 HD11 ILE 5 13.977 -1.298 -0.214
47 HD12 ILE 5 HD12 ILE 5 14.141 -0.127 -1.523
48 HD13 ILE 5 HD13 ILE 5 14.960 -1.686 -1.625
49 H ARG 6 HN ARG 6 9.875 -0.981 -5.358
50 HA ARG 6 HA ARG 6 11.264 -1.252 -7.915
51 HB2 ARG 6 HB2 ARG 6 8.691 -1.178 -8.748
52 HB3 ARG 6 HB3 ARG 6 9.638 -2.632 -8.526
53 HG2 ARG 6 HG2 ARG 6 8.026 -1.589 -6.250
54 HG3 ARG 6 HG3 ARG 6 7.239 -2.482 -7.555
55 HD2 ARG 6 HD2 ARG 6 9.038 -4.255 -7.197
56 HD3 ARG 6 HD3 ARG 6 9.413 -3.408 -5.700
57 HE ARG 6 HE ARG 6 7.528 -4.287 -4.753
58 HH11 ARG 6 HH11 ARG 6 7.339 -4.702 -8.225
59 HH12 ARG 6 HH12 ARG 6 6.064 -5.876 -8.147
60 HH21 ARG 6 HH21 ARG 6 5.835 -5.864 -4.664
61 HH22 ARG 6 HH22 ARG 6 5.203 -6.516 -6.139
62 H SER 7 HN SER 7 8.200 0.400 -7.151
63 HA SER 7 HA SER 7 8.787 2.495 -8.924
64 HB2 SER 7 HB2 SER 7 6.765 2.531 -6.675
65 HB3 SER 7 HB3 SER 7 6.735 3.505 -8.144
66 HG SER 7 HG SER 7 5.436 1.866 -8.656
67 H ASP 8 HN ASP 8 9.328 2.147 -5.506
68 HA ASP 8 HA ASP 8 11.087 4.423 -5.456
69 HB2 ASP 8 HB2 ASP 8 8.647 5.265 -4.972
70 HB3 ASP 8 HB3 ASP 8 8.874 4.446 -3.428
71 H HIS 9 HN HIS 9 11.721 4.632 -2.903
72 HA HIS 9 HA HIS 9 12.867 2.145 -2.276
73 HB2 HIS 9 HB2 HIS 9 13.875 4.257 -1.542
74 HB3 HIS 9 HB3 HIS 9 12.487 4.571 -0.507
75 HD1 HIS 9 HD1 HIS 9 15.580 2.463 -0.746
76 HD2 HIS 9 HD2 HIS 9 12.472 3.179 1.922
77 HE1 HIS 9 HE1 HIS 9 16.287 1.401 1.421
78 HE2 HIS 9 HE2 HIS 9 14.450 1.951 3.052
79 H ASP 10 HN ASP 10 10.011 3.803 -1.095
80 HA ASP 10 HA ASP 10 9.445 1.564 0.696
81 HB2 ASP 10 HB2 ASP 10 8.222 4.320 0.521
82 HB3 ASP 10 HB3 ASP 10 7.716 3.078 1.657
83 H SER 11 HN SER 11 8.766 2.413 -2.408
84 HA SER 11 HA SER 11 5.921 1.861 -2.348
85 HB2 SER 11 HB2 SER 11 7.109 3.543 -3.905
86 HB3 SER 11 HB3 SER 11 7.560 2.129 -4.848
87 HG SER 11 HG SER 11 4.900 2.833 -4.133
88 H HIS 12 HN HIS 12 5.396 -0.171 -2.006
89 HA HIS 12 HA HIS 12 6.160 -2.149 -3.965
90 HB2 HIS 12 HB2 HIS 12 6.796 -3.839 -2.281
91 HB3 HIS 12 HB3 HIS 12 7.910 -2.480 -2.292
92 HD1 HIS 12 HD1 HIS 12 5.287 -4.146 -0.176
93 HD2 HIS 12 HD2 HIS 12 7.969 -0.982 0.092
94 HE1 HIS 12 HE1 HIS 12 5.378 -3.522 2.262
95 HE2 HIS 12 HE2 HIS 12 7.148 -1.744 2.416
96 H SER 13 HN SER 13 4.934 -4.241 -3.457
97 HA SER 13 HA SER 13 2.195 -3.611 -2.922
98 HB2 SER 13 HB2 SER 13 1.989 -6.163 -3.267
99 HB3 SER 13 HB3 SER 13 2.528 -5.190 -4.637
100 HG SER 13 HG SER 13 3.772 -7.230 -3.585
101 H CYS 14 HN CYS 14 0.908 -4.465 -1.289
102 HA CYS 14 HA CYS 14 2.188 -5.949 0.874
103 HB2 CYS 14 HB2 CYS 14 1.166 -4.466 2.570
104 HB3 CYS 14 HB3 CYS 14 2.382 -3.643 1.605
105 H ALA 15 HN ALA 15 0.415 -6.587 2.497
106 HA ALA 15 HA ALA 15 -1.462 -7.777 2.925
107 HB1 ALA 15 HB1 ALA 15 -3.573 -6.772 2.259
108 HB2 ALA 15 HB2 ALA 15 -2.727 -5.745 1.101
109 HB3 ALA 15 HB3 ALA 15 -2.438 -5.549 2.831
110 H ASN 16 HN ASN 16 0.131 -8.595 0.555
111 HA ASN 16 HA ASN 16 0.091 -10.120 -1.107
112 HB2 ASN 16 HB2 ASN 16 -2.405 -10.891 0.368
113 HB3 ASN 16 HB3 ASN 16 -1.904 -11.746 -1.088
114 HD21 ASN 16 HD21 ASN 16 -1.232 -11.131 2.251
115 HD22 ASN 16 HD22 ASN 16 -0.005 -12.338 2.439
116 H ASN 17 HN ASN 17 -0.124 -8.141 -2.404
117 HA ASN 17 HA ASN 17 -0.855 -7.213 -4.362
118 HB2 ASN 17 HB2 ASN 17 -1.802 -8.801 -5.648
119 HB3 ASN 17 HB3 ASN 17 -2.506 -9.617 -4.256
120 HD21 ASN 17 HD21 ASN 17 -4.519 -8.838 -3.448
121 HD22 ASN 17 HD22 ASN 17 -5.630 -7.971 -4.465
122 H ARG 18 HN ARG 18 -3.093 -7.685 -1.726
123 HA ARG 18 HA ARG 18 -5.063 -5.884 -2.680
124 HB2 ARG 18 HB2 ARG 18 -4.611 -7.183 0.003
125 HB3 ARG 18 HB3 ARG 18 -5.996 -6.161 -0.353
126 HG2 ARG 18 HG2 ARG 18 -7.034 -7.989 -1.046
127 HG3 ARG 18 HG3 ARG 18 -5.950 -7.997 -2.423
128 HD2 ARG 18 HD2 ARG 18 -5.826 -10.152 -1.495
129 HD3 ARG 18 HD3 ARG 18 -4.350 -9.321 -1.002
130 HE ARG 18 HE ARG 18 -5.217 -9.136 1.185
131 HH11 ARG 18 HH11 ARG 18 -7.231 -11.044 -0.953
132 HH12 ARG 18 HH12 ARG 18 -8.074 -11.837 0.340
133 HH21 ARG 18 HH21 ARG 18 -6.328 -10.189 2.891
134 HH22 ARG 18 HH22 ARG 18 -7.560 -11.353 2.521
135 H GLY 19 HN GLY 19 -2.180 -4.975 -2.054
136 HA2 GLY 19 HA2 GLY 19 -2.912 -2.389 -0.946
137 HA3 GLY 19 HA1 GLY 19 -1.835 -3.363 0.035
138 H TRP 20 HN TRP 20 -1.544 -0.787 -1.679
139 HA TRP 20 HA TRP 20 1.147 -1.589 -2.518
140 HB2 TRP 20 HB2 TRP 20 -0.286 -1.322 -4.588
141 HB3 TRP 20 HB3 TRP 20 -0.466 0.377 -4.150
142 HD1 TRP 20 HD1 TRP 20 1.624 1.962 -4.489
143 HE1 TRP 20 HE1 TRP 20 3.897 1.681 -5.614
144 HE3 TRP 20 HE3 TRP 20 1.539 -3.097 -5.163
145 HZ2 TRP 20 HZ2 TRP 20 5.463 -0.437 -6.654
146 HZ3 TRP 20 HZ3 TRP 20 3.474 -4.168 -6.238
147 HH2 TRP 20 HH2 TRP 20 5.387 -2.863 -6.977
148 H CYS 21 HN CYS 21 2.688 -0.272 -1.835
149 HA CYS 21 HA CYS 21 1.984 1.800 0.008
150 HB2 CYS 21 HB2 CYS 21 4.728 1.114 -1.018
151 HB3 CYS 21 HB3 CYS 21 4.311 1.905 0.497
152 H ARG 22 HN ARG 22 1.383 3.709 -0.631
153 HA ARG 22 HA ARG 22 2.967 5.096 -2.687
154 HB2 ARG 22 HB2 ARG 22 -0.038 5.163 -2.359
155 HB3 ARG 22 HB3 ARG 22 0.863 6.226 -3.417
156 HG2 ARG 22 HG2 ARG 22 1.571 4.309 -4.734
157 HG3 ARG 22 HG3 ARG 22 0.700 3.238 -3.633
158 HD2 ARG 22 HD2 ARG 22 -0.452 3.929 -5.829
159 HD3 ARG 22 HD3 ARG 22 -1.382 3.992 -4.331
160 HE ARG 22 HE ARG 22 -1.565 6.249 -4.583
161 HH11 ARG 22 HH11 ARG 22 1.014 5.120 -6.661
162 HH12 ARG 22 HH12 ARG 22 1.326 6.683 -7.342
163 HH21 ARG 22 HH21 ARG 22 -1.155 8.321 -5.480
164 HH22 ARG 22 HH22 ARG 22 0.090 8.502 -6.677
165 HA PRO 23 HA PRO 23 3.062 8.297 0.399
166 HB2 PRO 23 HB2 PRO 23 3.343 10.513 -1.174
167 HB3 PRO 23 HB3 PRO 23 4.659 9.403 -0.792
168 HG2 PRO 23 HG2 PRO 23 3.117 9.710 -3.290
169 HG3 PRO 23 HG3 PRO 23 4.771 9.134 -3.045
170 HD2 PRO 23 HD2 PRO 23 2.533 7.543 -3.559
171 HD3 PRO 23 HD3 PRO 23 4.098 6.979 -2.950
172 H THR 24 HN THR 24 0.699 8.228 -2.064
173 HA THR 24 HA THR 24 -1.258 9.366 -0.319
174 HB THR 24 HB THR 24 -0.448 11.443 -1.239
175 HG1 THR 24 HG1 THR 24 -2.609 11.474 -2.836
176 HG21 THR 24 HG21 THR 24 -0.908 10.203 -3.948
177 HG22 THR 24 HG22 THR 24 0.649 10.619 -3.234
178 HG23 THR 24 HG23 THR 24 -0.494 11.892 -3.660
179 H CYS 25 HN CYS 25 -3.264 8.586 -0.768
180 HA CYS 25 HA CYS 25 -3.302 6.397 -2.685
181 HB2 CYS 25 HB2 CYS 25 -5.268 7.147 -0.512
182 HB3 CYS 25 HB3 CYS 25 -5.254 5.642 -1.425
183 H PHE 26 HN PHE 26 -4.868 6.108 -4.264
184 HA PHE 26 HA PHE 26 -6.055 8.519 -5.315
185 HB2 PHE 26 HB2 PHE 26 -6.314 5.650 -6.230
186 HB3 PHE 26 HB3 PHE 26 -6.904 7.057 -7.112
187 HD1 PHE 26 HD1 PHE 26 -4.298 4.773 -6.827
188 HD2 PHE 26 HD2 PHE 26 -5.048 8.897 -7.546
189 HE1 PHE 26 HE1 PHE 26 -2.122 4.969 -7.948
190 HE2 PHE 26 HE2 PHE 26 -2.871 9.102 -8.665
191 HZ PHE 26 HZ PHE 26 -1.400 7.133 -8.860
192 H SER 27 HN SER 27 -8.441 8.290 -6.123
193 HA SER 27 HA SER 27 -10.072 8.150 -3.829
194 HB2 SER 27 HB2 SER 27 -10.962 8.110 -6.717
195 HB3 SER 27 HB3 SER 27 -11.926 8.599 -5.324
196 HG SER 27 HG SER 27 -9.787 10.060 -5.188
197 H HIS 28 HN HIS 28 -9.413 5.879 -6.407
198 HA HIS 28 HA HIS 28 -11.464 4.090 -5.495
199 HB2 HIS 28 HB2 HIS 28 -10.866 2.657 -7.313
200 HB3 HIS 28 HB3 HIS 28 -10.797 4.307 -7.915
201 HD1 HIS 28 HD1 HIS 28 -9.022 1.304 -8.227
202 HD2 HIS 28 HD2 HIS 28 -7.847 5.237 -7.579
203 HE1 HIS 28 HE1 HIS 28 -6.616 1.417 -8.933
204 HE2 HIS 28 HE2 HIS 28 -6.005 3.848 -8.748
205 H GLU 29 HN GLU 29 -8.832 4.836 -3.959
206 HA GLU 29 HA GLU 29 -8.344 2.071 -3.064
207 HB2 GLU 29 HB2 GLU 29 -6.327 4.312 -3.072
208 HB3 GLU 29 HB3 GLU 29 -6.045 2.647 -2.592
209 HG2 GLU 29 HG2 GLU 29 -6.314 1.893 -4.847
210 HG3 GLU 29 HG3 GLU 29 -6.812 3.501 -5.372
211 H TYR 30 HN TYR 30 -7.100 2.303 -0.809
212 HA TYR 30 HA TYR 30 -8.020 4.548 0.773
213 HB2 TYR 30 HB2 TYR 30 -9.182 3.215 2.427
214 HB3 TYR 30 HB3 TYR 30 -9.914 2.950 0.853
215 HD1 TYR 30 HD1 TYR 30 -9.826 0.762 -0.214
216 HD2 TYR 30 HD2 TYR 30 -7.880 1.455 3.516
217 HE1 TYR 30 HE1 TYR 30 -9.629 -1.667 0.133
218 HE2 TYR 30 HE2 TYR 30 -7.660 -0.959 3.863
219 HH TYR 30 HH TYR 30 -8.616 -2.997 3.179
220 H THR 31 HN THR 31 -7.051 4.531 2.952
221 HA THR 31 HA THR 31 -4.327 3.547 2.760
222 HB THR 31 HB THR 31 -5.591 5.259 4.909
223 HG1 THR 31 HG1 THR 31 -4.674 5.810 2.354
224 HG21 THR 31 HG21 THR 31 -3.234 5.920 5.349
225 HG22 THR 31 HG22 THR 31 -2.713 4.681 4.206
226 HG23 THR 31 HG23 THR 31 -3.555 4.218 5.685
227 H ASP 32 HN ASP 32 -3.927 1.561 3.413
228 HA ASP 32 HA ASP 32 -5.294 0.430 5.732
229 HB2 ASP 32 HB2 ASP 32 -4.870 -0.933 3.677
230 HB3 ASP 32 HB3 ASP 32 -3.165 -0.795 3.989
231 H TRP 33 HN TRP 33 -4.488 0.813 7.672
232 HA TRP 33 HA TRP 33 -1.902 2.020 7.909
233 HB2 TRP 33 HB2 TRP 33 -4.162 1.520 9.824
234 HB3 TRP 33 HB3 TRP 33 -2.619 2.193 10.349
235 HD1 TRP 33 HD1 TRP 33 -5.826 3.176 8.618
236 HE1 TRP 33 HE1 TRP 33 -5.718 5.656 7.947
237 HE3 TRP 33 HE3 TRP 33 -0.893 4.021 9.569
238 HZ2 TRP 33 HZ2 TRP 33 -3.763 7.702 7.813
239 HZ3 TRP 33 HZ3 TRP 33 0.033 6.261 9.126
240 HH2 TRP 33 HH2 TRP 33 -1.372 8.053 8.252
241 H PHE 34 HN PHE 34 -3.237 -1.097 8.323
242 HA PHE 34 HA PHE 34 -1.337 -2.216 10.087
243 HB2 PHE 34 HB2 PHE 34 -3.505 -3.283 9.352
244 HB3 PHE 34 HB3 PHE 34 -2.764 -3.578 7.776
245 HD1 PHE 34 HD1 PHE 34 -2.768 -4.504 11.325
246 HD2 PHE 34 HD2 PHE 34 -1.155 -5.325 7.477
247 HE1 PHE 34 HE1 PHE 34 -1.885 -6.644 12.157
248 HE2 PHE 34 HE2 PHE 34 -0.269 -7.465 8.301
249 HZ PHE 34 HZ PHE 34 -0.633 -8.128 10.644
250 H ASN 35 HN ASN 35 -1.599 -2.336 6.562
251 HA ASN 35 HA ASN 35 1.097 -3.273 6.295
252 HB2 ASN 35 HB2 ASN 35 -1.013 -2.469 4.309
253 HB3 ASN 35 HB3 ASN 35 0.610 -2.935 3.827
254 HD21 ASN 35 HD21 ASN 35 -2.387 -3.982 5.148
255 HD22 ASN 35 HD22 ASN 35 -2.100 -5.685 5.019
256 H ASN 36 HN ASN 36 -0.267 -0.213 6.762
257 HA ASN 36 HA ASN 36 1.534 1.426 5.403
258 HB2 ASN 36 HB2 ASN 36 -0.096 1.704 7.828
259 HB3 ASN 36 HB3 ASN 36 1.383 2.651 7.874
260 HD21 ASN 36 HD21 ASN 36 0.768 4.653 7.498
261 HD22 ASN 36 HD22 ASN 36 -0.185 5.176 6.154
262 H ASP 37 HN ASP 37 1.807 -0.392 8.382
263 HA ASP 37 HA ASP 37 4.353 0.509 9.176
264 HB2 ASP 37 HB2 ASP 37 2.817 -0.678 10.686
265 HB3 ASP 37 HB3 ASP 37 3.031 -2.142 9.737
266 H VAL 38 HN VAL 38 3.331 -2.239 7.155
267 HA VAL 38 HA VAL 38 6.015 -3.180 6.775
268 HB VAL 38 HB VAL 38 5.231 -4.685 5.168
269 HG11 VAL 38 HG11 VAL 38 4.425 -5.221 7.374
270 HG12 VAL 38 HG12 VAL 38 3.227 -5.700 6.171
271 HG13 VAL 38 HG13 VAL 38 2.987 -4.233 7.120
272 HG21 VAL 38 HG21 VAL 38 3.122 -4.551 3.975
273 HG22 VAL 38 HG22 VAL 38 4.090 -3.100 3.696
274 HG23 VAL 38 HG23 VAL 38 2.727 -3.049 4.817
275 H CYS 39 HN CYS 39 4.128 -0.732 5.328
276 HA CYS 39 HA CYS 39 5.602 -0.487 2.906
277 HB2 CYS 39 HB2 CYS 39 3.618 1.287 4.308
278 HB3 CYS 39 HB3 CYS 39 4.404 1.765 2.806
279 H GLY 40 HN GLY 40 5.921 0.902 6.103
280 HA2 GLY 40 HA2 GLY 40 7.915 1.846 6.928
281 HA3 GLY 40 HA1 GLY 40 8.481 2.026 5.277
282 H SER 41 HN SER 41 8.423 3.977 4.403
283 HA SER 41 HA SER 41 7.329 6.134 6.016
284 HB2 SER 41 HB2 SER 41 9.627 6.242 5.089
285 HB3 SER 41 HB3 SER 41 8.949 6.245 3.462
286 HG SER 41 HG SER 41 8.113 8.238 3.790
287 H TYR 42 HN TYR 42 6.261 4.204 3.528
288 HA TYR 42 HA TYR 42 4.420 6.241 2.478
289 HB2 TYR 42 HB2 TYR 42 5.369 3.589 1.470
290 HB3 TYR 42 HB3 TYR 42 3.792 4.176 0.966
291 HD1 TYR 42 HD1 TYR 42 5.561 7.096 1.371
292 HD2 TYR 42 HD2 TYR 42 5.436 3.690 -1.166
293 HE1 TYR 42 HE1 TYR 42 6.586 8.404 -0.417
294 HE2 TYR 42 HE2 TYR 42 6.470 4.986 -2.962
295 HH TYR 42 HH TYR 42 7.928 8.001 -2.457
296 H ARG 43 HN ARG 43 2.265 5.071 1.831
297 HA ARG 43 HA ARG 43 1.269 3.668 4.210
298 HB2 ARG 43 HB2 ARG 43 -0.806 4.949 4.016
299 HB3 ARG 43 HB3 ARG 43 0.565 6.026 4.222
300 HG2 ARG 43 HG2 ARG 43 0.500 6.088 1.600
301 HG3 ARG 43 HG3 ARG 43 -1.173 5.595 1.863
302 HD2 ARG 43 HD2 ARG 43 -0.969 8.016 1.693
303 HD3 ARG 43 HD3 ARG 43 -1.547 7.519 3.281
304 HE ARG 43 HE ARG 43 1.316 8.048 2.951
305 HH11 ARG 43 HH11 ARG 43 -1.816 9.055 4.177
306 HH12 ARG 43 HH12 ARG 43 -1.149 10.232 5.265
307 HH21 ARG 43 HH21 ARG 43 2.185 9.602 4.390
308 HH22 ARG 43 HH22 ARG 43 1.119 10.539 5.390
309 H CYS 44 HN CYS 44 -0.365 2.089 3.810
310 HA CYS 44 HA CYS 44 0.036 0.888 1.212
311 HB2 CYS 44 HB2 CYS 44 0.090 -0.560 3.117
312 HB3 CYS 44 HB3 CYS 44 -1.487 -0.048 3.645
313 H CYS 45 HN CYS 45 -1.004 2.039 -0.285
314 HA CYS 45 HA CYS 45 -3.770 2.764 -0.002
315 HB2 CYS 45 HB2 CYS 45 -1.922 2.851 -2.397
316 HB3 CYS 45 HB3 CYS 45 -3.518 3.596 -2.305
317 H ARG 46 HN ARG 46 -4.842 0.889 0.326
318 HA ARG 46 HA ARG 46 -4.544 -1.365 -1.442
319 HB2 ARG 46 HB2 ARG 46 -6.579 -0.797 0.718
320 HB3 ARG 46 HB3 ARG 46 -6.389 -2.332 -0.117
321 HG2 ARG 46 HG2 ARG 46 -4.066 -2.444 0.776
322 HG3 ARG 46 HG3 ARG 46 -4.423 -1.003 1.729
323 HD2 ARG 46 HD2 ARG 46 -4.799 -2.785 3.195
324 HD3 ARG 46 HD3 ARG 46 -6.410 -2.318 2.648
325 HE ARG 46 HE ARG 46 -5.665 -4.306 0.946
326 HH11 ARG 46 HH11 ARG 46 -5.827 -3.968 4.427
327 HH12 ARG 46 HH12 ARG 46 -6.217 -5.639 4.703
328 HH21 ARG 46 HH21 ARG 46 -6.185 -6.525 1.321
329 HH22 ARG 46 HH22 ARG 46 -6.426 -7.088 2.941
330 HA PRO 47 HA PRO 47 -7.523 -0.066 -4.536
331 HB2 PRO 47 HB2 PRO 47 -7.895 -3.027 -4.610
332 HB3 PRO 47 HB3 PRO 47 -7.630 -1.899 -5.942
333 HG2 PRO 47 HG2 PRO 47 -5.671 -3.508 -5.067
334 HG3 PRO 47 HG3 PRO 47 -5.341 -1.857 -5.629
335 HD2 PRO 47 HD2 PRO 47 -5.394 -2.944 -2.866
336 HD3 PRO 47 HD3 PRO 47 -4.430 -1.617 -3.542
337 H GLY 48 HN GLY 48 -9.589 0.522 -4.078
338 HA2 GLY 48 HA2 GLY 48 -10.864 -0.226 -1.690
339 HA3 GLY 48 HA1 GLY 48 -11.630 0.618 -3.025
340 H ARG 49 HN ARG 49 -10.489 -2.165 -4.283
341 HA ARG 49 HA ARG 49 -12.728 -3.837 -3.436
342 HB2 ARG 49 HB2 ARG 49 -12.745 -4.578 -5.980
343 HB3 ARG 49 HB3 ARG 49 -13.723 -3.240 -5.404
344 HG2 ARG 49 HG2 ARG 49 -12.655 -2.693 -7.506
345 HG3 ARG 49 HG3 ARG 49 -12.052 -1.658 -6.215
346 HD2 ARG 49 HD2 ARG 49 -10.256 -2.385 -7.691
347 HD3 ARG 49 HD3 ARG 49 -10.032 -3.008 -6.059
348 HE ARG 49 HE ARG 49 -11.328 -5.021 -7.366
349 HH11 ARG 49 HH11 ARG 49 -8.424 -3.174 -8.006
350 HH12 ARG 49 HH12 ARG 49 -7.596 -4.497 -8.763
351 HH21 ARG 49 HH21 ARG 49 -10.238 -6.765 -8.369
352 HH22 ARG 49 HH22 ARG 49 -8.623 -6.536 -8.970
353 H AAR 50 HN AAR 50 -9.905 -3.801 -2.805
354 HA AAR 50 HA AAR 50 -8.252 -5.451 -4.144
355 HB2 AAR 50 HB2 AAR 50 -7.474 -6.112 -1.689
356 HB3 AAR 50 HB3 AAR 50 -7.126 -4.559 -2.418
357 HG2 AAR 50 HG2 AAR 50 -7.818 -4.153 -0.196
358 HG3 AAR 50 HG3 AAR 50 -9.138 -3.647 -1.241
359 HD2 AAR 50 HD2 AAR 50 -10.376 -5.647 -0.721
360 HD3 AAR 50 HD3 AAR 50 -9.016 -6.295 0.199
361 HE AAR 50 HE AAR 50 -9.513 -3.949 1.449
362 HH11 AAR 50 HH21 AAR 50 -10.997 -3.620 3.167
363 HH12 AAR 50 HH22 AAR 50 -12.345 -4.695 3.356
364 HH21 AAR 50 HH11 AAR 50 -11.564 -6.658 0.561
365 HH22 AAR 50 HH12 AAR 50 -12.673 -6.407 1.869
366 HNT1 AAR 50 HNT1 AAR 50 -8.782 -7.318 -5.075
367 HNT2 AAR 50 HNT2 AAR 50 -9.448 -8.697 -4.242
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 11.189 -4.877 3.711
2 H2 SER 1 HT2 SER 1 9.818 -4.011 3.759
3 H3 SER 1 HT3 SER 1 11.162 -3.358 3.133
4 HA SER 1 HA SER 1 9.697 -3.957 1.374
5 HB2 SER 1 HB2 SER 1 11.292 -5.574 0.201
6 HB3 SER 1 HB3 SER 1 11.999 -4.069 0.788
7 HG SER 1 HG SER 1 12.186 -6.661 1.924
8 H TYR 2 HN TYR 2 7.809 -4.896 2.525
9 HA TYR 2 HA TYR 2 7.339 -7.538 3.095
10 HB2 TYR 2 HB2 TYR 2 5.678 -5.681 3.249
11 HB3 TYR 2 HB3 TYR 2 5.517 -5.713 1.501
12 HD1 TYR 2 HD1 TYR 2 4.349 -7.568 0.394
13 HD2 TYR 2 HD2 TYR 2 4.632 -7.350 4.634
14 HE1 TYR 2 HE1 TYR 2 2.537 -9.217 0.596
15 HE2 TYR 2 HE2 TYR 2 2.822 -9.000 4.845
16 HH TYR 2 HH TYR 2 1.748 -10.888 2.288
17 H GLN 3 HN GLN 3 7.178 -5.985 -0.070
18 HA GLN 3 HA GLN 3 8.067 -8.485 -1.293
19 HB2 GLN 3 HB2 GLN 3 5.615 -7.616 -1.793
20 HB3 GLN 3 HB3 GLN 3 6.446 -6.449 -2.804
21 HG2 GLN 3 HG2 GLN 3 5.700 -8.281 -4.148
22 HG3 GLN 3 HG3 GLN 3 7.456 -8.307 -4.070
23 HE21 GLN 3 HE21 GLN 3 5.540 -10.431 -4.682
24 HE22 GLN 3 HE22 GLN 3 5.862 -11.700 -3.553
25 H ARG 4 HN ARG 4 9.233 -7.757 -3.486
26 HA ARG 4 HA ARG 4 11.414 -6.234 -2.790
27 HB2 ARG 4 HB2 ARG 4 11.904 -6.113 -5.221
28 HB3 ARG 4 HB3 ARG 4 11.529 -7.725 -4.642
29 HG2 ARG 4 HG2 ARG 4 10.318 -7.692 -6.559
30 HG3 ARG 4 HG3 ARG 4 9.113 -7.106 -5.431
31 HD2 ARG 4 HD2 ARG 4 9.415 -5.868 -7.675
32 HD3 ARG 4 HD3 ARG 4 9.242 -4.926 -6.199
33 HE ARG 4 HE ARG 4 11.695 -4.654 -6.253
34 HH11 ARG 4 HH11 ARG 4 10.065 -5.562 -9.222
35 HH12 ARG 4 HH12 ARG 4 11.217 -4.762 -10.243
36 HH21 ARG 4 HH21 ARG 4 13.202 -3.604 -7.593
37 HH22 ARG 4 HH22 ARG 4 13.000 -3.650 -9.317
38 H ILE 5 HN ILE 5 12.211 -4.227 -3.807
39 HA ILE 5 HA ILE 5 10.215 -2.129 -3.388
40 HB ILE 5 HB ILE 5 13.238 -2.060 -3.381
41 HG12 ILE 5 HG12 ILE 5 12.264 -3.170 -1.426
42 HG13 ILE 5 HG11 ILE 5 13.003 -1.639 -0.977
43 HG21 ILE 5 HG21 ILE 5 13.055 0.239 -2.594
44 HG22 ILE 5 HG22 ILE 5 11.305 0.169 -2.799
45 HG23 ILE 5 HG23 ILE 5 12.362 0.045 -4.204
46 HD11 ILE 5 HD11 ILE 5 10.771 -0.604 -0.960
47 HD12 ILE 5 HD12 ILE 5 10.924 -1.930 0.192
48 HD13 ILE 5 HD13 ILE 5 10.065 -2.179 -1.327
49 H ARG 6 HN ARG 6 9.503 -0.893 -5.066
50 HA ARG 6 HA ARG 6 10.805 -1.426 -7.646
51 HB2 ARG 6 HB2 ARG 6 7.925 -0.700 -7.141
52 HB3 ARG 6 HB3 ARG 6 8.633 -1.079 -8.689
53 HG2 ARG 6 HG2 ARG 6 7.636 -3.059 -8.192
54 HG3 ARG 6 HG3 ARG 6 9.226 -3.334 -7.474
55 HD2 ARG 6 HD2 ARG 6 8.372 -2.584 -5.312
56 HD3 ARG 6 HD3 ARG 6 6.781 -2.338 -6.018
57 HE ARG 6 HE ARG 6 7.796 -4.717 -4.975
58 HH11 ARG 6 HH11 ARG 6 6.045 -3.704 -7.863
59 HH12 ARG 6 HH12 ARG 6 5.213 -5.217 -8.026
60 HH21 ARG 6 HH21 ARG 6 6.676 -6.690 -5.224
61 HH22 ARG 6 HH22 ARG 6 5.571 -6.898 -6.544
62 H SER 7 HN SER 7 8.419 1.080 -6.805
63 HA SER 7 HA SER 7 9.640 2.767 -8.763
64 HB2 SER 7 HB2 SER 7 7.326 3.392 -6.926
65 HB3 SER 7 HB3 SER 7 7.719 4.185 -8.452
66 HG SER 7 HG SER 7 7.514 1.912 -9.319
67 H ASP 8 HN ASP 8 9.674 2.672 -5.274
68 HA ASP 8 HA ASP 8 11.497 4.918 -5.200
69 HB2 ASP 8 HB2 ASP 8 8.993 5.733 -5.047
70 HB3 ASP 8 HB3 ASP 8 9.149 5.158 -3.390
71 H HIS 9 HN HIS 9 11.437 5.454 -2.505
72 HA HIS 9 HA HIS 9 13.224 3.595 -1.587
73 HB2 HIS 9 HB2 HIS 9 11.485 5.516 -0.048
74 HB3 HIS 9 HB3 HIS 9 12.839 4.647 0.641
75 HD1 HIS 9 HD1 HIS 9 12.026 7.423 -1.743
76 HD2 HIS 9 HD2 HIS 9 15.354 5.670 0.041
77 HE1 HIS 9 HE1 HIS 9 13.939 9.003 -2.164
78 HE2 HIS 9 HE2 HIS 9 15.920 7.963 -1.011
79 H ASP 10 HN ASP 10 9.757 3.757 -1.018
80 HA ASP 10 HA ASP 10 9.907 1.104 0.239
81 HB2 ASP 10 HB2 ASP 10 8.575 3.575 1.262
82 HB3 ASP 10 HB3 ASP 10 7.857 2.010 1.606
83 H SER 11 HN SER 11 9.001 2.371 -2.455
84 HA SER 11 HA SER 11 6.161 1.949 -2.448
85 HB2 SER 11 HB2 SER 11 7.321 3.634 -3.910
86 HB3 SER 11 HB3 SER 11 7.959 2.290 -4.842
87 HG SER 11 HG SER 11 5.455 3.385 -4.833
88 H HIS 12 HN HIS 12 5.626 -0.106 -2.010
89 HA HIS 12 HA HIS 12 6.184 -2.059 -4.078
90 HB2 HIS 12 HB2 HIS 12 6.702 -3.840 -2.450
91 HB3 HIS 12 HB3 HIS 12 7.919 -2.575 -2.461
92 HD1 HIS 12 HD1 HIS 12 5.126 -3.974 -0.314
93 HD2 HIS 12 HD2 HIS 12 8.278 -1.275 -0.026
94 HE1 HIS 12 HE1 HIS 12 5.351 -3.420 2.139
95 HE2 HIS 12 HE2 HIS 12 7.270 -1.802 2.284
96 H SER 13 HN SER 13 4.871 -4.092 -3.641
97 HA SER 13 HA SER 13 2.176 -3.363 -2.989
98 HB2 SER 13 HB2 SER 13 1.764 -5.821 -3.504
99 HB3 SER 13 HB3 SER 13 2.460 -4.874 -4.819
100 HG SER 13 HG SER 13 3.624 -6.766 -4.650
101 H CYS 14 HN CYS 14 0.933 -4.203 -1.324
102 HA CYS 14 HA CYS 14 2.274 -5.810 0.724
103 HB2 CYS 14 HB2 CYS 14 1.263 -4.401 2.495
104 HB3 CYS 14 HB3 CYS 14 2.453 -3.535 1.534
105 H ALA 15 HN ALA 15 0.520 -6.512 2.383
106 HA ALA 15 HA ALA 15 -1.294 -7.829 2.753
107 HB1 ALA 15 HB1 ALA 15 -3.453 -6.908 2.105
108 HB2 ALA 15 HB2 ALA 15 -2.654 -5.788 1.002
109 HB3 ALA 15 HB3 ALA 15 -2.392 -5.649 2.742
110 H ASN 16 HN ASN 16 0.361 -8.556 0.457
111 HA ASN 16 HA ASN 16 0.422 -10.040 -1.246
112 HB2 ASN 16 HB2 ASN 16 -2.233 -10.816 -0.056
113 HB3 ASN 16 HB3 ASN 16 -1.521 -11.672 -1.415
114 HD21 ASN 16 HD21 ASN 16 -1.479 -11.163 1.974
115 HD22 ASN 16 HD22 ASN 16 -0.259 -12.327 2.356
116 H ASN 17 HN ASN 17 0.166 -7.823 -2.328
117 HA ASN 17 HA ASN 17 -0.395 -6.839 -4.318
118 HB2 ASN 17 HB2 ASN 17 -1.165 -8.349 -5.800
119 HB3 ASN 17 HB3 ASN 17 -1.928 -9.307 -4.534
120 HD21 ASN 17 HD21 ASN 17 -4.022 -8.701 -3.824
121 HD22 ASN 17 HD22 ASN 17 -5.105 -7.795 -4.838
122 H ARG 18 HN ARG 18 -2.764 -7.490 -1.856
123 HA ARG 18 HA ARG 18 -4.734 -5.684 -2.859
124 HB2 ARG 18 HB2 ARG 18 -4.475 -7.151 -0.233
125 HB3 ARG 18 HB3 ARG 18 -5.854 -6.146 -0.655
126 HG2 ARG 18 HG2 ARG 18 -6.729 -8.053 -1.415
127 HG3 ARG 18 HG3 ARG 18 -5.709 -7.768 -2.817
128 HD2 ARG 18 HD2 ARG 18 -5.335 -10.001 -2.200
129 HD3 ARG 18 HD3 ARG 18 -3.931 -9.099 -1.631
130 HE ARG 18 HE ARG 18 -5.095 -9.142 0.602
131 HH11 ARG 18 HH11 ARG 18 -5.600 -11.637 -1.799
132 HH12 ARG 18 HH12 ARG 18 -5.922 -12.872 -0.629
133 HH21 ARG 18 HH21 ARG 18 -5.529 -10.762 2.144
