Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639774 | 6d3t RC | 30454 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 12.798 29.410 15.230
2 H2 ALA 1 H2 ALA 1 12.138 30.536 16.230
3 H3 ALA 1 H3 ALA 1 11.230 29.262 15.713
4 HA ALA 1 HA ALA 1 12.088 29.174 18.061
5 HB1 ALA 1 HB1 ALA 1 11.147 27.186 17.020
6 HB2 ALA 1 HB2 ALA 1 12.663 26.883 16.138
7 HB3 ALA 1 HB3 ALA 1 12.622 26.751 17.906
8 H PHE 2 H PHE 2 13.836 30.131 19.019
9 HA PHE 2 HA PHE 2 16.449 30.200 17.766
10 HB2 PHE 2 HB2 PHE 2 15.708 30.850 20.636
11 HB3 PHE 2 HB3 PHE 2 17.110 31.424 19.747
12 HD1 PHE 2 HD1 PHE 2 14.083 32.490 21.007
13 HD2 PHE 2 HD2 PHE 2 16.291 32.551 17.297
14 HE1 PHE 2 HE1 PHE 2 12.770 34.454 20.252
15 HE2 PHE 2 HE2 PHE 2 14.960 34.497 16.539
16 HZ PHE 2 HZ PHE 2 13.196 35.456 18.015
17 H CYS 3 H CYS 3 18.289 28.918 18.122
18 HA CYS 3 HA CYS 3 18.015 26.496 19.647
19 HB2 CYS 3 HB2 CYS 3 20.370 26.118 18.969
20 HB3 CYS 3 HB3 CYS 3 19.358 26.592 17.605
21 H ASN 4 H ASN 4 18.184 29.284 20.941
22 HA ASN 4 HA ASN 4 19.085 30.377 22.755
23 HB2 ASN 4 HB2 ASN 4 18.160 27.747 23.844
24 HB3 ASN 4 HB3 ASN 4 18.543 29.160 24.837
25 HD21 ASN 4 HD21 ASN 4 14.935 29.008 23.314
26 HD22 ASN 4 HD22 ASN 4 16.005 27.637 23.622
27 H LEU 5 H LEU 5 21.297 30.294 21.695
28 HA LEU 5 HA LEU 5 23.282 28.433 22.433
29 HB2 LEU 5 HB2 LEU 5 23.466 29.917 20.512
30 HB3 LEU 5 HB3 LEU 5 23.504 31.332 21.561
31 HG LEU 5 HG LEU 5 25.695 30.648 22.477
32 HD11 LEU 5 HD11 LEU 5 26.972 28.840 21.333
33 HD12 LEU 5 HD12 LEU 5 25.594 28.204 22.229
34 HD13 LEU 5 HD13 LEU 5 25.495 28.375 20.459
35 HD21 LEU 5 HD21 LEU 5 27.004 31.082 20.444
36 HD22 LEU 5 HD22 LEU 5 25.592 30.704 19.432
37 HD23 LEU 5 HD23 LEU 5 25.572 32.120 20.504
38 H ARG 6 H ARG 6 22.329 31.428 24.180
39 HA ARG 6 HA ARG 6 24.607 31.265 26.011
40 HB2 ARG 6 HB2 ARG 6 22.013 32.825 26.345
41 HB3 ARG 6 HB3 ARG 6 23.500 33.014 27.286
42 HG2 ARG 6 HG2 ARG 6 24.675 33.443 25.029
43 HG3 ARG 6 HG3 ARG 6 23.063 33.606 24.334
44 HD2 ARG 6 HD2 ARG 6 22.555 35.449 25.841
45 HD3 ARG 6 HD3 ARG 6 24.125 35.271 26.658
46 HE ARG 6 HE ARG 6 24.872 35.505 24.061
47 HH11 ARG 6 HH11 ARG 6 22.703 37.683 25.842
48 HH12 ARG 6 HH12 ARG 6 23.031 38.958 24.696
49 HH21 ARG 6 HH21 ARG 6 25.193 37.104 22.779
50 HH22 ARG 6 HH22 ARG 6 24.474 38.686 23.090
51 H ARG 7 H ARG 7 21.509 29.711 25.955
52 HA ARG 7 HA ARG 7 21.765 28.656 28.718
53 HB2 ARG 7 HB2 ARG 7 19.850 27.725 26.556
54 HB3 ARG 7 HB3 ARG 7 19.762 27.410 28.291
55 HG2 ARG 7 HG2 ARG 7 19.492 29.927 28.621
56 HG3 ARG 7 HG3 ARG 7 19.401 30.050 26.851
57 HD2 ARG 7 HD2 ARG 7 17.461 28.385 26.969
58 HD3 ARG 7 HD3 ARG 7 17.459 28.688 28.719
59 HE ARG 7 HE ARG 7 17.414 31.182 27.257
60 HH11 ARG 7 HH11 ARG 7 15.216 28.554 28.202
61 HH12 ARG 7 HH12 ARG 7 13.826 29.617 27.950
62 HH21 ARG 7 HH21 ARG 7 15.521 32.329 26.910
63 HH22 ARG 7 HH22 ARG 7 13.977 31.549 27.326
64 H CYS 8 H CYS 8 22.575 27.687 25.450
65 HA CYS 8 HA CYS 8 23.182 24.927 25.926
66 HB2 CYS 8 HB2 CYS 8 22.774 25.935 23.704
67 HB3 CYS 8 HB3 CYS 8 24.242 26.891 23.862
68 H GLU 9 H GLU 9 25.289 27.850 25.871
69 HA GLU 9 HA GLU 9 27.759 26.693 26.476
70 HB2 GLU 9 HB2 GLU 9 26.474 29.337 27.213
71 HB3 GLU 9 HB3 GLU 9 28.117 28.984 27.723
72 HG2 GLU 9 HG2 GLU 9 27.344 28.676 24.801
73 HG3 GLU 9 HG3 GLU 9 27.683 30.262 25.488
74 H LEU 10 H LEU 10 25.148 27.413 28.850
75 HA LEU 10 HA LEU 10 26.536 26.945 31.251
76 HB2 LEU 10 HB2 LEU 10 23.657 26.218 30.862
77 HB3 LEU 10 HB3 LEU 10 24.508 26.929 32.208
78 HG LEU 10 HG LEU 10 23.714 28.204 29.696
79 HD11 LEU 10 HD11 LEU 10 22.305 29.586 31.206
80 HD12 LEU 10 HD12 LEU 10 21.996 27.845 31.432
81 HD13 LEU 10 HD13 LEU 10 23.025 28.724 32.587
82 HD21 LEU 10 HD21 LEU 10 24.532 30.392 30.784
83 HD22 LEU 10 HD22 LEU 10 25.307 29.410 32.035
84 HD23 LEU 10 HD23 LEU 10 25.858 29.311 30.352
85 H SER 11 H SER 11 24.608 24.896 29.158
86 HA SER 11 HA SER 11 24.535 22.521 30.731
87 HB2 SER 11 HB2 SER 11 22.922 23.406 29.049
88 HB3 SER 11 HB3 SER 11 24.070 23.045 27.769
89 HG SER 11 HG SER 11 22.513 21.424 28.043
90 H CYS 12 H CYS 12 26.608 23.576 28.029
91 HA CYS 12 HA CYS 12 28.221 21.156 28.003
92 HB2 CYS 12 HB2 CYS 12 28.761 23.926 26.876
93 HB3 CYS 12 HB3 CYS 12 29.601 22.435 26.431
94 H ARG 13 H ARG 13 28.499 24.315 29.691
95 HA ARG 13 HA ARG 13 31.086 23.846 30.748
96 HB2 ARG 13 HB2 ARG 13 29.727 26.023 30.719
97 HB3 ARG 13 HB3 ARG 13 28.877 25.431 32.137
98 HG2 ARG 13 HG2 ARG 13 30.738 27.026 32.615
99 HG3 ARG 13 HG3 ARG 13 30.905 25.487 33.451
100 HD2 ARG 13 HD2 ARG 13 33.053 26.356 32.498
101 HD3 ARG 13 HD3 ARG 13 32.625 24.746 31.938
102 HE ARG 13 HE ARG 13 31.645 26.809 30.123
103 HH11 ARG 13 HH11 ARG 13 34.563 24.918 30.816
104 HH12 ARG 13 HH12 ARG 13 35.123 25.204 29.165
105 HH21 ARG 13 HH21 ARG 13 32.442 26.999 28.156
106 HH22 ARG 13 HH22 ARG 13 34.039 26.334 27.775
107 H SER 14 H SER 14 28.017 22.507 31.783
108 HA SER 14 HA SER 14 28.875 21.378 34.276
109 HB2 SER 14 HB2 SER 14 26.851 20.349 32.243
110 HB3 SER 14 HB3 SER 14 27.052 19.747 33.889
111 HG SER 14 HG SER 14 25.441 21.236 33.909
112 H LEU 15 H LEU 15 29.399 20.269 30.921
113 HA LEU 15 HA LEU 15 30.716 17.767 31.735
114 HB2 LEU 15 HB2 LEU 15 31.028 19.217 29.092
115 HB3 LEU 15 HB3 LEU 15 31.309 17.518 29.440
116 HG LEU 15 HG LEU 15 28.647 18.953 29.241
117 HD11 LEU 15 HD11 LEU 15 29.933 16.816 27.508
118 HD12 LEU 15 HD12 LEU 15 28.305 17.497 27.299
119 HD13 LEU 15 HD13 LEU 15 29.717 18.539 27.107
120 HD21 LEU 15 HD21 LEU 15 29.275 16.022 29.870
121 HD22 LEU 15 HD22 LEU 15 28.450 17.170 30.949
122 HD23 LEU 15 HD23 LEU 15 27.660 16.633 29.461
123 H GLY 16 H GLY 16 31.594 21.046 30.805
124 HA2 GLY 16 HA2 GLY 16 33.543 22.094 31.921
125 HA3 GLY 16 HA3 GLY 16 34.462 20.626 31.579
126 H LEU 17 H LEU 17 32.290 21.848 29.086
127 HA LEU 17 HA LEU 17 34.549 23.014 27.553
128 HB2 LEU 17 HB2 LEU 17 33.693 21.587 25.582
129 HB3 LEU 17 HB3 LEU 17 34.826 20.906 26.719
130 HG LEU 17 HG LEU 17 31.970 20.387 27.408
131 HD11 LEU 17 HD11 LEU 17 31.554 18.730 25.750
132 HD12 LEU 17 HD12 LEU 17 31.891 20.277 24.942
133 HD13 LEU 17 HD13 LEU 17 33.132 19.008 24.979
134 HD21 LEU 17 HD21 LEU 17 32.884 18.070 27.678
135 HD22 LEU 17 HD22 LEU 17 34.400 18.598 26.940
136 HD23 LEU 17 HD23 LEU 17 33.919 19.244 28.525
137 H LEU 18 H LEU 18 33.713 23.804 25.335
138 HA LEU 18 HA LEU 18 31.676 25.773 26.030
139 HB2 LEU 18 HB2 LEU 18 32.323 26.965 24.125
140 HB3 LEU 18 HB3 LEU 18 33.785 26.321 24.846
141 HG LEU 18 HG LEU 18 33.419 24.393 23.013
142 HD11 LEU 18 HD11 LEU 18 32.031 26.834 21.797
143 HD12 LEU 18 HD12 LEU 18 32.623 25.446 20.869
144 HD13 LEU 18 HD13 LEU 18 31.327 25.219 22.026
145 HD21 LEU 18 HD21 LEU 18 35.378 25.895 23.194
146 HD22 LEU 18 HD22 LEU 18 34.900 25.654 21.509
147 HD23 LEU 18 HD23 LEU 18 34.480 27.169 22.344
148 H GLY 19 H GLY 19 29.864 26.301 24.829
149 HA2 GLY 19 HA2 GLY 19 28.508 24.023 23.425
150 HA3 GLY 19 HA3 GLY 19 27.691 25.381 24.180
151 H LYS 20 H LYS 20 27.983 24.122 21.358
152 HA LYS 20 HA LYS 20 28.292 26.656 19.786
153 HB2 LYS 20 HB2 LYS 20 30.133 25.021 19.370
154 HB3 LYS 20 HB3 LYS 20 28.934 23.782 18.987
155 HG2 LYS 20 HG2 LYS 20 28.131 25.305 17.092
156 HG3 LYS 20 HG3 LYS 20 29.534 26.321 17.406
157 HD2 LYS 20 HD2 LYS 20 29.608 23.355 16.687
158 HD3 LYS 20 HD3 LYS 20 29.761 24.646 15.509
159 HE2 LYS 20 HE2 LYS 20 31.717 24.330 17.829
160 HE3 LYS 20 HE3 LYS 20 31.896 23.474 16.294
161 HZ1 LYS 20 HZ1 LYS 20 31.917 25.649 15.159
162 HZ2 LYS 20 HZ2 LYS 20 31.903 26.418 16.620
163 HZ3 LYS 20 HZ3 LYS 20 33.161 25.449 16.185
164 H CYS 21 H CYS 21 26.504 27.236 18.637
165 HA CYS 21 HA CYS 21 24.248 25.284 18.379
166 HB2 CYS 21 HB2 CYS 21 23.471 27.335 19.219
167 HB3 CYS 21 HB3 CYS 21 24.388 28.284 18.045
168 H ILE 22 H ILE 22 24.231 24.066 16.643
169 HA ILE 22 HA ILE 22 24.963 25.110 13.992
170 HB ILE 22 HB ILE 22 27.013 24.231 14.944
171 HG12 ILE 22 HG12 ILE 22 25.922 22.309 12.841
172 HG13 ILE 22 HG13 ILE 22 26.468 23.966 12.524
173 HG21 ILE 22 HG21 ILE 22 27.365 21.962 15.666
174 HG22 ILE 22 HG22 ILE 22 26.014 22.597 16.593
175 HG23 ILE 22 HG23 ILE 22 25.712 21.504 15.225
176 HD11 ILE 22 HD11 ILE 22 28.702 23.367 13.494
177 HD12 ILE 22 HD12 ILE 22 28.156 21.675 13.576
178 HD13 ILE 22 HD13 ILE 22 28.283 22.486 12.001
179 H GLY 23 H GLY 23 23.670 24.324 12.421
180 HA2 GLY 23 HA2 GLY 23 21.837 23.355 11.459
181 HA3 GLY 23 HA3 GLY 23 22.259 21.876 12.327
182 H GLU 24 H GLU 24 21.194 25.054 13.616
183 HA GLU 24 HA GLU 24 19.546 25.692 15.007
184 HB2 GLU 24 HB2 GLU 24 17.656 23.597 14.017
185 HB3 GLU 24 HB3 GLU 24 17.361 25.272 14.446
186 HG2 GLU 24 HG2 GLU 24 18.561 24.156 11.889
187 HG3 GLU 24 HG3 GLU 24 17.025 24.966 12.094
188 H GLU 25 H GLU 25 21.307 23.361 15.949
189 HA GLU 25 HA GLU 25 19.763 22.912 18.441
190 HB2 GLU 25 HB2 GLU 25 19.294 20.933 17.226
191 HB3 GLU 25 HB3 GLU 25 20.969 20.716 16.731
192 HG2 GLU 25 HG2 GLU 25 21.669 20.046 18.879
193 HG3 GLU 25 HG3 GLU 25 20.252 20.746 19.667
194 H CYS 26 H CYS 26 20.856 22.945 20.271
195 HA CYS 26 HA CYS 26 23.592 23.804 20.521
196 HB2 CYS 26 HB2 CYS 26 21.937 24.278 22.232
197 HB3 CYS 26 HB3 CYS 26 21.538 22.572 22.375
198 H LYS 27 H LYS 27 25.425 22.629 20.337
199 HA LYS 27 HA LYS 27 25.529 19.909 21.518
200 HB2 LYS 27 HB2 LYS 27 25.264 19.847 19.020
201 HB3 LYS 27 HB3 LYS 27 26.777 20.760 18.883
202 HG2 LYS 27 HG2 LYS 27 28.005 18.868 19.993
203 HG3 LYS 27 HG3 LYS 27 26.455 18.017 20.176
204 HD2 LYS 27 HD2 LYS 27 27.425 17.100 18.211
205 HD3 LYS 27 HD3 LYS 27 26.161 18.231 17.661
206 HE2 LYS 27 HE2 LYS 27 27.955 19.984 17.358
207 HE3 LYS 27 HE3 LYS 27 29.158 18.786 17.787
208 HZ1 LYS 27 HZ1 LYS 27 28.495 17.474 15.864
209 HZ2 LYS 27 HZ2 LYS 27 27.306 18.611 15.469
210 HZ3 LYS 27 HZ3 LYS 27 28.894 18.952 15.400
211 H CYS 28 H CYS 28 27.398 19.470 22.628
212 HA CYS 28 HA CYS 28 29.166 21.765 23.193
213 HB2 CYS 28 HB2 CYS 28 29.123 19.058 24.540
214 HB3 CYS 28 HB3 CYS 28 29.778 20.572 25.150
215 H VAL 29 H VAL 29 31.453 21.782 22.946
216 HA VAL 29 HA VAL 29 32.678 19.410 21.641
217 HB VAL 29 HB VAL 29 33.885 20.822 20.021
218 HG11 VAL 29 HG11 VAL 29 30.868 20.874 19.667
219 HG12 VAL 29 HG12 VAL 29 32.103 20.919 18.393
220 HG13 VAL 29 HG13 VAL 29 31.912 19.462 19.380
221 HG21 VAL 29 HG21 VAL 29 33.603 23.059 20.973
222 HG22 VAL 29 HG22 VAL 29 32.919 22.987 19.347
223 HG23 VAL 29 HG23 VAL 29 31.839 22.954 20.753
224 H TYR 30 H TYR 30 34.447 18.759 22.411
225 HA TYR 30 HA TYR 30 35.847 19.840 24.604
226 HB2 TYR 30 HB2 TYR 30 36.538 17.730 22.531
227 HB3 TYR 30 HB3 TYR 30 37.620 18.139 23.846
228 HD1 TYR 30 HD1 TYR 30 37.218 17.501 26.119
229 HD2 TYR 30 HD2 TYR 30 34.305 16.649 23.057
230 HE1 TYR 30 HE1 TYR 30 35.998 15.972 27.688
231 HE2 TYR 30 HE2 TYR 30 33.062 15.186 24.643
232 HH TYR 30 HH TYR 30 32.897 14.458 26.810
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 12.134 30.535 15.736
2 H2 ALA 1 H2 ALA 1 11.000 30.582 16.930
3 H3 ALA 1 H3 ALA 1 12.056 29.313 16.842
4 HA ALA 1 HA ALA 1 12.742 32.110 17.405
5 HB1 ALA 1 HB1 ALA 1 13.329 31.280 19.678
6 HB2 ALA 1 HB2 ALA 1 11.614 31.090 19.311
7 HB3 ALA 1 HB3 ALA 1 12.699 29.685 19.256
8 H PHE 2 H PHE 2 14.998 32.313 18.273
9 HA PHE 2 HA PHE 2 16.948 30.988 16.543
10 HB2 PHE 2 HB2 PHE 2 17.344 32.753 18.984
11 HB3 PHE 2 HB3 PHE 2 18.569 32.337 17.791
12 HD1 PHE 2 HD1 PHE 2 16.316 34.846 18.799
13 HD2 PHE 2 HD2 PHE 2 17.914 32.977 15.252
14 HE1 PHE 2 HE1 PHE 2 15.711 36.847 17.469
15 HE2 PHE 2 HE2 PHE 2 17.335 34.998 13.935
16 HZ PHE 2 HZ PHE 2 16.213 36.930 15.042
17 H CYS 3 H CYS 3 18.835 29.804 17.414
18 HA CYS 3 HA CYS 3 18.058 27.733 19.268
19 HB2 CYS 3 HB2 CYS 3 20.311 26.857 18.920
20 HB3 CYS 3 HB3 CYS 3 19.495 27.240 17.427
21 H ASN 4 H ASN 4 18.515 27.417 21.357
22 HA ASN 4 HA ASN 4 19.057 29.732 23.033
23 HB2 ASN 4 HB2 ASN 4 18.298 26.840 23.633
24 HB3 ASN 4 HB3 ASN 4 18.536 28.073 24.867
25 HD21 ASN 4 HD21 ASN 4 15.161 28.285 22.573
26 HD22 ASN 4 HD22 ASN 4 16.465 27.178 22.100
27 H LEU 5 H LEU 5 21.275 29.762 21.887
28 HA LEU 5 HA LEU 5 23.345 27.976 22.509
29 HB2 LEU 5 HB2 LEU 5 23.423 29.589 20.684
30 HB3 LEU 5 HB3 LEU 5 23.406 30.938 21.827
31 HG LEU 5 HG LEU 5 25.643 30.288 22.662
32 HD11 LEU 5 HD11 LEU 5 25.648 27.863 22.273
33 HD12 LEU 5 HD12 LEU 5 25.529 28.132 20.515
34 HD13 LEU 5 HD13 LEU 5 26.987 28.615 21.401
35 HD21 LEU 5 HD21 LEU 5 26.909 30.913 20.659
36 HD22 LEU 5 HD22 LEU 5 25.515 30.517 19.634
37 HD23 LEU 5 HD23 LEU 5 25.419 31.871 20.781
38 H ARG 6 H ARG 6 22.327 30.861 24.435
39 HA ARG 6 HA ARG 6 24.536 30.723 26.299
40 HB2 ARG 6 HB2 ARG 6 23.077 32.694 25.917
41 HB3 ARG 6 HB3 ARG 6 21.804 31.882 26.843
42 HG2 ARG 6 HG2 ARG 6 23.315 31.704 28.789
43 HG3 ARG 6 HG3 ARG 6 24.631 32.465 27.882
44 HD2 ARG 6 HD2 ARG 6 21.933 33.773 28.285
45 HD3 ARG 6 HD3 ARG 6 23.241 33.911 29.472
46 HE ARG 6 HE ARG 6 24.515 34.709 27.213
47 HH11 ARG 6 HH11 ARG 6 21.632 35.904 28.891
48 HH12 ARG 6 HH12 ARG 6 21.929 37.530 28.312
49 HH21 ARG 6 HH21 ARG 6 24.569 36.829 26.347
50 HH22 ARG 6 HH22 ARG 6 23.424 37.996 26.984
51 H ARG 7 H ARG 7 21.220 29.331 26.564
52 HA ARG 7 HA ARG 7 21.770 27.948 29.073
53 HB2 ARG 7 HB2 ARG 7 19.664 27.467 26.920
54 HB3 ARG 7 HB3 ARG 7 19.765 26.558 28.438
55 HG2 ARG 7 HG2 ARG 7 19.602 28.711 29.710
56 HG3 ARG 7 HG3 ARG 7 19.318 29.559 28.179
57 HD2 ARG 7 HD2 ARG 7 17.288 28.182 27.793
58 HD3 ARG 7 HD3 ARG 7 17.607 27.308 29.311
59 HE ARG 7 HE ARG 7 17.575 30.037 29.964
60 HH11 ARG 7 HH11 ARG 7 15.142 27.647 29.117
61 HH12 ARG 7 HH12 ARG 7 13.863 28.681 29.712
62 HH21 ARG 7 HH21 ARG 7 15.979 31.177 30.739
63 HH22 ARG 7 HH22 ARG 7 14.312 30.671 30.510
64 H CYS 8 H CYS 8 22.246 27.024 25.701
65 HA CYS 8 HA CYS 8 23.030 24.296 26.203
66 HB2 CYS 8 HB2 CYS 8 22.432 25.071 23.996
67 HB3 CYS 8 HB3 CYS 8 23.680 26.307 24.037
68 H GLU 9 H GLU 9 25.069 27.379 25.927
69 HA GLU 9 HA GLU 9 27.544 26.129 26.250
70 HB2 GLU 9 HB2 GLU 9 27.273 28.203 25.160
71 HB3 GLU 9 HB3 GLU 9 26.203 28.831 26.402
72 HG2 GLU 9 HG2 GLU 9 28.118 30.029 26.497
73 HG3 GLU 9 HG3 GLU 9 27.920 29.069 27.957
74 H LEU 10 H LEU 10 25.292 27.589 28.670
75 HA LEU 10 HA LEU 10 27.146 27.110 30.855
76 HB2 LEU 10 HB2 LEU 10 25.587 27.948 32.292
77 HB3 LEU 10 HB3 LEU 10 25.269 28.777 30.772
78 HG LEU 10 HG LEU 10 23.406 26.931 30.492
79 HD11 LEU 10 HD11 LEU 10 24.016 25.617 32.543
80 HD12 LEU 10 HD12 LEU 10 23.692 27.051 33.526
81 HD13 LEU 10 HD13 LEU 10 22.376 26.268 32.624
82 HD21 LEU 10 HD21 LEU 10 22.988 29.350 30.708
83 HD22 LEU 10 HD22 LEU 10 21.802 28.412 31.633
84 HD23 LEU 10 HD23 LEU 10 23.140 29.223 32.473
85 H SER 11 H SER 11 24.568 25.123 29.429
86 HA SER 11 HA SER 11 24.802 22.936 31.286
87 HB2 SER 11 HB2 SER 11 22.952 23.374 29.582
88 HB3 SER 11 HB3 SER 11 24.060 22.730 28.354
89 HG SER 11 HG SER 11 22.837 21.488 30.563
90 H CYS 12 H CYS 12 26.632 23.749 28.328
91 HA CYS 12 HA CYS 12 28.281 21.368 28.415
92 HB2 CYS 12 HB2 CYS 12 28.812 24.002 27.027
93 HB3 CYS 12 HB3 CYS 12 29.550 22.438 26.662
94 H ARG 13 H ARG 13 28.601 24.641 29.800
95 HA ARG 13 HA ARG 13 31.250 24.504 30.816
96 HB2 ARG 13 HB2 ARG 13 29.474 26.445 30.840
97 HB3 ARG 13 HB3 ARG 13 28.916 25.724 32.334
98 HG2 ARG 13 HG2 ARG 13 30.329 27.423 33.030
99 HG3 ARG 13 HG3 ARG 13 31.293 25.967 33.241
100 HD2 ARG 13 HD2 ARG 13 32.633 27.806 32.293
101 HD3 ARG 13 HD3 ARG 13 32.528 26.457 31.163
102 HE ARG 13 HE ARG 13 31.341 27.752 29.665
103 HH11 ARG 13 HH11 ARG 13 31.290 29.599 32.723
104 HH12 ARG 13 HH12 ARG 13 30.625 30.984 31.873
105 HH21 ARG 13 HH21 ARG 13 30.484 29.658 28.818
106 HH22 ARG 13 HH22 ARG 13 30.123 30.983 29.938
107 H SER 14 H SER 14 28.206 23.291 32.247
108 HA SER 14 HA SER 14 29.269 22.121 34.576
109 HB2 SER 14 HB2 SER 14 26.938 21.165 32.881
110 HB3 SER 14 HB3 SER 14 27.255 20.718 34.576
111 HG SER 14 HG SER 14 25.759 22.592 34.034
112 H LEU 15 H LEU 15 29.584 20.928 31.250
113 HA LEU 15 HA LEU 15 30.682 18.322 32.148
114 HB2 LEU 15 HB2 LEU 15 30.781 19.399 29.334
115 HB3 LEU 15 HB3 LEU 15 30.834 17.728 29.874
116 HG LEU 15 HG LEU 15 28.461 19.586 29.723
117 HD11 LEU 15 HD11 LEU 15 29.205 18.619 27.603
118 HD12 LEU 15 HD12 LEU 15 29.064 16.985 28.293
119 HD13 LEU 15 HD13 LEU 15 27.618 17.994 28.079
120 HD21 LEU 15 HD21 LEU 15 28.564 16.700 30.753
121 HD22 LEU 15 HD22 LEU 15 28.151 18.127 31.725
122 HD23 LEU 15 HD23 LEU 15 27.074 17.605 30.427
123 H GLY 16 H GLY 16 31.837 21.504 31.639
124 HA2 GLY 16 HA2 GLY 16 34.024 22.327 31.846
125 HA3 GLY 16 HA3 GLY 16 34.685 20.699 31.686
126 H LEU 17 H LEU 17 32.356 22.106 29.319
127 HA LEU 17 HA LEU 17 34.518 22.875 27.491
128 HB2 LEU 17 HB2 LEU 17 33.549 21.375 25.658
129 HB3 LEU 17 HB3 LEU 17 34.621 20.669 26.837
130 HG LEU 17 HG LEU 17 31.764 20.455 27.625
131 HD11 LEU 17 HD11 LEU 17 31.113 18.794 26.071
132 HD12 LEU 17 HD12 LEU 17 31.585 20.261 25.175
133 HD13 LEU 17 HD13 LEU 17 32.682 18.867 25.214
134 HD21 LEU 17 HD21 LEU 17 32.453 18.092 28.001
135 HD22 LEU 17 HD22 LEU 17 33.967 18.406 27.135
136 HD23 LEU 17 HD23 LEU 17 33.669 19.187 28.695
137 H LEU 18 H LEU 18 33.661 23.561 25.290
138 HA LEU 18 HA LEU 18 31.729 25.708 25.751
139 HB2 LEU 18 HB2 LEU 18 33.509 24.773 23.514
140 HB3 LEU 18 HB3 LEU 18 32.242 25.925 23.143
141 HG LEU 18 HG LEU 18 34.135 26.500 25.425
142 HD11 LEU 18 HD11 LEU 18 35.578 25.957 23.498
143 HD12 LEU 18 HD12 LEU 18 34.656 27.101 22.490
144 HD13 LEU 18 HD13 LEU 18 35.623 27.693 23.872
145 HD21 LEU 18 HD21 LEU 18 32.185 27.972 25.119
146 HD22 LEU 18 HD22 LEU 18 33.682 28.840 24.761
147 HD23 LEU 18 HD23 LEU 18 32.653 28.271 23.431
148 H GLY 19 H GLY 19 29.785 26.026 24.806
149 HA2 GLY 19 HA2 GLY 19 28.432 23.739 23.406
150 HA3 GLY 19 HA3 GLY 19 27.629 25.133 24.123
151 H LYS 20 H LYS 20 27.813 23.881 21.281
152 HA LYS 20 HA LYS 20 28.206 26.443 19.791
153 HB2 LYS 20 HB2 LYS 20 30.231 24.917 19.649
154 HB3 LYS 20 HB3 LYS 20 29.205 23.737 18.825
155 HG2 LYS 20 HG2 LYS 20 28.680 25.519 17.094
156 HG3 LYS 20 HG3 LYS 20 29.845 26.580 17.890
157 HD2 LYS 20 HD2 LYS 20 30.473 23.849 16.682
158 HD3 LYS 20 HD3 LYS 20 30.729 25.405 15.876
159 HE2 LYS 20 HE2 LYS 20 32.355 26.087 17.578
160 HE3 LYS 20 HE3 LYS 20 32.088 24.590 18.479
161 HZ1 LYS 20 HZ1 LYS 20 33.141 24.707 15.698
162 HZ2 LYS 20 HZ2 LYS 20 34.052 24.424 17.039
163 HZ3 LYS 20 HZ3 LYS 20 32.927 23.344 16.581
164 H CYS 21 H CYS 21 26.548 26.963 18.583
165 HA CYS 21 HA CYS 21 24.376 25.023 17.997
166 HB2 CYS 21 HB2 CYS 21 23.666 27.087 18.965
167 HB3 CYS 21 HB3 CYS 21 24.603 28.030 17.802
168 H ILE 22 H ILE 22 24.381 23.938 16.177
169 HA ILE 22 HA ILE 22 25.085 25.251 13.611
170 HB ILE 22 HB ILE 22 26.274 22.589 14.483
171 HG12 ILE 22 HG12 ILE 22 27.567 25.170 13.478
172 HG13 ILE 22 HG13 ILE 22 27.567 24.595 15.148
173 HG21 ILE 22 HG21 ILE 22 27.105 22.332 12.173
174 HG22 ILE 22 HG22 ILE 22 25.368 22.354 12.183
175 HG23 ILE 22 HG23 ILE 22 26.253 23.816 11.683
176 HD11 ILE 22 HD11 ILE 22 28.870 22.607 14.492
177 HD12 ILE 22 HD12 ILE 22 28.990 23.250 12.833
178 HD13 ILE 22 HD13 ILE 22 29.708 24.138 14.175
179 H GLY 23 H GLY 23 23.526 24.813 12.092
180 HA2 GLY 23 HA2 GLY 23 21.682 23.829 11.108
181 HA3 GLY 23 HA3 GLY 23 22.030 22.354 12.024
182 H GLU 24 H GLU 24 21.202 25.631 13.206
183 HA GLU 24 HA GLU 24 19.620 26.403 14.628
184 HB2 GLU 24 HB2 GLU 24 17.667 24.301 13.720
185 HB3 GLU 24 HB3 GLU 24 17.353 25.961 14.172
186 HG2 GLU 24 HG2 GLU 24 18.624 24.973 11.581
187 HG3 GLU 24 HG3 GLU 24 16.996 25.573 11.812
188 H GLU 25 H GLU 25 21.098 23.701 15.523
189 HA GLU 25 HA GLU 25 19.772 23.772 18.162
190 HB2 GLU 25 HB2 GLU 25 19.633 21.379 18.364
191 HB3 GLU 25 HB3 GLU 25 18.669 21.959 17.021
192 HG2 GLU 25 HG2 GLU 25 20.598 21.254 15.477
193 HG3 GLU 25 HG3 GLU 25 21.319 20.465 16.884
194 H CYS 26 H CYS 26 21.046 23.060 19.917
195 HA CYS 26 HA CYS 26 23.924 23.497 19.316
196 HB2 CYS 26 HB2 CYS 26 22.649 25.270 20.405
197 HB3 CYS 26 HB3 CYS 26 22.367 24.214 21.783
198 H LYS 27 H LYS 27 25.547 22.489 20.125
199 HA LYS 27 HA LYS 27 25.197 19.991 21.743
200 HB2 LYS 27 HB2 LYS 27 25.080 19.574 19.279
201 HB3 LYS 27 HB3 LYS 27 26.653 20.354 19.094
202 HG2 LYS 27 HG2 LYS 27 27.661 18.572 20.540
203 HG3 LYS 27 HG3 LYS 27 26.090 17.751 20.569
204 HD2 LYS 27 HD2 LYS 27 27.701 18.429 18.060
205 HD3 LYS 27 HD3 LYS 27 27.713 16.862 18.879
206 HE2 LYS 27 HE2 LYS 27 25.330 16.541 18.429
207 HE3 LYS 27 HE3 LYS 27 25.214 18.136 17.674
208 HZ1 LYS 27 HZ1 LYS 27 26.656 17.428 15.927
209 HZ2 LYS 27 HZ2 LYS 27 27.005 15.998 16.656
210 HZ3 LYS 27 HZ3 LYS 27 25.494 16.290 16.065
211 H CYS 28 H CYS 28 27.095 19.358 22.934
212 HA CYS 28 HA CYS 28 28.925 21.610 23.462
213 HB2 CYS 28 HB2 CYS 28 28.785 18.991 24.953
214 HB3 CYS 28 HB3 CYS 28 29.522 20.497 25.452
215 H VAL 29 H VAL 29 31.105 21.641 23.081
216 HA VAL 29 HA VAL 29 32.473 19.251 21.995
217 HB VAL 29 HB VAL 29 33.419 20.756 20.166
218 HG11 VAL 29 HG11 VAL 29 31.709 20.026 18.587
219 HG12 VAL 29 HG12 VAL 29 32.024 18.754 19.773
220 HG13 VAL 29 HG13 VAL 29 30.556 19.754 19.900
221 HG21 VAL 29 HG21 VAL 29 32.266 22.866 20.936
222 HG22 VAL 29 HG22 VAL 29 32.013 22.453 19.230
223 HG23 VAL 29 HG23 VAL 29 30.728 22.154 20.421
224 H TYR 30 H TYR 30 34.322 18.996 22.741
225 HA TYR 30 HA TYR 30 35.706 20.575 24.636
226 HB2 TYR 30 HB2 TYR 30 36.526 18.273 22.837
227 HB3 TYR 30 HB3 TYR 30 37.690 19.069 23.867
228 HD1 TYR 30 HD1 TYR 30 37.519 19.037 26.321
229 HD2 TYR 30 HD2 TYR 30 34.913 16.689 23.815
230 HE1 TYR 30 HE1 TYR 30 36.999 17.548 28.250
231 HE2 TYR 30 HE2 TYR 30 34.398 15.200 25.743
232 HH TYR 30 HH TYR 30 35.102 14.594 27.875
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 13.765 24.007 16.469
2 H2 ALA 1 H2 ALA 1 13.601 25.120 15.258
3 H3 ALA 1 H3 ALA 1 12.302 24.693 16.165
4 HA ALA 1 HA ALA 1 13.034 26.830 16.827
5 HB1 ALA 1 HB1 ALA 1 13.755 24.726 18.918
6 HB2 ALA 1 HB2 ALA 1 13.400 26.438 19.224
7 HB3 ALA 1 HB3 ALA 1 12.135 25.372 18.593
8 H PHE 2 H PHE 2 14.643 28.226 16.591
9 HA PHE 2 HA PHE 2 17.147 27.236 15.620
10 HB2 PHE 2 HB2 PHE 2 16.294 30.068 16.315
11 HB3 PHE 2 HB3 PHE 2 17.722 29.635 15.390
12 HD1 PHE 2 HD1 PHE 2 17.166 27.836 13.371
13 HD2 PHE 2 HD2 PHE 2 14.478 30.799 14.996
14 HE1 PHE 2 HE1 PHE 2 15.852 27.805 11.255
15 HE2 PHE 2 HE2 PHE 2 13.187 30.794 12.868
16 HZ PHE 2 HZ PHE 2 13.861 29.276 11.017
17 H CYS 3 H CYS 3 19.196 27.507 16.272
18 HA CYS 3 HA CYS 3 19.870 26.515 18.746
19 HB2 CYS 3 HB2 CYS 3 21.248 26.434 16.727
20 HB3 CYS 3 HB3 CYS 3 21.460 28.186 16.785
21 H ASN 4 H ASN 4 20.106 27.271 20.763
22 HA ASN 4 HA ASN 4 20.399 30.225 21.240
23 HB2 ASN 4 HB2 ASN 4 18.410 28.254 22.253
24 HB3 ASN 4 HB3 ASN 4 19.103 29.332 23.465
25 HD21 ASN 4 HD21 ASN 4 17.309 31.374 20.402
26 HD22 ASN 4 HD22 ASN 4 18.190 29.910 19.987
27 H LEU 5 H LEU 5 22.355 30.600 21.876
28 HA LEU 5 HA LEU 5 24.115 28.529 22.804
29 HB2 LEU 5 HB2 LEU 5 24.424 31.525 22.389
30 HB3 LEU 5 HB3 LEU 5 25.727 30.447 22.818
31 HG LEU 5 HG LEU 5 25.913 30.985 20.556
32 HD11 LEU 5 HD11 LEU 5 24.839 28.136 20.679
33 HD12 LEU 5 HD12 LEU 5 25.988 28.802 19.504
34 HD13 LEU 5 HD13 LEU 5 26.461 28.654 21.204
35 HD21 LEU 5 HD21 LEU 5 23.537 31.563 20.057
36 HD22 LEU 5 HD22 LEU 5 24.341 30.597 18.811
37 HD23 LEU 5 HD23 LEU 5 23.188 29.819 19.898
38 H ARG 6 H ARG 6 22.962 31.591 24.366
39 HA ARG 6 HA ARG 6 24.634 31.302 26.658
40 HB2 ARG 6 HB2 ARG 6 21.906 32.659 26.687
41 HB3 ARG 6 HB3 ARG 6 23.236 32.927 27.802
42 HG2 ARG 6 HG2 ARG 6 23.109 33.700 24.880
43 HG3 ARG 6 HG3 ARG 6 23.052 34.783 26.251
44 HD2 ARG 6 HD2 ARG 6 25.468 33.087 25.491
45 HD3 ARG 6 HD3 ARG 6 25.236 34.760 25.024
46 HE ARG 6 HE ARG 6 26.014 33.753 27.678
47 HH11 ARG 6 HH11 ARG 6 24.784 36.664 26.037
48 HH12 ARG 6 HH12 ARG 6 25.663 37.673 27.181
49 HH21 ARG 6 HH21 ARG 6 27.159 35.196 28.861
50 HH22 ARG 6 HH22 ARG 6 26.835 36.934 28.676
51 H ARG 7 H ARG 7 21.332 30.083 26.239
52 HA ARG 7 HA ARG 7 21.101 28.763 28.829
53 HB2 ARG 7 HB2 ARG 7 19.696 28.566 26.139
54 HB3 ARG 7 HB3 ARG 7 19.296 27.455 27.425
55 HG2 ARG 7 HG2 ARG 7 19.056 30.491 27.620
56 HG3 ARG 7 HG3 ARG 7 17.745 29.386 27.219
57 HD2 ARG 7 HD2 ARG 7 19.201 29.634 29.871
58 HD3 ARG 7 HD3 ARG 7 17.508 29.987 29.535
59 HE ARG 7 HE ARG 7 18.657 27.435 30.229
60 HH11 ARG 7 HH11 ARG 7 15.740 28.746 28.718
61 HH12 ARG 7 HH12 ARG 7 15.066 27.143 28.585
62 HH21 ARG 7 HH21 ARG 7 17.834 25.501 29.675
63 HH22 ARG 7 HH22 ARG 7 16.154 25.404 29.149
64 H CYS 8 H CYS 8 22.466 27.706 25.755
65 HA CYS 8 HA CYS 8 22.681 24.879 26.494
66 HB2 CYS 8 HB2 CYS 8 22.381 25.594 24.191
67 HB3 CYS 8 HB3 CYS 8 23.818 26.606 24.274
68 H GLU 9 H GLU 9 24.973 27.644 26.311
69 HA GLU 9 HA GLU 9 27.360 26.297 26.907
70 HB2 GLU 9 HB2 GLU 9 26.397 29.112 27.480
71 HB3 GLU 9 HB3 GLU 9 28.030 28.595 27.874
72 HG2 GLU 9 HG2 GLU 9 27.068 28.110 25.054
73 HG3 GLU 9 HG3 GLU 9 27.422 29.761 25.554
74 H LEU 10 H LEU 10 24.850 27.380 29.284
75 HA LEU 10 HA LEU 10 26.193 27.003 31.692
76 HB2 LEU 10 HB2 LEU 10 23.386 26.019 31.299
77 HB3 LEU 10 HB3 LEU 10 24.156 26.837 32.635
78 HG LEU 10 HG LEU 10 23.197 27.960 30.109
79 HD11 LEU 10 HD11 LEU 10 21.584 27.536 31.914
80 HD12 LEU 10 HD12 LEU 10 22.596 28.468 33.037
81 HD13 LEU 10 HD13 LEU 10 21.766 29.292 31.686
82 HD21 LEU 10 HD21 LEU 10 25.278 29.261 30.659
83 HD22 LEU 10 HD22 LEU 10 23.876 30.246 31.081
84 HD23 LEU 10 HD23 LEU 10 24.760 29.384 32.353
85 H SER 11 H SER 11 24.732 24.726 29.504
86 HA SER 11 HA SER 11 24.814 22.416 31.277
87 HB2 SER 11 HB2 SER 11 23.010 23.155 29.628
88 HB3 SER 11 HB3 SER 11 24.078 22.608 28.333
89 HG SER 11 HG SER 11 22.545 21.024 29.054
90 H CYS 12 H CYS 12 26.582 23.630 28.402
91 HA CYS 12 HA CYS 12 28.356 21.322 28.263
92 HB2 CYS 12 HB2 CYS 12 28.845 24.080 27.116
93 HB3 CYS 12 HB3 CYS 12 29.578 22.543 26.613
94 H ARG 13 H ARG 13 28.542 24.479 29.913
95 HA ARG 13 HA ARG 13 31.129 24.364 31.011
96 HB2 ARG 13 HB2 ARG 13 29.350 26.199 31.101
97 HB3 ARG 13 HB3 ARG 13 28.618 25.313 32.443
98 HG2 ARG 13 HG2 ARG 13 30.875 25.552 33.634
99 HG3 ARG 13 HG3 ARG 13 31.355 26.638 32.320
100 HD2 ARG 13 HD2 ARG 13 29.005 26.968 34.222
101 HD3 ARG 13 HD3 ARG 13 30.509 27.904 34.245
102 HE ARG 13 HE ARG 13 29.583 28.460 31.749
103 HH11 ARG 13 HH11 ARG 13 27.874 28.611 34.875
104 HH12 ARG 13 HH12 ARG 13 26.968 30.000 34.358
105 HH21 ARG 13 HH21 ARG 13 28.211 30.131 31.182
106 HH22 ARG 13 HH22 ARG 13 27.038 30.739 32.305
107 H SER 14 H SER 14 28.179 22.664 32.114
108 HA SER 14 HA SER 14 29.339 21.478 34.446
109 HB2 SER 14 HB2 SER 14 27.424 20.201 34.621
110 HB3 SER 14 HB3 SER 14 26.842 21.635 33.760
111 HG SER 14 HG SER 14 26.927 20.432 31.815
112 H LEU 15 H LEU 15 29.911 20.712 31.119
113 HA LEU 15 HA LEU 15 31.094 18.056 31.721
114 HB2 LEU 15 HB2 LEU 15 31.119 19.446 29.070
115 HB3 LEU 15 HB3 LEU 15 31.226 17.721 29.415
116 HG LEU 15 HG LEU 15 28.771 19.494 29.539
117 HD11 LEU 15 HD11 LEU 15 28.004 18.119 27.646
