NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550487 |
2ll1   |
18019 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 1.806 0.000 0.856
2 HA ASP 1 HA ASP 1 1.532 -0.558 -1.976
3 HB2 ASP 1 HB2 ASP 1 2.638 2.047 -0.932
4 HB3 ASP 1 HB3 ASP 1 3.028 1.429 -2.534
5 H CYS 2 H CYS 2 2.960 -2.105 -2.355
6 HA CYS 2 HA CYS 2 5.667 -1.848 -1.269
7 HB2 CYS 2 HB2 CYS 2 5.729 -4.152 -0.535
8 HB3 CYS 2 HB3 CYS 2 4.377 -3.340 0.248
9 H GLY 3 H GLY 3 7.194 -3.408 -2.326
10 HA2 GLY 3 HA2 GLY 3 6.530 -3.560 -5.184
11 HA3 GLY 3 HA3 GLY 3 8.151 -3.560 -4.504
12 H HIS 4 H HIS 4 8.312 -5.396 -6.079
13 HA HIS 4 HA HIS 4 7.060 -7.873 -5.213
14 HB2 HIS 4 HB2 HIS 4 9.087 -7.575 -7.424
15 HB3 HIS 4 HB3 HIS 4 7.875 -8.837 -7.220
16 HD1 HIS 4 HD1 HIS 4 8.244 -6.930 -9.759
17 HD2 HIS 4 HD2 HIS 4 5.368 -6.574 -6.781
18 HE1 HIS 4 HE1 HIS 4 6.351 -5.645 -10.803
19 H LEU 5 H LEU 5 8.801 -9.819 -5.550
20 HA LEU 5 HA LEU 5 10.501 -9.613 -3.269
21 HB2 LEU 5 HB2 LEU 5 9.674 -11.739 -3.534
22 HB3 LEU 5 HB3 LEU 5 9.870 -11.711 -5.285
23 HG LEU 5 HG LEU 5 12.280 -12.032 -5.024
24 HD11 LEU 5 HD11 LEU 5 12.388 -10.888 -2.786
25 HD12 LEU 5 HD12 LEU 5 13.319 -12.379 -2.925
26 HD13 LEU 5 HD13 LEU 5 11.772 -12.381 -2.080
27 HD21 LEU 5 HD21 LEU 5 11.934 -14.227 -5.041
28 HD22 LEU 5 HD22 LEU 5 10.265 -13.905 -4.570
29 HD23 LEU 5 HD23 LEU 5 11.483 -14.231 -3.336
30 H HIS 6 H HIS 6 11.131 -9.988 -6.752
31 HA HIS 6 HA HIS 6 13.947 -9.324 -6.282
32 HB2 HIS 6 HB2 HIS 6 12.541 -10.421 -8.725
33 HB3 HIS 6 HB3 HIS 6 14.259 -10.040 -8.654
34 HD1 HIS 6 HD1 HIS 6 15.314 -11.334 -6.271
35 HD2 HIS 6 HD2 HIS 6 12.239 -13.080 -8.452
36 HE1 HIS 6 HE1 HIS 6 15.379 -13.779 -5.686
37 H ASP 7 H ASP 7 11.640 -7.407 -6.249
38 HA ASP 7 HA ASP 7 12.090 -5.754 -8.589
39 HB2 ASP 7 HB2 ASP 7 10.023 -6.028 -6.633
40 HB3 ASP 7 HB3 ASP 7 10.585 -4.359 -6.622
41 HA PRO 8 HA PRO 8 15.155 -3.095 -6.918
42 HB2 PRO 8 HB2 PRO 8 14.463 -0.714 -8.023
43 HB3 PRO 8 HB3 PRO 8 15.180 -2.034 -8.956
44 HG2 PRO 8 HG2 PRO 8 12.307 -1.225 -8.717
45 HG3 PRO 8 HG3 PRO 8 13.219 -1.705 -10.161
46 HD2 PRO 8 HD2 PRO 8 11.557 -3.399 -8.858
47 HD3 PRO 8 HD3 PRO 8 13.023 -3.953 -9.692
48 H CYS 9 H CYS 9 15.543 -1.323 -5.476
49 HA CYS 9 HA CYS 9 13.233 -0.129 -4.161
50 HB2 CYS 9 HB2 CYS 9 14.170 -0.746 -1.906
51 HB3 CYS 9 HB3 CYS 9 13.503 -2.093 -2.824
52 HA PRO 10 HA PRO 10 16.971 2.630 -4.709
53 HB2 PRO 10 HB2 PRO 10 15.663 4.576 -6.077
54 HB3 PRO 10 HB3 PRO 10 16.412 3.184 -6.868
55 HG2 PRO 10 HG2 PRO 10 13.542 3.634 -6.148
56 HG3 PRO 10 HG3 PRO 10 14.229 2.960 -7.637
57 HD2 PRO 10 HD2 PRO 10 13.183 1.407 -5.682
58 HD3 PRO 10 HD3 PRO 10 14.536 0.876 -6.701
59 H ASN 11 H ASN 11 13.608 3.263 -3.844
60 HA ASN 11 HA ASN 11 14.406 5.545 -2.202
61 HB2 ASN 11 HB2 ASN 11 11.743 4.460 -3.097
62 HB3 ASN 11 HB3 ASN 11 11.861 5.666 -1.819
63 HD21 ASN 11 HD21 ASN 11 11.642 5.152 -5.112
64 HD22 ASN 11 HD22 ASN 11 12.035 6.745 -5.653
65 H ASP 12 H ASP 12 15.198 2.841 -1.478
66 HA ASP 12 HA ASP 12 13.557 1.863 0.621
67 HB2 ASP 12 HB2 ASP 12 15.033 0.281 -0.285
68 HB3 ASP 12 HB3 ASP 12 16.407 1.380 -0.204
69 H ARG 13 H ARG 13 13.205 2.785 2.519
70 HA ARG 13 HA ARG 13 15.412 4.184 3.854
71 HB2 ARG 13 HB2 ARG 13 13.549 5.811 4.677
72 HB3 ARG 13 HB3 ARG 13 14.276 6.053 3.094
73 HG2 ARG 13 HG2 ARG 13 12.368 4.884 2.066
74 HG3 ARG 13 HG3 ARG 13 11.632 4.729 3.662
75 HD2 ARG 13 HD2 ARG 13 12.463 7.426 2.702
76 HD3 ARG 13 HD3 ARG 13 10.986 6.708 2.060
77 HE ARG 13 HE ARG 13 10.948 6.517 4.858
78 HH11 ARG 13 HH11 ARG 13 10.764 8.913 2.339
79 HH12 ARG 13 HH12 ARG 13 9.800 10.009 3.273
80 HH21 ARG 13 HH21 ARG 13 9.679 7.951 6.097
81 HH22 ARG 13 HH22 ARG 13 9.185 9.462 5.411
82 HA PRO 14 HA PRO 14 14.196 2.047 7.486
83 HB2 PRO 14 HB2 PRO 14 14.657 3.892 9.424
84 HB3 PRO 14 HB3 PRO 14 15.956 3.065 8.556
85 HG2 PRO 14 HG2 PRO 14 14.819 5.798 8.108
86 HG3 PRO 14 HG3 PRO 14 16.514 5.278 8.109
87 HD2 PRO 14 HD2 PRO 14 15.115 5.680 5.826
88 HD3 PRO 14 HD3 PRO 14 16.395 4.456 5.959
89 H GLY 15 H GLY 15 12.031 1.632 7.502
90 HA2 GLY 15 HA2 GLY 15 10.082 1.965 8.924
91 HA3 GLY 15 HA3 GLY 15 10.322 3.696 8.740
92 H HIS 16 H HIS 16 10.974 2.718 5.777
93 HA HIS 16 HA HIS 16 8.336 2.105 4.799
94 HB2 HIS 16 HB2 HIS 16 8.566 4.692 5.250
95 HB3 HIS 16 HB3 HIS 16 9.458 4.664 3.731
96 HD1 HIS 16 HD1 HIS 16 6.027 4.029 5.139
97 HD2 HIS 16 HD2 HIS 16 7.912 4.394 1.454
98 HE1 HIS 16 HE1 HIS 16 4.173 4.140 3.443
99 H ARG 17 H ARG 17 9.511 0.318 3.960
100 HA ARG 17 HA ARG 17 11.498 0.898 1.895
101 HB2 ARG 17 HB2 ARG 17 10.619 -1.702 3.162
102 HB3 ARG 17 HB3 ARG 17 11.821 -1.583 1.884
103 HG2 ARG 17 HG2 ARG 17 13.057 0.009 3.477
104 HG3 ARG 17 HG3 ARG 17 11.997 -0.653 4.723
105 HD2 ARG 17 HD2 ARG 17 13.360 -2.600 2.963
106 HD3 ARG 17 HD3 ARG 17 14.379 -1.713 4.097
107 HE ARG 17 HE ARG 17 12.483 -3.770 4.722
108 HH11 ARG 17 HH11 ARG 17 14.116 -0.945 5.935
109 HH12 ARG 17 HH12 ARG 17 13.966 -1.412 7.597
110 HH21 ARG 17 HH21 ARG 17 12.279 -4.395 6.906
111 HH22 ARG 17 HH22 ARG 17 12.922 -3.375 8.148
112 H THR 18 H THR 18 11.361 -0.320 -0.161
113 HA THR 18 HA THR 18 8.629 -0.199 -1.186
114 HB THR 18 HB THR 18 9.546 -0.078 -3.370
115 HG1 THR 18 HG1 THR 18 11.773 -1.243 -2.146
116 HG21 THR 18 HG21 THR 18 11.646 1.433 -1.873
117 HG22 THR 18 HG22 THR 18 9.950 1.875 -1.674
118 HG23 THR 18 HG23 THR 18 10.693 1.925 -3.272
119 H CYS 19 H CYS 19 9.810 -2.455 0.455
120 HA CYS 19 HA CYS 19 9.362 -4.637 -1.473
121 HB2 CYS 19 HB2 CYS 19 10.954 -4.587 1.095
122 HB3 CYS 19 HB3 CYS 19 10.575 -6.064 0.216
123 H CYS 20 H CYS 20 7.951 -6.296 -0.954
124 HA CYS 20 HA CYS 20 5.818 -5.586 0.829
125 HB2 CYS 20 HB2 CYS 20 6.127 -7.265 -1.419
126 HB3 CYS 20 HB3 CYS 20 5.648 -8.309 -0.084
127 H ILE 21 H ILE 21 4.922 -7.757 2.041
128 HA ILE 21 HA ILE 21 6.555 -8.021 4.313
129 HB ILE 21 HB ILE 21 4.149 -8.322 4.455
130 HG12 ILE 21 HG12 ILE 21 5.474 -10.954 5.119
131 HG13 ILE 21 HG13 ILE 21 5.723 -9.486 6.059
132 HG21 ILE 21 HG21 ILE 21 2.962 -9.635 3.101
133 HG22 ILE 21 HG22 ILE 21 4.444 -9.852 2.172
134 HG23 ILE 21 HG23 ILE 21 4.003 -11.024 3.413
135 HD11 ILE 21 HD11 ILE 21 3.231 -9.419 6.392
136 HD12 ILE 21 HD12 ILE 21 3.182 -11.039 5.696
137 HD13 ILE 21 HD13 ILE 21 4.082 -10.746 7.183
138 H GLY 22 H GLY 22 7.876 -9.654 5.049
139 HA2 GLY 22 HA2 GLY 22 9.250 -11.498 4.964
140 HA3 GLY 22 HA3 GLY 22 8.197 -12.146 3.715
141 H LEU 23 H LEU 23 9.807 -9.047 3.449
142 HA LEU 23 HA LEU 23 11.715 -10.208 1.539
143 HB2 LEU 23 HB2 LEU 23 9.986 -7.779 1.106
144 HB3 LEU 23 HB3 LEU 23 11.351 -8.220 0.081
145 HG LEU 23 HG LEU 23 8.830 -9.836 0.462
146 HD11 LEU 23 HD11 LEU 23 8.060 -8.241 -0.940
147 HD12 LEU 23 HD12 LEU 23 8.894 -9.223 -2.145
148 HD13 LEU 23 HD13 LEU 23 9.674 -7.784 -1.487
149 HD21 LEU 23 HD21 LEU 23 11.302 -10.296 -1.195
150 HD22 LEU 23 HD22 LEU 23 9.774 -11.129 -1.476
151 HD23 LEU 23 HD23 LEU 23 10.625 -11.340 0.055
152 H GLN 24 H GLN 24 13.426 -8.536 0.926
153 HA GLN 24 HA GLN 24 13.959 -6.545 2.970
154 HB2 GLN 24 HB2 GLN 24 14.960 -8.397 4.061
155 HB3 GLN 24 HB3 GLN 24 15.670 -8.991 2.566
156 HG2 GLN 24 HG2 GLN 24 17.413 -7.543 2.650
157 HG3 GLN 24 HG3 GLN 24 16.483 -6.296 3.480
158 HE21 GLN 24 HE21 GLN 24 17.605 -9.615 4.064
159 HE22 GLN 24 HE22 GLN 24 18.126 -9.334 5.687
160 H CYS 25 H CYS 25 15.402 -4.954 2.324
161 HA CYS 25 HA CYS 25 16.028 -4.977 -0.541
162 HB2 CYS 25 HB2 CYS 25 14.681 -3.093 0.216
163 HB3 CYS 25 HB3 CYS 25 15.887 -2.689 1.434
164 H ARG 26 H ARG 26 18.014 -5.636 -1.019
165 HA ARG 26 HA ARG 26 20.279 -4.432 0.350
166 HB2 ARG 26 HB2 ARG 26 19.877 -7.424 0.194
167 HB3 ARG 26 HB3 ARG 26 21.388 -6.646 0.645
168 HG2 ARG 26 HG2 ARG 26 18.809 -6.224 2.130
169 HG3 ARG 26 HG3 ARG 26 19.984 -7.472 2.548
170 HD2 ARG 26 HD2 ARG 26 21.610 -5.904 3.150
171 HD3 ARG 26 HD3 ARG 26 20.792 -4.596 2.296
172 HE ARG 26 HE ARG 26 19.147 -5.580 4.370
173 HH11 ARG 26 HH11 ARG 26 22.019 -3.687 3.832
174 HH12 ARG 26 HH12 ARG 26 21.832 -2.753 5.279
175 HH21 ARG 26 HH21 ARG 26 18.890 -4.357 6.278
176 HH22 ARG 26 HH22 ARG 26 20.052 -3.135 6.670
177 H TYR 27 H TYR 27 22.178 -4.415 -0.874
178 HA TYR 27 HA TYR 27 23.443 -4.364 -2.763
179 HB2 TYR 27 HB2 TYR 27 21.768 -6.615 -3.858
180 HB3 TYR 27 HB3 TYR 27 23.459 -6.252 -4.186
181 HD1 TYR 27 HD2 TYR 27 25.186 -6.760 -2.492
182 HD2 TYR 27 HD1 TYR 27 21.123 -7.896 -1.941
183 HE1 TYR 27 HE2 TYR 27 25.870 -8.329 -0.727
184 HE2 TYR 27 HE1 TYR 27 21.796 -9.469 -0.174
185 HH TYR 27 HH TYR 27 24.798 -9.412 1.290
186 H GLY 28 H GLY 28 21.121 -2.709 -2.580
187 HA2 GLY 28 HA2 GLY 28 19.982 -1.220 -3.907
188 HA3 GLY 28 HA3 GLY 28 20.987 -1.766 -5.241
189 H LYS 29 H LYS 29 19.320 -4.294 -3.728
190 HA LYS 29 HA LYS 29 16.993 -4.074 -5.479
191 HB2 LYS 29 HB2 LYS 29 19.230 -5.894 -5.898
192 HB3 LYS 29 HB3 LYS 29 17.699 -6.745 -5.743
193 HG2 LYS 29 HG2 LYS 29 16.775 -5.649 -7.599
194 HG3 LYS 29 HG3 LYS 29 18.036 -4.414 -7.601
195 HD2 LYS 29 HD2 LYS 29 18.394 -6.002 -9.408
196 HD3 LYS 29 HD3 LYS 29 19.691 -6.119 -8.217
197 HE2 LYS 29 HE2 LYS 29 19.228 -8.260 -7.826
198 HE3 LYS 29 HE3 LYS 29 17.524 -7.899 -7.552
199 HZ1 LYS 29 HZ1 LYS 29 17.482 -9.307 -9.364
200 HZ2 LYS 29 HZ2 LYS 29 18.873 -8.645 -10.064
201 HZ3 LYS 29 HZ3 LYS 29 17.416 -7.786 -10.103
202 H CYS 30 H CYS 30 15.414 -5.887 -5.033
203 HA CYS 30 HA CYS 30 15.291 -6.297 -2.136
204 HB2 CYS 30 HB2 CYS 30 13.394 -5.240 -3.545
205 HB3 CYS 30 HB3 CYS 30 13.060 -6.889 -4.064
206 H LEU 31 H LEU 31 14.952 -8.311 -1.206
207 HA LEU 31 HA LEU 31 14.912 -10.667 -2.915
208 HB2 LEU 31 HB2 LEU 31 16.799 -11.412 -1.074
209 HB3 LEU 31 HB3 LEU 31 17.111 -10.969 -2.751
210 HG LEU 31 HG LEU 31 17.097 -8.831 -0.670
211 HD11 LEU 31 HD11 LEU 31 19.718 -10.014 -1.168
212 HD12 LEU 31 HD12 LEU 31 18.626 -11.060 -0.260
213 HD13 LEU 31 HD13 LEU 31 18.995 -9.442 0.336
214 HD21 LEU 31 HD21 LEU 31 19.171 -8.392 -2.368
215 HD22 LEU 31 HD22 LEU 31 17.539 -7.762 -2.594
216 HD23 LEU 31 HD23 LEU 31 18.036 -9.240 -3.420
217 H VAL 32 H VAL 32 14.978 -12.701 -1.381
218 HA VAL 32 HA VAL 32 12.737 -12.415 0.383
219 HB VAL 32 HB VAL 32 12.906 -14.434 -0.913
220 HG11 VAL 32 HG11 VAL 32 14.857 -15.398 -1.347
221 HG12 VAL 32 HG12 VAL 32 15.653 -14.281 -0.237
222 HG13 VAL 32 HG13 VAL 32 15.038 -15.824 0.354
223 HG21 VAL 32 HG21 VAL 32 12.232 -15.895 0.709
224 HG22 VAL 32 HG22 VAL 32 13.556 -15.475 1.795
225 HG23 VAL 32 HG23 VAL 32 12.176 -14.390 1.628
226 H ARG 33 H ARG 33 12.875 -11.731 2.408
227 HA ARG 33 HA ARG 33 15.296 -11.454 3.824
228 HB2 ARG 33 HB2 ARG 33 13.122 -10.163 4.160
229 HB3 ARG 33 HB3 ARG 33 12.559 -11.551 5.081
230 HG2 ARG 33 HG2 ARG 33 13.987 -11.153 6.824
231 HG3 ARG 33 HG3 ARG 33 15.166 -10.319 5.809
232 HD2 ARG 33 HD2 ARG 33 14.258 -8.340 6.264