134 HH22 ARG 18 HH22 ARG 18 -5.886 -12.374 1.614
135 H GLY 19 HN GLY 19 -2.074 -4.622 -2.284
136 HA2 GLY 19 HA2 GLY 19 -2.853 -2.175 -0.982
137 HA3 GLY 19 HA1 GLY 19 -1.764 -3.158 -0.021
138 H TRP 20 HN TRP 20 -1.491 -0.499 -1.627
139 HA TRP 20 HA TRP 20 1.198 -1.282 -2.517
140 HB2 TRP 20 HB2 TRP 20 -0.298 -0.656 -4.514
141 HB3 TRP 20 HB3 TRP 20 -0.268 0.978 -3.865
142 HD1 TRP 20 HD1 TRP 20 1.923 2.385 -4.164
143 HE1 TRP 20 HE1 TRP 20 4.132 2.022 -5.363
144 HE3 TRP 20 HE3 TRP 20 1.440 -2.592 -5.210
145 HZ2 TRP 20 HZ2 TRP 20 5.523 -0.108 -6.584
146 HZ3 TRP 20 HZ3 TRP 20 3.281 -3.712 -6.395
147 HH2 TRP 20 HH2 TRP 20 5.275 -2.491 -7.070
148 H CYS 21 HN CYS 21 2.806 -0.034 -1.851
149 HA CYS 21 HA CYS 21 2.287 1.922 0.183
150 HB2 CYS 21 HB2 CYS 21 4.912 1.204 -1.107
151 HB3 CYS 21 HB3 CYS 21 4.658 1.935 0.473
152 H ARG 22 HN ARG 22 1.327 3.680 -0.671
153 HA ARG 22 HA ARG 22 2.822 5.177 -2.736
154 HB2 ARG 22 HB2 ARG 22 -0.151 5.219 -2.207
155 HB3 ARG 22 HB3 ARG 22 0.674 6.130 -3.451
156 HG2 ARG 22 HG2 ARG 22 1.256 4.025 -4.560
157 HG3 ARG 22 HG3 ARG 22 0.377 3.139 -3.306
158 HD2 ARG 22 HD2 ARG 22 -1.596 4.658 -3.937
159 HD3 ARG 22 HD3 ARG 22 -0.684 5.001 -5.398
160 HE ARG 22 HE ARG 22 -2.209 2.689 -4.823
161 HH11 ARG 22 HH11 ARG 22 0.668 3.739 -6.527
162 HH12 ARG 22 HH12 ARG 22 0.583 2.461 -7.696
163 HH21 ARG 22 HH21 ARG 22 -2.341 1.053 -6.347
164 HH22 ARG 22 HH22 ARG 22 -1.137 0.920 -7.595
165 HA PRO 23 HA PRO 23 2.776 8.507 0.268
166 HB2 PRO 23 HB2 PRO 23 3.018 10.655 -1.353
167 HB3 PRO 23 HB3 PRO 23 4.357 9.548 -1.053
168 HG2 PRO 23 HG2 PRO 23 2.546 9.740 -3.413
169 HG3 PRO 23 HG3 PRO 23 4.280 9.388 -3.358
170 HD2 PRO 23 HD2 PRO 23 2.309 7.488 -3.665
171 HD3 PRO 23 HD3 PRO 23 3.929 7.157 -3.025
172 H THR 24 HN THR 24 0.503 8.230 -2.274
173 HA THR 24 HA THR 24 -1.559 9.474 -0.697
174 HB THR 24 HB THR 24 -0.849 11.451 -1.831
175 HG1 THR 24 HG1 THR 24 -3.057 10.369 -3.283
176 HG21 THR 24 HG21 THR 24 -0.968 9.877 -4.404
177 HG22 THR 24 HG22 THR 24 0.499 10.402 -3.579
178 HG23 THR 24 HG23 THR 24 -0.604 11.598 -4.258
179 H CYS 25 HN CYS 25 -3.456 8.467 -1.011
180 HA CYS 25 HA CYS 25 -3.474 6.185 -2.770
181 HB2 CYS 25 HB2 CYS 25 -5.595 7.232 -0.888
182 HB3 CYS 25 HB3 CYS 25 -5.580 5.645 -1.651
183 H PHE 26 HN PHE 26 -4.719 5.863 -4.546
184 HA PHE 26 HA PHE 26 -5.673 8.245 -5.880
185 HB2 PHE 26 HB2 PHE 26 -5.547 5.346 -6.713
186 HB3 PHE 26 HB3 PHE 26 -6.154 6.634 -7.750
187 HD1 PHE 26 HD1 PHE 26 -3.269 4.884 -6.596
188 HD2 PHE 26 HD2 PHE 26 -4.586 8.547 -8.312
189 HE1 PHE 26 HE1 PHE 26 -0.978 5.349 -7.353
190 HE2 PHE 26 HE2 PHE 26 -2.295 9.019 -9.070
191 HZ PHE 26 HZ PHE 26 -0.486 7.416 -8.590
192 H SER 27 HN SER 27 -7.816 7.854 -7.200
193 HA SER 27 HA SER 27 -9.857 7.823 -5.193
194 HB2 SER 27 HB2 SER 27 -10.113 8.171 -8.188
195 HB3 SER 27 HB3 SER 27 -11.321 8.603 -6.977
196 HG SER 27 HG SER 27 -9.544 10.189 -7.899
197 H HIS 28 HN HIS 28 -8.690 5.280 -5.497
198 HA HIS 28 HA HIS 28 -11.093 3.732 -5.767
199 HB2 HIS 28 HB2 HIS 28 -10.274 2.112 -7.366
200 HB3 HIS 28 HB3 HIS 28 -10.245 3.707 -8.111
201 HD1 HIS 28 HD1 HIS 28 -8.251 0.776 -7.735
202 HD2 HIS 28 HD2 HIS 28 -7.440 4.847 -7.912
203 HE1 HIS 28 HE1 HIS 28 -5.815 0.951 -8.321
204 HE2 HIS 28 HE2 HIS 28 -5.378 3.418 -8.560
205 H GLU 29 HN GLU 29 -9.097 4.521 -3.770
206 HA GLU 29 HA GLU 29 -8.266 1.886 -2.839
207 HB2 GLU 29 HB2 GLU 29 -6.339 4.180 -3.216
208 HB3 GLU 29 HB3 GLU 29 -5.966 2.674 -2.394
209 HG2 GLU 29 HG2 GLU 29 -6.178 1.439 -4.431
210 HG3 GLU 29 HG3 GLU 29 -6.796 2.854 -5.283
211 H TYR 30 HN TYR 30 -7.094 2.216 -0.624
212 HA TYR 30 HA TYR 30 -8.021 4.542 0.850
213 HB2 TYR 30 HB2 TYR 30 -9.172 3.248 2.556
214 HB3 TYR 30 HB3 TYR 30 -9.905 2.942 0.988
215 HD1 TYR 30 HD1 TYR 30 -9.752 0.746 -0.055
216 HD2 TYR 30 HD2 TYR 30 -7.897 1.521 3.700
217 HE1 TYR 30 HE1 TYR 30 -9.509 -1.682 0.322
218 HE2 TYR 30 HE2 TYR 30 -7.639 -0.881 4.080
219 HH TYR 30 HH TYR 30 -8.535 -2.942 3.408
220 H THR 31 HN THR 31 -7.065 4.641 3.020
221 HA THR 31 HA THR 31 -4.333 3.685 2.923
222 HB THR 31 HB THR 31 -5.657 5.327 5.091
223 HG1 THR 31 HG1 THR 31 -5.249 6.006 2.571
224 HG21 THR 31 HG21 THR 31 -3.543 4.347 5.768
225 HG22 THR 31 HG22 THR 31 -3.342 6.083 5.518
226 HG23 THR 31 HG23 THR 31 -2.769 4.944 4.300
227 H ASP 32 HN ASP 32 -4.004 1.656 3.515
228 HA ASP 32 HA ASP 32 -5.299 0.559 5.889
229 HB2 ASP 32 HB2 ASP 32 -4.889 -0.803 3.783
230 HB3 ASP 32 HB3 ASP 32 -3.191 -0.721 4.158
231 H TRP 33 HN TRP 33 -4.384 0.702 7.830
232 HA TRP 33 HA TRP 33 -1.778 1.962 8.023
233 HB2 TRP 33 HB2 TRP 33 -4.027 1.444 9.952
234 HB3 TRP 33 HB3 TRP 33 -2.464 2.080 10.474
235 HD1 TRP 33 HD1 TRP 33 -5.650 3.130 8.766
236 HE1 TRP 33 HE1 TRP 33 -5.483 5.624 8.119
237 HE3 TRP 33 HE3 TRP 33 -0.715 3.817 9.705
238 HZ2 TRP 33 HZ2 TRP 33 -3.453 7.620 8.001
239 HZ3 TRP 33 HZ3 TRP 33 0.290 6.019 9.283
240 HH2 TRP 33 HH2 TRP 33 -1.047 7.869 8.441
241 H PHE 34 HN PHE 34 -3.160 -1.114 8.334
242 HA PHE 34 HA PHE 34 -1.290 -2.371 10.038
243 HB2 PHE 34 HB2 PHE 34 -2.879 -3.442 7.695
244 HB3 PHE 34 HB3 PHE 34 -2.075 -4.434 8.913
245 HD1 PHE 34 HD1 PHE 34 -2.962 -4.604 11.150
246 HD2 PHE 34 HD2 PHE 34 -4.889 -2.283 8.168
247 HE1 PHE 34 HE1 PHE 34 -4.996 -4.530 12.538
248 HE2 PHE 34 HE2 PHE 34 -6.934 -2.194 9.541
249 HZ PHE 34 HZ PHE 34 -6.987 -3.319 11.734
250 H ASN 35 HN ASN 35 -1.638 -2.457 6.530
251 HA ASN 35 HA ASN 35 1.043 -3.369 6.202
252 HB2 ASN 35 HB2 ASN 35 -1.124 -2.593 4.275
253 HB3 ASN 35 HB3 ASN 35 0.494 -3.003 3.729
254 HD21 ASN 35 HD21 ASN 35 -2.442 -4.160 5.071
255 HD22 ASN 35 HD22 ASN 35 -2.101 -5.850 4.920
256 H ASN 36 HN ASN 36 -0.288 -0.369 6.771
257 HA ASN 36 HA ASN 36 1.475 1.290 5.310
258 HB2 ASN 36 HB2 ASN 36 -0.580 2.035 6.607
259 HB3 ASN 36 HB3 ASN 36 0.390 1.892 8.058
260 HD21 ASN 36 HD21 ASN 36 -0.921 4.125 6.648
261 HD22 ASN 36 HD22 ASN 36 0.303 5.328 6.497
262 H ASP 37 HN ASP 37 1.725 -0.540 8.270
263 HA ASP 37 HA ASP 37 4.189 0.525 9.141
264 HB2 ASP 37 HB2 ASP 37 2.678 -0.803 10.595
265 HB3 ASP 37 HB3 ASP 37 3.088 -2.236 9.661
266 H VAL 38 HN VAL 38 3.355 -2.281 7.111
267 HA VAL 38 HA VAL 38 6.074 -3.073 6.709
268 HB VAL 38 HB VAL 38 5.368 -4.556 5.047
269 HG11 VAL 38 HG11 VAL 38 4.551 -5.171 7.235
270 HG12 VAL 38 HG12 VAL 38 3.416 -5.692 5.990
271 HG13 VAL 38 HG13 VAL 38 3.067 -4.261 6.958
272 HG21 VAL 38 HG21 VAL 38 2.803 -3.010 4.712
273 HG22 VAL 38 HG22 VAL 38 3.270 -4.469 3.830
274 HG23 VAL 38 HG23 VAL 38 4.182 -2.973 3.610
275 H CYS 39 HN CYS 39 4.086 -0.676 5.316
276 HA CYS 39 HA CYS 39 5.581 -0.367 2.898
277 HB2 CYS 39 HB2 CYS 39 3.311 1.130 4.166
278 HB3 CYS 39 HB3 CYS 39 4.125 1.754 2.734
279 H GLY 40 HN GLY 40 6.489 0.388 5.927
280 HA2 GLY 40 HA2 GLY 40 8.161 1.734 6.747
281 HA3 GLY 40 HA1 GLY 40 8.668 1.923 5.080
282 H SER 41 HN SER 41 8.525 3.862 4.194
283 HA SER 41 HA SER 41 7.466 6.017 5.829
284 HB2 SER 41 HB2 SER 41 9.730 6.097 4.781
285 HB3 SER 41 HB3 SER 41 8.953 6.156 3.203
286 HG SER 41 HG SER 41 7.802 8.067 4.174
287 H TYR 42 HN TYR 42 6.251 4.042 3.482
288 HA TYR 42 HA TYR 42 4.437 6.100 2.400
289 HB2 TYR 42 HB2 TYR 42 5.297 3.396 1.449
290 HB3 TYR 42 HB3 TYR 42 3.770 4.073 0.905
291 HD1 TYR 42 HD1 TYR 42 4.494 6.919 0.587
292 HD2 TYR 42 HD2 TYR 42 6.632 3.395 -0.440
293 HE1 TYR 42 HE1 TYR 42 5.629 8.134 -1.215
294 HE2 TYR 42 HE2 TYR 42 7.772 4.605 -2.231
295 HH TYR 42 HH TYR 42 7.651 8.000 -2.551
296 H ARG 43 HN ARG 43 2.221 5.219 1.954
297 HA ARG 43 HA ARG 43 1.269 3.711 4.293
298 HB2 ARG 43 HB2 ARG 43 -0.791 5.005 4.136
299 HB3 ARG 43 HB3 ARG 43 0.584 6.088 4.275
300 HG2 ARG 43 HG2 ARG 43 0.418 6.029 1.630
301 HG3 ARG 43 HG3 ARG 43 -1.260 5.642 2.012
302 HD2 ARG 43 HD2 ARG 43 -1.063 8.008 1.758
303 HD3 ARG 43 HD3 ARG 43 -1.340 7.642 3.458
304 HE ARG 43 HE ARG 43 1.437 7.907 2.791
305 HH11 ARG 43 HH11 ARG 43 -1.479 9.637 3.634
306 HH12 ARG 43 HH12 ARG 43 -0.639 11.011 4.278
307 HH21 ARG 43 HH21 ARG 43 2.563 9.715 3.640
308 HH22 ARG 43 HH22 ARG 43 1.669 11.057 4.279
309 H CYS 44 HN CYS 44 -0.305 2.091 3.898
310 HA CYS 44 HA CYS 44 -0.014 0.945 1.274
311 HB2 CYS 44 HB2 CYS 44 0.063 -0.512 3.203
312 HB3 CYS 44 HB3 CYS 44 -1.540 -0.048 3.680
313 H CYS 45 HN CYS 45 -1.097 2.104 -0.174
314 HA CYS 45 HA CYS 45 -3.878 2.762 0.189
315 HB2 CYS 45 HB2 CYS 45 -2.045 2.998 -2.205
316 HB3 CYS 45 HB3 CYS 45 -3.685 3.641 -2.118
317 H ARG 46 HN ARG 46 -4.860 0.828 0.491
318 HA ARG 46 HA ARG 46 -4.549 -1.364 -1.349
319 HB2 ARG 46 HB2 ARG 46 -6.560 -0.906 0.862
320 HB3 ARG 46 HB3 ARG 46 -6.326 -2.419 -0.002
321 HG2 ARG 46 HG2 ARG 46 -3.992 -2.465 0.861
322 HG3 ARG 46 HG3 ARG 46 -4.377 -1.045 1.832
323 HD2 ARG 46 HD2 ARG 46 -4.641 -2.910 3.259
324 HD3 ARG 46 HD3 ARG 46 -6.268 -2.388 2.826
325 HE ARG 46 HE ARG 46 -5.588 -4.338 1.004
326 HH11 ARG 46 HH11 ARG 46 -5.840 -4.107 4.487
327 HH12 ARG 46 HH12 ARG 46 -6.364 -5.751 4.689
328 HH21 ARG 46 HH21 ARG 46 -6.302 -6.518 1.275
329 HH22 ARG 46 HH22 ARG 46 -6.629 -7.116 2.867
330 HA PRO 47 HA PRO 47 -7.612 -0.094 -4.383
331 HB2 PRO 47 HB2 PRO 47 -7.976 -3.062 -4.370
332 HB3 PRO 47 HB3 PRO 47 -7.812 -1.961 -5.740
333 HG2 PRO 47 HG2 PRO 47 -5.772 -3.495 -4.973
334 HG3 PRO 47 HG3 PRO 47 -5.508 -1.833 -5.536
335 HD2 PRO 47 HD2 PRO 47 -5.407 -2.938 -2.778
336 HD3 PRO 47 HD3 PRO 47 -4.503 -1.586 -3.490
337 H GLY 48 HN GLY 48 -9.700 0.445 -3.994
338 HA2 GLY 48 HA2 GLY 48 -10.805 -0.173 -1.455
339 HA3 GLY 48 HA1 GLY 48 -11.581 0.775 -2.709
340 H ARG 49 HN ARG 49 -10.548 -2.496 -3.228
341 HA ARG 49 HA ARG 49 -13.093 -3.596 -2.418
342 HB2 ARG 49 HB2 ARG 49 -13.345 -4.894 -4.543
343 HB3 ARG 49 HB3 ARG 49 -13.646 -3.180 -4.701
344 HG2 ARG 49 HG2 ARG 49 -10.999 -4.370 -5.404
345 HG3 ARG 49 HG3 ARG 49 -12.344 -4.346 -6.539
346 HD2 ARG 49 HD2 ARG 49 -10.935 -1.996 -5.292
347 HD3 ARG 49 HD3 ARG 49 -10.992 -2.442 -6.997
348 HE ARG 49 HE ARG 49 -13.571 -1.902 -5.816
349 HH11 ARG 49 HH11 ARG 49 -10.838 -0.568 -7.557
350 HH12 ARG 49 HH12 ARG 49 -11.712 0.829 -8.102
351 HH21 ARG 49 HH21 ARG 49 -14.705 -0.058 -6.496
352 HH22 ARG 49 HH22 ARG 49 -13.913 1.127 -7.485
353 H AAR 50 HN AAR 50 -9.860 -4.097 -3.704
354 HA AAR 50 HA AAR 50 -8.520 -5.929 -3.699
355 HB2 AAR 50 HB2 AAR 50 -7.810 -6.323 -1.203
356 HB3 AAR 50 HB3 AAR 50 -7.387 -4.871 -2.081
357 HG2 AAR 50 HG2 AAR 50 -8.058 -4.126 0.018
358 HG3 AAR 50 HG3 AAR 50 -9.439 -3.810 -1.027
359 HD2 AAR 50 HD2 AAR 50 -10.615 -5.692 -0.157
360 HD3 AAR 50 HD3 AAR 50 -9.190 -6.248 0.720
361 HE AAR 50 HE AAR 50 -9.480 -3.894 1.845
362 HH11 AAR 50 HH21 AAR 50 -10.900 -3.222 3.506
363 HH12 AAR 50 HH22 AAR 50 -12.437 -4.002 3.693
364 HH21 AAR 50 HH11 AAR 50 -11.962 -6.225 1.022
365 HH22 AAR 50 HH12 AAR 50 -13.042 -5.712 2.276
366 HNT1 AAR 50 HNT1 AAR 50 -9.914 -7.525 -4.575
367 HNT2 AAR 50 HNT2 AAR 50 -10.413 -8.867 -3.581
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 9.185 -4.196 3.065
2 H2 SER 1 HT2 SER 1 10.449 -3.525 2.301
3 H3 SER 1 HT3 SER 1 10.539 -5.061 2.820
4 HA SER 1 HA SER 1 8.741 -4.083 0.729
5 HB2 SER 1 HB2 SER 1 11.153 -5.888 0.486
6 HB3 SER 1 HB3 SER 1 10.170 -5.239 -0.824
7 HG SER 1 HG SER 1 12.299 -4.164 -0.074
8 H TYR 2 HN TYR 2 6.939 -5.109 1.671
9 HA TYR 2 HA TYR 2 6.773 -7.761 2.485
10 HB2 TYR 2 HB2 TYR 2 5.023 -5.916 2.689
11 HB3 TYR 2 HB3 TYR 2 4.572 -6.290 1.031
12 HD1 TYR 2 HD1 TYR 2 2.974 -7.938 0.617
13 HD2 TYR 2 HD2 TYR 2 4.952 -7.875 4.380
14 HE1 TYR 2 HE1 TYR 2 1.462 -9.696 1.434
15 HE2 TYR 2 HE2 TYR 2 3.452 -9.637 5.207
16 HH TYR 2 HH TYR 2 1.224 -10.531 4.728
17 H GLN 3 HN GLN 3 6.752 -6.376 -0.733
18 HA GLN 3 HA GLN 3 7.329 -9.034 -1.762
19 HB2 GLN 3 HB2 GLN 3 4.852 -8.435 -2.139
20 HB3 GLN 3 HB3 GLN 3 5.446 -7.242 -3.291
21 HG2 GLN 3 HG2 GLN 3 6.566 -9.028 -4.543
22 HG3 GLN 3 HG3 GLN 3 5.939 -10.212 -3.400
23 HE21 GLN 3 HE21 GLN 3 5.240 -8.173 -6.074
24 HE22 GLN 3 HE22 GLN 3 3.646 -8.772 -6.388
25 H ARG 4 HN ARG 4 9.376 -7.897 -1.476
26 HA ARG 4 HA ARG 4 11.144 -6.655 -2.023
27 HB2 ARG 4 HB2 ARG 4 11.944 -7.058 -4.274
28 HB3 ARG 4 HB3 ARG 4 11.332 -8.504 -3.517
29 HG2 ARG 4 HG2 ARG 4 10.399 -8.807 -5.534
30 HG3 ARG 4 HG3 ARG 4 9.146 -7.758 -4.871
31 HD2 ARG 4 HD2 ARG 4 9.962 -5.875 -6.013
32 HD3 ARG 4 HD3 ARG 4 11.507 -6.656 -6.360
33 HE ARG 4 HE ARG 4 8.946 -7.424 -7.614
34 HH11 ARG 4 HH11 ARG 4 12.431 -7.071 -7.713
35 HH12 ARG 4 HH12 ARG 4 12.557 -7.529 -9.377
36 HH21 ARG 4 HH21 ARG 4 9.114 -8.021 -9.815
37 HH22 ARG 4 HH22 ARG 4 10.671 -8.064 -10.574
38 H ILE 5 HN ILE 5 12.018 -5.188 -4.078
39 HA ILE 5 HA ILE 5 10.461 -2.746 -3.666
40 HB ILE 5 HB ILE 5 13.323 -3.188 -4.533
41 HG12 ILE 5 HG12 ILE 5 12.179 -1.970 -2.013
42 HG13 ILE 5 HG11 ILE 5 12.816 -3.605 -2.144
43 HG21 ILE 5 HG21 ILE 5 11.873 -0.582 -4.107
44 HG22 ILE 5 HG22 ILE 5 12.438 -1.220 -5.651
45 HG23 ILE 5 HG23 ILE 5 13.602 -0.762 -4.407
46 HD11 ILE 5 HD11 ILE 5 15.018 -2.710 -2.667
47 HD12 ILE 5 HD12 ILE 5 14.423 -2.097 -1.123
48 HD13 ILE 5 HD13 ILE 5 14.380 -1.070 -2.556
49 H ARG 6 HN ARG 6 9.355 -1.841 -5.305
50 HA ARG 6 HA ARG 6 10.024 -2.718 -8.020
51 HB2 ARG 6 HB2 ARG 6 7.442 -2.363 -6.641
52 HB3 ARG 6 HB3 ARG 6 7.500 -1.850 -8.325
53 HG2 ARG 6 HG2 ARG 6 6.865 -4.009 -8.560
54 HG3 ARG 6 HG3 ARG 6 8.612 -4.197 -8.653
55 HD2 ARG 6 HD2 ARG 6 8.156 -5.830 -7.138
56 HD3 ARG 6 HD3 ARG 6 8.329 -4.469 -6.030
57 HE ARG 6 HE ARG 6 6.172 -4.813 -5.435
58 HH11 ARG 6 HH11 ARG 6 6.592 -6.012 -8.706
59 HH12 ARG 6 HH12 ARG 6 4.942 -6.509 -8.882
60 HH21 ARG 6 HH21 ARG 6 3.977 -5.501 -5.670
61 HH22 ARG 6 HH22 ARG 6 3.455 -6.204 -7.168
62 H SER 7 HN SER 7 8.056 -0.031 -6.734
63 HA SER 7 HA SER 7 9.023 1.627 -8.886
64 HB2 SER 7 HB2 SER 7 7.137 2.329 -6.624
65 HB3 SER 7 HB3 SER 7 7.349 3.213 -8.135
66 HG SER 7 HG SER 7 6.435 1.535 -9.248
67 H ASP 8 HN ASP 8 9.206 1.574 -5.371
68 HA ASP 8 HA ASP 8 11.681 3.089 -5.456
69 HB2 ASP 8 HB2 ASP 8 9.261 3.980 -3.873
70 HB3 ASP 8 HB3 ASP 8 10.896 4.520 -3.521
71 H HIS 9 HN HIS 9 12.546 3.181 -3.081
72 HA HIS 9 HA HIS 9 12.954 0.598 -2.199
73 HB2 HIS 9 HB2 HIS 9 14.429 2.416 -1.542
74 HB3 HIS 9 HB3 HIS 9 13.136 3.172 -0.619
75 HD1 HIS 9 HD1 HIS 9 15.583 0.336 -0.492
76 HD2 HIS 9 HD2 HIS 9 12.660 2.068 1.900
77 HE1 HIS 9 HE1 HIS 9 15.863 -0.700 1.779
78 HE2 HIS 9 HE2 HIS 9 13.988 0.246 3.164
79 H ASP 10 HN ASP 10 10.644 2.987 -0.975
80 HA ASP 10 HA ASP 10 9.527 1.012 0.850
81 HB2 ASP 10 HB2 ASP 10 8.853 3.926 0.402
82 HB3 ASP 10 HB3 ASP 10 8.055 2.896 1.580
83 H SER 11 HN SER 11 9.001 2.124 -2.320
84 HA SER 11 HA SER 11 6.126 1.820 -2.237
85 HB2 SER 11 HB2 SER 11 7.324 3.565 -3.645
86 HB3 SER 11 HB3 SER 11 7.783 2.244 -4.714
87 HG SER 11 HG SER 11 5.155 3.073 -4.035
88 H HIS 12 HN HIS 12 5.629 -0.239 -1.869
89 HA HIS 12 HA HIS 12 6.137 -2.134 -4.024
90 HB2 HIS 12 HB2 HIS 12 6.588 -3.944 -2.379
91 HB3 HIS 12 HB3 HIS 12 7.849 -2.719 -2.405
92 HD1 HIS 12 HD1 HIS 12 5.025 -4.015 -0.256
93 HD2 HIS 12 HD2 HIS 12 8.210 -1.351 0.007
94 HE1 HIS 12 HE1 HIS 12 5.238 -3.426 2.185
95 HE2 HIS 12 HE2 HIS 12 7.198 -1.856 2.325
96 H SER 13 HN SER 13 4.753 -4.182 -3.540
97 HA SER 13 HA SER 13 2.103 -3.303 -2.823
98 HB2 SER 13 HB2 SER 13 1.536 -5.735 -3.405
99 HB3 SER 13 HB3 SER 13 2.134 -4.714 -4.713
100 HG SER 13 HG SER 13 3.092 -6.906 -4.418
101 H CYS 14 HN CYS 14 0.810 -4.286 -1.245
102 HA CYS 14 HA CYS 14 2.173 -5.894 0.786
103 HB2 CYS 14 HB2 CYS 14 1.164 -4.507 2.568
104 HB3 CYS 14 HB3 CYS 14 2.325 -3.613 1.597
105 H ALA 15 HN ALA 15 0.408 -6.586 2.458
106 HA ALA 15 HA ALA 15 -1.409 -7.903 2.829
107 HB1 ALA 15 HB1 ALA 15 -2.754 -5.878 1.044
108 HB2 ALA 15 HB2 ALA 15 -2.501 -5.716 2.784
109 HB3 ALA 15 HB3 ALA 15 -3.562 -6.980 2.160
110 H ASN 16 HN ASN 16 0.262 -8.553 0.463
111 HA ASN 16 HA ASN 16 0.329 -10.078 -1.204
112 HB2 ASN 16 HB2 ASN 16 -2.312 -10.910 -0.008
113 HB3 ASN 16 HB3 ASN 16 -1.509 -11.796 -1.293
114 HD21 ASN 16 HD21 ASN 16 1.171 -11.464 -0.275
115 HD22 ASN 16 HD22 ASN 16 1.289 -12.435 1.146
116 H ASN 17 HN ASN 17 0.017 -7.902 -2.308
117 HA ASN 17 HA ASN 17 -0.580 -6.969 -4.308
118 HB2 ASN 17 HB2 ASN 17 -1.400 -8.498 -5.742
119 HB3 ASN 17 HB3 ASN 17 -2.134 -9.429 -4.439
120 HD21 ASN 17 HD21 ASN 17 -4.206 -8.809 -3.694
121 HD22 ASN 17 HD22 ASN 17 -5.309 -7.906 -4.684
122 H ARG 18 HN ARG 18 -2.848 -7.503 -1.736
123 HA ARG 18 HA ARG 18 -4.815 -5.689 -2.756
124 HB2 ARG 18 HB2 ARG 18 -4.569 -7.161 -0.130
125 HB3 ARG 18 HB3 ARG 18 -5.929 -6.126 -0.546
126 HG2 ARG 18 HG2 ARG 18 -6.843 -8.025 -1.275
127 HG3 ARG 18 HG3 ARG 18 -5.858 -7.744 -2.698
128 HD2 ARG 18 HD2 ARG 18 -5.500 -9.988 -2.125
129 HD3 ARG 18 HD3 ARG 18 -4.072 -9.120 -1.563
130 HE ARG 18 HE ARG 18 -5.040 -9.222 0.684
131 HH11 ARG 18 HH11 ARG 18 -6.235 -11.467 -1.727
132 HH12 ARG 18 HH12 ARG 18 -6.711 -12.654 -0.560
133 HH21 ARG 18 HH21 ARG 18 -5.684 -10.790 2.212
134 HH22 ARG 18 HH22 ARG 18 -6.400 -12.276 1.668
135 H GLY 19 HN GLY 19 -2.177 -4.630 -2.303
136 HA2 GLY 19 HA2 GLY 19 -2.871 -2.203 -0.935
137 HA3 GLY 19 HA1 GLY 19 -1.785 -3.214 -0.004
138 H TRP 20 HN TRP 20 -1.578 -0.552 -1.703
139 HA TRP 20 HA TRP 20 1.127 -1.320 -2.565
140 HB2 TRP 20 HB2 TRP 20 -0.381 -0.664 -4.560
141 HB3 TRP 20 HB3 TRP 20 -0.317 0.963 -3.902
142 HD1 TRP 20 HD1 TRP 20 1.850 2.351 -4.271
143 HE1 TRP 20 HE1 TRP 20 4.094 1.942 -5.417
144 HE3 TRP 20 HE3 TRP 20 1.370 -2.651 -5.180
145 HZ2 TRP 20 HZ2 TRP 20 5.496 -0.235 -6.557
146 HZ3 TRP 20 HZ3 TRP 20 3.220 -3.817 -6.305
147 HH2 TRP 20 HH2 TRP 20 5.239 -2.634 -6.981
148 H CYS 21 HN CYS 21 2.752 -0.046 -1.943
149 HA CYS 21 HA CYS 21 2.225 1.909 0.105
150 HB2 CYS 21 HB2 CYS 21 4.855 1.130 -1.128
151 HB3 CYS 21 HB3 CYS 21 4.597 1.901 0.428
152 H ARG 22 HN ARG 22 1.286 3.646 -0.799
153 HA ARG 22 HA ARG 22 2.862 5.162 -2.785
154 HB2 ARG 22 HB2 ARG 22 -0.121 5.238 -2.308
155 HB3 ARG 22 HB3 ARG 22 0.738 6.177 -3.508
156 HG2 ARG 22 HG2 ARG 22 1.319 4.094 -4.665
157 HG3 ARG 22 HG3 ARG 22 0.402 3.190 -3.452
158 HD2 ARG 22 HD2 ARG 22 -1.556 4.688 -4.072
159 HD3 ARG 22 HD3 ARG 22 -0.613 5.149 -5.483
160 HE ARG 22 HE ARG 22 -2.081 2.756 -5.070
161 HH11 ARG 22 HH11 ARG 22 0.691 4.117 -6.742
162 HH12 ARG 22 HH12 ARG 22 0.717 2.890 -7.965
163 HH21 ARG 22 HH21 ARG 22 -2.038 1.133 -6.682
164 HH22 ARG 22 HH22 ARG 22 -0.837 1.188 -7.933
165 HA PRO 23 HA PRO 23 2.908 8.426 0.276
166 HB2 PRO 23 HB2 PRO 23 2.985 10.625 -1.304
167 HB3 PRO 23 HB3 PRO 23 4.378 9.563 -1.083
168 HG2 PRO 23 HG2 PRO 23 2.443 9.707 -3.351
169 HG3 PRO 23 HG3 PRO 23 4.197 9.462 -3.387
170 HD2 PRO 23 HD2 PRO 23 2.379 7.442 -3.665
171 HD3 PRO 23 HD3 PRO 23 4.012 7.211 -3.010
172 H THR 24 HN THR 24 0.510 8.215 -2.179
173 HA THR 24 HA THR 24 -1.496 9.260 -0.411
174 HB THR 24 HB THR 24 -0.750 11.337 -1.445
175 HG1 THR 24 HG1 THR 24 -3.054 10.893 -1.110
176 HG21 THR 24 HG21 THR 24 0.219 10.426 -3.487
177 HG22 THR 24 HG22 THR 24 -0.945 11.698 -3.860
178 HG23 THR 24 HG23 THR 24 -1.389 10.006 -4.074
179 H CYS 25 HN CYS 25 -3.492 8.436 -0.862
180 HA CYS 25 HA CYS 25 -3.527 6.188 -2.691
181 HB2 CYS 25 HB2 CYS 25 -5.621 7.166 -0.727
182 HB3 CYS 25 HB3 CYS 25 -5.605 5.597 -1.533
183 H PHE 26 HN PHE 26 -4.694 6.010 -4.495
184 HA PHE 26 HA PHE 26 -5.711 8.436 -5.685
185 HB2 PHE 26 HB2 PHE 26 -5.464 5.598 -6.684
186 HB3 PHE 26 HB3 PHE 26 -6.065 6.932 -7.665
187 HD1 PHE 26 HD1 PHE 26 -4.435 9.082 -7.530
188 HD2 PHE 26 HD2 PHE 26 -3.280 5.022 -7.004
189 HE1 PHE 26 HE1 PHE 26 -2.133 9.660 -8.158
190 HE2 PHE 26 HE2 PHE 26 -0.976 5.592 -7.635
191 HZ PHE 26 HZ PHE 26 -0.397 7.913 -8.213
192 H SER 27 HN SER 27 -7.804 8.047 -7.096
193 HA SER 27 HA SER 27 -9.908 7.838 -5.168
194 HB2 SER 27 HB2 SER 27 -10.125 8.233 -8.157
195 HB3 SER 27 HB3 SER 27 -11.341 8.631 -6.944
196 HG SER 27 HG SER 27 -9.509 9.992 -6.045
197 H HIS 28 HN HIS 28 -8.665 5.377 -5.423
198 HA HIS 28 HA HIS 28 -10.946 3.704 -5.824
199 HB2 HIS 28 HB2 HIS 28 -9.879 2.150 -7.446
200 HB3 HIS 28 HB3 HIS 28 -10.226 3.727 -8.150
201 HD1 HIS 28 HD1 HIS 28 -7.592 1.280 -7.843
202 HD2 HIS 28 HD2 HIS 28 -7.763 5.411 -8.240
203 HE1 HIS 28 HE1 HIS 28 -5.338 1.969 -8.697
204 HE2 HIS 28 HE2 HIS 28 -5.533 4.436 -9.119
205 H GLU 29 HN GLU 29 -9.054 4.551 -3.795
206 HA GLU 29 HA GLU 29 -8.132 1.953 -2.862
207 HB2 GLU 29 HB2 GLU 29 -6.306 4.343 -3.114
208 HB3 GLU 29 HB3 GLU 29 -5.893 2.831 -2.328
209 HG2 GLU 29 HG2 GLU 29 -5.987 1.662 -4.420
210 HG3 GLU 29 HG3 GLU 29 -6.580 3.105 -5.244
211 H TYR 30 HN TYR 30 -6.964 2.414 -0.639
212 HA TYR 30 HA TYR 30 -7.935 4.707 0.812
213 HB2 TYR 30 HB2 TYR 30 -9.112 3.403 2.531
214 HB3 TYR 30 HB3 TYR 30 -9.876 3.206 0.959
215 HD1 TYR 30 HD1 TYR 30 -9.819 1.068 -0.192
216 HD2 TYR 30 HD2 TYR 30 -7.926 1.568 3.580
217 HE1 TYR 30 HE1 TYR 30 -9.667 -1.380 0.045
218 HE2 TYR 30 HE2 TYR 30 -7.748 -0.863 3.833