118 HD12 LEU 15 HD12 LEU 15 29.484 19.022 27.296
119 HD13 LEU 15 HD13 LEU 15 29.574 17.283 27.643
120 HD21 LEU 15 HD21 LEU 15 27.481 17.395 29.901
121 HD22 LEU 15 HD22 LEU 15 29.001 16.483 30.004
122 HD23 LEU 15 HD23 LEU 15 28.588 17.681 31.251
123 H GLY 16 H GLY 16 31.991 21.391 31.289
124 HA2 GLY 16 HA2 GLY 16 34.089 22.413 31.502
125 HA3 GLY 16 HA3 GLY 16 34.891 20.835 31.466
126 H LEU 17 H LEU 17 32.550 22.184 29.075
127 HA LEU 17 HA LEU 17 34.650 22.929 27.190
128 HB2 LEU 17 HB2 LEU 17 33.581 21.496 25.361
129 HB3 LEU 17 HB3 LEU 17 34.729 20.754 26.449
130 HG LEU 17 HG LEU 17 31.913 20.474 27.350
131 HD11 LEU 17 HD11 LEU 17 31.226 18.856 25.733
132 HD12 LEU 17 HD12 LEU 17 31.586 20.404 24.936
133 HD13 LEU 17 HD13 LEU 17 32.737 19.056 24.806
134 HD21 LEU 17 HD21 LEU 17 32.627 18.088 27.548
135 HD22 LEU 17 HD22 LEU 17 34.118 18.468 26.679
136 HD23 LEU 17 HD23 LEU 17 33.835 19.157 28.295
137 H LEU 18 H LEU 18 33.624 23.638 25.022
138 HA LEU 18 HA LEU 18 31.640 25.695 25.656
139 HB2 LEU 18 HB2 LEU 18 33.185 24.903 23.170
140 HB3 LEU 18 HB3 LEU 18 31.959 26.165 23.129
141 HG LEU 18 HG LEU 18 34.335 26.254 24.997
142 HD11 LEU 18 HD11 LEU 18 33.877 27.525 22.254
143 HD12 LEU 18 HD12 LEU 18 35.260 27.866 23.315
144 HD13 LEU 18 HD13 LEU 18 35.042 26.247 22.641
145 HD21 LEU 18 HD21 LEU 18 33.784 28.687 25.092
146 HD22 LEU 18 HD22 LEU 18 32.305 28.356 24.154
147 HD23 LEU 18 HD23 LEU 18 32.517 27.673 25.775
148 H GLY 19 H GLY 19 29.818 26.108 24.573
149 HA2 GLY 19 HA2 GLY 19 28.376 23.861 23.172
150 HA3 GLY 19 HA3 GLY 19 27.576 25.133 24.095
151 H LYS 20 H LYS 20 27.918 24.171 21.040
152 HA LYS 20 HA LYS 20 27.452 26.855 19.940
153 HB2 LYS 20 HB2 LYS 20 29.093 26.664 18.135
154 HB3 LYS 20 HB3 LYS 20 29.804 26.877 19.728
155 HG2 LYS 20 HG2 LYS 20 30.485 24.550 19.808
156 HG3 LYS 20 HG3 LYS 20 29.566 24.179 18.337
157 HD2 LYS 20 HD2 LYS 20 31.893 24.370 17.745
158 HD3 LYS 20 HD3 LYS 20 31.011 25.736 17.049
159 HE2 LYS 20 HE2 LYS 20 31.847 27.229 18.827
160 HE3 LYS 20 HE3 LYS 20 32.612 25.857 19.645
161 HZ1 LYS 20 HZ1 LYS 20 34.231 27.075 18.316
162 HZ2 LYS 20 HZ2 LYS 20 34.049 25.561 17.737
163 HZ3 LYS 20 HZ3 LYS 20 33.358 26.813 16.932
164 H CYS 21 H CYS 21 26.777 26.785 17.610
165 HA CYS 21 HA CYS 21 24.605 24.899 17.498
166 HB2 CYS 21 HB2 CYS 21 25.555 26.871 15.407
167 HB3 CYS 21 HB3 CYS 21 23.956 26.145 15.526
168 H ILE 22 H ILE 22 24.288 23.060 16.350
169 HA ILE 22 HA ILE 22 25.890 22.533 13.916
170 HB ILE 22 HB ILE 22 25.545 20.368 16.019
171 HG12 ILE 22 HG12 ILE 22 28.051 21.951 15.306
172 HG13 ILE 22 HG13 ILE 22 27.211 21.940 16.862
173 HG21 ILE 22 HG21 ILE 22 26.890 19.019 14.491
174 HG22 ILE 22 HG22 ILE 22 25.560 19.688 13.566
175 HG23 ILE 22 HG23 ILE 22 27.167 20.414 13.427
176 HD11 ILE 22 HD11 ILE 22 29.136 20.582 17.108
177 HD12 ILE 22 HD12 ILE 22 27.744 19.476 17.047
178 HD13 ILE 22 HD13 ILE 22 28.797 19.681 15.624
179 H GLY 23 H GLY 23 24.219 22.647 12.465
180 HA2 GLY 23 HA2 GLY 23 22.290 22.023 11.352
181 HA3 GLY 23 HA3 GLY 23 22.129 20.664 12.464
182 H GLU 24 H GLU 24 21.956 24.210 12.926
183 HA GLU 24 HA GLU 24 20.482 25.591 13.890
184 HB2 GLU 24 HB2 GLU 24 18.276 23.759 12.963
185 HB3 GLU 24 HB3 GLU 24 18.148 25.473 13.319
186 HG2 GLU 24 HG2 GLU 24 19.655 24.218 10.996
187 HG3 GLU 24 HG3 GLU 24 18.087 24.999 10.927
188 H GLU 25 H GLU 25 21.266 23.079 15.568
189 HA GLU 25 HA GLU 25 19.825 24.109 17.924
190 HB2 GLU 25 HB2 GLU 25 18.585 22.055 17.198
191 HB3 GLU 25 HB3 GLU 25 20.069 21.121 17.402
192 HG2 GLU 25 HG2 GLU 25 20.076 21.775 19.835
193 HG3 GLU 25 HG3 GLU 25 18.570 22.648 19.581
194 H CYS 26 H CYS 26 21.100 23.963 19.871
195 HA CYS 26 HA CYS 26 23.944 24.040 19.375
196 HB2 CYS 26 HB2 CYS 26 22.693 25.547 20.897
197 HB3 CYS 26 HB3 CYS 26 22.414 24.188 21.977
198 H LYS 27 H LYS 27 25.590 22.796 20.174
199 HA LYS 27 HA LYS 27 25.093 20.270 21.644
200 HB2 LYS 27 HB2 LYS 27 25.138 19.978 19.020
201 HB3 LYS 27 HB3 LYS 27 26.839 20.375 19.158
202 HG2 LYS 27 HG2 LYS 27 26.857 18.045 19.148
203 HG3 LYS 27 HG3 LYS 27 27.000 18.417 20.858
204 HD2 LYS 27 HD2 LYS 27 25.422 16.635 20.656
205 HD3 LYS 27 HD3 LYS 27 24.472 18.085 21.039
206 HE2 LYS 27 HE2 LYS 27 23.895 18.361 18.654
207 HE3 LYS 27 HE3 LYS 27 24.922 16.986 18.222
208 HZ1 LYS 27 HZ1 LYS 27 23.427 15.536 19.426
209 HZ2 LYS 27 HZ2 LYS 27 22.497 16.809 19.930
210 HZ3 LYS 27 HZ3 LYS 27 22.593 16.391 18.336
211 H CYS 28 H CYS 28 26.913 19.642 22.913
212 HA CYS 28 HA CYS 28 28.907 21.756 23.295
213 HB2 CYS 28 HB2 CYS 28 28.739 19.164 24.818
214 HB3 CYS 28 HB3 CYS 28 29.514 20.666 25.286
215 H VAL 29 H VAL 29 31.105 21.653 22.872
216 HA VAL 29 HA VAL 29 32.341 19.171 21.844
217 HB VAL 29 HB VAL 29 33.311 20.448 19.890
218 HG11 VAL 29 HG11 VAL 29 30.327 19.937 19.715
219 HG12 VAL 29 HG12 VAL 29 31.502 19.942 18.388
220 HG13 VAL 29 HG13 VAL 29 31.590 18.688 19.635
221 HG21 VAL 29 HG21 VAL 29 32.609 22.752 20.548
222 HG22 VAL 29 HG22 VAL 29 32.085 22.285 18.924
223 HG23 VAL 29 HG23 VAL 29 30.919 22.280 20.264
224 H TYR 30 H TYR 30 34.449 18.957 22.254
225 HA TYR 30 HA TYR 30 35.782 20.460 24.239
226 HB2 TYR 30 HB2 TYR 30 36.893 18.554 22.145
227 HB3 TYR 30 HB3 TYR 30 37.821 19.184 23.489
228 HD1 TYR 30 HD1 TYR 30 35.611 16.590 22.417
229 HD2 TYR 30 HD2 TYR 30 37.043 18.684 25.891
230 HE1 TYR 30 HE1 TYR 30 34.831 14.706 23.863
231 HE2 TYR 30 HE2 TYR 30 36.346 16.776 27.326
232 HH TYR 30 HH TYR 30 35.474 14.650 27.374
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 12.751 31.498 14.506
2 H2 ALA 1 H2 ALA 1 12.863 33.089 14.878
3 H3 ALA 1 H3 ALA 1 11.541 32.235 15.337
4 HA ALA 1 HA ALA 1 13.075 32.674 17.168
5 HB1 ALA 1 HB1 ALA 1 11.522 30.762 17.274
6 HB2 ALA 1 HB2 ALA 1 12.733 29.731 16.472
7 HB3 ALA 1 HB3 ALA 1 13.058 30.410 18.085
8 H PHE 2 H PHE 2 15.103 32.638 18.006
9 HA PHE 2 HA PHE 2 17.359 31.995 16.179
10 HB2 PHE 2 HB2 PHE 2 17.343 33.394 18.872
11 HB3 PHE 2 HB3 PHE 2 18.691 33.285 17.758
12 HD1 PHE 2 HD1 PHE 2 15.966 35.321 18.804
13 HD2 PHE 2 HD2 PHE 2 18.298 34.267 15.332
14 HE1 PHE 2 HE1 PHE 2 15.261 37.428 17.694
15 HE2 PHE 2 HE2 PHE 2 17.579 36.368 14.214
16 HZ PHE 2 HZ PHE 2 16.049 37.944 15.390
17 H CYS 3 H CYS 3 19.220 30.788 16.864
18 HA CYS 3 HA CYS 3 18.800 28.416 18.332
19 HB2 CYS 3 HB2 CYS 3 20.551 28.647 16.668
20 HB3 CYS 3 HB3 CYS 3 21.335 29.906 17.623
21 H ASN 4 H ASN 4 19.038 27.800 20.387
22 HA ASN 4 HA ASN 4 19.058 29.850 22.471
23 HB2 ASN 4 HB2 ASN 4 18.535 26.857 22.508
24 HB3 ASN 4 HB3 ASN 4 18.331 27.936 23.894
25 HD21 ASN 4 HD21 ASN 4 15.439 27.822 21.065
26 HD22 ASN 4 HD22 ASN 4 16.937 26.899 20.835
27 H LEU 5 H LEU 5 21.477 30.174 21.755
28 HA LEU 5 HA LEU 5 23.421 28.265 22.375
29 HB2 LEU 5 HB2 LEU 5 23.642 30.155 20.811
30 HB3 LEU 5 HB3 LEU 5 23.710 31.280 22.151
31 HG LEU 5 HG LEU 5 25.841 30.411 22.895
32 HD11 LEU 5 HD11 LEU 5 25.660 28.005 22.372
33 HD12 LEU 5 HD12 LEU 5 25.647 28.373 20.630
34 HD13 LEU 5 HD13 LEU 5 27.090 28.695 21.608
35 HD21 LEU 5 HD21 LEU 5 25.844 32.086 21.094
36 HD22 LEU 5 HD22 LEU 5 27.197 30.960 20.888
37 HD23 LEU 5 HD23 LEU 5 25.763 30.798 19.869
38 H ARG 6 H ARG 6 22.514 31.064 24.509
39 HA ARG 6 HA ARG 6 24.555 30.650 26.403
40 HB2 ARG 6 HB2 ARG 6 23.007 32.645 26.193
41 HB3 ARG 6 HB3 ARG 6 21.746 31.684 26.949
42 HG2 ARG 6 HG2 ARG 6 22.555 33.039 28.642
43 HG3 ARG 6 HG3 ARG 6 23.286 31.482 28.998
44 HD2 ARG 6 HD2 ARG 6 24.683 33.739 27.476
45 HD3 ARG 6 HD3 ARG 6 24.752 33.585 29.224
46 HE ARG 6 HE ARG 6 26.269 32.075 27.270
47 HH11 ARG 6 HH11 ARG 6 24.998 31.783 30.590
48 HH12 ARG 6 HH12 ARG 6 26.321 30.697 31.002
49 HH21 ARG 6 HH21 ARG 6 28.003 30.923 28.139
50 HH22 ARG 6 HH22 ARG 6 27.809 30.185 29.735
51 H ARG 7 H ARG 7 21.302 29.221 26.446
52 HA ARG 7 HA ARG 7 21.601 27.698 28.895
53 HB2 ARG 7 HB2 ARG 7 19.769 27.346 26.488
54 HB3 ARG 7 HB3 ARG 7 19.658 26.382 27.968
55 HG2 ARG 7 HG2 ARG 7 19.202 28.389 29.311
56 HG3 ARG 7 HG3 ARG 7 19.425 29.416 27.886
57 HD2 ARG 7 HD2 ARG 7 17.063 29.150 28.191
58 HD3 ARG 7 HD3 ARG 7 17.555 28.230 26.760
59 HE ARG 7 HE ARG 7 17.456 26.684 29.276
60 HH11 ARG 7 HH11 ARG 7 15.482 27.634 26.496
61 HH12 ARG 7 HH12 ARG 7 14.361 26.316 26.822
62 HH21 ARG 7 HH21 ARG 7 15.990 25.174 29.568
63 HH22 ARG 7 HH22 ARG 7 14.578 25.083 28.506
64 H CYS 8 H CYS 8 22.456 26.970 25.559
65 HA CYS 8 HA CYS 8 23.234 24.210 26.053
66 HB2 CYS 8 HB2 CYS 8 22.646 25.132 23.842
67 HB3 CYS 8 HB3 CYS 8 24.023 26.207 23.916
68 H GLU 9 H GLU 9 25.168 27.222 25.630
69 HA GLU 9 HA GLU 9 27.708 26.290 26.263
70 HB2 GLU 9 HB2 GLU 9 26.306 28.950 26.590
71 HB3 GLU 9 HB3 GLU 9 27.969 28.775 27.097
72 HG2 GLU 9 HG2 GLU 9 27.327 27.796 24.325
73 HG3 GLU 9 HG3 GLU 9 27.237 29.537 24.615
74 H LEU 10 H LEU 10 25.317 27.539 28.671
75 HA LEU 10 HA LEU 10 27.129 27.185 30.895
76 HB2 LEU 10 HB2 LEU 10 25.427 27.930 32.251
77 HB3 LEU 10 HB3 LEU 10 25.147 28.710 30.714
78 HG LEU 10 HG LEU 10 23.424 26.748 30.330
79 HD11 LEU 10 HD11 LEU 10 23.546 26.923 33.381
80 HD12 LEU 10 HD12 LEU 10 22.306 26.070 32.433
81 HD13 LEU 10 HD13 LEU 10 23.975 25.490 32.437
82 HD21 LEU 10 HD21 LEU 10 22.913 29.042 32.277
83 HD22 LEU 10 HD22 LEU 10 22.848 29.146 30.507
84 HD23 LEU 10 HD23 LEU 10 21.670 28.149 31.376
85 H SER 11 H SER 11 24.850 25.014 29.349
86 HA SER 11 HA SER 11 24.989 22.938 31.399
87 HB2 SER 11 HB2 SER 11 23.124 23.394 29.691
88 HB3 SER 11 HB3 SER 11 24.157 22.579 28.502
89 HG SER 11 HG SER 11 22.845 21.650 30.793
90 H CYS 12 H CYS 12 26.641 23.579 28.292
91 HA CYS 12 HA CYS 12 28.314 21.254 28.286
92 HB2 CYS 12 HB2 CYS 12 28.903 24.010 27.143
93 HB3 CYS 12 HB3 CYS 12 29.610 22.484 26.631
94 H ARG 13 H ARG 13 28.728 24.500 29.771
95 HA ARG 13 HA ARG 13 31.312 24.078 30.849
96 HB2 ARG 13 HB2 ARG 13 30.048 26.253 30.656
97 HB3 ARG 13 HB3 ARG 13 29.068 25.772 32.027
98 HG2 ARG 13 HG2 ARG 13 30.871 27.366 32.611
99 HG3 ARG 13 HG3 ARG 13 30.964 25.865 33.529
100 HD2 ARG 13 HD2 ARG 13 33.190 26.725 32.749
101 HD3 ARG 13 HD3 ARG 13 32.815 25.075 32.236
102 HE ARG 13 HE ARG 13 32.245 27.316 30.343
103 HH11 ARG 13 HH11 ARG 13 34.622 24.789 31.064
104 HH12 ARG 13 HH12 ARG 13 34.949 24.613 29.341
105 HH21 ARG 13 HH21 ARG 13 32.556 26.712 28.261
106 HH22 ARG 13 HH22 ARG 13 33.944 25.686 27.893
107 H SER 14 H SER 14 28.194 22.920 32.137
108 HA SER 14 HA SER 14 29.181 22.016 34.675
109 HB2 SER 14 HB2 SER 14 27.038 20.694 32.978
110 HB3 SER 14 HB3 SER 14 27.253 20.561 34.729
111 HG SER 14 HG SER 14 26.752 22.757 34.933
112 H LEU 15 H LEU 15 29.401 20.562 31.417
113 HA LEU 15 HA LEU 15 30.668 18.088 32.374
114 HB2 LEU 15 HB2 LEU 15 30.858 19.226 29.590
115 HB3 LEU 15 HB3 LEU 15 30.996 17.547 30.088
116 HG LEU 15 HG LEU 15 28.479 19.243 29.926
117 HD11 LEU 15 HD11 LEU 15 29.378 16.843 28.322
118 HD12 LEU 15 HD12 LEU 15 27.852 17.735 28.137
119 HD13 LEU 15 HD13 LEU 15 29.385 18.534 27.776
120 HD21 LEU 15 HD21 LEU 15 28.805 16.322 30.758
121 HD22 LEU 15 HD22 LEU 15 28.230 17.641 31.800
122 HD23 LEU 15 HD23 LEU 15 27.257 17.122 30.415
123 H GLY 16 H GLY 16 31.652 21.192 31.015
124 HA2 GLY 16 HA2 GLY 16 33.794 22.211 31.723
125 HA3 GLY 16 HA3 GLY 16 34.565 20.639 31.512
126 H LEU 17 H LEU 17 32.172 21.532 29.107
127 HA LEU 17 HA LEU 17 34.338 22.183 27.163
128 HB2 LEU 17 HB2 LEU 17 32.019 21.154 25.802
129 HB3 LEU 17 HB3 LEU 17 33.696 20.670 25.687
130 HG LEU 17 HG LEU 17 31.787 19.718 27.763
131 HD11 LEU 17 HD11 LEU 17 32.514 18.279 25.206
132 HD12 LEU 17 HD12 LEU 17 31.530 17.629 26.548
133 HD13 LEU 17 HD13 LEU 17 30.943 18.997 25.625
134 HD21 LEU 17 HD21 LEU 17 34.280 19.337 28.279
135 HD22 LEU 17 HD22 LEU 17 33.368 17.832 28.114
136 HD23 LEU 17 HD23 LEU 17 34.378 18.413 26.778
137 H LEU 18 H LEU 18 33.335 23.160 25.178
138 HA LEU 18 HA LEU 18 31.771 25.600 25.937
139 HB2 LEU 18 HB2 LEU 18 33.556 24.868 23.602
140 HB3 LEU 18 HB3 LEU 18 32.380 26.165 23.431
141 HG LEU 18 HG LEU 18 34.274 26.201 25.783
142 HD11 LEU 18 HD11 LEU 18 34.893 27.240 22.997
143 HD12 LEU 18 HD12 LEU 18 35.856 27.549 24.466
144 HD13 LEU 18 HD13 LEU 18 35.717 25.903 23.832
145 HD21 LEU 18 HD21 LEU 18 34.000 28.641 25.550
146 HD22 LEU 18 HD22 LEU 18 32.920 28.387 24.158
147 HD23 LEU 18 HD23 LEU 18 32.450 27.829 25.775
148 H GLY 19 H GLY 19 30.008 26.230 24.565
149 HA2 GLY 19 HA2 GLY 19 28.609 23.945 23.180
150 HA3 GLY 19 HA3 GLY 19 27.765 25.233 24.006
151 H LYS 20 H LYS 20 27.766 24.302 21.107
152 HA LYS 20 HA LYS 20 28.163 26.963 19.820
153 HB2 LYS 20 HB2 LYS 20 30.267 25.666 19.536
154 HB3 LYS 20 HB3 LYS 20 29.344 24.368 18.757
155 HG2 LYS 20 HG2 LYS 20 28.702 25.914 16.924
156 HG3 LYS 20 HG3 LYS 20 29.510 27.248 17.757
157 HD2 LYS 20 HD2 LYS 20 30.874 26.445 15.929
158 HD3 LYS 20 HD3 LYS 20 31.689 26.142 17.472
159 HE2 LYS 20 HE2 LYS 20 31.012 23.778 17.407
160 HE3 LYS 20 HE3 LYS 20 30.052 24.060 15.944
161 HZ1 LYS 20 HZ1 LYS 20 32.983 24.469 16.092
162 HZ2 LYS 20 HZ2 LYS 20 32.279 23.106 15.514
163 HZ3 LYS 20 HZ3 LYS 20 32.036 24.527 14.729
164 H CYS 21 H CYS 21 26.693 27.494 18.319
165 HA CYS 21 HA CYS 21 24.332 25.859 17.974
166 HB2 CYS 21 HB2 CYS 21 25.280 28.496 16.840
167 HB3 CYS 21 HB3 CYS 21 23.762 27.743 16.331
168 H ILE 22 H ILE 22 23.859 24.451 16.444
169 HA ILE 22 HA ILE 22 25.125 24.477 13.784
170 HB ILE 22 HB ILE 22 26.610 23.163 15.140
171 HG12 ILE 22 HG12 ILE 22 24.876 21.414 13.358
172 HG13 ILE 22 HG13 ILE 22 26.193 22.476 12.843
173 HG21 ILE 22 HG21 ILE 22 24.341 21.295 15.943
174 HG22 ILE 22 HG22 ILE 22 26.039 21.218 16.435
175 HG23 ILE 22 HG23 ILE 22 25.039 22.533 17.006
176 HD11 ILE 22 HD11 ILE 22 27.741 21.133 14.328
177 HD12 ILE 22 HD12 ILE 22 26.408 19.983 14.564
178 HD13 ILE 22 HD13 ILE 22 27.073 20.243 12.938
179 H GLY 23 H GLY 23 23.484 24.487 12.400
180 HA2 GLY 23 HA2 GLY 23 21.555 23.908 11.306
181 HA3 GLY 23 HA3 GLY 23 21.466 22.443 12.290
182 H GLU 24 H GLU 24 21.360 25.829 13.436
183 HA GLU 24 HA GLU 24 19.994 26.958 14.803
184 HB2 GLU 24 HB2 GLU 24 17.676 25.398 13.638
185 HB3 GLU 24 HB3 GLU 24 17.596 26.922 14.512
186 HG2 GLU 24 HG2 GLU 24 19.058 26.612 11.855
187 HG3 GLU 24 HG3 GLU 24 17.377 27.063 12.017
188 H GLU 25 H GLU 25 20.658 23.904 15.378
189 HA GLU 25 HA GLU 25 19.469 23.896 18.108
190 HB2 GLU 25 HB2 GLU 25 20.629 21.568 16.516
191 HB3 GLU 25 HB3 GLU 25 19.923 21.496 18.124
192 HG2 GLU 25 HG2 GLU 25 18.478 22.056 15.516
193 HG3 GLU 25 HG3 GLU 25 18.326 20.640 16.546
194 H CYS 26 H CYS 26 21.382 22.366 19.402
195 HA CYS 26 HA CYS 26 24.008 23.598 18.875
196 HB2 CYS 26 HB2 CYS 26 22.782 25.217 20.245
197 HB3 CYS 26 HB3 CYS 26 22.500 23.987 21.480
198 H LYS 27 H LYS 27 25.751 22.593 19.853
199 HA LYS 27 HA LYS 27 25.273 20.265 21.606
200 HB2 LYS 27 HB2 LYS 27 26.426 18.667 20.404
201 HB3 LYS 27 HB3 LYS 27 25.461 19.453 19.163
202 HG2 LYS 27 HG2 LYS 27 27.482 20.825 18.541
203 HG3 LYS 27 HG3 LYS 27 28.422 19.933 19.753
204 HD2 LYS 27 HD2 LYS 27 26.979 18.560 17.452
205 HD3 LYS 27 HD3 LYS 27 28.644 19.140 17.335
206 HE2 LYS 27 HE2 LYS 27 29.381 17.699 19.140
207 HE3 LYS 27 HE3 LYS 27 27.716 17.184 19.485
208 HZ1 LYS 27 HZ1 LYS 27 29.041 16.687 16.873
209 HZ2 LYS 27 HZ2 LYS 27 29.017 15.576 18.086
210 HZ3 LYS 27 HZ3 LYS 27 27.635 16.075 17.361
211 H CYS 28 H CYS 28 27.175 19.552 22.730
212 HA CYS 28 HA CYS 28 28.987 21.798 23.347
213 HB2 CYS 28 HB2 CYS 28 28.769 19.149 24.750
214 HB3 CYS 28 HB3 CYS 28 29.566 20.611 25.323
215 H VAL 29 H VAL 29 31.171 21.756 23.118
216 HA VAL 29 HA VAL 29 32.567 19.422 21.949
217 HB VAL 29 HB VAL 29 33.607 20.935 20.237
218 HG11 VAL 29 HG11 VAL 29 30.628 20.471 19.903
219 HG12 VAL 29 HG12 VAL 29 31.817 20.669 18.612
220 HG13 VAL 29 HG13 VAL 29 31.897 19.250 19.662
221 HG21 VAL 29 HG21 VAL 29 31.202 22.745 20.730
222 HG22 VAL 29 HG22 VAL 29 32.878 23.155 21.145
223 HG23 VAL 29 HG23 VAL 29 32.425 22.907 19.454
224 H TYR 30 H TYR 30 34.703 19.247 22.465
225 HA TYR 30 HA TYR 30 35.747 20.894 24.693
226 HB2 TYR 30 HB2 TYR 30 36.231 18.909 25.382
227 HB3 TYR 30 HB3 TYR 30 35.724 18.148 23.885
228 HD1 TYR 30 HD1 TYR 30 37.301 17.509 22.199
229 HD2 TYR 30 HD2 TYR 30 38.493 19.785 25.636
230 HE1 TYR 30 HE1 TYR 30 39.620 17.421 21.437
231 HE2 TYR 30 HE2 TYR 30 40.817 19.730 24.901
232 HH TYR 30 HH TYR 30 41.748 18.386 21.740
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 12.381 25.405 16.382
2 H2 ALA 1 H2 ALA 1 12.593 26.254 15.002
3 H3 ALA 1 H3 ALA 1 11.092 26.175 15.691
4 HA ALA 1 HA ALA 1 12.050 28.311 16.119
5 HB1 ALA 1 HB1 ALA 1 12.022 26.555 18.615
6 HB2 ALA 1 HB2 ALA 1 11.886 28.326 18.574
7 HB3 ALA 1 HB3 ALA 1 10.601 27.326 17.876
8 H PHE 2 H PHE 2 13.792 29.582 16.857
9 HA PHE 2 HA PHE 2 16.342 28.549 16.121
10 HB2 PHE 2 HB2 PHE 2 15.677 31.092 17.635
11 HB3 PHE 2 HB3 PHE 2 17.187 30.749 16.810
12 HD1 PHE 2 HD1 PHE 2 16.147 29.608 14.174
13 HD2 PHE 2 HD2 PHE 2 14.983 33.043 16.515
14 HE1 PHE 2 HE1 PHE 2 15.430 30.767 12.118
15 HE2 PHE 2 HE2 PHE 2 14.314 34.224 14.437
16 HZ PHE 2 HZ PHE 2 14.545 33.093 12.233
17 H CYS 3 H CYS 3 18.213 28.245 17.167
18 HA CYS 3 HA CYS 3 18.217 26.795 19.614
19 HB2 CYS 3 HB2 CYS 3 19.733 26.418 17.756
20 HB3 CYS 3 HB3 CYS 3 20.398 28.027 17.895
21 H ASN 4 H ASN 4 18.763 27.283 21.669
22 HA ASN 4 HA ASN 4 19.160 30.152 22.447
23 HB2 ASN 4 HB2 ASN 4 18.085 27.720 23.925
24 HB3 ASN 4 HB3 ASN 4 18.635 29.178 24.759
25 HD21 ASN 4 HD21 ASN 4 15.160 29.365 22.603
26 HD22 ASN 4 HD22 ASN 4 16.153 27.923 22.544
27 H LEU 5 H LEU 5 21.302 30.418 21.970
28 HA LEU 5 HA LEU 5 23.347 28.518 22.526
29 HB2 LEU 5 HB2 LEU 5 23.519 30.286 20.806
30 HB3 LEU 5 HB3 LEU 5 23.518 31.520 22.060
31 HG LEU 5 HG LEU 5 25.675 30.673 22.939
32 HD11 LEU 5 HD11 LEU 5 25.586 28.752 20.569
33 HD12 LEU 5 HD12 LEU 5 27.002 29.059 21.599
34 HD13 LEU 5 HD13 LEU 5 25.573 28.295 22.291
35 HD21 LEU 5 HD21 LEU 5 25.712 31.203 19.942
36 HD22 LEU 5 HD22 LEU 5 25.630 32.436 21.219
37 HD23 LEU 5 HD23 LEU 5 27.067 31.415 21.077
38 H ARG 6 H ARG 6 22.274 31.379 24.461
39 HA ARG 6 HA ARG 6 24.414 31.219 26.410
40 HB2 ARG 6 HB2 ARG 6 21.586 32.303 26.741
41 HB3 ARG 6 HB3 ARG 6 22.912 32.561 27.857
42 HG2 ARG 6 HG2 ARG 6 22.751 33.588 24.992
43 HG3 ARG 6 HG3 ARG 6 22.512 34.531 26.456
44 HD2 ARG 6 HD2 ARG 6 25.118 33.230 25.567
45 HD3 ARG 6 HD3 ARG 6 24.727 34.943 25.495
46 HE ARG 6 HE ARG 6 25.535 33.387 27.853
47 HH11 ARG 6 HH11 ARG 6 24.320 36.569 26.814
48 HH12 ARG 6 HH12 ARG 6 24.841 37.258 28.346
49 HH21 ARG 6 HH21 ARG 6 25.744 34.402 29.830
50 HH22 ARG 6 HH22 ARG 6 25.573 36.158 29.884
51 H ARG 7 H ARG 7 21.132 29.813 26.414
52 HA ARG 7 HA ARG 7 21.363 28.307 28.856
53 HB2 ARG 7 HB2 ARG 7 19.844 27.600 26.304
54 HB3 ARG 7 HB3 ARG 7 19.636 26.829 27.876
55 HG2 ARG 7 HG2 ARG 7 18.901 28.995 28.846
56 HG3 ARG 7 HG3 ARG 7 18.994 29.727 27.228
57 HD2 ARG 7 HD2 ARG 7 17.379 27.997 26.394
58 HD3 ARG 7 HD3 ARG 7 17.268 27.336 28.031
59 HE ARG 7 HE ARG 7 16.666 29.952 28.471
60 HH11 ARG 7 HH11 ARG 7 15.173 27.666 26.186
61 HH12 ARG 7 HH12 ARG 7 13.707 28.623 26.202
62 HH21 ARG 7 HH21 ARG 7 14.785 30.871 28.542
63 HH22 ARG 7 HH22 ARG 7 13.390 30.111 27.774
64 H CYS 8 H CYS 8 22.705 27.635 25.661
65 HA CYS 8 HA CYS 8 23.358 24.840 26.288
66 HB2 CYS 8 HB2 CYS 8 22.907 25.598 23.972
67 HB3 CYS 8 HB3 CYS 8 24.327 26.639 24.044
68 H GLU 9 H GLU 9 25.110 27.990 26.207
69 HA GLU 9 HA GLU 9 27.701 27.026 26.637
70 HB2 GLU 9 HB2 GLU 9 26.478 29.581 27.761
71 HB3 GLU 9 HB3 GLU 9 28.193 29.211 27.638
72 HG2 GLU 9 HG2 GLU 9 27.297 28.818 25.015
73 HG3 GLU 9 HG3 GLU 9 26.333 30.193 25.572
74 H LEU 10 H LEU 10 25.187 27.676 29.143
75 HA LEU 10 HA LEU 10 26.681 27.054 31.449
76 HB2 LEU 10 HB2 LEU 10 23.861 26.256 31.476
77 HB3 LEU 10 HB3 LEU 10 24.841 27.247 32.528
78 HG LEU 10 HG LEU 10 23.470 28.073 30.069
79 HD11 LEU 10 HD11 LEU 10 22.099 27.711 32.051
80 HD12 LEU 10 HD12 LEU 10 23.207 28.715 33.010
81 HD13 LEU 10 HD13 LEU 10 22.191 29.460 31.737
82 HD21 LEU 10 HD21 LEU 10 25.542 29.522 30.292
83 HD22 LEU 10 HD22 LEU 10 24.111 30.440 30.733
84 HD23 LEU 10 HD23 LEU 10 25.160 29.778 32.006
85 H SER 11 H SER 11 24.716 25.073 29.291
86 HA SER 11 HA SER 11 24.715 22.660 30.817
87 HB2 SER 11 HB2 SER 11 23.084 23.414 29.065
88 HB3 SER 11 HB3 SER 11 24.295 23.047 27.833
89 HG SER 11 HG SER 11 23.659 21.041 27.950
90 H CYS 12 H CYS 12 26.751 23.761 28.068
91 HA CYS 12 HA CYS 12 28.351 21.339 28.037
92 HB2 CYS 12 HB2 CYS 12 29.106 24.035 26.926
93 HB3 CYS 12 HB3 CYS 12 29.727 22.464 26.473
94 H ARG 13 H ARG 13 28.795 24.565 29.569
95 HA ARG 13 HA ARG 13 31.319 24.128 30.813
96 HB2 ARG 13 HB2 ARG 13 30.037 26.258 30.635
97 HB3 ARG 13 HB3 ARG 13 28.841 25.621 31.769
98 HG2 ARG 13 HG2 ARG 13 30.835 25.436 33.438
99 HG3 ARG 13 HG3 ARG 13 31.700 26.471 32.285
100 HD2 ARG 13 HD2 ARG 13 29.047 27.038 33.658
101 HD3 ARG 13 HD3 ARG 13 30.590 27.786 34.067
102 HE ARG 13 HE ARG 13 30.302 28.483 31.422
103 HH11 ARG 13 HH11 ARG 13 27.969 28.761 34.062
104 HH12 ARG 13 HH12 ARG 13 27.508 30.369 33.523
105 HH21 ARG 13 HH21 ARG 13 29.488 30.404 30.768
106 HH22 ARG 13 HH22 ARG 13 28.260 31.227 31.738
107 H SER 14 H SER 14 28.068 23.047 31.733
108 HA SER 14 HA SER 14 28.865 21.795 34.213
109 HB2 SER 14 HB2 SER 14 26.347 21.339 32.585
110 HB3 SER 14 HB3 SER 14 26.627 20.911 34.278
111 HG SER 14 HG SER 14 26.500 23.507 33.127
112 H LEU 15 H LEU 15 29.545 20.803 31.042
113 HA LEU 15 HA LEU 15 29.959 17.965 31.897
114 HB2 LEU 15 HB2 LEU 15 30.536 19.085 29.154
115 HB3 LEU 15 HB3 LEU 15 30.325 17.410 29.633
116 HG LEU 15 HG LEU 15 28.224 19.546 29.263
117 HD11 LEU 15 HD11 LEU 15 27.395 18.084 27.519
118 HD12 LEU 15 HD12 LEU 15 29.088 18.502 27.233
119 HD13 LEU 15 HD13 LEU 15 28.671 16.893 27.868
120 HD21 LEU 15 HD21 LEU 15 27.825 16.679 30.250
121 HD22 LEU 15 HD22 LEU 15 27.491 18.154 31.184
122 HD23 LEU 15 HD23 LEU 15 26.523 17.785 29.758
123 H GLY 16 H GLY 16 31.586 20.967 31.256
124 HA2 GLY 16 HA2 GLY 16 33.840 21.381 32.038
125 HA3 GLY 16 HA3 GLY 16 34.312 19.759 31.541
126 H LEU 17 H LEU 17 32.294 21.745 29.365
127 HA LEU 17 HA LEU 17 34.618 22.498 27.721
128 HB2 LEU 17 HB2 LEU 17 33.609 21.263 25.749
129 HB3 LEU 17 HB3 LEU 17 34.527 20.381 26.927
130 HG LEU 17 HG LEU 17 31.619 20.307 27.498
131 HD11 LEU 17 HD11 LEU 17 32.636 18.913 24.994
132 HD12 LEU 17 HD12 LEU 17 31.004 18.855 25.714
133 HD13 LEU 17 HD13 LEU 17 31.628 20.373 25.019
134 HD21 LEU 17 HD21 LEU 17 33.713 18.147 26.918
135 HD22 LEU 17 HD22 LEU 17 33.357 18.781 28.545
136 HD23 LEU 17 HD23 LEU 17 32.123 17.876 27.648
137 H LEU 18 H LEU 18 33.801 23.337 25.468
138 HA LEU 18 HA LEU 18 31.953 25.586 26.028
139 HB2 LEU 18 HB2 LEU 18 33.874 24.885 23.789
140 HB3 LEU 18 HB3 LEU 18 32.768 26.242 23.647
141 HG LEU 18 HG LEU 18 34.603 26.025 26.040
142 HD11 LEU 18 HD11 LEU 18 35.254 27.297 23.348
143 HD12 LEU 18 HD12 LEU 18 36.222 27.451 24.831
144 HD13 LEU 18 HD13 LEU 18 36.044 25.867 24.063
145 HD21 LEU 18 HD21 LEU 18 33.332 28.394 24.619
146 HD22 LEU 18 HD22 LEU 18 32.848 27.711 26.201
147 HD23 LEU 18 HD23 LEU 18 34.418 28.486 26.015
148 H GLY 19 H GLY 19 30.502 26.234 24.194
149 HA2 GLY 19 HA2 GLY 19 29.167 23.913 22.838
150 HA3 GLY 19 HA3 GLY 19 28.222 25.108 23.715
151 H LYS 20 H LYS 20 27.928 24.369 20.989
152 HA LYS 20 HA LYS 20 27.873 27.081 19.849
153 HB2 LYS 20 HB2 LYS 20 28.810 26.416 17.712
154 HB3 LYS 20 HB3 LYS 20 29.992 26.343 19.015
155 HG2 LYS 20 HG2 LYS 20 29.669 23.847 19.111
156 HG3 LYS 20 HG3 LYS 20 28.580 23.954 17.720
157 HD2 LYS 20 HD2 LYS 20 31.478 24.883 17.758
158 HD3 LYS 20 HD3 LYS 20 30.931 23.309 17.150
159 HE2 LYS 20 HE2 LYS 20 29.556 24.422 15.425
160 HE3 LYS 20 HE3 LYS 20 30.049 26.005 16.037
161 HZ1 LYS 20 HZ1 LYS 20 31.901 23.973 14.938
162 HZ2 LYS 20 HZ2 LYS 20 31.398 25.290 14.123
163 HZ3 LYS 20 HZ3 LYS 20 32.334 25.478 15.459
164 H CYS 21 H CYS 21 26.130 27.449 18.509
165 HA CYS 21 HA CYS 21 24.019 25.406 18.387
166 HB2 CYS 21 HB2 CYS 21 24.264 28.248 17.396
167 HB3 CYS 21 HB3 CYS 21 22.892 27.220 17.007
168 H ILE 22 H ILE 22 23.550 24.091 16.693
169 HA ILE 22 HA ILE 22 24.845 24.539 14.046
170 HB ILE 22 HB ILE 22 24.750 21.855 15.469
171 HG12 ILE 22 HG12 ILE 22 27.109 23.688 14.829
172 HG13 ILE 22 HG13 ILE 22 26.505 23.264 16.434
173 HG21 ILE 22 HG21 ILE 22 25.901 20.995 13.479
174 HG22 ILE 22 HG22 ILE 22 24.414 21.765 12.970
175 HG23 ILE 22 HG23 ILE 22 25.955 22.621 12.765
176 HD11 ILE 22 HD11 ILE 22 27.910 21.410 14.491
177 HD12 ILE 22 HD12 ILE 22 28.475 21.983 16.064
178 HD13 ILE 22 HD13 ILE 22 27.099 20.863 15.977
179 H GLY 23 H GLY 23 22.905 25.472 13.439
180 HA2 GLY 23 HA2 GLY 23 20.768 25.459 12.502
181 HA3 GLY 23 HA3 GLY 23 20.593 23.746 12.873
182 H GLU 24 H GLU 24 18.680 23.703 14.009
183 HA GLU 24 HA GLU 24 17.997 25.731 16.030
184 HB2 GLU 24 HB2 GLU 24 16.557 23.276 14.973
185 HB3 GLU 24 HB3 GLU 24 15.899 24.376 16.192
186 HG2 GLU 24 HG2 GLU 24 16.377 26.276 14.501
187 HG3 GLU 24 HG3 GLU 24 16.537 25.001 13.295
188 H GLU 25 H GLU 25 20.166 23.421 16.436
189 HA GLU 25 HA GLU 25 19.504 23.096 19.278
190 HB2 GLU 25 HB2 GLU 25 18.533 21.101 18.155
191 HB3 GLU 25 HB3 GLU 25 20.108 20.712 17.477
192 HG2 GLU 25 HG2 GLU 25 19.467 19.335 19.456
193 HG3 GLU 25 HG3 GLU 25 20.998 20.180 19.644
194 H CYS 26 H CYS 26 21.355 22.498 20.567
195 HA CYS 26 HA CYS 26 23.848 23.614 19.381
196 HB2 CYS 26 HB2 CYS 26 22.711 24.841 21.238
197 HB3 CYS 26 HB3 CYS 26 22.937 23.418 22.252
198 H LYS 27 H LYS 27 25.801 22.634 19.635
199 HA LYS 27 HA LYS 27 25.873 19.938 20.928
200 HB2 LYS 27 HB2 LYS 27 25.994 19.684 18.512
201 HB3 LYS 27 HB3 LYS 27 27.307 20.865 18.417
202 HG2 LYS 27 HG2 LYS 27 28.197 18.642 18.155
203 HG3 LYS 27 HG3 LYS 27 28.767 19.315 19.677
204 HD2 LYS 27 HD2 LYS 27 28.189 17.039 20.068
205 HD3 LYS 27 HD3 LYS 27 26.950 18.026 20.852
206 HE2 LYS 27 HE2 LYS 27 25.416 17.637 18.946
207 HE3 LYS 27 HE3 LYS 27 26.653 16.664 18.147
208 HZ1 LYS 27 HZ1 LYS 27 25.315 16.019 20.718
209 HZ2 LYS 27 HZ2 LYS 27 25.102 15.249 19.300
210 HZ3 LYS 27 HZ3 LYS 27 26.558 15.151 20.095
211 H CYS 28 H CYS 28 27.252 19.736 22.528
212 HA CYS 28 HA CYS 28 29.083 21.906 23.237
213 HB2 CYS 28 HB2 CYS 28 28.757 19.207 24.543
214 HB3 CYS 28 HB3 CYS 28 29.569 20.600 25.174
215 H VAL 29 H VAL 29 31.252 21.962 23.028
216 HA VAL 29 HA VAL 29 32.648 19.759 21.604
217 HB VAL 29 HB VAL 29 33.810 21.384 20.190
218 HG11 VAL 29 HG11 VAL 29 31.863 20.033 19.376
219 HG12 VAL 29 HG12 VAL 29 30.783 21.389 19.747
220 HG13 VAL 29 HG13 VAL 29 32.056 21.559 18.516
221 HG21 VAL 29 HG21 VAL 29 32.795 23.585 19.695
222 HG22 VAL 29 HG22 VAL 29 31.605 23.362 20.993
223 HG23 VAL 29 HG23 VAL 29 33.327 23.536 21.370
224 H TYR 30 H TYR 30 34.324 19.172 22.547
225 HA TYR 30 HA TYR 30 35.134 19.686 25.011
226 HB2 TYR 30 HB2 TYR 30 36.840 18.607 22.767
227 HB3 TYR 30 HB3 TYR 30 37.192 18.441 24.483
228 HD1 TYR 30 HD1 TYR 30 35.731 17.107 25.975
229 HD2 TYR 30 HD2 TYR 30 35.163 17.179 21.701
230 HE1 TYR 30 HE1 TYR 30 34.286 15.082 26.121
231 HE2 TYR 30 HE2 TYR 30 33.690 15.183 21.865