233 HD3 ARG 33 HD3 ARG 33 12.651 -8.915 5.823
234 HE ARG 33 HE ARG 33 12.174 -9.065 8.043
235 HH11 ARG 33 HH11 ARG 33 15.631 -9.191 7.650
236 HH12 ARG 33 HH12 ARG 33 15.955 -9.206 9.352
237 HH21 ARG 33 HH21 ARG 33 12.588 -9.083 10.286
238 HH22 ARG 33 HH22 ARG 33 14.223 -9.145 10.850
Start of MODEL 2
1 H1 ASP 1 H ASP 1 1.464 -0.081 0.676
2 HA ASP 1 HA ASP 1 1.396 -0.702 -1.710
3 HB2 ASP 1 HB2 ASP 1 1.677 2.041 -1.977
4 HB3 ASP 1 HB3 ASP 1 3.233 1.416 -2.518
5 H CYS 2 H CYS 2 2.875 -2.197 -2.243
6 HA CYS 2 HA CYS 2 5.627 -1.861 -1.267
7 HB2 CYS 2 HB2 CYS 2 5.699 -4.151 -0.489
8 HB3 CYS 2 HB3 CYS 2 4.353 -3.326 0.290
9 H GLY 3 H GLY 3 7.149 -3.438 -2.306
10 HA2 GLY 3 HA2 GLY 3 6.462 -3.649 -5.154
11 HA3 GLY 3 HA3 GLY 3 8.089 -3.631 -4.488
12 H HIS 4 H HIS 4 8.242 -5.497 -6.027
13 HA HIS 4 HA HIS 4 7.005 -7.960 -5.101
14 HB2 HIS 4 HB2 HIS 4 9.013 -7.702 -7.334
15 HB3 HIS 4 HB3 HIS 4 7.806 -8.962 -7.096
16 HD1 HIS 4 HD1 HIS 4 8.151 -7.103 -9.674
17 HD2 HIS 4 HD2 HIS 4 5.296 -6.699 -6.683
18 HE1 HIS 4 HE1 HIS 4 6.246 -5.843 -10.728
19 H LEU 5 H LEU 5 8.749 -9.908 -5.413
20 HA LEU 5 HA LEU 5 10.466 -9.651 -3.151
21 HB2 LEU 5 HB2 LEU 5 9.645 -11.784 -3.366
22 HB3 LEU 5 HB3 LEU 5 9.824 -11.791 -5.119
23 HG LEU 5 HG LEU 5 12.237 -12.099 -4.874
24 HD11 LEU 5 HD11 LEU 5 11.758 -12.392 -1.919
25 HD12 LEU 5 HD12 LEU 5 12.362 -10.911 -2.660
26 HD13 LEU 5 HD13 LEU 5 13.298 -12.401 -2.778
27 HD21 LEU 5 HD21 LEU 5 11.877 -14.344 -3.375
28 HD22 LEU 5 HD22 LEU 5 11.493 -14.203 -5.090
29 HD23 LEU 5 HD23 LEU 5 10.226 -13.985 -3.882
30 H HIS 6 H HIS 6 11.070 -10.096 -6.631
31 HA HIS 6 HA HIS 6 13.887 -9.413 -6.197
32 HB2 HIS 6 HB2 HIS 6 12.466 -10.563 -8.606
33 HB3 HIS 6 HB3 HIS 6 14.184 -10.177 -8.555
34 HD1 HIS 6 HD1 HIS 6 15.258 -11.420 -6.153
35 HD2 HIS 6 HD2 HIS 6 12.173 -13.217 -8.279
36 HE1 HIS 6 HE1 HIS 6 15.332 -13.853 -5.519
37 H ASP 7 H ASP 7 11.574 -7.503 -6.184
38 HA ASP 7 HA ASP 7 11.999 -5.897 -8.561
39 HB2 ASP 7 HB2 ASP 7 9.952 -6.137 -6.581
40 HB3 ASP 7 HB3 ASP 7 10.510 -4.466 -6.606
41 HA PRO 8 HA PRO 8 15.075 -3.200 -6.975
42 HB2 PRO 8 HB2 PRO 8 14.372 -0.845 -8.129
43 HB3 PRO 8 HB3 PRO 8 15.083 -2.185 -9.037
44 HG2 PRO 8 HG2 PRO 8 12.211 -1.374 -8.793
45 HG3 PRO 8 HG3 PRO 8 13.111 -1.885 -10.233
46 HD2 PRO 8 HD2 PRO 8 11.462 -3.552 -8.878
47 HD3 PRO 8 HD3 PRO 8 12.923 -4.122 -9.712
48 H CYS 9 H CYS 9 15.474 -1.395 -5.577
49 HA CYS 9 HA CYS 9 13.173 -0.171 -4.272
50 HB2 CYS 9 HB2 CYS 9 14.124 -0.741 -2.010
51 HB3 CYS 9 HB3 CYS 9 13.450 -2.107 -2.894
52 HA PRO 10 HA PRO 10 16.913 2.568 -4.904
53 HB2 PRO 10 HB2 PRO 10 15.599 4.486 -6.306
54 HB3 PRO 10 HB3 PRO 10 16.342 3.076 -7.071
55 HG2 PRO 10 HG2 PRO 10 13.476 3.546 -6.344
56 HG3 PRO 10 HG3 PRO 10 14.154 2.838 -7.822
57 HD2 PRO 10 HD2 PRO 10 13.117 1.330 -5.826
58 HD3 PRO 10 HD3 PRO 10 14.463 0.775 -6.841
59 H ASN 11 H ASN 11 13.556 3.225 -4.032
60 HA ASN 11 HA ASN 11 14.366 5.542 -2.447
61 HB2 ASN 11 HB2 ASN 11 11.706 4.445 -3.325
62 HB3 ASN 11 HB3 ASN 11 11.813 5.649 -2.044
63 HD21 ASN 11 HD21 ASN 11 12.441 4.999 -5.421
64 HD22 ASN 11 HD22 ASN 11 12.502 6.651 -5.926
65 H ASP 12 H ASP 12 15.163 2.855 -1.667
66 HA ASP 12 HA ASP 12 13.536 1.926 0.464
67 HB2 ASP 12 HB2 ASP 12 15.003 0.322 -0.414
68 HB3 ASP 12 HB3 ASP 12 16.378 1.422 -0.371
69 H ARG 13 H ARG 13 13.198 2.890 2.344
70 HA ARG 13 HA ARG 13 15.414 4.330 3.623
71 HB2 ARG 13 HB2 ARG 13 13.548 5.954 4.441
72 HB3 ARG 13 HB3 ARG 13 14.244 6.170 2.840
73 HG2 ARG 13 HG2 ARG 13 12.331 4.958 1.873
74 HG3 ARG 13 HG3 ARG 13 11.625 4.833 3.486
75 HD2 ARG 13 HD2 ARG 13 12.309 7.426 2.107
76 HD3 ARG 13 HD3 ARG 13 10.703 6.699 2.130
77 HE ARG 13 HE ARG 13 11.826 7.097 4.744
78 HH11 ARG 13 HH11 ARG 13 10.020 8.560 2.152
79 HH12 ARG 13 HH12 ARG 13 9.245 9.724 3.175
80 HH21 ARG 13 HH21 ARG 13 10.812 8.626 6.101
81 HH22 ARG 13 HH22 ARG 13 9.697 9.762 5.420
82 HA PRO 14 HA PRO 14 14.275 2.253 7.315
83 HB2 PRO 14 HB2 PRO 14 14.744 4.141 9.209
84 HB3 PRO 14 HB3 PRO 14 16.039 3.311 8.338
85 HG2 PRO 14 HG2 PRO 14 14.866 6.022 7.853
86 HG3 PRO 14 HG3 PRO 14 16.566 5.520 7.839
87 HD2 PRO 14 HD2 PRO 14 15.129 5.861 5.569
88 HD3 PRO 14 HD3 PRO 14 16.424 4.654 5.707
89 H GLY 15 H GLY 15 12.112 1.818 7.361
90 HA2 GLY 15 HA2 GLY 15 10.179 2.154 8.804
91 HA3 GLY 15 HA3 GLY 15 10.401 3.885 8.594
92 H HIS 16 H HIS 16 11.022 2.856 5.636
93 HA HIS 16 HA HIS 16 8.372 2.220 4.705
94 HB2 HIS 16 HB2 HIS 16 9.517 4.971 4.422
95 HB3 HIS 16 HB3 HIS 16 8.515 4.320 3.128
96 HD1 HIS 16 HD1 HIS 16 6.144 3.195 4.283
97 HD2 HIS 16 HD2 HIS 16 8.015 6.416 6.123
98 HE1 HIS 16 HE1 HIS 16 4.386 4.252 5.738
99 H ARG 17 H ARG 17 9.536 0.417 3.886
100 HA ARG 17 HA ARG 17 11.495 0.957 1.784
101 HB2 ARG 17 HB2 ARG 17 10.618 -1.711 2.900
102 HB3 ARG 17 HB3 ARG 17 12.012 -1.402 1.873
103 HG2 ARG 17 HG2 ARG 17 12.931 0.035 3.707
104 HG3 ARG 17 HG3 ARG 17 11.613 -0.545 4.726
105 HD2 ARG 17 HD2 ARG 17 13.413 -2.470 3.303
106 HD3 ARG 17 HD3 ARG 17 13.904 -1.740 4.832
107 HE ARG 17 HE ARG 17 11.318 -2.823 5.091
108 HH11 ARG 17 HH11 ARG 17 14.640 -3.807 4.755
109 HH12 ARG 17 HH12 ARG 17 14.419 -5.303 5.601
110 HH21 ARG 17 HH21 ARG 17 11.013 -4.789 6.206
111 HH22 ARG 17 HH22 ARG 17 12.355 -5.861 6.426
112 H THR 18 H THR 18 11.332 -0.298 -0.246
113 HA THR 18 HA THR 18 8.585 -0.202 -1.236
114 HB THR 18 HB THR 18 9.471 -0.116 -3.434
115 HG1 THR 18 HG1 THR 18 11.211 -1.218 -3.881
116 HG21 THR 18 HG21 THR 18 9.900 1.866 -1.779
117 HG22 THR 18 HG22 THR 18 10.623 1.887 -3.388
118 HG23 THR 18 HG23 THR 18 11.592 1.418 -1.991
119 H CYS 19 H CYS 19 9.786 -2.424 0.433
120 HA CYS 19 HA CYS 19 9.325 -4.643 -1.450
121 HB2 CYS 19 HB2 CYS 19 10.936 -4.542 1.104
122 HB3 CYS 19 HB3 CYS 19 10.554 -6.036 0.254
123 H CYS 20 H CYS 20 7.927 -6.300 -0.882
124 HA CYS 20 HA CYS 20 5.805 -5.557 0.903
125 HB2 CYS 20 HB2 CYS 20 6.096 -7.276 -1.316
126 HB3 CYS 20 HB3 CYS 20 5.633 -8.297 0.041
127 H ILE 21 H ILE 21 4.922 -7.701 2.167
128 HA ILE 21 HA ILE 21 6.574 -7.922 4.428
129 HB ILE 21 HB ILE 21 4.168 -8.226 4.589
130 HG12 ILE 21 HG12 ILE 21 5.518 -10.832 5.307
131 HG13 ILE 21 HG13 ILE 21 5.751 -9.342 6.215
132 HG21 ILE 21 HG21 ILE 21 4.451 -9.799 2.338
133 HG22 ILE 21 HG22 ILE 21 4.040 -10.954 3.606
134 HG23 ILE 21 HG23 ILE 21 2.977 -9.584 3.283
135 HD11 ILE 21 HD11 ILE 21 2.956 -10.137 5.777
136 HD12 ILE 21 HD12 ILE 21 3.909 -11.196 6.818
137 HD13 ILE 21 HD13 ILE 21 3.746 -9.484 7.212
138 H GLY 22 H GLY 22 7.910 -9.534 5.181
139 HA2 GLY 22 HA2 GLY 22 9.288 -11.376 5.119
140 HA3 GLY 22 HA3 GLY 22 8.226 -12.051 3.892
141 H LEU 23 H LEU 23 9.831 -8.955 3.560
142 HA LEU 23 HA LEU 23 11.725 -10.146 1.656
143 HB2 LEU 23 HB2 LEU 23 9.984 -7.732 1.185
144 HB3 LEU 23 HB3 LEU 23 11.340 -8.193 0.158
145 HG LEU 23 HG LEU 23 8.828 -9.807 0.597
146 HD11 LEU 23 HD11 LEU 23 8.039 -8.245 -0.831
147 HD12 LEU 23 HD12 LEU 23 8.865 -9.248 -2.022
148 HD13 LEU 23 HD13 LEU 23 9.645 -7.793 -1.402
149 HD21 LEU 23 HD21 LEU 23 11.288 -10.294 -1.070
150 HD22 LEU 23 HD22 LEU 23 9.758 -11.135 -1.326
151 HD23 LEU 23 HD23 LEU 23 10.619 -11.315 0.204
152 H GLN 24 H GLN 24 13.425 -8.481 0.996
153 HA GLN 24 HA GLN 24 13.964 -6.445 2.992
154 HB2 GLN 24 HB2 GLN 24 14.981 -8.266 4.117
155 HB3 GLN 24 HB3 GLN 24 15.678 -8.895 2.630
156 HG2 GLN 24 HG2 GLN 24 17.418 -7.438 2.660
157 HG3 GLN 24 HG3 GLN 24 16.495 -6.178 3.476
158 HE21 GLN 24 HE21 GLN 24 17.612 -9.487 4.122
159 HE22 GLN 24 HE22 GLN 24 18.160 -9.170 5.729
160 H CYS 25 H CYS 25 15.396 -4.863 2.302
161 HA CYS 25 HA CYS 25 16.002 -4.944 -0.566
162 HB2 CYS 25 HB2 CYS 25 14.654 -3.049 0.162
163 HB3 CYS 25 HB3 CYS 25 15.869 -2.616 1.360
164 H ARG 26 H ARG 26 17.986 -5.608 -1.045
165 HA ARG 26 HA ARG 26 20.257 -4.369 0.281
166 HB2 ARG 26 HB2 ARG 26 19.863 -7.365 0.189
167 HB3 ARG 26 HB3 ARG 26 21.376 -6.574 0.612
168 HG2 ARG 26 HG2 ARG 26 18.808 -6.126 2.109
169 HG3 ARG 26 HG3 ARG 26 19.987 -7.365 2.542
170 HD2 ARG 26 HD2 ARG 26 21.585 -5.189 2.335
171 HD3 ARG 26 HD3 ARG 26 20.086 -4.446 2.892
172 HE ARG 26 HE ARG 26 20.663 -6.705 4.471
173 HH11 ARG 26 HH11 ARG 26 21.784 -3.462 3.878
174 HH12 ARG 26 HH12 ARG 26 22.420 -3.251 5.476
175 HH21 ARG 26 HH21 ARG 26 21.497 -6.438 6.577
176 HH22 ARG 26 HH22 ARG 26 22.257 -4.945 7.010
177 H TYR 27 H TYR 27 22.146 -4.371 -0.957
178 HA TYR 27 HA TYR 27 23.397 -4.353 -2.856
179 HB2 TYR 27 HB2 TYR 27 21.722 -6.632 -3.893
180 HB3 TYR 27 HB3 TYR 27 23.409 -6.270 -4.241
181 HD1 TYR 27 HD2 TYR 27 25.150 -6.738 -2.550
182 HD2 TYR 27 HD1 TYR 27 21.095 -7.876 -1.946
183 HE1 TYR 27 HE2 TYR 27 25.852 -8.269 -0.758
184 HE2 TYR 27 HE1 TYR 27 21.786 -9.410 -0.152
185 HH TYR 27 HH TYR 27 24.269 -9.316 1.492
186 H GLY 28 H GLY 28 21.071 -2.703 -2.690
187 HA2 GLY 28 HA2 GLY 28 19.916 -1.246 -4.038
188 HA3 GLY 28 HA3 GLY 28 20.913 -1.816 -5.368
189 H LYS 29 H LYS 29 19.266 -4.316 -3.791
190 HA LYS 29 HA LYS 29 16.925 -4.140 -5.528
191 HB2 LYS 29 HB2 LYS 29 19.165 -5.961 -5.927
192 HB3 LYS 29 HB3 LYS 29 17.638 -6.814 -5.744
193 HG2 LYS 29 HG2 LYS 29 16.718 -5.834 -7.635
194 HG3 LYS 29 HG3 LYS 29 17.877 -4.503 -7.628
195 HD2 LYS 29 HD2 LYS 29 18.821 -7.317 -8.011
196 HD3 LYS 29 HD3 LYS 29 18.129 -6.423 -9.367
197 HE2 LYS 29 HE2 LYS 29 20.114 -4.917 -7.833
198 HE3 LYS 29 HE3 LYS 29 20.756 -6.368 -8.601
199 HZ1 LYS 29 HZ1 LYS 29 20.033 -3.890 -9.781
200 HZ2 LYS 29 HZ2 LYS 29 19.179 -5.158 -10.504
201 HZ3 LYS 29 HZ3 LYS 29 20.870 -5.194 -10.461
202 H CYS 30 H CYS 30 15.354 -5.947 -5.032
203 HA CYS 30 HA CYS 30 15.256 -6.299 -2.127
204 HB2 CYS 30 HB2 CYS 30 13.344 -5.276 -3.540
205 HB3 CYS 30 HB3 CYS 30 13.012 -6.936 -4.025
206 H LEU 31 H LEU 31 14.933 -8.295 -1.154
207 HA LEU 31 HA LEU 31 14.885 -10.685 -2.814
208 HB2 LEU 31 HB2 LEU 31 16.790 -11.388 -0.976
209 HB3 LEU 31 HB3 LEU 31 17.086 -10.976 -2.663
210 HG LEU 31 HG LEU 31 17.082 -8.798 -0.625
211 HD11 LEU 31 HD11 LEU 31 19.683 -9.371 -0.665
212 HD12 LEU 31 HD12 LEU 31 19.042 -11.007 -0.817
213 HD13 LEU 31 HD13 LEU 31 18.587 -10.006 0.562
214 HD21 LEU 31 HD21 LEU 31 18.007 -9.261 -3.372
215 HD22 LEU 31 HD22 LEU 31 19.143 -8.385 -2.345
216 HD23 LEU 31 HD23 LEU 31 17.506 -7.769 -2.576
217 H VAL 32 H VAL 32 14.969 -12.688 -1.241
218 HA VAL 32 HA VAL 32 12.743 -12.372 0.536
219 HB VAL 32 HB VAL 32 12.906 -14.416 -0.721
220 HG11 VAL 32 HG11 VAL 32 14.858 -15.378 -1.154
221 HG12 VAL 32 HG12 VAL 32 15.660 -14.243 -0.066
222 HG13 VAL 32 HG13 VAL 32 15.050 -15.779 0.552
223 HG21 VAL 32 HG21 VAL 32 12.461 -15.979 0.982
224 HG22 VAL 32 HG22 VAL 32 13.547 -15.177 2.116
225 HG23 VAL 32 HG23 VAL 32 12.023 -14.414 1.666
226 H ARG 33 H ARG 33 12.896 -11.647 2.545
227 HA ARG 33 HA ARG 33 15.319 -11.315 3.936