219 HH TYR 30 HH TYR 30 -8.067 -2.978 1.378
220 H THR 31 HN THR 31 -7.068 4.667 3.082
221 HA THR 31 HA THR 31 -4.322 3.723 2.950
222 HB THR 31 HB THR 31 -5.638 5.390 5.104
223 HG1 THR 31 HG1 THR 31 -4.896 6.012 2.535
224 HG21 THR 31 HG21 THR 31 -3.316 6.126 5.537
225 HG22 THR 31 HG22 THR 31 -2.751 4.963 4.337
226 HG23 THR 31 HG23 THR 31 -3.543 4.398 5.809
227 H ASP 32 HN ASP 32 -4.145 1.619 3.479
228 HA ASP 32 HA ASP 32 -5.396 0.577 5.887
229 HB2 ASP 32 HB2 ASP 32 -5.026 -0.877 3.896
230 HB3 ASP 32 HB3 ASP 32 -3.312 -0.678 4.096
231 H TRP 33 HN TRP 33 -4.483 0.716 7.845
232 HA TRP 33 HA TRP 33 -1.880 1.976 8.030
233 HB2 TRP 33 HB2 TRP 33 -4.145 1.535 9.957
234 HB3 TRP 33 HB3 TRP 33 -2.565 2.100 10.500
235 HD1 TRP 33 HD1 TRP 33 -5.712 3.335 8.837
236 HE1 TRP 33 HE1 TRP 33 -5.436 5.805 8.185
237 HE3 TRP 33 HE3 TRP 33 -0.718 3.817 9.714
238 HZ2 TRP 33 HZ2 TRP 33 -3.341 7.709 8.042
239 HZ3 TRP 33 HZ3 TRP 33 0.357 5.981 9.275
240 HH2 TRP 33 HH2 TRP 33 -0.925 7.876 8.446
241 H PHE 34 HN PHE 34 -3.269 -1.119 8.367
242 HA PHE 34 HA PHE 34 -1.391 -2.344 10.083
243 HB2 PHE 34 HB2 PHE 34 -3.592 -3.310 9.262
244 HB3 PHE 34 HB3 PHE 34 -2.799 -3.606 7.713
245 HD1 PHE 34 HD1 PHE 34 -1.334 -5.445 7.417
246 HD2 PHE 34 HD2 PHE 34 -2.868 -4.526 11.276
247 HE1 PHE 34 HE1 PHE 34 -0.540 -7.620 8.246
248 HE2 PHE 34 HE2 PHE 34 -2.075 -6.700 12.113
249 HZ PHE 34 HZ PHE 34 -0.909 -8.248 10.595
250 H ASN 35 HN ASN 35 -1.642 -2.490 6.552
251 HA ASN 35 HA ASN 35 1.089 -3.342 6.299
252 HB2 ASN 35 HB2 ASN 35 -1.072 -2.684 4.315
253 HB3 ASN 35 HB3 ASN 35 0.565 -3.074 3.817
254 HD21 ASN 35 HD21 ASN 35 -2.365 -4.247 5.165
255 HD22 ASN 35 HD22 ASN 35 -1.987 -5.935 5.073
256 H ASN 36 HN ASN 36 -0.319 -0.380 6.810
257 HA ASN 36 HA ASN 36 1.392 1.290 5.311
258 HB2 ASN 36 HB2 ASN 36 -0.642 1.995 6.661
259 HB3 ASN 36 HB3 ASN 36 0.380 1.891 8.082
260 HD21 ASN 36 HD21 ASN 36 -1.022 4.069 6.660
261 HD22 ASN 36 HD22 ASN 36 0.168 5.300 6.465
262 H ASP 37 HN ASP 37 1.686 -0.451 8.322
263 HA ASP 37 HA ASP 37 4.186 0.540 9.130
264 HB2 ASP 37 HB2 ASP 37 2.872 -0.729 10.693
265 HB3 ASP 37 HB3 ASP 37 2.866 -2.127 9.626
266 H VAL 38 HN VAL 38 3.292 -2.274 7.127
267 HA VAL 38 HA VAL 38 5.980 -3.115 6.699
268 HB VAL 38 HB VAL 38 5.220 -4.612 5.074
269 HG11 VAL 38 HG11 VAL 38 3.200 -5.636 6.010
270 HG12 VAL 38 HG12 VAL 38 2.916 -4.175 6.956
271 HG13 VAL 38 HG13 VAL 38 4.349 -5.155 7.255
272 HG21 VAL 38 HG21 VAL 38 3.180 -4.463 3.807
273 HG22 VAL 38 HG22 VAL 38 4.104 -2.970 3.615
274 HG23 VAL 38 HG23 VAL 38 2.702 -3.009 4.687
275 H CYS 39 HN CYS 39 3.990 -0.747 5.210
276 HA CYS 39 HA CYS 39 5.554 -0.372 2.868
277 HB2 CYS 39 HB2 CYS 39 3.342 1.188 4.175
278 HB3 CYS 39 HB3 CYS 39 4.161 1.774 2.731
279 H GLY 40 HN GLY 40 6.066 0.589 6.084
280 HA2 GLY 40 HA2 GLY 40 7.803 1.815 6.982
281 HA3 GLY 40 HA1 GLY 40 8.471 1.920 5.366
282 H SER 41 HN SER 41 8.409 3.800 4.336
283 HA SER 41 HA SER 41 7.426 6.081 5.824
284 HB2 SER 41 HB2 SER 41 9.670 6.046 4.782
285 HB3 SER 41 HB3 SER 41 8.913 5.960 3.194
286 HG SER 41 HG SER 41 7.775 7.997 4.075
287 H TYR 42 HN TYR 42 6.243 4.057 3.417
288 HA TYR 42 HA TYR 42 4.386 6.095 2.389
289 HB2 TYR 42 HB2 TYR 42 5.191 3.369 1.428
290 HB3 TYR 42 HB3 TYR 42 3.705 4.121 0.866
291 HD1 TYR 42 HD1 TYR 42 4.466 6.897 0.489
292 HD2 TYR 42 HD2 TYR 42 6.653 3.358 -0.337
293 HE1 TYR 42 HE1 TYR 42 5.698 8.075 -1.267
294 HE2 TYR 42 HE2 TYR 42 7.899 4.524 -2.089
295 HH TYR 42 HH TYR 42 7.820 7.926 -2.444
296 H ARG 43 HN ARG 43 2.173 5.123 1.917
297 HA ARG 43 HA ARG 43 1.260 3.639 4.287
298 HB2 ARG 43 HB2 ARG 43 -0.824 4.900 4.142
299 HB3 ARG 43 HB3 ARG 43 0.540 5.993 4.294
300 HG2 ARG 43 HG2 ARG 43 0.365 5.984 1.650
301 HG3 ARG 43 HG3 ARG 43 -1.305 5.561 2.030
302 HD2 ARG 43 HD2 ARG 43 -1.080 7.956 1.808
303 HD3 ARG 43 HD3 ARG 43 -1.473 7.526 3.470
304 HE ARG 43 HE ARG 43 1.345 7.862 2.911
305 HH11 ARG 43 HH11 ARG 43 -1.621 9.401 3.936
306 HH12 ARG 43 HH12 ARG 43 -0.816 10.661 4.815
307 HH21 ARG 43 HH21 ARG 43 2.411 9.513 4.068
308 HH22 ARG 43 HH22 ARG 43 1.483 10.720 4.896
309 H CYS 44 HN CYS 44 -0.333 2.028 3.931
310 HA CYS 44 HA CYS 44 -0.059 0.827 1.333
311 HB2 CYS 44 HB2 CYS 44 -0.036 -0.589 3.297
312 HB3 CYS 44 HB3 CYS 44 -1.629 -0.074 3.744
313 H CYS 45 HN CYS 45 -1.089 2.127 -0.090
314 HA CYS 45 HA CYS 45 -3.880 2.737 0.199
315 HB2 CYS 45 HB2 CYS 45 -2.004 2.934 -2.166
316 HB3 CYS 45 HB3 CYS 45 -3.653 3.564 -2.133
317 H ARG 46 HN ARG 46 -4.825 0.767 0.559
318 HA ARG 46 HA ARG 46 -4.547 -1.426 -1.267
319 HB2 ARG 46 HB2 ARG 46 -6.652 -0.914 0.842
320 HB3 ARG 46 HB3 ARG 46 -6.391 -2.438 0.010
321 HG2 ARG 46 HG2 ARG 46 -4.097 -2.487 1.003
322 HG3 ARG 46 HG3 ARG 46 -4.549 -1.074 1.957
323 HD2 ARG 46 HD2 ARG 46 -4.927 -2.903 3.379
324 HD3 ARG 46 HD3 ARG 46 -6.528 -2.473 2.775
325 HE ARG 46 HE ARG 46 -5.393 -4.450 1.126
326 HH11 ARG 46 HH11 ARG 46 -6.743 -4.030 4.334
327 HH12 ARG 46 HH12 ARG 46 -7.202 -5.694 4.502
328 HH21 ARG 46 HH21 ARG 46 -6.026 -6.652 1.354
329 HH22 ARG 46 HH22 ARG 46 -6.823 -7.176 2.799
330 HA PRO 47 HA PRO 47 -7.419 0.033 -4.368
331 HB2 PRO 47 HB2 PRO 47 -7.844 -2.885 -4.719
332 HB3 PRO 47 HB3 PRO 47 -7.421 -1.662 -5.920
333 HG2 PRO 47 HG2 PRO 47 -5.618 -3.431 -5.021
334 HG3 PRO 47 HG3 PRO 47 -5.169 -1.770 -5.432
335 HD2 PRO 47 HD2 PRO 47 -5.511 -3.035 -2.764
336 HD3 PRO 47 HD3 PRO 47 -4.406 -1.743 -3.274
337 H GLY 48 HN GLY 48 -9.531 0.532 -4.086
338 HA2 GLY 48 HA2 GLY 48 -10.857 -0.424 -1.741
339 HA3 GLY 48 HA1 GLY 48 -11.516 0.706 -2.912
340 H ARG 49 HN ARG 49 -10.399 -2.556 -3.467
341 HA ARG 49 HA ARG 49 -12.989 -3.746 -3.289
342 HB2 ARG 49 HB2 ARG 49 -13.152 -4.543 -5.571
343 HB3 ARG 49 HB3 ARG 49 -13.123 -2.790 -5.575
344 HG2 ARG 49 HG2 ARG 49 -10.645 -4.392 -6.018
345 HG3 ARG 49 HG3 ARG 49 -11.769 -4.053 -7.329
346 HD2 ARG 49 HD2 ARG 49 -11.482 -1.665 -6.972
347 HD3 ARG 49 HD3 ARG 49 -10.399 -1.987 -5.617
348 HE ARG 49 HE ARG 49 -9.049 -3.223 -7.458
349 HH11 ARG 49 HH11 ARG 49 -10.834 -0.236 -7.831
350 HH12 ARG 49 HH12 ARG 49 -9.831 0.354 -9.119
351 HH21 ARG 49 HH21 ARG 49 -7.706 -2.442 -9.135
352 HH22 ARG 49 HH22 ARG 49 -8.039 -0.895 -9.848
353 H AAR 50 HN AAR 50 -9.635 -3.780 -3.522
354 HA AAR 50 HA AAR 50 -8.013 -5.291 -3.772
355 HB2 AAR 50 HB2 AAR 50 -9.149 -7.221 -1.918
356 HB3 AAR 50 HB3 AAR 50 -7.712 -6.235 -1.798
357 HG2 AAR 50 HG2 AAR 50 -8.936 -4.381 -0.937
358 HG3 AAR 50 HG3 AAR 50 -10.470 -5.216 -1.202
359 HD2 AAR 50 HD2 AAR 50 -9.988 -6.822 0.471
360 HD3 AAR 50 HD3 AAR 50 -8.304 -6.318 0.573
361 HE AAR 50 HE AAR 50 -9.531 -4.089 1.337
362 HH11 AAR 50 HH21 AAR 50 -10.252 -3.531 3.405
363 HH12 AAR 50 HH22 AAR 50 -10.756 -4.772 4.508
364 HH21 AAR 50 HH11 AAR 50 -10.093 -7.413 2.298
365 HH22 AAR 50 HH12 AAR 50 -10.674 -6.987 3.873
366 HNT1 AAR 50 HNT1 AAR 50 -10.095 -7.989 -2.945
367 HNT2 AAR 50 HNT2 AAR 50 -10.034 -8.750 -4.508
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 11.146 -2.602 2.353
2 H2 SER 1 HT2 SER 1 11.139 -4.030 3.130
3 H3 SER 1 HT3 SER 1 9.741 -3.254 2.850
4 HA SER 1 HA SER 1 9.927 -3.549 0.508
5 HB2 SER 1 HB2 SER 1 12.453 -5.073 1.185
6 HB3 SER 1 HB3 SER 1 11.802 -4.756 -0.424
7 HG SER 1 HG SER 1 13.318 -3.219 -0.142
8 H TYR 2 HN TYR 2 8.160 -4.624 2.078
9 HA TYR 2 HA TYR 2 8.286 -7.336 2.679
10 HB2 TYR 2 HB2 TYR 2 6.486 -5.993 3.529
11 HB3 TYR 2 HB3 TYR 2 5.936 -5.602 1.905
12 HD1 TYR 2 HD1 TYR 2 6.663 -8.741 3.827
13 HD2 TYR 2 HD2 TYR 2 3.970 -6.612 1.318
14 HE1 TYR 2 HE1 TYR 2 5.108 -10.644 3.890
15 HE2 TYR 2 HE2 TYR 2 2.406 -8.508 1.376
16 HH TYR 2 HH TYR 2 2.632 -11.013 3.580
17 H GLN 3 HN GLN 3 7.349 -5.756 -0.338
18 HA GLN 3 HA GLN 3 7.748 -8.336 -1.674
19 HB2 GLN 3 HB2 GLN 3 5.669 -6.285 -2.464
20 HB3 GLN 3 HB3 GLN 3 5.968 -7.822 -3.257
21 HG2 GLN 3 HG2 GLN 3 5.178 -7.733 -0.380
22 HG3 GLN 3 HG3 GLN 3 3.967 -7.574 -1.646
23 HE21 GLN 3 HE21 GLN 3 6.808 -9.605 -1.982
24 HE22 GLN 3 HE22 GLN 3 5.963 -11.106 -1.929
25 H ARG 4 HN ARG 4 9.892 -7.260 -1.667
26 HA ARG 4 HA ARG 4 11.646 -6.363 -2.749
27 HB2 ARG 4 HB2 ARG 4 11.760 -6.591 -5.045
28 HB3 ARG 4 HB3 ARG 4 10.467 -7.703 -4.639
29 HG2 ARG 4 HG2 ARG 4 8.811 -6.093 -5.341
30 HG3 ARG 4 HG3 ARG 4 10.068 -4.895 -5.648
31 HD2 ARG 4 HD2 ARG 4 9.743 -7.530 -7.074
32 HD3 ARG 4 HD3 ARG 4 9.315 -5.943 -7.716
33 HE ARG 4 HE ARG 4 11.821 -5.481 -7.325
34 HH11 ARG 4 HH11 ARG 4 10.454 -8.532 -8.361
35 HH12 ARG 4 HH12 ARG 4 11.877 -9.022 -9.222
36 HH21 ARG 4 HH21 ARG 4 13.698 -6.125 -8.450
37 HH22 ARG 4 HH22 ARG 4 13.723 -7.654 -9.269
38 H ILE 5 HN ILE 5 12.259 -4.535 -4.416
39 HA ILE 5 HA ILE 5 10.867 -2.077 -3.609
40 HB ILE 5 HB ILE 5 13.706 -2.508 -4.577
41 HG12 ILE 5 HG12 ILE 5 12.614 -1.492 -1.945
42 HG13 ILE 5 HG11 ILE 5 13.306 -3.086 -2.223
43 HG21 ILE 5 HG21 ILE 5 12.886 -0.458 -5.540
44 HG22 ILE 5 HG22 ILE 5 14.005 -0.078 -4.230
45 HG23 ILE 5 HG23 ILE 5 12.266 0.068 -3.976
46 HD11 ILE 5 HD11 ILE 5 15.464 -2.084 -2.699
47 HD12 ILE 5 HD12 ILE 5 14.874 -1.586 -1.113
48 HD13 ILE 5 HD13 ILE 5 14.780 -0.473 -2.479
49 H ARG 6 HN ARG 6 9.405 -1.637 -5.126
50 HA ARG 6 HA ARG 6 9.705 -2.659 -7.793
51 HB2 ARG 6 HB2 ARG 6 7.484 -0.958 -6.673
52 HB3 ARG 6 HB3 ARG 6 7.430 -2.036 -8.054
53 HG2 ARG 6 HG2 ARG 6 8.126 -3.233 -5.447
54 HG3 ARG 6 HG3 ARG 6 6.458 -2.722 -5.702
55 HD2 ARG 6 HD2 ARG 6 6.327 -4.065 -7.701
56 HD3 ARG 6 HD3 ARG 6 8.010 -4.545 -7.514
57 HE ARG 6 HE ARG 6 7.085 -5.466 -5.248
58 HH11 ARG 6 HH11 ARG 6 5.435 -5.477 -8.353
59 HH12 ARG 6 HH12 ARG 6 4.608 -6.972 -8.051
60 HH21 ARG 6 HH21 ARG 6 5.985 -7.444 -4.870
61 HH22 ARG 6 HH22 ARG 6 4.913 -8.083 -6.069
62 H SER 7 HN SER 7 8.716 0.545 -6.603
63 HA SER 7 HA SER 7 10.072 1.725 -8.938
64 HB2 SER 7 HB2 SER 7 7.568 1.930 -8.867
65 HB3 SER 7 HB3 SER 7 7.735 2.864 -7.380
66 HG SER 7 HG SER 7 8.832 3.542 -9.916
67 H ASP 8 HN ASP 8 8.864 2.940 -5.833
68 HA ASP 8 HA ASP 8 11.401 4.284 -5.317
69 HB2 ASP 8 HB2 ASP 8 9.031 5.275 -4.845
70 HB3 ASP 8 HB3 ASP 8 9.045 4.193 -3.453
71 H HIS 9 HN HIS 9 12.052 4.042 -2.824
72 HA HIS 9 HA HIS 9 12.688 1.324 -2.408
73 HB2 HIS 9 HB2 HIS 9 14.085 3.139 -1.503
74 HB3 HIS 9 HB3 HIS 9 12.770 3.622 -0.440
75 HD1 HIS 9 HD1 HIS 9 15.753 1.597 -0.504
76 HD2 HIS 9 HD2 HIS 9 12.115 1.463 1.503
77 HE1 HIS 9 HE1 HIS 9 16.111 0.060 1.449
78 HE2 HIS 9 HE2 HIS 9 13.843 -0.170 2.517
79 H ASP 10 HN ASP 10 10.263 3.476 -1.054
80 HA ASP 10 HA ASP 10 9.247 1.406 0.700
81 HB2 ASP 10 HB2 ASP 10 8.347 4.242 0.184
82 HB3 ASP 10 HB3 ASP 10 7.545 3.156 1.309
83 H SER 11 HN SER 11 8.688 2.469 -2.486
84 HA SER 11 HA SER 11 5.868 1.930 -2.542
85 HB2 SER 11 HB2 SER 11 7.141 3.575 -4.046
86 HB3 SER 11 HB3 SER 11 7.644 2.160 -4.958
87 HG SER 11 HG SER 11 5.141 3.349 -4.750
88 H HIS 12 HN HIS 12 5.380 -0.118 -2.064
89 HA HIS 12 HA HIS 12 5.983 -2.118 -4.075
90 HB2 HIS 12 HB2 HIS 12 6.605 -3.838 -2.419
91 HB3 HIS 12 HB3 HIS 12 7.778 -2.533 -2.466
92 HD1 HIS 12 HD1 HIS 12 5.131 -4.064 -0.242
93 HD2 HIS 12 HD2 HIS 12 8.036 -1.087 -0.076
94 HE1 HIS 12 HE1 HIS 12 5.373 -3.455 2.205
95 HE2 HIS 12 HE2 HIS 12 7.137 -1.666 2.265
96 H SER 13 HN SER 13 4.681 -4.134 -3.609
97 HA SER 13 HA SER 13 2.022 -3.387 -2.850
98 HB2 SER 13 HB2 SER 13 1.640 -5.907 -3.312
99 HB3 SER 13 HB3 SER 13 2.094 -4.871 -4.665
100 HG SER 13 HG SER 13 3.366 -6.719 -4.687
101 H CYS 14 HN CYS 14 0.819 -4.254 -1.189
102 HA CYS 14 HA CYS 14 2.201 -5.866 0.821
103 HB2 CYS 14 HB2 CYS 14 1.198 -4.451 2.614
104 HB3 CYS 14 HB3 CYS 14 2.415 -3.614 1.660
105 H ALA 15 HN ALA 15 0.429 -6.499 2.535
106 HA ALA 15 HA ALA 15 -1.327 -7.904 2.878
107 HB1 ALA 15 HB1 ALA 15 -3.522 -7.020 2.202
108 HB2 ALA 15 HB2 ALA 15 -2.709 -5.815 1.206
109 HB3 ALA 15 HB3 ALA 15 -2.504 -5.796 2.958
110 H ASN 16 HN ASN 16 0.307 -8.485 0.480
111 HA ASN 16 HA ASN 16 0.382 -9.975 -1.209
112 HB2 ASN 16 HB2 ASN 16 -2.160 -10.823 0.132
113 HB3 ASN 16 HB3 ASN 16 -1.677 -11.568 -1.385
114 HD21 ASN 16 HD21 ASN 16 -1.014 -11.241 1.990
115 HD22 ASN 16 HD22 ASN 16 0.179 -12.488 2.091
116 H ASN 17 HN ASN 17 0.184 -7.889 -2.405
117 HA ASN 17 HA ASN 17 -0.492 -6.814 -4.305
118 HB2 ASN 17 HB2 ASN 17 -1.269 -8.389 -5.734
119 HB3 ASN 17 HB3 ASN 17 -2.110 -9.263 -4.455
120 HD21 ASN 17 HD21 ASN 17 -4.174 -8.511 -3.799
121 HD22 ASN 17 HD22 ASN 17 -5.193 -7.583 -4.863
122 H ARG 18 HN ARG 18 -2.778 -7.549 -1.794
123 HA ARG 18 HA ARG 18 -4.826 -5.792 -2.684
124 HB2 ARG 18 HB2 ARG 18 -4.373 -7.300 -0.108
125 HB3 ARG 18 HB3 ARG 18 -5.802 -6.323 -0.412
126 HG2 ARG 18 HG2 ARG 18 -6.743 -8.077 -1.369
127 HG3 ARG 18 HG3 ARG 18 -5.525 -8.020 -2.630
128 HD2 ARG 18 HD2 ARG 18 -5.575 -10.226 -1.687
129 HD3 ARG 18 HD3 ARG 18 -4.069 -9.434 -1.228
130 HE ARG 18 HE ARG 18 -5.070 -9.049 0.963
131 HH11 ARG 18 HH11 ARG 18 -6.490 -11.522 -1.070
132 HH12 ARG 18 HH12 ARG 18 -7.137 -12.422 0.262
133 HH21 ARG 18 HH21 ARG 18 -5.933 -10.227 2.718
134 HH22 ARG 18 HH22 ARG 18 -6.831 -11.681 2.415
135 H GLY 19 HN GLY 19 -2.122 -4.704 -2.135
136 HA2 GLY 19 HA2 GLY 19 -2.904 -2.268 -0.819
137 HA3 GLY 19 HA1 GLY 19 -1.794 -3.245 0.122
138 H TRP 20 HN TRP 20 -1.577 -0.596 -1.520
139 HA TRP 20 HA TRP 20 1.090 -1.362 -2.475
140 HB2 TRP 20 HB2 TRP 20 -0.482 -0.823 -4.446
141 HB3 TRP 20 HB3 TRP 20 -0.444 0.829 -3.857
142 HD1 TRP 20 HD1 TRP 20 1.691 2.242 -4.304
143 HE1 TRP 20 HE1 TRP 20 3.883 1.863 -5.535
144 HE3 TRP 20 HE3 TRP 20 1.278 -2.784 -5.101
145 HZ2 TRP 20 HZ2 TRP 20 5.280 -0.297 -6.694
146 HZ3 TRP 20 HZ3 TRP 20 3.109 -3.929 -6.281
147 HH2 TRP 20 HH2 TRP 20 5.067 -2.707 -7.063
148 H CYS 21 HN CYS 21 2.651 -0.209 -1.650
149 HA CYS 21 HA CYS 21 2.090 1.864 0.229
150 HB2 CYS 21 HB2 CYS 21 4.760 1.058 -0.914
151 HB3 CYS 21 HB3 CYS 21 4.450 1.879 0.614
152 H ARG 22 HN ARG 22 1.385 3.724 -0.526
153 HA ARG 22 HA ARG 22 2.959 5.059 -2.634
154 HB2 ARG 22 HB2 ARG 22 -0.017 5.278 -2.159
155 HB3 ARG 22 HB3 ARG 22 0.882 6.122 -3.405
156 HG2 ARG 22 HG2 ARG 22 1.356 4.024 -4.495
157 HG3 ARG 22 HG3 ARG 22 0.538 3.145 -3.195
158 HD2 ARG 22 HD2 ARG 22 -1.504 4.524 -3.762
159 HD3 ARG 22 HD3 ARG 22 -0.656 5.008 -5.224
160 HE ARG 22 HE ARG 22 -1.938 2.527 -4.689
161 HH11 ARG 22 HH11 ARG 22 0.602 4.058 -6.547
162 HH12 ARG 22 HH12 ARG 22 0.581 2.857 -7.796
163 HH21 ARG 22 HH21 ARG 22 -1.977 0.961 -6.340
164 HH22 ARG 22 HH22 ARG 22 -0.883 1.093 -7.679
165 HA PRO 23 HA PRO 23 3.020 8.409 0.353
166 HB2 PRO 23 HB2 PRO 23 3.475 10.497 -1.335
167 HB3 PRO 23 HB3 PRO 23 4.733 9.382 -0.801
168 HG2 PRO 23 HG2 PRO 23 3.376 9.587 -3.409
169 HG3 PRO 23 HG3 PRO 23 4.979 8.953 -3.017
170 HD2 PRO 23 HD2 PRO 23 2.673 7.450 -3.574
171 HD3 PRO 23 HD3 PRO 23 4.192 6.843 -2.893
172 H THR 24 HN THR 24 0.842 8.120 -2.214
173 HA THR 24 HA THR 24 -1.196 9.558 -0.789
174 HB THR 24 HB THR 24 -0.304 11.411 -2.045
175 HG1 THR 24 HG1 THR 24 -2.428 11.704 -2.127
176 HG21 THR 24 HG21 THR 24 0.902 10.155 -3.757
177 HG22 THR 24 HG22 THR 24 -0.129 11.387 -4.485
178 HG23 THR 24 HG23 THR 24 -0.627 9.694 -4.506
179 H CYS 25 HN CYS 25 -3.187 8.694 -1.187
180 HA CYS 25 HA CYS 25 -3.180 6.217 -2.690
181 HB2 CYS 25 HB2 CYS 25 -5.244 7.476 -0.876
182 HB3 CYS 25 HB3 CYS 25 -5.403 5.889 -1.619
183 H PHE 26 HN PHE 26 -4.433 5.703 -4.394
184 HA PHE 26 HA PHE 26 -5.181 7.866 -6.121
185 HB2 PHE 26 HB2 PHE 26 -5.262 4.863 -6.373
186 HB3 PHE 26 HB3 PHE 26 -5.871 5.930 -7.638
187 HD1 PHE 26 HD1 PHE 26 -2.884 6.592 -5.557
188 HD2 PHE 26 HD2 PHE 26 -4.362 5.347 -9.343
189 HE1 PHE 26 HE1 PHE 26 -0.621 6.767 -6.494
190 HE2 PHE 26 HE2 PHE 26 -2.099 5.521 -10.288
191 HZ PHE 26 HZ PHE 26 -0.224 6.229 -8.862
192 H SER 27 HN SER 27 -7.299 7.670 -7.366
193 HA SER 27 HA SER 27 -9.402 8.021 -5.449
194 HB2 SER 27 HB2 SER 27 -9.078 9.505 -7.419
195 HB3 SER 27 HB3 SER 27 -9.514 8.163 -8.472
196 HG SER 27 HG SER 27 -11.525 8.590 -8.107
197 H HIS 28 HN HIS 28 -8.470 5.338 -5.592
198 HA HIS 28 HA HIS 28 -10.979 4.004 -5.709
199 HB2 HIS 28 HB2 HIS 28 -10.373 2.282 -7.374
200 HB3 HIS 28 HB3 HIS 28 -10.495 3.879 -8.095
201 HD1 HIS 28 HD1 HIS 28 -8.421 0.987 -8.127
202 HD2 HIS 28 HD2 HIS 28 -7.713 5.079 -8.332
203 HE1 HIS 28 HE1 HIS 28 -6.157 1.228 -9.182
204 HE2 HIS 28 HE2 HIS 28 -5.832 3.705 -9.466
205 H GLU 29 HN GLU 29 -8.781 4.605 -3.910
206 HA GLU 29 HA GLU 29 -8.203 1.912 -2.954
207 HB2 GLU 29 HB2 GLU 29 -6.034 3.992 -3.269
208 HB3 GLU 29 HB3 GLU 29 -5.846 2.358 -2.651
209 HG2 GLU 29 HG2 GLU 29 -6.319 1.437 -4.825
210 HG3 GLU 29 HG3 GLU 29 -6.664 3.042 -5.466
211 H TYR 30 HN TYR 30 -7.214 2.031 -0.728
212 HA TYR 30 HA TYR 30 -7.900 4.491 0.712
213 HB2 TYR 30 HB2 TYR 30 -9.107 3.267 2.423
214 HB3 TYR 30 HB3 TYR 30 -9.843 2.961 0.858
215 HD1 TYR 30 HD1 TYR 30 -9.673 0.730 -0.187
216 HD2 TYR 30 HD2 TYR 30 -7.988 1.517 3.646
217 HE1 TYR 30 HE1 TYR 30 -9.520 -1.692 0.238
218 HE2 TYR 30 HE2 TYR 30 -7.826 -0.883 4.079
219 HH TYR 30 HH TYR 30 -8.682 -2.927 3.398
220 H THR 31 HN THR 31 -6.859 4.669 2.796
221 HA THR 31 HA THR 31 -4.232 3.445 2.776
222 HB THR 31 HB THR 31 -5.401 5.390 4.782
223 HG1 THR 31 HG1 THR 31 -4.423 5.730 2.206
224 HG21 THR 31 HG21 THR 31 -3.472 4.365 5.706
225 HG22 THR 31 HG22 THR 31 -2.944 5.935 5.096
226 HG23 THR 31 HG23 THR 31 -2.602 4.468 4.181
227 H ASP 32 HN ASP 32 -4.144 1.422 3.500
228 HA ASP 32 HA ASP 32 -5.520 0.714 5.972
229 HB2 ASP 32 HB2 ASP 32 -5.025 -0.872 3.919
230 HB3 ASP 32 HB3 ASP 32 -3.469 -1.012 4.684
231 H TRP 33 HN TRP 33 -4.610 1.083 7.868
232 HA TRP 33 HA TRP 33 -1.956 2.153 7.931
233 HB2 TRP 33 HB2 TRP 33 -4.168 1.890 9.939
234 HB3 TRP 33 HB3 TRP 33 -2.559 2.449 10.401
235 HD1 TRP 33 HD1 TRP 33 -5.717 3.638 8.687
236 HE1 TRP 33 HE1 TRP 33 -5.404 6.072 7.913
237 HE3 TRP 33 HE3 TRP 33 -0.714 4.080 9.518
238 HZ2 TRP 33 HZ2 TRP 33 -3.281 7.935 7.679
239 HZ3 TRP 33 HZ3 TRP 33 0.396 6.194 8.975
240 HH2 TRP 33 HH2 TRP 33 -0.860 8.090 8.072
241 H PHE 34 HN PHE 34 -3.256 -0.919 8.196
242 HA PHE 34 HA PHE 34 -1.435 -2.047 10.100
243 HB2 PHE 34 HB2 PHE 34 -3.664 -3.033 9.387
244 HB3 PHE 34 HB3 PHE 34 -2.890 -3.472 7.859
245 HD1 PHE 34 HD1 PHE 34 -2.282 -3.818 11.531
246 HD2 PHE 34 HD2 PHE 34 -2.096 -5.607 7.674
247 HE1 PHE 34 HE1 PHE 34 -1.498 -5.916 12.546
248 HE2 PHE 34 HE2 PHE 34 -1.309 -7.706 8.684
249 HZ PHE 34 HZ PHE 34 -1.009 -7.866 11.122
250 H ASN 35 HN ASN 35 -1.712 -2.405 6.572
251 HA ASN 35 HA ASN 35 0.981 -3.360 6.408
252 HB2 ASN 35 HB2 ASN 35 -0.187 -2.607 3.856
253 HB3 ASN 35 HB3 ASN 35 0.376 -4.151 4.428
254 HD21 ASN 35 HD21 ASN 35 -1.039 -5.547 5.413
255 HD22 ASN 35 HD22 ASN 35 -2.749 -5.379 5.279
256 H ASN 36 HN ASN 36 -0.429 -0.324 6.597
257 HA ASN 36 HA ASN 36 1.407 1.329 5.312
258 HB2 ASN 36 HB2 ASN 36 -0.422 1.516 7.530
259 HB3 ASN 36 HB3 ASN 36 1.047 2.393 7.890
260 HD21 ASN 36 HD21 ASN 36 1.163 4.389 7.218
261 HD22 ASN 36 HD22 ASN 36 0.185 5.110 5.997
262 H ASP 37 HN ASP 37 1.554 -0.383 8.378
263 HA ASP 37 HA ASP 37 4.057 0.431 9.281
264 HB2 ASP 37 HB2 ASP 37 2.647 -0.764 10.771
265 HB3 ASP 37 HB3 ASP 37 2.526 -2.128 9.668
266 H VAL 38 HN VAL 38 3.213 -2.305 7.130
267 HA VAL 38 HA VAL 38 5.940 -3.135 6.861
268 HB VAL 38 HB VAL 38 5.325 -4.597 5.122
269 HG11 VAL 38 HG11 VAL 38 2.965 -4.353 6.974
270 HG12 VAL 38 HG12 VAL 38 4.457 -5.239 7.286
271 HG13 VAL 38 HG13 VAL 38 3.370 -5.767 6.002
272 HG21 VAL 38 HG21 VAL 38 2.749 -3.061 4.749
273 HG22 VAL 38 HG22 VAL 38 3.248 -4.507 3.862
274 HG23 VAL 38 HG23 VAL 38 4.155 -3.003 3.678
275 H CYS 39 HN CYS 39 3.910 -0.932 5.075
276 HA CYS 39 HA CYS 39 5.566 -0.380 2.928
277 HB2 CYS 39 HB2 CYS 39 3.594 1.358 4.409
278 HB3 CYS 39 HB3 CYS 39 4.379 1.850 2.911
279 H GLY 40 HN GLY 40 5.603 0.955 6.204
280 HA2 GLY 40 HA2 GLY 40 7.559 1.757 7.260
281 HA3 GLY 40 HA1 GLY 40 8.312 1.927 5.685
282 H SER 41 HN SER 41 8.149 3.805 4.583
283 HA SER 41 HA SER 41 7.239 6.077 6.173
284 HB2 SER 41 HB2 SER 41 9.530 6.036 5.260
285 HB3 SER 41 HB3 SER 41 8.874 5.961 3.628
286 HG SER 41 HG SER 41 9.011 8.060 3.768
287 H TYR 42 HN TYR 42 6.209 4.154 3.611
288 HA TYR 42 HA TYR 42 4.394 6.204 2.565
289 HB2 TYR 42 HB2 TYR 42 5.327 3.542 1.576
290 HB3 TYR 42 HB3 TYR 42 3.777 4.162 1.025
291 HD1 TYR 42 HD1 TYR 42 5.588 7.049 1.484
292 HD2 TYR 42 HD2 TYR 42 5.484 3.638 -1.050
293 HE1 TYR 42 HE1 TYR 42 6.709 8.328 -0.273
294 HE2 TYR 42 HE2 TYR 42 6.603 4.902 -2.807
295 HH TYR 42 HH TYR 42 8.117 7.884 -2.265
296 H ARG 43 HN ARG 43 2.229 5.048 1.874
297 HA ARG 43 HA ARG 43 1.164 3.742 4.283
298 HB2 ARG 43 HB2 ARG 43 -0.897 5.044 3.939
299 HB3 ARG 43 HB3 ARG 43 0.488 6.084 4.209
300 HG2 ARG 43 HG2 ARG 43 0.580 6.127 1.592
301 HG3 ARG 43 HG3 ARG 43 -1.116 5.666 1.746
302 HD2 ARG 43 HD2 ARG 43 -0.876 8.082 1.582
303 HD3 ARG 43 HD3 ARG 43 -1.526 7.610 3.150
304 HE ARG 43 HE ARG 43 1.350 8.148 2.867
305 HH11 ARG 43 HH11 ARG 43 -1.782 9.016 4.177
306 HH12 ARG 43 HH12 ARG 43 -1.132 10.094 5.369