232 HH TYR 30 HH TYR 30 32.639 13.656 23.286
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 13.849 29.027 13.052
2 H2 ALA 1 H2 ALA 1 12.571 28.109 13.523
3 H3 ALA 1 H3 ALA 1 14.119 27.526 13.650
4 HA ALA 1 HA ALA 1 13.130 29.882 15.096
5 HB1 ALA 1 HB1 ALA 1 11.895 27.868 15.844
6 HB2 ALA 1 HB2 ALA 1 13.440 27.031 16.139
7 HB3 ALA 1 HB3 ALA 1 13.003 28.458 17.097
8 H PHE 2 H PHE 2 14.647 30.649 16.722
9 HA PHE 2 HA PHE 2 17.411 30.379 15.902
10 HB2 PHE 2 HB2 PHE 2 16.164 31.770 18.289
11 HB3 PHE 2 HB3 PHE 2 17.863 31.870 17.852
12 HD1 PHE 2 HD1 PHE 2 18.475 32.734 15.485
13 HD2 PHE 2 HD2 PHE 2 14.634 33.340 17.344
14 HE1 PHE 2 HE1 PHE 2 18.014 34.605 13.921
15 HE2 PHE 2 HE2 PHE 2 14.184 35.228 15.779
16 HZ PHE 2 HZ PHE 2 15.868 35.854 14.066
17 H CYS 3 H CYS 3 19.156 29.436 16.910
18 HA CYS 3 HA CYS 3 18.721 27.210 18.732
19 HB2 CYS 3 HB2 CYS 3 21.222 27.108 18.713
20 HB3 CYS 3 HB3 CYS 3 20.483 27.061 17.117
21 H ASN 4 H ASN 4 18.967 27.107 20.884
22 HA ASN 4 HA ASN 4 18.970 29.606 22.429
23 HB2 ASN 4 HB2 ASN 4 18.481 26.718 23.265
24 HB3 ASN 4 HB3 ASN 4 18.225 28.142 24.274
25 HD21 ASN 4 HD21 ASN 4 15.516 27.248 21.320
26 HD22 ASN 4 HD22 ASN 4 17.064 26.421 21.362
27 H LEU 5 H LEU 5 21.275 29.864 21.650
28 HA LEU 5 HA LEU 5 23.382 28.142 22.377
29 HB2 LEU 5 HB2 LEU 5 23.392 29.728 20.542
30 HB3 LEU 5 HB3 LEU 5 23.327 31.093 21.638
31 HG LEU 5 HG LEU 5 25.497 30.636 20.516
32 HD11 LEU 5 HD11 LEU 5 26.934 31.221 22.317
33 HD12 LEU 5 HD12 LEU 5 25.375 32.024 22.561
34 HD13 LEU 5 HD13 LEU 5 25.817 30.604 23.531
35 HD21 LEU 5 HD21 LEU 5 26.999 28.912 21.292
36 HD22 LEU 5 HD22 LEU 5 25.807 28.316 22.456
37 HD23 LEU 5 HD23 LEU 5 25.496 28.168 20.713
38 H ARG 6 H ARG 6 22.299 31.121 24.105
39 HA ARG 6 HA ARG 6 24.543 31.110 25.919
40 HB2 ARG 6 HB2 ARG 6 21.834 32.415 26.196
41 HB3 ARG 6 HB3 ARG 6 23.236 32.732 27.235
42 HG2 ARG 6 HG2 ARG 6 24.554 33.453 25.252
43 HG3 ARG 6 HG3 ARG 6 23.160 33.194 24.206
44 HD2 ARG 6 HD2 ARG 6 23.321 35.164 26.507
45 HD3 ARG 6 HD3 ARG 6 23.457 35.551 24.787
46 HE ARG 6 HE ARG 6 20.981 34.144 25.439
47 HH11 ARG 6 HH11 ARG 6 22.352 37.362 25.547
48 HH12 ARG 6 HH12 ARG 6 20.808 38.130 25.321
49 HH21 ARG 6 HH21 ARG 6 19.070 35.160 25.136
50 HH22 ARG 6 HH22 ARG 6 19.014 36.898 24.907
51 H ARG 7 H ARG 7 21.251 29.769 26.379
52 HA ARG 7 HA ARG 7 21.778 28.572 28.984
53 HB2 ARG 7 HB2 ARG 7 19.742 28.033 26.789
54 HB3 ARG 7 HB3 ARG 7 19.806 27.090 28.280
55 HG2 ARG 7 HG2 ARG 7 19.442 29.149 29.615
56 HG3 ARG 7 HG3 ARG 7 19.329 30.101 28.122
57 HD2 ARG 7 HD2 ARG 7 17.404 28.745 27.380
58 HD3 ARG 7 HD3 ARG 7 17.559 27.719 28.814
59 HE ARG 7 HE ARG 7 17.176 30.509 29.539
60 HH11 ARG 7 HH11 ARG 7 15.365 27.600 28.638
61 HH12 ARG 7 HH12 ARG 7 13.869 28.298 29.193
62 HH21 ARG 7 HH21 ARG 7 15.301 31.143 30.440
63 HH22 ARG 7 HH22 ARG 7 13.871 30.120 30.377
64 H CYS 8 H CYS 8 22.359 27.458 25.679
65 HA CYS 8 HA CYS 8 23.090 24.753 26.336
66 HB2 CYS 8 HB2 CYS 8 22.370 25.331 24.135
67 HB3 CYS 8 HB3 CYS 8 23.582 26.587 23.992
68 H GLU 9 H GLU 9 25.168 27.709 25.815
69 HA GLU 9 HA GLU 9 27.674 26.509 26.395
70 HB2 GLU 9 HB2 GLU 9 26.584 29.314 26.867
71 HB3 GLU 9 HB3 GLU 9 28.209 28.851 27.352
72 HG2 GLU 9 HG2 GLU 9 28.606 28.101 24.939
73 HG3 GLU 9 HG3 GLU 9 27.102 28.913 24.534
74 H LEU 10 H LEU 10 25.209 27.722 28.751
75 HA LEU 10 HA LEU 10 26.710 27.236 31.102
76 HB2 LEU 10 HB2 LEU 10 25.039 28.922 31.016
77 HB3 LEU 10 HB3 LEU 10 23.899 27.890 30.167
78 HG LEU 10 HG LEU 10 23.607 26.537 32.137
79 HD11 LEU 10 HD11 LEU 10 24.323 27.462 34.357
80 HD12 LEU 10 HD12 LEU 10 25.729 27.091 33.340
81 HD13 LEU 10 HD13 LEU 10 25.185 28.770 33.511
82 HD21 LEU 10 HD21 LEU 10 23.009 29.501 32.510
83 HD22 LEU 10 HD22 LEU 10 22.021 28.325 31.602
84 HD23 LEU 10 HD23 LEU 10 22.186 28.171 33.353
85 H SER 11 H SER 11 24.592 25.174 29.096
86 HA SER 11 HA SER 11 24.500 22.971 31.006
87 HB2 SER 11 HB2 SER 11 22.808 23.179 29.240
88 HB3 SER 11 HB3 SER 11 24.061 23.026 27.998
89 HG SER 11 HG SER 11 23.309 21.055 28.174
90 H CYS 12 H CYS 12 26.515 23.682 28.095
91 HA CYS 12 HA CYS 12 28.058 21.289 28.246
92 HB2 CYS 12 HB2 CYS 12 28.799 23.970 27.023
93 HB3 CYS 12 HB3 CYS 12 29.522 22.404 26.624
94 H ARG 13 H ARG 13 28.527 24.443 29.768
95 HA ARG 13 HA ARG 13 31.051 24.215 30.970
96 HB2 ARG 13 HB2 ARG 13 29.372 26.111 31.016
97 HB3 ARG 13 HB3 ARG 13 28.494 25.238 32.274
98 HG2 ARG 13 HG2 ARG 13 30.544 25.352 33.726
99 HG3 ARG 13 HG3 ARG 13 31.339 26.309 32.462
100 HD2 ARG 13 HD2 ARG 13 28.790 27.037 33.965
101 HD3 ARG 13 HD3 ARG 13 30.389 27.747 34.237
102 HE ARG 13 HE ARG 13 29.942 28.229 31.549
103 HH11 ARG 13 HH11 ARG 13 27.989 29.061 34.408
104 HH12 ARG 13 HH12 ARG 13 27.420 30.507 33.581
105 HH21 ARG 13 HH21 ARG 13 29.062 30.052 30.676
106 HH22 ARG 13 HH22 ARG 13 27.941 30.999 31.648
107 H SER 14 H SER 14 28.080 22.476 31.882
108 HA SER 14 HA SER 14 28.983 21.456 34.411
109 HB2 SER 14 HB2 SER 14 26.611 21.491 33.537
110 HB3 SER 14 HB3 SER 14 27.057 20.159 32.451
111 HG SER 14 HG SER 14 26.213 19.249 34.231
112 H LEU 15 H LEU 15 29.495 20.321 31.088
113 HA LEU 15 HA LEU 15 30.841 17.833 31.888
114 HB2 LEU 15 HB2 LEU 15 30.989 19.203 29.206
115 HB3 LEU 15 HB3 LEU 15 31.186 17.489 29.565
116 HG LEU 15 HG LEU 15 28.610 19.096 29.542
117 HD11 LEU 15 HD11 LEU 15 29.461 18.670 27.330
118 HD12 LEU 15 HD12 LEU 15 29.659 16.935 27.690
119 HD13 LEU 15 HD13 LEU 15 28.040 17.659 27.622
120 HD21 LEU 15 HD21 LEU 15 28.493 17.272 31.247
121 HD22 LEU 15 HD22 LEU 15 27.462 16.912 29.858
122 HD23 LEU 15 HD23 LEU 15 29.034 16.101 30.021
123 H GLY 16 H GLY 16 31.719 21.161 31.481
124 HA2 GLY 16 HA2 GLY 16 33.773 22.203 31.891
125 HA3 GLY 16 HA3 GLY 16 34.621 20.664 31.795
126 H LEU 17 H LEU 17 32.341 21.861 29.303
127 HA LEU 17 HA LEU 17 34.545 22.748 27.573
128 HB2 LEU 17 HB2 LEU 17 33.531 21.381 25.654
129 HB3 LEU 17 HB3 LEU 17 34.672 20.638 26.743
130 HG LEU 17 HG LEU 17 31.812 20.274 27.507
131 HD11 LEU 17 HD11 LEU 17 32.852 18.778 25.092
132 HD12 LEU 17 HD12 LEU 17 31.271 18.629 25.889
133 HD13 LEU 17 HD13 LEU 17 31.696 20.126 25.035
134 HD21 LEU 17 HD21 LEU 17 34.171 18.365 27.038
135 HD22 LEU 17 HD22 LEU 17 33.718 19.046 28.612
136 HD23 LEU 17 HD23 LEU 17 32.635 17.906 27.782
137 H LEU 18 H LEU 18 33.692 23.618 25.437
138 HA LEU 18 HA LEU 18 31.593 25.561 26.118
139 HB2 LEU 18 HB2 LEU 18 32.359 26.855 24.309
140 HB3 LEU 18 HB3 LEU 18 33.752 26.243 25.177
141 HG LEU 18 HG LEU 18 33.654 24.337 23.270
142 HD11 LEU 18 HD11 LEU 18 32.397 26.787 21.949
143 HD12 LEU 18 HD12 LEU 18 33.114 25.429 21.070
144 HD13 LEU 18 HD13 LEU 18 31.680 25.167 22.064
145 HD21 LEU 18 HD21 LEU 18 35.293 25.651 22.001
146 HD22 LEU 18 HD22 LEU 18 34.770 27.133 22.834
147 HD23 LEU 18 HD23 LEU 18 35.560 25.821 23.739
148 H GLY 19 H GLY 19 29.893 26.154 24.689
149 HA2 GLY 19 HA2 GLY 19 28.698 23.877 23.146
150 HA3 GLY 19 HA3 GLY 19 27.762 25.097 23.992
151 H LYS 20 H LYS 20 27.936 24.249 21.074
152 HA LYS 20 HA LYS 20 28.169 26.987 19.922
153 HB2 LYS 20 HB2 LYS 20 29.282 26.177 17.943
154 HB3 LYS 20 HB3 LYS 20 30.245 25.887 19.387
155 HG2 LYS 20 HG2 LYS 20 29.515 23.491 19.369
156 HG3 LYS 20 HG3 LYS 20 28.627 23.776 17.865
157 HD2 LYS 20 HD2 LYS 20 31.594 24.343 18.182
158 HD3 LYS 20 HD3 LYS 20 30.983 22.760 17.686
159 HE2 LYS 20 HE2 LYS 20 30.122 23.578 15.629
160 HE3 LYS 20 HE3 LYS 20 30.210 25.264 16.172
161 HZ1 LYS 20 HZ1 LYS 20 32.565 25.177 16.132
162 HZ2 LYS 20 HZ2 LYS 20 32.614 23.585 15.736
163 HZ3 LYS 20 HZ3 LYS 20 32.051 24.686 14.660
164 H CYS 21 H CYS 21 26.729 27.595 18.483
165 HA CYS 21 HA CYS 21 24.245 26.115 18.206
166 HB2 CYS 21 HB2 CYS 21 24.260 28.529 18.387
167 HB3 CYS 21 HB3 CYS 21 25.351 28.676 17.005
168 H ILE 22 H ILE 22 23.544 24.855 16.582
169 HA ILE 22 HA ILE 22 24.941 24.845 13.937
170 HB ILE 22 HB ILE 22 23.845 22.381 15.323
171 HG12 ILE 22 HG12 ILE 22 26.734 23.259 14.862
172 HG13 ILE 22 HG13 ILE 22 25.922 23.150 16.425
173 HG21 ILE 22 HG21 ILE 22 25.429 22.687 12.721
174 HG22 ILE 22 HG22 ILE 22 24.784 21.175 13.399
175 HG23 ILE 22 HG23 ILE 22 23.678 22.394 12.804
176 HD11 ILE 22 HD11 ILE 22 26.656 20.820 14.624
177 HD12 ILE 22 HD12 ILE 22 27.330 21.242 16.205
178 HD13 ILE 22 HD13 ILE 22 25.646 20.694 16.090
179 H GLY 23 H GLY 23 23.416 26.485 13.403
180 HA2 GLY 23 HA2 GLY 23 21.509 27.258 12.365
181 HA3 GLY 23 HA3 GLY 23 20.928 25.593 12.220
182 H GLU 24 H GLU 24 19.665 24.718 13.870
183 HA GLU 24 HA GLU 24 18.590 26.564 15.968
184 HB2 GLU 24 HB2 GLU 24 16.442 25.626 15.730
185 HB3 GLU 24 HB3 GLU 24 17.007 26.275 14.191
186 HG2 GLU 24 HG2 GLU 24 17.140 23.327 14.913
187 HG3 GLU 24 HG3 GLU 24 15.771 24.096 14.106
188 H GLU 25 H GLU 25 20.358 23.759 15.509
189 HA GLU 25 HA GLU 25 19.668 22.474 18.115
190 HB2 GLU 25 HB2 GLU 25 21.476 21.768 15.777
191 HB3 GLU 25 HB3 GLU 25 21.666 21.004 17.325
192 HG2 GLU 25 HG2 GLU 25 18.850 20.919 16.464
193 HG3 GLU 25 HG3 GLU 25 19.899 20.308 15.199
194 H CYS 26 H CYS 26 21.530 22.110 19.632
195 HA CYS 26 HA CYS 26 23.893 23.778 19.176
196 HB2 CYS 26 HB2 CYS 26 22.380 25.283 20.387
197 HB3 CYS 26 HB3 CYS 26 22.279 24.128 21.718
198 H LYS 27 H LYS 27 25.688 22.821 19.752
199 HA LYS 27 HA LYS 27 25.537 20.198 21.217
200 HB2 LYS 27 HB2 LYS 27 25.673 20.074 18.709
201 HB3 LYS 27 HB3 LYS 27 27.207 20.955 18.781
202 HG2 LYS 27 HG2 LYS 27 28.129 19.103 20.223
203 HG3 LYS 27 HG3 LYS 27 26.613 18.224 19.999
204 HD2 LYS 27 HD2 LYS 27 28.503 19.096 17.770
205 HD3 LYS 27 HD3 LYS 27 28.507 17.499 18.533
206 HE2 LYS 27 HE2 LYS 27 26.117 17.190 17.814
207 HE3 LYS 27 HE3 LYS 27 26.220 18.728 16.935
208 HZ1 LYS 27 HZ1 LYS 27 27.733 16.239 16.426
209 HZ2 LYS 27 HZ2 LYS 27 26.720 17.037 15.386
210 HZ3 LYS 27 HZ3 LYS 27 28.177 17.684 15.749
211 H CYS 28 H CYS 28 27.213 19.673 22.623
212 HA CYS 28 HA CYS 28 29.090 21.834 23.338
213 HB2 CYS 28 HB2 CYS 28 28.867 19.111 24.625
214 HB3 CYS 28 HB3 CYS 28 29.603 20.570 25.263
215 H VAL 29 H VAL 29 31.330 21.760 23.001
216 HA VAL 29 HA VAL 29 32.468 19.305 21.746
217 HB VAL 29 HB VAL 29 33.788 20.740 20.171
218 HG11 VAL 29 HG11 VAL 29 31.910 19.280 19.471
219 HG12 VAL 29 HG12 VAL 29 30.789 20.644 19.668
220 HG13 VAL 29 HG13 VAL 29 32.087 20.712 18.452
221 HG21 VAL 29 HG21 VAL 29 32.939 22.860 19.440
222 HG22 VAL 29 HG22 VAL 29 31.596 22.803 20.610
223 HG23 VAL 29 HG23 VAL 29 33.269 22.975 21.165
224 H TYR 30 H TYR 30 34.272 18.655 22.563
225 HA TYR 30 HA TYR 30 35.684 19.965 24.765
226 HB2 TYR 30 HB2 TYR 30 35.923 17.882 25.287
227 HB3 TYR 30 HB3 TYR 30 35.196 17.333 23.789
228 HD1 TYR 30 HD1 TYR 30 36.526 16.655 21.901
229 HD2 TYR 30 HD2 TYR 30 38.330 18.349 25.426
230 HE1 TYR 30 HE1 TYR 30 38.735 16.321 20.913
231 HE2 TYR 30 HE2 TYR 30 40.536 18.103 24.419
232 HH TYR 30 HH TYR 30 41.019 16.461 21.227
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 12.579 27.361 15.192
2 H2 ALA 1 H2 ALA 1 11.029 27.193 15.724
3 H3 ALA 1 H3 ALA 1 12.064 25.923 15.818
4 HA ALA 1 HA ALA 1 12.081 28.399 17.375
5 HB1 ALA 1 HB1 ALA 1 12.150 25.496 18.309
6 HB2 ALA 1 HB2 ALA 1 11.983 26.946 19.318
7 HB3 ALA 1 HB3 ALA 1 10.680 26.488 18.211
8 H PHE 2 H PHE 2 13.964 29.320 17.800
9 HA PHE 2 HA PHE 2 16.262 28.530 16.428
10 HB2 PHE 2 HB2 PHE 2 16.097 30.433 18.792
11 HB3 PHE 2 HB3 PHE 2 17.346 30.396 17.552
12 HD1 PHE 2 HD1 PHE 2 16.783 30.992 15.162
13 HD2 PHE 2 HD2 PHE 2 14.026 31.633 18.421
14 HE1 PHE 2 HE1 PHE 2 15.468 32.555 13.753
15 HE2 PHE 2 HE2 PHE 2 12.717 33.188 17.004
16 HZ PHE 2 HZ PHE 2 13.428 33.647 14.661
17 H CYS 3 H CYS 3 18.422 28.113 17.121
18 HA CYS 3 HA CYS 3 18.739 25.939 18.931
19 HB2 CYS 3 HB2 CYS 3 21.080 26.141 18.454
20 HB3 CYS 3 HB3 CYS 3 20.193 26.461 16.986
21 H ASN 4 H ASN 4 19.258 25.798 21.077
22 HA ASN 4 HA ASN 4 18.814 28.200 22.701
23 HB2 ASN 4 HB2 ASN 4 19.247 25.292 23.521
24 HB3 ASN 4 HB3 ASN 4 18.688 26.601 24.563
25 HD21 ASN 4 HD21 ASN 4 15.556 26.600 22.350
26 HD22 ASN 4 HD22 ASN 4 16.870 27.742 22.438
27 H LEU 5 H LEU 5 21.028 28.915 21.579
28 HA LEU 5 HA LEU 5 23.479 27.796 22.216
29 HB2 LEU 5 HB2 LEU 5 23.045 29.429 20.472
30 HB3 LEU 5 HB3 LEU 5 22.760 30.695 21.643
31 HG LEU 5 HG LEU 5 24.922 30.748 20.403
32 HD11 LEU 5 HD11 LEU 5 24.622 31.996 22.530
33 HD12 LEU 5 HD12 LEU 5 25.410 30.648 23.396
34 HD13 LEU 5 HD13 LEU 5 26.285 31.547 22.166
35 HD21 LEU 5 HD21 LEU 5 26.774 29.347 21.022
36 HD22 LEU 5 HD22 LEU 5 25.814 28.487 22.232
37 HD23 LEU 5 HD23 LEU 5 25.441 28.312 20.502
38 H ARG 6 H ARG 6 21.925 30.406 24.160
39 HA ARG 6 HA ARG 6 24.262 30.656 25.888
40 HB2 ARG 6 HB2 ARG 6 21.430 31.753 26.201
41 HB3 ARG 6 HB3 ARG 6 22.761 32.082 27.292
42 HG2 ARG 6 HG2 ARG 6 22.797 33.948 25.925
43 HG3 ARG 6 HG3 ARG 6 24.065 32.937 25.227
44 HD2 ARG 6 HD2 ARG 6 22.365 32.165 23.503
45 HD3 ARG 6 HD3 ARG 6 21.216 33.316 24.197
46 HE ARG 6 HE ARG 6 23.641 34.676 23.547
47 HH11 ARG 6 HH11 ARG 6 21.184 32.922 21.717
48 HH12 ARG 6 HH12 ARG 6 21.517 33.832 20.262
49 HH21 ARG 6 HH21 ARG 6 23.720 35.993 21.761
50 HH22 ARG 6 HH22 ARG 6 22.808 35.567 20.324
51 H ARG 7 H ARG 7 21.170 28.962 26.231
52 HA ARG 7 HA ARG 7 21.736 27.898 28.904
53 HB2 ARG 7 HB2 ARG 7 19.696 27.205 26.752
54 HB3 ARG 7 HB3 ARG 7 19.753 26.433 28.346
55 HG2 ARG 7 HG2 ARG 7 19.465 28.576 29.469
56 HG3 ARG 7 HG3 ARG 7 19.458 29.451 27.945
57 HD2 ARG 7 HD2 ARG 7 17.447 27.255 28.540
58 HD3 ARG 7 HD3 ARG 7 17.194 28.939 29.029
59 HE ARG 7 HE ARG 7 17.835 29.119 26.340
60 HH11 ARG 7 HH11 ARG 7 15.244 27.590 28.148
61 HH12 ARG 7 HH12 ARG 7 14.105 27.777 26.820
62 HH21 ARG 7 HH21 ARG 7 16.257 29.589 24.864
63 HH22 ARG 7 HH22 ARG 7 14.621 29.064 25.120
64 H CYS 8 H CYS 8 22.378 26.816 25.660
65 HA CYS 8 HA CYS 8 23.286 24.142 26.240
66 HB2 CYS 8 HB2 CYS 8 22.572 24.803 24.052
67 HB3 CYS 8 HB3 CYS 8 23.690 26.149 24.026
68 H GLU 9 H GLU 9 25.149 27.221 25.632
69 HA GLU 9 HA GLU 9 27.710 26.346 26.337
70 HB2 GLU 9 HB2 GLU 9 26.253 28.979 26.521
71 HB3 GLU 9 HB3 GLU 9 27.826 28.857 27.293
72 HG2 GLU 9 HG2 GLU 9 27.533 27.956 24.417
73 HG3 GLU 9 HG3 GLU 9 27.623 29.674 24.810
74 H LEU 10 H LEU 10 25.311 27.726 28.687
75 HA LEU 10 HA LEU 10 27.107 27.364 30.896
76 HB2 LEU 10 HB2 LEU 10 25.449 28.175 32.264
77 HB3 LEU 10 HB3 LEU 10 25.154 28.911 30.706
78 HG LEU 10 HG LEU 10 23.400 26.971 30.418
79 HD11 LEU 10 HD11 LEU 10 23.967 25.750 32.534
80 HD12 LEU 10 HD12 LEU 10 23.541 27.198 33.454
81 HD13 LEU 10 HD13 LEU 10 22.302 26.331 32.525
82 HD21 LEU 10 HD21 LEU 10 22.944 29.317 32.301
83 HD22 LEU 10 HD22 LEU 10 22.829 29.356 30.531
84 HD23 LEU 10 HD23 LEU 10 21.671 28.401 31.464
85 H SER 11 H SER 11 24.872 25.156 29.417
86 HA SER 11 HA SER 11 25.016 23.103 31.505
87 HB2 SER 11 HB2 SER 11 24.116 22.880 28.607
88 HB3 SER 11 HB3 SER 11 23.868 21.680 29.890
89 HG SER 11 HG SER 11 22.715 24.237 29.542
90 H CYS 12 H CYS 12 26.643 23.618 28.332
91 HA CYS 12 HA CYS 12 28.192 21.198 28.393
92 HB2 CYS 12 HB2 CYS 12 28.712 23.855 26.997
93 HB3 CYS 12 HB3 CYS 12 29.507 22.321 26.616
94 H ARG 13 H ARG 13 28.861 24.534 29.577
95 HA ARG 13 HA ARG 13 31.530 24.083 30.463
96 HB2 ARG 13 HB2 ARG 13 29.323 26.058 31.144
97 HB3 ARG 13 HB3 ARG 13 30.936 26.155 31.844
98 HG2 ARG 13 HG2 ARG 13 31.993 26.478 29.715
99 HG3 ARG 13 HG3 ARG 13 30.537 26.019 28.832
100 HD2 ARG 13 HD2 ARG 13 29.369 28.023 29.735
101 HD3 ARG 13 HD3 ARG 13 30.868 28.533 30.508
102 HE ARG 13 HE ARG 13 30.449 28.207 27.540
103 HH11 ARG 13 HH11 ARG 13 32.362 29.841 30.080
104 HH12 ARG 13 HH12 ARG 13 33.040 30.904 28.866
105 HH21 ARG 13 HH21 ARG 13 31.280 29.751 26.230
106 HH22 ARG 13 HH22 ARG 13 32.525 30.840 26.876
107 H SER 14 H SER 14 28.449 23.390 32.066
108 HA SER 14 HA SER 14 29.586 22.629 34.602
109 HB2 SER 14 HB2 SER 14 27.166 23.020 34.214
110 HB3 SER 14 HB3 SER 14 27.091 21.529 33.265
111 HG SER 14 HG SER 14 26.854 20.522 35.068
112 H LEU 15 H LEU 15 29.134 20.746 31.562
113 HA LEU 15 HA LEU 15 30.284 18.290 32.637
114 HB2 LEU 15 HB2 LEU 15 30.284 19.124 29.729
115 HB3 LEU 15 HB3 LEU 15 30.343 17.495 30.385
116 HG LEU 15 HG LEU 15 28.008 19.405 30.304
117 HD11 LEU 15 HD11 LEU 15 27.004 17.737 28.812
118 HD12 LEU 15 HD12 LEU 15 28.549 18.318 28.175
119 HD13 LEU 15 HD13 LEU 15 28.456 16.720 28.949
120 HD21 LEU 15 HD21 LEU 15 28.177 16.587 31.492
121 HD22 LEU 15 HD22 LEU 15 27.819 18.079 32.383
122 HD23 LEU 15 HD23 LEU 15 26.654 17.458 31.204
123 H GLY 16 H GLY 16 31.665 21.280 31.763
124 HA2 GLY 16 HA2 GLY 16 33.894 21.941 31.847
125 HA3 GLY 16 HA3 GLY 16 34.434 20.265 31.869
126 H LEU 17 H LEU 17 32.159 21.338 29.381
127 HA LEU 17 HA LEU 17 34.374 21.556 27.361
128 HB2 LEU 17 HB2 LEU 17 31.637 21.111 26.319
129 HB3 LEU 17 HB3 LEU 17 33.184 20.487 25.757
130 HG LEU 17 HG LEU 17 31.548 19.489 28.056
131 HD11 LEU 17 HD11 LEU 17 31.268 17.408 26.566
132 HD12 LEU 17 HD12 LEU 17 30.252 18.813 26.383
133 HD13 LEU 17 HD13 LEU 17 31.614 18.534 25.238
134 HD21 LEU 17 HD21 LEU 17 33.036 17.505 28.090
135 HD22 LEU 17 HD22 LEU 17 33.869 18.100 26.636
136 HD23 LEU 17 HD23 LEU 17 34.075 18.930 28.184
137 H LEU 18 H LEU 18 33.025 22.735 25.373
138 HA LEU 18 HA LEU 18 31.773 25.262 26.384
139 HB2 LEU 18 HB2 LEU 18 33.647 24.856 24.022
140 HB3 LEU 18 HB3 LEU 18 32.644 26.291 24.204
141 HG LEU 18 HG LEU 18 34.514 25.425 26.398
142 HD11 LEU 18 HD11 LEU 18 35.176 27.291 24.080
143 HD12 LEU 18 HD12 LEU 18 36.204 26.989 25.499
144 HD13 LEU 18 HD13 LEU 18 35.881 25.676 24.356
145 HD21 LEU 18 HD21 LEU 18 32.840 27.112 26.990
146 HD22 LEU 18 HD22 LEU 18 34.466 27.798 27.016
147 HD23 LEU 18 HD23 LEU 18 33.388 28.139 25.646
148 H GLY 19 H GLY 19 30.334 26.170 24.699
149 HA2 GLY 19 HA2 GLY 19 28.816 23.988 23.260
150 HA3 GLY 19 HA3 GLY 19 28.057 25.356 24.017
151 H LYS 20 H LYS 20 27.990 24.282 21.235
152 HA LYS 20 HA LYS 20 28.513 26.772 19.691
153 HB2 LYS 20 HB2 LYS 20 30.423 25.415 19.201
154 HB3 LYS 20 HB3 LYS 20 29.435 23.957 19.018
155 HG2 LYS 20 HG2 LYS 20 28.404 24.834 16.982
156 HG3 LYS 20 HG3 LYS 20 29.272 26.363 17.147
157 HD2 LYS 20 HD2 LYS 20 30.673 23.664 16.836
158 HD3 LYS 20 HD3 LYS 20 30.144 24.652 15.469
159 HE2 LYS 20 HE2 LYS 20 31.479 26.566 16.355
160 HE3 LYS 20 HE3 LYS 20 32.139 25.505 17.611
161 HZ1 LYS 20 HZ1 LYS 20 33.440 25.789 15.418
162 HZ2 LYS 20 HZ2 LYS 20 33.253 24.237 15.962
163 HZ3 LYS 20 HZ3 LYS 20 32.321 24.801 14.740
164 H CYS 21 H CYS 21 26.854 27.369 18.452
165 HA CYS 21 HA CYS 21 24.481 25.625 18.131
166 HB2 CYS 21 HB2 CYS 21 23.988 27.842 18.738
167 HB3 CYS 21 HB3 CYS 21 25.050 28.518 17.494
168 H ILE 22 H ILE 22 23.917 24.563 16.387
169 HA ILE 22 HA ILE 22 25.336 24.827 13.780
170 HB ILE 22 HB ILE 22 25.049 22.543 13.471
171 HG12 ILE 22 HG12 ILE 22 24.233 21.979 16.324
172 HG13 ILE 22 HG13 ILE 22 22.988 22.359 15.128
173 HG21 ILE 22 HG21 ILE 22 27.122 23.388 14.542
174 HG22 ILE 22 HG22 ILE 22 26.458 22.963 16.132
175 HG23 ILE 22 HG23 ILE 22 26.786 21.700 14.933
176 HD11 ILE 22 HD11 ILE 22 25.053 20.157 14.821
177 HD12 ILE 22 HD12 ILE 22 23.331 19.943 15.217
178 HD13 ILE 22 HD13 ILE 22 23.810 20.608 13.635
179 H GLY 23 H GLY 23 23.510 23.211 12.344
180 HA2 GLY 23 HA2 GLY 23 21.419 24.964 11.635
181 HA3 GLY 23 HA3 GLY 23 21.494 23.251 11.243
182 H GLU 24 H GLU 24 20.214 25.648 13.364
183 HA GLU 24 HA GLU 24 18.593 25.841 14.838
184 HB2 GLU 24 HB2 GLU 24 17.158 23.512 13.580
185 HB3 GLU 24 HB3 GLU 24 16.462 24.912 14.385
186 HG2 GLU 24 HG2 GLU 24 17.790 24.804 11.658
187 HG3 GLU 24 HG3 GLU 24 16.086 25.030 12.010
188 H GLU 25 H GLU 25 20.744 23.882 15.676
189 HA GLU 25 HA GLU 25 19.489 23.606 18.259
190 HB2 GLU 25 HB2 GLU 25 19.813 21.410 18.735
191 HB3 GLU 25 HB3 GLU 25 19.008 21.367 17.181
192 HG2 GLU 25 HG2 GLU 25 21.028 20.642 16.077
193 HG3 GLU 25 HG3 GLU 25 22.034 21.048 17.476
194 H CYS 26 H CYS 26 21.184 22.977 19.968
195 HA CYS 26 HA CYS 26 23.929 23.811 19.128
196 HB2 CYS 26 HB2 CYS 26 22.850 25.626 20.300
197 HB3 CYS 26 HB3 CYS 26 22.436 24.574 21.650
198 H LYS 27 H LYS 27 25.628 22.712 19.860
199 HA LYS 27 HA LYS 27 25.196 20.415 21.720
200 HB2 LYS 27 HB2 LYS 27 26.336 18.887 20.404
201 HB3 LYS 27 HB3 LYS 27 25.190 19.653 19.309
202 HG2 LYS 27 HG2 LYS 27 27.135 21.146 18.551
203 HG3 LYS 27 HG3 LYS 27 28.201 20.118 19.534
204 HD2 LYS 27 HD2 LYS 27 26.382 19.044 17.325
205 HD3 LYS 27 HD3 LYS 27 28.047 19.549 17.038
206 HE2 LYS 27 HE2 LYS 27 28.940 17.877 18.486
207 HE3 LYS 27 HE3 LYS 27 27.352 17.453 19.133
208 HZ1 LYS 27 HZ1 LYS 27 26.765 16.396 17.150
209 HZ2 LYS 27 HZ2 LYS 27 27.929 17.108 16.251
210 HZ3 LYS 27 HZ3 LYS 27 28.345 15.955 17.336
211 H CYS 28 H CYS 28 27.171 19.606 22.669
212 HA CYS 28 HA CYS 28 28.948 21.854 23.371
213 HB2 CYS 28 HB2 CYS 28 29.063 19.071 24.476
214 HB3 CYS 28 HB3 CYS 28 29.725 20.555 25.143
215 H VAL 29 H VAL 29 31.212 21.660 23.381
216 HA VAL 29 HA VAL 29 32.599 19.675 21.710
217 HB VAL 29 HB VAL 29 33.682 21.666 20.453
218 HG11 VAL 29 HG11 VAL 29 30.888 20.830 19.607
219 HG12 VAL 29 HG12 VAL 29 32.196 21.429 18.576
220 HG13 VAL 29 HG13 VAL 29 32.362 19.861 19.379
221 HG21 VAL 29 HG21 VAL 29 32.490 23.500 21.642
222 HG22 VAL 29 HG22 VAL 29 32.195 23.525 19.894
223 HG23 VAL 29 HG23 VAL 29 30.947 22.918 20.983
224 H TYR 30 H TYR 30 34.528 19.314 22.493
225 HA TYR 30 HA TYR 30 35.552 20.489 24.891
226 HB2 TYR 30 HB2 TYR 30 36.661 18.625 22.785
227 HB3 TYR 30 HB3 TYR 30 37.726 19.284 24.002
228 HD1 TYR 30 HD1 TYR 30 37.260 18.923 26.454
229 HD2 TYR 30 HD2 TYR 30 35.305 16.689 23.335
230 HE1 TYR 30 HE1 TYR 30 36.698 17.127 28.093
231 HE2 TYR 30 HE2 TYR 30 34.731 14.904 24.971
232 HH TYR 30 HH TYR 30 35.220 14.068 27.128
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 12.834 27.253 14.296
2 H2 ALA 1 H2 ALA 1 12.722 28.885 14.187
3 H3 ALA 1 H3 ALA 1 11.374 28.015 14.475
4 HA ALA 1 HA ALA 1 12.150 29.158 16.431
5 HB1 ALA 1 HB1 ALA 1 10.895 27.042 16.701
6 HB2 ALA 1 HB2 ALA 1 12.431 26.141 16.669
7 HB3 ALA 1 HB3 ALA 1 12.095 27.277 17.989
8 H PHE 2 H PHE 2 13.861 29.917 17.611
9 HA PHE 2 HA PHE 2 16.438 29.575 16.349
10 HB2 PHE 2 HB2 PHE 2 15.688 31.120 18.853
11 HB3 PHE 2 HB3 PHE 2 17.183 31.296 17.936
12 HD1 PHE 2 HD1 PHE 2 13.803 32.474 18.277
13 HD2 PHE 2 HD2 PHE 2 16.982 31.938 15.419
14 HE1 PHE 2 HE1 PHE 2 12.706 34.091 16.748
15 HE2 PHE 2 HE2 PHE 2 15.885 33.561 13.895
16 HZ PHE 2 HZ PHE 2 13.735 34.634 14.555
17 H CYS 3 H CYS 3 18.467 29.047 17.293
18 HA CYS 3 HA CYS 3 18.451 26.869 19.272
19 HB2 CYS 3 HB2 CYS 3 20.835 26.733 18.785
20 HB3 CYS 3 HB3 CYS 3 19.878 26.712 17.317
21 H ASN 4 H ASN 4 19.046 27.024 21.384
22 HA ASN 4 HA ASN 4 19.176 29.747 22.573
23 HB2 ASN 4 HB2 ASN 4 18.391 26.995 23.599
24 HB3 ASN 4 HB3 ASN 4 18.716 28.339 24.695
25 HD21 ASN 4 HD21 ASN 4 15.210 28.374 22.717
26 HD22 ASN 4 HD22 ASN 4 16.267 26.962 22.680
27 H LEU 5 H LEU 5 21.350 30.183 21.947
28 HA LEU 5 HA LEU 5 23.467 28.370 22.530
29 HB2 LEU 5 HB2 LEU 5 23.459 30.043 20.708
30 HB3 LEU 5 HB3 LEU 5 23.577 31.340 21.899
31 HG LEU 5 HG LEU 5 25.801 30.503 22.613
32 HD11 LEU 5 HD11 LEU 5 25.411 28.435 20.409
33 HD12 LEU 5 HD12 LEU 5 26.963 28.812 21.193
34 HD13 LEU 5 HD13 LEU 5 25.660 28.118 22.149
35 HD21 LEU 5 HD21 LEU 5 25.619 32.169 20.817
36 HD22 LEU 5 HD22 LEU 5 27.001 31.098 20.538
37 HD23 LEU 5 HD23 LEU 5 25.508 30.873 19.603
38 H ARG 6 H ARG 6 22.318 31.209 24.419
39 HA ARG 6 HA ARG 6 24.556 31.215 26.255
40 HB2 ARG 6 HB2 ARG 6 21.721 32.203 26.698
41 HB3 ARG 6 HB3 ARG 6 23.088 32.497 27.772
42 HG2 ARG 6 HG2 ARG 6 24.214 33.592 25.688
43 HG3 ARG 6 HG3 ARG 6 22.579 33.621 25.008
44 HD2 ARG 6 HD2 ARG 6 23.567 34.940 27.576
45 HD3 ARG 6 HD3 ARG 6 23.043 35.746 26.085
46 HE ARG 6 HE ARG 6 20.956 34.081 27.252
47 HH11 ARG 6 HH11 ARG 6 22.449 37.230 27.790
48 HH12 ARG 6 HH12 ARG 6 20.961 37.862 28.477
49 HH21 ARG 6 HH21 ARG 6 19.134 35.030 27.948
50 HH22 ARG 6 HH22 ARG 6 19.108 36.709 28.422
51 H ARG 7 H ARG 7 21.347 29.664 26.472
52 HA ARG 7 HA ARG 7 21.864 28.328 29.020
53 HB2 ARG 7 HB2 ARG 7 19.803 27.887 26.820
54 HB3 ARG 7 HB3 ARG 7 19.871 26.909 28.290
55 HG2 ARG 7 HG2 ARG 7 19.549 28.896 29.700
56 HG3 ARG 7 HG3 ARG 7 19.559 29.933 28.271
57 HD2 ARG 7 HD2 ARG 7 17.263 29.618 28.905
58 HD3 ARG 7 HD3 ARG 7 17.545 28.746 27.404
59 HE ARG 7 HE ARG 7 17.238 26.704 28.465
60 HH11 ARG 7 HH11 ARG 7 17.308 29.205 30.953
61 HH12 ARG 7 HH12 ARG 7 16.632 28.142 32.160
62 HH21 ARG 7 HH21 ARG 7 16.222 25.448 30.061
63 HH22 ARG 7 HH22 ARG 7 16.027 26.093 31.664
64 H CYS 8 H CYS 8 22.387 27.385 25.637
65 HA CYS 8 HA CYS 8 23.155 24.671 26.148
66 HB2 CYS 8 HB2 CYS 8 22.553 25.484 23.945
67 HB3 CYS 8 HB3 CYS 8 23.873 26.646 23.973
68 H GLU 9 H GLU 9 25.234 27.635 25.746
69 HA GLU 9 HA GLU 9 27.731 26.488 26.350
70 HB2 GLU 9 HB2 GLU 9 26.494 29.224 26.772
71 HB3 GLU 9 HB3 GLU 9 28.108 28.912 27.379
72 HG2 GLU 9 HG2 GLU 9 27.465 28.303 24.479
73 HG3 GLU 9 HG3 GLU 9 27.785 29.957 25.009
74 H LEU 10 H LEU 10 25.305 27.799 28.709
75 HA LEU 10 HA LEU 10 26.824 27.375 31.043
76 HB2 LEU 10 HB2 LEU 10 25.134 29.064 30.795
77 HB3 LEU 10 HB3 LEU 10 23.963 27.910 30.153
78 HG LEU 10 HG LEU 10 23.815 26.819 32.262
79 HD11 LEU 10 HD11 LEU 10 24.670 27.904 34.335
80 HD12 LEU 10 HD12 LEU 10 26.023 27.553 33.239
81 HD13 LEU 10 HD13 LEU 10 25.396 29.198 33.351
82 HD21 LEU 10 HD21 LEU 10 22.497 28.618 33.409
83 HD22 LEU 10 HD22 LEU 10 23.214 29.803 32.293
84 HD23 LEU 10 HD23 LEU 10 22.168 28.507 31.670
85 H SER 11 H SER 11 24.726 25.261 29.142
86 HA SER 11 HA SER 11 24.575 23.124 31.148
87 HB2 SER 11 HB2 SER 11 22.728 23.504 29.635
88 HB3 SER 11 HB3 SER 11 23.786 23.317 28.223
89 HG SER 11 HG SER 11 22.489 21.432 28.846
90 H CYS 12 H CYS 12 26.519 23.778 28.186
91 HA CYS 12 HA CYS 12 27.959 21.275 28.265
92 HB2 CYS 12 HB2 CYS 12 28.755 23.935 27.027
93 HB3 CYS 12 HB3 CYS 12 29.473 22.366 26.656
94 H ARG 13 H ARG 13 28.485 24.428 29.881
95 HA ARG 13 HA ARG 13 31.113 23.983 30.862
96 HB2 ARG 13 HB2 ARG 13 29.797 26.117 30.895
97 HB3 ARG 13 HB3 ARG 13 28.817 25.462 32.210
98 HG2 ARG 13 HG2 ARG 13 30.896 25.295 33.622
99 HG3 ARG 13 HG3 ARG 13 31.839 25.927 32.268
100 HD2 ARG 13 HD2 ARG 13 31.436 27.695 33.831
101 HD3 ARG 13 HD3 ARG 13 30.510 28.040 32.357
102 HE ARG 13 HE ARG 13 28.697 26.674 33.918
103 HH11 ARG 13 HH11 ARG 13 30.609 29.550 34.655
104 HH12 ARG 13 HH12 ARG 13 29.447 30.060 35.863
105 HH21 ARG 13 HH21 ARG 13 27.399 27.338 35.449
106 HH22 ARG 13 HH22 ARG 13 27.655 28.891 36.267
107 H SER 14 H SER 14 28.077 22.546 31.945
108 HA SER 14 HA SER 14 28.998 21.442 34.424
109 HB2 SER 14 HB2 SER 14 26.897 20.324 32.525
110 HB3 SER 14 HB3 SER 14 27.050 20.006 34.263
111 HG SER 14 HG SER 14 25.488 21.743 33.574
112 H LEU 15 H LEU 15 29.525 20.412 31.088
113 HA LEU 15 HA LEU 15 30.813 17.872 31.907
114 HB2 LEU 15 HB2 LEU 15 30.886 19.160 29.180
115 HB3 LEU 15 HB3 LEU 15 31.132 17.469 29.599
116 HG LEU 15 HG LEU 15 28.548 19.030 29.484
117 HD11 LEU 15 HD11 LEU 15 27.951 17.359 27.784
118 HD12 LEU 15 HD12 LEU 15 29.418 18.249 27.345