228 HB2 ARG 33 HB2 ARG 33 13.122 -10.068 4.284
229 HB3 ARG 33 HB3 ARG 33 12.597 -11.459 5.223
230 HG2 ARG 33 HG2 ARG 33 14.130 -11.057 6.915
231 HG3 ARG 33 HG3 ARG 33 15.158 -10.063 5.881
232 HD2 ARG 33 HD2 ARG 33 13.897 -8.200 6.186
233 HD3 ARG 33 HD3 ARG 33 12.393 -9.110 6.322
234 HE ARG 33 HE ARG 33 14.055 -8.240 8.457
235 HH11 ARG 33 HH11 ARG 33 11.960 -10.831 7.449
236 HH12 ARG 33 HH12 ARG 33 11.539 -11.293 9.065
237 HH21 ARG 33 HH21 ARG 33 13.507 -8.838 10.588
238 HH22 ARG 33 HH22 ARG 33 12.418 -10.158 10.850
Start of MODEL 3
1 H1 ASP 1 H ASP 1 2.667 1.591 -0.029
2 HA ASP 1 HA ASP 1 1.268 -0.619 -1.220
3 HB2 ASP 1 HB2 ASP 1 1.401 1.537 -2.845
4 HB3 ASP 1 HB3 ASP 1 2.939 0.771 -3.230
5 H CYS 2 H CYS 2 2.896 -2.040 -2.466
6 HA CYS 2 HA CYS 2 5.604 -1.794 -1.379
7 HB2 CYS 2 HB2 CYS 2 5.636 -4.086 -0.607
8 HB3 CYS 2 HB3 CYS 2 4.289 -3.247 0.156
9 H GLY 3 H GLY 3 7.116 -3.387 -2.406
10 HA2 GLY 3 HA2 GLY 3 6.455 -3.585 -5.262
11 HA3 GLY 3 HA3 GLY 3 8.076 -3.580 -4.582
12 H HIS 4 H HIS 4 8.243 -5.446 -6.112
13 HA HIS 4 HA HIS 4 6.971 -7.900 -5.209
14 HB2 HIS 4 HB2 HIS 4 9.018 -7.654 -7.409
15 HB3 HIS 4 HB3 HIS 4 7.798 -8.906 -7.191
16 HD1 HIS 4 HD1 HIS 4 8.197 -7.048 -9.762
17 HD2 HIS 4 HD2 HIS 4 5.297 -6.626 -6.817
18 HE1 HIS 4 HE1 HIS 4 6.319 -5.775 -10.846
19 H LEU 5 H LEU 5 8.703 -9.861 -5.491
20 HA LEU 5 HA LEU 5 10.387 -9.617 -3.203
21 HB2 LEU 5 HB2 LEU 5 9.552 -11.744 -3.426
22 HB3 LEU 5 HB3 LEU 5 9.755 -11.753 -5.177
23 HG LEU 5 HG LEU 5 12.162 -12.082 -4.899
24 HD11 LEU 5 HD11 LEU 5 11.642 -12.377 -1.952
25 HD12 LEU 5 HD12 LEU 5 12.260 -10.894 -2.680
26 HD13 LEU 5 HD13 LEU 5 13.193 -12.387 -2.792
27 HD21 LEU 5 HD21 LEU 5 10.296 -13.955 -4.756
28 HD22 LEU 5 HD22 LEU 5 10.978 -14.165 -3.143
29 HD23 LEU 5 HD23 LEU 5 12.009 -14.331 -4.565
30 H HIS 6 H HIS 6 11.039 -10.066 -6.672
31 HA HIS 6 HA HIS 6 13.856 -9.411 -6.196
32 HB2 HIS 6 HB2 HIS 6 12.462 -10.547 -8.627
33 HB3 HIS 6 HB3 HIS 6 14.182 -10.178 -8.548
34 HD1 HIS 6 HD1 HIS 6 15.205 -11.432 -6.129
35 HD2 HIS 6 HD2 HIS 6 12.138 -13.198 -8.305
36 HE1 HIS 6 HE1 HIS 6 15.245 -13.865 -5.495
37 H ASP 7 H ASP 7 11.560 -7.479 -6.218
38 HA ASP 7 HA ASP 7 12.035 -5.878 -8.588
39 HB2 ASP 7 HB2 ASP 7 9.957 -6.098 -6.639
40 HB3 ASP 7 HB3 ASP 7 10.531 -4.433 -6.656
41 HA PRO 8 HA PRO 8 15.113 -3.209 -6.958
42 HB2 PRO 8 HB2 PRO 8 14.447 -0.848 -8.120
43 HB3 PRO 8 HB3 PRO 8 15.159 -2.193 -9.018
44 HG2 PRO 8 HG2 PRO 8 12.291 -1.357 -8.816
45 HG3 PRO 8 HG3 PRO 8 13.207 -1.875 -10.243
46 HD2 PRO 8 HD2 PRO 8 11.524 -3.528 -8.913
47 HD3 PRO 8 HD3 PRO 8 12.991 -4.111 -9.725
48 H CYS 9 H CYS 9 15.509 -1.426 -5.540
49 HA CYS 9 HA CYS 9 13.200 -0.178 -4.271
50 HB2 CYS 9 HB2 CYS 9 14.117 -0.756 -1.997
51 HB3 CYS 9 HB3 CYS 9 13.444 -2.116 -2.891
52 HA PRO 10 HA PRO 10 16.968 2.535 -4.851
53 HB2 PRO 10 HB2 PRO 10 15.686 4.463 -6.269
54 HB3 PRO 10 HB3 PRO 10 16.429 3.049 -7.025
55 HG2 PRO 10 HG2 PRO 10 13.557 3.540 -6.335
56 HG3 PRO 10 HG3 PRO 10 14.249 2.828 -7.804
57 HD2 PRO 10 HD2 PRO 10 13.175 1.325 -5.824
58 HD3 PRO 10 HD3 PRO 10 14.530 0.762 -6.822
59 H ASN 11 H ASN 11 13.605 3.216 -4.023
60 HA ASN 11 HA ASN 11 14.412 5.525 -2.424
61 HB2 ASN 11 HB2 ASN 11 11.776 4.464 -3.393
62 HB3 ASN 11 HB3 ASN 11 11.830 5.600 -2.048
63 HD21 ASN 11 HD21 ASN 11 12.397 5.141 -5.441
64 HD22 ASN 11 HD22 ASN 11 12.532 6.813 -5.852
65 H ASP 12 H ASP 12 15.174 2.830 -1.637
66 HA ASP 12 HA ASP 12 13.511 1.911 0.470
67 HB2 ASP 12 HB2 ASP 12 14.979 0.297 -0.389
68 HB3 ASP 12 HB3 ASP 12 16.361 1.387 -0.326
69 H ARG 13 H ARG 13 13.153 2.875 2.346
70 HA ARG 13 HA ARG 13 15.360 4.294 3.660
71 HB2 ARG 13 HB2 ARG 13 13.497 5.936 4.449
72 HB3 ARG 13 HB3 ARG 13 14.220 6.146 2.861
73 HG2 ARG 13 HG2 ARG 13 12.312 4.953 1.861
74 HG3 ARG 13 HG3 ARG 13 11.579 4.834 3.462
75 HD2 ARG 13 HD2 ARG 13 12.365 7.463 2.234
76 HD3 ARG 13 HD3 ARG 13 10.783 6.731 1.968
77 HE ARG 13 HE ARG 13 11.371 6.881 4.737
78 HH11 ARG 13 HH11 ARG 13 10.411 8.828 2.015
79 HH12 ARG 13 HH12 ARG 13 9.584 10.004 2.982
80 HH21 ARG 13 HH21 ARG 13 10.285 8.422 6.020
81 HH22 ARG 13 HH22 ARG 13 9.513 9.772 5.260
82 HA PRO 14 HA PRO 14 14.142 2.226 7.332
83 HB2 PRO 14 HB2 PRO 14 14.599 4.108 9.234
84 HB3 PRO 14 HB3 PRO 14 15.900 3.266 8.384
85 HG2 PRO 14 HG2 PRO 14 14.760 5.988 7.882
86 HG3 PRO 14 HG3 PRO 14 16.456 5.470 7.895
87 HD2 PRO 14 HD2 PRO 14 15.059 5.827 5.603
88 HD3 PRO 14 HD3 PRO 14 16.340 4.607 5.761
89 H GLY 15 H GLY 15 11.975 1.811 7.343
90 HA2 GLY 15 HA2 GLY 15 10.023 2.165 8.755
91 HA3 GLY 15 HA3 GLY 15 10.264 3.894 8.549
92 H HIS 16 H HIS 16 10.923 2.861 5.601
93 HA HIS 16 HA HIS 16 8.282 2.250 4.628
94 HB2 HIS 16 HB2 HIS 16 9.456 4.991 4.364
95 HB3 HIS 16 HB3 HIS 16 8.468 4.350 3.055
96 HD1 HIS 16 HD1 HIS 16 6.073 3.237 4.185
97 HD2 HIS 16 HD2 HIS 16 7.939 6.458 6.031
98 HE1 HIS 16 HE1 HIS 16 4.303 4.312 5.612
99 H ARG 17 H ARG 17 9.442 0.437 3.826
100 HA ARG 17 HA ARG 17 11.440 0.960 1.756
101 HB2 ARG 17 HB2 ARG 17 10.519 -1.692 2.874
102 HB3 ARG 17 HB3 ARG 17 11.917 -1.415 1.844
103 HG2 ARG 17 HG2 ARG 17 12.650 0.179 3.788
104 HG3 ARG 17 HG3 ARG 17 11.542 -0.816 4.734
105 HD2 ARG 17 HD2 ARG 17 13.407 -2.288 2.993
106 HD3 ARG 17 HD3 ARG 17 14.149 -1.407 4.328
107 HE ARG 17 HE ARG 17 12.537 -3.771 4.502
108 HH11 ARG 17 HH11 ARG 17 13.576 -0.908 6.189
109 HH12 ARG 17 HH12 ARG 17 13.323 -1.585 7.763
110 HH21 ARG 17 HH21 ARG 17 12.199 -4.674 6.569
111 HH22 ARG 17 HH22 ARG 17 12.540 -3.728 7.978
112 H THR 18 H THR 18 11.298 -0.290 -0.278
113 HA THR 18 HA THR 18 8.569 -0.167 -1.312
114 HB THR 18 HB THR 18 9.492 -0.089 -3.496
115 HG1 THR 18 HG1 THR 18 11.708 -1.252 -2.247
116 HG21 THR 18 HG21 THR 18 10.662 1.904 -3.429
117 HG22 THR 18 HG22 THR 18 11.601 1.427 -2.015
118 HG23 THR 18 HG23 THR 18 9.909 1.889 -1.835
119 H CYS 19 H CYS 19 9.729 -2.402 0.372
120 HA CYS 19 HA CYS 19 9.271 -4.615 -1.520
121 HB2 CYS 19 HB2 CYS 19 10.848 -4.533 1.057
122 HB3 CYS 19 HB3 CYS 19 10.465 -6.021 0.197
123 H CYS 20 H CYS 20 7.846 -6.255 -0.977
124 HA CYS 20 HA CYS 20 5.712 -5.495 0.787
125 HB2 CYS 20 HB2 CYS 20 6.007 -7.204 -1.439
126 HB3 CYS 20 HB3 CYS 20 5.519 -8.229 -0.093
127 H ILE 21 H ILE 21 4.783 -7.595 2.056
128 HA ILE 21 HA ILE 21 6.414 -7.862 4.322
129 HB ILE 21 HB ILE 21 4.006 -8.123 4.473
130 HG12 ILE 21 HG12 ILE 21 5.005 -10.851 5.174
131 HG13 ILE 21 HG13 ILE 21 5.757 -9.456 5.940
132 HG21 ILE 21 HG21 ILE 21 2.805 -9.410 3.113
133 HG22 ILE 21 HG22 ILE 21 4.291 -9.714 2.216
134 HG23 ILE 21 HG23 ILE 21 3.783 -10.829 3.484
135 HD11 ILE 21 HD11 ILE 21 3.928 -8.984 7.182
136 HD12 ILE 21 HD12 ILE 21 2.804 -9.577 5.959
137 HD13 ILE 21 HD13 ILE 21 3.674 -10.717 6.985
138 H GLY 22 H GLY 22 7.733 -9.482 5.071
139 HA2 GLY 22 HA2 GLY 22 9.065 -11.360 5.023
140 HA3 GLY 22 HA3 GLY 22 8.010 -12.006 3.776
141 H LEU 23 H LEU 23 9.666 -8.935 3.483
142 HA LEU 23 HA LEU 23 11.577 -10.145 1.609
143 HB2 LEU 23 HB2 LEU 23 9.883 -7.704 1.108
144 HB3 LEU 23 HB3 LEU 23 11.239 -8.201 0.098
145 HG LEU 23 HG LEU 23 8.691 -9.762 0.521
146 HD11 LEU 23 HD11 LEU 23 8.769 -9.204 -2.103
147 HD12 LEU 23 HD12 LEU 23 9.550 -7.758 -1.465
148 HD13 LEU 23 HD13 LEU 23 7.932 -8.200 -0.918
149 HD21 LEU 23 HD21 LEU 23 11.296 -10.425 -0.662
150 HD22 LEU 23 HD22 LEU 23 9.901 -10.806 -1.672
151 HD23 LEU 23 HD23 LEU 23 10.024 -11.480 -0.046
152 H GLN 24 H GLN 24 13.303 -8.494 0.976
153 HA GLN 24 HA GLN 24 13.830 -6.467 2.986
154 HB2 GLN 24 HB2 GLN 24 14.816 -8.297 4.123
155 HB3 GLN 24 HB3 GLN 24 15.525 -8.933 2.644
156 HG2 GLN 24 HG2 GLN 24 17.278 -7.491 2.694
157 HG3 GLN 24 HG3 GLN 24 16.359 -6.226 3.508
158 HE21 GLN 24 HE21 GLN 24 17.381 -9.564 4.168
159 HE22 GLN 24 HE22 GLN 24 17.937 -9.256 5.774
160 H CYS 25 H CYS 25 15.288 -4.896 2.322
161 HA CYS 25 HA CYS 25 15.935 -4.976 -0.537
162 HB2 CYS 25 HB2 CYS 25 14.595 -3.070 0.175
163 HB3 CYS 25 HB3 CYS 25 15.794 -2.652 1.394
164 H ARG 26 H ARG 26 17.920 -5.657 -0.988
165 HA ARG 26 HA ARG 26 20.183 -4.442 0.376
166 HB2 ARG 26 HB2 ARG 26 19.761 -7.433 0.270
167 HB3 ARG 26 HB3 ARG 26 21.276 -6.659 0.714
168 HG2 ARG 26 HG2 ARG 26 18.693 -6.188 2.178
169 HG3 ARG 26 HG3 ARG 26 19.853 -7.441 2.624
170 HD2 ARG 26 HD2 ARG 26 21.585 -5.699 2.877
171 HD3 ARG 26 HD3 ARG 26 20.370 -4.472 2.518
172 HE ARG 26 HE ARG 26 19.386 -5.962 4.631
173 HH11 ARG 26 HH11 ARG 26 22.134 -3.925 3.985
174 HH12 ARG 26 HH12 ARG 26 22.297 -3.401 5.628
175 HH21 ARG 26 HH21 ARG 26 19.590 -5.279 6.798
176 HH22 ARG 26 HH22 ARG 26 20.849 -4.173 7.228
177 H TYR 27 H TYR 27 22.089 -4.456 -0.835
178 HA TYR 27 HA TYR 27 23.369 -4.445 -2.715
179 HB2 TYR 27 HB2 TYR 27 21.690 -6.706 -3.783
180 HB3 TYR 27 HB3 TYR 27 23.385 -6.358 -4.105
181 HD1 TYR 27 HD2 TYR 27 25.096 -6.846 -2.389
182 HD2 TYR 27 HD1 TYR 27 21.022 -7.949 -1.849
183 HE1 TYR 27 HE2 TYR 27 25.758 -8.388 -0.592
184 HE2 TYR 27 HE1 TYR 27 21.673 -9.494 -0.049
185 HH TYR 27 HH TYR 27 23.442 -10.564 0.909
186 H GLY 28 H GLY 28 21.055 -2.775 -2.578
187 HA2 GLY 28 HA2 GLY 28 19.933 -1.304 -3.939
188 HA3 GLY 28 HA3 GLY 28 20.945 -1.878 -5.256
189 H LYS 29 H LYS 29 19.252 -4.369 -3.711
190 HA LYS 29 HA LYS 29 16.939 -4.168 -5.482
191 HB2 LYS 29 HB2 LYS 29 19.170 -6.007 -5.853
192 HB3 LYS 29 HB3 LYS 29 17.633 -6.847 -5.696
193 HG2 LYS 29 HG2 LYS 29 16.749 -5.853 -7.597
194 HG3 LYS 29 HG3 LYS 29 17.921 -4.533 -7.570
195 HD2 LYS 29 HD2 LYS 29 18.734 -7.393 -8.018
196 HD3 LYS 29 HD3 LYS 29 18.246 -6.334 -9.343
197 HE2 LYS 29 HE2 LYS 29 20.220 -5.154 -7.533
198 HE3 LYS 29 HE3 LYS 29 20.791 -6.593 -8.376
199 HZ1 LYS 29 HZ1 LYS 29 19.417 -4.498 -9.907
200 HZ2 LYS 29 HZ2 LYS 29 20.611 -5.586 -10.408
201 HZ3 LYS 29 HZ3 LYS 29 21.029 -4.253 -9.454
202 H CYS 30 H CYS 30 15.344 -5.958 -5.014
203 HA CYS 30 HA CYS 30 15.201 -6.320 -2.113
204 HB2 CYS 30 HB2 CYS 30 13.320 -5.274 -3.549
205 HB3 CYS 30 HB3 CYS 30 12.979 -6.929 -4.047
206 H LEU 31 H LEU 31 14.857 -8.315 -1.150
207 HA LEU 31 HA LEU 31 14.804 -10.700 -2.818
208 HB2 LEU 31 HB2 LEU 31 16.681 -11.427 -0.962
209 HB3 LEU 31 HB3 LEU 31 17.002 -11.009 -2.644
210 HG LEU 31 HG LEU 31 16.991 -8.840 -0.597
211 HD11 LEU 31 HD11 LEU 31 18.434 -10.157 0.593
212 HD12 LEU 31 HD12 LEU 31 19.558 -9.385 -0.524
213 HD13 LEU 31 HD13 LEU 31 18.996 -11.027 -0.835
214 HD21 LEU 31 HD21 LEU 31 17.958 -9.306 -3.330
215 HD22 LEU 31 HD22 LEU 31 19.077 -8.433 -2.282
216 HD23 LEU 31 HD23 LEU 31 17.445 -7.813 -2.543
217 H VAL 32 H VAL 32 14.853 -12.707 -1.250
218 HA VAL 32 HA VAL 32 12.607 -12.380 0.499
219 HB VAL 32 HB VAL 32 12.777 -14.425 -0.756
220 HG11 VAL 32 HG11 VAL 32 14.728 -15.400 -1.162
221 HG12 VAL 32 HG12 VAL 32 15.522 -14.266 -0.067
222 HG13 VAL 32 HG13 VAL 32 14.897 -15.798 0.547
223 HG21 VAL 32 HG21 VAL 32 12.067 -14.319 1.805