307 HH21 ARG 43 HH21 ARG 43 2.212 9.583 4.431
308 HH22 ARG 43 HH22 ARG 43 1.144 10.419 5.511
309 H CYS 44 HN CYS 44 -0.489 2.141 3.924
310 HA CYS 44 HA CYS 44 -0.063 0.873 1.355
311 HB2 CYS 44 HB2 CYS 44 -0.030 -0.525 3.344
312 HB3 CYS 44 HB3 CYS 44 -1.662 -0.078 3.741
313 H CYS 45 HN CYS 45 -1.084 2.141 -0.087
314 HA CYS 45 HA CYS 45 -3.877 2.753 0.146
315 HB2 CYS 45 HB2 CYS 45 -1.997 2.925 -2.217
316 HB3 CYS 45 HB3 CYS 45 -3.616 3.622 -2.143
317 H ARG 46 HN ARG 46 -4.686 0.707 0.549
318 HA ARG 46 HA ARG 46 -4.459 -1.472 -1.269
319 HB2 ARG 46 HB2 ARG 46 -6.531 -0.893 0.853
320 HB3 ARG 46 HB3 ARG 46 -6.319 -2.436 0.040
321 HG2 ARG 46 HG2 ARG 46 -4.006 -2.515 0.982
322 HG3 ARG 46 HG3 ARG 46 -4.405 -1.076 1.919
323 HD2 ARG 46 HD2 ARG 46 -4.747 -2.941 3.341
324 HD3 ARG 46 HD3 ARG 46 -6.345 -2.359 2.870
325 HE ARG 46 HE ARG 46 -5.549 -4.381 1.103
326 HH11 ARG 46 HH11 ARG 46 -6.405 -3.936 4.466
327 HH12 ARG 46 HH12 ARG 46 -7.107 -5.520 4.633
328 HH21 ARG 46 HH21 ARG 46 -6.465 -6.484 1.328
329 HH22 ARG 46 HH22 ARG 46 -7.128 -6.975 2.851
330 HA PRO 47 HA PRO 47 -7.407 -0.172 -4.381
331 HB2 PRO 47 HB2 PRO 47 -7.876 -3.112 -4.474
332 HB3 PRO 47 HB3 PRO 47 -7.533 -1.991 -5.794
333 HG2 PRO 47 HG2 PRO 47 -5.667 -3.678 -4.894
334 HG3 PRO 47 HG3 PRO 47 -5.253 -2.038 -5.421
335 HD2 PRO 47 HD2 PRO 47 -5.454 -3.147 -2.666
336 HD3 PRO 47 HD3 PRO 47 -4.376 -1.890 -3.304
337 H GLY 48 HN GLY 48 -9.497 0.401 -4.019
338 HA2 GLY 48 HA2 GLY 48 -10.781 -0.287 -1.607
339 HA3 GLY 48 HA1 GLY 48 -11.539 0.535 -2.963
340 H ARG 49 HN ARG 49 -10.343 -2.261 -4.137
341 HA ARG 49 HA ARG 49 -12.593 -3.931 -3.340
342 HB2 ARG 49 HB2 ARG 49 -12.525 -4.666 -5.896
343 HB3 ARG 49 HB3 ARG 49 -13.552 -3.366 -5.325
344 HG2 ARG 49 HG2 ARG 49 -12.455 -2.753 -7.396
345 HG3 ARG 49 HG3 ARG 49 -11.909 -1.721 -6.077
346 HD2 ARG 49 HD2 ARG 49 -10.090 -2.442 -7.601
347 HD3 ARG 49 HD3 ARG 49 -9.832 -2.920 -5.925
348 HE ARG 49 HE ARG 49 -11.059 -5.071 -7.079
349 HH11 ARG 49 HH11 ARG 49 -8.171 -3.223 -7.775
350 HH12 ARG 49 HH12 ARG 49 -7.301 -4.580 -8.410
351 HH21 ARG 49 HH21 ARG 49 -9.926 -6.861 -7.896
352 HH22 ARG 49 HH22 ARG 49 -8.306 -6.657 -8.485
353 H AAR 50 HN AAR 50 -9.712 -3.854 -2.720
354 HA AAR 50 HA AAR 50 -8.124 -5.650 -3.920
355 HB2 AAR 50 HB2 AAR 50 -7.475 -6.261 -1.403
356 HB3 AAR 50 HB3 AAR 50 -6.980 -4.782 -2.198
357 HG2 AAR 50 HG2 AAR 50 -7.719 -4.249 -0.004
358 HG3 AAR 50 HG3 AAR 50 -8.912 -3.636 -1.142
359 HD2 AAR 50 HD2 AAR 50 -10.356 -5.532 -0.674
360 HD3 AAR 50 HD3 AAR 50 -9.146 -6.204 0.419
361 HE AAR 50 HE AAR 50 -9.501 -3.887 1.595
362 HH11 AAR 50 HH21 AAR 50 -11.189 -3.172 2.967
363 HH12 AAR 50 HH22 AAR 50 -12.780 -3.839 2.797
364 HH21 AAR 50 HH11 AAR 50 -11.932 -5.977 0.153
365 HH22 AAR 50 HH12 AAR 50 -13.203 -5.429 1.194
366 HNT1 AAR 50 HNT1 AAR 50 -8.459 -7.611 -4.667
367 HNT2 AAR 50 HNT2 AAR 50 -9.355 -8.876 -3.867
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 10.326 -3.385 2.973
2 H2 SER 1 HT2 SER 1 11.362 -2.718 1.917
3 H3 SER 1 HT3 SER 1 11.568 -4.257 2.390
4 HA SER 1 HA SER 1 9.288 -3.271 0.855
5 HB2 SER 1 HB2 SER 1 11.669 -4.903 -0.026
6 HB3 SER 1 HB3 SER 1 10.275 -4.491 -1.025
7 HG SER 1 HG SER 1 12.443 -2.963 -0.326
8 H TYR 2 HN TYR 2 7.713 -4.322 1.921
9 HA TYR 2 HA TYR 2 7.602 -6.814 3.012
10 HB2 TYR 2 HB2 TYR 2 5.745 -5.297 3.181
11 HB3 TYR 2 HB3 TYR 2 5.495 -5.325 1.443
12 HD1 TYR 2 HD1 TYR 2 4.049 -6.890 0.469
13 HD2 TYR 2 HD2 TYR 2 5.313 -7.438 4.492
14 HE1 TYR 2 HE1 TYR 2 2.413 -8.702 0.727
15 HE2 TYR 2 HE2 TYR 2 3.682 -9.261 4.759
16 HH TYR 2 HH TYR 2 2.045 -10.658 2.106
17 H GLN 3 HN GLN 3 7.166 -6.003 -0.410
18 HA GLN 3 HA GLN 3 7.984 -8.679 -1.123
19 HB2 GLN 3 HB2 GLN 3 5.508 -8.808 -0.828
20 HB3 GLN 3 HB3 GLN 3 5.331 -7.594 -2.084
21 HG2 GLN 3 HG2 GLN 3 6.099 -9.044 -3.754
22 HG3 GLN 3 HG3 GLN 3 6.770 -10.175 -2.581
23 HE21 GLN 3 HE21 GLN 3 4.484 -10.147 -0.843
24 HE22 GLN 3 HE22 GLN 3 3.226 -11.020 -1.643
25 H ARG 4 HN ARG 4 9.748 -7.819 -2.075
26 HA ARG 4 HA ARG 4 11.018 -7.147 -3.820
27 HB2 ARG 4 HB2 ARG 4 9.262 -8.187 -5.230
28 HB3 ARG 4 HB3 ARG 4 8.419 -6.646 -5.277
29 HG2 ARG 4 HG2 ARG 4 10.455 -5.658 -6.336
30 HG3 ARG 4 HG3 ARG 4 11.114 -7.291 -6.446
31 HD2 ARG 4 HD2 ARG 4 8.598 -6.243 -7.744
32 HD3 ARG 4 HD3 ARG 4 10.092 -6.724 -8.547
33 HE ARG 4 HE ARG 4 8.689 -8.752 -6.986
34 HH11 ARG 4 HH11 ARG 4 9.417 -7.411 -10.134
35 HH12 ARG 4 HH12 ARG 4 9.014 -8.867 -10.988
36 HH21 ARG 4 HH21 ARG 4 8.169 -10.671 -8.099
37 HH22 ARG 4 HH22 ARG 4 8.318 -10.729 -9.829
38 H ILE 5 HN ILE 5 11.976 -5.283 -4.544
39 HA ILE 5 HA ILE 5 10.939 -2.771 -3.499
40 HB ILE 5 HB ILE 5 13.509 -3.230 -5.033
41 HG12 ILE 5 HG12 ILE 5 13.097 -3.185 -2.034
42 HG13 ILE 5 HG11 ILE 5 13.441 -4.624 -2.985
43 HG21 ILE 5 HG21 ILE 5 12.773 -0.917 -4.968
44 HG22 ILE 5 HG22 ILE 5 14.205 -1.131 -3.962
45 HG23 ILE 5 HG23 ILE 5 12.613 -0.997 -3.213
46 HD11 ILE 5 HD11 ILE 5 15.608 -3.700 -3.606
47 HD12 ILE 5 HD12 ILE 5 15.428 -3.809 -1.855
48 HD13 ILE 5 HD13 ILE 5 15.262 -2.251 -2.662
49 H ARG 6 HN ARG 6 9.358 -1.984 -4.789
50 HA ARG 6 HA ARG 6 9.306 -2.774 -7.551
51 HB2 ARG 6 HB2 ARG 6 7.264 -1.131 -6.074
52 HB3 ARG 6 HB3 ARG 6 7.057 -2.084 -7.527
53 HG2 ARG 6 HG2 ARG 6 7.765 -3.304 -4.888
54 HG3 ARG 6 HG3 ARG 6 6.102 -3.070 -5.435
55 HD2 ARG 6 HD2 ARG 6 6.691 -4.347 -7.479
56 HD3 ARG 6 HD3 ARG 6 8.240 -4.715 -6.733
57 HE ARG 6 HE ARG 6 6.740 -5.682 -4.865
58 HH11 ARG 6 HH11 ARG 6 6.036 -5.755 -8.308
59 HH12 ARG 6 HH12 ARG 6 5.137 -7.234 -8.223
60 HH21 ARG 6 HH21 ARG 6 5.545 -7.630 -4.764
61 HH22 ARG 6 HH22 ARG 6 4.859 -8.308 -6.205
62 H SER 7 HN SER 7 8.226 0.375 -6.276
63 HA SER 7 HA SER 7 9.272 1.581 -8.708
64 HB2 SER 7 HB2 SER 7 7.629 2.889 -6.530
65 HB3 SER 7 HB3 SER 7 7.890 3.477 -8.169
66 HG SER 7 HG SER 7 6.927 1.067 -8.448
67 H ASP 8 HN ASP 8 9.452 2.140 -5.201
68 HA ASP 8 HA ASP 8 12.167 3.121 -5.566
69 HB2 ASP 8 HB2 ASP 8 11.809 5.019 -4.055
70 HB3 ASP 8 HB3 ASP 8 10.819 5.156 -5.495
71 H HIS 9 HN HIS 9 12.566 3.874 -2.883
72 HA HIS 9 HA HIS 9 13.532 1.513 -1.888
73 HB2 HIS 9 HB2 HIS 9 12.887 4.115 -0.526
74 HB3 HIS 9 HB3 HIS 9 13.683 2.787 0.294
75 HD1 HIS 9 HD1 HIS 9 16.058 2.057 -0.738
76 HD2 HIS 9 HD2 HIS 9 14.539 5.716 -1.991
77 HE1 HIS 9 HE1 HIS 9 18.001 3.286 -1.750
78 HE2 HIS 9 HE2 HIS 9 17.090 5.546 -2.376
79 H ASP 10 HN ASP 10 10.371 2.995 -1.249
80 HA ASP 10 HA ASP 10 9.706 0.518 0.189
81 HB2 ASP 10 HB2 ASP 10 10.024 2.887 1.564
82 HB3 ASP 10 HB3 ASP 10 8.288 2.807 1.296
83 H SER 11 HN SER 11 8.965 2.474 -2.326
84 HA SER 11 HA SER 11 6.109 2.198 -2.182
85 HB2 SER 11 HB2 SER 11 7.406 3.971 -3.503
86 HB3 SER 11 HB3 SER 11 7.698 2.695 -4.664
87 HG SER 11 HG SER 11 5.115 3.466 -3.791
88 H HIS 12 HN HIS 12 5.851 0.019 -1.762
89 HA HIS 12 HA HIS 12 6.261 -1.753 -4.079
90 HB2 HIS 12 HB2 HIS 12 6.616 -3.623 -2.409
91 HB3 HIS 12 HB3 HIS 12 7.940 -2.473 -2.536
92 HD1 HIS 12 HD1 HIS 12 5.126 -3.478 -0.193
93 HD2 HIS 12 HD2 HIS 12 8.554 -1.149 -0.181
94 HE1 HIS 12 HE1 HIS 12 5.499 -2.786 2.210
95 HE2 HIS 12 HE2 HIS 12 7.408 -1.151 2.110
96 H SER 13 HN SER 13 4.953 -3.851 -3.649
97 HA SER 13 HA SER 13 2.251 -3.124 -3.042
98 HB2 SER 13 HB2 SER 13 1.813 -5.557 -3.528
99 HB3 SER 13 HB3 SER 13 2.603 -4.686 -4.841
100 HG SER 13 HG SER 13 3.429 -6.872 -4.000
101 H CYS 14 HN CYS 14 1.013 -3.914 -1.360
102 HA CYS 14 HA CYS 14 2.373 -5.471 0.705
103 HB2 CYS 14 HB2 CYS 14 1.414 -4.041 2.459
104 HB3 CYS 14 HB3 CYS 14 2.512 -3.143 1.426
105 H ALA 15 HN ALA 15 0.619 -6.126 2.380
106 HA ALA 15 HA ALA 15 -1.104 -7.565 2.721
107 HB1 ALA 15 HB1 ALA 15 -2.568 -5.650 0.915
108 HB2 ALA 15 HB2 ALA 15 -2.331 -5.450 2.651
109 HB3 ALA 15 HB3 ALA 15 -3.302 -6.791 2.043
110 H ASN 16 HN ASN 16 0.606 -7.902 0.246
111 HA ASN 16 HA ASN 16 0.853 -9.376 -1.436
112 HB2 ASN 16 HB2 ASN 16 -1.470 -10.668 -0.027
113 HB3 ASN 16 HB3 ASN 16 -0.647 -11.410 -1.394
114 HD21 ASN 16 HD21 ASN 16 -0.859 -12.154 1.495
115 HD22 ASN 16 HD22 ASN 16 0.776 -12.340 2.026
116 H ASN 17 HN ASN 17 0.181 -7.399 -2.588
117 HA ASN 17 HA ASN 17 -0.640 -6.647 -4.583
118 HB2 ASN 17 HB2 ASN 17 -1.426 -8.354 -5.832
119 HB3 ASN 17 HB3 ASN 17 -2.066 -9.201 -4.425
120 HD21 ASN 17 HD21 ASN 17 -4.111 -8.592 -3.622
121 HD22 ASN 17 HD22 ASN 17 -5.299 -7.810 -4.616
122 H ARG 18 HN ARG 18 -2.682 -7.323 -1.848
123 HA ARG 18 HA ARG 18 -4.834 -5.670 -2.738
124 HB2 ARG 18 HB2 ARG 18 -4.279 -7.079 -0.130
125 HB3 ARG 18 HB3 ARG 18 -5.738 -6.145 -0.436
126 HG2 ARG 18 HG2 ARG 18 -6.541 -8.143 -1.054
127 HG3 ARG 18 HG3 ARG 18 -5.773 -7.731 -2.577
128 HD2 ARG 18 HD2 ARG 18 -5.082 -9.900 -2.198
129 HD3 ARG 18 HD3 ARG 18 -3.720 -8.931 -1.647
130 HE ARG 18 HE ARG 18 -4.511 -9.320 0.628
131 HH11 ARG 18 HH11 ARG 18 -5.683 -11.429 -1.907
132 HH12 ARG 18 HH12 ARG 18 -5.996 -12.753 -0.836
133 HH21 ARG 18 HH21 ARG 18 -4.950 -11.064 2.044
134 HH22 ARG 18 HH22 ARG 18 -5.586 -12.546 1.407
135 H GLY 19 HN GLY 19 -2.096 -4.513 -2.232
136 HA2 GLY 19 HA2 GLY 19 -2.924 -2.079 -0.936
137 HA3 GLY 19 HA1 GLY 19 -1.827 -3.049 0.027
138 H TRP 20 HN TRP 20 -1.605 -0.382 -1.594
139 HA TRP 20 HA TRP 20 1.091 -1.125 -2.503
140 HB2 TRP 20 HB2 TRP 20 -0.428 -0.483 -4.473
141 HB3 TRP 20 HB3 TRP 20 -0.410 1.142 -3.803
142 HD1 TRP 20 HD1 TRP 20 1.752 2.582 -4.126
143 HE1 TRP 20 HE1 TRP 20 3.969 2.249 -5.344
144 HE3 TRP 20 HE3 TRP 20 1.332 -2.399 -5.178
145 HZ2 TRP 20 HZ2 TRP 20 5.373 0.136 -6.582
146 HZ3 TRP 20 HZ3 TRP 20 3.175 -3.497 -6.381
147 HH2 TRP 20 HH2 TRP 20 5.152 -2.255 -7.068
148 H CYS 21 HN CYS 21 2.704 0.159 -1.900
149 HA CYS 21 HA CYS 21 2.222 2.091 0.179
150 HB2 CYS 21 HB2 CYS 21 4.802 1.342 -1.189
151 HB3 CYS 21 HB3 CYS 21 4.624 2.139 0.364
152 H ARG 22 HN ARG 22 1.153 3.788 -0.799
153 HA ARG 22 HA ARG 22 2.660 5.287 -2.850
154 HB2 ARG 22 HB2 ARG 22 -0.289 5.420 -2.219
155 HB3 ARG 22 HB3 ARG 22 0.522 6.274 -3.513
156 HG2 ARG 22 HG2 ARG 22 0.983 4.155 -4.612
157 HG3 ARG 22 HG3 ARG 22 0.178 3.294 -3.292
158 HD2 ARG 22 HD2 ARG 22 -1.831 4.776 -3.817
159 HD3 ARG 22 HD3 ARG 22 -1.005 5.154 -5.324
160 HE ARG 22 HE ARG 22 -2.438 2.785 -4.675
161 HH11 ARG 22 HH11 ARG 22 0.302 3.935 -6.553
162 HH12 ARG 22 HH12 ARG 22 0.113 2.727 -7.782
163 HH21 ARG 22 HH21 ARG 22 -2.683 1.232 -6.298
164 HH22 ARG 22 HH22 ARG 22 -1.572 1.185 -7.632
165 HA PRO 23 HA PRO 23 2.832 8.635 0.106
166 HB2 PRO 23 HB2 PRO 23 3.110 10.738 -1.565
167 HB3 PRO 23 HB3 PRO 23 4.411 9.578 -1.296
168 HG2 PRO 23 HG2 PRO 23 2.489 9.769 -3.576
169 HG3 PRO 23 HG3 PRO 23 4.226 9.420 -3.603
170 HD2 PRO 23 HD2 PRO 23 2.291 7.499 -3.795
171 HD3 PRO 23 HD3 PRO 23 3.910 7.201 -3.135
172 H THR 24 HN THR 24 0.500 8.412 -2.410
173 HA THR 24 HA THR 24 -1.474 9.724 -0.757
174 HB THR 24 HB THR 24 -0.607 11.570 -2.151
175 HG1 THR 24 HG1 THR 24 -2.620 12.148 -1.945
176 HG21 THR 24 HG21 THR 24 0.126 10.295 -4.091
177 HG22 THR 24 HG22 THR 24 -0.994 11.569 -4.572
178 HG23 THR 24 HG23 THR 24 -1.547 9.896 -4.477
179 H CYS 25 HN CYS 25 -3.444 8.788 -0.978
180 HA CYS 25 HA CYS 25 -3.562 6.382 -2.577
181 HB2 CYS 25 HB2 CYS 25 -5.543 7.581 -0.629
182 HB3 CYS 25 HB3 CYS 25 -5.662 5.978 -1.346
183 H PHE 26 HN PHE 26 -4.943 5.972 -4.268
184 HA PHE 26 HA PHE 26 -5.891 8.325 -5.671
185 HB2 PHE 26 HB2 PHE 26 -5.907 5.388 -6.387
186 HB3 PHE 26 HB3 PHE 26 -6.528 6.657 -7.442
187 HD1 PHE 26 HD1 PHE 26 -4.820 8.640 -7.854
188 HD2 PHE 26 HD2 PHE 26 -3.750 4.684 -6.713
189 HE1 PHE 26 HE1 PHE 26 -2.570 8.986 -8.781
190 HE2 PHE 26 HE2 PHE 26 -1.494 5.025 -7.635
191 HZ PHE 26 HZ PHE 26 -0.902 7.179 -8.670
192 H SER 27 HN SER 27 -8.123 8.024 -6.816
193 HA SER 27 HA SER 27 -10.000 8.119 -4.644
194 HB2 SER 27 HB2 SER 27 -10.419 8.543 -7.611
195 HB3 SER 27 HB3 SER 27 -11.571 8.954 -6.339
196 HG SER 27 HG SER 27 -9.760 10.283 -5.475
197 H HIS 28 HN HIS 28 -8.970 5.496 -5.210
198 HA HIS 28 HA HIS 28 -11.500 4.097 -5.326
199 HB2 HIS 28 HB2 HIS 28 -10.879 2.532 -7.052
200 HB3 HIS 28 HB3 HIS 28 -10.714 4.154 -7.710
201 HD1 HIS 28 HD1 HIS 28 -8.984 1.032 -7.539
202 HD2 HIS 28 HD2 HIS 28 -7.825 5.017 -7.562
203 HE1 HIS 28 HE1 HIS 28 -6.572 1.028 -8.232
204 HE2 HIS 28 HE2 HIS 28 -5.966 3.457 -8.456
205 H GLU 29 HN GLU 29 -9.223 4.740 -3.493
206 HA GLU 29 HA GLU 29 -8.559 2.000 -2.685
207 HB2 GLU 29 HB2 GLU 29 -6.598 4.283 -2.858
208 HB3 GLU 29 HB3 GLU 29 -6.250 2.694 -2.205
209 HG2 GLU 29 HG2 GLU 29 -6.604 1.699 -4.388
210 HG3 GLU 29 HG3 GLU 29 -7.032 3.275 -5.052
211 H TYR 30 HN TYR 30 -7.381 2.133 -0.463
212 HA TYR 30 HA TYR 30 -8.326 4.326 1.202
213 HB2 TYR 30 HB2 TYR 30 -9.425 2.866 2.801
214 HB3 TYR 30 HB3 TYR 30 -10.156 2.656 1.218
215 HD1 TYR 30 HD1 TYR 30 -8.066 1.105 3.802
216 HD2 TYR 30 HD2 TYR 30 -9.980 0.514 0.028
217 HE1 TYR 30 HE1 TYR 30 -7.756 -1.311 4.041
218 HE2 TYR 30 HE2 TYR 30 -9.694 -1.910 0.272
219 HH TYR 30 HH TYR 30 -8.773 -3.380 3.209
220 H THR 31 HN THR 31 -7.165 4.514 3.189
221 HA THR 31 HA THR 31 -4.502 3.408 3.035
222 HB THR 31 HB THR 31 -5.673 5.128 5.230
223 HG1 THR 31 HG1 THR 31 -4.979 5.739 2.643
224 HG21 THR 31 HG21 THR 31 -3.294 5.776 5.563
225 HG22 THR 31 HG22 THR 31 -2.836 4.546 4.385
226 HG23 THR 31 HG23 THR 31 -3.616 4.074 5.896
227 H ASP 32 HN ASP 32 -4.333 1.331 3.606
228 HA ASP 32 HA ASP 32 -5.546 0.400 6.072
229 HB2 ASP 32 HB2 ASP 32 -4.949 -1.050 3.970
230 HB3 ASP 32 HB3 ASP 32 -3.348 -1.031 4.651
231 H TRP 33 HN TRP 33 -4.544 0.407 8.004
232 HA TRP 33 HA TRP 33 -1.952 1.708 8.124
233 HB2 TRP 33 HB2 TRP 33 -4.170 1.274 10.096
234 HB3 TRP 33 HB3 TRP 33 -2.575 1.827 10.605
235 HD1 TRP 33 HD1 TRP 33 -5.746 3.084 8.973
236 HE1 TRP 33 HE1 TRP 33 -5.463 5.565 8.354
237 HE3 TRP 33 HE3 TRP 33 -0.744 3.528 9.806
238 HZ2 TRP 33 HZ2 TRP 33 -3.364 7.463 8.233
239 HZ3 TRP 33 HZ3 TRP 33 0.334 5.691 9.397
240 HH2 TRP 33 HH2 TRP 33 -0.943 7.614 8.626
241 H PHE 34 HN PHE 34 -3.204 -1.415 8.252
242 HA PHE 34 HA PHE 34 -1.265 -2.580 10.026
243 HB2 PHE 34 HB2 PHE 34 -3.486 -3.631 9.363
244 HB3 PHE 34 HB3 PHE 34 -2.779 -3.928 7.769
245 HD1 PHE 34 HD1 PHE 34 -2.224 -4.603 11.388
246 HD2 PHE 34 HD2 PHE 34 -1.638 -5.897 7.377
247 HE1 PHE 34 HE1 PHE 34 -1.299 -6.728 12.214
248 HE2 PHE 34 HE2 PHE 34 -0.712 -8.025 8.195
249 HZ PHE 34 HZ PHE 34 -0.540 -8.444 10.617
250 H ASN 35 HN ASN 35 -1.751 -2.749 6.517
251 HA ASN 35 HA ASN 35 0.944 -3.571 6.078
252 HB2 ASN 35 HB2 ASN 35 -0.588 -2.518 3.788
253 HB3 ASN 35 HB3 ASN 35 0.295 -4.009 3.965
254 HD21 ASN 35 HD21 ASN 35 -0.705 -5.728 5.062
255 HD22 ASN 35 HD22 ASN 35 -2.415 -5.891 5.081
256 H ASN 36 HN ASN 36 -0.362 -0.666 6.889
257 HA ASN 36 HA ASN 36 1.385 1.058 5.419
258 HB2 ASN 36 HB2 ASN 36 -0.737 1.730 6.690
259 HB3 ASN 36 HB3 ASN 36 0.242 1.633 8.140
260 HD21 ASN 36 HD21 ASN 36 -1.133 3.812 6.672
261 HD22 ASN 36 HD22 ASN 36 0.059 5.050 6.520
262 H ASP 37 HN ASP 37 1.518 -0.814 8.357
263 HA ASP 37 HA ASP 37 3.875 0.251 9.438
264 HB2 ASP 37 HB2 ASP 37 2.377 -1.252 10.692
265 HB3 ASP 37 HB3 ASP 37 2.850 -2.582 9.643
266 H VAL 38 HN VAL 38 3.314 -2.291 7.046
267 HA VAL 38 HA VAL 38 6.089 -2.978 6.814
268 HB VAL 38 HB VAL 38 5.566 -4.319 4.951
269 HG11 VAL 38 HG11 VAL 38 4.727 -5.190 7.049
270 HG12 VAL 38 HG12 VAL 38 3.681 -5.672 5.715
271 HG13 VAL 38 HG13 VAL 38 3.187 -4.369 6.794
272 HG21 VAL 38 HG21 VAL 38 3.477 -4.252 3.699
273 HG22 VAL 38 HG22 VAL 38 4.324 -2.704 3.614
274 HG23 VAL 38 HG23 VAL 38 2.922 -2.887 4.675
275 H CYS 39 HN CYS 39 4.021 -0.627 5.383
276 HA CYS 39 HA CYS 39 5.941 0.157 3.373
277 HB2 CYS 39 HB2 CYS 39 3.320 1.399 4.242
278 HB3 CYS 39 HB3 CYS 39 4.284 1.937 2.871
279 H GLY 40 HN GLY 40 7.584 0.481 5.155
280 HA2 GLY 40 HA2 GLY 40 7.238 2.652 6.990
281 HA3 GLY 40 HA1 GLY 40 8.725 1.761 6.708
282 H SER 41 HN SER 41 6.612 4.131 5.194
283 HA SER 41 HA SER 41 8.216 6.288 4.912
284 HB2 SER 41 HB2 SER 41 9.823 4.841 3.639
285 HB3 SER 41 HB3 SER 41 8.561 4.542 2.448
286 HG SER 41 HG SER 41 10.116 6.801 2.875
287 H TYR 42 HN TYR 42 5.878 4.144 3.719
288 HA TYR 42 HA TYR 42 4.350 6.313 2.436
289 HB2 TYR 42 HB2 TYR 42 4.905 3.504 1.542
290 HB3 TYR 42 HB3 TYR 42 3.509 4.389 0.942
291 HD1 TYR 42 HD1 TYR 42 4.193 6.903 0.223
292 HD2 TYR 42 HD2 TYR 42 6.748 3.512 0.143
293 HE1 TYR 42 HE1 TYR 42 5.606 8.011 -1.434
294 HE2 TYR 42 HE2 TYR 42 8.177 4.617 -1.486
295 HH TYR 42 HH TYR 42 8.148 6.366 -3.095
296 H ARG 43 HN ARG 43 2.088 4.981 1.879
297 HA ARG 43 HA ARG 43 1.183 3.728 4.371
298 HB2 ARG 43 HB2 ARG 43 -0.884 4.990 4.290
299 HB3 ARG 43 HB3 ARG 43 0.468 6.108 4.308
300 HG2 ARG 43 HG2 ARG 43 0.061 5.822 1.641
301 HG3 ARG 43 HG3 ARG 43 -1.581 5.667 2.269
302 HD2 ARG 43 HD2 ARG 43 -1.241 7.973 1.849
303 HD3 ARG 43 HD3 ARG 43 -1.147 7.761 3.599
304 HE ARG 43 HE ARG 43 1.384 7.672 2.201
305 HH11 ARG 43 HH11 ARG 43 -0.936 9.653 3.900
306 HH12 ARG 43 HH12 ARG 43 0.214 10.888 4.297
307 HH21 ARG 43 HH21 ARG 43 2.913 9.300 2.720
308 HH22 ARG 43 HH22 ARG 43 2.404 10.682 3.637
309 H CYS 44 HN CYS 44 -0.462 2.106 4.031
310 HA CYS 44 HA CYS 44 -0.164 0.963 1.401
311 HB2 CYS 44 HB2 CYS 44 -0.058 -0.517 3.326
312 HB3 CYS 44 HB3 CYS 44 -1.685 -0.096 3.791
313 H CYS 45 HN CYS 45 -1.219 2.302 0.056
314 HA CYS 45 HA CYS 45 -4.008 2.898 0.379
315 HB2 CYS 45 HB2 CYS 45 -2.187 3.141 -2.025
316 HB3 CYS 45 HB3 CYS 45 -3.813 3.812 -1.906
317 H ARG 46 HN ARG 46 -4.857 0.858 0.722
318 HA ARG 46 HA ARG 46 -4.559 -1.273 -1.151
319 HB2 ARG 46 HB2 ARG 46 -6.588 -0.837 1.041
320 HB3 ARG 46 HB3 ARG 46 -6.390 -2.334 0.142
321 HG2 ARG 46 HG2 ARG 46 -4.026 -2.400 0.990
322 HG3 ARG 46 HG3 ARG 46 -4.451 -1.050 2.043
323 HD2 ARG 46 HD2 ARG 46 -4.754 -2.911 3.398
324 HD3 ARG 46 HD3 ARG 46 -6.384 -2.548 2.836
325 HE ARG 46 HE ARG 46 -5.489 -4.365 1.045
326 HH11 ARG 46 HH11 ARG 46 -5.656 -4.235 4.536
327 HH12 ARG 46 HH12 ARG 46 -5.783 -5.959 4.728
328 HH21 ARG 46 HH21 ARG 46 -5.684 -6.653 1.297
329 HH22 ARG 46 HH22 ARG 46 -5.795 -7.334 2.885
330 HA PRO 47 HA PRO 47 -7.582 0.003 -4.204
331 HB2 PRO 47 HB2 PRO 47 -7.789 -2.961 -4.390
332 HB3 PRO 47 HB3 PRO 47 -7.572 -1.772 -5.674
333 HG2 PRO 47 HG2 PRO 47 -5.553 -3.325 -4.824
334 HG3 PRO 47 HG3 PRO 47 -5.293 -1.662 -5.369
335 HD2 PRO 47 HD2 PRO 47 -5.250 -2.778 -2.629
336 HD3 PRO 47 HD3 PRO 47 -4.402 -1.369 -3.291
337 H GLY 48 HN GLY 48 -9.719 0.356 -3.844
338 HA2 GLY 48 HA2 GLY 48 -11.006 -0.517 -1.515
339 HA3 GLY 48 HA1 GLY 48 -11.821 0.176 -2.913
340 H ARG 49 HN ARG 49 -10.386 -2.284 -4.286
341 HA ARG 49 HA ARG 49 -12.423 -4.268 -3.528
342 HB2 ARG 49 HB2 ARG 49 -11.750 -5.203 -5.923
343 HB3 ARG 49 HB3 ARG 49 -13.035 -4.028 -5.700
344 HG2 ARG 49 HG2 ARG 49 -11.699 -3.383 -7.572
345 HG3 ARG 49 HG3 ARG 49 -11.423 -2.238 -6.264
346 HD2 ARG 49 HD2 ARG 49 -9.345 -2.838 -7.410
347 HD3 ARG 49 HD3 ARG 49 -9.327 -3.324 -5.719
348 HE ARG 49 HE ARG 49 -10.202 -5.533 -7.099
349 HH11 ARG 49 HH11 ARG 49 -7.373 -3.476 -7.247
350 HH12 ARG 49 HH12 ARG 49 -6.295 -4.765 -7.673
351 HH21 ARG 49 HH21 ARG 49 -8.775 -7.242 -7.670
352 HH22 ARG 49 HH22 ARG 49 -7.092 -6.903 -7.908
353 H AAR 50 HN AAR 50 -9.356 -3.596 -3.037
354 HA AAR 50 HA AAR 50 -7.446 -4.651 -2.586
355 HB2 AAR 50 HB2 AAR 50 -8.991 -6.987 -1.608
356 HB3 AAR 50 HB3 AAR 50 -7.705 -6.075 -0.849
357 HG2 AAR 50 HG2 AAR 50 -9.133 -4.311 -0.230
358 HG3 AAR 50 HG3 AAR 50 -10.432 -4.914 -1.257
359 HD2 AAR 50 HD2 AAR 50 -11.102 -5.535 0.871
360 HD3 AAR 50 HD3 AAR 50 -10.360 -7.000 0.240
361 HE AAR 50 HE AAR 50 -8.817 -5.174 1.961
362 HH11 AAR 50 HH21 AAR 50 -7.963 -6.144 3.865
363 HH12 AAR 50 HH22 AAR 50 -8.242 -7.830 4.169
364 HH21 AAR 50 HH11 AAR 50 -10.160 -8.343 1.291
365 HH22 AAR 50 HH12 AAR 50 -9.487 -9.073 2.714
366 HNT1 AAR 50 HNT1 AAR 50 -8.985 -7.799 -3.021
367 HNT2 AAR 50 HNT2 AAR 50 -7.982 -8.297 -4.355
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 11.508 -5.172 2.698
2 H2 SER 1 HT2 SER 1 10.310 -4.181 3.173
3 H3 SER 1 HT3 SER 1 11.442 -3.644 2.142
4 HA SER 1 HA SER 1 9.423 -4.081 0.963
5 HB2 SER 1 HB2 SER 1 10.449 -5.816 -0.636
6 HB3 SER 1 HB3 SER 1 11.358 -4.330 -0.363
7 HG SER 1 HG SER 1 12.652 -6.248 -0.226
8 H TYR 2 HN TYR 2 7.643 -4.902 2.003
9 HA TYR 2 HA TYR 2 7.329 -7.456 3.067
10 HB2 TYR 2 HB2 TYR 2 5.706 -5.571 3.289
11 HB3 TYR 2 HB3 TYR 2 5.224 -5.833 1.619
12 HD1 TYR 2 HD1 TYR 2 3.562 -7.421 1.088
13 HD2 TYR 2 HD2 TYR 2 5.335 -7.453 4.955
14 HE1 TYR 2 HE1 TYR 2 1.871 -9.041 1.843
15 HE2 TYR 2 HE2 TYR 2 3.653 -9.072 5.720
16 HH TYR 2 HH TYR 2 1.562 -10.721 3.573
17 H GLN 3 HN GLN 3 7.268 -6.345 -0.234
18 HA GLN 3 HA GLN 3 7.626 -9.016 -1.203
19 HB2 GLN 3 HB2 GLN 3 5.121 -8.773 -1.003
20 HB3 GLN 3 HB3 GLN 3 5.218 -7.478 -2.189
21 HG2 GLN 3 HG2 GLN 3 6.267 -9.117 -3.760
22 HG3 GLN 3 HG3 GLN 3 5.896 -10.378 -2.585
23 HE21 GLN 3 HE21 GLN 3 4.949 -10.068 -5.300
24 HE22 GLN 3 HE22 GLN 3 3.221 -9.997 -5.208