119 HD13 LEU 15 HD13 LEU 15 29.538 16.586 27.974
120 HD21 LEU 15 HD21 LEU 15 28.373 17.475 31.427
121 HD22 LEU 15 HD22 LEU 15 27.420 16.850 30.082
122 HD23 LEU 15 HD23 LEU 15 29.008 16.148 30.430
123 H GLY 16 H GLY 16 31.631 21.192 31.516
124 HA2 GLY 16 HA2 GLY 16 33.660 22.269 31.910
125 HA3 GLY 16 HA3 GLY 16 34.533 20.737 31.821
126 H LEU 17 H LEU 17 32.241 21.904 29.303
127 HA LEU 17 HA LEU 17 34.444 22.854 27.616
128 HB2 LEU 17 HB2 LEU 17 33.575 21.426 25.686
129 HB3 LEU 17 HB3 LEU 17 34.658 20.707 26.852
130 HG LEU 17 HG LEU 17 31.802 20.292 27.535
131 HD11 LEU 17 HD11 LEU 17 31.234 18.759 25.828
132 HD12 LEU 17 HD12 LEU 17 31.688 20.298 25.055
133 HD13 LEU 17 HD13 LEU 17 32.818 18.938 25.029
134 HD21 LEU 17 HD21 LEU 17 33.714 19.022 28.557
135 HD22 LEU 17 HD22 LEU 17 32.606 17.926 27.703
136 HD23 LEU 17 HD23 LEU 17 34.139 18.400 26.948
137 H LEU 18 H LEU 18 33.679 23.603 25.450
138 HA LEU 18 HA LEU 18 31.684 25.679 25.871
139 HB2 LEU 18 HB2 LEU 18 33.414 24.822 23.519
140 HB3 LEU 18 HB3 LEU 18 32.283 26.165 23.396
141 HG LEU 18 HG LEU 18 34.379 26.109 25.560
142 HD11 LEU 18 HD11 LEU 18 34.644 27.264 22.750
143 HD12 LEU 18 HD12 LEU 18 35.804 27.487 24.076
144 HD13 LEU 18 HD13 LEU 18 35.549 25.873 23.398
145 HD21 LEU 18 HD21 LEU 18 32.876 28.381 24.208
146 HD22 LEU 18 HD22 LEU 18 32.601 27.763 25.852
147 HD23 LEU 18 HD23 LEU 18 34.131 28.561 25.453
148 H GLY 19 H GLY 19 29.996 26.151 24.486
149 HA2 GLY 19 HA2 GLY 19 28.699 23.882 22.996
150 HA3 GLY 19 HA3 GLY 19 27.774 25.031 23.942
151 H LYS 20 H LYS 20 27.862 24.277 20.979
152 HA LYS 20 HA LYS 20 27.847 27.044 19.882
153 HB2 LYS 20 HB2 LYS 20 29.103 26.523 17.984
154 HB3 LYS 20 HB3 LYS 20 30.042 26.048 19.401
155 HG2 LYS 20 HG2 LYS 20 29.220 23.651 19.013
156 HG3 LYS 20 HG3 LYS 20 28.530 24.206 17.482
157 HD2 LYS 20 HD2 LYS 20 31.441 24.317 18.311
158 HD3 LYS 20 HD3 LYS 20 30.724 23.190 17.140
159 HE2 LYS 20 HE2 LYS 20 30.062 25.253 15.770
160 HE3 LYS 20 HE3 LYS 20 31.036 26.206 16.911
161 HZ1 LYS 20 HZ1 LYS 20 32.443 25.735 15.136
162 HZ2 LYS 20 HZ2 LYS 20 32.909 24.637 16.275
163 HZ3 LYS 20 HZ3 LYS 20 31.999 24.166 15.004
164 H CYS 21 H CYS 21 26.407 27.480 18.261
165 HA CYS 21 HA CYS 21 24.067 25.761 18.109
166 HB2 CYS 21 HB2 CYS 21 23.846 28.149 18.276
167 HB3 CYS 21 HB3 CYS 21 24.814 28.400 16.820
168 H ILE 22 H ILE 22 23.332 24.511 16.487
169 HA ILE 22 HA ILE 22 24.959 24.103 14.025
170 HB ILE 22 HB ILE 22 24.400 21.858 14.102
171 HG12 ILE 22 HG12 ILE 22 23.097 22.002 16.826
172 HG13 ILE 22 HG13 ILE 22 22.115 22.266 15.378
173 HG21 ILE 22 HG21 ILE 22 25.439 22.631 16.859
174 HG22 ILE 22 HG22 ILE 22 25.738 21.117 15.981
175 HG23 ILE 22 HG23 ILE 22 26.392 22.633 15.363
176 HD11 ILE 22 HD11 ILE 22 22.042 19.913 15.958
177 HD12 ILE 22 HD12 ILE 22 22.914 20.149 14.422
178 HD13 ILE 22 HD13 ILE 22 23.821 19.817 15.912
179 H GLY 23 H GLY 23 22.330 25.698 14.710
180 HA2 GLY 23 HA2 GLY 23 21.021 26.246 12.525
181 HA3 GLY 23 HA3 GLY 23 20.477 24.569 12.654
182 H GLU 24 H GLU 24 18.899 24.044 14.088
183 HA GLU 24 HA GLU 24 17.716 26.171 15.834
184 HB2 GLU 24 HB2 GLU 24 16.441 23.580 14.859
185 HB3 GLU 24 HB3 GLU 24 15.677 24.870 15.801
186 HG2 GLU 24 HG2 GLU 24 16.448 26.410 13.787
187 HG3 GLU 24 HG3 GLU 24 16.519 24.886 12.894
188 H GLU 25 H GLU 25 19.940 23.889 16.119
189 HA GLU 25 HA GLU 25 19.345 23.296 18.971
190 HB2 GLU 25 HB2 GLU 25 19.826 21.404 16.710
191 HB3 GLU 25 HB3 GLU 25 20.886 21.126 18.077
192 HG2 GLU 25 HG2 GLU 25 17.855 21.223 18.156
193 HG3 GLU 25 HG3 GLU 25 18.871 19.789 18.285
194 H CYS 26 H CYS 26 21.380 22.433 20.077
195 HA CYS 26 HA CYS 26 23.836 23.754 19.113
196 HB2 CYS 26 HB2 CYS 26 22.693 25.488 20.339
197 HB3 CYS 26 HB3 CYS 26 22.452 24.427 21.724
198 H LYS 27 H LYS 27 25.675 22.786 19.669
199 HA LYS 27 HA LYS 27 25.551 20.142 21.082
200 HB2 LYS 27 HB2 LYS 27 25.603 19.925 18.666
201 HB3 LYS 27 HB3 LYS 27 26.842 21.177 18.532
202 HG2 LYS 27 HG2 LYS 27 28.469 19.679 19.672
203 HG3 LYS 27 HG3 LYS 27 27.254 18.379 19.665
204 HD2 LYS 27 HD2 LYS 27 27.256 18.314 17.238
205 HD3 LYS 27 HD3 LYS 27 28.125 19.868 17.142
206 HE2 LYS 27 HE2 LYS 27 30.021 18.834 18.382
207 HE3 LYS 27 HE3 LYS 27 29.230 17.254 18.225
208 HZ1 LYS 27 HZ1 LYS 27 30.873 17.707 16.463
209 HZ2 LYS 27 HZ2 LYS 27 29.370 17.514 15.796
210 HZ3 LYS 27 HZ3 LYS 27 30.039 19.015 15.969
211 H CYS 28 H CYS 28 27.298 19.604 22.408
212 HA CYS 28 HA CYS 28 29.100 21.831 23.128
213 HB2 CYS 28 HB2 CYS 28 28.989 19.156 24.508
214 HB3 CYS 28 HB3 CYS 28 29.636 20.686 25.090
215 H VAL 29 H VAL 29 31.361 21.745 23.019
216 HA VAL 29 HA VAL 29 32.662 19.423 21.689
217 HB VAL 29 HB VAL 29 33.891 21.019 20.174
218 HG11 VAL 29 HG11 VAL 29 32.176 19.423 19.376
219 HG12 VAL 29 HG12 VAL 29 30.929 20.673 19.597
220 HG13 VAL 29 HG13 VAL 29 32.232 20.910 18.415
221 HG21 VAL 29 HG21 VAL 29 32.878 23.076 19.501
222 HG22 VAL 29 HG22 VAL 29 31.490 22.847 20.589
223 HG23 VAL 29 HG23 VAL 29 33.103 23.172 21.247
224 H TYR 30 H TYR 30 34.516 18.907 22.505
225 HA TYR 30 HA TYR 30 35.657 20.013 24.818
226 HB2 TYR 30 HB2 TYR 30 36.675 18.102 22.707
227 HB3 TYR 30 HB3 TYR 30 37.713 18.638 24.006
228 HD1 TYR 30 HD1 TYR 30 34.149 17.330 23.764
229 HD2 TYR 30 HD2 TYR 30 37.966 17.160 25.753
230 HE1 TYR 30 HE1 TYR 30 33.288 15.560 25.250
231 HE2 TYR 30 HE2 TYR 30 37.113 15.348 27.224
232 HH TYR 30 HH TYR 30 35.305 13.995 27.764
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 10.982 31.959 15.836
2 H2 ALA 1 H2 ALA 1 11.357 30.384 15.488
3 H3 ALA 1 H3 ALA 1 12.220 31.598 14.804
4 HA ALA 1 HA ALA 1 13.067 32.290 16.915
5 HB1 ALA 1 HB1 ALA 1 12.722 30.875 18.896
6 HB2 ALA 1 HB2 ALA 1 11.180 31.528 18.311
7 HB3 ALA 1 HB3 ALA 1 11.609 29.834 17.984
8 H PHE 2 H PHE 2 15.138 31.953 16.642
9 HA PHE 2 HA PHE 2 16.162 29.408 15.558
10 HB2 PHE 2 HB2 PHE 2 17.552 32.022 16.140
11 HB3 PHE 2 HB3 PHE 2 18.212 30.685 15.221
12 HD1 PHE 2 HD1 PHE 2 16.085 29.927 13.352
13 HD2 PHE 2 HD2 PHE 2 17.308 33.844 14.680
14 HE1 PHE 2 HE1 PHE 2 15.198 30.915 11.259
15 HE2 PHE 2 HE2 PHE 2 16.472 34.826 12.568
16 HZ PHE 2 HZ PHE 2 15.402 33.366 10.853
17 H CYS 3 H CYS 3 18.410 28.781 16.423
18 HA CYS 3 HA CYS 3 17.872 27.538 18.873
19 HB2 CYS 3 HB2 CYS 3 20.198 26.636 18.595
20 HB3 CYS 3 HB3 CYS 3 19.111 26.432 17.231
21 H ASN 4 H ASN 4 19.037 27.309 20.740
22 HA ASN 4 HA ASN 4 19.449 29.792 22.155
23 HB2 ASN 4 HB2 ASN 4 19.577 26.856 22.977
24 HB3 ASN 4 HB3 ASN 4 19.713 28.205 24.106
25 HD21 ASN 4 HD21 ASN 4 16.033 27.281 22.633
26 HD22 ASN 4 HD22 ASN 4 17.454 26.469 21.981
27 H LEU 5 H LEU 5 21.200 30.463 23.409
28 HA LEU 5 HA LEU 5 23.877 29.463 22.543
29 HB2 LEU 5 HB2 LEU 5 23.023 31.397 21.213
30 HB3 LEU 5 HB3 LEU 5 23.097 32.388 22.660
31 HG LEU 5 HG LEU 5 25.494 30.964 21.428
32 HD11 LEU 5 HD11 LEU 5 24.550 32.631 19.883
33 HD12 LEU 5 HD12 LEU 5 24.604 33.861 21.168
34 HD13 LEU 5 HD13 LEU 5 26.108 33.160 20.529
35 HD21 LEU 5 HD21 LEU 5 26.771 32.706 22.743
36 HD22 LEU 5 HD22 LEU 5 25.263 33.145 23.557
37 HD23 LEU 5 HD23 LEU 5 25.972 31.520 23.758
38 H ARG 6 H ARG 6 22.649 31.924 24.917
39 HA ARG 6 HA ARG 6 24.762 31.437 26.791
40 HB2 ARG 6 HB2 ARG 6 21.968 32.386 27.398
41 HB3 ARG 6 HB3 ARG 6 23.394 32.561 28.430
42 HG2 ARG 6 HG2 ARG 6 24.465 33.953 26.611
43 HG3 ARG 6 HG3 ARG 6 22.945 33.896 25.721
44 HD2 ARG 6 HD2 ARG 6 23.455 35.127 28.435
45 HD3 ARG 6 HD3 ARG 6 23.052 35.970 26.929
46 HE ARG 6 HE ARG 6 20.972 34.092 27.612
47 HH11 ARG 6 HH11 ARG 6 22.046 37.296 28.644
48 HH12 ARG 6 HH12 ARG 6 20.449 37.643 29.294
49 HH21 ARG 6 HH21 ARG 6 19.067 34.652 28.500
50 HH22 ARG 6 HH22 ARG 6 18.937 36.098 29.444
51 H ARG 7 H ARG 7 21.489 29.991 26.656
52 HA ARG 7 HA ARG 7 21.905 28.181 28.895
53 HB2 ARG 7 HB2 ARG 7 19.857 28.289 26.655
54 HB3 ARG 7 HB3 ARG 7 19.863 27.009 27.871
55 HG2 ARG 7 HG2 ARG 7 19.625 28.575 29.690
56 HG3 ARG 7 HG3 ARG 7 19.760 29.966 28.607
57 HD2 ARG 7 HD2 ARG 7 17.576 27.864 28.338
58 HD3 ARG 7 HD3 ARG 7 17.420 29.305 29.362
59 HE ARG 7 HE ARG 7 18.197 30.011 26.661
60 HH11 ARG 7 HH11 ARG 7 15.379 29.037 28.489
61 HH12 ARG 7 HH12 ARG 7 14.294 30.012 27.520
62 HH21 ARG 7 HH21 ARG 7 16.803 31.151 25.444
63 HH22 ARG 7 HH22 ARG 7 15.084 31.165 25.809
64 H CYS 8 H CYS 8 22.840 27.936 25.558
65 HA CYS 8 HA CYS 8 23.353 25.053 25.635
66 HB2 CYS 8 HB2 CYS 8 22.900 26.202 23.511
67 HB3 CYS 8 HB3 CYS 8 24.298 27.243 23.746
68 H GLU 9 H GLU 9 25.408 28.027 25.786
69 HA GLU 9 HA GLU 9 27.869 26.814 26.389
70 HB2 GLU 9 HB2 GLU 9 26.627 29.467 27.185
71 HB3 GLU 9 HB3 GLU 9 28.278 29.073 27.606
72 HG2 GLU 9 HG2 GLU 9 27.322 28.895 24.723
73 HG3 GLU 9 HG3 GLU 9 27.783 30.431 25.446
74 H LEU 10 H LEU 10 25.438 27.958 28.842
75 HA LEU 10 HA LEU 10 26.974 27.004 31.037
76 HB2 LEU 10 HB2 LEU 10 25.302 27.765 32.382
77 HB3 LEU 10 HB3 LEU 10 25.134 28.739 30.934
78 HG LEU 10 HG LEU 10 23.304 26.934 30.284
79 HD11 LEU 10 HD11 LEU 10 23.389 26.762 33.327
80 HD12 LEU 10 HD12 LEU 10 22.066 26.175 32.304
81 HD13 LEU 10 HD13 LEU 10 23.649 25.409 32.208
82 HD21 LEU 10 HD21 LEU 10 22.812 28.982 32.471
83 HD22 LEU 10 HD22 LEU 10 22.883 29.347 30.735
84 HD23 LEU 10 HD23 LEU 10 21.590 28.311 31.374
85 H SER 11 H SER 11 24.721 25.305 28.964
86 HA SER 11 HA SER 11 24.472 22.892 30.556
87 HB2 SER 11 HB2 SER 11 22.906 23.489 28.710
88 HB3 SER 11 HB3 SER 11 24.246 23.270 27.551
89 HG SER 11 HG SER 11 22.700 21.421 27.959
90 H CYS 12 H CYS 12 26.809 24.045 28.127
91 HA CYS 12 HA CYS 12 28.198 21.503 28.004
92 HB2 CYS 12 HB2 CYS 12 29.070 24.239 27.044
93 HB3 CYS 12 HB3 CYS 12 29.766 22.670 26.599
94 H ARG 13 H ARG 13 28.650 24.442 30.073
95 HA ARG 13 HA ARG 13 31.086 23.657 31.288
96 HB2 ARG 13 HB2 ARG 13 28.643 24.787 32.706
97 HB3 ARG 13 HB3 ARG 13 30.322 24.900 33.185
98 HG2 ARG 13 HG2 ARG 13 28.989 26.303 30.891
99 HG3 ARG 13 HG3 ARG 13 29.619 27.029 32.359
100 HD2 ARG 13 HD2 ARG 13 31.907 26.545 31.672
101 HD3 ARG 13 HD3 ARG 13 31.349 25.631 30.263
102 HE ARG 13 HE ARG 13 30.864 28.557 30.692
103 HH11 ARG 13 HH11 ARG 13 31.096 25.915 28.303
104 HH12 ARG 13 HH12 ARG 13 30.658 27.097 27.056
105 HH21 ARG 13 HH21 ARG 13 30.769 29.854 28.908
106 HH22 ARG 13 HH22 ARG 13 30.700 29.081 27.325
107 H SER 14 H SER 14 27.813 22.323 31.817
108 HA SER 14 HA SER 14 28.485 20.644 34.013
109 HB2 SER 14 HB2 SER 14 26.386 20.254 31.859
110 HB3 SER 14 HB3 SER 14 26.462 19.373 33.382
111 HG SER 14 HG SER 14 26.088 21.166 34.510
112 H LEU 15 H LEU 15 29.367 20.280 30.656
113 HA LEU 15 HA LEU 15 30.306 17.474 31.091
114 HB2 LEU 15 HB2 LEU 15 30.638 19.168 28.618
115 HB3 LEU 15 HB3 LEU 15 30.801 17.424 28.767
116 HG LEU 15 HG LEU 15 28.316 19.136 28.657
117 HD11 LEU 15 HD11 LEU 15 27.838 17.801 26.683
118 HD12 LEU 15 HD12 LEU 15 29.466 18.485 26.563
119 HD13 LEU 15 HD13 LEU 15 29.255 16.775 26.985
120 HD21 LEU 15 HD21 LEU 15 28.440 16.143 29.266
121 HD22 LEU 15 HD22 LEU 15 27.822 17.396 30.360
122 HD23 LEU 15 HD23 LEU 15 26.963 17.044 28.856
123 H GLY 16 H GLY 16 31.342 20.777 30.900
124 HA2 GLY 16 HA2 GLY 16 33.351 21.652 31.789
125 HA3 GLY 16 HA3 GLY 16 34.180 20.138 31.447
126 H LEU 17 H LEU 17 32.127 21.764 29.020
127 HA LEU 17 HA LEU 17 34.519 22.680 27.511
128 HB2 LEU 17 HB2 LEU 17 32.609 21.665 25.620
129 HB3 LEU 17 HB3 LEU 17 34.307 21.286 25.786
130 HG LEU 17 HG LEU 17 32.162 19.937 27.389
131 HD11 LEU 17 HD11 LEU 17 31.553 19.667 25.052
132 HD12 LEU 17 HD12 LEU 17 33.170 19.036 24.683
133 HD13 LEU 17 HD13 LEU 17 32.067 18.139 25.758
134 HD21 LEU 17 HD21 LEU 17 34.906 18.998 26.413
135 HD22 LEU 17 HD22 LEU 17 34.566 19.490 28.076
136 HD23 LEU 17 HD23 LEU 17 33.803 18.035 27.422
137 H LEU 18 H LEU 18 33.672 23.656 25.377
138 HA LEU 18 HA LEU 18 31.957 26.000 25.932
139 HB2 LEU 18 HB2 LEU 18 33.768 25.146 23.671
140 HB3 LEU 18 HB3 LEU 18 32.553 26.388 23.388
141 HG LEU 18 HG LEU 18 34.630 26.588 25.579
142 HD11 LEU 18 HD11 LEU 18 34.582 27.854 22.802
143 HD12 LEU 18 HD12 LEU 18 35.799 28.152 24.062
144 HD13 LEU 18 HD13 LEU 18 35.669 26.548 23.320
145 HD21 LEU 18 HD21 LEU 18 34.056 29.029 25.450
146 HD22 LEU 18 HD22 LEU 18 32.713 28.617 24.368
147 HD23 LEU 18 HD23 LEU 18 32.731 28.035 26.044
148 H GLY 19 H GLY 19 30.276 26.585 24.424
149 HA2 GLY 19 HA2 GLY 19 28.878 24.255 23.113
150 HA3 GLY 19 HA3 GLY 19 28.012 25.444 24.069
151 H LYS 20 H LYS 20 27.977 24.536 21.147
152 HA LYS 20 HA LYS 20 27.586 27.246 19.966
153 HB2 LYS 20 HB2 LYS 20 29.152 24.956 18.673
154 HB3 LYS 20 HB3 LYS 20 28.517 26.350 17.790
155 HG2 LYS 20 HG2 LYS 20 29.815 27.874 19.226
156 HG3 LYS 20 HG3 LYS 20 30.531 26.471 20.061
157 HD2 LYS 20 HD2 LYS 20 31.582 25.741 17.944
158 HD3 LYS 20 HD3 LYS 20 30.866 27.143 17.110
159 HE2 LYS 20 HE2 LYS 20 31.997 28.664 18.731
160 HE3 LYS 20 HE3 LYS 20 32.728 27.277 19.534
161 HZ1 LYS 20 HZ1 LYS 20 33.219 28.064 16.706
162 HZ2 LYS 20 HZ2 LYS 20 34.239 28.339 17.971
163 HZ3 LYS 20 HZ3 LYS 20 33.970 26.810 17.509
164 H CYS 21 H CYS 21 25.891 27.349 18.429
165 HA CYS 21 HA CYS 21 24.081 25.045 18.344
166 HB2 CYS 21 HB2 CYS 21 23.125 27.221 18.434
167 HB3 CYS 21 HB3 CYS 21 24.035 27.758 17.020
168 H ILE 22 H ILE 22 24.076 23.464 16.895
169 HA ILE 22 HA ILE 22 25.361 23.739 14.226
170 HB ILE 22 HB ILE 22 25.740 21.426 16.163
171 HG12 ILE 22 HG12 ILE 22 27.247 23.296 16.711
172 HG13 ILE 22 HG13 ILE 22 28.095 21.865 16.167
173 HG21 ILE 22 HG21 ILE 22 25.489 20.499 13.954
174 HG22 ILE 22 HG22 ILE 22 26.602 21.691 13.256
175 HG23 ILE 22 HG23 ILE 22 27.199 20.445 14.374
176 HD11 ILE 22 HD11 ILE 22 29.085 23.954 15.283
177 HD12 ILE 22 HD12 ILE 22 28.547 22.878 13.984
178 HD13 ILE 22 HD13 ILE 22 27.583 24.308 14.414
179 H GLY 23 H GLY 23 23.874 23.268 12.731
180 HA2 GLY 23 HA2 GLY 23 21.988 22.427 11.715
181 HA3 GLY 23 HA3 GLY 23 22.151 20.994 12.738
182 H GLU 24 H GLU 24 21.443 24.402 13.595
183 HA GLU 24 HA GLU 24 19.736 25.438 14.630
184 HB2 GLU 24 HB2 GLU 24 17.877 23.220 13.765
185 HB3 GLU 24 HB3 GLU 24 17.459 24.879 14.133
186 HG2 GLU 24 HG2 GLU 24 19.139 23.995 11.737
187 HG3 GLU 24 HG3 GLU 24 17.428 24.339 11.725
188 H GLU 25 H GLU 25 21.155 23.079 16.078
189 HA GLU 25 HA GLU 25 19.591 23.252 18.605
190 HB2 GLU 25 HB2 GLU 25 20.415 20.800 17.065
191 HB3 GLU 25 HB3 GLU 25 20.619 20.734 18.801
192 HG2 GLU 25 HG2 GLU 25 17.985 21.399 17.432
193 HG3 GLU 25 HG3 GLU 25 18.455 19.795 17.995
194 H CYS 26 H CYS 26 20.871 22.970 20.532
195 HA CYS 26 HA CYS 26 23.582 23.901 20.441
196 HB2 CYS 26 HB2 CYS 26 22.095 24.224 22.352
197 HB3 CYS 26 HB3 CYS 26 21.962 22.482 22.568
198 H LYS 27 H LYS 27 25.477 22.911 20.351
199 HA LYS 27 HA LYS 27 25.850 20.028 20.983
200 HB2 LYS 27 HB2 LYS 27 25.789 20.328 18.479
201 HB3 LYS 27 HB3 LYS 27 27.041 21.557 18.624
202 HG2 LYS 27 HG2 LYS 27 28.232 19.666 17.946
203 HG3 LYS 27 HG3 LYS 27 28.535 19.734 19.669
204 HD2 LYS 27 HD2 LYS 27 28.073 17.458 19.326
205 HD3 LYS 27 HD3 LYS 27 26.524 18.072 19.888
206 HE2 LYS 27 HE2 LYS 27 25.931 16.761 18.046
207 HE3 LYS 27 HE3 LYS 27 25.955 18.385 17.361
208 HZ1 LYS 27 HZ1 LYS 27 28.309 17.827 16.596
209 HZ2 LYS 27 HZ2 LYS 27 28.033 16.277 17.079
210 HZ3 LYS 27 HZ3 LYS 27 27.128 16.952 15.894
211 H CYS 28 H CYS 28 27.453 19.794 22.472
212 HA CYS 28 HA CYS 28 29.093 22.145 23.181
213 HB2 CYS 28 HB2 CYS 28 29.006 19.442 24.522
214 HB3 CYS 28 HB3 CYS 28 29.771 20.914 25.111
215 H VAL 29 H VAL 29 31.338 22.203 23.192
216 HA VAL 29 HA VAL 29 32.734 20.214 21.487
217 HB VAL 29 HB VAL 29 33.679 22.038 20.119
218 HG11 VAL 29 HG11 VAL 29 31.779 20.656 19.320
219 HG12 VAL 29 HG12 VAL 29 30.650 21.887 19.931
220 HG13 VAL 29 HG13 VAL 29 31.789 22.292 18.637
221 HG21 VAL 29 HG21 VAL 29 31.519 23.805 21.342
222 HG22 VAL 29 HG22 VAL 29 33.276 24.011 21.536
223 HG23 VAL 29 HG23 VAL 29 32.538 24.204 19.944
224 H TYR 30 H TYR 30 34.690 19.726 22.024
225 HA TYR 30 HA TYR 30 36.213 20.999 24.147
226 HB2 TYR 30 HB2 TYR 30 36.764 18.889 22.060
227 HB3 TYR 30 HB3 TYR 30 38.077 19.642 22.943
228 HD1 TYR 30 HD1 TYR 30 38.537 19.273 25.231
229 HD2 TYR 30 HD2 TYR 30 35.146 17.395 23.334
230 HE1 TYR 30 HE1 TYR 30 38.388 17.651 27.111
231 HE2 TYR 30 HE2 TYR 30 34.986 15.783 25.229
232 HH TYR 30 HH TYR 30 35.722 15.332 27.401
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 12.342 30.388 15.150
2 H2 ALA 1 H2 ALA 1 11.307 29.489 16.056
3 H3 ALA 1 H3 ALA 1 12.477 28.745 15.137
4 HA ALA 1 HA ALA 1 12.962 30.525 17.415
5 HB1 ALA 1 HB1 ALA 1 13.401 27.510 17.280
6 HB2 ALA 1 HB2 ALA 1 13.664 28.569 18.678
7 HB3 ALA 1 HB3 ALA 1 12.024 28.267 18.085
8 H PHE 2 H PHE 2 15.057 31.019 17.878
9 HA PHE 2 HA PHE 2 17.215 30.308 15.954
10 HB2 PHE 2 HB2 PHE 2 17.107 32.120 18.398
11 HB3 PHE 2 HB3 PHE 2 18.562 31.812 17.464
12 HD1 PHE 2 HD1 PHE 2 15.409 33.662 17.557
13 HD2 PHE 2 HD2 PHE 2 18.772 32.562 15.094
14 HE1 PHE 2 HE1 PHE 2 14.869 35.507 15.989
15 HE2 PHE 2 HE2 PHE 2 18.210 34.387 13.511
16 HZ PHE 2 HZ PHE 2 16.255 35.864 13.957
17 H CYS 3 H CYS 3 19.323 29.641 16.990
18 HA CYS 3 HA CYS 3 19.247 27.242 18.500
19 HB2 CYS 3 HB2 CYS 3 21.105 27.888 17.089
20 HB3 CYS 3 HB3 CYS 3 21.332 29.379 18.008
21 H ASN 4 H ASN 4 18.930 26.862 20.621
22 HA ASN 4 HA ASN 4 18.580 28.977 22.610
23 HB2 ASN 4 HB2 ASN 4 18.485 25.946 22.793
24 HB3 ASN 4 HB3 ASN 4 18.090 27.041 24.119
25 HD21 ASN 4 HD21 ASN 4 15.345 26.405 21.174
26 HD22 ASN 4 HD22 ASN 4 17.030 25.977 20.873
27 H LEU 5 H LEU 5 20.912 29.579 21.963
28 HA LEU 5 HA LEU 5 23.150 28.079 22.660
29 HB2 LEU 5 HB2 LEU 5 23.037 29.893 21.043
30 HB3 LEU 5 HB3 LEU 5 22.775 31.076 22.300
31 HG LEU 5 HG LEU 5 25.032 31.004 21.235
32 HD11 LEU 5 HD11 LEU 5 25.185 30.639 24.241
33 HD12 LEU 5 HD12 LEU 5 26.298 31.507 23.183
34 HD13 LEU 5 HD13 LEU 5 24.653 32.117 23.407
35 HD21 LEU 5 HD21 LEU 5 25.482 28.495 22.892
36 HD22 LEU 5 HD22 LEU 5 25.359 28.561 21.125
37 HD23 LEU 5 HD23 LEU 5 26.696 29.378 21.948
38 H ARG 6 H ARG 6 21.674 30.725 24.675
39 HA ARG 6 HA ARG 6 23.817 30.722 26.564
40 HB2 ARG 6 HB2 ARG 6 20.965 31.692 26.695
41 HB3 ARG 6 HB3 ARG 6 22.067 31.851 28.072
42 HG2 ARG 6 HG2 ARG 6 23.668 33.122 26.770
43 HG3 ARG 6 HG3 ARG 6 22.737 32.893 25.288
44 HD2 ARG 6 HD2 ARG 6 21.720 34.334 27.762
45 HD3 ARG 6 HD3 ARG 6 22.457 35.127 26.355
46 HE ARG 6 HE ARG 6 20.286 33.439 25.516
47 HH11 ARG 6 HH11 ARG 6 20.926 36.644 26.800
48 HH12 ARG 6 HH12 ARG 6 19.577 37.354 25.950
49 HH21 ARG 6 HH21 ARG 6 18.356 34.297 24.892
50 HH22 ARG 6 HH22 ARG 6 18.192 36.045 24.804
51 H ARG 7 H ARG 7 20.722 28.925 26.760
52 HA ARG 7 HA ARG 7 21.420 27.610 29.288
53 HB2 ARG 7 HB2 ARG 7 19.291 27.094 27.174
54 HB3 ARG 7 HB3 ARG 7 19.509 26.063 28.594
55 HG2 ARG 7 HG2 ARG 7 19.164 28.000 30.094
56 HG3 ARG 7 HG3 ARG 7 18.887 29.049 28.689
57 HD2 ARG 7 HD2 ARG 7 16.938 27.719 28.028
58 HD3 ARG 7 HD3 ARG 7 17.290 26.540 29.307
59 HE ARG 7 HE ARG 7 16.847 29.254 30.299
60 HH11 ARG 7 HH11 ARG 7 15.145 26.350 29.320
61 HH12 ARG 7 HH12 ARG 7 13.917 26.547 30.552
62 HH21 ARG 7 HH21 ARG 7 15.074 29.563 31.706
63 HH22 ARG 7 HH22 ARG 7 13.693 28.527 31.461
64 H CYS 8 H CYS 8 22.043 26.874 25.914
65 HA CYS 8 HA CYS 8 22.932 24.149 26.321
66 HB2 CYS 8 HB2 CYS 8 22.246 24.967 24.141
67 HB3 CYS 8 HB3 CYS 8 23.479 26.212 24.171
68 H GLU 9 H GLU 9 24.799 27.223 25.863
69 HA GLU 9 HA GLU 9 27.366 26.236 26.444
70 HB2 GLU 9 HB2 GLU 9 26.036 28.940 26.672
71 HB3 GLU 9 HB3 GLU 9 27.688 28.737 27.235
72 HG2 GLU 9 HG2 GLU 9 27.042 27.716 24.473
73 HG3 GLU 9 HG3 GLU 9 27.128 29.461 24.737
74 H LEU 10 H LEU 10 25.041 27.663 28.860
75 HA LEU 10 HA LEU 10 26.900 27.347 31.020
76 HB2 LEU 10 HB2 LEU 10 25.246 28.059 32.440
77 HB3 LEU 10 HB3 LEU 10 24.868 28.814 30.908
78 HG LEU 10 HG LEU 10 23.184 26.797 30.642
79 HD11 LEU 10 HD11 LEU 10 23.489 26.963 33.674
80 HD12 LEU 10 HD12 LEU 10 22.205 26.096 32.811
81 HD13 LEU 10 HD13 LEU 10 23.878 25.545 32.693
82 HD21 LEU 10 HD21 LEU 10 21.444 28.134 31.800
83 HD22 LEU 10 HD22 LEU 10 22.712 29.069 32.618
84 HD23 LEU 10 HD23 LEU 10 22.529 29.176 30.860
85 H SER 11 H SER 11 24.624 25.087 29.595
86 HA SER 11 HA SER 11 24.991 22.983 31.573
87 HB2 SER 11 HB2 SER 11 24.110 22.730 28.668
88 HB3 SER 11 HB3 SER 11 23.951 21.516 29.942
89 HG SER 11 HG SER 11 22.619 23.987 29.627
90 H CYS 12 H CYS 12 26.537 23.679 28.374
91 HA CYS 12 HA CYS 12 28.221 21.389 28.287
92 HB2 CYS 12 HB2 CYS 12 28.822 24.171 27.174
93 HB3 CYS 12 HB3 CYS 12 29.482 22.636 26.615
94 H ARG 13 H ARG 13 28.795 24.642 29.623
95 HA ARG 13 HA ARG 13 31.530 24.279 30.317
96 HB2 ARG 13 HB2 ARG 13 29.320 26.209 31.125
97 HB3 ARG 13 HB3 ARG 13 30.976 26.366 31.699
98 HG2 ARG 13 HG2 ARG 13 31.856 26.662 29.489
99 HG3 ARG 13 HG3 ARG 13 30.365 26.121 28.726
100 HD2 ARG 13 HD2 ARG 13 29.213 28.149 29.645
101 HD3 ARG 13 HD3 ARG 13 30.778 28.729 30.230
102 HE ARG 13 HE ARG 13 30.143 28.139 27.331
103 HH11 ARG 13 HH11 ARG 13 31.914 30.202 29.605
104 HH12 ARG 13 HH12 ARG 13 32.422 31.258 28.309
105 HH21 ARG 13 HH21 ARG 13 30.855 29.489 25.814
106 HH22 ARG 13 HH22 ARG 13 32.104 30.660 26.212
107 H SER 14 H SER 14 28.601 23.374 32.036
108 HA SER 14 HA SER 14 29.863 22.780 34.545
109 HB2 SER 14 HB2 SER 14 27.927 21.677 35.172
110 HB3 SER 14 HB3 SER 14 27.350 22.933 34.076
111 HG SER 14 HG SER 14 27.192 21.315 32.435
112 H LEU 15 H LEU 15 29.835 20.986 31.501
113 HA LEU 15 HA LEU 15 31.015 18.560 32.704
114 HB2 LEU 15 HB2 LEU 15 30.774 19.185 29.765
115 HB3 LEU 15 HB3 LEU 15 30.891 17.612 30.534
116 HG LEU 15 HG LEU 15 28.511 19.491 30.485
117 HD11 LEU 15 HD11 LEU 15 27.449 17.708 29.166
118 HD12 LEU 15 HD12 LEU 15 28.907 18.335 28.385
119 HD13 LEU 15 HD13 LEU 15 28.957 16.769 29.222
120 HD21 LEU 15 HD21 LEU 15 28.753 16.718 31.759
121 HD22 LEU 15 HD22 LEU 15 28.522 18.249 32.644
122 HD23 LEU 15 HD23 LEU 15 27.243 17.648 31.582
123 H GLY 16 H GLY 16 32.166 21.567 31.578
124 HA2 GLY 16 HA2 GLY 16 34.392 22.317 31.514
125 HA3 GLY 16 HA3 GLY 16 34.986 20.661 31.451
126 H LEU 17 H LEU 17 32.461 21.482 29.172
127 HA LEU 17 HA LEU 17 34.455 21.933 26.987
128 HB2 LEU 17 HB2 LEU 17 32.387 20.812 25.621
129 HB3 LEU 17 HB3 LEU 17 33.872 20.015 26.057
130 HG LEU 17 HG LEU 17 31.470 19.893 27.860
131 HD11 LEU 17 HD11 LEU 17 30.762 19.162 25.580
132 HD12 LEU 17 HD12 LEU 17 32.023 17.929 25.604
133 HD13 LEU 17 HD13 LEU 17 30.696 17.883 26.797
134 HD21 LEU 17 HD21 LEU 17 33.670 18.920 28.690
135 HD22 LEU 17 HD22 LEU 17 32.484 17.638 28.410
136 HD23 LEU 17 HD23 LEU 17 33.751 17.962 27.205
137 H LEU 18 H LEU 18 33.176 22.748 24.958
138 HA LEU 18 HA LEU 18 31.674 25.189 25.862
139 HB2 LEU 18 HB2 LEU 18 33.678 24.726 23.646
140 HB3 LEU 18 HB3 LEU 18 32.549 26.080 23.578
141 HG LEU 18 HG LEU 18 34.243 25.636 26.040
142 HD11 LEU 18 HD11 LEU 18 35.038 27.220 23.555
143 HD12 LEU 18 HD12 LEU 18 35.915 27.202 25.105
144 HD13 LEU 18 HD13 LEU 18 35.812 25.726 24.134
145 HD21 LEU 18 HD21 LEU 18 32.391 27.256 26.189
146 HD22 LEU 18 HD22 LEU 18 33.958 28.064 26.300
147 HD23 LEU 18 HD23 LEU 18 33.034 28.131 24.783
148 H GLY 19 H GLY 19 29.954 25.922 24.728
149 HA2 GLY 19 HA2 GLY 19 28.477 23.881 23.117
150 HA3 GLY 19 HA3 GLY 19 27.790 25.297 23.893
151 H LYS 20 H LYS 20 27.805 24.214 21.020
152 HA LYS 20 HA LYS 20 28.108 26.887 19.780
153 HB2 LYS 20 HB2 LYS 20 29.339 26.146 17.885
154 HB3 LYS 20 HB3 LYS 20 30.240 25.767 19.352
155 HG2 LYS 20 HG2 LYS 20 29.286 23.385 19.171
156 HG3 LYS 20 HG3 LYS 20 28.695 23.827 17.564
157 HD2 LYS 20 HD2 LYS 20 31.585 23.963 18.500
158 HD3 LYS 20 HD3 LYS 20 30.885 22.636 17.565
159 HE2 LYS 20 HE2 LYS 20 30.463 24.131 15.660
160 HE3 LYS 20 HE3 LYS 20 31.038 25.525 16.598
161 HZ1 LYS 20 HZ1 LYS 20 32.796 24.681 15.161
162 HZ2 LYS 20 HZ2 LYS 20 33.204 24.478 16.737
163 HZ3 LYS 20 HZ3 LYS 20 32.704 23.181 15.863
164 H CYS 21 H CYS 21 26.756 27.358 18.121
165 HA CYS 21 HA CYS 21 24.360 25.696 17.814
166 HB2 CYS 21 HB2 CYS 21 25.232 28.353 16.621
167 HB3 CYS 21 HB3 CYS 21 23.633 27.636 16.446
168 H ILE 22 H ILE 22 24.537 23.947 16.514
169 HA ILE 22 HA ILE 22 26.075 24.051 13.968
170 HB ILE 22 HB ILE 22 24.767 21.616 15.212
171 HG12 ILE 22 HG12 ILE 22 27.615 22.667 15.540
172 HG13 ILE 22 HG13 ILE 22 26.418 22.437 16.818
173 HG21 ILE 22 HG21 ILE 22 25.366 21.641 12.700
174 HG22 ILE 22 HG22 ILE 22 27.051 21.856 13.193
175 HG23 ILE 22 HG23 ILE 22 26.161 20.387 13.643
176 HD11 ILE 22 HD11 ILE 22 27.814 20.244 15.255
177 HD12 ILE 22 HD12 ILE 22 28.006 20.660 16.962
178 HD13 ILE 22 HD13 ILE 22 26.468 19.973 16.393
179 H GLY 23 H GLY 23 24.347 25.770 13.667
180 HA2 GLY 23 HA2 GLY 23 22.599 26.338 12.100
181 HA3 GLY 23 HA3 GLY 23 21.938 24.723 12.255
182 H GLU 24 H GLU 24 19.985 24.979 13.068
183 HA GLU 24 HA GLU 24 19.257 26.968 15.107
184 HB2 GLU 24 HB2 GLU 24 17.017 26.179 14.798
185 HB3 GLU 24 HB3 GLU 24 17.766 26.592 13.266
186 HG2 GLU 24 HG2 GLU 24 17.481 23.741 14.325
187 HG3 GLU 24 HG3 GLU 24 16.347 24.559 13.256
188 H GLU 25 H GLU 25 20.728 24.013 15.321
189 HA GLU 25 HA GLU 25 19.621 23.350 18.003
190 HB2 GLU 25 HB2 GLU 25 20.149 21.013 17.541
191 HB3 GLU 25 HB3 GLU 25 18.954 21.666 16.418
192 HG2 GLU 25 HG2 GLU 25 20.798 21.983 14.715
193 HG3 GLU 25 HG3 GLU 25 21.899 21.171 15.828
194 H CYS 26 H CYS 26 21.073 22.888 19.651
195 HA CYS 26 HA CYS 26 23.884 23.772 19.137
196 HB2 CYS 26 HB2 CYS 26 22.411 25.232 20.513
197 HB3 CYS 26 HB3 CYS 26 22.264 23.941 21.689
198 H LYS 27 H LYS 27 25.642 22.635 19.948
199 HA LYS 27 HA LYS 27 25.142 20.251 21.669
200 HB2 LYS 27 HB2 LYS 27 25.188 19.562 19.318
201 HB3 LYS 27 HB3 LYS 27 26.760 20.342 19.095
202 HG2 LYS 27 HG2 LYS 27 27.828 18.788 20.633
203 HG3 LYS 27 HG3 LYS 27 26.270 18.059 21.063
204 HD2 LYS 27 HD2 LYS 27 27.451 18.095 18.257
205 HD3 LYS 27 HD3 LYS 27 27.660 16.757 19.411
206 HE2 LYS 27 HE2 LYS 27 25.076 16.699 19.557
207 HE3 LYS 27 HE3 LYS 27 25.083 17.738 18.125
208 HZ1 LYS 27 HZ1 LYS 27 26.104 14.971 18.356
209 HZ2 LYS 27 HZ2 LYS 27 24.906 15.523 17.397
210 HZ3 LYS 27 HZ3 LYS 27 26.478 15.916 17.061
211 H CYS 28 H CYS 28 26.666 19.816 23.160
212 HA CYS 28 HA CYS 28 28.878 21.710 23.583
213 HB2 CYS 28 HB2 CYS 28 28.247 19.209 25.169
214 HB3 CYS 28 HB3 CYS 28 29.192 20.601 25.665
215 H VAL 29 H VAL 29 31.024 21.343 23.096
216 HA VAL 29 HA VAL 29 31.806 18.605 22.185
217 HB VAL 29 HB VAL 29 33.100 19.602 20.368
218 HG11 VAL 29 HG11 VAL 29 30.148 20.321 20.210
219 HG12 VAL 29 HG12 VAL 29 31.247 19.968 18.861
220 HG13 VAL 29 HG13 VAL 29 30.820 18.687 20.010
221 HG21 VAL 29 HG21 VAL 29 33.382 21.923 21.179
222 HG22 VAL 29 HG22 VAL 29 32.663 21.865 19.569
223 HG23 VAL 29 HG23 VAL 29 31.636 22.205 20.979
224 H TYR 30 H TYR 30 33.590 17.759 22.725
225 HA TYR 30 HA TYR 30 35.573 18.883 24.510
226 HB2 TYR 30 HB2 TYR 30 35.237 16.319 22.939
227 HB3 TYR 30 HB3 TYR 30 36.781 16.718 23.657
228 HD1 TYR 30 HD1 TYR 30 37.001 17.158 26.095
229 HD2 TYR 30 HD2 TYR 30 33.447 15.426 24.383
230 HE1 TYR 30 HE1 TYR 30 36.374 16.270 28.324
231 HE2 TYR 30 HE2 TYR 30 32.787 14.582 26.644