224 HG22 VAL 32 HG22 VAL 32 12.056 -15.825 0.888
225 HG23 VAL 32 HG23 VAL 32 13.411 -15.451 1.953
226 H ARG 33 H ARG 33 12.737 -11.658 2.511
227 HA ARG 33 HA ARG 33 15.117 -11.290 3.938
228 HB2 ARG 33 HB2 ARG 33 13.174 -9.976 4.471
229 HB3 ARG 33 HB3 ARG 33 12.251 -11.417 4.879
230 HG2 ARG 33 HG2 ARG 33 12.895 -10.315 6.900
231 HG3 ARG 33 HG3 ARG 33 13.807 -11.820 6.765
232 HD2 ARG 33 HD2 ARG 33 15.759 -10.628 6.018
233 HD3 ARG 33 HD3 ARG 33 14.857 -9.115 5.950
234 HE ARG 33 HE ARG 33 15.121 -8.890 8.216
235 HH11 ARG 33 HH11 ARG 33 15.924 -12.145 7.278
236 HH12 ARG 33 HH12 ARG 33 16.558 -12.576 8.833
237 HH21 ARG 33 HH21 ARG 33 15.952 -9.445 10.267
238 HH22 ARG 33 HH22 ARG 33 16.572 -11.039 10.532
Start of MODEL 4
1 H1 ASP 1 H ASP 1 2.235 0.082 -3.415
2 HA ASP 1 HA ASP 1 2.220 1.090 -1.122
3 HB2 ASP 1 HB2 ASP 1 0.102 -0.201 -0.590
4 HB3 ASP 1 HB3 ASP 1 1.123 -1.617 -0.354
5 H CYS 2 H CYS 2 2.968 -2.083 -2.403
6 HA CYS 2 HA CYS 2 5.672 -1.833 -1.304
7 HB2 CYS 2 HB2 CYS 2 5.723 -4.145 -0.595
8 HB3 CYS 2 HB3 CYS 2 4.367 -3.338 0.186
9 H GLY 3 H GLY 3 7.205 -3.384 -2.365
10 HA2 GLY 3 HA2 GLY 3 6.566 -3.504 -5.229
11 HA3 GLY 3 HA3 GLY 3 8.181 -3.515 -4.536
12 H HIS 4 H HIS 4 8.352 -5.334 -6.129
13 HA HIS 4 HA HIS 4 7.088 -7.818 -5.299
14 HB2 HIS 4 HB2 HIS 4 9.134 -7.501 -7.490
15 HB3 HIS 4 HB3 HIS 4 7.918 -8.762 -7.310
16 HD1 HIS 4 HD1 HIS 4 8.312 -6.828 -9.825
17 HD2 HIS 4 HD2 HIS 4 5.412 -6.499 -6.869
18 HE1 HIS 4 HE1 HIS 4 6.431 -5.528 -10.871
19 H LEU 5 H LEU 5 8.829 -9.764 -5.643
20 HA LEU 5 HA LEU 5 10.510 -9.585 -3.346
21 HB2 LEU 5 HB2 LEU 5 9.683 -11.706 -3.640
22 HB3 LEU 5 HB3 LEU 5 9.891 -11.660 -5.389
23 HG LEU 5 HG LEU 5 12.299 -11.988 -5.115
24 HD11 LEU 5 HD11 LEU 5 12.392 -10.868 -2.864
25 HD12 LEU 5 HD12 LEU 5 13.324 -12.358 -3.012
26 HD13 LEU 5 HD13 LEU 5 11.770 -12.369 -2.178
27 HD21 LEU 5 HD21 LEU 5 10.702 -13.910 -5.284
28 HD22 LEU 5 HD22 LEU 5 10.779 -14.049 -3.527
29 HD23 LEU 5 HD23 LEU 5 12.234 -14.289 -4.496
30 H HIS 6 H HIS 6 11.170 -9.926 -6.828
31 HA HIS 6 HA HIS 6 13.982 -9.271 -6.327
32 HB2 HIS 6 HB2 HIS 6 12.596 -10.338 -8.794
33 HB3 HIS 6 HB3 HIS 6 14.314 -9.963 -8.702
34 HD1 HIS 6 HD1 HIS 6 15.342 -11.286 -6.323
35 HD2 HIS 6 HD2 HIS 6 12.284 -12.999 -8.553
36 HE1 HIS 6 HE1 HIS 6 15.394 -13.737 -5.763
37 H ASP 7 H ASP 7 11.677 -7.350 -6.293
38 HA ASP 7 HA ASP 7 12.148 -5.674 -8.612
39 HB2 ASP 7 HB2 ASP 7 10.067 -5.965 -6.675
40 HB3 ASP 7 HB3 ASP 7 10.632 -4.297 -6.640
41 HA PRO 8 HA PRO 8 15.209 -3.042 -6.894
42 HB2 PRO 8 HB2 PRO 8 14.534 -0.649 -7.984
43 HB3 PRO 8 HB3 PRO 8 15.254 -1.963 -8.922
44 HG2 PRO 8 HG2 PRO 8 12.382 -1.147 -8.700
45 HG3 PRO 8 HG3 PRO 8 13.304 -1.617 -10.140
46 HD2 PRO 8 HD2 PRO 8 11.626 -3.318 -8.865
47 HD3 PRO 8 HD3 PRO 8 13.097 -3.868 -9.692
48 H CYS 9 H CYS 9 15.591 -1.282 -5.434
49 HA CYS 9 HA CYS 9 13.274 -0.090 -4.128
50 HB2 CYS 9 HB2 CYS 9 14.187 -0.733 -1.871
51 HB3 CYS 9 HB3 CYS 9 13.523 -2.068 -2.806
52 HA PRO 10 HA PRO 10 17.032 2.654 -4.617
53 HB2 PRO 10 HB2 PRO 10 15.747 4.618 -5.980
54 HB3 PRO 10 HB3 PRO 10 16.497 3.230 -6.776
55 HG2 PRO 10 HG2 PRO 10 13.622 3.688 -6.080
56 HG3 PRO 10 HG3 PRO 10 14.321 3.023 -7.568
57 HD2 PRO 10 HD2 PRO 10 13.247 1.458 -5.637
58 HD3 PRO 10 HD3 PRO 10 14.608 0.930 -6.647
59 H ASN 11 H ASN 11 13.664 3.296 -3.778
60 HA ASN 11 HA ASN 11 14.456 5.560 -2.110
61 HB2 ASN 11 HB2 ASN 11 11.824 4.512 -3.108
62 HB3 ASN 11 HB3 ASN 11 11.877 5.620 -1.739
63 HD21 ASN 11 HD21 ASN 11 13.369 5.309 -4.947
64 HD22 ASN 11 HD22 ASN 11 13.140 6.961 -5.398
65 H ASP 12 H ASP 12 15.231 2.847 -1.401
66 HA ASP 12 HA ASP 12 13.566 1.859 0.675
67 HB2 ASP 12 HB2 ASP 12 15.042 0.277 -0.228
68 HB3 ASP 12 HB3 ASP 12 16.420 1.370 -0.131
69 H ARG 13 H ARG 13 13.202 2.767 2.578
70 HA ARG 13 HA ARG 13 15.402 4.155 3.937
71 HB2 ARG 13 HB2 ARG 13 13.530 5.765 4.771
72 HB3 ARG 13 HB3 ARG 13 14.256 6.025 3.191
73 HG2 ARG 13 HG2 ARG 13 12.354 4.855 2.153
74 HG3 ARG 13 HG3 ARG 13 11.619 4.685 3.748
75 HD2 ARG 13 HD2 ARG 13 10.792 6.746 3.649
76 HD3 ARG 13 HD3 ARG 13 12.383 7.416 3.289
77 HE ARG 13 HE ARG 13 11.202 6.204 0.998
78 HH11 ARG 13 HH11 ARG 13 11.168 9.070 2.973
79 HH12 ARG 13 HH12 ARG 13 10.615 10.102 1.695
80 HH21 ARG 13 HH21 ARG 13 10.475 7.551 -0.692
81 HH22 ARG 13 HH22 ARG 13 10.221 9.237 -0.389
82 HA PRO 14 HA PRO 14 14.188 1.975 7.544
83 HB2 PRO 14 HB2 PRO 14 14.633 3.802 9.502
84 HB3 PRO 14 HB3 PRO 14 15.939 2.991 8.629
85 HG2 PRO 14 HG2 PRO 14 14.789 5.722 8.206
86 HG3 PRO 14 HG3 PRO 14 16.487 5.211 8.206
87 HD2 PRO 14 HD2 PRO 14 15.091 5.629 5.923
88 HD3 PRO 14 HD3 PRO 14 16.377 4.411 6.047
89 H GLY 15 H GLY 15 12.022 1.551 7.541
90 HA2 GLY 15 HA2 GLY 15 10.067 1.855 8.959
91 HA3 GLY 15 HA3 GLY 15 10.301 3.589 8.804
92 H HIS 16 H HIS 16 10.968 2.647 5.828
93 HA HIS 16 HA HIS 16 8.331 2.052 4.833
94 HB2 HIS 16 HB2 HIS 16 9.493 4.806 4.654
95 HB3 HIS 16 HB3 HIS 16 8.511 4.199 3.323
96 HD1 HIS 16 HD1 HIS 16 6.150 2.974 4.498
97 HD2 HIS 16 HD2 HIS 16 7.931 6.281 6.273
98 HE1 HIS 16 HE1 HIS 16 4.362 4.014 5.928
99 H ARG 17 H ARG 17 9.502 0.270 3.980
100 HA ARG 17 HA ARG 17 11.500 0.863 1.930
101 HB2 ARG 17 HB2 ARG 17 10.590 -1.808 3.016
102 HB3 ARG 17 HB3 ARG 17 11.948 -1.537 1.932
103 HG2 ARG 17 HG2 ARG 17 12.797 0.020 3.844
104 HG3 ARG 17 HG3 ARG 17 11.694 -0.934 4.838
105 HD2 ARG 17 HD2 ARG 17 13.259 -2.642 3.127
106 HD3 ARG 17 HD3 ARG 17 14.307 -1.589 4.078
107 HE ARG 17 HE ARG 17 12.779 -3.794 5.034
108 HH11 ARG 17 HH11 ARG 17 14.004 -0.656 5.911
109 HH12 ARG 17 HH12 ARG 17 14.037 -0.999 7.609
110 HH21 ARG 17 HH21 ARG 17 12.818 -4.258 7.267
111 HH22 ARG 17 HH22 ARG 17 13.362 -3.048 8.379
112 H THR 18 H THR 18 11.366 -0.328 -0.140
113 HA THR 18 HA THR 18 8.638 -0.189 -1.174
114 HB THR 18 HB THR 18 9.562 -0.041 -3.353
115 HG1 THR 18 HG1 THR 18 11.302 -1.144 -3.799
116 HG21 THR 18 HG21 THR 18 11.663 1.441 -1.827
117 HG22 THR 18 HG22 THR 18 9.968 1.889 -1.632
118 HG23 THR 18 HG23 THR 18 10.720 1.954 -3.226
119 H CYS 19 H CYS 19 9.801 -2.466 0.446
120 HA CYS 19 HA CYS 19 9.361 -4.625 -1.511
121 HB2 CYS 19 HB2 CYS 19 10.932 -4.609 1.070
122 HB3 CYS 19 HB3 CYS 19 10.557 -6.075 0.170
123 H CYS 20 H CYS 20 7.948 -6.292 -1.017
124 HA CYS 20 HA CYS 20 5.800 -5.594 0.755
125 HB2 CYS 20 HB2 CYS 20 6.122 -7.249 -1.509
126 HB3 CYS 20 HB3 CYS 20 5.631 -8.307 -0.190
127 H ILE 21 H ILE 21 4.888 -7.773 1.938
128 HA ILE 21 HA ILE 21 6.503 -8.067 4.219
129 HB ILE 21 HB ILE 21 4.090 -8.364 4.327
130 HG12 ILE 21 HG12 ILE 21 5.262 -11.050 4.999
131 HG13 ILE 21 HG13 ILE 21 5.766 -9.606 5.870
132 HG21 ILE 21 HG21 ILE 21 2.912 -9.712 2.992
133 HG22 ILE 21 HG22 ILE 21 4.388 -9.853 2.038
134 HG23 ILE 21 HG23 ILE 21 4.005 -11.071 3.255
135 HD11 ILE 21 HD11 ILE 21 2.898 -9.763 5.726
136 HD12 ILE 21 HD12 ILE 21 3.584 -11.231 6.423
137 HD13 ILE 21 HD13 ILE 21 3.954 -9.660 7.135
138 H GLY 22 H GLY 22 7.819 -9.707 4.946
139 HA2 GLY 22 HA2 GLY 22 9.189 -11.554 4.852
140 HA3 GLY 22 HA3 GLY 22 8.145 -12.187 3.587
141 H LEU 23 H LEU 23 9.765 -9.089 3.372
142 HA LEU 23 HA LEU 23 11.687 -10.231 1.465
143 HB2 LEU 23 HB2 LEU 23 9.964 -7.796 1.040
144 HB3 LEU 23 HB3 LEU 23 11.336 -8.230 0.023
145 HG LEU 23 HG LEU 23 8.811 -9.847 0.367
146 HD11 LEU 23 HD11 LEU 23 9.670 -7.777 -1.554
147 HD12 LEU 23 HD12 LEU 23 8.053 -8.237 -1.023
148 HD13 LEU 23 HD13 LEU 23 8.894 -9.209 -2.231
149 HD21 LEU 23 HD21 LEU 23 9.767 -11.123 -1.573
150 HD22 LEU 23 HD22 LEU 23 10.610 -11.347 -0.039
151 HD23 LEU 23 HD23 LEU 23 11.295 -10.292 -1.276
152 H GLN 24 H GLN 24 13.404 -8.555 0.884
153 HA GLN 24 HA GLN 24 13.920 -6.584 2.950
154 HB2 GLN 24 HB2 GLN 24 14.910 -8.444 4.035
155 HB3 GLN 24 HB3 GLN 24 15.630 -9.029 2.541
156 HG2 GLN 24 HG2 GLN 24 17.375 -7.584 2.646
157 HG3 GLN 24 HG3 GLN 24 16.443 -6.344 3.483
158 HE21 GLN 24 HE21 GLN 24 17.554 -9.671 4.042
159 HE22 GLN 24 HE22 GLN 24 18.067 -9.406 5.671
160 H CYS 25 H CYS 25 15.370 -4.988 2.332
161 HA CYS 25 HA CYS 25 16.022 -4.985 -0.527
162 HB2 CYS 25 HB2 CYS 25 14.671 -3.107 0.234
163 HB3 CYS 25 HB3 CYS 25 15.865 -2.717 1.468
164 H ARG 26 H ARG 26 18.011 -5.643 -0.993
165 HA ARG 26 HA ARG 26 20.266 -4.456 0.406
166 HB2 ARG 26 HB2 ARG 26 19.861 -7.445 0.218
167 HB3 ARG 26 HB3 ARG 26 21.369 -6.674 0.689
168 HG2 ARG 26 HG2 ARG 26 18.778 -6.261 2.156
169 HG3 ARG 26 HG3 ARG 26 19.947 -7.517 2.572
170 HD2 ARG 26 HD2 ARG 26 21.519 -5.999 3.305
171 HD3 ARG 26 HD3 ARG 26 20.866 -4.691 2.319
172 HE ARG 26 HE ARG 26 19.047 -5.532 4.355
173 HH11 ARG 26 HH11 ARG 26 21.854 -3.573 3.718
174 HH12 ARG 26 HH12 ARG 26 21.555 -2.486 5.033
175 HH21 ARG 26 HH21 ARG 26 18.642 -4.107 6.089
176 HH22 ARG 26 HH22 ARG 26 19.728 -2.791 6.382
177 H TYR 27 H TYR 27 22.175 -4.429 -0.800
178 HA TYR 27 HA TYR 27 23.458 -4.361 -2.677
179 HB2 TYR 27 HB2 TYR 27 21.789 -6.599 -3.809
180 HB3 TYR 27 HB3 TYR 27 23.483 -6.235 -4.119
181 HD1 TYR 27 HD2 TYR 27 25.194 -6.762 -2.414
182 HD2 TYR 27 HD1 TYR 27 21.125 -7.898 -1.912
183 HE1 TYR 27 HE2 TYR 27 25.860 -8.350 -0.657
184 HE2 TYR 27 HE1 TYR 27 21.779 -9.489 -0.153
185 HH TYR 27 HH TYR 27 24.665 -9.429 1.396
186 H GLY 28 H GLY 28 21.136 -2.705 -2.499
187 HA2 GLY 28 HA2 GLY 28 20.010 -1.202 -3.821
188 HA3 GLY 28 HA3 GLY 28 21.027 -1.736 -5.151
189 H LYS 29 H LYS 29 19.342 -4.276 -3.678
190 HA LYS 29 HA LYS 29 17.031 -4.036 -5.446
191 HB2 LYS 29 HB2 LYS 29 19.270 -5.854 -5.865
192 HB3 LYS 29 HB3 LYS 29 17.737 -6.705 -5.731
193 HG2 LYS 29 HG2 LYS 29 16.827 -5.581 -7.581
194 HG3 LYS 29 HG3 LYS 29 18.100 -4.359 -7.566
195 HD2 LYS 29 HD2 LYS 29 18.483 -5.910 -9.381
196 HD3 LYS 29 HD3 LYS 29 19.741 -6.108 -8.159
197 HE2 LYS 29 HE2 LYS 29 19.255 -8.275 -8.097
198 HE3 LYS 29 HE3 LYS 29 17.681 -7.856 -7.422
199 HZ1 LYS 29 HZ1 LYS 29 18.222 -7.942 -10.335
200 HZ2 LYS 29 HZ2 LYS 29 16.719 -7.840 -9.567
201 HZ3 LYS 29 HZ3 LYS 29 17.625 -9.265 -9.466
202 H CYS 30 H CYS 30 15.445 -5.849 -5.032
203 HA CYS 30 HA CYS 30 15.297 -6.288 -2.141
204 HB2 CYS 30 HB2 CYS 30 13.414 -5.214 -3.553
205 HB3 CYS 30 HB3 CYS 30 13.082 -6.856 -4.094
206 H LEU 31 H LEU 31 14.948 -8.311 -1.234
207 HA LEU 31 HA LEU 31 14.919 -10.650 -2.967
208 HB2 LEU 31 HB2 LEU 31 16.788 -11.418 -1.118
209 HB3 LEU 31 HB3 LEU 31 17.116 -10.956 -2.787
210 HG LEU 31 HG LEU 31 17.085 -8.840 -0.684
211 HD11 LEU 31 HD11 LEU 31 18.663 -11.110 -0.390
212 HD12 LEU 31 HD12 LEU 31 18.895 -9.546 0.392
213 HD13 LEU 31 HD13 LEU 31 19.731 -9.910 -1.118
214 HD21 LEU 31 HD21 LEU 31 19.176 -8.385 -2.355
215 HD22 LEU 31 HD22 LEU 31 17.547 -7.755 -2.595
216 HD23 LEU 31 HD23 LEU 31 18.056 -9.225 -3.427
217 H VAL 32 H VAL 32 14.967 -12.699 -1.454
218 HA VAL 32 HA VAL 32 12.711 -12.427 0.294