25 H ARG 4 HN ARG 4 9.578 -8.076 -1.848
26 HA ARG 4 HA ARG 4 11.044 -7.230 -3.344
27 HB2 ARG 4 HB2 ARG 4 9.544 -8.334 -5.005
28 HB3 ARG 4 HB3 ARG 4 8.666 -6.819 -5.168
29 HG2 ARG 4 HG2 ARG 4 10.923 -5.788 -5.789
30 HG3 ARG 4 HG3 ARG 4 11.481 -7.446 -5.984
31 HD2 ARG 4 HD2 ARG 4 9.637 -7.812 -7.613
32 HD3 ARG 4 HD3 ARG 4 9.233 -6.096 -7.476
33 HE ARG 4 HE ARG 4 11.719 -5.832 -8.168
34 HH11 ARG 4 HH11 ARG 4 9.487 -8.249 -9.360
35 HH12 ARG 4 HH12 ARG 4 10.268 -8.387 -10.901
36 HH21 ARG 4 HH21 ARG 4 12.754 -6.021 -10.192
37 HH22 ARG 4 HH22 ARG 4 12.135 -7.133 -11.370
38 H ILE 5 HN ILE 5 11.871 -5.282 -4.233
39 HA ILE 5 HA ILE 5 10.374 -2.840 -3.588
40 HB ILE 5 HB ILE 5 13.311 -3.273 -4.171
41 HG12 ILE 5 HG12 ILE 5 11.841 -2.365 -1.688
42 HG13 ILE 5 HG11 ILE 5 12.650 -3.909 -1.918
43 HG21 ILE 5 HG21 ILE 5 13.614 -0.873 -3.774
44 HG22 ILE 5 HG22 ILE 5 11.865 -0.676 -3.666
45 HG23 ILE 5 HG23 ILE 5 12.602 -1.184 -5.186
46 HD11 ILE 5 HD11 ILE 5 14.795 -2.767 -2.063
47 HD12 ILE 5 HD12 ILE 5 13.971 -2.408 -0.546
48 HD13 ILE 5 HD13 ILE 5 13.986 -1.217 -1.846
49 H ARG 6 HN ARG 6 9.212 -2.122 -5.293
50 HA ARG 6 HA ARG 6 9.956 -3.062 -7.934
51 HB2 ARG 6 HB2 ARG 6 7.442 -1.830 -6.827
52 HB3 ARG 6 HB3 ARG 6 7.699 -2.079 -8.535
53 HG2 ARG 6 HG2 ARG 6 6.361 -3.862 -7.659
54 HG3 ARG 6 HG3 ARG 6 7.929 -4.478 -8.163
55 HD2 ARG 6 HD2 ARG 6 8.615 -4.890 -6.018
56 HD3 ARG 6 HD3 ARG 6 7.574 -3.650 -5.331
57 HE ARG 6 HE ARG 6 6.251 -5.411 -4.798
58 HH11 ARG 6 HH11 ARG 6 7.474 -6.098 -8.042
59 HH12 ARG 6 HH12 ARG 6 6.423 -7.457 -8.256
60 HH21 ARG 6 HH21 ARG 6 4.883 -7.170 -5.144
61 HH22 ARG 6 HH22 ARG 6 4.974 -8.064 -6.631
62 H SER 7 HN SER 7 8.444 0.008 -6.934
63 HA SER 7 HA SER 7 9.905 1.315 -9.083
64 HB2 SER 7 HB2 SER 7 7.745 2.427 -7.276
65 HB3 SER 7 HB3 SER 7 8.347 3.154 -8.767
66 HG SER 7 HG SER 7 7.095 1.884 -9.871
67 H ASP 8 HN ASP 8 9.337 1.783 -5.609
68 HA ASP 8 HA ASP 8 11.929 3.130 -5.436
69 HB2 ASP 8 HB2 ASP 8 9.292 4.183 -4.456
70 HB3 ASP 8 HB3 ASP 8 10.791 4.638 -3.654
71 H HIS 9 HN HIS 9 12.419 3.457 -2.934
72 HA HIS 9 HA HIS 9 12.817 0.897 -1.940
73 HB2 HIS 9 HB2 HIS 9 12.997 3.626 -0.714
74 HB3 HIS 9 HB3 HIS 9 13.282 2.188 0.247
75 HD1 HIS 9 HD1 HIS 9 15.318 0.645 -0.564
76 HD2 HIS 9 HD2 HIS 9 15.121 4.451 -2.212
77 HE1 HIS 9 HE1 HIS 9 17.569 1.049 -1.596
78 HE2 HIS 9 HE2 HIS 9 17.357 3.273 -2.755
79 H ASP 10 HN ASP 10 10.343 3.284 -1.123
80 HA ASP 10 HA ASP 10 9.156 1.416 0.773
81 HB2 ASP 10 HB2 ASP 10 8.403 4.254 0.063
82 HB3 ASP 10 HB3 ASP 10 7.580 3.277 1.268
83 H SER 11 HN SER 11 8.762 2.406 -2.492
84 HA SER 11 HA SER 11 5.917 1.948 -2.582
85 HB2 SER 11 HB2 SER 11 7.362 3.554 -4.073
86 HB3 SER 11 HB3 SER 11 7.620 2.108 -5.039
87 HG SER 11 HG SER 11 5.169 3.390 -4.432
88 H HIS 12 HN HIS 12 5.492 -0.147 -2.061
89 HA HIS 12 HA HIS 12 6.104 -2.082 -4.137
90 HB2 HIS 12 HB2 HIS 12 6.654 -3.843 -2.480
91 HB3 HIS 12 HB3 HIS 12 7.861 -2.570 -2.552
92 HD1 HIS 12 HD1 HIS 12 5.216 -4.025 -0.301
93 HD2 HIS 12 HD2 HIS 12 8.142 -1.073 -0.179
94 HE1 HIS 12 HE1 HIS 12 5.450 -3.368 2.127
95 HE2 HIS 12 HE2 HIS 12 7.248 -1.613 2.170
96 H SER 13 HN SER 13 4.898 -4.156 -3.712
97 HA SER 13 HA SER 13 2.168 -3.598 -3.136
98 HB2 SER 13 HB2 SER 13 1.914 -6.087 -3.519
99 HB3 SER 13 HB3 SER 13 2.646 -5.204 -4.856
100 HG SER 13 HG SER 13 3.694 -7.175 -3.277
101 H CYS 14 HN CYS 14 0.989 -4.138 -1.383
102 HA CYS 14 HA CYS 14 2.278 -5.670 0.753
103 HB2 CYS 14 HB2 CYS 14 1.399 -4.126 2.439
104 HB3 CYS 14 HB3 CYS 14 2.499 -3.300 1.348
105 H ALA 15 HN ALA 15 0.358 -5.969 2.515
106 HA ALA 15 HA ALA 15 -1.393 -7.365 2.921
107 HB1 ALA 15 HB1 ALA 15 -2.553 -5.253 2.610
108 HB2 ALA 15 HB2 ALA 15 -3.537 -6.612 2.058
109 HB3 ALA 15 HB3 ALA 15 -2.711 -5.588 0.884
110 H ASN 16 HN ASN 16 0.364 -8.067 0.552
111 HA ASN 16 HA ASN 16 0.566 -9.789 -0.886
112 HB2 ASN 16 HB2 ASN 16 -1.942 -10.692 0.517
113 HB3 ASN 16 HB3 ASN 16 -1.100 -11.675 -0.672
114 HD21 ASN 16 HD21 ASN 16 0.920 -12.537 -0.151
115 HD22 ASN 16 HD22 ASN 16 1.507 -12.586 1.475
116 H ASN 17 HN ASN 17 -0.033 -7.762 -2.188
117 HA ASN 17 HA ASN 17 -0.723 -7.176 -4.305
118 HB2 ASN 17 HB2 ASN 17 -1.521 -9.000 -5.401
119 HB3 ASN 17 HB3 ASN 17 -2.350 -9.619 -3.976
120 HD21 ASN 17 HD21 ASN 17 -4.364 -8.641 -3.399
121 HD22 ASN 17 HD22 ASN 17 -5.396 -7.917 -4.595
122 H ARG 18 HN ARG 18 -2.837 -7.573 -1.586
123 HA ARG 18 HA ARG 18 -4.916 -5.918 -2.653
124 HB2 ARG 18 HB2 ARG 18 -4.505 -7.213 0.042
125 HB3 ARG 18 HB3 ARG 18 -5.922 -6.252 -0.363
126 HG2 ARG 18 HG2 ARG 18 -6.727 -8.310 -0.851
127 HG3 ARG 18 HG3 ARG 18 -6.014 -7.913 -2.409
128 HD2 ARG 18 HD2 ARG 18 -5.296 -10.079 -2.011
129 HD3 ARG 18 HD3 ARG 18 -3.923 -9.085 -1.541
130 HE ARG 18 HE ARG 18 -5.151 -9.416 0.797
131 HH11 ARG 18 HH11 ARG 18 -4.338 -11.710 -1.717
132 HH12 ARG 18 HH12 ARG 18 -4.127 -13.032 -0.613
133 HH21 ARG 18 HH21 ARG 18 -4.877 -11.157 2.247
134 HH22 ARG 18 HH22 ARG 18 -4.428 -12.717 1.634
135 H GLY 19 HN GLY 19 -2.183 -4.813 -2.142
136 HA2 GLY 19 HA2 GLY 19 -2.966 -2.307 -0.936
137 HA3 GLY 19 HA1 GLY 19 -1.857 -3.258 0.033
138 H TRP 20 HN TRP 20 -1.665 -0.657 -1.700
139 HA TRP 20 HA TRP 20 1.035 -1.430 -2.583
140 HB2 TRP 20 HB2 TRP 20 -0.482 -0.774 -4.565
141 HB3 TRP 20 HB3 TRP 20 -0.441 0.847 -3.894
142 HD1 TRP 20 HD1 TRP 20 1.683 2.273 -4.271
143 HE1 TRP 20 HE1 TRP 20 3.910 1.937 -5.460
144 HE3 TRP 20 HE3 TRP 20 1.332 -2.737 -5.204
145 HZ2 TRP 20 HZ2 TRP 20 5.348 -0.175 -6.639
146 HZ3 TRP 20 HZ3 TRP 20 3.198 -3.834 -6.372
147 HH2 TRP 20 HH2 TRP 20 5.160 -2.574 -7.075
148 H CYS 21 HN CYS 21 2.626 -0.242 -1.799
149 HA CYS 21 HA CYS 21 2.034 1.756 0.172
150 HB2 CYS 21 HB2 CYS 21 4.711 0.964 -0.964
151 HB3 CYS 21 HB3 CYS 21 4.399 1.771 0.570
152 H ARG 22 HN ARG 22 1.355 3.647 -0.521
153 HA ARG 22 HA ARG 22 2.877 4.992 -2.660
154 HB2 ARG 22 HB2 ARG 22 -0.081 5.213 -2.093
155 HB3 ARG 22 HB3 ARG 22 0.782 6.093 -3.337
156 HG2 ARG 22 HG2 ARG 22 1.236 4.003 -4.486
157 HG3 ARG 22 HG3 ARG 22 0.388 3.115 -3.212
158 HD2 ARG 22 HD2 ARG 22 -1.599 4.600 -3.747
159 HD3 ARG 22 HD3 ARG 22 -0.729 5.060 -5.203
160 HE ARG 22 HE ARG 22 -2.168 2.664 -4.718
161 HH11 ARG 22 HH11 ARG 22 0.593 3.938 -6.460
162 HH12 ARG 22 HH12 ARG 22 0.464 2.786 -7.746
163 HH21 ARG 22 HH21 ARG 22 -2.345 1.170 -6.414
164 HH22 ARG 22 HH22 ARG 22 -1.207 1.213 -7.724
165 HA PRO 23 HA PRO 23 3.124 8.311 0.337
166 HB2 PRO 23 HB2 PRO 23 3.585 10.397 -1.342
167 HB3 PRO 23 HB3 PRO 23 4.823 9.220 -0.900
168 HG2 PRO 23 HG2 PRO 23 3.264 9.477 -3.409
169 HG3 PRO 23 HG3 PRO 23 4.916 8.892 -3.157
170 HD2 PRO 23 HD2 PRO 23 2.686 7.290 -3.580
171 HD3 PRO 23 HD3 PRO 23 4.225 6.754 -2.881
172 H THR 24 HN THR 24 0.894 8.173 -2.250
173 HA THR 24 HA THR 24 -1.097 9.556 -0.704
174 HB THR 24 HB THR 24 -0.126 11.447 -1.886
175 HG1 THR 24 HG1 THR 24 -2.384 11.175 -3.450
176 HG21 THR 24 HG21 THR 24 -0.141 11.576 -4.329
177 HG22 THR 24 HG22 THR 24 -0.719 9.912 -4.413
178 HG23 THR 24 HG23 THR 24 0.881 10.257 -3.759
179 H CYS 25 HN CYS 25 -3.142 8.852 -1.186
180 HA CYS 25 HA CYS 25 -3.221 6.396 -2.732
181 HB2 CYS 25 HB2 CYS 25 -5.269 7.687 -0.915
182 HB3 CYS 25 HB3 CYS 25 -5.404 6.083 -1.627
183 H PHE 26 HN PHE 26 -4.623 5.960 -4.413
184 HA PHE 26 HA PHE 26 -5.470 8.304 -5.924
185 HB2 PHE 26 HB2 PHE 26 -5.418 5.357 -6.597
186 HB3 PHE 26 HB3 PHE 26 -5.992 6.608 -7.699
187 HD1 PHE 26 HD1 PHE 26 -4.279 8.613 -8.001
188 HD2 PHE 26 HD2 PHE 26 -3.246 4.659 -6.832
189 HE1 PHE 26 HE1 PHE 26 -1.987 8.983 -8.802
190 HE2 PHE 26 HE2 PHE 26 -0.946 5.021 -7.629
191 HZ PHE 26 HZ PHE 26 -0.315 7.186 -8.615
192 H SER 27 HN SER 27 -7.635 8.088 -7.093
193 HA SER 27 HA SER 27 -9.623 8.041 -5.033
194 HB2 SER 27 HB2 SER 27 -9.868 8.587 -7.998
195 HB3 SER 27 HB3 SER 27 -11.115 8.904 -6.791
196 HG SER 27 HG SER 27 -9.982 10.545 -6.004
197 H HIS 28 HN HIS 28 -8.616 5.467 -5.444
198 HA HIS 28 HA HIS 28 -11.121 4.075 -5.759
199 HB2 HIS 28 HB2 HIS 28 -10.368 2.454 -7.397
200 HB3 HIS 28 HB3 HIS 28 -10.215 4.063 -8.088
201 HD1 HIS 28 HD1 HIS 28 -8.359 1.000 -7.525
202 HD2 HIS 28 HD2 HIS 28 -7.418 5.015 -8.047
203 HE1 HIS 28 HE1 HIS 28 -5.924 1.048 -8.140
204 HE2 HIS 28 HE2 HIS 28 -5.445 3.462 -8.663
205 H GLU 29 HN GLU 29 -8.999 4.746 -3.782
206 HA GLU 29 HA GLU 29 -8.332 2.041 -2.893
207 HB2 GLU 29 HB2 GLU 29 -6.366 4.317 -3.075
208 HB3 GLU 29 HB3 GLU 29 -6.040 2.747 -2.363
209 HG2 GLU 29 HG2 GLU 29 -6.304 1.685 -4.518
210 HG3 GLU 29 HG3 GLU 29 -6.748 3.227 -5.249
211 H TYR 30 HN TYR 30 -7.160 2.298 -0.656
212 HA TYR 30 HA TYR 30 -8.136 4.540 0.909
213 HB2 TYR 30 HB2 TYR 30 -9.278 3.140 2.547
214 HB3 TYR 30 HB3 TYR 30 -10.001 2.915 0.960
215 HD1 TYR 30 HD1 TYR 30 -7.914 1.377 3.559
216 HD2 TYR 30 HD2 TYR 30 -9.897 0.757 -0.170
217 HE1 TYR 30 HE1 TYR 30 -7.631 -1.034 3.825
218 HE2 TYR 30 HE2 TYR 30 -9.631 -1.673 0.097
219 HH TYR 30 HH TYR 30 -8.712 -3.091 3.041
220 H THR 31 HN THR 31 -7.164 4.551 3.094
221 HA THR 31 HA THR 31 -4.439 3.569 2.940
222 HB THR 31 HB THR 31 -5.706 5.193 5.151
223 HG1 THR 31 HG1 THR 31 -4.989 5.880 2.584
224 HG21 THR 31 HG21 THR 31 -2.834 4.769 4.317
225 HG22 THR 31 HG22 THR 31 -3.604 4.181 5.793
226 HG23 THR 31 HG23 THR 31 -3.368 5.913 5.548
227 H ASP 32 HN ASP 32 -4.096 1.540 3.555
228 HA ASP 32 HA ASP 32 -5.402 0.498 5.949
229 HB2 ASP 32 HB2 ASP 32 -4.873 -0.927 3.879
230 HB3 ASP 32 HB3 ASP 32 -3.210 -0.831 4.385
231 H TRP 33 HN TRP 33 -4.436 0.488 7.898
232 HA TRP 33 HA TRP 33 -1.861 1.818 8.091
233 HB2 TRP 33 HB2 TRP 33 -4.126 1.364 10.011
234 HB3 TRP 33 HB3 TRP 33 -2.553 1.950 10.550
235 HD1 TRP 33 HD1 TRP 33 -5.721 3.146 8.894
236 HE1 TRP 33 HE1 TRP 33 -5.470 5.620 8.232
237 HE3 TRP 33 HE3 TRP 33 -0.721 3.671 9.706
238 HZ2 TRP 33 HZ2 TRP 33 -3.391 7.538 8.063
239 HZ3 TRP 33 HZ3 TRP 33 0.331 5.837 9.250
240 HH2 TRP 33 HH2 TRP 33 -0.975 7.722 8.440
241 H PHE 34 HN PHE 34 -3.144 -1.308 8.279
242 HA PHE 34 HA PHE 34 -1.188 -2.467 10.034
243 HB2 PHE 34 HB2 PHE 34 -3.452 -3.475 9.333
244 HB3 PHE 34 HB3 PHE 34 -2.672 -3.873 7.799
245 HD1 PHE 34 HD1 PHE 34 -0.804 -5.498 7.761
246 HD2 PHE 34 HD2 PHE 34 -3.062 -4.742 11.288
247 HE1 PHE 34 HE1 PHE 34 0.033 -7.593 8.744
248 HE2 PHE 34 HE2 PHE 34 -2.230 -6.835 12.274
249 HZ PHE 34 HZ PHE 34 -0.678 -8.263 11.002
250 H ASN 35 HN ASN 35 -1.730 -2.602 6.544
251 HA ASN 35 HA ASN 35 0.882 -3.566 5.985
252 HB2 ASN 35 HB2 ASN 35 -0.824 -2.239 3.917
253 HB3 ASN 35 HB3 ASN 35 0.210 -3.626 3.779
254 HD21 ASN 35 HD21 ASN 35 -0.645 -5.200 5.745
255 HD22 ASN 35 HD22 ASN 35 -2.253 -5.710 5.436
256 H ASN 36 HN ASN 36 -0.427 -0.490 6.648
257 HA ASN 36 HA ASN 36 1.367 1.182 5.268
258 HB2 ASN 36 HB2 ASN 36 -0.711 1.834 6.630
259 HB3 ASN 36 HB3 ASN 36 0.338 1.762 8.030
260 HD21 ASN 36 HD21 ASN 36 -1.140 3.898 6.602
261 HD22 ASN 36 HD22 ASN 36 0.021 5.151 6.383
262 H ASP 37 HN ASP 37 1.604 -0.617 8.264
263 HA ASP 37 HA ASP 37 4.027 0.451 9.183
264 HB2 ASP 37 HB2 ASP 37 2.619 -0.956 10.602
265 HB3 ASP 37 HB3 ASP 37 2.939 -2.338 9.560
266 H VAL 38 HN VAL 38 3.357 -2.326 7.051
267 HA VAL 38 HA VAL 38 6.116 -3.005 6.720
268 HB VAL 38 HB VAL 38 5.505 -4.509 5.023
269 HG11 VAL 38 HG11 VAL 38 4.735 -5.154 7.221
270 HG12 VAL 38 HG12 VAL 38 3.634 -5.751 5.980
271 HG13 VAL 38 HG13 VAL 38 3.196 -4.339 6.942
272 HG21 VAL 38 HG21 VAL 38 4.234 -3.024 3.573
273 HG22 VAL 38 HG22 VAL 38 2.875 -3.055 4.705
274 HG23 VAL 38 HG23 VAL 38 3.356 -4.529 3.857
275 H CYS 39 HN CYS 39 3.998 -0.780 5.171
276 HA CYS 39 HA CYS 39 5.519 -0.280 2.856
277 HB2 CYS 39 HB2 CYS 39 3.414 1.323 4.300
278 HB3 CYS 39 HB3 CYS 39 4.142 1.847 2.785
279 H GLY 40 HN GLY 40 5.991 0.677 6.113
280 HA2 GLY 40 HA2 GLY 40 7.767 1.816 7.042
281 HA3 GLY 40 HA1 GLY 40 8.465 1.913 5.437
282 H SER 41 HN SER 41 8.367 3.778 4.330
283 HA SER 41 HA SER 41 7.436 6.077 5.869
284 HB2 SER 41 HB2 SER 41 9.775 5.906 4.947
285 HB3 SER 41 HB3 SER 41 9.081 6.053 3.334
286 HG SER 41 HG SER 41 8.060 8.021 4.737
287 H TYR 42 HN TYR 42 6.167 4.082 3.646
288 HA TYR 42 HA TYR 42 4.460 6.175 2.459
289 HB2 TYR 42 HB2 TYR 42 5.332 3.482 1.479
290 HB3 TYR 42 HB3 TYR 42 3.787 4.130 0.954
291 HD1 TYR 42 HD1 TYR 42 5.684 6.976 1.331
292 HD2 TYR 42 HD2 TYR 42 5.421 3.537 -1.150
293 HE1 TYR 42 HE1 TYR 42 6.792 8.200 -0.476
294 HE2 TYR 42 HE2 TYR 42 6.525 4.743 -2.957
295 HH TYR 42 HH TYR 42 8.129 7.702 -2.490
296 H ARG 43 HN ARG 43 2.227 5.275 1.966
297 HA ARG 43 HA ARG 43 1.237 3.814 4.324
298 HB2 ARG 43 HB2 ARG 43 -0.831 5.126 4.083
299 HB3 ARG 43 HB3 ARG 43 0.561 6.172 4.318
300 HG2 ARG 43 HG2 ARG 43 0.529 6.184 1.668
301 HG3 ARG 43 HG3 ARG 43 -1.174 5.820 1.946
302 HD2 ARG 43 HD2 ARG 43 -0.921 8.193 1.766
303 HD3 ARG 43 HD3 ARG 43 -1.297 7.792 3.441
304 HE ARG 43 HE ARG 43 1.525 8.066 2.816
305 HH11 ARG 43 HH11 ARG 43 -1.386 9.674 3.913
306 HH12 ARG 43 HH12 ARG 43 -0.532 10.901 4.788
307 HH21 ARG 43 HH21 ARG 43 2.651 9.699 3.966
308 HH22 ARG 43 HH22 ARG 43 1.758 10.923 4.809
309 H CYS 44 HN CYS 44 -0.357 2.175 3.933
310 HA CYS 44 HA CYS 44 -0.048 1.077 1.282
311 HB2 CYS 44 HB2 CYS 44 0.043 -0.462 3.151
312 HB3 CYS 44 HB3 CYS 44 -1.568 -0.035 3.647
313 H CYS 45 HN CYS 45 -1.122 2.246 -0.136
314 HA CYS 45 HA CYS 45 -3.920 2.860 0.222
315 HB2 CYS 45 HB2 CYS 45 -2.126 3.124 -2.201
316 HB3 CYS 45 HB3 CYS 45 -3.741 3.814 -2.032
317 H ARG 46 HN ARG 46 -4.881 0.907 0.492
318 HA ARG 46 HA ARG 46 -4.473 -1.279 -1.326
319 HB2 ARG 46 HB2 ARG 46 -6.536 -0.848 0.841
320 HB3 ARG 46 HB3 ARG 46 -6.311 -2.351 -0.042
321 HG2 ARG 46 HG2 ARG 46 -4.013 -2.482 0.844
322 HG3 ARG 46 HG3 ARG 46 -4.323 -1.024 1.782
323 HD2 ARG 46 HD2 ARG 46 -4.690 -2.765 3.297
324 HD3 ARG 46 HD3 ARG 46 -6.309 -2.315 2.767
325 HE ARG 46 HE ARG 46 -5.605 -4.327 1.085
326 HH11 ARG 46 HH11 ARG 46 -5.665 -3.962 4.568
327 HH12 ARG 46 HH12 ARG 46 -6.022 -5.639 4.864
328 HH21 ARG 46 HH21 ARG 46 -6.074 -6.551 1.487
329 HH22 ARG 46 HH22 ARG 46 -6.219 -7.118 3.115
330 HA PRO 47 HA PRO 47 -7.481 -0.096 -4.368
331 HB2 PRO 47 HB2 PRO 47 -8.135 -2.670 -5.141
332 HB3 PRO 47 HB3 PRO 47 -6.777 -1.748 -5.786
333 HG2 PRO 47 HG2 PRO 47 -6.810 -3.889 -3.717
334 HG3 PRO 47 HG3 PRO 47 -5.584 -3.531 -4.946
335 HD2 PRO 47 HD2 PRO 47 -5.288 -2.873 -2.336
336 HD3 PRO 47 HD3 PRO 47 -4.581 -1.911 -3.644
337 H GLY 48 HN GLY 48 -9.558 0.430 -3.973
338 HA2 GLY 48 HA2 GLY 48 -10.857 -0.359 -1.624
339 HA3 GLY 48 HA1 GLY 48 -11.631 0.455 -2.973
340 H ARG 49 HN ARG 49 -10.400 -2.319 -4.198
341 HA ARG 49 HA ARG 49 -12.740 -3.926 -3.482
342 HB2 ARG 49 HB2 ARG 49 -12.549 -4.759 -5.967
343 HB3 ARG 49 HB3 ARG 49 -13.465 -3.317 -5.565
344 HG2 ARG 49 HG2 ARG 49 -12.157 -2.910 -7.534
345 HG3 ARG 49 HG3 ARG 49 -11.524 -1.939 -6.207
346 HD2 ARG 49 HD2 ARG 49 -9.731 -2.938 -7.537
347 HD3 ARG 49 HD3 ARG 49 -9.718 -3.532 -5.879
348 HE ARG 49 HE ARG 49 -11.100 -5.458 -7.016
349 HH11 ARG 49 HH11 ARG 49 -8.280 -3.809 -8.275
350 HH12 ARG 49 HH12 ARG 49 -7.706 -5.196 -9.144
351 HH21 ARG 49 HH21 ARG 49 -10.342 -7.281 -8.153
352 HH22 ARG 49 HH22 ARG 49 -8.881 -7.168 -9.081
353 H AAR 50 HN AAR 50 -9.815 -3.917 -2.747
354 HA AAR 50 HA AAR 50 -8.381 -6.035 -3.572
355 HB2 AAR 50 HB2 AAR 50 -7.924 -6.318 -0.960
356 HB3 AAR 50 HB3 AAR 50 -7.279 -4.983 -1.897
357 HG2 AAR 50 HG2 AAR 50 -8.110 -4.004 0.049
358 HG3 AAR 50 HG3 AAR 50 -9.337 -3.675 -1.169
359 HD2 AAR 50 HD2 AAR 50 -10.671 -4.364 0.538
360 HD3 AAR 50 HD3 AAR 50 -10.358 -5.919 -0.228
361 HE AAR 50 HE AAR 50 -8.740 -4.980 2.047
362 HH11 AAR 50 HH21 AAR 50 -8.514 -6.491 3.756
363 HH12 AAR 50 HH22 AAR 50 -9.287 -8.039 3.637
364 HH21 AAR 50 HH11 AAR 50 -10.770 -7.402 0.527
365 HH22 AAR 50 HH12 AAR 50 -10.592 -8.545 1.821
366 HNT1 AAR 50 HNT1 AAR 50 -9.010 -8.011 -4.118
367 HNT2 AAR 50 HNT2 AAR 50 -10.048 -9.045 -3.174
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 9.948 -3.625 2.973
2 H2 SER 1 HT2 SER 1 11.306 -3.018 2.323
3 H3 SER 1 HT3 SER 1 11.341 -4.458 3.070
4 HA SER 1 HA SER 1 9.899 -3.858 0.592
5 HB2 SER 1 HB2 SER 1 12.278 -5.685 0.996
6 HB3 SER 1 HB3 SER 1 11.566 -5.157 -0.529
7 HG SER 1 HG SER 1 13.553 -4.048 0.256
8 H TYR 2 HN TYR 2 8.045 -4.742 1.959
9 HA TYR 2 HA TYR 2 7.901 -7.444 2.654
10 HB2 TYR 2 HB2 TYR 2 6.199 -5.768 3.257
11 HB3 TYR 2 HB3 TYR 2 5.712 -5.655 1.573
12 HD1 TYR 2 HD1 TYR 2 3.945 -6.953 0.819
13 HD2 TYR 2 HD2 TYR 2 6.019 -8.140 4.337
14 HE1 TYR 2 HE1 TYR 2 2.285 -8.731 1.188
15 HE2 TYR 2 HE2 TYR 2 4.373 -9.927 4.712
16 HH TYR 2 HH TYR 2 2.091 -10.465 4.127
17 H GLN 3 HN GLN 3 7.718 -5.876 -0.457
18 HA GLN 3 HA GLN 3 7.976 -8.423 -1.778
19 HB2 GLN 3 HB2 GLN 3 5.476 -7.964 -1.490
20 HB3 GLN 3 HB3 GLN 3 5.696 -6.636 -2.620
21 HG2 GLN 3 HG2 GLN 3 4.880 -8.491 -3.848
22 HG3 GLN 3 HG3 GLN 3 6.581 -8.289 -4.269
23 HE21 GLN 3 HE21 GLN 3 8.065 -9.827 -3.608
24 HE22 GLN 3 HE22 GLN 3 7.591 -11.376 -3.013
25 H ARG 4 HN ARG 4 9.995 -7.074 -1.878
26 HA ARG 4 HA ARG 4 11.582 -6.154 -3.195
27 HB2 ARG 4 HB2 ARG 4 10.415 -7.449 -4.999
28 HB3 ARG 4 HB3 ARG 4 9.504 -5.994 -5.371
29 HG2 ARG 4 HG2 ARG 4 11.820 -4.885 -5.634
30 HG3 ARG 4 HG3 ARG 4 12.420 -6.539 -5.748
31 HD2 ARG 4 HD2 ARG 4 10.401 -5.187 -7.527
32 HD3 ARG 4 HD3 ARG 4 12.026 -5.714 -7.959
33 HE ARG 4 HE ARG 4 9.849 -7.580 -7.260
34 HH11 ARG 4 HH11 ARG 4 12.636 -6.708 -9.195
35 HH12 ARG 4 HH12 ARG 4 12.584 -8.157 -10.145
36 HH21 ARG 4 HH21 ARG 4 9.776 -9.482 -8.524
37 HH22 ARG 4 HH22 ARG 4 10.967 -9.734 -9.759
38 H ILE 5 HN ILE 5 12.408 -4.155 -3.816
39 HA ILE 5 HA ILE 5 10.721 -1.831 -3.348
40 HB ILE 5 HB ILE 5 13.641 -1.988 -4.141
41 HG12 ILE 5 HG12 ILE 5 12.362 -1.477 -1.445
42 HG13 ILE 5 HG11 ILE 5 13.209 -2.946 -1.917
43 HG21 ILE 5 HG21 ILE 5 12.005 0.354 -3.175
44 HG22 ILE 5 HG22 ILE 5 12.612 0.117 -4.812
45 HG23 ILE 5 HG23 ILE 5 13.741 0.369 -3.481
46 HD11 ILE 5 HD11 ILE 5 14.602 -1.523 -0.530
47 HD12 ILE 5 HD12 ILE 5 14.431 -0.206 -1.687
48 HD13 ILE 5 HD13 ILE 5 15.280 -1.681 -2.151
49 H ARG 6 HN ARG 6 9.313 -1.672 -5.035
50 HA ARG 6 HA ARG 6 10.146 -2.322 -7.712
51 HB2 ARG 6 HB2 ARG 6 7.636 -1.966 -6.311
52 HB3 ARG 6 HB3 ARG 6 7.609 -1.207 -7.898
53 HG2 ARG 6 HG2 ARG 6 6.814 -3.370 -8.247
54 HG3 ARG 6 HG3 ARG 6 8.496 -3.430 -8.768
55 HD2 ARG 6 HD2 ARG 6 8.559 -5.271 -7.470
56 HD3 ARG 6 HD3 ARG 6 8.778 -4.095 -6.175
57 HE ARG 6 HE ARG 6 6.805 -4.792 -5.318
58 HH11 ARG 6 HH11 ARG 6 6.802 -5.499 -8.760
59 HH12 ARG 6 HH12 ARG 6 5.278 -6.324 -8.723
60 HH21 ARG 6 HH21 ARG 6 4.778 -5.916 -5.282
61 HH22 ARG 6 HH22 ARG 6 4.127 -6.537 -6.765
62 H SER 7 HN SER 7 8.246 0.528 -6.745
63 HA SER 7 HA SER 7 9.580 2.002 -8.860
64 HB2 SER 7 HB2 SER 7 7.105 2.078 -8.646
65 HB3 SER 7 HB3 SER 7 7.282 2.869 -7.083
66 HG SER 7 HG SER 7 8.209 3.863 -9.580
67 H ASP 8 HN ASP 8 8.517 3.251 -5.712
68 HA ASP 8 HA ASP 8 11.063 4.633 -5.450
69 HB2 ASP 8 HB2 ASP 8 8.593 4.815 -3.718
70 HB3 ASP 8 HB3 ASP 8 10.022 5.830 -3.591
71 H HIS 9 HN HIS 9 11.678 4.791 -2.917
72 HA HIS 9 HA HIS 9 12.846 2.306 -2.392
73 HB2 HIS 9 HB2 HIS 9 13.814 4.412 -1.601
74 HB3 HIS 9 HB3 HIS 9 12.452 4.644 -0.514
75 HD1 HIS 9 HD1 HIS 9 15.596 2.649 -0.923
76 HD2 HIS 9 HD2 HIS 9 12.531 3.138 1.841
77 HE1 HIS 9 HE1 HIS 9 16.396 1.529 1.179
78 HE2 HIS 9 HE2 HIS 9 14.472 1.713 2.791
79 H ASP 10 HN ASP 10 9.972 3.832 -1.062
80 HA ASP 10 HA ASP 10 9.522 1.531 0.691
81 HB2 ASP 10 HB2 ASP 10 8.108 4.198 0.508
82 HB3 ASP 10 HB3 ASP 10 7.664 2.916 1.621
83 H SER 11 HN SER 11 8.848 2.289 -2.421
84 HA SER 11 HA SER 11 6.002 1.771 -2.380
85 HB2 SER 11 HB2 SER 11 7.275 3.396 -3.962
86 HB3 SER 11 HB3 SER 11 7.626 1.943 -4.891
87 HG SER 11 HG SER 11 5.023 2.785 -4.128
88 H HIS 12 HN HIS 12 5.511 -0.258 -1.932
89 HA HIS 12 HA HIS 12 6.194 -2.261 -3.915
90 HB2 HIS 12 HB2 HIS 12 6.746 -3.960 -2.206
91 HB3 HIS 12 HB3 HIS 12 7.914 -2.648 -2.222
92 HD1 HIS 12 HD1 HIS 12 5.209 -4.185 -0.114
93 HD2 HIS 12 HD2 HIS 12 8.016 -1.124 0.141
94 HE1 HIS 12 HE1 HIS 12 5.304 -3.535 2.316
95 HE2 HIS 12 HE2 HIS 12 7.116 -1.800 2.462
96 H SER 13 HN SER 13 4.878 -4.310 -3.391
97 HA SER 13 HA SER 13 2.184 -3.508 -2.783
98 HB2 SER 13 HB2 SER 13 1.776 -6.020 -3.259
99 HB3 SER 13 HB3 SER 13 2.303 -4.993 -4.592
100 HG SER 13 HG SER 13 3.445 -7.177 -3.763
101 H CYS 14 HN CYS 14 0.868 -4.492 -1.225
102 HA CYS 14 HA CYS 14 2.144 -6.024 0.905
103 HB2 CYS 14 HB2 CYS 14 1.145 -4.548 2.624
104 HB3 CYS 14 HB3 CYS 14 2.375 -3.737 1.665
105 H ALA 15 HN ALA 15 0.334 -6.638 2.533
106 HA ALA 15 HA ALA 15 -1.567 -7.816 2.920
107 HB1 ALA 15 HB1 ALA 15 -2.753 -5.770 1.055
108 HB2 ALA 15 HB2 ALA 15 -2.559 -5.604 2.802
109 HB3 ALA 15 HB3 ALA 15 -3.661 -6.817 2.145
110 H ASN 16 HN ASN 16 0.097 -8.539 0.497
111 HA ASN 16 HA ASN 16 0.108 -10.158 -1.086
112 HB2 ASN 16 HB2 ASN 16 -2.513 -10.855 0.224
113 HB3 ASN 16 HB3 ASN 16 -1.892 -11.752 -1.153