232 HH TYR 30 HH TYR 30 34.608 15.506 29.549
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 12.363 29.132 14.617
2 H2 ALA 1 H2 ALA 1 11.393 28.028 15.361
3 H3 ALA 1 H3 ALA 1 12.790 27.547 14.632
4 HA ALA 1 HA ALA 1 12.619 29.355 16.939
5 HB1 ALA 1 HB1 ALA 1 13.536 27.481 18.282
6 HB2 ALA 1 HB2 ALA 1 11.949 27.082 17.604
7 HB3 ALA 1 HB3 ALA 1 13.424 26.412 16.867
8 H PHE 2 H PHE 2 14.570 29.991 17.863
9 HA PHE 2 HA PHE 2 16.964 29.883 16.093
10 HB2 PHE 2 HB2 PHE 2 16.421 31.438 18.651
11 HB3 PHE 2 HB3 PHE 2 17.868 31.538 17.664
12 HD1 PHE 2 HD1 PHE 2 17.808 32.573 15.385
13 HD2 PHE 2 HD2 PHE 2 14.383 32.615 18.005
14 HE1 PHE 2 HE1 PHE 2 16.762 34.340 13.988
15 HE2 PHE 2 HE2 PHE 2 13.330 34.366 16.600
16 HZ PHE 2 HZ PHE 2 14.503 35.215 14.576
17 H CYS 3 H CYS 3 19.075 29.353 17.121
18 HA CYS 3 HA CYS 3 18.967 27.056 18.937
19 HB2 CYS 3 HB2 CYS 3 21.366 27.027 18.678
20 HB3 CYS 3 HB3 CYS 3 20.590 27.146 17.128
21 H ASN 4 H ASN 4 19.199 27.090 21.108
22 HA ASN 4 HA ASN 4 19.297 29.684 22.545
23 HB2 ASN 4 HB2 ASN 4 18.426 26.860 23.220
24 HB3 ASN 4 HB3 ASN 4 18.838 27.998 24.493
25 HD21 ASN 4 HD21 ASN 4 15.373 28.647 22.538
26 HD22 ASN 4 HD22 ASN 4 16.509 27.485 21.829
27 H LEU 5 H LEU 5 21.516 29.948 21.748
28 HA LEU 5 HA LEU 5 23.629 28.202 22.349
29 HB2 LEU 5 HB2 LEU 5 23.527 29.949 20.596
30 HB3 LEU 5 HB3 LEU 5 23.684 31.202 21.815
31 HG LEU 5 HG LEU 5 25.691 30.656 20.453
32 HD11 LEU 5 HD11 LEU 5 25.920 31.889 22.555
33 HD12 LEU 5 HD12 LEU 5 26.199 30.366 23.429
34 HD13 LEU 5 HD13 LEU 5 27.326 30.884 22.177
35 HD21 LEU 5 HD21 LEU 5 25.996 28.186 22.197
36 HD22 LEU 5 HD22 LEU 5 25.454 28.161 20.502
37 HD23 LEU 5 HD23 LEU 5 27.074 28.751 20.910
38 H ARG 6 H ARG 6 22.652 31.130 24.216
39 HA ARG 6 HA ARG 6 24.697 30.881 26.217
40 HB2 ARG 6 HB2 ARG 6 21.967 32.198 26.382
41 HB3 ARG 6 HB3 ARG 6 23.220 32.297 27.627
42 HG2 ARG 6 HG2 ARG 6 24.817 33.229 25.945
43 HG3 ARG 6 HG3 ARG 6 23.525 33.220 24.734
44 HD2 ARG 6 HD2 ARG 6 22.177 34.720 26.159
45 HD3 ARG 6 HD3 ARG 6 23.485 34.740 27.368
46 HE ARG 6 HE ARG 6 24.630 35.471 24.893
47 HH11 ARG 6 HH11 ARG 6 22.255 36.875 27.103
48 HH12 ARG 6 HH12 ARG 6 22.338 38.429 26.281
49 HH21 ARG 6 HH21 ARG 6 24.908 37.559 24.201
50 HH22 ARG 6 HH22 ARG 6 23.986 38.862 24.912
51 H ARG 7 H ARG 7 21.291 29.670 26.376
52 HA ARG 7 HA ARG 7 21.501 28.222 28.857
53 HB2 ARG 7 HB2 ARG 7 19.881 27.790 26.330
54 HB3 ARG 7 HB3 ARG 7 19.799 26.646 27.660
55 HG2 ARG 7 HG2 ARG 7 18.930 28.313 29.177
56 HG3 ARG 7 HG3 ARG 7 19.138 29.594 27.975
57 HD2 ARG 7 HD2 ARG 7 16.767 28.774 28.201
58 HD3 ARG 7 HD3 ARG 7 17.432 28.708 26.568
59 HE ARG 7 HE ARG 7 17.558 26.212 28.189
60 HH11 ARG 7 HH11 ARG 7 15.642 27.816 25.649
61 HH12 ARG 7 HH12 ARG 7 15.333 26.251 24.921
62 HH21 ARG 7 HH21 ARG 7 16.907 24.398 27.237
63 HH22 ARG 7 HH22 ARG 7 15.920 24.466 25.764
64 H CYS 8 H CYS 8 22.508 27.320 25.601
65 HA CYS 8 HA CYS 8 23.239 24.601 26.223
66 HB2 CYS 8 HB2 CYS 8 22.616 25.315 24.006
67 HB3 CYS 8 HB3 CYS 8 23.907 26.499 23.973
68 H GLU 9 H GLU 9 25.335 27.577 25.756
69 HA GLU 9 HA GLU 9 27.794 26.346 26.420
70 HB2 GLU 9 HB2 GLU 9 26.755 29.178 26.794
71 HB3 GLU 9 HB3 GLU 9 28.355 28.696 27.364
72 HG2 GLU 9 HG2 GLU 9 28.967 27.964 25.073
73 HG3 GLU 9 HG3 GLU 9 27.422 28.586 24.479
74 H LEU 10 H LEU 10 25.413 27.849 28.681
75 HA LEU 10 HA LEU 10 27.067 27.291 30.977
76 HB2 LEU 10 HB2 LEU 10 25.531 28.468 32.167
77 HB3 LEU 10 HB3 LEU 10 25.298 29.105 30.548
78 HG LEU 10 HG LEU 10 23.361 27.272 30.468
79 HD11 LEU 10 HD11 LEU 10 22.239 27.070 32.648
80 HD12 LEU 10 HD12 LEU 10 23.858 26.343 32.739
81 HD13 LEU 10 HD13 LEU 10 23.560 27.949 33.430
82 HD21 LEU 10 HD21 LEU 10 23.043 29.726 30.256
83 HD22 LEU 10 HD22 LEU 10 21.771 28.975 31.247
84 HD23 LEU 10 HD23 LEU 10 23.096 29.859 32.024
85 H SER 11 H SER 11 24.704 25.393 29.242
86 HA SER 11 HA SER 11 24.527 23.255 31.218
87 HB2 SER 11 HB2 SER 11 22.769 23.486 29.574
88 HB3 SER 11 HB3 SER 11 23.917 23.290 28.246
89 HG SER 11 HG SER 11 23.412 21.352 30.268
90 H CYS 12 H CYS 12 26.504 23.797 28.284
91 HA CYS 12 HA CYS 12 27.985 21.369 28.372
92 HB2 CYS 12 HB2 CYS 12 28.705 24.062 27.166
93 HB3 CYS 12 HB3 CYS 12 29.449 22.533 26.731
94 H ARG 13 H ARG 13 28.399 24.368 30.155
95 HA ARG 13 HA ARG 13 31.031 24.064 31.166
96 HB2 ARG 13 HB2 ARG 13 29.560 26.050 31.483
97 HB3 ARG 13 HB3 ARG 13 28.513 25.072 32.519
98 HG2 ARG 13 HG2 ARG 13 30.379 24.818 34.161
99 HG3 ARG 13 HG3 ARG 13 31.406 25.810 33.113
100 HD2 ARG 13 HD2 ARG 13 30.434 27.063 35.017
101 HD3 ARG 13 HD3 ARG 13 30.017 27.730 33.427
102 HE ARG 13 HE ARG 13 28.015 25.861 34.462
103 HH11 ARG 13 HH11 ARG 13 28.941 29.267 34.642
104 HH12 ARG 13 HH12 ARG 13 27.241 29.749 34.577
105 HH21 ARG 13 HH21 ARG 13 25.985 26.588 34.621
106 HH22 ARG 13 HH22 ARG 13 25.683 28.346 34.608
107 H SER 14 H SER 14 28.062 22.353 32.070
108 HA SER 14 HA SER 14 29.216 21.042 34.404
109 HB2 SER 14 HB2 SER 14 27.234 19.762 34.517
110 HB3 SER 14 HB3 SER 14 26.763 21.408 34.074
111 HG SER 14 HG SER 14 26.560 20.692 31.901
112 H LEU 15 H LEU 15 29.832 20.567 31.110
113 HA LEU 15 HA LEU 15 30.906 17.825 31.589
114 HB2 LEU 15 HB2 LEU 15 30.883 19.249 28.946
115 HB3 LEU 15 HB3 LEU 15 31.001 17.523 29.269
116 HG LEU 15 HG LEU 15 28.551 19.308 29.427
117 HD11 LEU 15 HD11 LEU 15 29.292 18.716 27.173
118 HD12 LEU 15 HD12 LEU 15 29.240 16.988 27.592
119 HD13 LEU 15 HD13 LEU 15 27.744 17.947 27.563
120 HD21 LEU 15 HD21 LEU 15 28.755 16.301 29.972
121 HD22 LEU 15 HD22 LEU 15 28.339 17.542 31.172
122 HD23 LEU 15 HD23 LEU 15 27.241 17.219 29.830
123 H GLY 16 H GLY 16 31.825 21.142 31.449
124 HA2 GLY 16 HA2 GLY 16 33.971 22.002 31.940
125 HA3 GLY 16 HA3 GLY 16 34.715 20.487 31.449
126 H LEU 17 H LEU 17 32.365 21.993 29.285
127 HA LEU 17 HA LEU 17 34.476 23.165 27.571
128 HB2 LEU 17 HB2 LEU 17 33.506 21.791 25.635
129 HB3 LEU 17 HB3 LEU 17 34.672 21.051 26.692
130 HG LEU 17 HG LEU 17 31.839 20.578 27.507
131 HD11 LEU 17 HD11 LEU 17 31.285 19.004 25.820
132 HD12 LEU 17 HD12 LEU 17 31.609 20.587 25.071
133 HD13 LEU 17 HD13 LEU 17 32.817 19.288 24.958
134 HD21 LEU 17 HD21 LEU 17 32.722 18.234 27.644
135 HD22 LEU 17 HD22 LEU 17 34.195 18.761 26.820
136 HD23 LEU 17 HD23 LEU 17 33.844 19.354 28.448
137 H LEU 18 H LEU 18 33.499 23.946 25.439
138 HA LEU 18 HA LEU 18 31.285 25.779 26.109
139 HB2 LEU 18 HB2 LEU 18 33.182 25.534 23.743
140 HB3 LEU 18 HB3 LEU 18 31.873 26.706 23.781
141 HG LEU 18 HG LEU 18 34.054 26.574 25.880
142 HD11 LEU 18 HD11 LEU 18 34.991 28.564 24.758
143 HD12 LEU 18 HD12 LEU 18 34.966 27.175 23.663
144 HD13 LEU 18 HD13 LEU 18 33.743 28.456 23.502
145 HD21 LEU 18 HD21 LEU 18 32.051 27.670 26.758
146 HD22 LEU 18 HD22 LEU 18 33.286 28.872 26.415
147 HD23 LEU 18 HD23 LEU 18 31.931 28.677 25.290
148 H GLY 19 H GLY 19 29.827 26.282 24.309
149 HA2 GLY 19 HA2 GLY 19 28.633 23.847 23.051
150 HA3 GLY 19 HA3 GLY 19 27.631 25.052 23.833
151 H LYS 20 H LYS 20 27.977 24.019 20.998
152 HA LYS 20 HA LYS 20 28.568 26.521 19.465
153 HB2 LYS 20 HB2 LYS 20 30.233 24.719 19.180
154 HB3 LYS 20 HB3 LYS 20 28.940 23.583 18.751
155 HG2 LYS 20 HG2 LYS 20 28.428 25.009 16.734
156 HG3 LYS 20 HG3 LYS 20 29.748 26.081 17.203
157 HD2 LYS 20 HD2 LYS 20 30.472 24.601 15.435
158 HD3 LYS 20 HD3 LYS 20 31.361 24.208 16.918
159 HE2 LYS 20 HE2 LYS 20 29.955 22.249 17.309
160 HE3 LYS 20 HE3 LYS 20 28.860 22.716 15.998
161 HZ1 LYS 20 HZ1 LYS 20 30.436 20.981 15.319
162 HZ2 LYS 20 HZ2 LYS 20 30.603 22.346 14.422
163 HZ3 LYS 20 HZ3 LYS 20 31.710 21.995 15.580
164 H CYS 21 H CYS 21 27.003 27.302 18.178
165 HA CYS 21 HA CYS 21 24.334 26.111 18.219
166 HB2 CYS 21 HB2 CYS 21 24.481 28.464 18.378
167 HB3 CYS 21 HB3 CYS 21 25.528 28.580 16.958
168 H ILE 22 H ILE 22 23.394 24.875 16.828
169 HA ILE 22 HA ILE 22 24.414 24.489 14.054
170 HB ILE 22 HB ILE 22 23.193 22.317 15.791
171 HG12 ILE 22 HG12 ILE 22 26.121 22.860 15.142
172 HG13 ILE 22 HG13 ILE 22 25.368 22.850 16.737
173 HG21 ILE 22 HG21 ILE 22 24.645 22.143 13.109
174 HG22 ILE 22 HG22 ILE 22 23.793 20.834 13.956
175 HG23 ILE 22 HG23 ILE 22 22.884 22.169 13.272
176 HD11 ILE 22 HD11 ILE 22 25.824 20.437 14.956
177 HD12 ILE 22 HD12 ILE 22 26.615 20.832 16.483
178 HD13 ILE 22 HD13 ILE 22 24.887 20.414 16.472
179 H GLY 23 H GLY 23 22.923 26.324 13.658
180 HA2 GLY 23 HA2 GLY 23 21.021 27.071 12.630
181 HA3 GLY 23 HA3 GLY 23 20.423 25.412 12.583
182 H GLU 24 H GLU 24 18.904 24.755 14.068
183 HA GLU 24 HA GLU 24 17.851 26.763 15.987
184 HB2 GLU 24 HB2 GLU 24 15.791 25.872 15.752
185 HB3 GLU 24 HB3 GLU 24 16.394 25.707 14.117
186 HG2 GLU 24 HG2 GLU 24 16.266 23.457 16.188
187 HG3 GLU 24 HG3 GLU 24 15.033 23.846 15.021
188 H GLU 25 H GLU 25 20.006 24.294 16.124
189 HA GLU 25 HA GLU 25 19.265 23.589 18.941
190 HB2 GLU 25 HB2 GLU 25 20.577 21.759 16.892
191 HB3 GLU 25 HB3 GLU 25 20.199 21.383 18.584
192 HG2 GLU 25 HG2 GLU 25 17.754 21.902 18.015
193 HG3 GLU 25 HG3 GLU 25 18.240 21.872 16.315
194 H CYS 26 H CYS 26 21.250 22.709 20.152
195 HA CYS 26 HA CYS 26 23.809 23.802 19.160
196 HB2 CYS 26 HB2 CYS 26 22.858 25.617 20.413
197 HB3 CYS 26 HB3 CYS 26 22.504 24.573 21.781
198 H LYS 27 H LYS 27 25.632 22.828 19.950
199 HA LYS 27 HA LYS 27 25.294 20.282 21.513
200 HB2 LYS 27 HB2 LYS 27 25.117 20.043 19.003
201 HB3 LYS 27 HB3 LYS 27 26.778 20.625 18.882
202 HG2 LYS 27 HG2 LYS 27 27.605 18.686 20.099
203 HG3 LYS 27 HG3 LYS 27 25.958 18.128 20.442
204 HD2 LYS 27 HD2 LYS 27 26.973 18.556 17.607
205 HD3 LYS 27 HD3 LYS 27 27.244 17.039 18.450
206 HE2 LYS 27 HE2 LYS 27 24.420 18.142 18.287
207 HE3 LYS 27 HE3 LYS 27 25.133 17.391 16.857
208 HZ1 LYS 27 HZ1 LYS 27 24.959 16.013 19.484
209 HZ2 LYS 27 HZ2 LYS 27 23.901 15.786 18.268
210 HZ3 LYS 27 HZ3 LYS 27 25.479 15.386 18.055
211 H CYS 28 H CYS 28 26.976 19.750 22.872
212 HA CYS 28 HA CYS 28 28.892 21.874 23.404
213 HB2 CYS 28 HB2 CYS 28 28.788 19.207 24.800
214 HB3 CYS 28 HB3 CYS 28 29.487 20.702 25.355
215 H VAL 29 H VAL 29 31.104 21.942 23.078
216 HA VAL 29 HA VAL 29 32.343 19.675 21.592
217 HB VAL 29 HB VAL 29 33.408 21.278 20.065
218 HG11 VAL 29 HG11 VAL 29 31.555 21.418 18.539
219 HG12 VAL 29 HG12 VAL 29 31.427 19.901 19.440
220 HG13 VAL 29 HG13 VAL 29 30.374 21.270 19.864
221 HG21 VAL 29 HG21 VAL 29 32.396 23.466 19.629
222 HG22 VAL 29 HG22 VAL 29 31.315 23.278 21.028
223 HG23 VAL 29 HG23 VAL 29 33.073 23.426 21.257
224 H TYR 30 H TYR 30 34.140 19.060 22.324
225 HA TYR 30 HA TYR 30 35.586 20.024 24.525
226 HB2 TYR 30 HB2 TYR 30 36.421 18.130 22.296
227 HB3 TYR 30 HB3 TYR 30 37.193 18.264 23.864
228 HD1 TYR 30 HD1 TYR 30 36.084 17.466 25.903
229 HD2 TYR 30 HD2 TYR 30 34.275 16.945 22.027
230 HE1 TYR 30 HE1 TYR 30 34.453 15.878 26.885
231 HE2 TYR 30 HE2 TYR 30 32.634 15.351 23.007
232 HH TYR 30 HH TYR 30 32.935 14.232 26.356
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 11.889 30.735 15.995
2 H2 ALA 1 H2 ALA 1 12.541 31.994 15.144
3 H3 ALA 1 H3 ALA 1 11.250 32.240 16.124
4 HA ALA 1 HA ALA 1 13.323 33.052 17.049
5 HB1 ALA 1 HB1 ALA 1 11.487 32.532 18.540
6 HB2 ALA 1 HB2 ALA 1 11.970 30.818 18.597
7 HB3 ALA 1 HB3 ALA 1 13.024 32.073 19.291
8 H PHE 2 H PHE 2 15.403 32.742 17.641
9 HA PHE 2 HA PHE 2 16.799 30.552 16.307
10 HB2 PHE 2 HB2 PHE 2 17.890 32.873 17.917
11 HB3 PHE 2 HB3 PHE 2 18.808 31.826 16.848
12 HD1 PHE 2 HD1 PHE 2 17.799 31.662 14.336
13 HD2 PHE 2 HD2 PHE 2 17.300 34.975 17.054
14 HE1 PHE 2 HE1 PHE 2 17.319 33.171 12.410
15 HE2 PHE 2 HE2 PHE 2 16.829 36.483 15.134
16 HZ PHE 2 HZ PHE 2 16.823 35.573 12.816
17 H CYS 3 H CYS 3 18.556 29.383 17.279
18 HA CYS 3 HA CYS 3 17.936 27.943 19.610
19 HB2 CYS 3 HB2 CYS 3 20.287 27.115 19.387
20 HB3 CYS 3 HB3 CYS 3 19.287 26.999 17.926
21 H ASN 4 H ASN 4 18.390 28.074 21.691
22 HA ASN 4 HA ASN 4 19.117 30.574 22.873
23 HB2 ASN 4 HB2 ASN 4 18.672 27.917 24.274
24 HB3 ASN 4 HB3 ASN 4 18.396 29.541 24.914
25 HD21 ASN 4 HD21 ASN 4 15.097 29.655 23.546
26 HD22 ASN 4 HD22 ASN 4 16.328 30.508 24.482
27 H LEU 5 H LEU 5 21.398 30.522 21.794
28 HA LEU 5 HA LEU 5 23.340 28.629 22.478
29 HB2 LEU 5 HB2 LEU 5 23.551 30.216 20.632
30 HB3 LEU 5 HB3 LEU 5 23.693 31.557 21.780
31 HG LEU 5 HG LEU 5 25.846 30.680 22.603
32 HD11 LEU 5 HD11 LEU 5 26.974 28.823 21.371
33 HD12 LEU 5 HD12 LEU 5 25.578 28.264 22.289
34 HD13 LEU 5 HD13 LEU 5 25.445 28.487 20.527
35 HD21 LEU 5 HD21 LEU 5 27.171 31.061 20.571
36 HD22 LEU 5 HD22 LEU 5 25.713 30.848 19.570
37 HD23 LEU 5 HD23 LEU 5 25.839 32.220 20.690
38 H ARG 6 H ARG 6 22.443 31.537 24.325
39 HA ARG 6 HA ARG 6 24.626 31.483 26.217
40 HB2 ARG 6 HB2 ARG 6 21.853 32.664 26.473
41 HB3 ARG 6 HB3 ARG 6 23.216 32.940 27.557
42 HG2 ARG 6 HG2 ARG 6 24.574 33.841 25.649
43 HG3 ARG 6 HG3 ARG 6 23.183 33.609 24.574
44 HD2 ARG 6 HD2 ARG 6 23.187 35.881 25.242
45 HD3 ARG 6 HD3 ARG 6 21.831 35.045 26.041
46 HE ARG 6 HE ARG 6 24.264 35.132 27.658
47 HH11 ARG 6 HH11 ARG 6 21.288 36.988 27.060
48 HH12 ARG 6 HH12 ARG 6 21.598 37.912 28.537
49 HH21 ARG 6 HH21 ARG 6 24.357 36.235 29.487
50 HH22 ARG 6 HH22 ARG 6 23.169 37.505 29.813
51 H ARG 7 H ARG 7 21.722 29.581 25.963
52 HA ARG 7 HA ARG 7 22.036 28.415 28.697
53 HB2 ARG 7 HB2 ARG 7 19.842 28.152 26.605
54 HB3 ARG 7 HB3 ARG 7 19.894 27.223 28.111
55 HG2 ARG 7 HG2 ARG 7 19.946 29.303 29.433
56 HG3 ARG 7 HG3 ARG 7 19.904 30.271 27.954
57 HD2 ARG 7 HD2 ARG 7 17.678 29.373 27.402
58 HD3 ARG 7 HD3 ARG 7 17.706 28.372 28.858
59 HE ARG 7 HE ARG 7 17.674 31.376 28.769
60 HH11 ARG 7 HH11 ARG 7 16.960 28.506 30.754
61 HH12 ARG 7 HH12 ARG 7 16.679 29.548 32.138
62 HH21 ARG 7 HH21 ARG 7 17.313 32.477 30.554
63 HH22 ARG 7 HH22 ARG 7 16.789 31.666 32.032
64 H CYS 8 H CYS 8 22.765 27.683 25.382
65 HA CYS 8 HA CYS 8 23.358 24.860 25.804
66 HB2 CYS 8 HB2 CYS 8 22.833 25.771 23.613
67 HB3 CYS 8 HB3 CYS 8 24.221 26.853 23.684
68 H GLU 9 H GLU 9 25.379 27.871 25.729
69 HA GLU 9 HA GLU 9 27.871 26.720 26.404
70 HB2 GLU 9 HB2 GLU 9 26.592 29.401 27.012
71 HB3 GLU 9 HB3 GLU 9 28.241 29.058 27.497
72 HG2 GLU 9 HG2 GLU 9 27.422 28.655 24.598
73 HG3 GLU 9 HG3 GLU 9 27.732 30.271 25.225
74 H LEU 10 H LEU 10 25.369 27.921 28.744
75 HA LEU 10 HA LEU 10 26.897 27.075 31.027
76 HB2 LEU 10 HB2 LEU 10 25.232 27.948 32.308
77 HB3 LEU 10 HB3 LEU 10 25.090 28.856 30.821
78 HG LEU 10 HG LEU 10 23.187 27.143 30.249
79 HD11 LEU 10 HD11 LEU 10 23.445 25.578 32.134
80 HD12 LEU 10 HD12 LEU 10 23.319 26.916 33.290
81 HD13 LEU 10 HD13 LEU 10 21.923 26.441 32.299
82 HD21 LEU 10 HD21 LEU 10 22.851 29.558 30.698
83 HD22 LEU 10 HD22 LEU 10 21.545 28.580 31.386
84 HD23 LEU 10 HD23 LEU 10 22.822 29.221 32.440
85 H SER 11 H SER 11 24.731 25.359 28.959
86 HA SER 11 HA SER 11 24.302 23.023 30.642
87 HB2 SER 11 HB2 SER 11 22.882 23.714 28.660
88 HB3 SER 11 HB3 SER 11 24.202 23.184 27.607
89 HG SER 11 HG SER 11 22.981 21.446 27.755
90 H CYS 12 H CYS 12 26.545 23.710 27.885
91 HA CYS 12 HA CYS 12 27.901 21.198 28.083
92 HB2 CYS 12 HB2 CYS 12 28.689 23.831 26.796
93 HB3 CYS 12 HB3 CYS 12 29.508 22.285 26.521
94 H ARG 13 H ARG 13 28.500 24.295 29.719
95 HA ARG 13 HA ARG 13 30.980 23.671 30.911
96 HB2 ARG 13 HB2 ARG 13 29.534 25.808 30.916
97 HB3 ARG 13 HB3 ARG 13 28.749 25.136 32.349
98 HG2 ARG 13 HG2 ARG 13 30.963 25.007 33.486
99 HG3 ARG 13 HG3 ARG 13 31.762 25.603 32.026
100 HD2 ARG 13 HD2 ARG 13 29.726 27.092 33.711
101 HD3 ARG 13 HD3 ARG 13 31.467 27.400 33.679
102 HE ARG 13 HE ARG 13 31.038 27.856 31.139
103 HH11 ARG 13 HH11 ARG 13 28.763 28.800 33.681
104 HH12 ARG 13 HH12 ARG 13 27.978 29.950 32.629
105 HH21 ARG 13 HH21 ARG 13 30.170 29.580 30.018
106 HH22 ARG 13 HH22 ARG 13 28.798 30.431 30.682
107 H SER 14 H SER 14 27.914 22.100 31.534
108 HA SER 14 HA SER 14 28.493 20.933 34.088
109 HB2 SER 14 HB2 SER 14 26.276 20.874 32.867
110 HB3 SER 14 HB3 SER 14 26.974 19.661 31.778
111 HG SER 14 HG SER 14 26.444 19.537 34.543
112 H LEU 15 H LEU 15 29.540 20.068 30.802
113 HA LEU 15 HA LEU 15 31.137 17.742 31.724
114 HB2 LEU 15 HB2 LEU 15 31.178 19.149 29.037
115 HB3 LEU 15 HB3 LEU 15 31.825 17.560 29.415
116 HG LEU 15 HG LEU 15 28.916 18.392 29.165
117 HD11 LEU 15 HD11 LEU 15 30.089 18.092 27.054
118 HD12 LEU 15 HD12 LEU 15 30.628 16.470 27.553
119 HD13 LEU 15 HD13 LEU 15 28.906 16.800 27.296
120 HD21 LEU 15 HD21 LEU 15 30.069 15.663 29.925
121 HD22 LEU 15 HD22 LEU 15 29.067 16.704 30.965
122 HD23 LEU 15 HD23 LEU 15 28.371 15.979 29.513
123 H GLY 16 H GLY 16 31.481 21.131 30.845
124 HA2 GLY 16 HA2 GLY 16 33.228 22.518 31.820
125 HA3 GLY 16 HA3 GLY 16 34.362 21.179 31.664
126 H LEU 17 H LEU 17 32.432 21.359 28.877
127 HA LEU 17 HA LEU 17 34.553 22.804 27.359
128 HB2 LEU 17 HB2 LEU 17 32.771 21.593 25.525
129 HB3 LEU 17 HB3 LEU 17 34.465 21.246 25.798
130 HG LEU 17 HG LEU 17 32.259 19.979 27.376
131 HD11 LEU 17 HD11 LEU 17 32.250 18.063 25.916
132 HD12 LEU 17 HD12 LEU 17 31.826 19.514 25.011
133 HD13 LEU 17 HD13 LEU 17 33.453 18.827 24.845
134 HD21 LEU 17 HD21 LEU 17 33.931 18.131 27.685
135 HD22 LEU 17 HD22 LEU 17 35.073 19.012 26.646
136 HD23 LEU 17 HD23 LEU 17 34.632 19.663 28.236
137 H LEU 18 H LEU 18 33.620 23.777 25.325
138 HA LEU 18 HA LEU 18 31.605 25.795 26.051
139 HB2 LEU 18 HB2 LEU 18 32.187 26.990 24.125
140 HB3 LEU 18 HB3 LEU 18 33.677 26.377 24.796
141 HG LEU 18 HG LEU 18 33.397 24.445 23.017
142 HD11 LEU 18 HD11 LEU 18 31.681 26.656 21.813
143 HD12 LEU 18 HD12 LEU 18 32.439 25.361 20.869
144 HD13 LEU 18 HD13 LEU 18 31.219 24.961 22.067
145 HD21 LEU 18 HD21 LEU 18 34.135 27.299 22.235
146 HD22 LEU 18 HD22 LEU 18 35.206 26.119 23.030
147 HD23 LEU 18 HD23 LEU 18 34.647 25.820 21.389
148 H GLY 19 H GLY 19 29.794 26.255 24.858
149 HA2 GLY 19 HA2 GLY 19 28.466 23.934 23.492
150 HA3 GLY 19 HA3 GLY 19 27.606 25.230 24.328
151 H LYS 20 H LYS 20 27.736 24.171 21.453
152 HA LYS 20 HA LYS 20 27.941 26.816 20.084
153 HB2 LYS 20 HB2 LYS 20 29.979 25.224 19.784
154 HB3 LYS 20 HB3 LYS 20 28.886 24.212 18.832
155 HG2 LYS 20 HG2 LYS 20 28.430 26.291 17.396
156 HG3 LYS 20 HG3 LYS 20 29.726 27.098 18.288
157 HD2 LYS 20 HD2 LYS 20 29.944 24.605 16.557
158 HD3 LYS 20 HD3 LYS 20 30.527 26.209 16.138
159 HE2 LYS 20 HE2 LYS 20 31.600 24.548 18.471
160 HE3 LYS 20 HE3 LYS 20 32.278 24.538 16.846
161 HZ1 LYS 20 HZ1 LYS 20 32.195 26.923 18.625
162 HZ2 LYS 20 HZ2 LYS 20 33.512 26.033 18.170
163 HZ3 LYS 20 HZ3 LYS 20 32.687 26.935 17.068
164 H CYS 21 H CYS 21 26.336 27.214 18.623
165 HA CYS 21 HA CYS 21 24.132 25.218 18.450
166 HB2 CYS 21 HB2 CYS 21 23.435 27.410 19.063
167 HB3 CYS 21 HB3 CYS 21 24.305 28.142 17.702
168 H ILE 22 H ILE 22 24.036 23.866 16.815
169 HA ILE 22 HA ILE 22 25.595 24.333 14.335
170 HB ILE 22 HB ILE 22 24.029 21.868 15.113
171 HG12 ILE 22 HG12 ILE 22 25.634 22.145 16.888
172 HG13 ILE 22 HG13 ILE 22 26.135 20.844 15.833
173 HG21 ILE 22 HG21 ILE 22 24.561 21.984 12.732
174 HG22 ILE 22 HG22 ILE 22 26.247 22.403 13.087
175 HG23 ILE 22 HG23 ILE 22 25.624 20.798 13.498
176 HD11 ILE 22 HD11 ILE 22 27.334 23.654 15.846
177 HD12 ILE 22 HD12 ILE 22 28.051 22.194 16.544
178 HD13 ILE 22 HD13 ILE 22 27.847 22.315 14.791
179 H GLY 23 H GLY 23 24.163 26.210 14.058
180 HA2 GLY 23 HA2 GLY 23 22.659 27.332 12.713
181 HA3 GLY 23 HA3 GLY 23 22.103 25.786 12.068
182 H GLU 24 H GLU 24 21.074 24.508 14.246
183 HA GLU 24 HA GLU 24 18.936 26.286 15.380
184 HB2 GLU 24 HB2 GLU 24 18.524 23.622 13.951
185 HB3 GLU 24 HB3 GLU 24 17.264 24.578 14.711
186 HG2 GLU 24 HG2 GLU 24 18.860 25.347 12.245
187 HG3 GLU 24 HG3 GLU 24 17.192 24.799 12.298
188 H GLU 25 H GLU 25 21.143 23.726 16.056
189 HA GLU 25 HA GLU 25 19.672 23.003 18.542
190 HB2 GLU 25 HB2 GLU 25 20.891 21.057 16.572
191 HB3 GLU 25 HB3 GLU 25 20.175 20.632 18.123
192 HG2 GLU 25 HG2 GLU 25 18.700 21.784 15.708
193 HG3 GLU 25 HG3 GLU 25 18.692 20.110 16.234
194 H CYS 26 H CYS 26 20.921 22.338 20.290
195 HA CYS 26 HA CYS 26 23.590 23.523 20.355
196 HB2 CYS 26 HB2 CYS 26 22.030 23.919 22.156
197 HB3 CYS 26 HB3 CYS 26 21.795 22.190 22.388
198 H LYS 27 H LYS 27 25.539 22.541 20.344
199 HA LYS 27 HA LYS 27 25.800 19.721 21.250
200 HB2 LYS 27 HB2 LYS 27 25.732 19.838 18.731
201 HB3 LYS 27 HB3 LYS 27 27.147 20.901 18.792
202 HG2 LYS 27 HG2 LYS 27 28.373 19.029 20.011
203 HG3 LYS 27 HG3 LYS 27 26.973 17.987 19.712
204 HD2 LYS 27 HD2 LYS 27 28.546 19.468 17.569
205 HD3 LYS 27 HD3 LYS 27 28.930 17.827 18.084
206 HE2 LYS 27 HE2 LYS 27 26.261 18.670 16.845
207 HE3 LYS 27 HE3 LYS 27 27.622 17.969 15.969
208 HZ1 LYS 27 HZ1 LYS 27 25.869 16.615 17.877
209 HZ2 LYS 27 HZ2 LYS 27 26.389 16.159 16.385
210 HZ3 LYS 27 HZ3 LYS 27 27.426 16.063 17.628
211 H CYS 28 H CYS 28 27.667 19.315 22.414
212 HA CYS 28 HA CYS 28 29.267 21.695 23.215
213 HB2 CYS 28 HB2 CYS 28 29.259 18.965 24.515
214 HB3 CYS 28 HB3 CYS 28 29.853 20.487 25.165
215 H VAL 29 H VAL 29 31.530 21.776 22.944
216 HA VAL 29 HA VAL 29 32.886 19.414 21.746
217 HB VAL 29 HB VAL 29 33.969 20.771 20.006
218 HG11 VAL 29 HG11 VAL 29 32.034 19.308 19.483
219 HG12 VAL 29 HG12 VAL 29 30.946 20.699 19.682
220 HG13 VAL 29 HG13 VAL 29 32.170 20.698 18.397
221 HG21 VAL 29 HG21 VAL 29 31.845 22.869 20.608
222 HG22 VAL 29 HG22 VAL 29 33.598 23.049 20.870
223 HG23 VAL 29 HG23 VAL 29 32.967 22.862 19.230
224 H TYR 30 H TYR 30 34.944 19.146 22.169
225 HA TYR 30 HA TYR 30 36.035 19.957 24.506
226 HB2 TYR 30 HB2 TYR 30 37.696 19.081 22.135
227 HB3 TYR 30 HB3 TYR 30 38.014 18.804 23.844
228 HD1 TYR 30 HD1 TYR 30 36.081 17.468 25.137
229 HD2 TYR 30 HD2 TYR 30 36.781 17.319 20.881
230 HE1 TYR 30 HE1 TYR 30 34.819 15.324 24.998
231 HE2 TYR 30 HE2 TYR 30 35.540 15.172 20.755
232 HH TYR 30 HH TYR 30 34.631 13.443 21.984
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 14.085 29.942 12.769
2 H2 ALA 1 H2 ALA 1 13.126 28.622 12.972
3 H3 ALA 1 H3 ALA 1 14.768 28.450 12.978
4 HA ALA 1 HA ALA 1 13.331 30.124 14.913
5 HB1 ALA 1 HB1 ALA 1 13.628 28.256 16.563
6 HB2 ALA 1 HB2 ALA 1 12.465 27.893 15.279
7 HB3 ALA 1 HB3 ALA 1 14.100 27.192 15.224
8 H PHE 2 H PHE 2 14.626 30.889 16.588
9 HA PHE 2 HA PHE 2 17.453 31.219 15.987
10 HB2 PHE 2 HB2 PHE 2 15.722 31.997 18.357
11 HB3 PHE 2 HB3 PHE 2 17.434 32.377 18.236
12 HD1 PHE 2 HD1 PHE 2 14.074 33.309 17.115
13 HD2 PHE 2 HD2 PHE 2 18.296 33.876 16.446
14 HE1 PHE 2 HE1 PHE 2 13.595 35.398 15.860
15 HE2 PHE 2 HE2 PHE 2 17.812 35.960 15.203
16 HZ PHE 2 HZ PHE 2 15.465 36.735 14.907
17 H CYS 3 H CYS 3 19.232 30.491 17.095
18 HA CYS 3 HA CYS 3 18.987 27.961 18.564
19 HB2 CYS 3 HB2 CYS 3 20.701 28.225 16.889
20 HB3 CYS 3 HB3 CYS 3 21.352 29.637 17.716
21 H ASN 4 H ASN 4 19.116 27.658 20.705
22 HA ASN 4 HA ASN 4 19.361 29.891 22.610
23 HB2 ASN 4 HB2 ASN 4 18.770 26.907 22.840
24 HB3 ASN 4 HB3 ASN 4 19.004 27.946 24.237
25 HD21 ASN 4 HD21 ASN 4 15.480 28.172 22.272
26 HD22 ASN 4 HD22 ASN 4 16.857 27.376 21.479
27 H LEU 5 H LEU 5 21.697 30.325 21.813
28 HA LEU 5 HA LEU 5 23.754 28.435 22.401
29 HB2 LEU 5 HB2 LEU 5 24.047 30.368 20.884
30 HB3 LEU 5 HB3 LEU 5 23.912 31.472 22.248
31 HG LEU 5 HG LEU 5 25.987 30.570 23.233
32 HD11 LEU 5 HD11 LEU 5 26.113 28.795 20.752
33 HD12 LEU 5 HD12 LEU 5 27.442 29.044 21.906
34 HD13 LEU 5 HD13 LEU 5 25.967 28.243 22.441
35 HD21 LEU 5 HD21 LEU 5 27.559 31.420 21.563
36 HD22 LEU 5 HD22 LEU 5 26.323 31.276 20.292
37 HD23 LEU 5 HD23 LEU 5 26.110 32.433 21.621
38 H ARG 6 H ARG 6 22.386 31.066 24.435
39 HA ARG 6 HA ARG 6 24.214 30.714 26.631
40 HB2 ARG 6 HB2 ARG 6 21.491 31.975 26.409
41 HB3 ARG 6 HB3 ARG 6 22.411 31.957 27.926
42 HG2 ARG 6 HG2 ARG 6 24.285 33.090 26.878
43 HG3 ARG 6 HG3 ARG 6 23.509 33.072 25.294
44 HD2 ARG 6 HD2 ARG 6 22.409 34.478 27.760
45 HD3 ARG 6 HD3 ARG 6 23.403 35.241 26.508
46 HE ARG 6 HE ARG 6 20.799 33.905 25.874
47 HH11 ARG 6 HH11 ARG 6 22.678 36.897 25.694
48 HH12 ARG 6 HH12 ARG 6 21.689 37.503 24.391
49 HH21 ARG 6 HH21 ARG 6 19.609 34.796 24.209
50 HH22 ARG 6 HH22 ARG 6 19.951 36.448 23.732
51 H ARG 7 H ARG 7 20.850 29.428 26.297
52 HA ARG 7 HA ARG 7 21.040 27.857 28.731
53 HB2 ARG 7 HB2 ARG 7 19.159 27.524 26.366
54 HB3 ARG 7 HB3 ARG 7 19.046 26.642 27.890
55 HG2 ARG 7 HG2 ARG 7 18.879 28.881 29.083
56 HG3 ARG 7 HG3 ARG 7 18.675 29.637 27.509
57 HD2 ARG 7 HD2 ARG 7 16.913 27.528 28.779
58 HD3 ARG 7 HD3 ARG 7 16.512 29.228 28.595
59 HE ARG 7 HE ARG 7 16.694 28.705 26.028
60 HH11 ARG 7 HH11 ARG 7 15.365 26.311 28.326
61 HH12 ARG 7 HH12 ARG 7 14.142 25.883 27.139
62 HH21 ARG 7 HH21 ARG 7 15.199 27.875 24.641
63 HH22 ARG 7 HH22 ARG 7 14.339 26.420 25.104
64 H CYS 8 H CYS 8 22.327 27.251 25.579
65 HA CYS 8 HA CYS 8 22.858 24.401 26.072
66 HB2 CYS 8 HB2 CYS 8 22.478 25.247 23.845
67 HB3 CYS 8 HB3 CYS 8 23.782 26.412 24.016
68 H GLU 9 H GLU 9 24.960 27.349 25.844
69 HA GLU 9 HA GLU 9 27.406 26.185 26.489
70 HB2 GLU 9 HB2 GLU 9 26.215 28.941 26.767
71 HB3 GLU 9 HB3 GLU 9 27.782 28.653 27.481
72 HG2 GLU 9 HG2 GLU 9 27.382 27.799 24.609
73 HG3 GLU 9 HG3 GLU 9 27.528 29.519 24.980
74 H LEU 10 H LEU 10 25.005 27.472 28.841
75 HA LEU 10 HA LEU 10 26.630 27.041 31.146
76 HB2 LEU 10 HB2 LEU 10 24.773 27.574 32.400
77 HB3 LEU 10 HB3 LEU 10 24.557 28.415 30.882
78 HG LEU 10 HG LEU 10 23.019 26.365 30.257
79 HD11 LEU 10 HD11 LEU 10 22.940 26.339 33.316
80 HD12 LEU 10 HD12 LEU 10 21.811 25.482 32.247
81 HD13 LEU 10 HD13 LEU 10 23.506 25.005 32.308
82 HD21 LEU 10 HD21 LEU 10 21.090 27.555 31.243
83 HD22 LEU 10 HD22 LEU 10 22.184 28.464 32.309
84 HD23 LEU 10 HD23 LEU 10 22.252 28.706 30.555
85 H SER 11 H SER 11 24.690 24.743 29.322
86 HA SER 11 HA SER 11 24.948 22.584 31.292
87 HB2 SER 11 HB2 SER 11 23.931 21.192 29.771
88 HB3 SER 11 HB3 SER 11 23.153 22.764 29.507
89 HG SER 11 HG SER 11 24.539 22.968 27.649
90 H CYS 12 H CYS 12 26.608 23.428 28.252
91 HA CYS 12 HA CYS 12 28.529 21.344 28.277
92 HB2 CYS 12 HB2 CYS 12 28.996 24.152 27.231
93 HB3 CYS 12 HB3 CYS 12 29.707 22.640 26.652
94 H ARG 13 H ARG 13 28.400 24.375 30.043
95 HA ARG 13 HA ARG 13 31.060 24.386 31.141
96 HB2 ARG 13 HB2 ARG 13 28.938 26.128 31.278
97 HB3 ARG 13 HB3 ARG 13 28.788 25.361 32.841
98 HG2 ARG 13 HG2 ARG 13 30.203 27.020 33.474
99 HG3 ARG 13 HG3 ARG 13 31.446 25.891 32.937
100 HD2 ARG 13 HD2 ARG 13 30.258 28.259 31.442
101 HD3 ARG 13 HD3 ARG 13 31.916 28.092 32.021
102 HE ARG 13 HE ARG 13 32.191 26.230 30.332
103 HH11 ARG 13 HH11 ARG 13 29.911 28.869 29.502
104 HH12 ARG 13 HH12 ARG 13 29.815 28.187 27.875
105 HH21 ARG 13 HH21 ARG 13 31.712 25.518 28.270
106 HH22 ARG 13 HH22 ARG 13 30.761 26.595 27.246
107 H SER 14 H SER 14 28.159 22.598 32.163
108 HA SER 14 HA SER 14 29.236 21.591 34.648
109 HB2 SER 14 HB2 SER 14 26.828 21.536 34.162
110 HB3 SER 14 HB3 SER 14 27.118 20.438 32.795
111 HG SER 14 HG SER 14 26.994 19.910 35.487
112 H LEU 15 H LEU 15 29.436 20.498 31.275
113 HA LEU 15 HA LEU 15 30.927 18.054 31.906
114 HB2 LEU 15 HB2 LEU 15 30.874 19.394 29.220
115 HB3 LEU 15 HB3 LEU 15 31.000 17.684 29.602
116 HG LEU 15 HG LEU 15 28.548 19.452 29.690
117 HD11 LEU 15 HD11 LEU 15 27.740 17.999 27.892
118 HD12 LEU 15 HD12 LEU 15 29.241 18.822 27.458