219 HB VAL 32 HB VAL 32 12.886 -14.432 -1.023
220 HG11 VAL 32 HG11 VAL 32 15.624 -14.284 -0.354
221 HG12 VAL 32 HG12 VAL 32 15.019 -15.821 0.267
222 HG13 VAL 32 HG13 VAL 32 14.828 -15.421 -1.441
223 HG21 VAL 32 HG21 VAL 32 13.509 -15.611 1.607
224 HG22 VAL 32 HG22 VAL 32 12.236 -14.390 1.592
225 HG23 VAL 32 HG23 VAL 32 12.096 -15.823 0.573
226 H ARG 33 H ARG 33 12.834 -11.765 2.327
227 HA ARG 33 HA ARG 33 15.250 -11.521 3.766
228 HB2 ARG 33 HB2 ARG 33 13.444 -10.044 4.290
229 HB3 ARG 33 HB3 ARG 33 12.363 -11.389 4.631
230 HG2 ARG 33 HG2 ARG 33 13.201 -11.720 6.710
231 HG3 ARG 33 HG3 ARG 33 14.826 -11.199 6.258
232 HD2 ARG 33 HD2 ARG 33 14.302 -8.946 6.490
233 HD3 ARG 33 HD3 ARG 33 12.568 -9.236 6.347
234 HE ARG 33 HE ARG 33 13.354 -10.537 8.640
235 HH11 ARG 33 HH11 ARG 33 13.427 -7.270 7.440
236 HH12 ARG 33 HH12 ARG 33 13.302 -6.552 9.012
237 HH21 ARG 33 HH21 ARG 33 13.189 -9.604 10.714
238 HH22 ARG 33 HH22 ARG 33 13.167 -7.880 10.874
Start of MODEL 5
1 H1 ASP 1 H ASP 1 0.446 -1.228 -0.771
2 HA ASP 1 HA ASP 1 2.160 0.768 -1.948
3 HB2 ASP 1 HB2 ASP 1 0.640 0.730 0.303
4 HB3 ASP 1 HB3 ASP 1 2.229 0.386 0.980
5 H CYS 2 H CYS 2 2.925 -2.037 -2.270
6 HA CYS 2 HA CYS 2 5.640 -1.815 -1.199
7 HB2 CYS 2 HB2 CYS 2 5.684 -4.122 -0.475
8 HB3 CYS 2 HB3 CYS 2 4.343 -3.302 0.318
9 H GLY 3 H GLY 3 7.144 -3.383 -2.276
10 HA2 GLY 3 HA2 GLY 3 6.453 -3.522 -5.128
11 HA3 GLY 3 HA3 GLY 3 8.081 -3.527 -4.465
12 H HIS 4 H HIS 4 8.237 -5.360 -6.035
13 HA HIS 4 HA HIS 4 6.979 -7.836 -5.172
14 HB2 HIS 4 HB2 HIS 4 9.005 -7.538 -7.385
15 HB3 HIS 4 HB3 HIS 4 7.792 -8.798 -7.182
16 HD1 HIS 4 HD1 HIS 4 8.159 -6.890 -9.719
17 HD2 HIS 4 HD2 HIS 4 5.290 -6.529 -6.735
18 HE1 HIS 4 HE1 HIS 4 6.267 -5.599 -10.758
19 H LEU 5 H LEU 5 8.713 -9.787 -5.511
20 HA LEU 5 HA LEU 5 10.416 -9.587 -3.233
21 HB2 LEU 5 HB2 LEU 5 9.583 -11.710 -3.495
22 HB3 LEU 5 HB3 LEU 5 9.771 -11.682 -5.247
23 HG LEU 5 HG LEU 5 12.182 -12.012 -4.996
24 HD11 LEU 5 HD11 LEU 5 13.230 -12.359 -2.903
25 HD12 LEU 5 HD12 LEU 5 11.687 -12.369 -2.051
26 HD13 LEU 5 HD13 LEU 5 12.296 -10.871 -2.753
27 HD21 LEU 5 HD21 LEU 5 11.011 -14.132 -3.275
28 HD22 LEU 5 HD22 LEU 5 12.039 -14.269 -4.701
29 HD23 LEU 5 HD23 LEU 5 10.325 -13.892 -4.883
30 H HIS 6 H HIS 6 11.038 -9.958 -6.718
31 HA HIS 6 HA HIS 6 13.857 -9.307 -6.253
32 HB2 HIS 6 HB2 HIS 6 12.444 -10.398 -8.694
33 HB3 HIS 6 HB3 HIS 6 14.163 -10.025 -8.624
34 HD1 HIS 6 HD1 HIS 6 15.212 -11.324 -6.239
35 HD2 HIS 6 HD2 HIS 6 12.133 -13.056 -8.424
36 HE1 HIS 6 HE1 HIS 6 15.267 -13.769 -5.655
37 H ASP 7 H ASP 7 11.557 -7.382 -6.215
38 HA ASP 7 HA ASP 7 12.007 -5.731 -8.556
39 HB2 ASP 7 HB2 ASP 7 9.947 -5.996 -6.591
40 HB3 ASP 7 HB3 ASP 7 10.516 -4.329 -6.583
41 HA PRO 8 HA PRO 8 15.090 -3.085 -6.899
42 HB2 PRO 8 HB2 PRO 8 14.404 -0.701 -8.002
43 HB3 PRO 8 HB3 PRO 8 15.111 -2.024 -8.937
44 HG2 PRO 8 HG2 PRO 8 12.243 -1.203 -8.686
45 HG3 PRO 8 HG3 PRO 8 13.146 -1.686 -10.134
46 HD2 PRO 8 HD2 PRO 8 11.482 -3.374 -8.823
47 HD3 PRO 8 HD3 PRO 8 12.943 -3.934 -9.663
48 H CYS 9 H CYS 9 15.496 -1.344 -5.438
49 HA CYS 9 HA CYS 9 13.195 -0.129 -4.120
50 HB2 CYS 9 HB2 CYS 9 14.140 -0.755 -1.870
51 HB3 CYS 9 HB3 CYS 9 13.463 -2.097 -2.787
52 HA PRO 10 HA PRO 10 16.944 2.613 -4.680
53 HB2 PRO 10 HB2 PRO 10 15.637 4.568 -6.039
54 HB3 PRO 10 HB3 PRO 10 16.377 3.174 -6.835
55 HG2 PRO 10 HG2 PRO 10 13.512 3.636 -6.101
56 HG3 PRO 10 HG3 PRO 10 14.190 2.961 -7.595
57 HD2 PRO 10 HD2 PRO 10 13.145 1.409 -5.637
58 HD3 PRO 10 HD3 PRO 10 14.492 0.874 -6.663
59 H ASN 11 H ASN 11 13.587 3.261 -3.799
60 HA ASN 11 HA ASN 11 14.404 5.535 -2.156
61 HB2 ASN 11 HB2 ASN 11 11.734 4.469 -3.051
62 HB3 ASN 11 HB3 ASN 11 11.858 5.663 -1.762
63 HD21 ASN 11 HD21 ASN 11 11.100 5.438 -4.828
64 HD22 ASN 11 HD22 ASN 11 11.705 6.934 -5.445
65 H ASP 12 H ASP 12 15.184 2.825 -1.440
66 HA ASP 12 HA ASP 12 13.545 1.851 0.661
67 HB2 ASP 12 HB2 ASP 12 15.010 0.263 -0.250
68 HB3 ASP 12 HB3 ASP 12 16.389 1.356 -0.176
69 H ARG 13 H ARG 13 13.203 2.769 2.563
70 HA ARG 13 HA ARG 13 15.420 4.153 3.896
71 HB2 ARG 13 HB2 ARG 13 13.566 5.790 4.724
72 HB3 ARG 13 HB3 ARG 13 14.296 6.032 3.142
73 HG2 ARG 13 HG2 ARG 13 12.382 4.882 2.109
74 HG3 ARG 13 HG3 ARG 13 11.644 4.721 3.704
75 HD2 ARG 13 HD2 ARG 13 11.118 6.935 3.835
76 HD3 ARG 13 HD3 ARG 13 12.496 7.431 2.853
77 HE ARG 13 HE ARG 13 10.901 6.125 1.093
78 HH11 ARG 13 HH11 ARG 13 10.381 8.732 3.341
79 HH12 ARG 13 HH12 ARG 13 9.147 9.483 2.386
80 HH21 ARG 13 HH21 ARG 13 9.277 7.105 -0.174
81 HH22 ARG 13 HH22 ARG 13 8.519 8.556 0.387
82 HA PRO 14 HA PRO 14 14.194 2.018 7.526
83 HB2 PRO 14 HB2 PRO 14 14.669 3.857 9.467
84 HB3 PRO 14 HB3 PRO 14 15.962 3.023 8.596
85 HG2 PRO 14 HG2 PRO 14 14.842 5.764 8.153
86 HG3 PRO 14 HG3 PRO 14 16.534 5.232 8.152
87 HD2 PRO 14 HD2 PRO 14 15.135 5.647 5.871
88 HD3 PRO 14 HD3 PRO 14 16.407 4.415 6.000
89 H GLY 15 H GLY 15 12.026 1.617 7.546
90 HA2 GLY 15 HA2 GLY 15 10.082 1.961 8.971
91 HA3 GLY 15 HA3 GLY 15 10.332 3.691 8.788
92 H HIS 16 H HIS 16 10.974 2.711 5.824
93 HA HIS 16 HA HIS 16 8.331 2.114 4.849
94 HB2 HIS 16 HB2 HIS 16 8.572 4.698 5.301
95 HB3 HIS 16 HB3 HIS 16 9.469 4.670 3.786
96 HD1 HIS 16 HD1 HIS 16 6.322 2.718 4.602
97 HD2 HIS 16 HD2 HIS 16 7.638 5.748 2.083
98 HE1 HIS 16 HE1 HIS 16 4.401 3.181 3.047
99 H ARG 17 H ARG 17 9.492 0.321 4.007
100 HA ARG 17 HA ARG 17 11.481 0.889 1.940
101 HB2 ARG 17 HB2 ARG 17 10.571 -1.794 2.991
102 HB3 ARG 17 HB3 ARG 17 11.978 -1.475 1.986
103 HG2 ARG 17 HG2 ARG 17 12.941 -0.137 3.830
104 HG3 ARG 17 HG3 ARG 17 11.563 -0.594 4.833
105 HD2 ARG 17 HD2 ARG 17 12.323 -2.699 5.150
106 HD3 ARG 17 HD3 ARG 17 12.987 -2.815 3.520
107 HE ARG 17 HE ARG 17 14.620 -1.045 4.818
108 HH11 ARG 17 HH11 ARG 17 13.588 -4.325 5.360
109 HH12 ARG 17 HH12 ARG 17 15.051 -4.790 6.164
110 HH21 ARG 17 HH21 ARG 17 16.550 -1.645 5.874
111 HH22 ARG 17 HH22 ARG 17 16.735 -3.265 6.456
112 H THR 18 H THR 18 11.333 -0.320 -0.118
113 HA THR 18 HA THR 18 8.600 -0.182 -1.139
114 HB THR 18 HB THR 18 9.515 -0.063 -3.325
115 HG1 THR 18 HG1 THR 18 11.746 -1.230 -2.102
116 HG21 THR 18 HG21 THR 18 10.670 1.935 -3.225
117 HG22 THR 18 HG22 THR 18 11.624 1.435 -1.828
118 HG23 THR 18 HG23 THR 18 9.931 1.884 -1.625
119 H CYS 19 H CYS 19 9.782 -2.449 0.494
120 HA CYS 19 HA CYS 19 9.311 -4.624 -1.437
121 HB2 CYS 19 HB2 CYS 19 10.916 -4.589 1.123
122 HB3 CYS 19 HB3 CYS 19 10.526 -6.062 0.241
123 H CYS 20 H CYS 20 7.894 -6.277 -0.915
124 HA CYS 20 HA CYS 20 5.778 -5.560 0.887
125 HB2 CYS 20 HB2 CYS 20 6.053 -7.221 -1.377
126 HB3 CYS 20 HB3 CYS 20 5.582 -8.276 -0.048
127 H ILE 21 H ILE 21 4.867 -7.695 2.116
128 HA ILE 21 HA ILE 21 6.521 -8.003 4.361
129 HB ILE 21 HB ILE 21 4.111 -8.276 4.520
130 HG12 ILE 21 HG12 ILE 21 5.247 -10.980 5.172
131 HG13 ILE 21 HG13 ILE 21 5.813 -9.546 6.022
132 HG21 ILE 21 HG21 ILE 21 4.360 -9.789 2.231
133 HG22 ILE 21 HG22 ILE 21 3.953 -10.979 3.466
134 HG23 ILE 21 HG23 ILE 21 2.895 -9.594 3.194
135 HD11 ILE 21 HD11 ILE 21 4.056 -10.736 7.242
136 HD12 ILE 21 HD12 ILE 21 3.573 -9.096 6.808
137 HD13 ILE 21 HD13 ILE 21 2.952 -10.469 5.892
138 H GLY 22 H GLY 22 7.845 -9.641 5.068
139 HA2 GLY 22 HA2 GLY 22 9.185 -11.511 4.965
140 HA3 GLY 22 HA3 GLY 22 8.120 -12.133 3.714
141 H LEU 23 H LEU 23 9.761 -9.050 3.468
142 HA LEU 23 HA LEU 23 11.657 -10.213 1.550
143 HB2 LEU 23 HB2 LEU 23 9.956 -7.763 1.122
144 HB3 LEU 23 HB3 LEU 23 11.300 -8.238 0.087
145 HG LEU 23 HG LEU 23 8.758 -9.810 0.504
146 HD11 LEU 23 HD11 LEU 23 7.979 -8.223 -0.894
147 HD12 LEU 23 HD12 LEU 23 8.812 -9.191 -2.110
148 HD13 LEU 23 HD13 LEU 23 9.589 -7.757 -1.441
149 HD21 LEU 23 HD21 LEU 23 10.087 -11.512 -0.114
150 HD22 LEU 23 HD22 LEU 23 11.349 -10.443 -0.726
151 HD23 LEU 23 HD23 LEU 23 9.939 -10.805 -1.723
152 H GLN 24 H GLN 24 13.375 -8.547 0.939
153 HA GLN 24 HA GLN 24 13.919 -6.564 2.988
154 HB2 GLN 24 HB2 GLN 24 14.917 -8.416 4.077
155 HB3 GLN 24 HB3 GLN 24 15.611 -9.022 2.579
156 HG2 GLN 24 HG2 GLN 24 17.365 -7.581 2.641
157 HG3 GLN 24 HG3 GLN 24 16.454 -6.333 3.489
158 HE21 GLN 24 HE21 GLN 24 17.539 -9.668 4.050
159 HE22 GLN 24 HE22 GLN 24 18.088 -9.397 5.665
160 H CYS 25 H CYS 25 15.365 -4.976 2.344
161 HA CYS 25 HA CYS 25 15.987 -4.993 -0.522
162 HB2 CYS 25 HB2 CYS 25 14.652 -3.105 0.249
163 HB3 CYS 25 HB3 CYS 25 15.868 -2.711 1.460
164 H ARG 26 H ARG 26 17.968 -5.662 -1.007
165 HA ARG 26 HA ARG 26 20.243 -4.478 0.363
166 HB2 ARG 26 HB2 ARG 26 19.820 -7.466 0.189
167 HB3 ARG 26 HB3 ARG 26 21.340 -6.703 0.636
168 HG2 ARG 26 HG2 ARG 26 18.775 -6.264 2.139
169 HG3 ARG 26 HG3 ARG 26 19.936 -7.531 2.540
170 HD2 ARG 26 HD2 ARG 26 21.676 -5.797 2.814
171 HD3 ARG 26 HD3 ARG 26 20.456 -4.561 2.506
172 HE ARG 26 HE ARG 26 19.474 -6.071 4.584
173 HH11 ARG 26 HH11 ARG 26 22.319 -4.157 3.981
174 HH12 ARG 26 HH12 ARG 26 22.530 -3.712 5.643
175 HH21 ARG 26 HH21 ARG 26 19.742 -5.492 6.774
176 HH22 ARG 26 HH22 ARG 26 21.064 -4.473 7.230
177 H TYR 27 H TYR 27 22.135 -4.454 -0.866
178 HA TYR 27 HA TYR 27 23.396 -4.394 -2.758
179 HB2 TYR 27 HB2 TYR 27 21.715 -6.637 -3.860
180 HB3 TYR 27 HB3 TYR 27 23.404 -6.274 -4.193
181 HD1 TYR 27 HD1 TYR 27 25.138 -6.797 -2.513
182 HD2 TYR 27 HD2 TYR 27 21.076 -7.927 -1.947
183 HE1 TYR 27 HE1 TYR 27 25.828 -8.376 -0.758
184 HE2 TYR 27 HE2 TYR 27 21.754 -9.508 -0.190
185 HH TYR 27 HH TYR 27 25.144 -10.141 0.503
186 H GLY 28 H GLY 28 21.076 -2.738 -2.560
187 HA2 GLY 28 HA2 GLY 28 19.936 -1.240 -3.876
188 HA3 GLY 28 HA3 GLY 28 20.938 -1.779 -5.215
189 H LYS 29 H LYS 29 19.269 -4.312 -3.712
190 HA LYS 29 HA LYS 29 16.940 -4.080 -5.459
191 HB2 LYS 29 HB2 LYS 29 19.174 -5.901 -5.889
192 HB3 LYS 29 HB3 LYS 29 17.642 -6.751 -5.736
193 HG2 LYS 29 HG2 LYS 29 16.728 -5.691 -7.598
194 HG3 LYS 29 HG3 LYS 29 17.933 -4.402 -7.571
195 HD2 LYS 29 HD2 LYS 29 18.800 -7.232 -7.990
196 HD3 LYS 29 HD3 LYS 29 18.104 -6.323 -9.334
197 HE2 LYS 29 HE2 LYS 29 19.791 -4.568 -8.995
198 HE3 LYS 29 HE3 LYS 29 20.495 -5.510 -7.682
199 HZ1 LYS 29 HZ1 LYS 29 21.263 -7.119 -9.141
200 HZ2 LYS 29 HZ2 LYS 29 21.537 -5.685 -9.996
201 HZ3 LYS 29 HZ3 LYS 29 20.211 -6.661 -10.384
202 H CYS 30 H CYS 30 15.348 -5.873 -5.014
203 HA CYS 30 HA CYS 30 15.233 -6.303 -2.121
204 HB2 CYS 30 HB2 CYS 30 13.337 -5.232 -3.519
205 HB3 CYS 30 HB3 CYS 30 12.997 -6.876 -4.050
206 H LEU 31 H LEU 31 14.908 -8.318 -1.198
207 HA LEU 31 HA LEU 31 14.850 -10.667 -2.917
208 HB2 LEU 31 HB2 LEU 31 16.739 -11.436 -1.098
209 HB3 LEU 31 HB3 LEU 31 17.052 -10.959 -2.765
210 HG LEU 31 HG LEU 31 17.030 -8.847 -0.665
211 HD11 LEU 31 HD11 LEU 31 18.513 -11.079 -0.197
212 HD12 LEU 31 HD12 LEU 31 18.925 -9.457 0.360
213 HD13 LEU 31 HD13 LEU 31 19.642 -10.089 -1.122
214 HD21 LEU 31 HD21 LEU 31 18.103 -7.634 -2.219