114 HD21 ASN 16 HD21 ASN 16 0.148 -10.405 1.352
115 HD22 ASN 16 HD22 ASN 16 0.636 -11.912 2.036
116 H ASN 17 HN ASN 17 -0.038 -8.111 -2.335
117 HA ASN 17 HA ASN 17 -0.655 -7.127 -4.298
118 HB2 ASN 17 HB2 ASN 17 -1.488 -8.693 -5.685
119 HB3 ASN 17 HB3 ASN 17 -2.297 -9.546 -4.371
120 HD21 ASN 17 HD21 ASN 17 -4.361 -8.824 -3.717
121 HD22 ASN 17 HD22 ASN 17 -5.388 -7.885 -4.761
122 H ARG 18 HN ARG 18 -3.046 -7.677 -1.811
123 HA ARG 18 HA ARG 18 -4.968 -5.840 -2.831
124 HB2 ARG 18 HB2 ARG 18 -4.707 -7.178 -0.138
125 HB3 ARG 18 HB3 ARG 18 -6.088 -6.209 -0.632
126 HG2 ARG 18 HG2 ARG 18 -6.999 -8.036 -1.484
127 HG3 ARG 18 HG3 ARG 18 -5.698 -8.099 -2.657
128 HD2 ARG 18 HD2 ARG 18 -5.891 -10.209 -1.494
129 HD3 ARG 18 HD3 ARG 18 -4.360 -9.415 -1.107
130 HE ARG 18 HE ARG 18 -5.125 -9.002 1.045
131 HH11 ARG 18 HH11 ARG 18 -7.546 -10.675 -0.852
132 HH12 ARG 18 HH12 ARG 18 -8.468 -11.173 0.528
133 HH21 ARG 18 HH21 ARG 18 -6.329 -9.671 2.867
134 HH22 ARG 18 HH22 ARG 18 -7.771 -10.611 2.647
135 H GLY 19 HN GLY 19 -2.166 -4.937 -2.113
136 HA2 GLY 19 HA2 GLY 19 -2.907 -2.401 -0.918
137 HA3 GLY 19 HA1 GLY 19 -1.852 -3.409 0.056
138 H TRP 20 HN TRP 20 -1.523 -0.792 -1.607
139 HA TRP 20 HA TRP 20 1.161 -1.606 -2.444
140 HB2 TRP 20 HB2 TRP 20 -0.247 -1.321 -4.519
141 HB3 TRP 20 HB3 TRP 20 -0.434 0.377 -4.077
142 HD1 TRP 20 HD1 TRP 20 1.681 1.961 -4.374
143 HE1 TRP 20 HE1 TRP 20 3.969 1.665 -5.483
144 HE3 TRP 20 HE3 TRP 20 1.538 -3.081 -5.121
145 HZ2 TRP 20 HZ2 TRP 20 5.514 -0.458 -6.534
146 HZ3 TRP 20 HZ3 TRP 20 3.467 -4.164 -6.192
147 HH2 TRP 20 HH2 TRP 20 5.408 -2.876 -6.890
148 H CYS 21 HN CYS 21 2.715 -0.309 -1.783
149 HA CYS 21 HA CYS 21 2.077 1.774 0.070
150 HB2 CYS 21 HB2 CYS 21 4.782 1.061 -1.041
151 HB3 CYS 21 HB3 CYS 21 4.421 1.864 0.484
152 H ARG 22 HN ARG 22 1.394 3.645 -0.629
153 HA ARG 22 HA ARG 22 2.923 4.991 -2.754
154 HB2 ARG 22 HB2 ARG 22 -0.064 5.068 -2.324
155 HB3 ARG 22 HB3 ARG 22 0.803 6.076 -3.460
156 HG2 ARG 22 HG2 ARG 22 1.502 4.028 -4.656
157 HG3 ARG 22 HG3 ARG 22 0.499 3.090 -3.541
158 HD2 ARG 22 HD2 ARG 22 -0.515 3.791 -5.812
159 HD3 ARG 22 HD3 ARG 22 -1.482 3.999 -4.349
160 HE ARG 22 HE ARG 22 -1.435 6.251 -4.675
161 HH11 ARG 22 HH11 ARG 22 1.065 4.806 -6.655
162 HH12 ARG 22 HH12 ARG 22 1.608 6.319 -7.301
163 HH21 ARG 22 HH21 ARG 22 -0.713 8.247 -5.507
164 HH22 ARG 22 HH22 ARG 22 0.588 8.280 -6.657
165 HA PRO 23 HA PRO 23 2.894 8.357 0.194
166 HB2 PRO 23 HB2 PRO 23 3.396 10.436 -1.475
167 HB3 PRO 23 HB3 PRO 23 4.636 9.286 -0.969
168 HG2 PRO 23 HG2 PRO 23 3.209 9.518 -3.552
169 HG3 PRO 23 HG3 PRO 23 4.843 8.931 -3.215
170 HD2 PRO 23 HD2 PRO 23 2.599 7.345 -3.727
171 HD3 PRO 23 HD3 PRO 23 4.129 6.794 -3.026
172 H THR 24 HN THR 24 0.785 8.152 -2.508
173 HA THR 24 HA THR 24 -1.182 9.838 -1.154
174 HB THR 24 HB THR 24 -1.818 10.658 -3.543
175 HG1 THR 24 HG1 THR 24 0.849 10.694 -4.201
176 HG21 THR 24 HG21 THR 24 0.633 11.730 -2.150
177 HG22 THR 24 HG22 THR 24 -1.040 12.130 -1.762
178 HG23 THR 24 HG23 THR 24 -0.358 12.606 -3.317
179 H CYS 25 HN CYS 25 -2.958 8.620 -0.903
180 HA CYS 25 HA CYS 25 -3.407 6.309 -2.567
181 HB2 CYS 25 HB2 CYS 25 -5.082 7.483 -0.338
182 HB3 CYS 25 HB3 CYS 25 -5.329 5.914 -1.087
183 H PHE 26 HN PHE 26 -4.675 6.184 -4.282
184 HA PHE 26 HA PHE 26 -6.004 8.496 -5.322
185 HB2 PHE 26 HB2 PHE 26 -6.131 5.612 -6.209
186 HB3 PHE 26 HB3 PHE 26 -6.773 6.982 -7.113
187 HD1 PHE 26 HD1 PHE 26 -4.115 4.804 -6.881
188 HD2 PHE 26 HD2 PHE 26 -4.953 8.938 -7.413
189 HE1 PHE 26 HE1 PHE 26 -1.925 5.105 -7.952
190 HE2 PHE 26 HE2 PHE 26 -2.765 9.247 -8.481
191 HZ PHE 26 HZ PHE 26 -1.242 7.326 -8.746
192 H SER 27 HN SER 27 -8.360 8.184 -6.166
193 HA SER 27 HA SER 27 -10.018 7.974 -3.884
194 HB2 SER 27 HB2 SER 27 -10.877 8.029 -6.779
195 HB3 SER 27 HB3 SER 27 -11.850 8.477 -5.379
196 HG SER 27 HG SER 27 -10.847 10.257 -6.582
197 H HIS 28 HN HIS 28 -9.070 5.735 -6.354
198 HA HIS 28 HA HIS 28 -11.100 3.846 -5.535
199 HB2 HIS 28 HB2 HIS 28 -10.335 2.392 -7.270
200 HB3 HIS 28 HB3 HIS 28 -10.369 4.019 -7.941
201 HD1 HIS 28 HD1 HIS 28 -8.295 1.110 -7.772
202 HD2 HIS 28 HD2 HIS 28 -7.579 5.204 -7.857
203 HE1 HIS 28 HE1 HIS 28 -5.907 1.364 -8.505
204 HE2 HIS 28 HE2 HIS 28 -5.563 3.844 -8.738
205 H GLU 29 HN GLU 29 -8.673 4.820 -3.867
206 HA GLU 29 HA GLU 29 -8.038 2.129 -2.876
207 HB2 GLU 29 HB2 GLU 29 -6.070 4.405 -3.065
208 HB3 GLU 29 HB3 GLU 29 -5.749 2.794 -2.443
209 HG2 GLU 29 HG2 GLU 29 -5.964 1.836 -4.608
210 HG3 GLU 29 HG3 GLU 29 -6.578 3.346 -5.279
211 H TYR 30 HN TYR 30 -7.049 2.297 -0.642
212 HA TYR 30 HA TYR 30 -7.852 4.666 0.857
213 HB2 TYR 30 HB2 TYR 30 -9.024 3.367 2.553
214 HB3 TYR 30 HB3 TYR 30 -9.783 3.134 0.984
215 HD1 TYR 30 HD1 TYR 30 -7.891 1.565 3.675
216 HD2 TYR 30 HD2 TYR 30 -9.619 0.971 -0.165
217 HE1 TYR 30 HE1 TYR 30 -7.705 -0.858 3.983
218 HE2 TYR 30 HE2 TYR 30 -9.451 -1.473 0.126
219 HH TYR 30 HH TYR 30 -8.718 -2.879 3.176
220 H THR 31 HN THR 31 -6.925 4.649 3.060
221 HA THR 31 HA THR 31 -4.196 3.691 2.879
222 HB THR 31 HB THR 31 -5.479 5.424 5.000
223 HG1 THR 31 HG1 THR 31 -4.564 5.943 2.438
224 HG21 THR 31 HG21 THR 31 -3.110 6.112 5.403
225 HG22 THR 31 HG22 THR 31 -2.607 4.812 4.324
226 HG23 THR 31 HG23 THR 31 -3.455 4.435 5.822
227 H ASP 32 HN ASP 32 -4.166 1.536 3.356
228 HA ASP 32 HA ASP 32 -5.326 0.500 5.789
229 HB2 ASP 32 HB2 ASP 32 -4.915 -0.888 3.729
230 HB3 ASP 32 HB3 ASP 32 -3.210 -0.737 4.027
231 H TRP 33 HN TRP 33 -4.451 0.735 7.738
232 HA TRP 33 HA TRP 33 -1.859 2.002 7.938
233 HB2 TRP 33 HB2 TRP 33 -4.132 1.546 9.851
234 HB3 TRP 33 HB3 TRP 33 -2.564 2.141 10.398
235 HD1 TRP 33 HD1 TRP 33 -5.721 3.311 8.710
236 HE1 TRP 33 HE1 TRP 33 -5.489 5.783 8.055
237 HE3 TRP 33 HE3 TRP 33 -0.741 3.880 9.601
238 HZ2 TRP 33 HZ2 TRP 33 -3.427 7.721 7.912
239 HZ3 TRP 33 HZ3 TRP 33 0.296 6.059 9.164
240 HH2 TRP 33 HH2 TRP 33 -1.015 7.929 8.327
241 H PHE 34 HN PHE 34 -3.212 -1.118 8.338
242 HA PHE 34 HA PHE 34 -1.283 -2.243 10.084
243 HB2 PHE 34 HB2 PHE 34 -3.450 -3.325 9.413
244 HB3 PHE 34 HB3 PHE 34 -2.763 -3.598 7.808
245 HD1 PHE 34 HD1 PHE 34 -1.822 -4.177 11.377
246 HD2 PHE 34 HD2 PHE 34 -1.948 -5.695 7.404
247 HE1 PHE 34 HE1 PHE 34 -0.862 -6.303 12.162
248 HE2 PHE 34 HE2 PHE 34 -0.990 -7.823 8.182
249 HZ PHE 34 HZ PHE 34 -0.444 -8.129 10.564
250 H ASN 35 HN ASN 35 -1.619 -2.424 6.568
251 HA ASN 35 HA ASN 35 1.083 -3.335 6.253
252 HB2 ASN 35 HB2 ASN 35 -1.064 -2.565 4.286
253 HB3 ASN 35 HB3 ASN 35 0.537 -3.095 3.796
254 HD21 ASN 35 HD21 ASN 35 -2.489 -4.009 5.119
255 HD22 ASN 35 HD22 ASN 35 -2.243 -5.721 5.076
256 H ASN 36 HN ASN 36 -0.338 -0.309 6.665
257 HA ASN 36 HA ASN 36 1.438 1.335 5.233
258 HB2 ASN 36 HB2 ASN 36 -0.626 2.054 6.539
259 HB3 ASN 36 HB3 ASN 36 0.363 1.948 7.982
260 HD21 ASN 36 HD21 ASN 36 -1.012 4.125 6.531
261 HD22 ASN 36 HD22 ASN 36 0.179 5.358 6.365
262 H ASP 37 HN ASP 37 1.680 -0.412 8.242
263 HA ASP 37 HA ASP 37 4.159 0.655 9.070
264 HB2 ASP 37 HB2 ASP 37 2.645 -0.529 10.607
265 HB3 ASP 37 HB3 ASP 37 2.942 -2.025 9.729
266 H VAL 38 HN VAL 38 3.293 -2.231 7.153
267 HA VAL 38 HA VAL 38 5.984 -3.133 6.880
268 HB VAL 38 HB VAL 38 5.282 -4.661 5.222
269 HG11 VAL 38 HG11 VAL 38 3.266 -5.698 6.178
270 HG12 VAL 38 HG12 VAL 38 3.001 -4.240 7.136
271 HG13 VAL 38 HG13 VAL 38 4.444 -5.218 7.400
272 HG21 VAL 38 HG21 VAL 38 4.116 -3.066 3.748
273 HG22 VAL 38 HG22 VAL 38 2.726 -3.104 4.834
274 HG23 VAL 38 HG23 VAL 38 3.217 -4.569 3.974
275 H CYS 39 HN CYS 39 4.033 -0.876 5.135
276 HA CYS 39 HA CYS 39 5.656 -0.497 2.890
277 HB2 CYS 39 HB2 CYS 39 3.667 1.289 4.280
278 HB3 CYS 39 HB3 CYS 39 4.472 1.741 2.781
279 H GLY 40 HN GLY 40 5.773 0.927 6.113
280 HA2 GLY 40 HA2 GLY 40 7.728 1.838 7.073
281 HA3 GLY 40 HA1 GLY 40 8.425 1.970 5.469
282 H SER 41 HN SER 41 8.341 3.867 4.434
283 HA SER 41 HA SER 41 7.262 6.099 5.957
284 HB2 SER 41 HB2 SER 41 9.582 6.167 5.130
285 HB3 SER 41 HB3 SER 41 8.988 6.069 3.474
286 HG SER 41 HG SER 41 7.695 8.047 4.231
287 H TYR 42 HN TYR 42 6.252 4.112 3.480
288 HA TYR 42 HA TYR 42 4.416 6.141 2.402
289 HB2 TYR 42 HB2 TYR 42 5.402 3.506 1.384
290 HB3 TYR 42 HB3 TYR 42 3.828 4.088 0.864
291 HD1 TYR 42 HD1 TYR 42 5.552 3.596 -1.221
292 HD2 TYR 42 HD2 TYR 42 5.526 7.035 1.274
293 HE1 TYR 42 HE1 TYR 42 6.600 4.891 -3.003
294 HE2 TYR 42 HE2 TYR 42 6.580 8.340 -0.502
295 HH TYR 42 HH TYR 42 6.989 7.076 -3.726
296 H ARG 43 HN ARG 43 2.229 5.186 1.863
297 HA ARG 43 HA ARG 43 1.274 3.695 4.212
298 HB2 ARG 43 HB2 ARG 43 -0.798 4.974 4.029
299 HB3 ARG 43 HB3 ARG 43 0.574 6.054 4.203
300 HG2 ARG 43 HG2 ARG 43 0.442 6.031 1.554
301 HG3 ARG 43 HG3 ARG 43 -1.241 5.641 1.911
302 HD2 ARG 43 HD2 ARG 43 -0.992 8.025 1.673
303 HD3 ARG 43 HD3 ARG 43 -1.378 7.628 3.347
304 HE ARG 43 HE ARG 43 1.437 7.840 2.887
305 HH11 ARG 43 HH11 ARG 43 -1.467 9.718 3.413
306 HH12 ARG 43 HH12 ARG 43 -0.632 11.036 4.166
307 HH21 ARG 43 HH21 ARG 43 2.537 9.565 3.894
308 HH22 ARG 43 HH22 ARG 43 1.648 10.954 4.431
309 H CYS 44 HN CYS 44 -0.287 2.054 3.834
310 HA CYS 44 HA CYS 44 0.017 0.880 1.227
311 HB2 CYS 44 HB2 CYS 44 0.060 -0.569 3.165
312 HB3 CYS 44 HB3 CYS 44 -1.540 -0.076 3.631
313 H CYS 45 HN CYS 45 -1.026 2.097 -0.226
314 HA CYS 45 HA CYS 45 -3.795 2.809 0.112
315 HB2 CYS 45 HB2 CYS 45 -1.984 2.994 -2.307
316 HB3 CYS 45 HB3 CYS 45 -3.569 3.750 -2.143
317 H ARG 46 HN ARG 46 -4.663 0.766 0.474
318 HA ARG 46 HA ARG 46 -4.462 -1.366 -1.408
319 HB2 ARG 46 HB2 ARG 46 -6.533 -0.859 0.736
320 HB3 ARG 46 HB3 ARG 46 -6.309 -2.373 -0.126
321 HG2 ARG 46 HG2 ARG 46 -4.027 -2.513 0.837
322 HG3 ARG 46 HG3 ARG 46 -4.394 -1.077 1.794
323 HD2 ARG 46 HD2 ARG 46 -4.814 -2.913 3.212
324 HD3 ARG 46 HD3 ARG 46 -6.400 -2.348 2.681
325 HE ARG 46 HE ARG 46 -5.684 -4.331 0.918
326 HH11 ARG 46 HH11 ARG 46 -6.078 -4.049 4.380
327 HH12 ARG 46 HH12 ARG 46 -6.675 -5.668 4.581
328 HH21 ARG 46 HH21 ARG 46 -6.486 -6.484 1.182
329 HH22 ARG 46 HH22 ARG 46 -6.909 -7.049 2.763
330 HA PRO 47 HA PRO 47 -7.487 -0.038 -4.450
331 HB2 PRO 47 HB2 PRO 47 -8.039 -2.967 -4.462
332 HB3 PRO 47 HB3 PRO 47 -7.710 -1.885 -5.817
333 HG2 PRO 47 HG2 PRO 47 -5.866 -3.624 -4.895
334 HG3 PRO 47 HG3 PRO 47 -5.427 -2.038 -5.562
335 HD2 PRO 47 HD2 PRO 47 -5.443 -2.972 -2.752
336 HD3 PRO 47 HD3 PRO 47 -4.453 -1.719 -3.525
337 H GLY 48 HN GLY 48 -9.468 0.694 -3.897
338 HA2 GLY 48 HA2 GLY 48 -10.720 -0.067 -1.471
339 HA3 GLY 48 HA1 GLY 48 -11.389 1.018 -2.674
340 H ARG 49 HN ARG 49 -10.486 -2.299 -3.185
341 HA ARG 49 HA ARG 49 -13.110 -3.348 -2.747
342 HB2 ARG 49 HB2 ARG 49 -13.398 -4.291 -5.015
343 HB3 ARG 49 HB3 ARG 49 -13.465 -2.541 -5.013
344 HG2 ARG 49 HG2 ARG 49 -10.967 -4.036 -5.707
345 HG3 ARG 49 HG3 ARG 49 -12.209 -3.660 -6.897
346 HD2 ARG 49 HD2 ARG 49 -10.695 -1.662 -5.220
347 HD3 ARG 49 HD3 ARG 49 -10.410 -2.007 -6.923
348 HE ARG 49 HE ARG 49 -12.987 -0.935 -5.971
349 HH11 ARG 49 HH11 ARG 49 -10.221 -0.804 -8.127
350 HH12 ARG 49 HH12 ARG 49 -10.860 0.506 -9.065
351 HH21 ARG 49 HH21 ARG 49 -13.816 0.794 -7.200
352 HH22 ARG 49 HH22 ARG 49 -12.902 1.422 -8.533
353 H AAR 50 HN AAR 50 -9.835 -3.729 -3.898
354 HA AAR 50 HA AAR 50 -8.479 -5.513 -4.131
355 HB2 AAR 50 HB2 AAR 50 -7.703 -6.365 -1.966
356 HB3 AAR 50 HB3 AAR 50 -7.803 -4.624 -2.042
357 HG2 AAR 50 HG2 AAR 50 -9.968 -6.281 -0.785
358 HG3 AAR 50 HG3 AAR 50 -8.529 -5.788 0.107
359 HD2 AAR 50 HD2 AAR 50 -9.087 -3.418 -0.575
360 HD3 AAR 50 HD3 AAR 50 -10.640 -4.040 -1.124
361 HE AAR 50 HE AAR 50 -9.751 -3.671 1.606
362 HH11 AAR 50 HH21 AAR 50 -11.379 -3.870 3.219
363 HH12 AAR 50 HH22 AAR 50 -12.894 -4.618 2.827
364 HH21 AAR 50 HH11 AAR 50 -12.059 -5.267 -0.517
365 HH22 AAR 50 HH12 AAR 50 -13.280 -5.415 0.704
366 HNT1 AAR 50 HNT1 AAR 50 -9.738 -6.849 -5.494
367 HNT2 AAR 50 HNT2 AAR 50 -10.372 -8.357 -4.895
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 10.327 -3.941 3.255
2 H2 SER 1 HT2 SER 1 11.646 -3.537 2.399
3 H3 SER 1 HT3 SER 1 11.517 -5.026 3.033
4 HA SER 1 HA SER 1 9.777 -3.937 0.955
5 HB2 SER 1 HB2 SER 1 10.924 -5.588 -0.523
6 HB3 SER 1 HB3 SER 1 12.009 -4.333 0.071
7 HG SER 1 HG SER 1 11.821 -7.040 0.851
8 H TYR 2 HN TYR 2 7.860 -4.660 1.913
9 HA TYR 2 HA TYR 2 7.356 -7.232 2.864
10 HB2 TYR 2 HB2 TYR 2 5.786 -5.341 3.079
11 HB3 TYR 2 HB3 TYR 2 5.490 -5.390 1.347
12 HD1 TYR 2 HD1 TYR 2 4.105 -7.132 0.369
13 HD2 TYR 2 HD2 TYR 2 4.839 -7.026 4.558
14 HE1 TYR 2 HE1 TYR 2 2.258 -8.711 0.727
15 HE2 TYR 2 HE2 TYR 2 2.990 -8.604 4.926
16 HH TYR 2 HH TYR 2 0.993 -9.392 3.847
17 H GLN 3 HN GLN 3 7.356 -5.956 -0.420
18 HA GLN 3 HA GLN 3 7.643 -8.605 -1.519
19 HB2 GLN 3 HB2 GLN 3 5.170 -8.289 -1.239
20 HB3 GLN 3 HB3 GLN 3 5.270 -6.911 -2.324
21 HG2 GLN 3 HG2 GLN 3 4.504 -8.722 -3.610
22 HG3 GLN 3 HG3 GLN 3 6.189 -8.476 -4.057
23 HE21 GLN 3 HE21 GLN 3 6.337 -10.579 -4.826
24 HE22 GLN 3 HE22 GLN 3 6.441 -11.940 -3.766
25 H ARG 4 HN ARG 4 9.654 -7.608 -2.088
26 HA ARG 4 HA ARG 4 11.089 -6.908 -3.695
27 HB2 ARG 4 HB2 ARG 4 9.510 -7.877 -5.302
28 HB3 ARG 4 HB3 ARG 4 8.600 -6.375 -5.320
29 HG2 ARG 4 HG2 ARG 4 10.680 -5.252 -6.174
30 HG3 ARG 4 HG3 ARG 4 11.374 -6.862 -6.371
31 HD2 ARG 4 HD2 ARG 4 9.554 -7.475 -7.872
32 HD3 ARG 4 HD3 ARG 4 8.815 -5.889 -7.640
33 HE ARG 4 HE ARG 4 11.478 -5.648 -8.600
34 HH11 ARG 4 HH11 ARG 4 8.238 -6.492 -9.620
35 HH12 ARG 4 HH12 ARG 4 8.458 -5.918 -11.240
36 HH21 ARG 4 HH21 ARG 4 11.784 -4.911 -10.751
37 HH22 ARG 4 HH22 ARG 4 10.478 -5.033 -11.889
38 H ILE 5 HN ILE 5 12.122 -5.033 -4.326
39 HA ILE 5 HA ILE 5 10.960 -2.511 -3.394
40 HB ILE 5 HB ILE 5 13.772 -3.019 -4.397
41 HG12 ILE 5 HG12 ILE 5 12.779 -2.894 -1.539
42 HG13 ILE 5 HG11 ILE 5 13.282 -4.360 -2.372
43 HG21 ILE 5 HG21 ILE 5 14.287 -0.899 -3.282
44 HG22 ILE 5 HG22 ILE 5 12.593 -0.730 -2.825
45 HG23 ILE 5 HG23 ILE 5 13.053 -0.693 -4.526
46 HD11 ILE 5 HD11 ILE 5 15.035 -1.997 -1.742
47 HD12 ILE 5 HD12 ILE 5 15.542 -3.466 -2.574
48 HD13 ILE 5 HD13 ILE 5 15.020 -3.541 -0.891
49 H ARG 6 HN ARG 6 9.705 -1.636 -4.940
50 HA ARG 6 HA ARG 6 10.046 -2.458 -7.668
51 HB2 ARG 6 HB2 ARG 6 7.997 -0.509 -6.651
52 HB3 ARG 6 HB3 ARG 6 7.899 -1.619 -8.004
53 HG2 ARG 6 HG2 ARG 6 8.050 -2.520 -5.154
54 HG3 ARG 6 HG3 ARG 6 6.542 -2.272 -6.030
55 HD2 ARG 6 HD2 ARG 6 7.373 -3.864 -7.747
56 HD3 ARG 6 HD3 ARG 6 8.748 -4.187 -6.702
57 HE ARG 6 HE ARG 6 7.136 -5.037 -5.047
58 HH11 ARG 6 HH11 ARG 6 6.109 -4.766 -8.395
59 HH12 ARG 6 HH12 ARG 6 4.945 -6.046 -8.268
60 HH21 ARG 6 HH21 ARG 6 5.600 -6.719 -4.901
61 HH22 ARG 6 HH22 ARG 6 4.651 -7.145 -6.288
62 H SER 7 HN SER 7 9.312 0.779 -6.387
63 HA SER 7 HA SER 7 11.117 1.870 -8.435
64 HB2 SER 7 HB2 SER 7 8.775 2.427 -8.882
65 HB3 SER 7 HB3 SER 7 8.603 3.085 -7.256
66 HG SER 7 HG SER 7 10.189 4.084 -9.386
67 H ASP 8 HN ASP 8 9.555 3.268 -5.573
68 HA ASP 8 HA ASP 8 12.010 4.554 -4.794
69 HB2 ASP 8 HB2 ASP 8 9.315 4.442 -3.429
70 HB3 ASP 8 HB3 ASP 8 10.674 5.413 -2.882
71 H HIS 9 HN HIS 9 12.345 4.457 -2.221
72 HA HIS 9 HA HIS 9 13.515 1.993 -1.717
73 HB2 HIS 9 HB2 HIS 9 12.767 4.316 0.032
74 HB3 HIS 9 HB3 HIS 9 13.488 2.870 0.710
75 HD1 HIS 9 HD1 HIS 9 14.394 6.060 -0.583
76 HD2 HIS 9 HD2 HIS 9 16.083 2.266 -0.707
77 HE1 HIS 9 HE1 HIS 9 16.820 6.421 -1.116
78 HE2 HIS 9 HE2 HIS 9 17.787 4.108 -1.339
79 H ASP 10 HN ASP 10 10.374 3.288 -0.687
80 HA ASP 10 HA ASP 10 9.754 0.592 0.332
81 HB2 ASP 10 HB2 ASP 10 9.699 3.059 1.727
82 HB3 ASP 10 HB3 ASP 10 8.036 2.491 1.566
83 H SER 11 HN SER 11 9.117 2.204 -2.284
84 HA SER 11 HA SER 11 6.225 2.012 -2.178
85 HB2 SER 11 HB2 SER 11 7.310 3.841 -3.476
86 HB3 SER 11 HB3 SER 11 7.955 2.627 -4.565
87 HG SER 11 HG SER 11 5.264 3.359 -4.137
88 H HIS 12 HN HIS 12 5.711 -0.057 -1.892
89 HA HIS 12 HA HIS 12 6.233 -1.920 -4.086
90 HB2 HIS 12 HB2 HIS 12 6.590 -3.750 -2.358
91 HB3 HIS 12 HB3 HIS 12 7.925 -2.632 -2.584
92 HD1 HIS 12 HD1 HIS 12 5.252 -3.583 -0.083
93 HD2 HIS 12 HD2 HIS 12 8.579 -1.115 -0.336
94 HE1 HIS 12 HE1 HIS 12 5.723 -2.790 2.273
95 HE2 HIS 12 HE2 HIS 12 7.617 -1.151 2.042
96 H SER 13 HN SER 13 4.914 -4.038 -3.490
97 HA SER 13 HA SER 13 2.225 -3.193 -2.898
98 HB2 SER 13 HB2 SER 13 1.703 -5.623 -3.352
99 HB3 SER 13 HB3 SER 13 2.469 -4.769 -4.691
100 HG SER 13 HG SER 13 3.273 -6.984 -3.764
101 H CYS 14 HN CYS 14 0.924 -4.196 -1.301
102 HA CYS 14 HA CYS 14 2.294 -5.689 0.798
103 HB2 CYS 14 HB2 CYS 14 1.187 -4.310 2.535
104 HB3 CYS 14 HB3 CYS 14 2.392 -3.425 1.614
105 H ALA 15 HN ALA 15 0.593 -6.539 2.373
106 HA ALA 15 HA ALA 15 -1.121 -7.993 2.666
107 HB1 ALA 15 HB1 ALA 15 -2.573 -5.894 1.073
108 HB2 ALA 15 HB2 ALA 15 -2.423 -5.984 2.830
109 HB3 ALA 15 HB3 ALA 15 -3.359 -7.205 1.955
110 H ASN 16 HN ASN 16 0.528 -8.240 0.153
111 HA ASN 16 HA ASN 16 0.659 -9.439 -1.757
112 HB2 ASN 16 HB2 ASN 16 -1.561 -10.911 -0.369
113 HB3 ASN 16 HB3 ASN 16 -0.982 -11.398 -1.958
114 HD21 ASN 16 HD21 ASN 16 -0.227 -11.176 1.426
115 HD22 ASN 16 HD22 ASN 16 1.196 -12.158 1.376
116 H ASN 17 HN ASN 17 0.179 -7.491 -2.737
117 HA ASN 17 HA ASN 17 -0.658 -6.531 -4.641
118 HB2 ASN 17 HB2 ASN 17 -1.433 -8.225 -5.897
119 HB3 ASN 17 HB3 ASN 17 -2.162 -9.044 -4.531
120 HD21 ASN 17 HD21 ASN 17 -4.205 -8.384 -3.802
121 HD22 ASN 17 HD22 ASN 17 -5.326 -7.545 -4.831
122 H ARG 18 HN ARG 18 -2.725 -7.345 -2.002
123 HA ARG 18 HA ARG 18 -4.959 -5.784 -2.690
124 HB2 ARG 18 HB2 ARG 18 -4.035 -6.847 -0.027
125 HB3 ARG 18 HB3 ARG 18 -5.622 -6.156 -0.327
126 HG2 ARG 18 HG2 ARG 18 -6.233 -7.950 -1.706
127 HG3 ARG 18 HG3 ARG 18 -4.562 -8.510 -1.842
128 HD2 ARG 18 HD2 ARG 18 -4.678 -8.743 0.719
129 HD3 ARG 18 HD3 ARG 18 -6.432 -8.700 0.486
130 HE ARG 18 HE ARG 18 -4.640 -10.648 -0.778
131 HH11 ARG 18 HH11 ARG 18 -7.647 -9.857 0.828
132 HH12 ARG 18 HH12 ARG 18 -8.325 -11.437 0.625
133 HH21 ARG 18 HH21 ARG 18 -5.546 -12.741 -1.064
134 HH22 ARG 18 HH22 ARG 18 -7.131 -13.076 -0.450
135 H GLY 19 HN GLY 19 -1.960 -4.775 -1.876
136 HA2 GLY 19 HA2 GLY 19 -2.899 -2.148 -1.021
137 HA3 GLY 19 HA1 GLY 19 -1.826 -3.023 0.045
138 H TRP 20 HN TRP 20 -1.488 -0.487 -1.614
139 HA TRP 20 HA TRP 20 1.207 -1.288 -2.455
140 HB2 TRP 20 HB2 TRP 20 -0.282 -0.834 -4.491
141 HB3 TRP 20 HB3 TRP 20 -0.300 0.842 -3.957
142 HD1 TRP 20 HD1 TRP 20 1.931 2.256 -4.246
143 HE1 TRP 20 HE1 TRP 20 4.107 1.854 -5.496
144 HE3 TRP 20 HE3 TRP 20 1.371 -2.731 -5.211
145 HZ2 TRP 20 HZ2 TRP 20 5.442 -0.311 -6.721
146 HZ3 TRP 20 HZ3 TRP 20 3.175 -3.893 -6.418
147 HH2 TRP 20 HH2 TRP 20 5.164 -2.710 -7.164
148 H CYS 21 HN CYS 21 2.780 0.043 -1.877
149 HA CYS 21 HA CYS 21 2.225 2.062 0.087
150 HB2 CYS 21 HB2 CYS 21 4.859 1.378 -1.188
151 HB3 CYS 21 HB3 CYS 21 4.586 2.108 0.384
152 H ARG 22 HN ARG 22 1.202 3.762 -0.904
153 HA ARG 22 HA ARG 22 2.769 5.198 -2.952
154 HB2 ARG 22 HB2 ARG 22 -0.218 5.179 -2.552
155 HB3 ARG 22 HB3 ARG 22 0.625 6.148 -3.740
156 HG2 ARG 22 HG2 ARG 22 1.417 4.052 -4.789
157 HG3 ARG 22 HG3 ARG 22 0.423 3.153 -3.641
158 HD2 ARG 22 HD2 ARG 22 -1.059 5.247 -4.994
159 HD3 ARG 22 HD3 ARG 22 -0.362 4.077 -6.119
160 HE ARG 22 HE ARG 22 -2.435 3.593 -4.136
161 HH11 ARG 22 HH11 ARG 22 -0.259 2.330 -6.567
162 HH12 ARG 22 HH12 ARG 22 -1.079 0.806 -6.692
163 HH21 ARG 22 HH21 ARG 22 -3.504 1.566 -4.284
164 HH22 ARG 22 HH22 ARG 22 -2.917 0.371 -5.396
165 HA PRO 23 HA PRO 23 2.819 8.679 -0.198
166 HB2 PRO 23 HB2 PRO 23 2.178 10.518 -2.390
167 HB3 PRO 23 HB3 PRO 23 3.665 10.376 -1.461
168 HG2 PRO 23 HG2 PRO 23 3.467 9.646 -4.066
169 HG3 PRO 23 HG3 PRO 23 4.593 8.883 -2.934
170 HD2 PRO 23 HD2 PRO 23 1.981 7.891 -3.976
171 HD3 PRO 23 HD3 PRO 23 3.458 6.988 -3.581
172 H THR 24 HN THR 24 0.380 9.033 -2.760
173 HA THR 24 HA THR 24 -1.594 9.797 -0.729
174 HB THR 24 HB THR 24 -1.409 11.089 -3.445
175 HG1 THR 24 HG1 THR 24 -0.206 11.766 -0.979
176 HG21 THR 24 HG21 THR 24 -2.896 11.834 -0.930
177 HG22 THR 24 HG22 THR 24 -3.610 11.157 -2.393
178 HG23 THR 24 HG23 THR 24 -2.885 12.765 -2.427
179 H CYS 25 HN CYS 25 -3.238 8.443 -0.781
180 HA CYS 25 HA CYS 25 -3.508 6.411 -2.719
181 HB2 CYS 25 HB2 CYS 25 -5.539 7.331 -0.671
182 HB3 CYS 25 HB3 CYS 25 -5.473 5.752 -1.449
183 H PHE 26 HN PHE 26 -5.138 6.035 -4.227
184 HA PHE 26 HA PHE 26 -6.172 8.474 -5.452
185 HB2 PHE 26 HB2 PHE 26 -6.058 5.613 -6.420
186 HB3 PHE 26 HB3 PHE 26 -6.691 6.961 -7.363
187 HD1 PHE 26 HD1 PHE 26 -3.763 5.155 -6.360
188 HD2 PHE 26 HD2 PHE 26 -5.140 8.845 -7.962
189 HE1 PHE 26 HE1 PHE 26 -1.497 5.634 -7.196
190 HE2 PHE 26 HE2 PHE 26 -2.880 9.331 -8.798
191 HZ PHE 26 HZ PHE 26 -1.054 7.726 -8.417
192 H SER 27 HN SER 27 -8.413 8.132 -6.576
193 HA SER 27 HA SER 27 -10.239 7.850 -4.364
194 HB2 SER 27 HB2 SER 27 -10.754 8.656 -7.233
195 HB3 SER 27 HB3 SER 27 -11.896 8.811 -5.898
196 HG SER 27 HG SER 27 -9.457 10.186 -6.313
197 H HIS 28 HN HIS 28 -9.180 5.421 -4.997