119 HD13 LEU 15 HD13 LEU 15 29.276 17.102 27.917
120 HD21 LEU 15 HD21 LEU 15 28.360 17.754 31.504
121 HD22 LEU 15 HD22 LEU 15 27.250 17.379 30.184
122 HD23 LEU 15 HD23 LEU 15 28.769 16.470 30.343
123 H GLY 16 H GLY 16 31.733 21.398 31.490
124 HA2 GLY 16 HA2 GLY 16 33.754 22.470 31.864
125 HA3 GLY 16 HA3 GLY 16 34.611 20.930 31.851
126 H LEU 17 H LEU 17 32.450 21.943 29.213
127 HA LEU 17 HA LEU 17 34.715 22.700 27.463
128 HB2 LEU 17 HB2 LEU 17 33.623 21.270 25.640
129 HB3 LEU 17 HB3 LEU 17 34.703 20.510 26.771
130 HG LEU 17 HG LEU 17 31.844 20.391 27.591
131 HD11 LEU 17 HD11 LEU 17 31.092 18.812 25.993
132 HD12 LEU 17 HD12 LEU 17 31.622 20.263 25.124
133 HD13 LEU 17 HD13 LEU 17 32.648 18.814 25.129
134 HD21 LEU 17 HD21 LEU 17 33.704 19.007 28.594
135 HD22 LEU 17 HD22 LEU 17 32.467 17.969 27.854
136 HD23 LEU 17 HD23 LEU 17 33.984 18.267 27.005
137 H LEU 18 H LEU 18 33.831 23.401 25.235
138 HA LEU 18 HA LEU 18 31.932 25.573 25.749
139 HB2 LEU 18 HB2 LEU 18 33.702 24.780 23.424
140 HB3 LEU 18 HB3 LEU 18 32.529 26.082 23.269
141 HG LEU 18 HG LEU 18 34.525 26.093 25.539
142 HD11 LEU 18 HD11 LEU 18 35.840 25.913 23.455
143 HD12 LEU 18 HD12 LEU 18 34.912 27.248 22.739
144 HD13 LEU 18 HD13 LEU 18 35.972 27.544 24.134
145 HD21 LEU 18 HD21 LEU 18 32.621 27.675 25.661
146 HD22 LEU 18 HD22 LEU 18 34.176 28.494 25.484
147 HD23 LEU 18 HD23 LEU 18 33.095 28.347 24.086
148 H GLY 19 H GLY 19 30.136 26.064 24.659
149 HA2 GLY 19 HA2 GLY 19 28.650 23.907 23.205
150 HA3 GLY 19 HA3 GLY 19 27.932 25.312 23.976
151 H LYS 20 H LYS 20 27.816 24.237 21.159
152 HA LYS 20 HA LYS 20 28.509 26.726 19.654
153 HB2 LYS 20 HB2 LYS 20 30.176 24.653 19.556
154 HB3 LYS 20 HB3 LYS 20 28.953 23.945 18.517
155 HG2 LYS 20 HG2 LYS 20 30.181 24.970 16.875
156 HG3 LYS 20 HG3 LYS 20 29.187 26.364 17.301
157 HD2 LYS 20 HD2 LYS 20 31.437 27.160 17.274
158 HD3 LYS 20 HD3 LYS 20 31.024 26.981 18.996
159 HE2 LYS 20 HE2 LYS 20 32.144 24.726 18.982
160 HE3 LYS 20 HE3 LYS 20 32.575 24.973 17.287
161 HZ1 LYS 20 HZ1 LYS 20 33.494 26.704 19.524
162 HZ2 LYS 20 HZ2 LYS 20 34.388 25.516 18.763
163 HZ3 LYS 20 HZ3 LYS 20 33.902 26.872 17.959
164 H CYS 21 H CYS 21 26.856 27.404 18.284
165 HA CYS 21 HA CYS 21 24.411 25.818 18.031
166 HB2 CYS 21 HB2 CYS 21 25.330 28.462 16.900
167 HB3 CYS 21 HB3 CYS 21 23.793 27.720 16.483
168 H ILE 22 H ILE 22 23.853 24.471 16.463
169 HA ILE 22 HA ILE 22 25.404 24.358 13.907
170 HB ILE 22 HB ILE 22 24.444 21.920 15.429
171 HG12 ILE 22 HG12 ILE 22 27.187 23.237 15.352
172 HG13 ILE 22 HG13 ILE 22 26.200 22.868 16.762
173 HG21 ILE 22 HG21 ILE 22 25.767 20.713 13.734
174 HG22 ILE 22 HG22 ILE 22 24.567 21.721 12.939
175 HG23 ILE 22 HG23 ILE 22 26.262 22.245 12.995
176 HD11 ILE 22 HD11 ILE 22 27.674 20.867 15.029
177 HD12 ILE 22 HD12 ILE 22 28.010 21.321 16.706
178 HD13 ILE 22 HD13 ILE 22 26.525 20.428 16.320
179 H GLY 23 H GLY 23 23.722 25.841 13.300
180 HA2 GLY 23 HA2 GLY 23 21.711 26.306 12.180
181 HA3 GLY 23 HA3 GLY 23 21.172 24.638 12.414
182 H GLU 24 H GLU 24 19.118 25.224 13.274
183 HA GLU 24 HA GLU 24 18.728 27.241 15.241
184 HB2 GLU 24 HB2 GLU 24 16.450 26.553 15.232
185 HB3 GLU 24 HB3 GLU 24 17.067 26.671 13.602
186 HG2 GLU 24 HG2 GLU 24 17.079 23.948 14.915
187 HG3 GLU 24 HG3 GLU 24 15.541 24.676 14.472
188 H GLU 25 H GLU 25 20.321 24.528 16.034
189 HA GLU 25 HA GLU 25 19.560 24.731 18.868
190 HB2 GLU 25 HB2 GLU 25 19.625 22.064 17.401
191 HB3 GLU 25 HB3 GLU 25 19.632 22.233 19.145
192 HG2 GLU 25 HG2 GLU 25 17.370 23.084 17.290
193 HG3 GLU 25 HG3 GLU 25 17.425 21.627 18.268
194 H CYS 26 H CYS 26 21.181 24.068 20.324
195 HA CYS 26 HA CYS 26 23.915 24.088 19.144
196 HB2 CYS 26 HB2 CYS 26 23.441 26.029 20.363
197 HB3 CYS 26 HB3 CYS 26 22.683 25.160 21.677
198 H LYS 27 H LYS 27 25.581 22.974 20.097
199 HA LYS 27 HA LYS 27 25.036 20.569 21.770
200 HB2 LYS 27 HB2 LYS 27 24.695 19.891 19.447
201 HB3 LYS 27 HB3 LYS 27 26.204 20.642 18.953
202 HG2 LYS 27 HG2 LYS 27 27.489 19.002 20.243
203 HG3 LYS 27 HG3 LYS 27 25.994 18.225 20.811
204 HD2 LYS 27 HD2 LYS 27 26.639 18.570 17.853
205 HD3 LYS 27 HD3 LYS 27 27.249 17.194 18.768
206 HE2 LYS 27 HE2 LYS 27 25.125 16.300 19.185
207 HE3 LYS 27 HE3 LYS 27 24.289 17.815 18.804
208 HZ1 LYS 27 HZ1 LYS 27 25.809 16.378 16.708
209 HZ2 LYS 27 HZ2 LYS 27 24.251 16.004 17.042
210 HZ3 LYS 27 HZ3 LYS 27 24.646 17.524 16.547
211 H CYS 28 H CYS 28 26.829 19.932 22.991
212 HA CYS 28 HA CYS 28 29.020 21.865 23.225
213 HB2 CYS 28 HB2 CYS 28 28.787 19.315 24.795
214 HB3 CYS 28 HB3 CYS 28 29.581 20.819 25.216
215 H VAL 29 H VAL 29 31.261 21.474 23.055
216 HA VAL 29 HA VAL 29 32.216 18.983 21.736
217 HB VAL 29 HB VAL 29 33.632 20.465 20.225
218 HG11 VAL 29 HG11 VAL 29 30.653 20.256 19.626
219 HG12 VAL 29 HG12 VAL 29 31.949 20.498 18.442
220 HG13 VAL 29 HG13 VAL 29 31.895 18.999 19.368
221 HG21 VAL 29 HG21 VAL 29 31.362 22.472 20.694
222 HG22 VAL 29 HG22 VAL 29 33.065 22.685 21.167
223 HG23 VAL 29 HG23 VAL 29 32.619 22.580 19.459
224 H TYR 30 H TYR 30 34.078 18.310 22.522
225 HA TYR 30 HA TYR 30 35.514 19.550 24.675
226 HB2 TYR 30 HB2 TYR 30 36.154 17.259 22.806
227 HB3 TYR 30 HB3 TYR 30 37.280 17.822 24.015
228 HD1 TYR 30 HD1 TYR 30 34.089 16.044 23.493
229 HD2 TYR 30 HD2 TYR 30 36.946 17.489 26.386
230 HE1 TYR 30 HE1 TYR 30 33.186 14.453 25.180
231 HE2 TYR 30 HE2 TYR 30 36.020 15.918 28.079
232 HH TYR 30 HH TYR 30 33.661 13.406 27.181
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 14.352 25.857 14.299
2 H2 ALA 1 H2 ALA 1 14.618 26.876 13.037
3 H3 ALA 1 H3 ALA 1 13.090 26.388 13.390
4 HA ALA 1 HA ALA 1 13.542 28.668 14.076
5 HB1 ALA 1 HB1 ALA 1 12.922 26.729 16.347
6 HB2 ALA 1 HB2 ALA 1 12.536 28.464 16.306
7 HB3 ALA 1 HB3 ALA 1 11.748 27.366 15.172
8 H PHE 2 H PHE 2 14.702 30.129 15.379
9 HA PHE 2 HA PHE 2 17.450 29.731 15.558
10 HB2 PHE 2 HB2 PHE 2 15.767 31.670 17.182
11 HB3 PHE 2 HB3 PHE 2 17.500 31.781 16.950
12 HD1 PHE 2 HD1 PHE 2 14.458 33.091 15.844
13 HD2 PHE 2 HD2 PHE 2 18.277 31.751 14.352
14 HE1 PHE 2 HE1 PHE 2 14.207 34.574 13.871
15 HE2 PHE 2 HE2 PHE 2 18.028 33.236 12.379
16 HZ PHE 2 HZ PHE 2 15.994 34.656 12.140
17 H CYS 3 H CYS 3 18.935 29.079 17.003
18 HA CYS 3 HA CYS 3 18.043 27.191 18.932
19 HB2 CYS 3 HB2 CYS 3 20.436 26.672 19.146
20 HB3 CYS 3 HB3 CYS 3 19.907 26.836 17.485
21 H ASN 4 H ASN 4 18.223 26.960 21.075
22 HA ASN 4 HA ASN 4 18.300 29.147 22.905
23 HB2 ASN 4 HB2 ASN 4 18.353 26.121 23.313
24 HB3 ASN 4 HB3 ASN 4 17.949 27.317 24.541
25 HD21 ASN 4 HD21 ASN 4 14.681 27.960 23.270
26 HD22 ASN 4 HD22 ASN 4 16.002 28.562 24.272
27 H LEU 5 H LEU 5 20.671 29.575 21.766
28 HA LEU 5 HA LEU 5 22.887 28.062 22.533
29 HB2 LEU 5 HB2 LEU 5 22.796 29.641 20.681
30 HB3 LEU 5 HB3 LEU 5 22.715 31.003 21.780
31 HG LEU 5 HG LEU 5 24.896 30.614 20.641
32 HD11 LEU 5 HD11 LEU 5 26.299 31.252 22.409
33 HD12 LEU 5 HD12 LEU 5 24.701 31.906 22.791
34 HD13 LEU 5 HD13 LEU 5 25.310 30.463 23.637
35 HD21 LEU 5 HD21 LEU 5 24.973 28.139 20.784
36 HD22 LEU 5 HD22 LEU 5 26.443 28.911 21.395
37 HD23 LEU 5 HD23 LEU 5 25.258 28.260 22.533
38 H ARG 6 H ARG 6 21.785 31.080 24.264
39 HA ARG 6 HA ARG 6 23.909 31.078 26.183
40 HB2 ARG 6 HB2 ARG 6 21.111 32.227 26.203
41 HB3 ARG 6 HB3 ARG 6 22.084 32.195 27.665
42 HG2 ARG 6 HG2 ARG 6 23.982 33.273 26.195
43 HG3 ARG 6 HG3 ARG 6 22.677 33.627 25.055
44 HD2 ARG 6 HD2 ARG 6 23.032 35.531 26.486
45 HD3 ARG 6 HD3 ARG 6 21.466 34.807 26.910
46 HE ARG 6 HE ARG 6 22.784 33.616 28.774
47 HH11 ARG 6 HH11 ARG 6 23.306 37.019 28.065
48 HH12 ARG 6 HH12 ARG 6 24.497 37.142 29.357
49 HH21 ARG 6 HH21 ARG 6 24.177 33.964 30.470
50 HH22 ARG 6 HH22 ARG 6 24.780 35.583 30.748
51 H ARG 7 H ARG 7 20.743 29.441 26.363
52 HA ARG 7 HA ARG 7 21.243 28.254 28.979
53 HB2 ARG 7 HB2 ARG 7 19.210 27.766 26.766
54 HB3 ARG 7 HB3 ARG 7 19.204 26.834 28.251
55 HG2 ARG 7 HG2 ARG 7 18.932 29.877 28.112
56 HG3 ARG 7 HG3 ARG 7 17.599 28.745 28.278
57 HD2 ARG 7 HD2 ARG 7 19.817 29.174 30.309
58 HD3 ARG 7 HD3 ARG 7 18.174 29.772 30.418
59 HE ARG 7 HE ARG 7 19.056 26.942 30.695
60 HH11 ARG 7 HH11 ARG 7 16.294 29.144 30.791
61 HH12 ARG 7 HH12 ARG 7 15.264 27.921 31.473
62 HH21 ARG 7 HH21 ARG 7 17.735 25.500 31.584
63 HH22 ARG 7 HH22 ARG 7 16.045 25.874 31.852
64 H CYS 8 H CYS 8 22.097 27.232 25.736
65 HA CYS 8 HA CYS 8 22.789 24.503 26.521
66 HB2 CYS 8 HB2 CYS 8 22.165 24.989 24.245
67 HB3 CYS 8 HB3 CYS 8 23.392 26.244 24.128
68 H GLU 9 H GLU 9 24.761 27.478 25.830
69 HA GLU 9 HA GLU 9 27.306 26.367 26.270
70 HB2 GLU 9 HB2 GLU 9 26.119 29.126 26.521
71 HB3 GLU 9 HB3 GLU 9 27.741 28.877 27.149
72 HG2 GLU 9 HG2 GLU 9 27.113 27.983 24.335
73 HG3 GLU 9 HG3 GLU 9 27.399 29.682 24.693
74 H LEU 10 H LEU 10 25.080 27.673 28.760
75 HA LEU 10 HA LEU 10 26.940 27.262 30.925
76 HB2 LEU 10 HB2 LEU 10 25.337 28.138 32.296
77 HB3 LEU 10 HB3 LEU 10 24.980 28.843 30.733
78 HG LEU 10 HG LEU 10 23.214 26.902 30.548
79 HD11 LEU 10 HD11 LEU 10 23.556 27.167 33.570
80 HD12 LEU 10 HD12 LEU 10 22.181 26.384 32.762
81 HD13 LEU 10 HD13 LEU 10 23.792 25.687 32.628
82 HD21 LEU 10 HD21 LEU 10 21.544 28.369 31.648
83 HD22 LEU 10 HD22 LEU 10 22.862 29.285 32.402
84 HD23 LEU 10 HD23 LEU 10 22.669 29.300 30.638
85 H SER 11 H SER 11 24.800 25.085 29.294
86 HA SER 11 HA SER 11 24.877 23.007 31.369
87 HB2 SER 11 HB2 SER 11 23.063 23.067 29.673
88 HB3 SER 11 HB3 SER 11 24.245 22.706 28.416
89 HG SER 11 HG SER 11 23.270 20.813 29.098
90 H CYS 12 H CYS 12 26.619 23.567 28.304
91 HA CYS 12 HA CYS 12 28.321 21.299 28.473
92 HB2 CYS 12 HB2 CYS 12 28.884 23.951 27.104
93 HB3 CYS 12 HB3 CYS 12 29.531 22.371 26.666
94 H ARG 13 H ARG 13 28.645 24.535 29.832
95 HA ARG 13 HA ARG 13 31.305 24.611 30.727
96 HB2 ARG 13 HB2 ARG 13 29.446 26.376 30.749
97 HB3 ARG 13 HB3 ARG 13 28.786 25.541 32.151
98 HG2 ARG 13 HG2 ARG 13 31.075 25.981 33.267
99 HG3 ARG 13 HG3 ARG 13 31.429 27.025 31.887
100 HD2 ARG 13 HD2 ARG 13 30.568 28.365 33.725
101 HD3 ARG 13 HD3 ARG 13 29.381 28.363 32.407
102 HE ARG 13 HE ARG 13 28.695 26.235 34.148
103 HH11 ARG 13 HH11 ARG 13 28.696 29.771 34.381
104 HH12 ARG 13 HH12 ARG 13 27.437 29.698 35.611
105 HH21 ARG 13 HH21 ARG 13 27.218 26.325 35.669
106 HH22 ARG 13 HH22 ARG 13 26.654 27.857 36.341
107 H SER 14 H SER 14 28.575 22.763 32.075
108 HA SER 14 HA SER 14 29.925 22.050 34.552
109 HB2 SER 14 HB2 SER 14 28.135 20.569 34.955
110 HB3 SER 14 HB3 SER 14 27.423 21.993 34.191
111 HG SER 14 HG SER 14 27.235 20.847 32.271
112 H LEU 15 H LEU 15 29.857 20.592 31.314
113 HA LEU 15 HA LEU 15 31.160 18.096 32.116
114 HB2 LEU 15 HB2 LEU 15 31.083 19.285 29.346
115 HB3 LEU 15 HB3 LEU 15 31.237 17.598 29.792
116 HG LEU 15 HG LEU 15 28.765 19.361 29.926
117 HD11 LEU 15 HD11 LEU 15 29.431 16.930 28.221
118 HD12 LEU 15 HD12 LEU 15 27.896 17.824 28.225
119 HD13 LEU 15 HD13 LEU 15 29.374 18.627 27.690
120 HD21 LEU 15 HD21 LEU 15 29.057 16.398 30.677
121 HD22 LEU 15 HD22 LEU 15 28.717 17.724 31.811
122 HD23 LEU 15 HD23 LEU 15 27.528 17.303 30.580
123 H GLY 16 H GLY 16 32.162 21.288 31.186
124 HA2 GLY 16 HA2 GLY 16 34.314 22.211 31.519
125 HA3 GLY 16 HA3 GLY 16 35.067 20.619 31.359
126 H LEU 17 H LEU 17 32.622 21.775 29.062
127 HA LEU 17 HA LEU 17 34.653 22.520 27.064
128 HB2 LEU 17 HB2 LEU 17 33.377 21.027 25.388
129 HB3 LEU 17 HB3 LEU 17 34.642 20.346 26.372
130 HG LEU 17 HG LEU 17 31.898 20.122 27.544
131 HD11 LEU 17 HD11 LEU 17 31.358 19.828 25.224
132 HD12 LEU 17 HD12 LEU 17 32.565 18.526 25.066
133 HD13 LEU 17 HD13 LEU 17 31.158 18.329 26.148
134 HD21 LEU 17 HD21 LEU 17 32.713 17.771 27.909
135 HD22 LEU 17 HD22 LEU 17 34.108 18.115 26.874
136 HD23 LEU 17 HD23 LEU 17 33.951 18.929 28.445
137 H LEU 18 H LEU 18 33.571 23.208 24.960
138 HA LEU 18 HA LEU 18 31.657 25.327 25.729
139 HB2 LEU 18 HB2 LEU 18 33.262 24.771 23.216
140 HB3 LEU 18 HB3 LEU 18 32.075 26.064 23.300
141 HG LEU 18 HG LEU 18 34.273 25.878 25.359
142 HD11 LEU 18 HD11 LEU 18 35.370 25.940 23.143
143 HD12 LEU 18 HD12 LEU 18 34.382 27.346 22.689
144 HD13 LEU 18 HD13 LEU 18 35.580 27.475 23.994
145 HD21 LEU 18 HD21 LEU 18 33.919 28.297 25.536
146 HD22 LEU 18 HD22 LEU 18 32.658 28.197 24.273
147 HD23 LEU 18 HD23 LEU 18 32.414 27.412 25.852
148 H GLY 19 H GLY 19 29.803 25.801 24.733
149 HA2 GLY 19 HA2 GLY 19 28.308 23.585 23.361
150 HA3 GLY 19 HA3 GLY 19 27.593 25.013 24.116
151 H LYS 20 H LYS 20 28.080 23.690 21.183
152 HA LYS 20 HA LYS 20 28.386 26.351 19.812
153 HB2 LYS 20 HB2 LYS 20 29.486 23.642 18.968
154 HB3 LYS 20 HB3 LYS 20 29.386 25.056 17.904
155 HG2 LYS 20 HG2 LYS 20 30.770 26.360 19.499
156 HG3 LYS 20 HG3 LYS 20 30.947 24.932 20.526
157 HD2 LYS 20 HD2 LYS 20 32.111 23.732 18.732
158 HD3 LYS 20 HD3 LYS 20 31.853 25.085 17.617
159 HE2 LYS 20 HE2 LYS 20 33.221 26.561 19.010
160 HE3 LYS 20 HE3 LYS 20 33.408 25.298 20.237
161 HZ1 LYS 20 HZ1 LYS 20 34.651 23.989 18.692
162 HZ2 LYS 20 HZ2 LYS 20 34.356 24.992 17.446
163 HZ3 LYS 20 HZ3 LYS 20 35.325 25.495 18.691
164 H CYS 21 H CYS 21 26.724 26.987 18.688
165 HA CYS 21 HA CYS 21 24.460 25.156 18.126
166 HB2 CYS 21 HB2 CYS 21 23.801 27.180 19.124
167 HB3 CYS 21 HB3 CYS 21 24.781 28.148 18.014
168 H ILE 22 H ILE 22 24.572 23.961 16.368
169 HA ILE 22 HA ILE 22 25.323 25.187 13.769
170 HB ILE 22 HB ILE 22 26.542 22.588 14.759
171 HG12 ILE 22 HG12 ILE 22 27.820 25.325 14.355
172 HG13 ILE 22 HG13 ILE 22 27.640 24.455 15.879
173 HG21 ILE 22 HG21 ILE 22 25.995 22.680 12.308
174 HG22 ILE 22 HG22 ILE 22 26.976 24.152 12.172
175 HG23 ILE 22 HG23 ILE 22 27.721 22.595 12.604
176 HD11 ILE 22 HD11 ILE 22 29.467 23.699 13.588
177 HD12 ILE 22 HD12 ILE 22 29.906 24.239 15.214
178 HD13 ILE 22 HD13 ILE 22 29.139 22.653 14.992
179 H GLY 23 H GLY 23 23.703 24.798 12.398
180 HA2 GLY 23 HA2 GLY 23 22.010 23.628 11.284
181 HA3 GLY 23 HA3 GLY 23 22.196 22.248 12.362
182 H GLU 24 H GLU 24 21.756 25.609 13.424
183 HA GLU 24 HA GLU 24 20.292 26.610 14.813
184 HB2 GLU 24 HB2 GLU 24 18.206 25.057 13.233
185 HB3 GLU 24 HB3 GLU 24 17.883 26.390 14.328
186 HG2 GLU 24 HG2 GLU 24 17.832 27.224 12.106
187 HG3 GLU 24 HG3 GLU 24 19.210 27.915 12.938
188 H GLU 25 H GLU 25 21.586 24.324 15.823
189 HA GLU 25 HA GLU 25 19.996 23.927 18.254
190 HB2 GLU 25 HB2 GLU 25 19.195 22.095 16.800
191 HB3 GLU 25 HB3 GLU 25 20.859 21.585 16.514
192 HG2 GLU 25 HG2 GLU 25 21.106 21.091 18.959
193 HG3 GLU 25 HG3 GLU 25 19.430 21.611 19.212
194 H CYS 26 H CYS 26 21.313 23.742 20.003
195 HA CYS 26 HA CYS 26 24.217 23.782 19.539
196 HB2 CYS 26 HB2 CYS 26 23.165 25.653 20.636
197 HB3 CYS 26 HB3 CYS 26 22.525 24.601 21.885
198 H LYS 27 H LYS 27 25.665 22.506 20.245
199 HA LYS 27 HA LYS 27 25.040 20.106 21.905
200 HB2 LYS 27 HB2 LYS 27 24.872 19.679 19.446
201 HB3 LYS 27 HB3 LYS 27 26.537 20.251 19.255
202 HG2 LYS 27 HG2 LYS 27 27.280 18.368 20.756
203 HG3 LYS 27 HG3 LYS 27 25.613 17.765 20.746
204 HD2 LYS 27 HD2 LYS 27 27.399 18.169 18.305
205 HD3 LYS 27 HD3 LYS 27 27.106 16.612 19.099
206 HE2 LYS 27 HE2 LYS 27 24.715 16.714 18.514
207 HE3 LYS 27 HE3 LYS 27 24.930 18.332 17.842
208 HZ1 LYS 27 HZ1 LYS 27 24.965 16.790 16.045
209 HZ2 LYS 27 HZ2 LYS 27 26.471 17.377 16.207
210 HZ3 LYS 27 HZ3 LYS 27 26.123 15.849 16.747
211 H CYS 28 H CYS 28 26.661 19.573 23.342
212 HA CYS 28 HA CYS 28 28.862 21.453 23.674
213 HB2 CYS 28 HB2 CYS 28 28.444 18.913 25.257
214 HB3 CYS 28 HB3 CYS 28 29.307 20.350 25.712
215 H VAL 29 H VAL 29 30.919 21.239 22.992
216 HA VAL 29 HA VAL 29 32.059 18.606 22.235
217 HB VAL 29 HB VAL 29 32.900 19.594 20.081
218 HG11 VAL 29 HG11 VAL 29 30.986 17.986 20.194
219 HG12 VAL 29 HG12 VAL 29 29.862 19.362 20.205
220 HG13 VAL 29 HG13 VAL 29 30.921 19.085 18.810
221 HG21 VAL 29 HG21 VAL 29 30.702 21.682 20.480
222 HG22 VAL 29 HG22 VAL 29 32.448 21.999 20.545
223 HG23 VAL 29 HG23 VAL 29 31.712 21.434 19.040
224 H TYR 30 H TYR 30 34.197 18.422 22.412
225 HA TYR 30 HA TYR 30 35.744 20.021 24.118
226 HB2 TYR 30 HB2 TYR 30 36.543 17.870 22.119
227 HB3 TYR 30 HB3 TYR 30 37.618 18.524 23.347
228 HD1 TYR 30 HD1 TYR 30 34.719 16.321 22.750
229 HD2 TYR 30 HD2 TYR 30 37.327 18.051 25.715
230 HE1 TYR 30 HE1 TYR 30 33.830 14.753 24.439
231 HE2 TYR 30 HE2 TYR 30 36.471 16.437 27.400
232 HH TYR 30 HH TYR 30 33.809 14.144 26.625
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 12.807 34.643 17.693
2 H2 ALA 1 H2 ALA 1 12.928 33.316 16.747
3 H3 ALA 1 H3 ALA 1 13.895 34.646 16.473
4 HA ALA 1 HA ALA 1 15.060 34.359 18.477
5 HB1 ALA 1 HB1 ALA 1 14.576 32.432 19.957
6 HB2 ALA 1 HB2 ALA 1 13.216 33.571 19.868
7 HB3 ALA 1 HB3 ALA 1 13.155 32.033 18.975
8 H PHE 2 H PHE 2 17.004 33.657 17.989
9 HA PHE 2 HA PHE 2 17.507 31.470 16.092
10 HB2 PHE 2 HB2 PHE 2 19.438 33.017 17.843
11 HB3 PHE 2 HB3 PHE 2 19.828 32.079 16.413
12 HD1 PHE 2 HD1 PHE 2 18.480 32.856 14.193
13 HD2 PHE 2 HD2 PHE 2 19.343 35.352 17.603
14 HE1 PHE 2 HE1 PHE 2 18.306 34.891 12.762
15 HE2 PHE 2 HE2 PHE 2 19.207 37.365 16.163
16 HZ PHE 2 HZ PHE 2 18.689 37.137 13.741
17 H CYS 3 H CYS 3 19.294 29.854 16.801
18 HA CYS 3 HA CYS 3 18.393 28.088 18.766
19 HB2 CYS 3 HB2 CYS 3 20.717 27.110 18.641
20 HB3 CYS 3 HB3 CYS 3 19.849 27.300 17.120
21 H ASN 4 H ASN 4 18.766 27.625 20.834
22 HA ASN 4 HA ASN 4 19.168 29.888 22.567
23 HB2 ASN 4 HB2 ASN 4 18.588 26.976 23.260
24 HB3 ASN 4 HB3 ASN 4 18.341 28.386 24.292
25 HD21 ASN 4 HD21 ASN 4 15.427 29.447 22.272
26 HD22 ASN 4 HD22 ASN 4 16.948 30.201 22.671
27 H LEU 5 H LEU 5 21.507 29.948 21.683
28 HA LEU 5 HA LEU 5 23.487 28.126 22.418
29 HB2 LEU 5 HB2 LEU 5 23.625 29.818 20.645
30 HB3 LEU 5 HB3 LEU 5 23.670 31.107 21.845
31 HG LEU 5 HG LEU 5 25.877 30.374 22.625
32 HD11 LEU 5 HD11 LEU 5 25.628 28.174 20.525
33 HD12 LEU 5 HD12 LEU 5 27.133 28.631 21.351
34 HD13 LEU 5 HD13 LEU 5 25.803 27.963 22.290
35 HD21 LEU 5 HD21 LEU 5 25.724 30.527 19.579
36 HD22 LEU 5 HD22 LEU 5 25.708 31.914 20.685
37 HD23 LEU 5 HD23 LEU 5 27.144 30.885 20.578
38 H ARG 6 H ARG 6 22.227 30.802 24.440
39 HA ARG 6 HA ARG 6 24.405 30.645 26.384
40 HB2 ARG 6 HB2 ARG 6 22.225 32.400 25.894
41 HB3 ARG 6 HB3 ARG 6 21.809 31.624 27.404
42 HG2 ARG 6 HG2 ARG 6 23.017 33.656 27.877
43 HG3 ARG 6 HG3 ARG 6 24.030 32.293 28.344
44 HD2 ARG 6 HD2 ARG 6 25.303 34.075 27.206
45 HD3 ARG 6 HD3 ARG 6 25.381 32.545 26.356
46 HE ARG 6 HE ARG 6 23.468 34.717 25.560
47 HH11 ARG 6 HH11 ARG 6 25.900 32.337 24.539
48 HH12 ARG 6 HH12 ARG 6 25.881 33.012 22.921
49 HH21 ARG 6 HH21 ARG 6 23.434 35.295 23.409
50 HH22 ARG 6 HH22 ARG 6 24.226 34.290 22.231
51 H ARG 7 H ARG 7 21.193 29.215 26.152
52 HA ARG 7 HA ARG 7 21.255 27.791 28.699
53 HB2 ARG 7 HB2 ARG 7 19.610 27.211 26.198
54 HB3 ARG 7 HB3 ARG 7 19.335 26.559 27.816
55 HG2 ARG 7 HG2 ARG 7 18.952 28.906 28.652
56 HG3 ARG 7 HG3 ARG 7 19.080 29.475 26.975
57 HD2 ARG 7 HD2 ARG 7 17.220 27.902 26.355
58 HD3 ARG 7 HD3 ARG 7 17.039 27.497 28.076
59 HE ARG 7 HE ARG 7 16.884 30.282 27.974
60 HH11 ARG 7 HH11 ARG 7 15.003 27.656 26.623
61 HH12 ARG 7 HH12 ARG 7 13.521 28.574 26.697
62 HH21 ARG 7 HH21 ARG 7 15.010 31.497 27.747
63 HH22 ARG 7 HH22 ARG 7 13.613 30.750 27.007
64 H CYS 8 H CYS 8 22.312 27.023 25.445
65 HA CYS 8 HA CYS 8 23.133 24.296 25.989
66 HB2 CYS 8 HB2 CYS 8 22.631 25.192 23.779
67 HB3 CYS 8 HB3 CYS 8 23.910 26.384 23.942
68 H GLU 9 H GLU 9 25.027 27.390 25.758
69 HA GLU 9 HA GLU 9 27.535 26.411 26.488
70 HB2 GLU 9 HB2 GLU 9 26.188 29.102 26.845
71 HB3 GLU 9 HB3 GLU 9 27.826 28.837 27.432
72 HG2 GLU 9 HG2 GLU 9 28.640 28.265 25.232
73 HG3 GLU 9 HG3 GLU 9 27.032 28.318 24.539
74 H LEU 10 H LEU 10 24.907 27.381 28.770
75 HA LEU 10 HA LEU 10 26.565 26.930 31.092
76 HB2 LEU 10 HB2 LEU 10 24.765 27.507 32.371
77 HB3 LEU 10 HB3 LEU 10 24.544 28.384 30.880
78 HG LEU 10 HG LEU 10 22.952 26.392 30.251
79 HD11 LEU 10 HD11 LEU 10 21.731 25.468 32.160
80 HD12 LEU 10 HD12 LEU 10 23.432 25.026 32.314
81 HD13 LEU 10 HD13 LEU 10 22.775 26.342 33.294
82 HD21 LEU 10 HD21 LEU 10 22.281 28.763 30.555
83 HD22 LEU 10 HD22 LEU 10 21.068 27.654 31.218
84 HD23 LEU 10 HD23 LEU 10 22.186 28.504 32.304
85 H SER 11 H SER 11 24.454 24.738 29.253
86 HA SER 11 HA SER 11 24.723 22.509 31.104
87 HB2 SER 11 HB2 SER 11 24.131 22.519 28.117
88 HB3 SER 11 HB3 SER 11 23.992 21.117 29.188
89 HG SER 11 HG SER 11 22.534 22.497 30.469
90 H CYS 12 H CYS 12 26.676 23.609 28.321
91 HA CYS 12 HA CYS 12 28.426 21.292 28.422
92 HB2 CYS 12 HB2 CYS 12 28.966 23.962 27.099
93 HB3 CYS 12 HB3 CYS 12 29.661 22.381 26.699
94 H ARG 13 H ARG 13 28.487 24.516 29.926
95 HA ARG 13 HA ARG 13 31.099 24.547 30.994
96 HB2 ARG 13 HB2 ARG 13 29.376 26.394 30.999
97 HB3 ARG 13 HB3 ARG 13 28.527 25.531 32.286
98 HG2 ARG 13 HG2 ARG 13 30.683 25.728 33.672
99 HG3 ARG 13 HG3 ARG 13 31.311 26.747 32.361
100 HD2 ARG 13 HD2 ARG 13 30.435 28.191 34.064
101 HD3 ARG 13 HD3 ARG 13 29.319 28.260 32.699
102 HE ARG 13 HE ARG 13 27.814 26.719 33.924
103 HH11 ARG 13 HH11 ARG 13 30.258 28.274 36.057
104 HH12 ARG 13 HH12 ARG 13 29.089 28.183 37.370
105 HH21 ARG 13 HH21 ARG 13 26.660 26.557 35.751
106 HH22 ARG 13 HH22 ARG 13 27.267 27.289 37.243
107 H SER 14 H SER 14 28.209 22.847 32.265
108 HA SER 14 HA SER 14 29.415 21.910 34.690
109 HB2 SER 14 HB2 SER 14 27.240 20.651 32.979
110 HB3 SER 14 HB3 SER 14 27.687 20.110 34.604
111 HG SER 14 HG SER 14 27.010 22.041 35.451
112 H LEU 15 H LEU 15 29.587 20.600 31.350
113 HA LEU 15 HA LEU 15 31.026 18.179 32.131
114 HB2 LEU 15 HB2 LEU 15 31.129 19.493 29.411
115 HB3 LEU 15 HB3 LEU 15 31.331 17.798 29.824
116 HG LEU 15 HG LEU 15 28.773 19.406 29.728
117 HD11 LEU 15 HD11 LEU 15 28.167 17.839 27.929
118 HD12 LEU 15 HD12 LEU 15 29.624 18.762 27.561
119 HD13 LEU 15 HD13 LEU 15 29.762 17.064 28.067
120 HD21 LEU 15 HD21 LEU 15 28.571 17.746 31.571
121 HD22 LEU 15 HD22 LEU 15 27.608 17.231 30.187
122 HD23 LEU 15 HD23 LEU 15 29.176 16.466 30.499
123 H GLY 16 H GLY 16 31.908 21.489 31.371
124 HA2 GLY 16 HA2 GLY 16 33.996 22.540 31.751
125 HA3 GLY 16 HA3 GLY 16 34.808 20.982 31.787
126 H LEU 17 H LEU 17 32.522 22.082 29.256
127 HA LEU 17 HA LEU 17 34.709 22.761 27.418
128 HB2 LEU 17 HB2 LEU 17 33.673 21.314 25.613
129 HB3 LEU 17 HB3 LEU 17 34.731 20.556 26.769
130 HG LEU 17 HG LEU 17 31.843 20.415 27.524
131 HD11 LEU 17 HD11 LEU 17 31.682 20.261 25.085
132 HD12 LEU 17 HD12 LEU 17 32.798 18.880 25.092
133 HD13 LEU 17 HD13 LEU 17 31.222 18.757 25.915
134 HD21 LEU 17 HD21 LEU 17 32.494 17.998 27.808
135 HD22 LEU 17 HD22 LEU 17 34.037 18.363 27.035
136 HD23 LEU 17 HD23 LEU 17 33.671 19.066 28.625
137 H LEU 18 H LEU 18 33.797 23.520 25.254
138 HA LEU 18 HA LEU 18 31.842 25.611 25.862
139 HB2 LEU 18 HB2 LEU 18 33.535 24.877 23.457
140 HB3 LEU 18 HB3 LEU 18 32.303 26.127 23.337
141 HG LEU 18 HG LEU 18 34.443 26.235 25.483
142 HD11 LEU 18 HD11 LEU 18 35.571 26.149 23.302
143 HD12 LEU 18 HD12 LEU 18 34.521 27.445 22.687
144 HD13 LEU 18 HD13 LEU 18 35.677 27.780 23.993
145 HD21 LEU 18 HD21 LEU 18 33.939 28.649 25.446
146 HD22 LEU 18 HD22 LEU 18 32.712 28.391 24.191
147 HD23 LEU 18 HD23 LEU 18 32.486 27.720 25.823
148 H GLY 19 H GLY 19 30.092 26.118 24.502
149 HA2 GLY 19 HA2 GLY 19 28.653 23.793 23.275
150 HA3 GLY 19 HA3 GLY 19 27.815 25.087 24.120
151 H LYS 20 H LYS 20 28.021 24.046 21.179
152 HA LYS 20 HA LYS 20 28.206 26.706 19.843
153 HB2 LYS 20 HB2 LYS 20 29.665 24.202 18.915
154 HB3 LYS 20 HB3 LYS 20 29.478 25.660 17.948
155 HG2 LYS 20 HG2 LYS 20 30.963 25.534 20.609
156 HG3 LYS 20 HG3 LYS 20 31.706 25.430 19.022
157 HD2 LYS 20 HD2 LYS 20 31.022 27.706 18.452
158 HD3 LYS 20 HD3 LYS 20 30.117 27.844 19.976
159 HE2 LYS 20 HE2 LYS 20 32.284 27.413 21.213
160 HE3 LYS 20 HE3 LYS 20 33.138 27.528 19.674
161 HZ1 LYS 20 HZ1 LYS 20 31.397 29.666 20.795
162 HZ2 LYS 20 HZ2 LYS 20 33.003 29.660 20.990
163 HZ3 LYS 20 HZ3 LYS 20 32.463 29.817 19.479
164 H CYS 21 H CYS 21 26.982 26.963 18.040
165 HA CYS 21 HA CYS 21 24.627 25.146 17.900
166 HB2 CYS 21 HB2 CYS 21 24.092 27.394 18.465
167 HB3 CYS 21 HB3 CYS 21 25.014 28.029 17.099
168 H ILE 22 H ILE 22 24.145 23.926 16.205
169 HA ILE 22 HA ILE 22 25.207 24.509 13.526
170 HB ILE 22 HB ILE 22 26.928 23.276 14.659
171 HG12 ILE 22 HG12 ILE 22 25.644 21.416 12.633
172 HG13 ILE 22 HG13 ILE 22 26.377 22.970 12.200
173 HG21 ILE 22 HG21 ILE 22 25.206 20.816 14.918
174 HG22 ILE 22 HG22 ILE 22 26.809 21.129 15.594
175 HG23 ILE 22 HG23 ILE 22 25.408 21.956 16.269
176 HD11 ILE 22 HD11 ILE 22 27.813 20.704 13.631
177 HD12 ILE 22 HD12 ILE 22 28.030 21.177 11.937
178 HD13 ILE 22 HD13 ILE 22 28.508 22.290 13.241
179 H GLY 23 H GLY 23 23.367 24.733 12.474
180 HA2 GLY 23 HA2 GLY 23 21.494 24.114 11.312
181 HA3 GLY 23 HA3 GLY 23 21.580 22.497 11.995
182 H GLU 24 H GLU 24 21.067 25.777 13.347
183 HA GLU 24 HA GLU 24 19.523 26.688 14.710
184 HB2 GLU 24 HB2 GLU 24 17.472 24.682 13.761
185 HB3 GLU 24 HB3 GLU 24 17.226 26.320 14.340
186 HG2 GLU 24 HG2 GLU 24 18.384 25.429 11.693
187 HG3 GLU 24 HG3 GLU 24 16.896 26.323 11.977
188 H GLU 25 H GLU 25 20.934 24.084 15.708
189 HA GLU 25 HA GLU 25 19.772 24.368 18.364
190 HB2 GLU 25 HB2 GLU 25 18.488 22.467 17.434
191 HB3 GLU 25 HB3 GLU 25 19.989 21.633 17.056
192 HG2 GLU 25 HG2 GLU 25 18.896 20.697 19.024
193 HG3 GLU 25 HG3 GLU 25 20.480 21.329 19.427
194 H CYS 26 H CYS 26 21.195 23.619 20.047
195 HA CYS 26 HA CYS 26 24.055 23.699 19.194
196 HB2 CYS 26 HB2 CYS 26 23.285 25.778 20.094
197 HB3 CYS 26 HB3 CYS 26 22.628 24.996 21.522
198 H LYS 27 H LYS 27 25.550 22.541 20.055
199 HA LYS 27 HA LYS 27 24.945 20.427 22.081
200 HB2 LYS 27 HB2 LYS 27 25.982 18.755 20.779
201 HB3 LYS 27 HB3 LYS 27 24.887 19.582 19.669
202 HG2 LYS 27 HG2 LYS 27 26.970 21.015 19.005
203 HG3 LYS 27 HG3 LYS 27 27.921 19.802 19.881
204 HD2 LYS 27 HD2 LYS 27 26.069 19.253 17.511
205 HD3 LYS 27 HD3 LYS 27 27.830 19.418 17.425
206 HE2 LYS 27 HE2 LYS 27 28.097 17.479 18.949
207 HE3 LYS 27 HE3 LYS 27 26.340 17.294 19.031
208 HZ1 LYS 27 HZ1 LYS 27 27.385 15.815 17.415
209 HZ2 LYS 27 HZ2 LYS 27 26.322 16.844 16.651
210 HZ3 LYS 27 HZ3 LYS 27 27.918 17.108 16.522
211 H CYS 28 H CYS 28 27.046 19.453 22.946
212 HA CYS 28 HA CYS 28 28.931 21.666 23.496
213 HB2 CYS 28 HB2 CYS 28 28.792 18.995 24.849
214 HB3 CYS 28 HB3 CYS 28 29.601 20.454 25.396
215 H VAL 29 H VAL 29 31.125 21.602 23.174
216 HA VAL 29 HA VAL 29 32.309 19.281 21.763
217 HB VAL 29 HB VAL 29 33.399 20.837 20.151
218 HG11 VAL 29 HG11 VAL 29 30.396 20.540 19.819
219 HG12 VAL 29 HG12 VAL 29 31.597 20.748 18.529
220 HG13 VAL 29 HG13 VAL 29 31.600 19.270 19.506
221 HG21 VAL 29 HG21 VAL 29 32.835 23.027 21.169
222 HG22 VAL 29 HG22 VAL 29 32.278 22.907 19.497
223 HG23 VAL 29 HG23 VAL 29 31.116 22.739 20.829
224 H TYR 30 H TYR 30 34.148 18.758 22.518
225 HA TYR 30 HA TYR 30 35.773 20.140 24.416
226 HB2 TYR 30 HB2 TYR 30 36.331 17.855 22.499
227 HB3 TYR 30 HB3 TYR 30 37.473 18.420 23.700
228 HD1 TYR 30 HD1 TYR 30 37.214 17.988 26.052
229 HD2 TYR 30 HD2 TYR 30 34.209 16.682 23.251
230 HE1 TYR 30 HE1 TYR 30 36.239 16.511 27.788
231 HE2 TYR 30 HE2 TYR 30 33.264 15.160 24.972
232 HH TYR 30 HH TYR 30 34.677 14.871 28.252