215 HD22 LEU 31 HD22 LEU 31 17.472 -8.838 -3.343
216 HD23 LEU 31 HD23 LEU 31 19.118 -8.986 -2.723
217 H VAL 32 H VAL 32 14.915 -12.708 -1.392
218 HA VAL 32 HA VAL 32 12.680 -12.424 0.380
219 HB VAL 32 HB VAL 32 12.841 -14.438 -0.924
220 HG11 VAL 32 HG11 VAL 32 14.787 -15.408 -1.366
221 HG12 VAL 32 HG12 VAL 32 15.590 -14.291 -0.261
222 HG13 VAL 32 HG13 VAL 32 14.976 -15.834 0.334
223 HG21 VAL 32 HG21 VAL 32 13.478 -15.329 1.867
224 HG22 VAL 32 HG22 VAL 32 11.988 -14.460 1.502
225 HG23 VAL 32 HG23 VAL 32 12.319 -16.007 0.724
226 H ARG 33 H ARG 33 12.826 -11.746 2.406
227 HA ARG 33 HA ARG 33 15.235 -11.445 3.820
228 HB2 ARG 33 HB2 ARG 33 12.972 -10.267 4.178
229 HB3 ARG 33 HB3 ARG 33 12.545 -11.671 5.147
230 HG2 ARG 33 HG2 ARG 33 14.468 -11.239 6.604
231 HG3 ARG 33 HG3 ARG 33 14.861 -9.812 5.643
232 HD2 ARG 33 HD2 ARG 33 13.034 -8.631 6.405
233 HD3 ARG 33 HD3 ARG 33 12.125 -10.089 6.799
234 HE ARG 33 HE ARG 33 14.312 -10.046 8.491
235 HH11 ARG 33 HH11 ARG 33 11.533 -8.051 7.842
236 HH12 ARG 33 HH12 ARG 33 11.428 -7.443 9.460
237 HH21 ARG 33 HH21 ARG 33 14.184 -9.252 10.626
238 HH22 ARG 33 HH22 ARG 33 12.937 -8.126 11.043
Start of MODEL 6
1 H1 ASP 1 H ASP 1 0.729 -0.150 -2.780
2 HA ASP 1 HA ASP 1 2.210 1.085 -0.923
3 HB2 ASP 1 HB2 ASP 1 0.521 -1.347 -0.839
4 HB3 ASP 1 HB3 ASP 1 1.574 -1.086 0.549
5 H CYS 2 H CYS 2 2.946 -2.079 -2.292
6 HA CYS 2 HA CYS 2 5.669 -1.835 -1.242
7 HB2 CYS 2 HB2 CYS 2 5.720 -4.133 -0.493
8 HB3 CYS 2 HB3 CYS 2 4.380 -3.309 0.297
9 H GLY 3 H GLY 3 7.171 -3.410 -2.309
10 HA2 GLY 3 HA2 GLY 3 6.469 -3.581 -5.156
11 HA3 GLY 3 HA3 GLY 3 8.099 -3.577 -4.500
12 H HIS 4 H HIS 4 8.249 -5.426 -6.053
13 HA HIS 4 HA HIS 4 7.000 -7.895 -5.157
14 HB2 HIS 4 HB2 HIS 4 9.012 -7.617 -7.384
15 HB3 HIS 4 HB3 HIS 4 7.802 -8.877 -7.162
16 HD1 HIS 4 HD1 HIS 4 8.152 -6.994 -9.720
17 HD2 HIS 4 HD2 HIS 4 5.299 -6.606 -6.724
18 HE1 HIS 4 HE1 HIS 4 6.253 -5.716 -10.762
19 H LEU 5 H LEU 5 8.735 -9.846 -5.487
20 HA LEU 5 HA LEU 5 10.451 -9.621 -3.221
21 HB2 LEU 5 HB2 LEU 5 9.620 -11.748 -3.457
22 HB3 LEU 5 HB3 LEU 5 9.799 -11.737 -5.210
23 HG LEU 5 HG LEU 5 12.211 -12.060 -4.969
24 HD11 LEU 5 HD11 LEU 5 13.271 -12.385 -2.878
25 HD12 LEU 5 HD12 LEU 5 11.732 -12.387 -2.017
26 HD13 LEU 5 HD13 LEU 5 12.336 -10.896 -2.739
27 HD21 LEU 5 HD21 LEU 5 11.440 -14.244 -3.259
28 HD22 LEU 5 HD22 LEU 5 11.853 -14.252 -4.973
29 HD23 LEU 5 HD23 LEU 5 10.195 -13.924 -4.466
30 H HIS 6 H HIS 6 11.054 -10.028 -6.704
31 HA HIS 6 HA HIS 6 13.875 -9.366 -6.261
32 HB2 HIS 6 HB2 HIS 6 12.450 -10.484 -8.683
33 HB3 HIS 6 HB3 HIS 6 14.170 -10.107 -8.627
34 HD1 HIS 6 HD1 HIS 6 15.234 -11.379 -6.234
35 HD2 HIS 6 HD2 HIS 6 12.147 -13.141 -8.386
36 HE1 HIS 6 HE1 HIS 6 15.297 -13.818 -5.626
37 H ASP 7 H ASP 7 11.571 -7.444 -6.230
38 HA ASP 7 HA ASP 7 12.005 -5.816 -8.591
39 HB2 ASP 7 HB2 ASP 7 9.956 -6.066 -6.613
40 HB3 ASP 7 HB3 ASP 7 10.522 -4.397 -6.623
41 HA PRO 8 HA PRO 8 15.092 -3.149 -6.978
42 HB2 PRO 8 HB2 PRO 8 14.397 -0.778 -8.102
43 HB3 PRO 8 HB3 PRO 8 15.101 -2.110 -9.027
44 HG2 PRO 8 HG2 PRO 8 12.233 -1.291 -8.770
45 HG3 PRO 8 HG3 PRO 8 13.129 -1.788 -10.217
46 HD2 PRO 8 HD2 PRO 8 11.476 -3.464 -8.880
47 HD3 PRO 8 HD3 PRO 8 12.932 -4.030 -9.722
48 H CYS 9 H CYS 9 15.503 -1.392 -5.538
49 HA CYS 9 HA CYS 9 13.207 -0.168 -4.220
50 HB2 CYS 9 HB2 CYS 9 14.166 -0.766 -1.969
51 HB3 CYS 9 HB3 CYS 9 13.487 -2.120 -2.867
52 HA PRO 10 HA PRO 10 16.945 2.578 -4.832
53 HB2 PRO 10 HB2 PRO 10 15.626 4.514 -6.203
54 HB3 PRO 10 HB3 PRO 10 16.365 3.114 -6.989
55 HG2 PRO 10 HG2 PRO 10 13.503 3.577 -6.243
56 HG3 PRO 10 HG3 PRO 10 14.173 2.888 -7.733
57 HD2 PRO 10 HD2 PRO 10 13.144 1.354 -5.753
58 HD3 PRO 10 HD3 PRO 10 14.486 0.812 -6.782
59 H ASN 11 H ASN 11 13.593 3.228 -3.938
60 HA ASN 11 HA ASN 11 14.413 5.520 -2.324
61 HB2 ASN 11 HB2 ASN 11 11.764 4.455 -3.253
62 HB3 ASN 11 HB3 ASN 11 11.842 5.586 -1.906
63 HD21 ASN 11 HD21 ASN 11 12.854 5.146 -5.260
64 HD22 ASN 11 HD22 ASN 11 12.778 6.818 -5.688
65 H ASP 12 H ASP 12 15.203 2.820 -1.584
66 HA ASP 12 HA ASP 12 13.579 1.865 0.537
67 HB2 ASP 12 HB2 ASP 12 15.042 0.271 -0.367
68 HB3 ASP 12 HB3 ASP 12 16.420 1.368 -0.309
69 H ARG 13 H ARG 13 13.246 2.802 2.431
70 HA ARG 13 HA ARG 13 15.467 4.205 3.736
71 HB2 ARG 13 HB2 ARG 13 13.615 5.847 4.558
72 HB3 ARG 13 HB3 ARG 13 14.334 6.073 2.969
73 HG2 ARG 13 HG2 ARG 13 12.416 4.907 1.961
74 HG3 ARG 13 HG3 ARG 13 11.689 4.763 3.562
75 HD2 ARG 13 HD2 ARG 13 12.294 7.293 2.043
76 HD3 ARG 13 HD3 ARG 13 10.707 6.645 2.453
77 HE ARG 13 HE ARG 13 11.995 7.009 4.853
78 HH11 ARG 13 HH11 ARG 13 11.086 9.014 2.156
79 HH12 ARG 13 HH12 ARG 13 10.896 10.444 3.115
80 HH21 ARG 13 HH21 ARG 13 11.748 8.885 6.127
81 HH22 ARG 13 HH22 ARG 13 11.273 10.370 5.374
82 HA PRO 14 HA PRO 14 14.268 2.106 7.396
83 HB2 PRO 14 HB2 PRO 14 14.751 3.966 9.314
84 HB3 PRO 14 HB3 PRO 14 16.040 3.126 8.444
85 HG2 PRO 14 HG2 PRO 14 14.912 5.859 7.980
86 HG3 PRO 14 HG3 PRO 14 16.605 5.332 7.973
87 HD2 PRO 14 HD2 PRO 14 15.191 5.720 5.697
88 HD3 PRO 14 HD3 PRO 14 16.466 4.492 5.831
89 H GLY 15 H GLY 15 12.101 1.700 7.433
90 HA2 GLY 15 HA2 GLY 15 10.165 2.055 8.866
91 HA3 GLY 15 HA3 GLY 15 10.410 3.784 8.664
92 H HIS 16 H HIS 16 11.036 2.774 5.705
93 HA HIS 16 HA HIS 16 8.389 2.162 4.752
94 HB2 HIS 16 HB2 HIS 16 8.623 4.750 5.177
95 HB3 HIS 16 HB3 HIS 16 9.518 4.710 3.661
96 HD1 HIS 16 HD1 HIS 16 6.102 3.775 5.018
97 HD2 HIS 16 HD2 HIS 16 7.958 4.746 1.430
98 HE1 HIS 16 HE1 HIS 16 4.247 3.960 3.329
99 H ARG 17 H ARG 17 9.549 0.362 3.922
100 HA ARG 17 HA ARG 17 11.524 0.913 1.838
101 HB2 ARG 17 HB2 ARG 17 10.625 -1.755 2.937
102 HB3 ARG 17 HB3 ARG 17 12.013 -1.459 1.899
103 HG2 ARG 17 HG2 ARG 17 12.865 0.047 3.786
104 HG3 ARG 17 HG3 ARG 17 11.644 -0.746 4.784
105 HD2 ARG 17 HD2 ARG 17 13.618 -2.325 3.167
106 HD3 ARG 17 HD3 ARG 17 14.023 -1.715 4.771
107 HE ARG 17 HE ARG 17 12.251 -3.894 4.136
108 HH11 ARG 17 HH11 ARG 17 13.133 -1.498 6.503
109 HH12 ARG 17 HH12 ARG 17 12.475 -2.386 7.838
110 HH21 ARG 17 HH21 ARG 17 11.382 -5.072 5.885
111 HH22 ARG 17 HH22 ARG 17 11.480 -4.419 7.485
112 H THR 18 H THR 18 11.367 -0.318 -0.207
113 HA THR 18 HA THR 18 8.627 -0.196 -1.212
114 HB THR 18 HB THR 18 9.528 -0.096 -3.405
115 HG1 THR 18 HG1 THR 18 11.764 -1.255 -2.186
116 HG21 THR 18 HG21 THR 18 10.680 1.905 -3.331
117 HG22 THR 18 HG22 THR 18 11.645 1.420 -1.937
118 HG23 THR 18 HG23 THR 18 9.953 1.868 -1.726
119 H CYS 19 H CYS 19 9.818 -2.443 0.437
120 HA CYS 19 HA CYS 19 9.343 -4.639 -1.469
121 HB2 CYS 19 HB2 CYS 19 10.962 -4.575 1.081
122 HB3 CYS 19 HB3 CYS 19 10.570 -6.057 0.216
123 H CYS 20 H CYS 20 7.933 -6.289 -0.922
124 HA CYS 20 HA CYS 20 5.824 -5.558 0.883
125 HB2 CYS 20 HB2 CYS 20 6.092 -7.244 -1.363
126 HB3 CYS 20 HB3 CYS 20 5.629 -8.284 -0.021
127 H ILE 21 H ILE 21 4.924 -7.670 2.149
128 HA ILE 21 HA ILE 21 6.594 -7.953 4.384
129 HB ILE 21 HB ILE 21 4.190 -8.222 4.573
130 HG12 ILE 21 HG12 ILE 21 5.328 -10.927 5.222
131 HG13 ILE 21 HG13 ILE 21 5.895 -9.490 6.066
132 HG21 ILE 21 HG21 ILE 21 2.961 -9.518 3.243
133 HG22 ILE 21 HG22 ILE 21 4.424 -9.769 2.292
134 HG23 ILE 21 HG23 ILE 21 3.980 -10.924 3.548
135 HD11 ILE 21 HD11 ILE 21 3.478 -9.040 6.642
136 HD12 ILE 21 HD12 ILE 21 3.139 -10.670 6.057
137 HD13 ILE 21 HD13 ILE 21 4.229 -10.432 7.423
138 H GLY 22 H GLY 22 7.930 -9.578 5.096
139 HA2 GLY 22 HA2 GLY 22 9.262 -11.454 5.008
140 HA3 GLY 22 HA3 GLY 22 8.190 -12.088 3.769
141 H LEU 23 H LEU 23 9.830 -9.009 3.481
142 HA LEU 23 HA LEU 23 11.718 -10.193 1.568
143 HB2 LEU 23 HB2 LEU 23 10.012 -7.750 1.119
144 HB3 LEU 23 HB3 LEU 23 11.353 -8.235 0.083
145 HG LEU 23 HG LEU 23 8.816 -9.807 0.529
146 HD11 LEU 23 HD11 LEU 23 8.027 -8.235 -0.881
147 HD12 LEU 23 HD12 LEU 23 8.853 -9.216 -2.091
148 HD13 LEU 23 HD13 LEU 23 9.634 -7.773 -1.443
149 HD21 LEU 23 HD21 LEU 23 9.986 -10.823 -1.693
150 HD22 LEU 23 HD22 LEU 23 10.146 -11.513 -0.078
151 HD23 LEU 23 HD23 LEU 23 11.401 -10.446 -0.710
152 H GLN 24 H GLN 24 13.430 -8.531 0.928
153 HA GLN 24 HA GLN 24 13.983 -6.525 2.952
154 HB2 GLN 24 HB2 GLN 24 14.989 -8.365 4.054
155 HB3 GLN 24 HB3 GLN 24 15.677 -8.984 2.559
156 HG2 GLN 24 HG2 GLN 24 17.430 -7.542 2.600
157 HG3 GLN 24 HG3 GLN 24 16.520 -6.284 3.434
158 HE21 GLN 24 HE21 GLN 24 17.682 -9.589 4.007
159 HE22 GLN 24 HE22 GLN 24 18.209 -9.305 5.628
160 H CYS 25 H CYS 25 15.419 -4.941 2.281
161 HA CYS 25 HA CYS 25 16.027 -4.988 -0.587
162 HB2 CYS 25 HB2 CYS 25 14.692 -3.094 0.169
163 HB3 CYS 25 HB3 CYS 25 15.911 -2.685 1.371
164 H ARG 26 H ARG 26 18.007 -5.658 -1.075
165 HA ARG 26 HA ARG 26 20.286 -4.454 0.270
166 HB2 ARG 26 HB2 ARG 26 19.870 -7.445 0.131
167 HB3 ARG 26 HB3 ARG 26 21.390 -6.673 0.561
168 HG2 ARG 26 HG2 ARG 26 18.830 -6.225 2.072
169 HG3 ARG 26 HG3 ARG 26 19.998 -7.484 2.482
170 HD2 ARG 26 HD2 ARG 26 21.611 -5.956 3.131
171 HD3 ARG 26 HD3 ARG 26 20.899 -4.650 2.184
172 HE ARG 26 HE ARG 26 19.090 -5.407 4.189
173 HH11 ARG 26 HH11 ARG 26 22.187 -3.858 3.829
174 HH12 ARG 26 HH12 ARG 26 22.015 -2.889 5.256
175 HH21 ARG 26 HH21 ARG 26 18.852 -4.137 6.070
176 HH22 ARG 26 HH22 ARG 26 20.118 -3.050 6.530
177 H TYR 27 H TYR 27 22.172 -4.441 -0.970
178 HA TYR 27 HA TYR 27 23.423 -4.399 -2.869
179 HB2 TYR 27 HB2 TYR 27 21.739 -6.657 -3.938
180 HB3 TYR 27 HB3 TYR 27 23.427 -6.295 -4.284
181 HD1 TYR 27 HD2 TYR 27 25.169 -6.794 -2.603
182 HD2 TYR 27 HD1 TYR 27 21.112 -7.927 -2.008
183 HE1 TYR 27 HE2 TYR 27 25.871 -8.353 -0.836
184 HE2 TYR 27 HE1 TYR 27 21.802 -9.489 -0.237
185 HH TYR 27 HH TYR 27 23.513 -10.411 0.841
186 H GLY 28 H GLY 28 21.101 -2.745 -2.677
187 HA2 GLY 28 HA2 GLY 28 19.951 -1.263 -4.003
188 HA3 GLY 28 HA3 GLY 28 20.947 -1.815 -5.341
189 H LYS 29 H LYS 29 19.291 -4.334 -3.802
190 HA LYS 29 HA LYS 29 16.952 -4.125 -5.538
191 HB2 LYS 29 HB2 LYS 29 19.186 -5.947 -5.961
192 HB3 LYS 29 HB3 LYS 29 17.656 -6.798 -5.790
193 HG2 LYS 29 HG2 LYS 29 16.738 -5.785 -7.666
194 HG3 LYS 29 HG3 LYS 29 17.908 -4.463 -7.645
195 HD2 LYS 29 HD2 LYS 29 18.908 -7.244 -8.019
196 HD3 LYS 29 HD3 LYS 29 18.105 -6.448 -9.375
197 HE2 LYS 29 HE2 LYS 29 19.990 -5.369 -9.830
198 HE3 LYS 29 HE3 LYS 29 19.900 -4.577 -8.258
199 HZ1 LYS 29 HZ1 LYS 29 21.329 -6.083 -7.314
200 HZ2 LYS 29 HZ2 LYS 29 21.967 -5.983 -8.877
201 HZ3 LYS 29 HZ3 LYS 29 20.996 -7.298 -8.444
202 H CYS 30 H CYS 30 15.366 -5.917 -5.065
203 HA CYS 30 HA CYS 30 15.267 -6.315 -2.167
204 HB2 CYS 30 HB2 CYS 30 13.362 -5.263 -3.566
205 HB3 CYS 30 HB3 CYS 30 13.022 -6.913 -4.077
206 H LEU 31 H LEU 31 14.950 -8.321 -1.221
207 HA LEU 31 HA LEU 31 14.886 -10.688 -2.915
208 HB2 LEU 31 HB2 LEU 31 16.786 -11.435 -1.097
209 HB3 LEU 31 HB3 LEU 31 17.090 -10.977 -2.772