198 HA HIS 28 HA HIS 28 -11.586 3.897 -5.287
199 HB2 HIS 28 HB2 HIS 28 -10.758 2.421 -7.096
200 HB3 HIS 28 HB3 HIS 28 -11.021 4.066 -7.659
201 HD1 HIS 28 HD1 HIS 28 -8.676 1.422 -7.944
202 HD2 HIS 28 HD2 HIS 28 -8.364 5.550 -7.603
203 HE1 HIS 28 HE1 HIS 28 -6.397 2.001 -8.825
204 HE2 HIS 28 HE2 HIS 28 -6.317 4.517 -8.799
205 H GLU 29 HN GLU 29 -9.521 4.551 -3.376
206 HA GLU 29 HA GLU 29 -8.548 1.890 -2.688
207 HB2 GLU 29 HB2 GLU 29 -6.732 4.307 -2.827
208 HB3 GLU 29 HB3 GLU 29 -6.281 2.685 -2.318
209 HG2 GLU 29 HG2 GLU 29 -6.535 1.829 -4.504
210 HG3 GLU 29 HG3 GLU 29 -7.330 3.297 -5.061
211 H TYR 30 HN TYR 30 -7.326 2.117 -0.491
212 HA TYR 30 HA TYR 30 -8.263 4.302 1.169
213 HB2 TYR 30 HB2 TYR 30 -9.304 2.851 2.832
214 HB3 TYR 30 HB3 TYR 30 -10.107 2.662 1.280
215 HD1 TYR 30 HD1 TYR 30 -7.964 1.066 3.775
216 HD2 TYR 30 HD2 TYR 30 -9.951 0.563 0.042
217 HE1 TYR 30 HE1 TYR 30 -7.635 -1.351 3.942
218 HE2 TYR 30 HE2 TYR 30 -9.643 -1.882 0.193
219 HH TYR 30 HH TYR 30 -8.544 -3.365 3.133
220 H THR 31 HN THR 31 -7.175 4.345 3.250
221 HA THR 31 HA THR 31 -4.459 3.390 2.981
222 HB THR 31 HB THR 31 -5.696 5.039 5.193
223 HG1 THR 31 HG1 THR 31 -4.895 5.645 2.633
224 HG21 THR 31 HG21 THR 31 -3.646 4.001 5.930
225 HG22 THR 31 HG22 THR 31 -3.334 5.709 5.613
226 HG23 THR 31 HG23 THR 31 -2.822 4.486 4.449
227 H ASP 32 HN ASP 32 -4.083 1.345 3.523
228 HA ASP 32 HA ASP 32 -5.303 0.160 5.883
229 HB2 ASP 32 HB2 ASP 32 -4.840 -1.181 3.819
230 HB3 ASP 32 HB3 ASP 32 -3.141 -0.943 4.094
231 H TRP 33 HN TRP 33 -4.496 0.602 7.812
232 HA TRP 33 HA TRP 33 -1.942 1.874 8.031
233 HB2 TRP 33 HB2 TRP 33 -4.153 1.278 9.971
234 HB3 TRP 33 HB3 TRP 33 -2.614 1.961 10.491
235 HD1 TRP 33 HD1 TRP 33 -5.875 2.957 8.906
236 HE1 TRP 33 HE1 TRP 33 -5.822 5.449 8.296
237 HE3 TRP 33 HE3 TRP 33 -0.911 3.837 9.642
238 HZ2 TRP 33 HZ2 TRP 33 -3.906 7.524 8.125
239 HZ3 TRP 33 HZ3 TRP 33 -0.035 6.099 9.211
240 HH2 TRP 33 HH2 TRP 33 -1.501 7.896 8.464
241 H PHE 34 HN PHE 34 -3.114 -1.280 8.253
242 HA PHE 34 HA PHE 34 -1.193 -2.392 10.027
243 HB2 PHE 34 HB2 PHE 34 -3.329 -3.507 9.355
244 HB3 PHE 34 HB3 PHE 34 -2.674 -3.708 7.729
245 HD1 PHE 34 HD1 PHE 34 -1.306 -5.525 7.200
246 HD2 PHE 34 HD2 PHE 34 -2.194 -4.662 11.269
247 HE1 PHE 34 HE1 PHE 34 -0.320 -7.679 7.867
248 HE2 PHE 34 HE2 PHE 34 -1.208 -6.815 11.947
249 HZ PHE 34 HZ PHE 34 -0.270 -8.325 10.241
250 H ASN 35 HN ASN 35 -1.482 -2.545 6.489
251 HA ASN 35 HA ASN 35 1.251 -3.329 6.196
252 HB2 ASN 35 HB2 ASN 35 -0.910 -2.572 4.255
253 HB3 ASN 35 HB3 ASN 35 0.737 -2.883 3.729
254 HD21 ASN 35 HD21 ASN 35 -2.175 -4.229 4.923
255 HD22 ASN 35 HD22 ASN 35 -1.745 -5.897 4.743
256 H ASN 36 HN ASN 36 -0.258 -0.346 6.726
257 HA ASN 36 HA ASN 36 1.588 1.394 5.542
258 HB2 ASN 36 HB2 ASN 36 -0.229 1.541 7.829
259 HB3 ASN 36 HB3 ASN 36 1.223 2.501 8.048
260 HD21 ASN 36 HD21 ASN 36 0.764 4.523 7.619
261 HD22 ASN 36 HD22 ASN 36 -0.140 5.097 6.265
262 H ASP 37 HN ASP 37 1.709 -0.606 8.400
263 HA ASP 37 HA ASP 37 4.107 0.324 9.510
264 HB2 ASP 37 HB2 ASP 37 2.527 -1.117 10.710
265 HB3 ASP 37 HB3 ASP 37 2.915 -2.438 9.623
266 H VAL 38 HN VAL 38 3.466 -2.214 7.102
267 HA VAL 38 HA VAL 38 6.231 -2.934 6.858
268 HB VAL 38 HB VAL 38 5.695 -4.288 5.011
269 HG11 VAL 38 HG11 VAL 38 4.749 -5.168 7.020
270 HG12 VAL 38 HG12 VAL 38 3.645 -5.502 5.686
271 HG13 VAL 38 HG13 VAL 38 3.292 -4.197 6.818
272 HG21 VAL 38 HG21 VAL 38 3.090 -2.810 4.618
273 HG22 VAL 38 HG22 VAL 38 3.715 -4.139 3.631
274 HG23 VAL 38 HG23 VAL 38 4.548 -2.581 3.647
275 H CYS 39 HN CYS 39 4.118 -0.705 5.200
276 HA CYS 39 HA CYS 39 6.115 0.201 3.353
277 HB2 CYS 39 HB2 CYS 39 3.427 1.372 4.106
278 HB3 CYS 39 HB3 CYS 39 4.399 1.848 2.720
279 H GLY 40 HN GLY 40 7.643 0.624 5.280
280 HA2 GLY 40 HA2 GLY 40 7.073 2.846 7.001
281 HA3 GLY 40 HA1 GLY 40 8.615 2.018 6.851
282 H SER 41 HN SER 41 6.508 4.266 5.126
283 HA SER 41 HA SER 41 8.180 6.384 4.702
284 HB2 SER 41 HB2 SER 41 9.744 4.879 3.534
285 HB3 SER 41 HB3 SER 41 8.452 4.361 2.458
286 HG SER 41 HG SER 41 8.617 7.032 2.403
287 H TYR 42 HN TYR 42 5.704 4.285 3.725
288 HA TYR 42 HA TYR 42 4.242 6.418 2.336
289 HB2 TYR 42 HB2 TYR 42 4.822 3.607 1.432
290 HB3 TYR 42 HB3 TYR 42 3.440 4.502 0.821
291 HD1 TYR 42 HD1 TYR 42 4.147 7.016 0.136
292 HD2 TYR 42 HD2 TYR 42 6.678 3.606 0.038
293 HE1 TYR 42 HE1 TYR 42 5.552 8.118 -1.523
294 HE2 TYR 42 HE2 TYR 42 8.110 4.703 -1.602
295 HH TYR 42 HH TYR 42 7.847 6.545 -3.369
296 H ARG 43 HN ARG 43 2.029 5.045 1.748
297 HA ARG 43 HA ARG 43 1.122 3.772 4.220
298 HB2 ARG 43 HB2 ARG 43 -0.981 5.029 4.094
299 HB3 ARG 43 HB3 ARG 43 0.387 6.116 4.260
300 HG2 ARG 43 HG2 ARG 43 0.203 6.128 1.611
301 HG3 ARG 43 HG3 ARG 43 -1.472 5.734 2.001
302 HD2 ARG 43 HD2 ARG 43 -1.276 8.108 1.818
303 HD3 ARG 43 HD3 ARG 43 -1.535 7.692 3.509
304 HE ARG 43 HE ARG 43 1.237 7.934 2.871
305 HH11 ARG 43 HH11 ARG 43 -1.641 9.780 3.617
306 HH12 ARG 43 HH12 ARG 43 -0.760 11.141 4.239
307 HH21 ARG 43 HH21 ARG 43 2.396 9.732 3.677
308 HH22 ARG 43 HH22 ARG 43 1.532 11.111 4.278
309 H CYS 44 HN CYS 44 -0.444 2.118 3.887
310 HA CYS 44 HA CYS 44 -0.092 0.956 1.269
311 HB2 CYS 44 HB2 CYS 44 0.101 -0.526 3.114
312 HB3 CYS 44 HB3 CYS 44 -1.440 -0.059 3.775
313 H CYS 45 HN CYS 45 -1.188 2.212 -0.107
314 HA CYS 45 HA CYS 45 -3.957 2.858 0.239
315 HB2 CYS 45 HB2 CYS 45 -2.164 3.046 -2.189
316 HB3 CYS 45 HB3 CYS 45 -3.762 3.775 -2.037
317 H ARG 46 HN ARG 46 -4.725 0.745 0.626
318 HA ARG 46 HA ARG 46 -4.528 -1.354 -1.268
319 HB2 ARG 46 HB2 ARG 46 -6.500 -0.878 0.968
320 HB3 ARG 46 HB3 ARG 46 -6.399 -2.364 0.037
321 HG2 ARG 46 HG2 ARG 46 -4.047 -2.602 0.824
322 HG3 ARG 46 HG3 ARG 46 -4.328 -1.224 1.889
323 HD2 ARG 46 HD2 ARG 46 -4.712 -3.117 3.227
324 HD3 ARG 46 HD3 ARG 46 -6.315 -2.526 2.792
325 HE ARG 46 HE ARG 46 -5.773 -4.394 0.902
326 HH11 ARG 46 HH11 ARG 46 -5.720 -4.366 4.398
327 HH12 ARG 46 HH12 ARG 46 -6.277 -6.001 4.557
328 HH21 ARG 46 HH21 ARG 46 -6.544 -6.566 1.118
329 HH22 ARG 46 HH22 ARG 46 -6.730 -7.254 2.694
330 HA PRO 47 HA PRO 47 -7.576 -0.032 -4.280
331 HB2 PRO 47 HB2 PRO 47 -7.839 -2.988 -4.523
332 HB3 PRO 47 HB3 PRO 47 -7.591 -1.779 -5.785
333 HG2 PRO 47 HG2 PRO 47 -5.604 -3.411 -4.946
334 HG3 PRO 47 HG3 PRO 47 -5.309 -1.748 -5.494
335 HD2 PRO 47 HD2 PRO 47 -5.276 -2.868 -2.755
336 HD3 PRO 47 HD3 PRO 47 -4.400 -1.476 -3.417
337 H GLY 48 HN GLY 48 -9.640 0.460 -3.716
338 HA2 GLY 48 HA2 GLY 48 -10.868 -0.600 -1.395
339 HA3 GLY 48 HA1 GLY 48 -11.658 0.410 -2.594
340 H ARG 49 HN ARG 49 -10.340 -2.199 -4.078
341 HA ARG 49 HA ARG 49 -12.622 -3.957 -3.704
342 HB2 ARG 49 HB2 ARG 49 -12.763 -4.261 -6.196
343 HB3 ARG 49 HB3 ARG 49 -13.261 -2.671 -5.650
344 HG2 ARG 49 HG2 ARG 49 -10.473 -3.165 -6.598
345 HG3 ARG 49 HG3 ARG 49 -11.786 -2.849 -7.729
346 HD2 ARG 49 HD2 ARG 49 -11.229 -1.015 -5.421
347 HD3 ARG 49 HD3 ARG 49 -10.344 -0.871 -6.936
348 HE ARG 49 HE ARG 49 -12.706 -0.679 -7.936
349 HH11 ARG 49 HH11 ARG 49 -11.816 0.523 -4.768
350 HH12 ARG 49 HH12 ARG 49 -12.948 1.833 -4.801
351 HH21 ARG 49 HH21 ARG 49 -14.151 1.085 -8.010
352 HH22 ARG 49 HH22 ARG 49 -14.256 2.172 -6.659
353 H AAR 50 HN AAR 50 -9.907 -3.983 -2.810
354 HA AAR 50 HA AAR 50 -8.153 -5.461 -4.315
355 HB2 AAR 50 HB2 AAR 50 -6.928 -5.898 -2.307
356 HB3 AAR 50 HB3 AAR 50 -7.553 -4.263 -2.247
357 HG2 AAR 50 HG2 AAR 50 -8.693 -6.637 -0.782
358 HG3 AAR 50 HG3 AAR 50 -7.669 -5.386 -0.083
359 HD2 AAR 50 HD2 AAR 50 -9.466 -3.741 -0.842
360 HD3 AAR 50 HD3 AAR 50 -10.485 -5.155 -1.096
361 HE AAR 50 HE AAR 50 -9.411 -4.224 1.487
362 HH11 AAR 50 HH21 AAR 50 -10.699 -4.772 3.303
363 HH12 AAR 50 HH22 AAR 50 -12.054 -5.840 3.112
364 HH21 AAR 50 HH11 AAR 50 -11.615 -6.271 -0.338
365 HH22 AAR 50 HH12 AAR 50 -12.579 -6.681 1.041
366 HNT1 AAR 50 HNT1 AAR 50 -8.377 -7.394 -5.209
367 HNT2 AAR 50 HNT2 AAR 50 -9.218 -8.750 -4.508
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 10.973 -4.691 2.896
2 H2 SER 1 HT2 SER 1 9.631 -3.792 2.762
3 H3 SER 1 HT3 SER 1 11.013 -3.280 2.091
4 HA SER 1 HA SER 1 9.543 -4.127 0.407
5 HB2 SER 1 HB2 SER 1 11.186 -5.930 -0.432
6 HB3 SER 1 HB3 SER 1 11.821 -4.306 -0.170
7 HG SER 1 HG SER 1 13.186 -5.198 1.141
8 H TYR 2 HN TYR 2 7.819 -4.906 2.144
9 HA TYR 2 HA TYR 2 7.547 -7.533 2.917
10 HB2 TYR 2 HB2 TYR 2 5.969 -5.767 3.534
11 HB3 TYR 2 HB3 TYR 2 5.404 -5.666 1.874
12 HD1 TYR 2 HD1 TYR 2 3.669 -7.045 1.115
13 HD2 TYR 2 HD2 TYR 2 5.546 -7.914 4.829
14 HE1 TYR 2 HE1 TYR 2 1.927 -8.710 1.595
15 HE2 TYR 2 HE2 TYR 2 3.810 -9.586 5.321
16 HH TYR 2 HH TYR 2 1.511 -10.103 4.675
17 H GLN 3 HN GLN 3 6.966 -6.128 -0.250
18 HA GLN 3 HA GLN 3 7.136 -8.785 -1.412
19 HB2 GLN 3 HB2 GLN 3 4.918 -6.819 -1.991
20 HB3 GLN 3 HB3 GLN 3 5.307 -8.168 -3.044
21 HG2 GLN 3 HG2 GLN 3 4.838 -9.719 -1.193
22 HG3 GLN 3 HG3 GLN 3 4.380 -8.349 -0.186
23 HE21 GLN 3 HE21 GLN 3 3.526 -10.327 -2.897
24 HE22 GLN 3 HE22 GLN 3 1.879 -9.822 -3.017
25 H ARG 4 HN ARG 4 9.290 -7.697 -1.629
26 HA ARG 4 HA ARG 4 10.889 -7.052 -3.117
27 HB2 ARG 4 HB2 ARG 4 9.409 -8.198 -4.765
28 HB3 ARG 4 HB3 ARG 4 8.606 -6.668 -5.055
29 HG2 ARG 4 HG2 ARG 4 11.128 -5.937 -5.562
30 HG3 ARG 4 HG3 ARG 4 11.217 -7.645 -5.983
31 HD2 ARG 4 HD2 ARG 4 9.442 -5.517 -7.142
32 HD3 ARG 4 HD3 ARG 4 10.611 -6.542 -7.977
33 HE ARG 4 HE ARG 4 8.570 -8.093 -6.757
34 HH11 ARG 4 HH11 ARG 4 9.163 -6.018 -9.515
35 HH12 ARG 4 HH12 ARG 4 7.993 -6.808 -10.519
36 HH21 ARG 4 HH21 ARG 4 7.031 -9.137 -8.078
37 HH22 ARG 4 HH22 ARG 4 6.778 -8.583 -9.702
38 H ILE 5 HN ILE 5 11.727 -5.136 -4.247
39 HA ILE 5 HA ILE 5 10.317 -2.638 -3.626
40 HB ILE 5 HB ILE 5 13.171 -3.230 -4.429
41 HG12 ILE 5 HG12 ILE 5 12.007 -1.925 -1.961
42 HG13 ILE 5 HG11 ILE 5 12.592 -3.582 -2.060
43 HG21 ILE 5 HG21 ILE 5 13.588 -0.803 -4.277
44 HG22 ILE 5 HG22 ILE 5 11.847 -0.542 -4.146
45 HG23 ILE 5 HG23 ILE 5 12.526 -1.243 -5.615
46 HD11 ILE 5 HD11 ILE 5 14.253 -1.100 -2.429
47 HD12 ILE 5 HD12 ILE 5 14.840 -2.760 -2.524
48 HD13 ILE 5 HD13 ILE 5 14.220 -2.129 -0.999
49 H ARG 6 HN ARG 6 9.106 -1.808 -5.263
50 HA ARG 6 HA ARG 6 9.757 -2.706 -7.983
51 HB2 ARG 6 HB2 ARG 6 7.145 -1.841 -6.780
52 HB3 ARG 6 HB3 ARG 6 7.377 -1.954 -8.511
53 HG2 ARG 6 HG2 ARG 6 6.475 -3.988 -8.123
54 HG3 ARG 6 HG3 ARG 6 8.172 -4.387 -7.876
55 HD2 ARG 6 HD2 ARG 6 7.939 -4.212 -5.506
56 HD3 ARG 6 HD3 ARG 6 6.300 -3.579 -5.661
57 HE ARG 6 HE ARG 6 7.015 -6.246 -5.451
58 HH11 ARG 6 HH11 ARG 6 4.919 -4.295 -7.494
59 HH12 ARG 6 HH12 ARG 6 3.825 -5.596 -7.815
60 HH21 ARG 6 HH21 ARG 6 5.564 -7.944 -5.893
61 HH22 ARG 6 HH22 ARG 6 4.191 -7.665 -6.920
62 H SER 7 HN SER 7 7.929 0.125 -6.807
63 HA SER 7 HA SER 7 9.050 1.646 -9.001
64 HB2 SER 7 HB2 SER 7 6.609 1.723 -8.357
65 HB3 SER 7 HB3 SER 7 7.090 2.588 -6.898
66 HG SER 7 HG SER 7 7.482 4.337 -8.042
67 H ASP 8 HN ASP 8 9.006 1.769 -5.480
68 HA ASP 8 HA ASP 8 11.464 3.359 -5.554
69 HB2 ASP 8 HB2 ASP 8 9.179 3.871 -3.631
70 HB3 ASP 8 HB3 ASP 8 10.746 4.666 -3.606
71 H HIS 9 HN HIS 9 12.504 3.248 -3.244
72 HA HIS 9 HA HIS 9 12.751 0.540 -2.640
73 HB2 HIS 9 HB2 HIS 9 14.119 1.289 -0.709
74 HB3 HIS 9 HB3 HIS 9 14.632 1.917 -2.254
75 HD1 HIS 9 HD1 HIS 9 13.989 2.914 1.133
76 HD2 HIS 9 HD2 HIS 9 13.762 4.742 -2.588
77 HE1 HIS 9 HE1 HIS 9 14.085 5.383 1.584
78 HE2 HIS 9 HE2 HIS 9 13.766 6.463 -0.665
79 H ASP 10 HN ASP 10 10.695 3.007 -1.266
80 HA ASP 10 HA ASP 10 9.709 1.086 0.710
81 HB2 ASP 10 HB2 ASP 10 9.008 3.987 0.241
82 HB3 ASP 10 HB3 ASP 10 8.234 2.975 1.444
83 H SER 11 HN SER 11 8.989 2.234 -2.433
84 HA SER 11 HA SER 11 6.137 1.858 -2.216
85 HB2 SER 11 HB2 SER 11 6.988 3.641 -3.653
86 HB3 SER 11 HB3 SER 11 7.833 2.458 -4.635
87 HG SER 11 HG SER 11 5.610 3.297 -5.265
88 H HIS 12 HN HIS 12 5.512 -0.162 -1.952
89 HA HIS 12 HA HIS 12 5.989 -2.045 -4.102
90 HB2 HIS 12 HB2 HIS 12 6.472 -3.890 -2.507
91 HB3 HIS 12 HB3 HIS 12 7.746 -2.684 -2.569
92 HD1 HIS 12 HD1 HIS 12 5.052 -4.035 -0.309
93 HD2 HIS 12 HD2 HIS 12 8.180 -1.296 -0.167
94 HE1 HIS 12 HE1 HIS 12 5.366 -3.458 2.131
95 HE2 HIS 12 HE2 HIS 12 7.247 -1.791 2.181
96 H SER 13 HN SER 13 4.624 -4.085 -3.641
97 HA SER 13 HA SER 13 1.992 -3.245 -2.839
98 HB2 SER 13 HB2 SER 13 1.505 -5.735 -3.390
99 HB3 SER 13 HB3 SER 13 1.939 -4.649 -4.710
100 HG SER 13 HG SER 13 3.204 -6.420 -4.959
101 H CYS 14 HN CYS 14 0.765 -4.222 -1.218
102 HA CYS 14 HA CYS 14 2.183 -5.858 0.745
103 HB2 CYS 14 HB2 CYS 14 1.181 -4.471 2.571
104 HB3 CYS 14 HB3 CYS 14 2.428 -3.653 1.641
105 H ALA 15 HN ALA 15 0.561 -6.681 2.407
106 HA ALA 15 HA ALA 15 -1.247 -7.977 2.856
107 HB1 ALA 15 HB1 ALA 15 -2.427 -5.862 2.919
108 HB2 ALA 15 HB2 ALA 15 -3.458 -7.109 2.208
109 HB3 ALA 15 HB3 ALA 15 -2.667 -5.921 1.170
110 H ASN 16 HN ASN 16 0.291 -8.327 0.244
111 HA ASN 16 HA ASN 16 0.351 -9.780 -1.489
112 HB2 ASN 16 HB2 ASN 16 -2.198 -10.877 -0.292
113 HB3 ASN 16 HB3 ASN 16 -1.320 -11.613 -1.626
114 HD21 ASN 16 HD21 ASN 16 -1.419 -11.052 1.779
115 HD22 ASN 16 HD22 ASN 16 -0.112 -12.102 2.202
116 H ASN 17 HN ASN 17 0.069 -7.723 -2.477
117 HA ASN 17 HA ASN 17 -0.612 -6.733 -4.427
118 HB2 ASN 17 HB2 ASN 17 -1.417 -8.455 -5.663
119 HB3 ASN 17 HB3 ASN 17 -2.389 -9.091 -4.349
120 HD21 ASN 17 HD21 ASN 17 -4.369 -8.107 -3.865
121 HD22 ASN 17 HD22 ASN 17 -5.276 -7.222 -5.054
122 H ARG 18 HN ARG 18 -2.811 -7.302 -1.818
123 HA ARG 18 HA ARG 18 -4.891 -5.585 -2.775
124 HB2 ARG 18 HB2 ARG 18 -4.563 -6.717 -0.006
125 HB3 ARG 18 HB3 ARG 18 -6.052 -6.191 -0.781
126 HG2 ARG 18 HG2 ARG 18 -6.209 -8.064 -2.075
127 HG3 ARG 18 HG3 ARG 18 -4.468 -8.355 -2.054
128 HD2 ARG 18 HD2 ARG 18 -4.970 -8.644 0.541
129 HD3 ARG 18 HD3 ARG 18 -6.546 -9.124 -0.103
130 HE ARG 18 HE ARG 18 -4.077 -10.332 -1.116
131 HH11 ARG 18 HH11 ARG 18 -7.163 -10.678 0.497
132 HH12 ARG 18 HH12 ARG 18 -7.130 -12.409 0.462
133 HH21 ARG 18 HH21 ARG 18 -4.043 -12.605 -1.185
134 HH22 ARG 18 HH22 ARG 18 -5.358 -13.506 -0.505
135 H GLY 19 HN GLY 19 -2.146 -4.514 -2.115
136 HA2 GLY 19 HA2 GLY 19 -2.944 -2.071 -0.823
137 HA3 GLY 19 HA1 GLY 19 -1.868 -3.070 0.126
138 H TRP 20 HN TRP 20 -1.598 -0.405 -1.505
139 HA TRP 20 HA TRP 20 1.068 -1.214 -2.441
140 HB2 TRP 20 HB2 TRP 20 -0.476 -0.586 -4.396
141 HB3 TRP 20 HB3 TRP 20 -0.409 1.053 -3.764
142 HD1 TRP 20 HD1 TRP 20 1.804 2.422 -4.110
143 HE1 TRP 20 HE1 TRP 20 3.978 2.013 -5.359
144 HE3 TRP 20 HE3 TRP 20 1.194 -2.543 -5.144
145 HZ2 TRP 20 HZ2 TRP 20 5.298 -0.143 -6.614
146 HZ3 TRP 20 HZ3 TRP 20 2.984 -3.700 -6.371
147 HH2 TRP 20 HH2 TRP 20 4.988 -2.522 -7.093
148 H CYS 21 HN CYS 21 2.695 -0.058 -1.718
149 HA CYS 21 HA CYS 21 2.286 1.950 0.266
150 HB2 CYS 21 HB2 CYS 21 4.836 1.196 -1.141
151 HB3 CYS 21 HB3 CYS 21 4.678 1.969 0.426
152 H ARG 22 HN ARG 22 1.233 3.661 -0.637
153 HA ARG 22 HA ARG 22 2.687 5.154 -2.726
154 HB2 ARG 22 HB2 ARG 22 -0.262 5.152 -2.097
155 HB3 ARG 22 HB3 ARG 22 0.496 6.152 -3.316
156 HG2 ARG 22 HG2 ARG 22 1.131 4.083 -4.509
157 HG3 ARG 22 HG3 ARG 22 0.228 3.158 -3.301
158 HD2 ARG 22 HD2 ARG 22 -1.735 4.658 -3.874
159 HD3 ARG 22 HD3 ARG 22 -0.807 5.159 -5.281
160 HE ARG 22 HE ARG 22 -2.277 2.762 -4.935
161 HH11 ARG 22 HH11 ARG 22 0.594 4.042 -6.498
162 HH12 ARG 22 HH12 ARG 22 0.534 2.905 -7.806
163 HH21 ARG 22 HH21 ARG 22 -2.344 1.277 -6.647
164 HH22 ARG 22 HH22 ARG 22 -1.134 1.328 -7.892
165 HA PRO 23 HA PRO 23 2.846 8.530 0.202
166 HB2 PRO 23 HB2 PRO 23 2.951 10.637 -1.491
167 HB3 PRO 23 HB3 PRO 23 4.321 9.547 -1.256
168 HG2 PRO 23 HG2 PRO 23 2.312 9.620 -3.469
169 HG3 PRO 23 HG3 PRO 23 4.062 9.356 -3.556
170 HD2 PRO 23 HD2 PRO 23 2.228 7.341 -3.674
171 HD3 PRO 23 HD3 PRO 23 3.874 7.130 -3.045
172 H THR 24 HN THR 24 0.403 8.180 -2.174
173 HA THR 24 HA THR 24 -1.577 9.358 -0.479
174 HB THR 24 HB THR 24 -0.763 11.380 -1.595
175 HG1 THR 24 HG1 THR 24 -2.779 11.960 -1.591
176 HG21 THR 24 HG21 THR 24 -1.487 9.974 -4.162
177 HG22 THR 24 HG22 THR 24 0.141 10.367 -3.615
178 HG23 THR 24 HG23 THR 24 -0.991 11.660 -4.016
179 H CYS 25 HN CYS 25 -3.578 8.544 -0.911
180 HA CYS 25 HA CYS 25 -3.617 6.232 -2.655
181 HB2 CYS 25 HB2 CYS 25 -5.735 7.284 -0.771
182 HB3 CYS 25 HB3 CYS 25 -5.676 5.679 -1.493
183 H PHE 26 HN PHE 26 -4.755 6.014 -4.490
184 HA PHE 26 HA PHE 26 -5.748 8.426 -5.731
185 HB2 PHE 26 HB2 PHE 26 -5.602 5.564 -6.693
186 HB3 PHE 26 HB3 PHE 26 -6.139 6.918 -7.685
187 HD1 PHE 26 HD1 PHE 26 -3.409 4.921 -6.874
188 HD2 PHE 26 HD2 PHE 26 -4.448 8.962 -7.696
189 HE1 PHE 26 HE1 PHE 26 -1.076 5.389 -7.492
190 HE2 PHE 26 HE2 PHE 26 -2.118 9.439 -8.314
191 HZ PHE 26 HZ PHE 26 -0.428 7.651 -8.212
192 H SER 27 HN SER 27 -7.877 8.018 -7.122
193 HA SER 27 HA SER 27 -9.926 7.988 -5.112
194 HB2 SER 27 HB2 SER 27 -10.190 8.363 -8.103
195 HB3 SER 27 HB3 SER 27 -11.384 8.799 -6.881
196 HG SER 27 HG SER 27 -10.288 10.546 -6.420
197 H HIS 28 HN HIS 28 -8.804 5.455 -5.398
198 HA HIS 28 HA HIS 28 -11.198 3.909 -5.766
199 HB2 HIS 28 HB2 HIS 28 -10.274 2.315 -7.384
200 HB3 HIS 28 HB3 HIS 28 -10.339 3.927 -8.082
201 HD1 HIS 28 HD1 HIS 28 -8.111 1.116 -7.640
202 HD2 HIS 28 HD2 HIS 28 -7.668 5.236 -8.001
203 HE1 HIS 28 HE1 HIS 28 -5.711 1.485 -8.291
204 HE2 HIS 28 HE2 HIS 28 -5.528 3.964 -8.702
205 H GLU 29 HN GLU 29 -9.145 4.691 -3.752
206 HA GLU 29 HA GLU 29 -8.328 2.022 -2.881
207 HB2 GLU 29 HB2 GLU 29 -6.469 4.389 -3.061
208 HB3 GLU 29 HB3 GLU 29 -6.073 2.837 -2.346
209 HG2 GLU 29 HG2 GLU 29 -6.308 1.759 -4.506
210 HG3 GLU 29 HG3 GLU 29 -6.780 3.294 -5.235
211 H TYR 30 HN TYR 30 -7.232 2.233 -0.658
212 HA TYR 30 HA TYR 30 -8.236 4.418 0.980
213 HB2 TYR 30 HB2 TYR 30 -9.244 2.873 2.619
214 HB3 TYR 30 HB3 TYR 30 -10.053 2.778 1.058
215 HD1 TYR 30 HD1 TYR 30 -9.974 0.745 -0.266
216 HD2 TYR 30 HD2 TYR 30 -7.826 1.039 3.403
217 HE1 TYR 30 HE1 TYR 30 -9.670 -1.696 -0.261
218 HE2 TYR 30 HE2 TYR 30 -7.475 -1.389 3.416
219 HH TYR 30 HH TYR 30 -9.042 -3.436 2.204
220 H THR 31 HN THR 31 -7.265 4.286 3.218
221 HA THR 31 HA THR 31 -4.484 3.459 2.905
222 HB THR 31 HB THR 31 -5.727 5.098 5.122
223 HG1 THR 31 HG1 THR 31 -4.994 5.742 2.536
224 HG21 THR 31 HG21 THR 31 -3.404 5.848 5.501
225 HG22 THR 31 HG22 THR 31 -2.854 4.714 4.268
226 HG23 THR 31 HG23 THR 31 -3.594 4.113 5.751
227 H ASP 32 HN ASP 32 -4.168 1.343 3.462
228 HA ASP 32 HA ASP 32 -5.370 0.251 5.869
229 HB2 ASP 32 HB2 ASP 32 -4.881 -1.264 3.995
230 HB3 ASP 32 HB3 ASP 32 -3.179 -0.890 4.131
231 H TRP 33 HN TRP 33 -4.548 0.723 7.828
232 HA TRP 33 HA TRP 33 -1.977 1.979 8.016
233 HB2 TRP 33 HB2 TRP 33 -4.201 1.469 9.968
234 HB3 TRP 33 HB3 TRP 33 -2.647 2.126 10.481
235 HD1 TRP 33 HD1 TRP 33 -5.855 3.130 8.749
236 HE1 TRP 33 HE1 TRP 33 -5.728 5.615 8.081
237 HE3 TRP 33 HE3 TRP 33 -0.927 3.972 9.771
238 HZ2 TRP 33 HZ2 TRP 33 -3.773 7.656 7.994
239 HZ3 TRP 33 HZ3 TRP 33 -0.001 6.215 9.356
240 HH2 TRP 33 HH2 TRP 33 -1.394 8.010 8.477
241 H PHE 34 HN PHE 34 -3.197 -1.168 8.340
242 HA PHE 34 HA PHE 34 -1.266 -2.245 10.118
243 HB2 PHE 34 HB2 PHE 34 -3.404 -3.375 9.447
244 HB3 PHE 34 HB3 PHE 34 -2.711 -3.635 7.842
245 HD1 PHE 34 HD1 PHE 34 -1.900 -4.246 11.429
246 HD2 PHE 34 HD2 PHE 34 -1.710 -5.654 7.421
247 HE1 PHE 34 HE1 PHE 34 -0.899 -6.348 12.222
248 HE2 PHE 34 HE2 PHE 34 -0.705 -7.759 8.206
249 HZ PHE 34 HZ PHE 34 -0.300 -8.106 10.608
250 H ASN 35 HN ASN 35 -1.546 -2.467 6.582
251 HA ASN 35 HA ASN 35 1.200 -3.245 6.345
252 HB2 ASN 35 HB2 ASN 35 -0.968 -2.671 4.352
253 HB3 ASN 35 HB3 ASN 35 0.688 -2.956 3.847
254 HD21 ASN 35 HD21 ASN 35 -2.150 -4.314 5.222
255 HD22 ASN 35 HD22 ASN 35 -1.677 -5.981 5.104
256 H ASN 36 HN ASN 36 -0.300 -0.243 6.751
257 HA ASN 36 HA ASN 36 1.482 1.460 5.444
258 HB2 ASN 36 HB2 ASN 36 -0.153 1.656 7.880
259 HB3 ASN 36 HB3 ASN 36 1.312 2.624 7.943
260 HD21 ASN 36 HD21 ASN 36 0.670 4.636 7.618
261 HD22 ASN 36 HD22 ASN 36 -0.315 5.173 6.304
262 H ASP 37 HN ASP 37 1.744 -0.406 8.386
263 HA ASP 37 HA ASP 37 4.275 0.447 9.241
264 HB2 ASP 37 HB2 ASP 37 2.716 -0.789 10.669
265 HB3 ASP 37 HB3 ASP 37 2.914 -2.210 9.654
266 H VAL 38 HN VAL 38 3.314 -2.244 7.094
267 HA VAL 38 HA VAL 38 6.003 -3.161 6.735
268 HB VAL 38 HB VAL 38 5.275 -4.589 5.034
269 HG11 VAL 38 HG11 VAL 38 4.401 -5.277 7.141
270 HG12 VAL 38 HG12 VAL 38 3.194 -5.614 5.900
271 HG13 VAL 38 HG13 VAL 38 3.002 -4.219 6.962
272 HG21 VAL 38 HG21 VAL 38 4.189 -2.951 3.589
273 HG22 VAL 38 HG22 VAL 38 2.791 -2.921 4.669
274 HG23 VAL 38 HG23 VAL 38 3.196 -4.399 3.788
275 H CYS 39 HN CYS 39 4.073 -0.750 5.205
276 HA CYS 39 HA CYS 39 5.676 -0.398 2.903
277 HB2 CYS 39 HB2 CYS 39 3.546 1.270 4.217
278 HB3 CYS 39 HB3 CYS 39 4.385 1.802 2.764
279 H GLY 40 HN GLY 40 5.831 0.916 6.137
280 HA2 GLY 40 HA2 GLY 40 7.691 1.903 7.123
281 HA3 GLY 40 HA1 GLY 40 8.482 1.894 5.561
282 H SER 41 HN SER 41 8.318 3.656 4.224
283 HA SER 41 HA SER 41 7.607 6.104 5.640
284 HB2 SER 41 HB2 SER 41 9.870 5.795 4.660