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 11.555 24.565 16.476
2 H2 ALA 1 H2 ALA 1 13.010 23.990 17.013
3 H3 ALA 1 H3 ALA 1 12.906 24.725 15.539
4 HA ALA 1 HA ALA 1 12.334 26.804 16.527
5 HB1 ALA 1 HB1 ALA 1 12.518 27.072 18.984
6 HB2 ALA 1 HB2 ALA 1 11.201 25.973 18.535
7 HB3 ALA 1 HB3 ALA 1 12.734 25.317 19.158
8 H PHE 2 H PHE 2 14.003 28.312 16.790
9 HA PHE 2 HA PHE 2 16.635 27.417 16.119
10 HB2 PHE 2 HB2 PHE 2 15.754 30.072 17.299
11 HB3 PHE 2 HB3 PHE 2 17.319 29.752 16.563
12 HD1 PHE 2 HD1 PHE 2 17.100 28.617 14.070
13 HD2 PHE 2 HD2 PHE 2 14.293 31.283 15.935
14 HE1 PHE 2 HE1 PHE 2 16.206 29.232 11.838
15 HE2 PHE 2 HE2 PHE 2 13.415 31.934 13.701
16 HZ PHE 2 HZ PHE 2 14.353 30.881 11.647
17 H CYS 3 H CYS 3 18.581 27.495 17.266
18 HA CYS 3 HA CYS 3 18.441 26.513 20.020
19 HB2 CYS 3 HB2 CYS 3 19.908 25.473 18.479
20 HB3 CYS 3 HB3 CYS 3 20.624 26.998 17.984
21 H ASN 4 H ASN 4 19.462 27.498 21.825
22 HA ASN 4 HA ASN 4 19.859 30.471 21.665
23 HB2 ASN 4 HB2 ASN 4 18.492 28.820 23.813
24 HB3 ASN 4 HB3 ASN 4 19.005 30.499 24.025
25 HD21 ASN 4 HD21 ASN 4 15.666 29.729 21.839
26 HD22 ASN 4 HD22 ASN 4 16.578 28.444 22.622
27 H LEU 5 H LEU 5 21.934 30.780 21.631
28 HA LEU 5 HA LEU 5 23.873 28.888 22.251
29 HB2 LEU 5 HB2 LEU 5 24.111 30.806 20.708
30 HB3 LEU 5 HB3 LEU 5 24.124 31.915 22.079
31 HG LEU 5 HG LEU 5 26.253 30.902 22.882
32 HD11 LEU 5 HD11 LEU 5 26.087 28.629 21.963
33 HD12 LEU 5 HD12 LEU 5 26.087 29.281 20.301
34 HD13 LEU 5 HD13 LEU 5 27.528 29.424 21.336
35 HD21 LEU 5 HD21 LEU 5 26.298 31.789 19.966
36 HD22 LEU 5 HD22 LEU 5 26.272 32.862 21.386
37 HD23 LEU 5 HD23 LEU 5 27.670 31.812 21.105
38 H ARG 6 H ARG 6 22.684 31.471 24.426
39 HA ARG 6 HA ARG 6 24.758 31.122 26.417
40 HB2 ARG 6 HB2 ARG 6 22.001 32.365 26.674
41 HB3 ARG 6 HB3 ARG 6 23.298 32.431 27.878
42 HG2 ARG 6 HG2 ARG 6 24.814 33.385 26.065
43 HG3 ARG 6 HG3 ARG 6 23.387 33.593 25.052
44 HD2 ARG 6 HD2 ARG 6 23.734 34.772 27.832
45 HD3 ARG 6 HD3 ARG 6 24.103 35.626 26.325
46 HE ARG 6 HE ARG 6 21.391 34.588 26.361
47 HH11 ARG 6 HH11 ARG 6 23.312 37.297 27.618
48 HH12 ARG 6 HH12 ARG 6 21.950 38.395 27.441
49 HH21 ARG 6 HH21 ARG 6 19.688 36.079 26.507
50 HH22 ARG 6 HH22 ARG 6 20.049 37.737 26.947
51 H ARG 7 H ARG 7 21.653 29.582 25.935
52 HA ARG 7 HA ARG 7 21.637 28.059 28.455
53 HB2 ARG 7 HB2 ARG 7 19.920 28.019 25.933
54 HB3 ARG 7 HB3 ARG 7 19.677 26.932 27.300
55 HG2 ARG 7 HG2 ARG 7 19.400 28.857 28.834
56 HG3 ARG 7 HG3 ARG 7 19.648 29.976 27.483
57 HD2 ARG 7 HD2 ARG 7 17.614 29.125 26.376
58 HD3 ARG 7 HD3 ARG 7 17.363 27.988 27.719
59 HE ARG 7 HE ARG 7 17.642 30.673 28.731
60 HH11 ARG 7 HH11 ARG 7 15.188 28.806 27.013
61 HH12 ARG 7 HH12 ARG 7 13.911 29.734 27.773
62 HH21 ARG 7 HH21 ARG 7 15.943 31.910 29.353
63 HH22 ARG 7 HH22 ARG 7 14.321 31.368 29.012
64 H CYS 8 H CYS 8 22.610 27.481 25.129
65 HA CYS 8 HA CYS 8 23.301 24.699 25.441
66 HB2 CYS 8 HB2 CYS 8 22.945 25.799 23.280
67 HB3 CYS 8 HB3 CYS 8 24.320 26.855 23.556
68 H GLU 9 H GLU 9 25.360 27.671 25.583
69 HA GLU 9 HA GLU 9 27.777 26.516 26.444
70 HB2 GLU 9 HB2 GLU 9 26.469 29.209 26.899
71 HB3 GLU 9 HB3 GLU 9 28.070 28.874 27.508
72 HG2 GLU 9 HG2 GLU 9 27.528 28.325 24.585
73 HG3 GLU 9 HG3 GLU 9 27.652 29.992 25.140
74 H LEU 10 H LEU 10 25.137 27.785 28.593
75 HA LEU 10 HA LEU 10 26.609 27.158 30.986
76 HB2 LEU 10 HB2 LEU 10 24.827 27.949 32.186
77 HB3 LEU 10 HB3 LEU 10 24.754 28.818 30.667
78 HG LEU 10 HG LEU 10 22.978 26.996 30.004
79 HD11 LEU 10 HD11 LEU 10 21.596 26.265 31.931
80 HD12 LEU 10 HD12 LEU 10 23.196 25.541 32.008
81 HD13 LEU 10 HD13 LEU 10 22.816 26.919 33.049
82 HD21 LEU 10 HD21 LEU 10 21.193 28.415 30.955
83 HD22 LEU 10 HD22 LEU 10 22.366 29.157 32.066
84 HD23 LEU 10 HD23 LEU 10 22.509 29.414 30.319
85 H SER 11 H SER 11 24.584 25.205 28.971
86 HA SER 11 HA SER 11 24.360 22.962 30.835
87 HB2 SER 11 HB2 SER 11 23.925 23.053 27.827
88 HB3 SER 11 HB3 SER 11 23.497 21.720 28.915
89 HG SER 11 HG SER 11 22.376 24.294 28.679
90 H CYS 12 H CYS 12 26.531 23.715 28.047
91 HA CYS 12 HA CYS 12 28.057 21.287 28.244
92 HB2 CYS 12 HB2 CYS 12 28.884 23.964 27.089
93 HB3 CYS 12 HB3 CYS 12 29.639 22.404 26.750
94 H ARG 13 H ARG 13 28.290 24.380 29.920
95 HA ARG 13 HA ARG 13 30.734 24.261 31.237
96 HB2 ARG 13 HB2 ARG 13 28.396 25.767 31.460
97 HB3 ARG 13 HB3 ARG 13 28.381 24.896 32.974
98 HG2 ARG 13 HG2 ARG 13 29.601 26.690 33.654
99 HG3 ARG 13 HG3 ARG 13 30.962 25.742 33.042
100 HD2 ARG 13 HD2 ARG 13 29.397 27.921 31.592
101 HD3 ARG 13 HD3 ARG 13 31.039 28.079 32.210
102 HE ARG 13 HE ARG 13 31.452 26.053 30.518
103 HH11 ARG 13 HH11 ARG 13 29.729 29.082 29.933
104 HH12 ARG 13 HH12 ARG 13 30.094 29.041 28.242
105 HH21 ARG 13 HH21 ARG 13 31.377 25.843 28.276
106 HH22 ARG 13 HH22 ARG 13 30.797 27.216 27.329
107 H SER 14 H SER 14 27.942 22.264 31.895
108 HA SER 14 HA SER 14 28.907 21.151 34.407
109 HB2 SER 14 HB2 SER 14 26.556 21.239 33.851
110 HB3 SER 14 HB3 SER 14 26.814 20.237 32.414
111 HG SER 14 HG SER 14 26.572 18.588 33.569
112 H LEU 15 H LEU 15 29.349 20.237 30.987
113 HA LEU 15 HA LEU 15 30.599 17.659 31.584
114 HB2 LEU 15 HB2 LEU 15 30.950 19.240 29.040
115 HB3 LEU 15 HB3 LEU 15 31.033 17.498 29.270
116 HG LEU 15 HG LEU 15 28.587 19.279 29.225
117 HD11 LEU 15 HD11 LEU 15 29.499 17.050 27.373
118 HD12 LEU 15 HD12 LEU 15 28.010 18.006 27.215
119 HD13 LEU 15 HD13 LEU 15 29.580 18.799 27.053
120 HD21 LEU 15 HD21 LEU 15 27.235 17.193 29.412
121 HD22 LEU 15 HD22 LEU 15 28.722 16.240 29.623
122 HD23 LEU 15 HD23 LEU 15 28.217 17.408 30.861
123 H GLY 16 H GLY 16 31.644 20.980 31.218
124 HA2 GLY 16 HA2 GLY 16 33.731 21.823 32.064
125 HA3 GLY 16 HA3 GLY 16 34.509 20.279 31.713
126 H LEU 17 H LEU 17 32.367 22.036 29.405
127 HA LEU 17 HA LEU 17 34.640 23.014 27.826
128 HB2 LEU 17 HB2 LEU 17 33.767 21.691 25.806
129 HB3 LEU 17 HB3 LEU 17 34.842 20.919 26.935
130 HG LEU 17 HG LEU 17 31.948 20.500 27.532
131 HD11 LEU 17 HD11 LEU 17 33.145 19.205 25.064
132 HD12 LEU 17 HD12 LEU 17 31.528 18.947 25.764
133 HD13 LEU 17 HD13 LEU 17 31.959 20.526 25.062
134 HD21 LEU 17 HD21 LEU 17 34.316 18.645 27.034
135 HD22 LEU 17 HD22 LEU 17 33.803 19.195 28.639
136 HD23 LEU 17 HD23 LEU 17 32.759 18.121 27.684
137 H LEU 18 H LEU 18 33.847 23.812 25.578
138 HA LEU 18 HA LEU 18 31.798 25.815 26.118
139 HB2 LEU 18 HB2 LEU 18 32.595 27.025 24.341
140 HB3 LEU 18 HB3 LEU 18 34.003 26.315 25.093
141 HG LEU 18 HG LEU 18 33.650 24.459 23.168
142 HD11 LEU 18 HD11 LEU 18 32.447 26.998 21.967
143 HD12 LEU 18 HD12 LEU 18 32.994 25.591 21.038
144 HD13 LEU 18 HD13 LEU 18 31.630 25.431 22.141
145 HD21 LEU 18 HD21 LEU 18 34.874 27.203 22.690
146 HD22 LEU 18 HD22 LEU 18 35.666 25.832 23.495
147 HD23 LEU 18 HD23 LEU 18 35.246 25.720 21.780
148 H GLY 19 H GLY 19 30.041 26.324 24.840
149 HA2 GLY 19 HA2 GLY 19 28.800 24.043 23.331
150 HA3 GLY 19 HA3 GLY 19 27.897 25.224 24.265
151 H LYS 20 H LYS 20 27.759 24.416 21.415
152 HA LYS 20 HA LYS 20 27.637 27.137 20.251
153 HB2 LYS 20 HB2 LYS 20 28.681 26.384 18.155
154 HB3 LYS 20 HB3 LYS 20 29.787 26.440 19.525
155 HG2 LYS 20 HG2 LYS 20 29.640 23.981 19.780
156 HG3 LYS 20 HG3 LYS 20 28.526 23.881 18.408
157 HD2 LYS 20 HD2 LYS 20 31.326 25.067 18.255
158 HD3 LYS 20 HD3 LYS 20 30.987 23.360 17.940
159 HE2 LYS 20 HE2 LYS 20 29.644 23.836 16.025
160 HE3 LYS 20 HE3 LYS 20 29.536 25.556 16.423
161 HZ1 LYS 20 HZ1 LYS 20 31.841 25.822 15.942
162 HZ2 LYS 20 HZ2 LYS 20 32.070 24.212 15.685
163 HZ3 LYS 20 HZ3 LYS 20 31.139 25.078 14.650
164 H CYS 21 H CYS 21 26.083 27.454 18.703
165 HA CYS 21 HA CYS 21 23.993 25.368 18.424
166 HB2 CYS 21 HB2 CYS 21 24.127 28.331 17.762
167 HB3 CYS 21 HB3 CYS 21 22.774 27.298 17.348
168 H ILE 22 H ILE 22 23.800 24.181 16.594
169 HA ILE 22 HA ILE 22 24.486 25.266 13.943
170 HB ILE 22 HB ILE 22 26.559 24.309 14.691
171 HG12 ILE 22 HG12 ILE 22 25.192 22.409 12.728
172 HG13 ILE 22 HG13 ILE 22 25.931 23.972 12.345
173 HG21 ILE 22 HG21 ILE 22 25.597 22.728 16.469
174 HG22 ILE 22 HG22 ILE 22 25.261 21.599 15.140
175 HG23 ILE 22 HG23 ILE 22 26.920 22.099 15.517
176 HD11 ILE 22 HD11 ILE 22 27.330 21.489 13.383
177 HD12 ILE 22 HD12 ILE 22 27.517 22.236 11.795
178 HD13 ILE 22 HD13 ILE 22 28.114 23.081 13.252
179 H GLY 23 H GLY 23 22.982 24.616 12.414
180 HA2 GLY 23 HA2 GLY 23 21.222 23.493 11.442
181 HA3 GLY 23 HA3 GLY 23 21.785 22.045 12.292
182 H GLU 24 H GLU 24 20.489 25.063 13.707
183 HA GLU 24 HA GLU 24 18.987 25.435 15.325
184 HB2 GLU 24 HB2 GLU 24 17.255 23.447 13.817
185 HB3 GLU 24 HB3 GLU 24 16.719 24.562 15.068
186 HG2 GLU 24 HG2 GLU 24 16.154 25.684 13.142
187 HG3 GLU 24 HG3 GLU 24 17.641 26.470 13.662
188 H GLU 25 H GLU 25 21.011 23.394 15.959
189 HA GLU 25 HA GLU 25 19.726 22.544 18.469
190 HB2 GLU 25 HB2 GLU 25 19.433 20.683 16.844
191 HB3 GLU 25 HB3 GLU 25 21.168 20.607 16.618
192 HG2 GLU 25 HG2 GLU 25 20.371 18.840 18.119
193 HG3 GLU 25 HG3 GLU 25 21.472 19.918 18.970
194 H CYS 26 H CYS 26 21.120 22.127 20.198
195 HA CYS 26 HA CYS 26 23.679 23.541 20.175
196 HB2 CYS 26 HB2 CYS 26 22.173 23.776 22.053
197 HB3 CYS 26 HB3 CYS 26 22.084 22.025 22.252
198 H LYS 27 H LYS 27 25.695 22.716 20.202
199 HA LYS 27 HA LYS 27 26.171 19.830 20.812
200 HB2 LYS 27 HB2 LYS 27 26.304 20.216 18.350
201 HB3 LYS 27 HB3 LYS 27 27.498 21.489 18.630
202 HG2 LYS 27 HG2 LYS 27 28.962 19.709 19.750
203 HG3 LYS 27 HG3 LYS 27 27.808 18.504 19.171
204 HD2 LYS 27 HD2 LYS 27 29.311 20.499 17.422
205 HD3 LYS 27 HD3 LYS 27 29.869 18.853 17.754
206 HE2 LYS 27 HE2 LYS 27 27.854 17.909 16.692
207 HE3 LYS 27 HE3 LYS 27 27.237 19.545 16.368
208 HZ1 LYS 27 HZ1 LYS 27 29.245 19.930 15.007
209 HZ2 LYS 27 HZ2 LYS 27 29.784 18.446 15.293
210 HZ3 LYS 27 HZ3 LYS 27 28.402 18.620 14.423
211 H CYS 28 H CYS 28 27.782 19.513 22.327
212 HA CYS 28 HA CYS 28 29.417 21.867 23.144
213 HB2 CYS 28 HB2 CYS 28 29.244 19.202 24.541
214 HB3 CYS 28 HB3 CYS 28 29.874 20.719 25.152
215 H VAL 29 H VAL 29 31.678 21.884 22.996
216 HA VAL 29 HA VAL 29 33.036 19.490 21.870
217 HB VAL 29 HB VAL 29 34.252 20.812 20.209
218 HG11 VAL 29 HG11 VAL 29 32.529 20.852 18.518
219 HG12 VAL 29 HG12 VAL 29 32.253 19.467 19.583
220 HG13 VAL 29 HG13 VAL 29 31.247 20.925 19.744
221 HG21 VAL 29 HG21 VAL 29 32.237 23.031 20.768
222 HG22 VAL 29 HG22 VAL 29 33.990 23.100 21.050
223 HG23 VAL 29 HG23 VAL 29 33.372 22.972 19.404
224 H TYR 30 H TYR 30 34.989 19.080 22.620
225 HA TYR 30 HA TYR 30 36.140 20.497 24.822
226 HB2 TYR 30 HB2 TYR 30 37.197 18.331 22.996
227 HB3 TYR 30 HB3 TYR 30 38.130 18.982 24.323
228 HD1 TYR 30 HD1 TYR 30 37.731 18.383 26.602
229 HD2 TYR 30 HD2 TYR 30 35.060 17.021 23.500
230 HE1 TYR 30 HE1 TYR 30 36.646 16.837 28.215
231 HE2 TYR 30 HE2 TYR 30 33.970 15.485 25.122
232 HH TYR 30 HH TYR 30 34.746 15.564 28.589
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 16.323 32.410 12.013
2 H2 ALA 1 H2 ALA 1 17.572 33.419 11.637
3 H3 ALA 1 H3 ALA 1 16.014 33.986 11.709
4 HA ALA 1 HA ALA 1 17.361 34.655 13.580
5 HB1 ALA 1 HB1 ALA 1 15.741 34.055 15.340
6 HB2 ALA 1 HB2 ALA 1 14.918 34.537 13.849
7 HB3 ALA 1 HB3 ALA 1 15.031 32.816 14.280
8 H PHE 2 H PHE 2 18.949 34.133 14.972
9 HA PHE 2 HA PHE 2 20.105 31.469 14.780
10 HB2 PHE 2 HB2 PHE 2 20.951 33.846 16.470
11 HB3 PHE 2 HB3 PHE 2 21.908 32.410 16.129
12 HD1 PHE 2 HD1 PHE 2 21.231 35.740 15.093
13 HD2 PHE 2 HD2 PHE 2 22.330 31.850 13.578
14 HE1 PHE 2 HE1 PHE 2 22.166 36.794 13.055
15 HE2 PHE 2 HE2 PHE 2 23.268 32.913 11.542
16 HZ PHE 2 HZ PHE 2 23.188 35.386 11.280
17 H CYS 3 H CYS 3 20.423 29.958 16.328
18 HA CYS 3 HA CYS 3 18.542 29.478 18.408
19 HB2 CYS 3 HB2 CYS 3 19.783 27.751 17.282
20 HB3 CYS 3 HB3 CYS 3 21.323 28.494 17.715
21 H ASN 4 H ASN 4 18.776 29.452 20.694
22 HA ASN 4 HA ASN 4 20.269 31.587 21.987
23 HB2 ASN 4 HB2 ASN 4 18.676 29.188 22.967
24 HB3 ASN 4 HB3 ASN 4 19.607 30.194 24.068
25 HD21 ASN 4 HD21 ASN 4 16.109 31.641 22.702
26 HD22 ASN 4 HD22 ASN 4 16.719 30.084 22.085
27 H LEU 5 H LEU 5 22.417 31.485 21.694
28 HA LEU 5 HA LEU 5 24.070 29.135 21.837
29 HB2 LEU 5 HB2 LEU 5 24.704 31.145 20.603
30 HB3 LEU 5 HB3 LEU 5 24.618 32.120 22.067
31 HG LEU 5 HG LEU 5 26.553 30.853 23.017
32 HD11 LEU 5 HD11 LEU 5 26.367 28.727 21.794
33 HD12 LEU 5 HD12 LEU 5 26.633 29.572 20.248
34 HD13 LEU 5 HD13 LEU 5 27.926 29.481 21.459
35 HD21 LEU 5 HD21 LEU 5 27.069 32.080 20.283
36 HD22 LEU 5 HD22 LEU 5 26.848 32.983 21.797
37 HD23 LEU 5 HD23 LEU 5 28.232 31.900 21.615
38 H ARG 6 H ARG 6 23.235 31.654 24.281
39 HA ARG 6 HA ARG 6 25.206 30.781 26.204
40 HB2 ARG 6 HB2 ARG 6 22.655 32.375 26.672
41 HB3 ARG 6 HB3 ARG 6 24.022 32.215 27.775
42 HG2 ARG 6 HG2 ARG 6 23.978 33.689 25.125
43 HG3 ARG 6 HG3 ARG 6 24.216 34.331 26.750
44 HD2 ARG 6 HD2 ARG 6 26.345 32.892 26.847
45 HD3 ARG 6 HD3 ARG 6 26.129 32.625 25.110
46 HE ARG 6 HE ARG 6 26.021 35.432 25.829
47 HH11 ARG 6 HH11 ARG 6 28.439 32.873 25.516
48 HH12 ARG 6 HH12 ARG 6 29.613 33.974 24.838
49 HH21 ARG 6 HH21 ARG 6 27.679 36.791 25.112
50 HH22 ARG 6 HH22 ARG 6 29.282 36.104 24.892
51 H ARG 7 H ARG 7 21.766 29.994 25.905
52 HA ARG 7 HA ARG 7 21.559 28.293 28.213
53 HB2 ARG 7 HB2 ARG 7 19.967 28.115 25.617
54 HB3 ARG 7 HB3 ARG 7 19.534 27.419 27.189
55 HG2 ARG 7 HG2 ARG 7 19.448 29.737 28.162
56 HG3 ARG 7 HG3 ARG 7 19.742 30.386 26.537
57 HD2 ARG 7 HD2 ARG 7 17.651 29.127 25.774
58 HD3 ARG 7 HD3 ARG 7 17.334 28.788 27.494
59 HE ARG 7 HE ARG 7 17.835 31.603 26.986
60 HH11 ARG 7 HH11 ARG 7 15.214 29.273 27.143
61 HH12 ARG 7 HH12 ARG 7 14.047 30.544 27.418
62 HH21 ARG 7 HH21 ARG 7 16.281 33.089 26.889
63 HH22 ARG 7 HH22 ARG 7 14.617 32.670 27.198
64 H CYS 8 H CYS 8 22.965 27.681 25.098
65 HA CYS 8 HA CYS 8 23.290 24.793 25.548
66 HB2 CYS 8 HB2 CYS 8 22.922 25.630 23.302
67 HB3 CYS 8 HB3 CYS 8 24.300 26.709 23.426
68 H GLU 9 H GLU 9 25.504 27.691 25.457
69 HA GLU 9 HA GLU 9 27.890 26.420 26.204
70 HB2 GLU 9 HB2 GLU 9 26.838 29.200 26.864
71 HB3 GLU 9 HB3 GLU 9 28.443 28.649 27.332
72 HG2 GLU 9 HG2 GLU 9 28.906 28.145 24.904
73 HG3 GLU 9 HG3 GLU 9 27.418 29.012 24.503
74 H LEU 10 H LEU 10 25.393 27.674 28.476
75 HA LEU 10 HA LEU 10 26.873 26.962 30.824
76 HB2 LEU 10 HB2 LEU 10 25.040 27.688 32.037
77 HB3 LEU 10 HB3 LEU 10 25.093 28.656 30.579
78 HG LEU 10 HG LEU 10 23.285 26.951 29.693
79 HD11 LEU 10 HD11 LEU 10 21.783 26.172 31.498
80 HD12 LEU 10 HD12 LEU 10 23.375 25.427 31.682
81 HD13 LEU 10 HD13 LEU 10 22.921 26.780 32.721
82 HD21 LEU 10 HD21 LEU 10 22.893 29.356 30.066
83 HD22 LEU 10 HD22 LEU 10 21.508 28.407 30.638
84 HD23 LEU 10 HD23 LEU 10 22.676 29.068 31.802
85 H SER 11 H SER 11 24.608 25.073 28.874
86 HA SER 11 HA SER 11 24.506 22.825 30.739
87 HB2 SER 11 HB2 SER 11 22.759 23.241 29.011
88 HB3 SER 11 HB3 SER 11 23.947 22.840 27.753
89 HG SER 11 HG SER 11 23.069 20.939 28.116
90 H CYS 12 H CYS 12 26.536 23.636 27.910
91 HA CYS 12 HA CYS 12 28.123 21.247 27.946
92 HB2 CYS 12 HB2 CYS 12 28.861 24.052 27.027
93 HB3 CYS 12 HB3 CYS 12 29.663 22.557 26.554
94 H ARG 13 H ARG 13 28.342 24.261 29.815
95 HA ARG 13 HA ARG 13 30.907 23.867 30.993
96 HB2 ARG 13 HB2 ARG 13 29.311 25.941 31.083
97 HB3 ARG 13 HB3 ARG 13 28.539 25.103 32.421
98 HG2 ARG 13 HG2 ARG 13 29.986 26.389 33.594
99 HG3 ARG 13 HG3 ARG 13 30.999 24.971 33.397
100 HD2 ARG 13 HD2 ARG 13 31.079 27.528 31.736
101 HD3 ARG 13 HD3 ARG 13 32.209 27.106 33.012
102 HE ARG 13 HE ARG 13 32.175 26.143 30.250
103 HH11 ARG 13 HH11 ARG 13 33.517 25.347 33.464
104 HH12 ARG 13 HH12 ARG 13 34.949 24.664 32.705
105 HH21 ARG 13 HH21 ARG 13 34.160 25.218 29.508
106 HH22 ARG 13 HH22 ARG 13 35.196 24.514 30.724
107 H SER 14 H SER 14 27.797 22.335 31.798
108 HA SER 14 HA SER 14 28.574 21.119 34.262
109 HB2 SER 14 HB2 SER 14 26.688 20.003 32.152
110 HB3 SER 14 HB3 SER 14 26.727 19.583 33.870
111 HG SER 14 HG SER 14 25.147 21.210 33.071
112 H LEU 15 H LEU 15 29.654 20.348 31.046
113 HA LEU 15 HA LEU 15 30.854 17.783 32.003
114 HB2 LEU 15 HB2 LEU 15 30.963 18.928 29.228
115 HB3 LEU 15 HB3 LEU 15 31.255 17.266 29.720
116 HG LEU 15 HG LEU 15 28.604 18.738 29.575
117 HD11 LEU 15 HD11 LEU 15 29.504 18.141 27.400
118 HD12 LEU 15 HD12 LEU 15 29.722 16.454 27.919
119 HD13 LEU 15 HD13 LEU 15 28.094 17.149 27.775
120 HD21 LEU 15 HD21 LEU 15 27.559 16.518 30.054
121 HD22 LEU 15 HD22 LEU 15 29.169 15.824 30.334
122 HD23 LEU 15 HD23 LEU 15 28.524 17.068 31.423
123 H GLY 16 H GLY 16 31.574 21.088 31.672
124 HA2 GLY 16 HA2 GLY 16 33.555 22.242 32.050
125 HA3 GLY 16 HA3 GLY 16 34.495 20.760 31.917
126 H LEU 17 H LEU 17 32.195 21.710 29.350
127 HA LEU 17 HA LEU 17 34.464 22.636 27.646
128 HB2 LEU 17 HB2 LEU 17 32.865 21.433 25.806
129 HB3 LEU 17 HB3 LEU 17 34.379 20.811 26.425
130 HG LEU 17 HG LEU 17 31.724 20.106 27.634
131 HD11 LEU 17 HD11 LEU 17 31.650 19.561 25.219
132 HD12 LEU 17 HD12 LEU 17 33.124 18.599 25.391
133 HD13 LEU 17 HD13 LEU 17 31.630 18.115 26.230
134 HD21 LEU 17 HD21 LEU 17 33.766 19.345 28.920
135 HD22 LEU 17 HD22 LEU 17 32.992 17.942 28.177
136 HD23 LEU 17 HD23 LEU 17 34.422 18.670 27.435
137 H LEU 18 H LEU 18 33.616 23.522 25.501
138 HA LEU 18 HA LEU 18 31.783 25.743 26.246
139 HB2 LEU 18 HB2 LEU 18 32.713 27.060 24.579
140 HB3 LEU 18 HB3 LEU 18 34.041 26.263 25.376
141 HG LEU 18 HG LEU 18 33.911 24.569 23.339
142 HD11 LEU 18 HD11 LEU 18 31.899 25.426 22.213
143 HD12 LEU 18 HD12 LEU 18 32.577 27.072 22.197
144 HD13 LEU 18 HD13 LEU 18 33.305 25.772 21.224
145 HD21 LEU 18 HD21 LEU 18 35.803 26.029 23.805
146 HD22 LEU 18 HD22 LEU 18 35.456 26.051 22.076
147 HD23 LEU 18 HD23 LEU 18 34.955 27.420 23.094
148 H GLY 19 H GLY 19 30.203 26.500 24.646
149 HA2 GLY 19 HA2 GLY 19 28.889 24.210 23.229
150 HA3 GLY 19 HA3 GLY 19 28.005 25.462 24.068
151 H LYS 20 H LYS 20 27.900 24.507 21.341
152 HA LYS 20 HA LYS 20 27.869 27.104 19.876
153 HB2 LYS 20 HB2 LYS 20 28.869 24.440 18.764
154 HB3 LYS 20 HB3 LYS 20 28.602 25.889 17.804
155 HG2 LYS 20 HG2 LYS 20 30.615 25.744 20.076
156 HG3 LYS 20 HG3 LYS 20 30.980 25.311 18.410
157 HD2 LYS 20 HD2 LYS 20 30.501 27.556 17.634
158 HD3 LYS 20 HD3 LYS 20 30.036 28.080 19.273
159 HE2 LYS 20 HE2 LYS 20 32.246 27.767 20.118
160 HE3 LYS 20 HE3 LYS 20 32.732 26.789 18.721
161 HZ1 LYS 20 HZ1 LYS 20 32.697 28.714 17.344
162 HZ2 LYS 20 HZ2 LYS 20 32.145 29.699 18.535
163 HZ3 LYS 20 HZ3 LYS 20 33.642 29.031 18.639
164 H CYS 21 H CYS 21 26.136 27.138 18.291
165 HA CYS 21 HA CYS 21 24.284 24.779 18.452
166 HB2 CYS 21 HB2 CYS 21 23.601 26.578 20.062
167 HB3 CYS 21 HB3 CYS 21 23.300 27.610 18.657
168 H ILE 22 H ILE 22 23.812 23.975 16.611
169 HA ILE 22 HA ILE 22 23.665 25.707 14.159
170 HB ILE 22 HB ILE 22 25.242 23.129 14.417
171 HG12 ILE 22 HG12 ILE 22 26.136 25.969 13.732
172 HG13 ILE 22 HG13 ILE 22 26.412 25.161 15.277
173 HG21 ILE 22 HG21 ILE 22 24.682 24.819 11.936
174 HG22 ILE 22 HG22 ILE 22 25.767 23.418 12.005
175 HG23 ILE 22 HG23 ILE 22 24.055 23.183 12.242
176 HD11 ILE 22 HD11 ILE 22 27.661 24.424 12.620
177 HD12 ILE 22 HD12 ILE 22 28.444 25.064 14.068
178 HD13 ILE 22 HD13 ILE 22 27.771 23.422 14.090
179 H GLY 23 H GLY 23 22.002 25.273 12.833
180 HA2 GLY 23 HA2 GLY 23 20.085 24.290 11.994
181 HA3 GLY 23 HA3 GLY 23 20.765 22.728 12.462
182 H GLU 24 H GLU 24 19.708 25.537 14.397
183 HA GLU 24 HA GLU 24 18.438 25.804 16.228
184 HB2 GLU 24 HB2 GLU 24 16.741 23.501 15.226
185 HB3 GLU 24 HB3 GLU 24 16.273 24.694 16.430
186 HG2 GLU 24 HG2 GLU 24 16.343 26.490 14.791
187 HG3 GLU 24 HG3 GLU 24 16.976 25.396 13.560
188 H GLU 25 H GLU 25 20.495 23.269 16.134
189 HA GLU 25 HA GLU 25 19.654 22.167 18.774
190 HB2 GLU 25 HB2 GLU 25 19.463 20.762 16.613
191 HB3 GLU 25 HB3 GLU 25 21.223 20.727 16.633
192 HG2 GLU 25 HG2 GLU 25 20.730 18.767 17.721
193 HG3 GLU 25 HG3 GLU 25 20.905 19.830 19.114
194 H CYS 26 H CYS 26 21.019 22.065 20.429
195 HA CYS 26 HA CYS 26 23.553 23.451 20.380
196 HB2 CYS 26 HB2 CYS 26 22.056 23.499 22.291
197 HB3 CYS 26 HB3 CYS 26 22.104 21.748 22.423
198 H LYS 27 H LYS 27 25.609 22.728 20.483
199 HA LYS 27 HA LYS 27 26.213 19.880 21.024
200 HB2 LYS 27 HB2 LYS 27 26.291 20.326 18.476
201 HB3 LYS 27 HB3 LYS 27 27.667 21.372 18.810
202 HG2 LYS 27 HG2 LYS 27 28.638 19.336 18.178
203 HG3 LYS 27 HG3 LYS 27 28.782 19.342 19.916
204 HD2 LYS 27 HD2 LYS 27 28.062 17.149 19.368
205 HD3 LYS 27 HD3 LYS 27 26.624 17.948 19.993
206 HE2 LYS 27 HE2 LYS 27 25.957 16.701 18.079
207 HE3 LYS 27 HE3 LYS 27 25.897 18.409 17.631
208 HZ1 LYS 27 HZ1 LYS 27 28.094 18.090 16.544
209 HZ2 LYS 27 HZ2 LYS 27 28.056 16.492 16.950
210 HZ3 LYS 27 HZ3 LYS 27 26.936 17.126 15.914
211 H CYS 28 H CYS 28 28.085 19.546 22.150
212 HA CYS 28 HA CYS 28 29.516 21.948 23.171
213 HB2 CYS 28 HB2 CYS 28 29.135 19.277 24.544
214 HB3 CYS 28 HB3 CYS 28 29.816 20.744 25.230
215 H VAL 29 H VAL 29 31.756 21.964 23.218
216 HA VAL 29 HA VAL 29 33.225 19.550 22.304
217 HB VAL 29 HB VAL 29 34.561 20.803 20.707
218 HG11 VAL 29 HG11 VAL 29 32.568 19.522 19.946
219 HG12 VAL 29 HG12 VAL 29 31.604 21.015 20.016
220 HG13 VAL 29 HG13 VAL 29 32.969 20.886 18.893
221 HG21 VAL 29 HG21 VAL 29 32.593 23.094 21.111
222 HG22 VAL 29 HG22 VAL 29 34.329 23.107 21.497
223 HG23 VAL 29 HG23 VAL 29 33.804 22.983 19.817
224 H TYR 30 H TYR 30 35.160 19.201 23.113
225 HA TYR 30 HA TYR 30 36.277 20.712 25.326
226 HB2 TYR 30 HB2 TYR 30 37.358 18.479 23.591
227 HB3 TYR 30 HB3 TYR 30 38.267 19.226 24.885
228 HD1 TYR 30 HD1 TYR 30 35.354 17.057 24.104
229 HD2 TYR 30 HD2 TYR 30 37.799 18.770 27.210
230 HE1 TYR 30 HE1 TYR 30 34.478 15.385 25.714
231 HE2 TYR 30 HE2 TYR 30 36.898 17.123 28.828
232 HH TYR 30 HH TYR 30 34.954 15.557 29.113
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 9.875 28.317 17.328
2 H2 ALA 1 H2 ALA 1 11.044 27.227 17.779
3 H3 ALA 1 H3 ALA 1 11.132 27.960 16.311
4 HA ALA 1 HA ALA 1 11.383 30.107 17.328
5 HB1 ALA 1 HB1 ALA 1 10.273 29.629 19.466
6 HB2 ALA 1 HB2 ALA 1 11.551 28.471 19.895
7 HB3 ALA 1 HB3 ALA 1 11.932 30.198 19.750
8 H PHE 2 H PHE 2 13.475 30.936 17.406
9 HA PHE 2 HA PHE 2 15.493 29.239 16.298
10 HB2 PHE 2 HB2 PHE 2 15.802 31.982 17.556
11 HB3 PHE 2 HB3 PHE 2 16.933 31.214 16.454
12 HD1 PHE 2 HD1 PHE 2 14.368 33.602 16.634
13 HD2 PHE 2 HD2 PHE 2 15.803 30.419 14.107
14 HE1 PHE 2 HE1 PHE 2 13.251 34.649 14.683
15 HE2 PHE 2 HE2 PHE 2 14.661 31.453 12.163
16 HZ PHE 2 HZ PHE 2 13.389 33.572 12.440
17 H CYS 3 H CYS 3 17.599 28.678 17.082
18 HA CYS 3 HA CYS 3 17.554 27.391 19.600
19 HB2 CYS 3 HB2 CYS 3 19.874 26.811 19.135
20 HB3 CYS 3 HB3 CYS 3 18.840 26.586 17.729
21 H ASN 4 H ASN 4 18.995 27.543 21.396
22 HA ASN 4 HA ASN 4 19.202 30.348 22.402
23 HB2 ASN 4 HB2 ASN 4 18.327 27.752 23.690
24 HB3 ASN 4 HB3 ASN 4 18.685 29.217 24.611
25 HD21 ASN 4 HD21 ASN 4 15.153 29.015 22.706
26 HD22 ASN 4 HD22 ASN 4 16.218 27.602 22.816
27 H LEU 5 H LEU 5 21.326 30.800 22.018
28 HA LEU 5 HA LEU 5 23.433 28.904 22.201
29 HB2 LEU 5 HB2 LEU 5 23.418 30.784 20.663
30 HB3 LEU 5 HB3 LEU 5 23.407 31.932 21.999
31 HG LEU 5 HG LEU 5 25.685 31.258 22.654
32 HD11 LEU 5 HD11 LEU 5 27.025 29.818 21.135
33 HD12 LEU 5 HD12 LEU 5 25.738 28.909 21.929
34 HD13 LEU 5 HD13 LEU 5 25.553 29.416 20.226
35 HD21 LEU 5 HD21 LEU 5 25.347 33.074 21.015
36 HD22 LEU 5 HD22 LEU 5 26.843 32.189 20.694
37 HD23 LEU 5 HD23 LEU 5 25.415 31.894 19.684
38 H ARG 6 H ARG 6 22.703 31.641 24.477
39 HA ARG 6 HA ARG 6 24.984 31.019 26.116
40 HB2 ARG 6 HB2 ARG 6 23.772 33.230 25.850
41 HB3 ARG 6 HB3 ARG 6 22.642 32.639 27.082
42 HG2 ARG 6 HG2 ARG 6 24.427 32.422 28.698
43 HG3 ARG 6 HG3 ARG 6 25.685 32.577 27.455
44 HD2 ARG 6 HD2 ARG 6 25.574 34.647 28.684
45 HD3 ARG 6 HD3 ARG 6 25.000 34.913 27.041
46 HE ARG 6 HE ARG 6 22.722 34.939 27.827
47 HH11 ARG 6 HH11 ARG 6 24.955 34.846 30.549
48 HH12 ARG 6 HH12 ARG 6 23.683 35.337 31.656
49 HH21 ARG 6 HH21 ARG 6 21.330 35.786 29.229
50 HH22 ARG 6 HH22 ARG 6 21.704 35.915 30.937
51 H ARG 7 H ARG 7 21.652 29.890 26.271
52 HA ARG 7 HA ARG 7 21.997 28.307 28.700
53 HB2 ARG 7 HB2 ARG 7 20.017 28.069 26.408
54 HB3 ARG 7 HB3 ARG 7 19.956 27.104 27.895
55 HG2 ARG 7 HG2 ARG 7 19.751 29.182 29.248
56 HG3 ARG 7 HG3 ARG 7 19.788 30.144 27.764
57 HD2 ARG 7 HD2 ARG 7 17.772 28.673 27.005
58 HD3 ARG 7 HD3 ARG 7 17.650 28.221 28.719
59 HE ARG 7 HE ARG 7 17.839 31.114 28.254
60 HH11 ARG 7 HH11 ARG 7 15.476 28.518 28.599
61 HH12 ARG 7 HH12 ARG 7 14.185 29.706 28.746
62 HH21 ARG 7 HH21 ARG 7 16.260 32.406 28.435
63 HH22 ARG 7 HH22 ARG 7 14.576 31.886 28.482
64 H CYS 8 H CYS 8 22.758 27.694 25.304
65 HA CYS 8 HA CYS 8 23.346 24.862 25.670
66 HB2 CYS 8 HB2 CYS 8 22.886 25.790 23.454
67 HB3 CYS 8 HB3 CYS 8 24.267 26.863 23.577
68 H GLU 9 H GLU 9 25.377 27.853 25.635
69 HA GLU 9 HA GLU 9 27.844 26.746 26.364
70 HB2 GLU 9 HB2 GLU 9 26.483 29.392 26.856
71 HB3 GLU 9 HB3 GLU 9 28.027 29.089 27.630
72 HG2 GLU 9 HG2 GLU 9 27.778 28.563 24.665
73 HG3 GLU 9 HG3 GLU 9 27.870 30.227 25.253
74 H LEU 10 H LEU 10 25.323 27.887 28.706
75 HA LEU 10 HA LEU 10 26.906 27.067 30.974
76 HB2 LEU 10 HB2 LEU 10 25.215 27.857 32.308
77 HB3 LEU 10 HB3 LEU 10 25.106 28.816 30.850
78 HG LEU 10 HG LEU 10 23.233 27.090 30.174
79 HD11 LEU 10 HD11 LEU 10 23.465 25.541 32.085
80 HD12 LEU 10 HD12 LEU 10 23.253 26.890 33.210
81 HD13 LEU 10 HD13 LEU 10 21.910 26.367 32.169
82 HD21 LEU 10 HD21 LEU 10 22.868 29.494 30.551
83 HD22 LEU 10 HD22 LEU 10 21.553 28.547 31.268
84 HD23 LEU 10 HD23 LEU 10 22.827 29.226 32.301
85 H SER 11 H SER 11 24.589 25.337 29.011
86 HA SER 11 HA SER 11 24.391 23.012 30.754
87 HB2 SER 11 HB2 SER 11 23.816 23.250 27.775
88 HB3 SER 11 HB3 SER 11 23.383 21.891 28.828
89 HG SER 11 HG SER 11 22.400 24.532 28.790
90 H CYS 12 H CYS 12 26.414 23.741 27.828
91 HA CYS 12 HA CYS 12 27.811 21.240 27.856
92 HB2 CYS 12 HB2 CYS 12 28.652 23.967 26.810
93 HB3 CYS 12 HB3 CYS 12 29.476 22.447 26.451
94 H ARG 13 H ARG 13 28.382 24.285 29.625
95 HA ARG 13 HA ARG 13 30.944 23.610 30.594
96 HB2 ARG 13 HB2 ARG 13 29.722 25.853 30.739
97 HB3 ARG 13 HB3 ARG 13 28.880 25.227 32.145
98 HG2 ARG 13 HG2 ARG 13 30.857 26.675 32.663
99 HG3 ARG 13 HG3 ARG 13 30.938 25.083 33.404
100 HD2 ARG 13 HD2 ARG 13 33.119 25.882 32.505
101 HD3 ARG 13 HD3 ARG 13 32.611 24.329 31.845
102 HE ARG 13 HE ARG 13 31.728 26.406 30.067
103 HH11 ARG 13 HH11 ARG 13 34.766 24.689 30.879
104 HH12 ARG 13 HH12 ARG 13 35.324 25.001 29.241
105 HH21 ARG 13 HH21 ARG 13 32.831 26.981 28.210
106 HH22 ARG 13 HH22 ARG 13 34.384 26.218 27.919
107 H SER 14 H SER 14 27.865 22.273 31.600
108 HA SER 14 HA SER 14 28.726 21.085 34.073
109 HB2 SER 14 HB2 SER 14 26.896 19.569 33.857
110 HB3 SER 14 HB3 SER 14 26.341 21.146 33.274
111 HG SER 14 HG SER 14 26.489 20.416 31.178
112 H LEU 15 H LEU 15 29.408 20.212 30.735
113 HA LEU 15 HA LEU 15 30.530 17.578 31.385
114 HB2 LEU 15 HB2 LEU 15 30.874 19.104 28.808
115 HB3 LEU 15 HB3 LEU 15 30.897 17.368 29.052
116 HG LEU 15 HG LEU 15 28.491 19.220 29.015
117 HD11 LEU 15 HD11 LEU 15 29.347 16.955 27.182
118 HD12 LEU 15 HD12 LEU 15 27.872 17.935 27.027