210 HG LEU 31 HG LEU 31 17.076 -8.841 -0.694
211 HD11 LEU 31 HD11 LEU 31 18.557 -11.057 -0.193
212 HD12 LEU 31 HD12 LEU 31 18.993 -9.425 0.313
213 HD13 LEU 31 HD13 LEU 31 19.682 -10.104 -1.162
214 HD21 LEU 31 HD21 LEU 31 17.503 -8.863 -3.376
215 HD22 LEU 31 HD22 LEU 31 19.152 -8.998 -2.763
216 HD23 LEU 31 HD23 LEU 31 18.135 -7.643 -2.270
217 H VAL 32 H VAL 32 14.963 -12.713 -1.368
218 HA VAL 32 HA VAL 32 12.736 -12.413 0.412
219 HB VAL 32 HB VAL 32 12.893 -14.441 -0.872
220 HG11 VAL 32 HG11 VAL 32 14.836 -15.419 -1.311
221 HG12 VAL 32 HG12 VAL 32 15.645 -14.282 -0.231
222 HG13 VAL 32 HG13 VAL 32 15.041 -15.816 0.395
223 HG21 VAL 32 HG21 VAL 32 12.058 -14.435 1.562
224 HG22 VAL 32 HG22 VAL 32 12.377 -15.990 0.794
225 HG23 VAL 32 HG23 VAL 32 13.547 -15.308 1.923
226 H ARG 33 H ARG 33 12.893 -11.714 2.430
227 HA ARG 33 HA ARG 33 15.354 -11.496 3.823
228 HB2 ARG 33 HB2 ARG 33 13.526 -9.939 4.231
229 HB3 ARG 33 HB3 ARG 33 12.510 -11.250 4.815
230 HG2 ARG 33 HG2 ARG 33 13.443 -11.236 6.851
231 HG3 ARG 33 HG3 ARG 33 15.069 -10.977 6.215
232 HD2 ARG 33 HD2 ARG 33 14.775 -8.660 6.089
233 HD3 ARG 33 HD3 ARG 33 13.019 -8.789 6.195
234 HE ARG 33 HE ARG 33 14.870 -8.660 8.370
235 HH11 ARG 33 HH11 ARG 33 11.770 -9.892 7.373
236 HH12 ARG 33 HH12 ARG 33 11.128 -9.948 8.981
237 HH21 ARG 33 HH21 ARG 33 14.037 -8.729 10.492
238 HH22 ARG 33 HH22 ARG 33 12.418 -9.286 10.755
Start of MODEL 7
1 H1 ASP 1 H ASP 1 2.704 1.339 -2.603
2 HA ASP 1 HA ASP 1 2.073 0.921 -0.239
3 HB2 ASP 1 HB2 ASP 1 1.038 -1.630 -1.492
4 HB3 ASP 1 HB3 ASP 1 1.182 -1.361 0.243
5 H CYS 2 H CYS 2 2.969 -1.998 -2.080
6 HA CYS 2 HA CYS 2 5.705 -1.757 -1.063
7 HB2 CYS 2 HB2 CYS 2 5.765 -4.058 -0.322
8 HB3 CYS 2 HB3 CYS 2 4.436 -3.234 0.488
9 H GLY 3 H GLY 3 7.194 -3.330 -2.153
10 HA2 GLY 3 HA2 GLY 3 6.456 -3.492 -4.992
11 HA3 GLY 3 HA3 GLY 3 8.094 -3.491 -4.356
12 H HIS 4 H HIS 4 8.225 -5.336 -5.915
13 HA HIS 4 HA HIS 4 6.985 -7.806 -5.011
14 HB2 HIS 4 HB2 HIS 4 8.971 -7.523 -7.262
15 HB3 HIS 4 HB3 HIS 4 7.762 -8.783 -7.028
16 HD1 HIS 4 HD1 HIS 4 8.083 -6.894 -9.585
17 HD2 HIS 4 HD2 HIS 4 5.267 -6.513 -6.554
18 HE1 HIS 4 HE1 HIS 4 6.172 -5.612 -10.600
19 H LEU 5 H LEU 5 8.715 -9.758 -5.366
20 HA LEU 5 HA LEU 5 10.458 -9.539 -3.121
21 HB2 LEU 5 HB2 LEU 5 9.624 -11.665 -3.352
22 HB3 LEU 5 HB3 LEU 5 9.781 -11.650 -5.107
23 HG LEU 5 HG LEU 5 12.196 -11.975 -4.896
24 HD11 LEU 5 HD11 LEU 5 12.349 -10.817 -2.665
25 HD12 LEU 5 HD12 LEU 5 13.282 -12.306 -2.820
26 HD13 LEU 5 HD13 LEU 5 11.753 -12.310 -1.940
27 HD21 LEU 5 HD21 LEU 5 11.575 -14.103 -5.079
28 HD22 LEU 5 HD22 LEU 5 10.162 -13.850 -4.055
29 HD23 LEU 5 HD23 LEU 5 11.725 -14.217 -3.325
30 H HIS 6 H HIS 6 11.019 -9.938 -6.613
31 HA HIS 6 HA HIS 6 13.845 -9.279 -6.202
32 HB2 HIS 6 HB2 HIS 6 12.391 -10.389 -8.610
33 HB3 HIS 6 HB3 HIS 6 14.111 -10.013 -8.573
34 HD1 HIS 6 HD1 HIS 6 15.203 -11.293 -6.197
35 HD2 HIS 6 HD2 HIS 6 12.088 -13.046 -8.315
36 HE1 HIS 6 HE1 HIS 6 15.271 -13.734 -5.597
37 H ASP 7 H ASP 7 11.544 -7.356 -6.138
38 HA ASP 7 HA ASP 7 11.950 -5.721 -8.499
39 HB2 ASP 7 HB2 ASP 7 9.925 -5.975 -6.497
40 HB3 ASP 7 HB3 ASP 7 10.492 -4.307 -6.510
41 HA PRO 8 HA PRO 8 15.058 -3.060 -6.916
42 HB2 PRO 8 HB2 PRO 8 14.350 -0.685 -8.024
43 HB3 PRO 8 HB3 PRO 8 15.042 -2.015 -8.961
44 HG2 PRO 8 HG2 PRO 8 12.178 -1.195 -8.667
45 HG3 PRO 8 HG3 PRO 8 13.057 -1.688 -10.127
46 HD2 PRO 8 HD2 PRO 8 11.418 -3.368 -8.775
47 HD3 PRO 8 HD3 PRO 8 12.864 -3.932 -9.636
48 H CYS 9 H CYS 9 15.487 -1.306 -5.476
49 HA CYS 9 HA CYS 9 13.207 -0.085 -4.127
50 HB2 CYS 9 HB2 CYS 9 14.194 -0.691 -1.889
51 HB3 CYS 9 HB3 CYS 9 13.504 -2.042 -2.783
52 HA PRO 10 HA PRO 10 16.938 2.661 -4.776
53 HB2 PRO 10 HB2 PRO 10 15.603 4.602 -6.126
54 HB3 PRO 10 HB3 PRO 10 16.331 3.204 -6.925
55 HG2 PRO 10 HG2 PRO 10 13.479 3.665 -6.143
56 HG3 PRO 10 HG3 PRO 10 14.131 2.980 -7.643
57 HD2 PRO 10 HD2 PRO 10 13.126 1.441 -5.655
58 HD3 PRO 10 HD3 PRO 10 14.455 0.901 -6.701
59 H ASN 11 H ASN 11 13.597 3.309 -3.840
60 HA ASN 11 HA ASN 11 14.438 5.597 -2.229
61 HB2 ASN 11 HB2 ASN 11 11.764 4.525 -3.093
62 HB3 ASN 11 HB3 ASN 11 11.888 5.698 -1.785
63 HD21 ASN 11 HD21 ASN 11 11.475 5.329 -5.032
64 HD22 ASN 11 HD22 ASN 11 11.919 6.914 -5.557
65 H ASP 12 H ASP 12 15.237 2.895 -1.507
66 HA ASP 12 HA ASP 12 13.639 1.933 0.632
67 HB2 ASP 12 HB2 ASP 12 15.095 0.347 -0.305
68 HB3 ASP 12 HB3 ASP 12 16.474 1.441 -0.240
69 H ARG 13 H ARG 13 13.329 2.866 2.532
70 HA ARG 13 HA ARG 13 15.567 4.265 3.814
71 HB2 ARG 13 HB2 ARG 13 13.725 5.905 4.662
72 HB3 ARG 13 HB3 ARG 13 14.426 6.135 3.066
73 HG2 ARG 13 HG2 ARG 13 12.497 4.975 2.075
74 HG3 ARG 13 HG3 ARG 13 11.788 4.824 3.684
75 HD2 ARG 13 HD2 ARG 13 11.103 6.959 3.708
76 HD3 ARG 13 HD3 ARG 13 12.607 7.546 3.001
77 HE ARG 13 HE ARG 13 11.205 6.256 0.983
78 HH11 ARG 13 HH11 ARG 13 10.809 9.027 3.052
79 HH12 ARG 13 HH12 ARG 13 9.856 9.910 1.906
80 HH21 ARG 13 HH21 ARG 13 9.951 7.408 -0.535
81 HH22 ARG 13 HH22 ARG 13 9.367 8.988 -0.133
82 HA PRO 14 HA PRO 14 14.410 2.157 7.483
83 HB2 PRO 14 HB2 PRO 14 14.917 4.011 9.399
84 HB3 PRO 14 HB3 PRO 14 16.195 3.173 8.512
85 HG2 PRO 14 HG2 PRO 14 15.063 5.908 8.068
86 HG3 PRO 14 HG3 PRO 14 16.755 5.380 8.040
87 HD2 PRO 14 HD2 PRO 14 15.315 5.774 5.782
88 HD3 PRO 14 HD3 PRO 14 16.591 4.545 5.898
89 H GLY 15 H GLY 15 12.244 1.752 7.544
90 HA2 GLY 15 HA2 GLY 15 10.325 2.104 9.001
91 HA3 GLY 15 HA3 GLY 15 10.569 3.833 8.800
92 H HIS 16 H HIS 16 11.159 2.829 5.832
93 HA HIS 16 HA HIS 16 8.499 2.222 4.910
94 HB2 HIS 16 HB2 HIS 16 8.741 4.809 5.337
95 HB3 HIS 16 HB3 HIS 16 9.618 4.772 3.810
96 HD1 HIS 16 HD1 HIS 16 6.221 3.798 5.197
97 HD2 HIS 16 HD2 HIS 16 8.028 4.852 1.607
98 HE1 HIS 16 HE1 HIS 16 4.346 3.998 3.533
99 H ARG 17 H ARG 17 9.648 0.423 4.062
100 HA ARG 17 HA ARG 17 11.599 0.976 1.956
101 HB2 ARG 17 HB2 ARG 17 10.710 -1.673 3.110
102 HB3 ARG 17 HB3 ARG 17 12.042 -1.425 1.989
103 HG2 ARG 17 HG2 ARG 17 12.952 0.156 3.844
104 HG3 ARG 17 HG3 ARG 17 11.857 -0.753 4.888
105 HD2 ARG 17 HD2 ARG 17 13.837 -2.104 3.076
106 HD3 ARG 17 HD3 ARG 17 14.263 -1.582 4.705
107 HE ARG 17 HE ARG 17 12.688 -3.858 3.983
108 HH11 ARG 17 HH11 ARG 17 13.231 -1.467 6.454
109 HH12 ARG 17 HH12 ARG 17 12.622 -2.462 7.734
110 HH21 ARG 17 HH21 ARG 17 11.884 -5.178 5.660
111 HH22 ARG 17 HH22 ARG 17 11.857 -4.574 7.282
112 H THR 18 H THR 18 11.416 -0.246 -0.091
113 HA THR 18 HA THR 18 8.665 -0.120 -1.063
114 HB THR 18 HB THR 18 9.541 -0.015 -3.266
115 HG1 THR 18 HG1 THR 18 11.387 -0.921 -3.800
116 HG21 THR 18 HG21 THR 18 9.988 1.944 -1.582
117 HG22 THR 18 HG22 THR 18 10.690 1.986 -3.200
118 HG23 THR 18 HG23 THR 18 11.676 1.496 -1.823
119 H CYS 19 H CYS 19 9.877 -2.374 0.565
120 HA CYS 19 HA CYS 19 9.375 -4.563 -1.342
121 HB2 CYS 19 HB2 CYS 19 11.026 -4.507 1.188
122 HB3 CYS 19 HB3 CYS 19 10.622 -5.987 0.324
123 H CYS 20 H CYS 20 7.969 -6.213 -0.784
124 HA CYS 20 HA CYS 20 5.884 -5.486 1.050
125 HB2 CYS 20 HB2 CYS 20 6.124 -7.166 -1.205
126 HB3 CYS 20 HB3 CYS 20 5.676 -8.209 0.141
127 H ILE 21 H ILE 21 4.998 -7.606 2.316
128 HA ILE 21 HA ILE 21 6.694 -7.894 4.532
129 HB ILE 21 HB ILE 21 4.296 -8.165 4.756
130 HG12 ILE 21 HG12 ILE 21 5.282 -10.911 5.377
131 HG13 ILE 21 HG13 ILE 21 6.109 -9.548 6.123
132 HG21 ILE 21 HG21 ILE 21 4.507 -9.709 2.460
133 HG22 ILE 21 HG22 ILE 21 4.046 -10.852 3.719
134 HG23 ILE 21 HG23 ILE 21 3.050 -9.429 3.413
135 HD11 ILE 21 HD11 ILE 21 3.144 -10.004 6.298
136 HD12 ILE 21 HD12 ILE 21 4.306 -10.558 7.504
137 HD13 ILE 21 HD13 ILE 21 4.109 -8.833 7.196
138 H GLY 22 H GLY 22 8.035 -9.524 5.226
139 HA2 GLY 22 HA2 GLY 22 9.369 -11.397 5.117
140 HA3 GLY 22 HA3 GLY 22 8.282 -12.029 3.888
141 H LEU 23 H LEU 23 9.916 -8.948 3.587
142 HA LEU 23 HA LEU 23 11.782 -10.127 1.648
143 HB2 LEU 23 HB2 LEU 23 10.070 -7.683 1.228
144 HB3 LEU 23 HB3 LEU 23 11.398 -8.164 0.174
145 HG LEU 23 HG LEU 23 8.866 -9.736 0.647
146 HD11 LEU 23 HD11 LEU 23 8.063 -8.158 -0.751
147 HD12 LEU 23 HD12 LEU 23 8.872 -9.140 -1.972
148 HD13 LEU 23 HD13 LEU 23 9.664 -7.700 -1.332
149 HD21 LEU 23 HD21 LEU 23 10.185 -11.442 0.019
150 HD22 LEU 23 HD22 LEU 23 11.438 -10.376 -0.618
151 HD23 LEU 23 HD23 LEU 23 10.014 -10.746 -1.593
152 H GLN 24 H GLN 24 13.486 -8.463 0.993
153 HA GLN 24 HA GLN 24 14.064 -6.463 3.016
154 HB2 GLN 24 HB2 GLN 24 15.083 -8.304 4.101
155 HB3 GLN 24 HB3 GLN 24 15.751 -8.922 2.596
156 HG2 GLN 24 HG2 GLN 24 17.504 -7.478 2.613
157 HG3 GLN 24 HG3 GLN 24 16.608 -6.225 3.470
158 HE21 GLN 24 HE21 GLN 24 17.677 -9.564 4.044
159 HE22 GLN 24 HE22 GLN 24 18.269 -9.278 5.642
160 H CYS 25 H CYS 25 15.496 -4.879 2.334
161 HA CYS 25 HA CYS 25 16.068 -4.918 -0.542
162 HB2 CYS 25 HB2 CYS 25 14.743 -3.026 0.235
163 HB3 CYS 25 HB3 CYS 25 15.976 -2.620 1.424
164 H ARG 26 H ARG 26 18.041 -5.587 -1.056
165 HA ARG 26 HA ARG 26 20.337 -4.387 0.264
166 HB2 ARG 26 HB2 ARG 26 19.918 -7.378 0.123
167 HB3 ARG 26 HB3 ARG 26 21.444 -6.608 0.537
168 HG2 ARG 26 HG2 ARG 26 18.903 -6.162 2.080
169 HG3 ARG 26 HG3 ARG 26 20.074 -7.422 2.473
170 HD2 ARG 26 HD2 ARG 26 21.772 -5.425 2.415
171 HD3 ARG 26 HD3 ARG 26 20.323 -4.457 2.686
172 HE ARG 26 HE ARG 26 20.330 -6.544 4.541
173 HH11 ARG 26 HH11 ARG 26 22.169 -3.688 3.776
174 HH12 ARG 26 HH12 ARG 26 22.674 -3.417 5.411
175 HH21 ARG 26 HH21 ARG 26 20.989 -6.198 6.697
176 HH22 ARG 26 HH22 ARG 26 22.004 -4.846 7.071
177 H TYR 27 H TYR 27 22.208 -4.373 -0.998
178 HA TYR 27 HA TYR 27 23.437 -4.328 -2.912
179 HB2 TYR 27 HB2 TYR 27 21.738 -6.581 -3.966
180 HB3 TYR 27 HB3 TYR 27 23.422 -6.220 -4.331
181 HD1 TYR 27 HD1 TYR 27 25.185 -6.727 -2.676
182 HD2 TYR 27 HD2 TYR 27 21.133 -7.855 -2.031
183 HE1 TYR 27 HE1 TYR 27 25.906 -8.292 -0.921
184 HE2 TYR 27 HE2 TYR 27 21.843 -9.421 -0.273
185 HH TYR 27 HH TYR 27 24.838 -10.532 0.099
186 H GLY 28 H GLY 28 21.119 -2.671 -2.687
187 HA2 GLY 28 HA2 GLY 28 19.954 -1.186 -3.995
188 HA3 GLY 28 HA3 GLY 28 20.934 -1.735 -5.347
189 H LYS 29 H LYS 29 19.293 -4.257 -3.794
190 HA LYS 29 HA LYS 29 16.934 -4.041 -5.502
191 HB2 LYS 29 HB2 LYS 29 19.162 -5.864 -5.957
192 HB3 LYS 29 HB3 LYS 29 17.633 -6.713 -5.771
193 HG2 LYS 29 HG2 LYS 29 16.693 -5.692 -7.632
194 HG3 LYS 29 HG3 LYS 29 17.866 -4.374 -7.621
195 HD2 LYS 29 HD2 LYS 29 18.912 -7.125 -7.988
196 HD3 LYS 29 HD3 LYS 29 18.014 -6.414 -9.332
197 HE2 LYS 29 HE2 LYS 29 19.510 -4.523 -9.386
198 HE3 LYS 29 HE3 LYS 29 20.348 -5.099 -7.946
199 HZ1 LYS 29 HZ1 LYS 29 20.580 -7.210 -9.561
200 HZ2 LYS 29 HZ2 LYS 29 21.738 -5.983 -9.450
201 HZ3 LYS 29 HZ3 LYS 29 20.599 -5.960 -10.701
202 H CYS 30 H CYS 30 15.353 -5.834 -5.015
203 HA CYS 30 HA CYS 30 15.289 -6.241 -2.117
204 HB2 CYS 30 HB2 CYS 30 13.367 -5.183 -3.489
205 HB3 CYS 30 HB3 CYS 30 13.020 -6.831 -4.001