285 HB3 SER 41 HB3 SER 41 9.139 5.734 3.059
286 HG SER 41 HG SER 41 8.185 7.897 3.923
287 H TYR 42 HN TYR 42 6.120 4.049 3.598
288 HA TYR 42 HA TYR 42 4.440 6.170 2.404
289 HB2 TYR 42 HB2 TYR 42 5.203 3.429 1.453
290 HB3 TYR 42 HB3 TYR 42 3.704 4.167 0.911
291 HD1 TYR 42 HD1 TYR 42 6.721 3.427 -0.250
292 HD2 TYR 42 HD2 TYR 42 4.364 6.899 0.374
293 HE1 TYR 42 HE1 TYR 42 7.939 4.563 -2.046
294 HE2 TYR 42 HE2 TYR 42 5.572 8.048 -1.424
295 HH TYR 42 HH TYR 42 7.667 6.427 -3.589
296 H ARG 43 HN ARG 43 2.189 5.251 1.965
297 HA ARG 43 HA ARG 43 1.284 3.765 4.335
298 HB2 ARG 43 HB2 ARG 43 -0.802 5.038 4.190
299 HB3 ARG 43 HB3 ARG 43 0.572 6.122 4.346
300 HG2 ARG 43 HG2 ARG 43 0.419 6.143 1.716
301 HG3 ARG 43 HG3 ARG 43 -1.249 5.676 2.054
302 HD2 ARG 43 HD2 ARG 43 -1.073 8.074 1.851
303 HD3 ARG 43 HD3 ARG 43 -1.500 7.625 3.499
304 HE ARG 43 HE ARG 43 1.313 8.117 2.911
305 HH11 ARG 43 HH11 ARG 43 -1.685 9.268 4.314
306 HH12 ARG 43 HH12 ARG 43 -0.917 10.513 5.246
307 HH21 ARG 43 HH21 ARG 43 2.321 9.749 4.141
308 HH22 ARG 43 HH22 ARG 43 1.366 10.788 5.149
309 H CYS 44 HN CYS 44 -0.375 2.169 3.985
310 HA CYS 44 HA CYS 44 -0.005 0.955 1.386
311 HB2 CYS 44 HB2 CYS 44 0.062 -0.453 3.371
312 HB3 CYS 44 HB3 CYS 44 -1.564 -0.013 3.788
313 H CYS 45 HN CYS 45 -1.050 2.363 0.050
314 HA CYS 45 HA CYS 45 -3.847 2.901 0.313
315 HB2 CYS 45 HB2 CYS 45 -1.925 3.255 -1.996
316 HB3 CYS 45 HB3 CYS 45 -3.592 3.831 -1.983
317 H ARG 46 HN ARG 46 -5.002 1.134 0.380
318 HA ARG 46 HA ARG 46 -4.401 -1.098 -1.371
319 HB2 ARG 46 HB2 ARG 46 -6.466 -0.842 0.811
320 HB3 ARG 46 HB3 ARG 46 -5.982 -2.329 0.009
321 HG2 ARG 46 HG2 ARG 46 -3.595 -1.430 0.891
322 HG3 ARG 46 HG3 ARG 46 -4.654 -0.798 2.125
323 HD2 ARG 46 HD2 ARG 46 -4.207 -3.643 1.337
324 HD3 ARG 46 HD3 ARG 46 -3.917 -2.902 2.901
325 HE ARG 46 HE ARG 46 -6.661 -3.090 1.900
326 HH11 ARG 46 HH11 ARG 46 -4.152 -4.212 4.067
327 HH12 ARG 46 HH12 ARG 46 -5.243 -5.031 5.136
328 HH21 ARG 46 HH21 ARG 46 -8.120 -4.185 3.350
329 HH22 ARG 46 HH22 ARG 46 -7.485 -5.018 4.730
330 HA PRO 47 HA PRO 47 -7.535 -0.109 -4.223
331 HB2 PRO 47 HB2 PRO 47 -8.023 -2.598 -5.218
332 HB3 PRO 47 HB3 PRO 47 -6.577 -1.672 -5.624
333 HG2 PRO 47 HG2 PRO 47 -6.908 -3.937 -3.724
334 HG3 PRO 47 HG3 PRO 47 -5.527 -3.537 -4.754
335 HD2 PRO 47 HD2 PRO 47 -5.687 -3.014 -2.059
336 HD3 PRO 47 HD3 PRO 47 -4.623 -2.153 -3.173
337 H GLY 48 HN GLY 48 -9.553 0.397 -3.657
338 HA2 GLY 48 HA2 GLY 48 -10.797 -0.651 -1.395
339 HA3 GLY 48 HA1 GLY 48 -11.608 0.311 -2.623
340 H ARG 49 HN ARG 49 -10.667 -1.981 -4.500
341 HA ARG 49 HA ARG 49 -12.983 -3.681 -3.947
342 HB2 ARG 49 HB2 ARG 49 -12.629 -4.308 -6.465
343 HB3 ARG 49 HB3 ARG 49 -13.442 -2.816 -6.026
344 HG2 ARG 49 HG2 ARG 49 -11.905 -2.421 -7.839
345 HG3 ARG 49 HG3 ARG 49 -11.353 -1.580 -6.393
346 HD2 ARG 49 HD2 ARG 49 -9.476 -2.598 -7.522
347 HD3 ARG 49 HD3 ARG 49 -9.746 -3.397 -5.976
348 HE ARG 49 HE ARG 49 -11.100 -4.987 -7.650
349 HH11 ARG 49 HH11 ARG 49 -7.873 -3.638 -7.864
350 HH12 ARG 49 HH12 ARG 49 -7.234 -4.989 -8.740
351 HH21 ARG 49 HH21 ARG 49 -10.259 -6.755 -8.813
352 HH22 ARG 49 HH22 ARG 49 -8.592 -6.753 -9.295
353 H AAR 50 HN AAR 50 -10.068 -3.933 -3.020
354 HA AAR 50 HA AAR 50 -8.802 -6.133 -3.974
355 HB2 AAR 50 HB2 AAR 50 -8.098 -6.596 -1.619
356 HB3 AAR 50 HB3 AAR 50 -7.876 -4.930 -2.128
357 HG2 AAR 50 HG2 AAR 50 -9.053 -4.237 -0.390
358 HG3 AAR 50 HG3 AAR 50 -10.453 -5.149 -0.961
359 HD2 AAR 50 HD2 AAR 50 -9.973 -5.876 1.257
360 HD3 AAR 50 HD3 AAR 50 -9.490 -7.165 0.158
361 HE AAR 50 HE AAR 50 -7.370 -5.346 0.890
362 HH11 AAR 50 HH21 AAR 50 -5.641 -6.195 2.146
363 HH12 AAR 50 HH22 AAR 50 -5.803 -7.759 2.878
364 HH21 AAR 50 HH11 AAR 50 -9.043 -8.320 1.665
365 HH22 AAR 50 HH12 AAR 50 -7.744 -8.956 2.622
366 HNT1 AAR 50 HNT1 AAR 50 -9.567 -8.042 -4.592
367 HNT2 AAR 50 HNT2 AAR 50 -10.793 -8.970 -3.774
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 10.377 -4.233 3.650
2 H2 SER 1 HT2 SER 1 11.793 -3.841 2.955
3 H3 SER 1 HT3 SER 1 11.555 -5.346 3.517
4 HA SER 1 HA SER 1 10.090 -4.129 1.299
5 HB2 SER 1 HB2 SER 1 12.142 -6.351 1.209
6 HB3 SER 1 HB3 SER 1 11.374 -5.547 -0.161
7 HG SER 1 HG SER 1 12.411 -3.583 0.608
8 H TYR 2 HN TYR 2 8.117 -4.818 2.410
9 HA TYR 2 HA TYR 2 7.438 -7.418 3.071
10 HB2 TYR 2 HB2 TYR 2 5.966 -5.441 3.350
11 HB3 TYR 2 HB3 TYR 2 5.693 -5.417 1.616
12 HD1 TYR 2 HD1 TYR 2 4.898 -7.098 4.765
13 HD2 TYR 2 HD2 TYR 2 4.257 -7.078 0.559
14 HE1 TYR 2 HE1 TYR 2 2.953 -8.575 5.059
15 HE2 TYR 2 HE2 TYR 2 2.315 -8.553 0.842
16 HH TYR 2 HH TYR 2 1.536 -10.265 2.583
17 H GLN 3 HN GLN 3 7.707 -5.943 -0.107
18 HA GLN 3 HA GLN 3 8.093 -8.482 -1.330
19 HB2 GLN 3 HB2 GLN 3 5.570 -8.296 -1.157
20 HB3 GLN 3 HB3 GLN 3 5.675 -6.930 -2.258
21 HG2 GLN 3 HG2 GLN 3 5.177 -8.669 -3.675
22 HG3 GLN 3 HG3 GLN 3 6.930 -8.568 -3.804
23 HE21 GLN 3 HE21 GLN 3 7.232 -9.825 -1.105
24 HE22 GLN 3 HE22 GLN 3 6.930 -11.503 -1.366
25 H ARG 4 HN ARG 4 10.034 -7.439 -1.801
26 HA ARG 4 HA ARG 4 11.514 -6.584 -3.276
27 HB2 ARG 4 HB2 ARG 4 9.912 -7.549 -4.954
28 HB3 ARG 4 HB3 ARG 4 9.177 -5.961 -5.080
29 HG2 ARG 4 HG2 ARG 4 11.499 -5.116 -5.695
30 HG3 ARG 4 HG3 ARG 4 11.937 -6.813 -5.894
31 HD2 ARG 4 HD2 ARG 4 9.833 -5.258 -7.401
32 HD3 ARG 4 HD3 ARG 4 11.327 -5.949 -8.037
33 HE ARG 4 HE ARG 4 9.366 -7.788 -6.894
34 HH11 ARG 4 HH11 ARG 4 10.906 -6.457 -9.735
35 HH12 ARG 4 HH12 ARG 4 10.324 -7.704 -10.788
36 HH21 ARG 4 HH21 ARG 4 8.596 -9.428 -8.273
37 HH22 ARG 4 HH22 ARG 4 8.997 -9.389 -9.962
38 H ILE 5 HN ILE 5 12.410 -4.649 -4.035
39 HA ILE 5 HA ILE 5 11.022 -2.173 -3.270
40 HB ILE 5 HB ILE 5 13.950 -2.755 -3.767
41 HG12 ILE 5 HG12 ILE 5 12.478 -1.778 -1.312
42 HG13 ILE 5 HG11 ILE 5 13.075 -3.414 -1.564
43 HG21 ILE 5 HG21 ILE 5 12.593 -0.107 -3.322
44 HG22 ILE 5 HG22 ILE 5 13.529 -0.609 -4.728
45 HG23 ILE 5 HG23 ILE 5 14.332 -0.363 -3.177
46 HD11 ILE 5 HD11 ILE 5 14.545 -2.168 -0.105
47 HD12 ILE 5 HD12 ILE 5 14.752 -0.927 -1.341
48 HD13 ILE 5 HD13 ILE 5 15.364 -2.558 -1.616
49 H ARG 6 HN ARG 6 9.954 -1.296 -4.955
50 HA ARG 6 HA ARG 6 10.701 -2.160 -7.622
51 HB2 ARG 6 HB2 ARG 6 8.227 -0.862 -6.499
52 HB3 ARG 6 HB3 ARG 6 8.502 -1.045 -8.213
53 HG2 ARG 6 HG2 ARG 6 7.068 -2.795 -7.401
54 HG3 ARG 6 HG3 ARG 6 8.590 -3.451 -7.975
55 HD2 ARG 6 HD2 ARG 6 9.306 -4.012 -5.871
56 HD3 ARG 6 HD3 ARG 6 8.315 -2.789 -5.091
57 HE ARG 6 HE ARG 6 6.998 -4.575 -4.617
58 HH11 ARG 6 HH11 ARG 6 7.950 -4.970 -8.003
59 HH12 ARG 6 HH12 ARG 6 6.865 -6.295 -8.255
60 HH21 ARG 6 HH21 ARG 6 5.584 -6.308 -5.005
61 HH22 ARG 6 HH22 ARG 6 5.534 -7.043 -6.574
62 H SER 7 HN SER 7 8.996 0.834 -7.108
63 HA SER 7 HA SER 7 10.783 2.259 -8.815
64 HB2 SER 7 HB2 SER 7 8.353 2.724 -8.751
65 HB3 SER 7 HB3 SER 7 8.512 3.293 -7.093
66 HG SER 7 HG SER 7 10.047 4.435 -9.164
67 H ASP 8 HN ASP 8 9.786 2.873 -5.452
68 HA ASP 8 HA ASP 8 12.525 3.816 -4.902
69 HB2 ASP 8 HB2 ASP 8 10.432 5.415 -4.672
70 HB3 ASP 8 HB3 ASP 8 10.185 4.529 -3.170
71 H HIS 9 HN HIS 9 12.485 3.719 -2.152
72 HA HIS 9 HA HIS 9 12.798 0.939 -1.695
73 HB2 HIS 9 HB2 HIS 9 12.900 3.354 0.096
74 HB3 HIS 9 HB3 HIS 9 13.152 1.727 0.693
75 HD1 HIS 9 HD1 HIS 9 15.490 0.921 0.661
76 HD2 HIS 9 HD2 HIS 9 14.872 4.071 -1.977
77 HE1 HIS 9 HE1 HIS 9 17.757 1.470 -0.277
78 HE2 HIS 9 HE2 HIS 9 17.381 3.499 -1.717
79 H ASP 10 HN ASP 10 10.372 3.316 -0.912
80 HA ASP 10 HA ASP 10 9.010 1.510 0.890
81 HB2 ASP 10 HB2 ASP 10 8.372 4.345 0.063
82 HB3 ASP 10 HB3 ASP 10 7.499 3.431 1.288
83 H SER 11 HN SER 11 8.743 2.574 -2.402
84 HA SER 11 HA SER 11 5.972 1.988 -2.708
85 HB2 SER 11 HB2 SER 11 7.433 1.866 -5.180
86 HB3 SER 11 HB3 SER 11 6.302 3.093 -4.622
87 HG SER 11 HG SER 11 8.016 4.304 -4.570
88 H HIS 12 HN HIS 12 5.501 -0.075 -2.092
89 HA HIS 12 HA HIS 12 6.196 -2.122 -4.008
90 HB2 HIS 12 HB2 HIS 12 6.857 -3.774 -2.313
91 HB3 HIS 12 HB3 HIS 12 7.977 -2.421 -2.363
92 HD1 HIS 12 HD1 HIS 12 5.305 -3.970 -0.192
93 HD2 HIS 12 HD2 HIS 12 8.168 -0.961 0.008
94 HE1 HIS 12 HE1 HIS 12 5.453 -3.315 2.235
95 HE2 HIS 12 HE2 HIS 12 7.275 -1.585 2.341
96 H SER 13 HN SER 13 5.008 -4.219 -3.394
97 HA SER 13 HA SER 13 2.267 -3.542 -2.872
98 HB2 SER 13 HB2 SER 13 1.938 -6.035 -3.283
99 HB3 SER 13 HB3 SER 13 2.618 -5.114 -4.624
100 HG SER 13 HG SER 13 3.666 -7.200 -3.288
101 H CYS 14 HN CYS 14 0.964 -4.448 -1.279
102 HA CYS 14 HA CYS 14 2.224 -5.961 0.873
103 HB2 CYS 14 HB2 CYS 14 1.194 -4.505 2.584
104 HB3 CYS 14 HB3 CYS 14 2.417 -3.671 1.640
105 H ALA 15 HN ALA 15 0.391 -6.580 2.487
106 HA ALA 15 HA ALA 15 -1.484 -7.802 2.852
107 HB1 ALA 15 HB1 ALA 15 -2.505 -5.588 2.709
108 HB2 ALA 15 HB2 ALA 15 -3.589 -6.844 2.101
109 HB3 ALA 15 HB3 ALA 15 -2.723 -5.805 0.971
110 H ASN 16 HN ASN 16 0.183 -8.480 0.416
111 HA ASN 16 HA ASN 16 0.225 -10.105 -1.153
112 HB2 ASN 16 HB2 ASN 16 -2.243 -10.867 0.362
113 HB3 ASN 16 HB3 ASN 16 -1.834 -11.720 -1.118
114 HD21 ASN 16 HD21 ASN 16 -0.993 -11.129 2.180
115 HD22 ASN 16 HD22 ASN 16 0.209 -12.367 2.312
116 H ASN 17 HN ASN 17 -0.084 -8.059 -2.423
117 HA ASN 17 HA ASN 17 -0.818 -7.159 -4.388
118 HB2 ASN 17 HB2 ASN 17 -1.687 -8.857 -5.629
119 HB3 ASN 17 HB3 ASN 17 -2.571 -9.536 -4.266
120 HD21 ASN 17 HD21 ASN 17 -4.549 -8.525 -3.647
121 HD22 ASN 17 HD22 ASN 17 -5.521 -7.652 -4.797
122 H ARG 18 HN ARG 18 -3.043 -7.723 -1.746
123 HA ARG 18 HA ARG 18 -5.010 -5.889 -2.678
124 HB2 ARG 18 HB2 ARG 18 -4.646 -7.304 -0.038
125 HB3 ARG 18 HB3 ARG 18 -6.026 -6.280 -0.413
126 HG2 ARG 18 HG2 ARG 18 -6.970 -8.187 -1.085
127 HG3 ARG 18 HG3 ARG 18 -6.021 -7.938 -2.547
128 HD2 ARG 18 HD2 ARG 18 -5.663 -10.174 -1.892
129 HD3 ARG 18 HD3 ARG 18 -4.205 -9.276 -1.470
130 HE ARG 18 HE ARG 18 -5.531 -9.214 0.833
131 HH11 ARG 18 HH11 ARG 18 -4.940 -11.849 -1.380
132 HH12 ARG 18 HH12 ARG 18 -4.870 -13.052 -0.132
133 HH21 ARG 18 HH21 ARG 18 -5.425 -10.788 2.489
134 HH22 ARG 18 HH22 ARG 18 -5.146 -12.447 2.067
135 H GLY 19 HN GLY 19 -2.187 -4.985 -2.039
136 HA2 GLY 19 HA2 GLY 19 -2.922 -2.454 -0.848
137 HA3 GLY 19 HA1 GLY 19 -1.840 -3.440 0.117
138 H TRP 20 HN TRP 20 -1.590 -0.850 -1.608
139 HA TRP 20 HA TRP 20 1.103 -1.634 -2.449
140 HB2 TRP 20 HB2 TRP 20 -0.327 -1.407 -4.514
141 HB3 TRP 20 HB3 TRP 20 -0.547 0.292 -4.093
142 HD1 TRP 20 HD1 TRP 20 1.513 1.924 -4.436
143 HE1 TRP 20 HE1 TRP 20 3.786 1.681 -5.572
144 HE3 TRP 20 HE3 TRP 20 1.528 -3.140 -5.097
145 HZ2 TRP 20 HZ2 TRP 20 5.389 -0.405 -6.606
146 HZ3 TRP 20 HZ3 TRP 20 3.479 -4.175 -6.176
147 HH2 TRP 20 HH2 TRP 20 5.364 -2.834 -6.917
148 H CYS 21 HN CYS 21 2.633 -0.310 -1.798
149 HA CYS 21 HA CYS 21 1.954 1.761 0.052
150 HB2 CYS 21 HB2 CYS 21 4.669 1.053 -1.036
151 HB3 CYS 21 HB3 CYS 21 4.300 1.879 0.474
152 H ARG 22 HN ARG 22 1.324 3.671 -0.591
153 HA ARG 22 HA ARG 22 2.865 5.025 -2.701
154 HB2 ARG 22 HB2 ARG 22 -0.130 5.141 -2.318
155 HB3 ARG 22 HB3 ARG 22 0.776 6.099 -3.467
156 HG2 ARG 22 HG2 ARG 22 1.431 4.041 -4.626
157 HG3 ARG 22 HG3 ARG 22 0.470 3.110 -3.470
158 HD2 ARG 22 HD2 ARG 22 -0.611 3.702 -5.720
159 HD3 ARG 22 HD3 ARG 22 -1.546 3.992 -4.252
160 HE ARG 22 HE ARG 22 -1.537 6.212 -4.744
161 HH11 ARG 22 HH11 ARG 22 1.034 4.677 -6.568
162 HH12 ARG 22 HH12 ARG 22 1.557 6.149 -7.320
163 HH21 ARG 22 HH21 ARG 22 -0.848 8.163 -5.735
164 HH22 ARG 22 HH22 ARG 22 0.482 8.135 -6.852
165 HA PRO 23 HA PRO 23 2.954 8.306 0.310
166 HB2 PRO 23 HB2 PRO 23 3.335 10.454 -1.305
167 HB3 PRO 23 HB3 PRO 23 4.611 9.301 -0.907
168 HG2 PRO 23 HG2 PRO 23 3.040 9.605 -3.400
169 HG3 PRO 23 HG3 PRO 23 4.699 9.032 -3.173
170 HD2 PRO 23 HD2 PRO 23 2.474 7.423 -3.634
171 HD3 PRO 23 HD3 PRO 23 4.034 6.877 -2.992
172 H THR 24 HN THR 24 0.642 8.170 -2.189
173 HA THR 24 HA THR 24 -1.302 9.500 -0.555
174 HB THR 24 HB THR 24 -0.435 11.458 -1.658
175 HG1 THR 24 HG1 THR 24 -2.626 11.260 -3.280
176 HG21 THR 24 HG21 THR 24 -0.908 9.981 -4.243
177 HG22 THR 24 HG22 THR 24 0.656 10.418 -3.556
178 HG23 THR 24 HG23 THR 24 -0.447 11.679 -4.109
179 H CYS 25 HN CYS 25 -3.245 8.604 -0.830
180 HA CYS 25 HA CYS 25 -3.431 6.386 -2.679
181 HB2 CYS 25 HB2 CYS 25 -5.337 7.347 -0.534
182 HB3 CYS 25 HB3 CYS 25 -5.448 5.819 -1.401
183 H PHE 26 HN PHE 26 -4.861 6.167 -4.333
184 HA PHE 26 HA PHE 26 -6.030 8.567 -5.432
185 HB2 PHE 26 HB2 PHE 26 -6.292 5.683 -6.296
186 HB3 PHE 26 HB3 PHE 26 -6.847 7.082 -7.215
187 HD1 PHE 26 HD1 PHE 26 -4.996 8.870 -7.719
188 HD2 PHE 26 HD2 PHE 26 -4.245 4.794 -6.767
189 HE1 PHE 26 HE1 PHE 26 -2.800 9.022 -8.808
190 HE2 PHE 26 HE2 PHE 26 -2.051 4.941 -7.851
191 HZ PHE 26 HZ PHE 26 -1.320 7.051 -8.863
192 H SER 27 HN SER 27 -8.388 8.334 -6.264
193 HA SER 27 HA SER 27 -10.007 8.047 -3.909
194 HB2 SER 27 HB2 SER 27 -10.825 8.784 -6.726
195 HB3 SER 27 HB3 SER 27 -11.780 9.020 -5.262
196 HG SER 27 HG SER 27 -10.715 10.786 -4.895
197 H HIS 28 HN HIS 28 -8.840 5.757 -5.747
198 HA HIS 28 HA HIS 28 -11.263 4.114 -5.463
199 HB2 HIS 28 HB2 HIS 28 -10.523 2.696 -7.287
200 HB3 HIS 28 HB3 HIS 28 -10.618 4.358 -7.846
201 HD1 HIS 28 HD1 HIS 28 -8.379 1.489 -7.702
202 HD2 HIS 28 HD2 HIS 28 -7.965 5.604 -8.071
203 HE1 HIS 28 HE1 HIS 28 -6.084 1.856 -8.644
204 HE2 HIS 28 HE2 HIS 28 -5.947 4.328 -9.063
205 H GLU 29 HN GLU 29 -8.782 4.865 -3.803
206 HA GLU 29 HA GLU 29 -8.212 2.116 -2.924
207 HB2 GLU 29 HB2 GLU 29 -6.232 4.394 -2.941
208 HB3 GLU 29 HB3 GLU 29 -5.925 2.745 -2.427
209 HG2 GLU 29 HG2 GLU 29 -6.099 1.937 -4.660
210 HG3 GLU 29 HG3 GLU 29 -6.694 3.496 -5.236
211 H TYR 30 HN TYR 30 -7.108 2.282 -0.658
212 HA TYR 30 HA TYR 30 -8.015 4.548 0.923
213 HB2 TYR 30 HB2 TYR 30 -9.189 3.181 2.554
214 HB3 TYR 30 HB3 TYR 30 -9.910 2.952 0.968
215 HD1 TYR 30 HD1 TYR 30 -7.908 1.400 3.615
216 HD2 TYR 30 HD2 TYR 30 -9.783 0.802 -0.162
217 HE1 TYR 30 HE1 TYR 30 -7.660 -1.016 3.893
218 HE2 TYR 30 HE2 TYR 30 -9.552 -1.646 0.097
219 HH TYR 30 HH TYR 30 -8.564 -3.039 3.131
220 H THR 31 HN THR 31 -7.026 4.567 3.076
221 HA THR 31 HA THR 31 -4.312 3.569 2.908
222 HB THR 31 HB THR 31 -5.573 5.226 5.104
223 HG1 THR 31 HG1 THR 31 -4.822 5.877 2.552
224 HG21 THR 31 HG21 THR 31 -3.521 4.165 5.810
225 HG22 THR 31 HG22 THR 31 -3.219 5.883 5.541
226 HG23 THR 31 HG23 THR 31 -2.701 4.698 4.343
227 H ASP 32 HN ASP 32 -4.059 1.486 3.466
228 HA ASP 32 HA ASP 32 -5.309 0.430 5.874
229 HB2 ASP 32 HB2 ASP 32 -4.898 -0.985 3.835
230 HB3 ASP 32 HB3 ASP 32 -3.194 -0.834 4.139
231 H TRP 33 HN TRP 33 -4.391 0.553 7.830
232 HA TRP 33 HA TRP 33 -1.827 1.893 8.006
233 HB2 TRP 33 HB2 TRP 33 -4.072 1.397 9.942
234 HB3 TRP 33 HB3 TRP 33 -2.509 2.021 10.469
235 HD1 TRP 33 HD1 TRP 33 -5.707 3.130 8.829
236 HE1 TRP 33 HE1 TRP 33 -5.532 5.606 8.177
237 HE3 TRP 33 HE3 TRP 33 -0.727 3.793 9.636
238 HZ2 TRP 33 HZ2 TRP 33 -3.515 7.580 7.994
239 HZ3 TRP 33 HZ3 TRP 33 0.262 5.991 9.178
240 HH2 TRP 33 HH2 TRP 33 -1.103 7.837 8.363
241 H PHE 34 HN PHE 34 -3.128 -1.247 8.380
242 HA PHE 34 HA PHE 34 -1.167 -2.358 10.107
243 HB2 PHE 34 HB2 PHE 34 -3.345 -3.448 9.475
244 HB3 PHE 34 HB3 PHE 34 -2.680 -3.725 7.862
245 HD1 PHE 34 HD1 PHE 34 -1.615 -5.713 7.421
246 HD2 PHE 34 HD2 PHE 34 -1.932 -4.391 11.452
247 HE1 PHE 34 HE1 PHE 34 -0.638 -7.837 8.189
248 HE2 PHE 34 HE2 PHE 34 -0.954 -6.510 12.228
249 HZ PHE 34 HZ PHE 34 -0.305 -8.238 10.597
250 H ASN 35 HN ASN 35 -1.568 -2.504 6.607
251 HA ASN 35 HA ASN 35 1.130 -3.395 6.214
252 HB2 ASN 35 HB2 ASN 35 -1.088 -2.609 4.336
253 HB3 ASN 35 HB3 ASN 35 0.511 -3.063 3.769
254 HD21 ASN 35 HD21 ASN 35 -2.411 -4.134 5.228
255 HD22 ASN 35 HD22 ASN 35 -2.119 -5.835 5.086
256 H ASN 36 HN ASN 36 -0.327 -0.377 6.691
257 HA ASN 36 HA ASN 36 1.430 1.289 5.256
258 HB2 ASN 36 HB2 ASN 36 -0.646 1.958 6.589
259 HB3 ASN 36 HB3 ASN 36 0.381 1.905 8.008
260 HD21 ASN 36 HD21 ASN 36 -1.083 4.029 6.610
261 HD22 ASN 36 HD22 ASN 36 0.070 5.285 6.367
262 H ASP 37 HN ASP 37 1.680 -0.458 8.256
263 HA ASP 37 HA ASP 37 4.126 0.585 9.161
264 HB2 ASP 37 HB2 ASP 37 2.890 -0.632 10.746
265 HB3 ASP 37 HB3 ASP 37 2.659 -1.989 9.651
266 H VAL 38 HN VAL 38 3.358 -2.227 7.104
267 HA VAL 38 HA VAL 38 6.079 -3.027 6.796
268 HB VAL 38 HB VAL 38 5.413 -4.525 5.116
269 HG11 VAL 38 HG11 VAL 38 3.092 -4.207 7.001
270 HG12 VAL 38 HG12 VAL 38 4.568 -5.126 7.294
271 HG13 VAL 38 HG13 VAL 38 3.440 -5.644 6.041
272 HG21 VAL 38 HG21 VAL 38 2.838 -3.003 4.737
273 HG22 VAL 38 HG22 VAL 38 3.352 -4.445 3.853
274 HG23 VAL 38 HG23 VAL 38 4.236 -2.928 3.661
275 H CYS 39 HN CYS 39 4.102 -0.706 5.241
276 HA CYS 39 HA CYS 39 5.654 -0.292 2.919
277 HB2 CYS 39 HB2 CYS 39 3.562 1.378 4.295
278 HB3 CYS 39 HB3 CYS 39 4.320 1.847 2.777
279 H GLY 40 HN GLY 40 6.039 0.821 6.175
280 HA2 GLY 40 HA2 GLY 40 7.870 1.958 7.053
281 HA3 GLY 40 HA1 GLY 40 8.500 2.119 5.426
282 H SER 41 HN SER 41 8.290 3.999 4.383
283 HA SER 41 HA SER 41 7.233 6.224 5.923
284 HB2 SER 41 HB2 SER 41 9.437 6.407 4.879
285 HB3 SER 41 HB3 SER 41 8.724 6.140 3.291
286 HG SER 41 HG SER 41 8.347 8.198 3.216
287 H TYR 42 HN TYR 42 6.393 4.299 3.185
288 HA TYR 42 HA TYR 42 4.331 6.142 2.283
289 HB2 TYR 42 HB2 TYR 42 5.345 3.488 1.342
290 HB3 TYR 42 HB3 TYR 42 3.768 4.058 0.812
291 HD1 TYR 42 HD1 TYR 42 5.442 3.534 -1.289
292 HD2 TYR 42 HD2 TYR 42 5.519 6.990 1.183
293 HE1 TYR 42 HE1 TYR 42 6.495 4.791 -3.094
294 HE2 TYR 42 HE2 TYR 42 6.571 8.264 -0.616
295 HH TYR 42 HH TYR 42 7.902 7.875 -2.615
296 H ARG 43 HN ARG 43 2.171 5.130 1.836
297 HA ARG 43 HA ARG 43 1.290 3.640 4.214
298 HB2 ARG 43 HB2 ARG 43 -0.795 4.888 4.086
299 HB3 ARG 43 HB3 ARG 43 0.559 6.001 4.191
300 HG2 ARG 43 HG2 ARG 43 0.353 5.941 1.561
301 HG3 ARG 43 HG3 ARG 43 -1.306 5.488 1.956
302 HD2 ARG 43 HD2 ARG 43 -1.161 7.873 1.690
303 HD3 ARG 43 HD3 ARG 43 -1.492 7.479 3.375
304 HE ARG 43 HE ARG 43 1.305 7.905 2.701
305 HH11 ARG 43 HH11 ARG 43 -1.677 9.284 3.880
306 HH12 ARG 43 HH12 ARG 43 -0.907 10.618 4.669
307 HH21 ARG 43 HH21 ARG 43 2.333 9.659 3.752
308 HH22 ARG 43 HH22 ARG 43 1.381 10.826 4.606
309 H CYS 44 HN CYS 44 -0.305 2.013 3.855
310 HA CYS 44 HA CYS 44 -0.000 0.827 1.252
311 HB2 CYS 44 HB2 CYS 44 0.046 -0.603 3.209
312 HB3 CYS 44 HB3 CYS 44 -1.560 -0.117 3.657
313 H CYS 45 HN CYS 45 -1.044 2.091 -0.191
314 HA CYS 45 HA CYS 45 -3.820 2.768 0.128
315 HB2 CYS 45 HB2 CYS 45 -1.988 2.924 -2.275
316 HB3 CYS 45 HB3 CYS 45 -3.606 3.623 -2.184
317 H ARG 46 HN ARG 46 -4.651 0.712 0.544
318 HA ARG 46 HA ARG 46 -4.462 -1.441 -1.305
319 HB2 ARG 46 HB2 ARG 46 -6.496 -0.890 0.863
320 HB3 ARG 46 HB3 ARG 46 -6.329 -2.412 0.001
321 HG2 ARG 46 HG2 ARG 46 -4.023 -2.599 0.900
322 HG3 ARG 46 HG3 ARG 46 -4.320 -1.144 1.850
323 HD2 ARG 46 HD2 ARG 46 -4.721 -2.939 3.312
324 HD3 ARG 46 HD3 ARG 46 -6.317 -2.369 2.826
325 HE ARG 46 HE ARG 46 -5.681 -4.400 1.086
326 HH11 ARG 46 HH11 ARG 46 -5.966 -4.023 4.557
327 HH12 ARG 46 HH12 ARG 46 -6.552 -5.635 4.820
328 HH21 ARG 46 HH21 ARG 46 -6.469 -6.549 1.438
329 HH22 ARG 46 HH22 ARG 46 -6.840 -7.071 3.045
330 HA PRO 47 HA PRO 47 -7.368 -0.059 -4.422
331 HB2 PRO 47 HB2 PRO 47 -7.787 -3.014 -4.527
332 HB3 PRO 47 HB3 PRO 47 -7.512 -1.877 -5.850
333 HG2 PRO 47 HG2 PRO 47 -5.565 -3.492 -5.008
334 HG3 PRO 47 HG3 PRO 47 -5.219 -1.825 -5.500
335 HD2 PRO 47 HD2 PRO 47 -5.345 -3.011 -2.773
336 HD3 PRO 47 HD3 PRO 47 -4.331 -1.690 -3.385
337 H GLY 48 HN GLY 48 -9.399 0.587 -3.993
338 HA2 GLY 48 HA2 GLY 48 -10.787 -0.358 -1.693
339 HA3 GLY 48 HA1 GLY 48 -11.408 0.780 -2.877
340 H ARG 49 HN ARG 49 -10.291 -2.315 -3.880
341 HA ARG 49 HA ARG 49 -12.809 -3.646 -3.602
342 HB2 ARG 49 HB2 ARG 49 -13.056 -4.160 -6.017
343 HB3 ARG 49 HB3 ARG 49 -13.270 -2.455 -5.672
344 HG2 ARG 49 HG2 ARG 49 -10.614 -3.478 -6.552
345 HG3 ARG 49 HG3 ARG 49 -11.897 -3.178 -7.723
346 HD2 ARG 49 HD2 ARG 49 -12.071 -0.857 -6.827
347 HD3 ARG 49 HD3 ARG 49 -10.660 -1.193 -5.824
348 HE ARG 49 HE ARG 49 -9.508 -1.664 -8.034
349 HH11 ARG 49 HH11 ARG 49 -12.125 0.650 -7.703
350 HH12 ARG 49 HH12 ARG 49 -11.632 1.590 -9.076
351 HH21 ARG 49 HH21 ARG 49 -8.841 -0.406 -9.814
352 HH22 ARG 49 HH22 ARG 49 -9.751 1.004 -10.258
353 H AAR 50 HN AAR 50 -10.029 -3.861 -2.774
354 HA AAR 50 HA AAR 50 -8.534 -5.699 -4.143
355 HB2 AAR 50 HB2 AAR 50 -7.216 -5.942 -2.211
356 HB3 AAR 50 HB3 AAR 50 -7.813 -4.295 -2.195
357 HG2 AAR 50 HG2 AAR 50 -8.936 -6.564 -0.563
358 HG3 AAR 50 HG3 AAR 50 -7.810 -5.345 0.025
359 HD2 AAR 50 HD2 AAR 50 -9.561 -3.630 -0.652
360 HD3 AAR 50 HD3 AAR 50 -10.666 -4.991 -0.831
361 HE AAR 50 HE AAR 50 -9.340 -4.197 1.685
362 HH11 AAR 50 HH21 AAR 50 -10.524 -4.657 3.581
363 HH12 AAR 50 HH22 AAR 50 -12.071 -5.431 3.467
364 HH21 AAR 50 HH11 AAR 50 -12.029 -5.683 -0.017
365 HH22 AAR 50 HH12 AAR 50 -12.923 -6.008 1.429
366 HNT1 AAR 50 HNT1 AAR 50 -11.250 -6.261 -1.986
367 HNT2 AAR 50 HNT2 AAR 50 -11.255 -7.998 -2.115
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