119 HD13 LEU 15 HD13 LEU 15 29.458 18.697 26.837
120 HD21 LEU 15 HD21 LEU 15 28.571 16.206 29.464
121 HD22 LEU 15 HD22 LEU 15 28.074 17.413 30.668
122 HD23 LEU 15 HD23 LEU 15 27.108 17.174 29.196
123 H GLY 16 H GLY 16 31.672 20.831 31.393
124 HA2 GLY 16 HA2 GLY 16 33.819 21.573 32.027
125 HA3 GLY 16 HA3 GLY 16 34.531 20.039 31.529
126 H LEU 17 H LEU 17 32.349 21.740 29.318
127 HA LEU 17 HA LEU 17 34.541 22.930 27.752
128 HB2 LEU 17 HB2 LEU 17 33.625 21.666 25.725
129 HB3 LEU 17 HB3 LEU 17 34.780 20.875 26.772
130 HG LEU 17 HG LEU 17 31.909 20.361 27.417
131 HD11 LEU 17 HD11 LEU 17 33.113 19.170 24.907
132 HD12 LEU 17 HD12 LEU 17 31.518 18.818 25.628
133 HD13 LEU 17 HD13 LEU 17 31.867 20.431 24.965
134 HD21 LEU 17 HD21 LEU 17 34.310 18.558 26.863
135 HD22 LEU 17 HD22 LEU 17 33.833 19.101 28.479
136 HD23 LEU 17 HD23 LEU 17 32.776 18.012 27.555
137 H LEU 18 H LEU 18 33.701 23.894 25.652
138 HA LEU 18 HA LEU 18 31.547 25.739 26.362
139 HB2 LEU 18 HB2 LEU 18 32.360 27.119 24.644
140 HB3 LEU 18 HB3 LEU 18 33.760 26.407 25.416
141 HG LEU 18 HG LEU 18 33.492 24.636 23.378
142 HD11 LEU 18 HD11 LEU 18 32.980 25.902 21.287
143 HD12 LEU 18 HD12 LEU 18 31.552 25.698 22.291
144 HD13 LEU 18 HD13 LEU 18 32.399 27.262 22.265
145 HD21 LEU 18 HD21 LEU 18 35.497 26.012 23.913
146 HD22 LEU 18 HD22 LEU 18 35.192 25.880 22.179
147 HD23 LEU 18 HD23 LEU 18 34.760 27.374 23.035
148 H GLY 19 H GLY 19 29.926 26.433 24.796
149 HA2 GLY 19 HA2 GLY 19 28.837 24.197 23.109
150 HA3 GLY 19 HA3 GLY 19 27.813 25.205 24.116
151 H LYS 20 H LYS 20 27.899 24.650 21.189
152 HA LYS 20 HA LYS 20 27.246 27.425 20.357
153 HB2 LYS 20 HB2 LYS 20 28.940 25.453 18.764
154 HB3 LYS 20 HB3 LYS 20 28.101 26.831 18.030
155 HG2 LYS 20 HG2 LYS 20 29.253 28.357 19.643
156 HG3 LYS 20 HG3 LYS 20 30.222 26.970 20.192
157 HD2 LYS 20 HD2 LYS 20 31.003 26.674 17.815
158 HD3 LYS 20 HD3 LYS 20 30.190 28.196 17.398
159 HE2 LYS 20 HE2 LYS 20 32.272 27.826 19.586
160 HE3 LYS 20 HE3 LYS 20 32.646 28.408 17.950
161 HZ1 LYS 20 HZ1 LYS 20 31.043 30.281 18.421
162 HZ2 LYS 20 HZ2 LYS 20 31.009 29.790 19.996
163 HZ3 LYS 20 HZ3 LYS 20 32.410 30.317 19.316
164 H CYS 21 H CYS 21 25.797 27.540 18.515
165 HA CYS 21 HA CYS 21 23.788 25.342 18.474
166 HB2 CYS 21 HB2 CYS 21 22.897 27.528 18.857
167 HB3 CYS 21 HB3 CYS 21 23.767 28.202 17.474
168 H ILE 22 H ILE 22 23.865 23.853 16.960
169 HA ILE 22 HA ILE 22 25.076 24.325 14.278
170 HB ILE 22 HB ILE 22 25.896 22.250 16.336
171 HG12 ILE 22 HG12 ILE 22 27.431 24.330 14.698
172 HG13 ILE 22 HG13 ILE 22 27.063 24.443 16.417
173 HG21 ILE 22 HG21 ILE 22 27.223 21.138 14.603
174 HG22 ILE 22 HG22 ILE 22 25.534 21.100 14.147
175 HG23 ILE 22 HG23 ILE 22 26.632 22.277 13.386
176 HD11 ILE 22 HD11 ILE 22 29.375 23.881 16.106
177 HD12 ILE 22 HD12 ILE 22 28.529 22.559 16.912
178 HD13 ILE 22 HD13 ILE 22 28.967 22.429 15.184
179 H GLY 23 H GLY 23 23.757 23.602 12.714
180 HA2 GLY 23 HA2 GLY 23 21.859 22.751 11.732
181 HA3 GLY 23 HA3 GLY 23 21.989 21.362 12.808
182 H GLU 24 H GLU 24 21.432 24.778 13.736
183 HA GLU 24 HA GLU 24 19.989 25.717 15.190
184 HB2 GLU 24 HB2 GLU 24 17.919 24.188 13.593
185 HB3 GLU 24 HB3 GLU 24 17.584 25.490 14.733
186 HG2 GLU 24 HG2 GLU 24 19.200 26.955 13.416
187 HG3 GLU 24 HG3 GLU 24 19.170 25.705 12.157
188 H GLU 25 H GLU 25 21.221 23.256 16.209
189 HA GLU 25 HA GLU 25 19.644 23.196 18.700
190 HB2 GLU 25 HB2 GLU 25 18.887 21.231 17.432
191 HB3 GLU 25 HB3 GLU 25 20.537 20.704 17.205
192 HG2 GLU 25 HG2 GLU 25 19.399 19.376 18.906
193 HG3 GLU 25 HG3 GLU 25 20.780 20.225 19.587
194 H CYS 26 H CYS 26 20.940 22.550 20.558
195 HA CYS 26 HA CYS 26 23.546 23.722 20.576
196 HB2 CYS 26 HB2 CYS 26 22.019 23.700 22.482
197 HB3 CYS 26 HB3 CYS 26 22.072 21.933 22.529
198 H LYS 27 H LYS 27 25.593 22.905 20.475
199 HA LYS 27 HA LYS 27 26.112 20.017 20.874
200 HB2 LYS 27 HB2 LYS 27 26.102 20.184 18.503
201 HB3 LYS 27 HB3 LYS 27 26.933 21.746 18.520
202 HG2 LYS 27 HG2 LYS 27 28.988 20.766 19.245
203 HG3 LYS 27 HG3 LYS 27 28.250 19.183 19.507
204 HD2 LYS 27 HD2 LYS 27 28.265 18.635 17.293
205 HD3 LYS 27 HD3 LYS 27 28.019 20.303 16.736
206 HE2 LYS 27 HE2 LYS 27 30.286 20.913 17.150
207 HE3 LYS 27 HE3 LYS 27 30.565 19.479 18.156
208 HZ1 LYS 27 HZ1 LYS 27 31.590 19.223 15.989
209 HZ2 LYS 27 HZ2 LYS 27 30.459 18.094 16.245
210 HZ3 LYS 27 HZ3 LYS 27 30.151 19.365 15.219
211 H CYS 28 H CYS 28 27.935 19.613 22.011
212 HA CYS 28 HA CYS 28 29.430 21.962 23.082
213 HB2 CYS 28 HB2 CYS 28 29.193 19.220 24.330
214 HB3 CYS 28 HB3 CYS 28 29.767 20.708 25.068
215 H VAL 29 H VAL 29 31.662 22.077 22.903
216 HA VAL 29 HA VAL 29 33.128 19.743 21.749
217 HB VAL 29 HB VAL 29 34.358 21.221 20.228
218 HG11 VAL 29 HG11 VAL 29 31.374 21.203 19.686
219 HG12 VAL 29 HG12 VAL 29 32.676 21.347 18.485
220 HG13 VAL 29 HG13 VAL 29 32.495 19.845 19.405
221 HG21 VAL 29 HG21 VAL 29 33.968 23.441 21.203
222 HG22 VAL 29 HG22 VAL 29 33.425 23.391 19.528
223 HG23 VAL 29 HG23 VAL 29 32.230 23.316 20.839
224 H TYR 30 H TYR 30 35.076 19.350 22.533
225 HA TYR 30 HA TYR 30 36.156 20.652 24.841
226 HB2 TYR 30 HB2 TYR 30 37.284 18.665 22.846
227 HB3 TYR 30 HB3 TYR 30 38.183 19.241 24.237
228 HD1 TYR 30 HD1 TYR 30 37.798 18.422 26.437
229 HD2 TYR 30 HD2 TYR 30 35.147 17.305 23.230
230 HE1 TYR 30 HE1 TYR 30 36.797 16.677 27.880
231 HE2 TYR 30 HE2 TYR 30 34.133 15.553 24.691
232 HH TYR 30 HH TYR 30 35.416 14.803 27.917
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 10.670 26.579 16.903
2 H2 ALA 1 H2 ALA 1 12.080 25.828 17.308
3 H3 ALA 1 H3 ALA 1 11.901 26.464 15.814
4 HA ALA 1 HA ALA 1 11.830 28.672 16.643
5 HB1 ALA 1 HB1 ALA 1 10.652 28.190 18.727
6 HB2 ALA 1 HB2 ALA 1 12.065 27.316 19.366
7 HB3 ALA 1 HB3 ALA 1 12.157 29.060 19.076
8 H PHE 2 H PHE 2 13.696 29.947 17.204
9 HA PHE 2 HA PHE 2 16.198 29.060 16.298
10 HB2 PHE 2 HB2 PHE 2 15.558 31.328 18.219
11 HB3 PHE 2 HB3 PHE 2 17.033 31.179 17.289
12 HD1 PHE 2 HD1 PHE 2 14.382 33.203 17.419
13 HD2 PHE 2 HD2 PHE 2 16.216 30.527 14.574
14 HE1 PHE 2 HE1 PHE 2 13.416 34.520 15.545
15 HE2 PHE 2 HE2 PHE 2 15.262 31.858 12.712
16 HZ PHE 2 HZ PHE 2 13.863 33.850 13.193
17 H CYS 3 H CYS 3 18.284 28.981 17.418
18 HA CYS 3 HA CYS 3 18.179 27.084 19.610
19 HB2 CYS 3 HB2 CYS 3 20.583 26.951 19.367
20 HB3 CYS 3 HB3 CYS 3 19.771 26.826 17.822
21 H ASN 4 H ASN 4 18.694 27.269 21.690
22 HA ASN 4 HA ASN 4 18.970 29.986 22.917
23 HB2 ASN 4 HB2 ASN 4 18.338 27.337 24.267
24 HB3 ASN 4 HB3 ASN 4 18.333 28.935 25.003
25 HD21 ASN 4 HD21 ASN 4 15.238 29.221 22.578
26 HD22 ASN 4 HD22 ASN 4 16.816 29.979 22.410
27 H LEU 5 H LEU 5 21.128 30.104 21.993
28 HA LEU 5 HA LEU 5 23.098 28.097 22.533
29 HB2 LEU 5 HB2 LEU 5 23.158 29.451 20.536
30 HB3 LEU 5 HB3 LEU 5 23.292 30.932 21.472
31 HG LEU 5 HG LEU 5 25.533 30.306 22.261
32 HD11 LEU 5 HD11 LEU 5 25.427 27.864 22.271
33 HD12 LEU 5 HD12 LEU 5 25.150 27.835 20.521
34 HD13 LEU 5 HD13 LEU 5 26.709 28.385 21.180
35 HD21 LEU 5 HD21 LEU 5 25.256 31.583 20.171
36 HD22 LEU 5 HD22 LEU 5 26.674 30.528 20.106
37 HD23 LEU 5 HD23 LEU 5 25.192 30.073 19.241
38 H ARG 6 H ARG 6 22.516 31.297 24.095
39 HA ARG 6 HA ARG 6 24.793 31.213 25.825
40 HB2 ARG 6 HB2 ARG 6 22.599 32.953 25.390
41 HB3 ARG 6 HB3 ARG 6 22.367 32.407 27.036
42 HG2 ARG 6 HG2 ARG 6 23.617 34.296 27.350
43 HG3 ARG 6 HG3 ARG 6 24.887 33.085 27.381
44 HD2 ARG 6 HD2 ARG 6 24.073 34.803 24.983
45 HD3 ARG 6 HD3 ARG 6 25.431 35.151 26.053
46 HE ARG 6 HE ARG 6 26.049 32.629 25.151
47 HH11 ARG 6 HH11 ARG 6 25.577 35.722 23.458
48 HH12 ARG 6 HH12 ARG 6 26.237 35.053 22.003
49 HH21 ARG 6 HH21 ARG 6 27.068 32.035 23.407
50 HH22 ARG 6 HH22 ARG 6 27.188 33.072 21.973
51 H ARG 7 H ARG 7 21.516 29.934 26.440
52 HA ARG 7 HA ARG 7 22.264 28.660 28.954
53 HB2 ARG 7 HB2 ARG 7 19.882 28.392 27.097
54 HB3 ARG 7 HB3 ARG 7 20.063 27.398 28.554
55 HG2 ARG 7 HG2 ARG 7 20.172 29.376 29.981
56 HG3 ARG 7 HG3 ARG 7 20.100 30.452 28.570
57 HD2 ARG 7 HD2 ARG 7 17.902 29.642 27.986
58 HD3 ARG 7 HD3 ARG 7 17.930 28.438 29.291
59 HE ARG 7 HE ARG 7 18.270 30.760 30.695
60 HH11 ARG 7 HH11 ARG 7 15.870 29.912 28.274
61 HH12 ARG 7 HH12 ARG 7 14.804 31.192 28.793
62 HH21 ARG 7 HH21 ARG 7 16.761 31.986 31.534
63 HH22 ARG 7 HH22 ARG 7 15.155 32.142 30.811
64 H CYS 8 H CYS 8 22.562 27.567 25.630
65 HA CYS 8 HA CYS 8 23.049 24.770 26.263
66 HB2 CYS 8 HB2 CYS 8 22.465 25.477 23.996
67 HB3 CYS 8 HB3 CYS 8 23.886 26.509 23.928
68 H GLU 9 H GLU 9 25.242 27.574 25.660
69 HA GLU 9 HA GLU 9 27.710 26.299 26.073
70 HB2 GLU 9 HB2 GLU 9 26.727 29.129 26.557
71 HB3 GLU 9 HB3 GLU 9 28.414 28.674 26.770
72 HG2 GLU 9 HG2 GLU 9 28.627 27.994 24.462
73 HG3 GLU 9 HG3 GLU 9 26.909 28.256 24.159
74 H LEU 10 H LEU 10 25.657 27.875 28.574
75 HA LEU 10 HA LEU 10 27.536 27.257 30.699
76 HB2 LEU 10 HB2 LEU 10 26.116 28.362 32.110
77 HB3 LEU 10 HB3 LEU 10 25.828 29.113 30.557
78 HG LEU 10 HG LEU 10 23.808 27.395 30.437
79 HD11 LEU 10 HD11 LEU 10 22.763 27.054 32.651
80 HD12 LEU 10 HD12 LEU 10 24.318 26.217 32.585
81 HD13 LEU 10 HD13 LEU 10 24.188 27.764 33.439
82 HD21 LEU 10 HD21 LEU 10 23.617 29.851 30.438
83 HD22 LEU 10 HD22 LEU 10 22.368 29.118 31.455
84 HD23 LEU 10 HD23 LEU 10 23.792 29.872 32.202
85 H SER 11 H SER 11 24.915 25.471 29.230
86 HA SER 11 HA SER 11 24.793 23.387 31.290
87 HB2 SER 11 HB2 SER 11 23.867 23.254 28.396
88 HB3 SER 11 HB3 SER 11 23.458 22.133 29.703
89 HG SER 11 HG SER 11 22.736 24.863 29.381
90 H CYS 12 H CYS 12 26.514 23.739 28.151
91 HA CYS 12 HA CYS 12 27.899 21.250 28.169
92 HB2 CYS 12 HB2 CYS 12 28.721 23.966 27.072
93 HB3 CYS 12 HB3 CYS 12 29.494 22.445 26.653
94 H ARG 13 H ARG 13 28.536 24.274 29.901
95 HA ARG 13 HA ARG 13 31.144 23.671 30.845
96 HB2 ARG 13 HB2 ARG 13 29.704 25.855 30.928
97 HB3 ARG 13 HB3 ARG 13 29.124 25.216 32.473
98 HG2 ARG 13 HG2 ARG 13 31.398 25.195 33.365
99 HG3 ARG 13 HG3 ARG 13 32.070 25.593 31.776
100 HD2 ARG 13 HD2 ARG 13 32.031 27.564 33.204
101 HD3 ARG 13 HD3 ARG 13 30.979 27.784 31.802
102 HE ARG 13 HE ARG 13 29.118 26.978 33.515
103 HH11 ARG 13 HH11 ARG 13 31.725 29.242 34.388
104 HH12 ARG 13 HH12 ARG 13 30.757 29.828 35.719
105 HH21 ARG 13 HH21 ARG 13 28.010 27.938 34.981
106 HH22 ARG 13 HH22 ARG 13 28.661 29.294 35.912
107 H SER 14 H SER 14 28.078 22.288 31.878
108 HA SER 14 HA SER 14 29.052 21.160 34.361
109 HB2 SER 14 HB2 SER 14 27.122 19.817 34.395
110 HB3 SER 14 HB3 SER 14 26.614 21.365 33.709
111 HG SER 14 HG SER 14 26.512 20.441 31.700
112 H LEU 15 H LEU 15 29.321 20.128 30.987
113 HA LEU 15 HA LEU 15 30.581 17.548 31.603
114 HB2 LEU 15 HB2 LEU 15 30.859 19.070 29.015
115 HB3 LEU 15 HB3 LEU 15 30.916 17.337 29.284
116 HG LEU 15 HG LEU 15 28.475 19.150 29.264
117 HD11 LEU 15 HD11 LEU 15 27.841 17.868 27.289
118 HD12 LEU 15 HD12 LEU 15 29.417 18.640 27.072
119 HD13 LEU 15 HD13 LEU 15 29.329 16.897 27.416
120 HD21 LEU 15 HD21 LEU 15 28.114 17.323 30.925
121 HD22 LEU 15 HD22 LEU 15 27.108 17.096 29.490
122 HD23 LEU 15 HD23 LEU 15 28.589 16.130 29.697
123 H GLY 16 H GLY 16 31.528 20.861 31.100
124 HA2 GLY 16 HA2 GLY 16 33.551 21.688 32.217
125 HA3 GLY 16 HA3 GLY 16 34.429 20.291 31.591
126 H LEU 17 H LEU 17 32.212 21.747 29.319
127 HA LEU 17 HA LEU 17 34.434 23.129 27.890
128 HB2 LEU 17 HB2 LEU 17 33.638 21.790 25.856
129 HB3 LEU 17 HB3 LEU 17 34.701 21.034 27.001
130 HG LEU 17 HG LEU 17 31.812 20.536 27.562
131 HD11 LEU 17 HD11 LEU 17 31.399 19.023 25.787
132 HD12 LEU 17 HD12 LEU 17 31.823 20.607 25.092
133 HD13 LEU 17 HD13 LEU 17 33.012 19.287 25.079
134 HD21 LEU 17 HD21 LEU 17 32.665 18.187 27.702
135 HD22 LEU 17 HD22 LEU 17 34.207 18.723 27.026
136 HD23 LEU 17 HD23 LEU 17 33.716 19.271 28.642
137 H LEU 18 H LEU 18 33.578 23.917 25.648
138 HA LEU 18 HA LEU 18 31.355 25.774 26.203
139 HB2 LEU 18 HB2 LEU 18 32.160 27.074 24.414
140 HB3 LEU 18 HB3 LEU 18 33.532 26.542 25.359
141 HG LEU 18 HG LEU 18 33.676 24.627 23.483
142 HD11 LEU 18 HD11 LEU 18 32.281 26.931 22.041
143 HD12 LEU 18 HD12 LEU 18 33.160 25.612 21.244
144 HD13 LEU 18 HD13 LEU 18 31.709 25.251 22.171
145 HD21 LEU 18 HD21 LEU 18 35.430 26.268 23.977
146 HD22 LEU 18 HD22 LEU 18 35.236 26.062 22.236
147 HD23 LEU 18 HD23 LEU 18 34.562 27.505 23.039
148 H GLY 19 H GLY 19 29.874 26.326 24.338
149 HA2 GLY 19 HA2 GLY 19 28.885 23.900 22.908
150 HA3 GLY 19 HA3 GLY 19 27.780 24.942 23.779
151 H LYS 20 H LYS 20 27.801 24.206 20.968
152 HA LYS 20 HA LYS 20 28.050 26.855 19.587
153 HB2 LYS 20 HB2 LYS 20 28.977 24.167 18.479
154 HB3 LYS 20 HB3 LYS 20 29.018 25.729 17.650
155 HG2 LYS 20 HG2 LYS 20 30.603 26.570 19.418
156 HG3 LYS 20 HG3 LYS 20 30.584 24.961 20.150
157 HD2 LYS 20 HD2 LYS 20 32.562 25.177 18.861
158 HD3 LYS 20 HD3 LYS 20 31.527 23.990 18.074
159 HE2 LYS 20 HE2 LYS 20 31.031 25.411 16.269
160 HE3 LYS 20 HE3 LYS 20 31.382 26.886 17.218
161 HZ1 LYS 20 HZ1 LYS 20 33.685 26.387 17.126
162 HZ2 LYS 20 HZ2 LYS 20 33.467 24.962 16.406
163 HZ3 LYS 20 HZ3 LYS 20 33.128 26.368 15.569
164 H CYS 21 H CYS 21 26.422 27.335 18.222
165 HA CYS 21 HA CYS 21 24.038 25.609 18.231
166 HB2 CYS 21 HB2 CYS 21 23.705 27.908 18.722
167 HB3 CYS 21 HB3 CYS 21 24.585 28.428 17.295
168 H ILE 22 H ILE 22 23.298 24.449 16.636
169 HA ILE 22 HA ILE 22 24.831 24.141 14.132
170 HB ILE 22 HB ILE 22 22.715 22.354 15.344
171 HG12 ILE 22 HG12 ILE 22 24.487 22.419 16.963
172 HG13 ILE 22 HG13 ILE 22 24.559 20.894 16.125
173 HG21 ILE 22 HG21 ILE 22 24.736 21.838 13.141
174 HG22 ILE 22 HG22 ILE 22 23.774 20.575 13.932
175 HG23 ILE 22 HG23 ILE 22 22.966 21.838 13.003
176 HD11 ILE 22 HD11 ILE 22 26.488 21.675 14.782
177 HD12 ILE 22 HD12 ILE 22 26.397 23.274 15.561
178 HD13 ILE 22 HD13 ILE 22 26.797 21.855 16.520
179 H GLY 23 H GLY 23 22.069 25.557 15.212
180 HA2 GLY 23 HA2 GLY 23 21.131 26.974 13.118
181 HA3 GLY 23 HA3 GLY 23 20.422 25.387 12.764
182 H GLU 24 H GLU 24 19.114 24.393 14.443
183 HA GLU 24 HA GLU 24 17.730 26.289 16.317
184 HB2 GLU 24 HB2 GLU 24 16.813 23.625 15.154
185 HB3 GLU 24 HB3 GLU 24 15.937 24.583 16.353
186 HG2 GLU 24 HG2 GLU 24 15.921 26.502 14.710
187 HG3 GLU 24 HG3 GLU 24 16.576 25.395 13.489
188 H GLU 25 H GLU 25 19.521 23.249 16.029
189 HA GLU 25 HA GLU 25 19.369 22.788 18.964
190 HB2 GLU 25 HB2 GLU 25 20.429 21.145 16.643
191 HB3 GLU 25 HB3 GLU 25 20.702 20.697 18.323
192 HG2 GLU 25 HG2 GLU 25 17.909 21.136 17.189
193 HG3 GLU 25 HG3 GLU 25 18.726 19.584 17.173
194 H CYS 26 H CYS 26 21.466 22.085 19.989
195 HA CYS 26 HA CYS 26 23.863 23.495 19.026
196 HB2 CYS 26 HB2 CYS 26 22.711 25.151 20.350
197 HB3 CYS 26 HB3 CYS 26 22.440 24.006 21.657
198 H LYS 27 H LYS 27 25.751 22.544 19.611
199 HA LYS 27 HA LYS 27 25.650 20.086 21.319
200 HB2 LYS 27 HB2 LYS 27 26.712 18.788 19.832
201 HB3 LYS 27 HB3 LYS 27 25.867 19.821 18.681
202 HG2 LYS 27 HG2 LYS 27 28.046 21.211 18.587
203 HG3 LYS 27 HG3 LYS 27 28.785 19.917 19.539
204 HD2 LYS 27 HD2 LYS 27 27.772 19.797 16.682
205 HD3 LYS 27 HD3 LYS 27 29.393 19.495 17.311
206 HE2 LYS 27 HE2 LYS 27 28.244 17.498 18.581
207 HE3 LYS 27 HE3 LYS 27 26.921 17.745 17.431
208 HZ1 LYS 27 HZ1 LYS 27 28.393 16.138 16.532
209 HZ2 LYS 27 HZ2 LYS 27 28.663 17.465 15.639
210 HZ3 LYS 27 HZ3 LYS 27 29.728 17.025 16.845
211 H CYS 28 H CYS 28 27.537 19.548 22.496
212 HA CYS 28 HA CYS 28 29.199 21.902 23.191
213 HB2 CYS 28 HB2 CYS 28 29.089 19.212 24.536
214 HB3 CYS 28 HB3 CYS 28 29.720 20.723 25.182
215 H VAL 29 H VAL 29 31.507 21.932 23.050
216 HA VAL 29 HA VAL 29 32.854 19.530 21.922
217 HB VAL 29 HB VAL 29 34.110 20.804 20.273
218 HG11 VAL 29 HG11 VAL 29 32.086 19.528 19.610
219 HG12 VAL 29 HG12 VAL 29 31.120 21.012 19.760
220 HG13 VAL 29 HG13 VAL 29 32.417 20.910 18.555
221 HG21 VAL 29 HG21 VAL 29 33.379 22.977 19.463
222 HG22 VAL 29 HG22 VAL 29 32.164 23.090 20.760
223 HG23 VAL 29 HG23 VAL 29 33.901 23.100 21.137
224 H TYR 30 H TYR 30 34.808 19.133 22.603
225 HA TYR 30 HA TYR 30 35.894 20.307 24.934
226 HB2 TYR 30 HB2 TYR 30 36.910 18.316 22.884
227 HB3 TYR 30 HB3 TYR 30 37.911 18.827 24.223
228 HD1 TYR 30 HD1 TYR 30 37.315 18.396 26.540
229 HD2 TYR 30 HD2 TYR 30 34.998 16.761 23.295
230 HE1 TYR 30 HE1 TYR 30 36.265 16.796 28.111
231 HE2 TYR 30 HE2 TYR 30 33.960 15.126 24.865
232 HH TYR 30 HH TYR 30 35.058 14.862 28.251
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 13.338 30.492 13.814
2 H2 ALA 1 H2 ALA 1 12.193 29.310 13.819
3 H3 ALA 1 H3 ALA 1 13.752 28.951 13.394
4 HA ALA 1 HA ALA 1 12.970 29.958 16.039
5 HB1 ALA 1 HB1 ALA 1 13.250 27.652 16.884
6 HB2 ALA 1 HB2 ALA 1 11.935 27.742 15.701
7 HB3 ALA 1 HB3 ALA 1 13.508 27.062 15.226
8 H PHE 2 H PHE 2 14.673 30.400 17.360
9 HA PHE 2 HA PHE 2 17.375 30.325 16.194
10 HB2 PHE 2 HB2 PHE 2 16.435 31.475 18.832
11 HB3 PHE 2 HB3 PHE 2 17.967 31.791 18.024
12 HD1 PHE 2 HD1 PHE 2 14.992 33.303 18.761
13 HD2 PHE 2 HD2 PHE 2 17.493 32.527 15.342
14 HE1 PHE 2 HE1 PHE 2 13.993 35.253 17.587
15 HE2 PHE 2 HE2 PHE 2 16.478 34.452 14.158
16 HZ PHE 2 HZ PHE 2 14.718 35.822 15.283
17 H CYS 3 H CYS 3 19.240 29.533 17.298
18 HA CYS 3 HA CYS 3 18.861 27.127 18.936
19 HB2 CYS 3 HB2 CYS 3 21.308 26.991 18.826
20 HB3 CYS 3 HB3 CYS 3 20.578 27.140 17.252
21 H ASN 4 H ASN 4 19.044 26.950 21.055
22 HA ASN 4 HA ASN 4 18.905 29.218 22.833
23 HB2 ASN 4 HB2 ASN 4 19.140 26.228 23.426
24 HB3 ASN 4 HB3 ASN 4 18.596 27.474 24.542
25 HD21 ASN 4 HD21 ASN 4 15.335 27.704 23.099
26 HD22 ASN 4 HD22 ASN 4 16.591 28.746 23.767
27 H LEU 5 H LEU 5 21.327 29.693 21.735
28 HA LEU 5 HA LEU 5 23.508 28.205 22.614
29 HB2 LEU 5 HB2 LEU 5 23.569 29.833 20.779
30 HB3 LEU 5 HB3 LEU 5 23.439 31.162 21.932
31 HG LEU 5 HG LEU 5 25.643 30.539 22.913
32 HD11 LEU 5 HD11 LEU 5 27.108 28.948 21.682
33 HD12 LEU 5 HD12 LEU 5 25.740 28.132 22.429
34 HD13 LEU 5 HD13 LEU 5 25.726 28.459 20.677
35 HD21 LEU 5 HD21 LEU 5 25.507 32.176 21.081
36 HD22 LEU 5 HD22 LEU 5 27.020 31.266 21.033
37 HD23 LEU 5 HD23 LEU 5 25.716 30.872 19.890
38 H ARG 6 H ARG 6 21.956 30.850 24.450
39 HA ARG 6 HA ARG 6 24.078 31.130 26.412
40 HB2 ARG 6 HB2 ARG 6 21.112 31.718 26.841
41 HB3 ARG 6 HB3 ARG 6 22.462 32.371 27.735
42 HG2 ARG 6 HG2 ARG 6 21.795 32.963 24.825
43 HG3 ARG 6 HG3 ARG 6 21.488 34.015 26.200
44 HD2 ARG 6 HD2 ARG 6 24.273 33.147 25.327
45 HD3 ARG 6 HD3 ARG 6 23.458 34.632 24.826
46 HE ARG 6 HE ARG 6 23.542 34.365 27.727
47 HH11 ARG 6 HH11 ARG 6 25.359 35.590 24.963
48 HH12 ARG 6 HH12 ARG 6 26.196 36.749 25.998
49 HH21 ARG 6 HH21 ARG 6 24.754 35.787 28.905
50 HH22 ARG 6 HH22 ARG 6 25.821 36.892 28.050
51 H ARG 7 H ARG 7 21.005 29.302 26.475
52 HA ARG 7 HA ARG 7 21.594 28.003 29.028
53 HB2 ARG 7 HB2 ARG 7 19.519 27.400 26.873
54 HB3 ARG 7 HB3 ARG 7 19.604 26.598 28.453
55 HG2 ARG 7 HG2 ARG 7 19.397 28.825 29.575
56 HG3 ARG 7 HG3 ARG 7 19.184 29.586 27.989
57 HD2 ARG 7 HD2 ARG 7 17.131 28.275 27.614
58 HD3 ARG 7 HD3 ARG 7 17.366 27.457 29.174
59 HE ARG 7 HE ARG 7 17.338 30.353 29.430
60 HH11 ARG 7 HH11 ARG 7 15.062 27.653 29.079
61 HH12 ARG 7 HH12 ARG 7 13.805 28.559 29.892
62 HH21 ARG 7 HH21 ARG 7 15.688 31.205 30.774
63 HH22 ARG 7 HH22 ARG 7 14.119 30.395 30.739
64 H CYS 8 H CYS 8 22.220 27.146 25.684
65 HA CYS 8 HA CYS 8 23.128 24.453 26.124
66 HB2 CYS 8 HB2 CYS 8 22.499 25.368 23.940
67 HB3 CYS 8 HB3 CYS 8 23.799 26.546 24.041
68 H GLU 9 H GLU 9 25.017 27.558 25.824
69 HA GLU 9 HA GLU 9 27.548 26.500 26.386
70 HB2 GLU 9 HB2 GLU 9 26.269 29.206 26.807
71 HB3 GLU 9 HB3 GLU 9 27.914 28.939 27.348
72 HG2 GLU 9 HG2 GLU 9 27.175 28.186 24.508
73 HG3 GLU 9 HG3 GLU 9 27.426 29.880 24.936
74 H LEU 10 H LEU 10 25.121 27.613 28.815
75 HA LEU 10 HA LEU 10 26.959 27.089 31.019
76 HB2 LEU 10 HB2 LEU 10 25.367 27.901 32.436
77 HB3 LEU 10 HB3 LEU 10 25.083 28.764 30.946
78 HG LEU 10 HG LEU 10 23.243 26.887 30.563
79 HD11 LEU 10 HD11 LEU 10 23.778 25.561 32.614
80 HD12 LEU 10 HD12 LEU 10 23.460 26.992 33.609
81 HD13 LEU 10 HD13 LEU 10 22.151 26.230 32.679
82 HD21 LEU 10 HD21 LEU 10 22.802 29.301 30.773
83 HD22 LEU 10 HD22 LEU 10 21.595 28.362 31.663
84 HD23 LEU 10 HD23 LEU 10 22.906 29.178 32.542
85 H SER 11 H SER 11 24.517 25.174 29.368
86 HA SER 11 HA SER 11 24.532 22.894 31.151
87 HB2 SER 11 HB2 SER 11 23.968 23.029 28.158
88 HB3 SER 11 HB3 SER 11 23.639 21.660 29.221
89 HG SER 11 HG SER 11 22.435 24.222 29.203
90 H CYS 12 H CYS 12 26.486 23.722 28.248
91 HA CYS 12 HA CYS 12 28.064 21.315 28.301
92 HB2 CYS 12 HB2 CYS 12 28.722 24.005 27.046
93 HB3 CYS 12 HB3 CYS 12 29.408 22.438 26.614
94 H ARG 13 H ARG 13 28.579 24.579 29.730
95 HA ARG 13 HA ARG 13 31.187 24.255 30.711
96 HB2 ARG 13 HB2 ARG 13 29.818 26.323 30.691
97 HB3 ARG 13 HB3 ARG 13 28.840 25.700 32.022
98 HG2 ARG 13 HG2 ARG 13 30.726 25.766 33.533
99 HG3 ARG 13 HG3 ARG 13 31.853 26.092 32.204
100 HD2 ARG 13 HD2 ARG 13 29.570 27.988 32.869
101 HD3 ARG 13 HD3 ARG 13 31.116 28.086 33.694
102 HE ARG 13 HE ARG 13 30.607 28.621 30.811
103 HH11 ARG 13 HH11 ARG 13 33.050 28.572 33.379
104 HH12 ARG 13 HH12 ARG 13 34.131 29.579 32.449
105 HH21 ARG 13 HH21 ARG 13 31.983 29.911 29.778
106 HH22 ARG 13 HH22 ARG 13 33.612 30.194 30.379
107 H SER 14 H SER 14 28.217 22.838 32.048
108 HA SER 14 HA SER 14 29.226 21.891 34.530
109 HB2 SER 14 HB2 SER 14 26.849 21.752 33.847
110 HB3 SER 14 HB3 SER 14 27.277 20.525 32.636
111 HG SER 14 HG SER 14 26.711 19.342 34.347
112 H LEU 15 H LEU 15 29.561 20.453 31.259
113 HA LEU 15 HA LEU 15 31.008 18.086 32.212
114 HB2 LEU 15 HB2 LEU 15 30.863 19.118 29.383
115 HB3 LEU 15 HB3 LEU 15 31.108 17.464 29.924
116 HG LEU 15 HG LEU 15 28.542 19.087 29.948
117 HD11 LEU 15 HD11 LEU 15 29.379 16.608 28.401
118 HD12 LEU 15 HD12 LEU 15 27.772 17.369 28.356
119 HD13 LEU 15 HD13 LEU 15 29.178 18.256 27.759
120 HD21 LEU 15 HD21 LEU 15 28.533 17.615 31.933
121 HD22 LEU 15 HD22 LEU 15 27.430 16.976 30.711
122 HD23 LEU 15 HD23 LEU 15 29.032 16.234 30.938
123 H GLY 16 H GLY 16 31.898 21.318 31.543
124 HA2 GLY 16 HA2 GLY 16 34.039 22.289 31.703
125 HA3 GLY 16 HA3 GLY 16 34.798 20.710 31.525
126 H LEU 17 H LEU 17 32.328 21.626 29.183
127 HA LEU 17 HA LEU 17 34.405 22.455 27.210
128 HB2 LEU 17 HB2 LEU 17 32.677 21.211 25.570
129 HB3 LEU 17 HB3 LEU 17 34.178 20.526 26.142
130 HG LEU 17 HG LEU 17 31.595 20.064 27.602
131 HD11 LEU 17 HD11 LEU 17 31.239 19.457 25.201
132 HD12 LEU 17 HD12 LEU 17 32.562 18.294 25.333
133 HD13 LEU 17 HD13 LEU 17 31.104 18.101 26.327
134 HD21 LEU 17 HD21 LEU 17 34.110 18.357 27.150
135 HD22 LEU 17 HD22 LEU 17 33.733 19.188 28.657
136 HD23 LEU 17 HD23 LEU 17 32.723 17.844 28.120
137 H LEU 18 H LEU 18 33.452 23.338 25.228
138 HA LEU 18 HA LEU 18 31.629 25.554 25.983
139 HB2 LEU 18 HB2 LEU 18 32.341 26.630 23.976
140 HB3 LEU 18 HB3 LEU 18 33.738 26.090 24.885
141 HG LEU 18 HG LEU 18 33.360 23.957 23.151
142 HD11 LEU 18 HD11 LEU 18 32.684 26.518 21.632
143 HD12 LEU 18 HD12 LEU 18 33.071 24.950 20.903
144 HD13 LEU 18 HD13 LEU 18 31.599 25.131 21.877
145 HD21 LEU 18 HD21 LEU 18 34.988 26.474 22.626
146 HD22 LEU 18 HD22 LEU 18 35.493 25.095 23.630
147 HD23 LEU 18 HD23 LEU 18 35.257 24.876 21.890
148 H GLY 19 H GLY 19 29.821 26.096 24.725
149 HA2 GLY 19 HA2 GLY 19 28.470 23.850 23.258
150 HA3 GLY 19 HA3 GLY 19 27.657 25.209 24.030
151 H LYS 20 H LYS 20 27.841 24.137 21.131
152 HA LYS 20 HA LYS 20 28.442 26.743 19.790
153 HB2 LYS 20 HB2 LYS 20 30.340 25.069 19.718
154 HB3 LYS 20 HB3 LYS 20 29.310 24.018 18.738
155 HG2 LYS 20 HG2 LYS 20 29.116 25.811 17.026
156 HG3 LYS 20 HG3 LYS 20 30.091 26.888 18.038
157 HD2 LYS 20 HD2 LYS 20 31.048 24.259 16.825
158 HD3 LYS 20 HD3 LYS 20 31.400 25.880 16.194
159 HE2 LYS 20 HE2 LYS 20 32.532 26.451 18.358
160 HE3 LYS 20 HE3 LYS 20 32.231 24.802 18.924
161 HZ1 LYS 20 HZ1 LYS 20 33.929 25.557 16.616
162 HZ2 LYS 20 HZ2 LYS 20 34.421 24.928 18.066
163 HZ3 LYS 20 HZ3 LYS 20 33.564 23.997 17.050
164 H CYS 21 H CYS 21 27.049 27.376 18.296
165 HA CYS 21 HA CYS 21 24.528 25.913 18.072
166 HB2 CYS 21 HB2 CYS 21 24.461 28.235 18.585
167 HB3 CYS 21 HB3 CYS 21 25.492 28.638 17.214
168 H ILE 22 H ILE 22 23.810 24.806 16.427
169 HA ILE 22 HA ILE 22 25.092 24.896 13.724
170 HB ILE 22 HB ILE 22 24.066 22.419 15.151
171 HG12 ILE 22 HG12 ILE 22 26.922 23.271 14.475
172 HG13 ILE 22 HG13 ILE 22 26.226 23.171 16.092
173 HG21 ILE 22 HG21 ILE 22 25.437 22.717 12.431
174 HG22 ILE 22 HG22 ILE 22 24.847 21.209 13.160
175 HG23 ILE 22 HG23 ILE 22 23.701 22.431 12.661
176 HD11 ILE 22 HD11 ILE 22 25.886 20.711 15.772
177 HD12 ILE 22 HD12 ILE 22 26.814 20.842 14.253
178 HD13 ILE 22 HD13 ILE 22 27.580 21.247 15.795
179 H GLY 23 H GLY 23 23.552 26.346 12.945
180 HA2 GLY 23 HA2 GLY 23 21.552 27.001 11.994
181 HA3 GLY 23 HA3 GLY 23 20.996 25.333 12.114
182 H GLU 24 H GLU 24 19.192 25.109 13.362
183 HA GLU 24 HA GLU 24 18.548 27.075 15.510
184 HB2 GLU 24 HB2 GLU 24 16.340 26.295 15.457
185 HB3 GLU 24 HB3 GLU 24 16.824 26.411 13.774
186 HG2 GLU 24 HG2 GLU 24 17.207 23.930 13.753
187 HG3 GLU 24 HG3 GLU 24 16.676 23.849 15.429
188 H GLU 25 H GLU 25 20.492 24.494 15.461
189 HA GLU 25 HA GLU 25 19.631 23.395 18.083
190 HB2 GLU 25 HB2 GLU 25 19.588 21.794 16.221
191 HB3 GLU 25 HB3 GLU 25 21.258 22.175 15.847
192 HG2 GLU 25 HG2 GLU 25 21.132 20.046 16.864
193 HG3 GLU 25 HG3 GLU 25 22.039 21.127 17.895
194 H CYS 26 H CYS 26 21.343 22.764 19.611
195 HA CYS 26 HA CYS 26 23.996 23.913 19.054
196 HB2 CYS 26 HB2 CYS 26 22.808 25.663 20.248
197 HB3 CYS 26 HB3 CYS 26 22.444 24.563 21.569
198 H LYS 27 H LYS 27 25.670 22.849 19.830
199 HA LYS 27 HA LYS 27 25.244 20.258 21.300
200 HB2 LYS 27 HB2 LYS 27 25.481 20.144 18.705
201 HB3 LYS 27 HB3 LYS 27 27.124 20.716 18.946
202 HG2 LYS 27 HG2 LYS 27 27.420 18.416 18.810
203 HG3 LYS 27 HG3 LYS 27 27.392 18.669 20.544
204 HD2 LYS 27 HD2 LYS 27 25.826 17.039 20.609
205 HD3 LYS 27 HD3 LYS 27 24.687 18.237 19.985
206 HE2 LYS 27 HE2 LYS 27 25.450 17.518 17.627
207 HE3 LYS 27 HE3 LYS 27 26.347 16.215 18.414
208 HZ1 LYS 27 HZ1 LYS 27 24.222 15.376 17.774
209 HZ2 LYS 27 HZ2 LYS 27 24.125 15.575 19.434
210 HZ3 LYS 27 HZ3 LYS 27 23.413 16.633 18.430
211 H CYS 28 H CYS 28 26.959 19.614 22.699
212 HA CYS 28 HA CYS 28 28.911 21.744 23.368
213 HB2 CYS 28 HB2 CYS 28 28.567 19.086 24.758
214 HB3 CYS 28 HB3 CYS 28 29.380 20.528 25.337
215 H VAL 29 H VAL 29 31.168 21.517 23.087
216 HA VAL 29 HA VAL 29 32.124 18.959 21.861
217 HB VAL 29 HB VAL 29 33.502 20.175 20.261
218 HG11 VAL 29 HG11 VAL 29 30.526 20.700 19.900
219 HG12 VAL 29 HG12 VAL 29 31.748 20.552 18.623
220 HG13 VAL 29 HG13 VAL 29 31.338 19.145 19.615
221 HG21 VAL 29 HG21 VAL 29 31.826 22.619 20.963
222 HG22 VAL 29 HG22 VAL 29 33.581 22.434 21.204
223 HG23 VAL 29 HG23 VAL 29 32.920 22.465 19.571
224 H TYR 30 H TYR 30 33.790 18.119 22.697
225 HA TYR 30 HA TYR 30 35.078 18.919 25.003
226 HB2 TYR 30 HB2 TYR 30 35.999 16.961 22.877
227 HB3 TYR 30 HB3 TYR 30 36.647 17.064 24.505
228 HD1 TYR 30 HD1 TYR 30 33.806 15.905 22.462
229 HD2 TYR 30 HD2 TYR 30 35.301 16.415 26.475
230 HE1 TYR 30 HE1 TYR 30 31.970 14.463 23.337
231 HE2 TYR 30 HE2 TYR 30 33.465 14.962 27.341
232 HH TYR 30 HH TYR 30 31.883 13.361 26.682