206 H LEU 31 H LEU 31 14.982 -8.249 -1.173
207 HA LEU 31 HA LEU 31 14.895 -10.611 -2.873
208 HB2 LEU 31 HB2 LEU 31 16.818 -11.365 -1.082
209 HB3 LEU 31 HB3 LEU 31 17.101 -10.901 -2.759
210 HG LEU 31 HG LEU 31 17.115 -8.773 -0.674
211 HD11 LEU 31 HD11 LEU 31 18.943 -11.050 -0.754
212 HD12 LEU 31 HD12 LEU 31 18.670 -9.854 0.513
213 HD13 LEU 31 HD13 LEU 31 19.748 -9.483 -0.833
214 HD21 LEU 31 HD21 LEU 31 17.509 -8.787 -3.361
215 HD22 LEU 31 HD22 LEU 31 19.165 -8.921 -2.769
216 HD23 LEU 31 HD23 LEU 31 18.152 -7.569 -2.260
217 H VAL 32 H VAL 32 14.991 -12.640 -1.333
218 HA VAL 32 HA VAL 32 12.788 -12.344 0.477
219 HB VAL 32 HB VAL 32 12.926 -14.369 -0.815
220 HG11 VAL 32 HG11 VAL 32 15.682 -14.207 -0.237
221 HG12 VAL 32 HG12 VAL 32 15.102 -15.732 0.435
222 HG13 VAL 32 HG13 VAL 32 14.854 -15.368 -1.274
223 HG21 VAL 32 HG21 VAL 32 12.264 -14.310 1.750
224 HG22 VAL 32 HG22 VAL 32 12.271 -15.812 0.826
225 HG23 VAL 32 HG23 VAL 32 13.633 -15.415 1.874
226 H ARG 33 H ARG 33 12.971 -11.652 2.495
227 HA ARG 33 HA ARG 33 15.401 -11.331 3.862
228 HB2 ARG 33 HB2 ARG 33 13.270 -10.080 4.309
229 HB3 ARG 33 HB3 ARG 33 12.655 -11.523 5.105
230 HG2 ARG 33 HG2 ARG 33 14.725 -11.359 6.598
231 HG3 ARG 33 HG3 ARG 33 14.891 -9.722 5.959
232 HD2 ARG 33 HD2 ARG 33 13.673 -9.596 8.012
233 HD3 ARG 33 HD3 ARG 33 12.552 -9.273 6.690
234 HE ARG 33 HE ARG 33 12.421 -11.994 7.240
235 HH11 ARG 33 HH11 ARG 33 11.728 -8.980 8.838
236 HH12 ARG 33 HH12 ARG 33 10.461 -9.640 9.817
237 HH21 ARG 33 HH21 ARG 33 10.754 -12.875 8.524
238 HH22 ARG 33 HH22 ARG 33 9.908 -11.856 9.639
Start of MODEL 8
1 H1 ASP 1 H ASP 1 2.094 0.904 0.605
2 HA ASP 1 HA ASP 1 1.354 -0.617 -1.274
3 HB2 ASP 1 HB2 ASP 1 2.133 1.851 -2.654
4 HB3 ASP 1 HB3 ASP 1 2.802 0.393 -3.383
5 H CYS 2 H CYS 2 2.826 -2.176 -2.122
6 HA CYS 2 HA CYS 2 5.607 -1.834 -1.216
7 HB2 CYS 2 HB2 CYS 2 5.661 -4.137 -0.477
8 HB3 CYS 2 HB3 CYS 2 4.319 -3.315 0.312
9 H GLY 3 H GLY 3 7.122 -3.404 -2.275
10 HA2 GLY 3 HA2 GLY 3 6.445 -3.561 -5.129
11 HA3 GLY 3 HA3 GLY 3 8.069 -3.568 -4.457
12 H HIS 4 H HIS 4 8.214 -5.408 -6.027
13 HA HIS 4 HA HIS 4 6.953 -7.877 -5.148
14 HB2 HIS 4 HB2 HIS 4 8.972 -7.596 -7.368
15 HB3 HIS 4 HB3 HIS 4 7.755 -8.851 -7.156
16 HD1 HIS 4 HD1 HIS 4 8.123 -6.953 -9.702
17 HD2 HIS 4 HD2 HIS 4 5.261 -6.573 -6.714
18 HE1 HIS 4 HE1 HIS 4 6.232 -5.661 -10.742
19 H LEU 5 H LEU 5 8.684 -9.832 -5.488
20 HA LEU 5 HA LEU 5 10.392 -9.629 -3.214
21 HB2 LEU 5 HB2 LEU 5 9.554 -11.752 -3.470
22 HB3 LEU 5 HB3 LEU 5 9.743 -11.729 -5.222
23 HG LEU 5 HG LEU 5 12.153 -12.061 -4.970
24 HD11 LEU 5 HD11 LEU 5 13.198 -12.408 -2.873
25 HD12 LEU 5 HD12 LEU 5 11.654 -12.399 -2.023
26 HD13 LEU 5 HD13 LEU 5 12.276 -10.911 -2.736
27 HD21 LEU 5 HD21 LEU 5 11.390 -14.259 -3.285
28 HD22 LEU 5 HD22 LEU 5 11.769 -14.247 -5.008
29 HD23 LEU 5 HD23 LEU 5 10.122 -13.923 -4.464
30 H HIS 6 H HIS 6 11.008 -10.017 -6.698
31 HA HIS 6 HA HIS 6 13.828 -9.364 -6.241
32 HB2 HIS 6 HB2 HIS 6 12.409 -10.462 -8.675
33 HB3 HIS 6 HB3 HIS 6 14.129 -10.089 -8.611
34 HD1 HIS 6 HD1 HIS 6 15.185 -11.379 -6.225
35 HD2 HIS 6 HD2 HIS 6 12.099 -13.120 -8.394
36 HE1 HIS 6 HE1 HIS 6 15.242 -13.822 -5.632
37 H ASP 7 H ASP 7 11.530 -7.436 -6.205
38 HA ASP 7 HA ASP 7 11.977 -5.793 -8.552
39 HB2 ASP 7 HB2 ASP 7 9.919 -6.051 -6.586
40 HB3 ASP 7 HB3 ASP 7 10.489 -4.385 -6.581
41 HA PRO 8 HA PRO 8 15.065 -3.146 -6.907
42 HB2 PRO 8 HB2 PRO 8 14.383 -0.767 -8.022
43 HB3 PRO 8 HB3 PRO 8 15.089 -2.095 -8.950
44 HG2 PRO 8 HG2 PRO 8 12.222 -1.269 -8.705
45 HG3 PRO 8 HG3 PRO 8 13.125 -1.761 -10.150
46 HD2 PRO 8 HD2 PRO 8 11.458 -3.439 -8.831
47 HD3 PRO 8 HD3 PRO 8 12.918 -4.005 -9.668
48 H CYS 9 H CYS 9 15.473 -1.389 -5.462
49 HA CYS 9 HA CYS 9 13.173 -0.168 -4.148
50 HB2 CYS 9 HB2 CYS 9 14.117 -0.782 -1.895
51 HB3 CYS 9 HB3 CYS 9 13.438 -2.128 -2.804
52 HA PRO 10 HA PRO 10 16.926 2.567 -4.723
53 HB2 PRO 10 HB2 PRO 10 15.623 4.515 -6.093
54 HB3 PRO 10 HB3 PRO 10 16.361 3.116 -6.881
55 HG2 PRO 10 HG2 PRO 10 13.496 3.585 -6.151
56 HG3 PRO 10 HG3 PRO 10 14.174 2.901 -7.640
57 HD2 PRO 10 HD2 PRO 10 13.126 1.362 -5.675
58 HD3 PRO 10 HD3 PRO 10 14.472 0.819 -6.697
59 H ASN 11 H ASN 11 13.570 3.223 -3.847
60 HA ASN 11 HA ASN 11 14.388 5.506 -2.217
61 HB2 ASN 11 HB2 ASN 11 11.742 4.453 -3.170
62 HB3 ASN 11 HB3 ASN 11 11.813 5.573 -1.812
63 HD21 ASN 11 HD21 ASN 11 12.074 5.187 -5.207
64 HD22 ASN 11 HD22 ASN 11 12.304 6.852 -5.603
65 H ASP 12 H ASP 12 15.167 2.801 -1.485
66 HA ASP 12 HA ASP 12 13.528 1.841 0.624
67 HB2 ASP 12 HB2 ASP 12 14.989 0.246 -0.281
68 HB3 ASP 12 HB3 ASP 12 16.371 1.337 -0.211
69 H ARG 13 H ARG 13 13.189 2.772 2.520
70 HA ARG 13 HA ARG 13 15.410 4.164 3.839
71 HB2 ARG 13 HB2 ARG 13 13.558 5.803 4.665
72 HB3 ARG 13 HB3 ARG 13 14.279 6.036 3.078
73 HG2 ARG 13 HG2 ARG 13 12.361 4.873 2.063
74 HG3 ARG 13 HG3 ARG 13 11.631 4.728 3.663
75 HD2 ARG 13 HD2 ARG 13 12.450 7.394 2.562
76 HD3 ARG 13 HD3 ARG 13 10.896 6.674 2.144
77 HE ARG 13 HE ARG 13 11.175 6.623 4.928
78 HH11 ARG 13 HH11 ARG 13 10.795 8.920 2.339
79 HH12 ARG 13 HH12 ARG 13 9.986 10.093 3.324
80 HH21 ARG 13 HH21 ARG 13 10.110 8.160 6.235
81 HH22 ARG 13 HH22 ARG 13 9.597 9.660 5.540
82 HA PRO 14 HA PRO 14 14.200 2.047 7.486
83 HB2 PRO 14 HB2 PRO 14 14.679 3.896 9.414
84 HB3 PRO 14 HB3 PRO 14 15.970 3.060 8.544
85 HG2 PRO 14 HG2 PRO 14 14.845 5.796 8.091
86 HG3 PRO 14 HG3 PRO 14 16.537 5.268 8.086
87 HD2 PRO 14 HD2 PRO 14 15.129 5.668 5.807
88 HD3 PRO 14 HD3 PRO 14 16.403 4.439 5.939
89 H GLY 15 H GLY 15 12.032 1.643 7.513
90 HA2 GLY 15 HA2 GLY 15 10.092 1.991 8.943
91 HA3 GLY 15 HA3 GLY 15 10.340 3.720 8.752
92 H HIS 16 H HIS 16 10.973 2.728 5.790
93 HA HIS 16 HA HIS 16 8.327 2.124 4.826
94 HB2 HIS 16 HB2 HIS 16 8.526 4.697 5.267
95 HB3 HIS 16 HB3 HIS 16 9.477 4.690 3.785
96 HD1 HIS 16 HD1 HIS 16 6.102 3.262 4.844
97 HD2 HIS 16 HD2 HIS 16 7.918 5.204 1.651
98 HE1 HIS 16 HE1 HIS 16 4.289 3.578 3.130
99 H ARG 17 H ARG 17 9.489 0.328 3.988
100 HA ARG 17 HA ARG 17 11.470 0.890 1.912
101 HB2 ARG 17 HB2 ARG 17 10.567 -1.796 2.958
102 HB3 ARG 17 HB3 ARG 17 11.986 -1.463 1.974
103 HG2 ARG 17 HG2 ARG 17 12.743 0.019 3.928
104 HG3 ARG 17 HG3 ARG 17 11.513 -0.835 4.861
105 HD2 ARG 17 HD2 ARG 17 13.197 -2.621 3.295
106 HD3 ARG 17 HD3 ARG 17 14.111 -1.659 4.456
107 HE ARG 17 HE ARG 17 12.329 -3.812 5.037
108 HH11 ARG 17 HH11 ARG 17 13.611 -0.815 6.258
109 HH12 ARG 17 HH12 ARG 17 13.365 -1.236 7.920
110 HH21 ARG 17 HH21 ARG 17 11.999 -4.378 7.222
111 HH22 ARG 17 HH22 ARG 17 12.448 -3.263 8.467
112 H THR 18 H THR 18 11.317 -0.332 -0.139
113 HA THR 18 HA THR 18 8.581 -0.200 -1.153
114 HB THR 18 HB THR 18 9.490 -0.090 -3.342
115 HG1 THR 18 HG1 THR 18 11.087 -1.541 -3.497
116 HG21 THR 18 HG21 THR 18 10.645 1.909 -3.254
117 HG22 THR 18 HG22 THR 18 11.603 1.415 -1.858
118 HG23 THR 18 HG23 THR 18 9.911 1.865 -1.652
119 H CYS 19 H CYS 19 9.758 -2.457 0.490
120 HA CYS 19 HA CYS 19 9.289 -4.642 -1.431
121 HB2 CYS 19 HB2 CYS 19 10.894 -4.592 1.129
122 HB3 CYS 19 HB3 CYS 19 10.502 -6.071 0.258
123 H CYS 20 H CYS 20 7.873 -6.293 -0.899
124 HA CYS 20 HA CYS 20 5.752 -5.566 0.892
125 HB2 CYS 20 HB2 CYS 20 6.039 -7.252 -1.353
126 HB3 CYS 20 HB3 CYS 20 5.563 -8.291 -0.014
127 H ILE 21 H ILE 21 4.850 -7.730 2.114
128 HA ILE 21 HA ILE 21 6.492 -7.997 4.378
129 HB ILE 21 HB ILE 21 4.083 -8.286 4.525
130 HG12 ILE 21 HG12 ILE 21 5.208 -10.983 5.207
131 HG13 ILE 21 HG13 ILE 21 5.803 -9.547 6.032
132 HG21 ILE 21 HG21 ILE 21 4.373 -9.840 2.255
133 HG22 ILE 21 HG22 ILE 21 3.926 -10.995 3.509
134 HG23 ILE 21 HG23 ILE 21 2.892 -9.605 3.182
135 HD11 ILE 21 HD11 ILE 21 4.089 -9.640 7.417
136 HD12 ILE 21 HD12 ILE 21 2.972 -9.466 6.064
137 HD13 ILE 21 HD13 ILE 21 3.488 -11.071 6.580
138 H GLY 22 H GLY 22 7.807 -9.638 5.114
139 HA2 GLY 22 HA2 GLY 22 9.172 -11.488 5.025
140 HA3 GLY 22 HA3 GLY 22 8.110 -12.133 3.782
141 H LEU 23 H LEU 23 9.733 -9.043 3.502
142 HA LEU 23 HA LEU 23 11.628 -10.217 1.588
143 HB2 LEU 23 HB2 LEU 23 9.912 -7.778 1.156
144 HB3 LEU 23 HB3 LEU 23 11.267 -8.233 0.126
145 HG LEU 23 HG LEU 23 8.738 -9.831 0.525
146 HD11 LEU 23 HD11 LEU 23 9.578 -7.785 -1.429
147 HD12 LEU 23 HD12 LEU 23 7.966 -8.239 -0.877
148 HD13 LEU 23 HD13 LEU 23 8.794 -9.223 -2.084
149 HD21 LEU 23 HD21 LEU 23 9.662 -11.132 -1.417
150 HD22 LEU 23 HD22 LEU 23 10.516 -11.349 0.111
151 HD23 LEU 23 HD23 LEU 23 11.199 -10.311 -1.141
152 H GLN 24 H GLN 24 13.345 -8.556 0.964
153 HA GLN 24 HA GLN 24 13.897 -6.563 3.000
154 HB2 GLN 24 HB2 GLN 24 14.893 -8.412 4.096
155 HB3 GLN 24 HB3 GLN 24 15.587 -9.023 2.600
156 HG2 GLN 24 HG2 GLN 24 17.342 -7.584 2.658
157 HG3 GLN 24 HG3 GLN 24 16.430 -6.330 3.496
158 HE21 GLN 24 HE21 GLN 24 17.498 -9.666 4.086
159 HE22 GLN 24 HE22 GLN 24 18.052 -9.383 5.698
160 H CYS 25 H CYS 25 15.344 -4.981 2.344
161 HA CYS 25 HA CYS 25 15.960 -5.015 -0.523
162 HB2 CYS 25 HB2 CYS 25 14.627 -3.122 0.237
163 HB3 CYS 25 HB3 CYS 25 15.843 -2.721 1.446
164 H ARG 26 H ARG 26 17.940 -5.687 -1.007
165 HA ARG 26 HA ARG 26 20.218 -4.495 0.351
166 HB2 ARG 26 HB2 ARG 26 19.796 -7.484 0.198
167 HB3 ARG 26 HB3 ARG 26 21.315 -6.716 0.641
168 HG2 ARG 26 HG2 ARG 26 18.747 -6.273 2.139
169 HG3 ARG 26 HG3 ARG 26 19.912 -7.533 2.550
170 HD2 ARG 26 HD2 ARG 26 21.561 -5.422 2.431
171 HD3 ARG 26 HD3 ARG 26 20.073 -4.602 2.900
172 HE ARG 26 HE ARG 26 20.331 -6.778 4.584
173 HH11 ARG 26 HH11 ARG 26 22.127 -3.892 3.837
174 HH12 ARG 26 HH12 ARG 26 22.812 -3.750 5.423
175 HH21 ARG 26 HH21 ARG 26 21.225 -6.603 6.676
176 HH22 ARG 26 HH22 ARG 26 22.298 -5.293 7.036
177 H TYR 27 H TYR 27 22.109 -4.484 -0.881
178 HA TYR 27 HA TYR 27 23.367 -4.438 -2.775
179 HB2 TYR 27 HB2 TYR 27 21.681 -6.686 -3.859
180 HB3 TYR 27 HB3 TYR 27 23.370 -6.328 -4.197
181 HD1 TYR 27 HD2 TYR 27 25.105 -6.839 -2.511
182 HD2 TYR 27 HD1 TYR 27 21.041 -7.962 -1.938
183 HE1 TYR 27 HE2 TYR 27 25.794 -8.408 -0.747
184 HE2 TYR 27 HE1 TYR 27 21.719 -9.534 -0.171
185 HH TYR 27 HH TYR 27 25.083 -9.753 0.901
186 H GLY 28 H GLY 28 21.050 -2.777 -2.585
187 HA2 GLY 28 HA2 GLY 28 19.909 -1.286 -3.909
188 HA3 GLY 28 HA3 GLY 28 20.909 -1.836 -5.246
189 H LYS 29 H LYS 29 19.239 -4.357 -3.723
190 HA LYS 29 HA LYS 29 16.907 -4.133 -5.468
191 HB2 LYS 29 HB2 LYS 29 19.138 -5.961 -5.889
192 HB3 LYS 29 HB3 LYS 29 17.604 -6.807 -5.728
193 HG2 LYS 29 HG2 LYS 29 16.701 -5.794 -7.607
194 HG3 LYS 29 HG3 LYS 29 17.861 -4.464 -7.569
195 HD2 LYS 29 HD2 LYS 29 18.903 -7.225 -7.945
196 HD3 LYS 29 HD3 LYS 29 18.076 -6.456 -9.302
197 HE2 LYS 29 HE2 LYS 29 19.603 -4.528 -9.095
198 HE3 LYS 29 HE3 LYS 29 20.453 -5.364 -7.797
199 HZ1 LYS 29 HZ1 LYS 29 21.102 -5.510 -10.404
200 HZ2 LYS 29 HZ2 LYS 29 20.173 -6.910 -10.215
201 HZ3 LYS 29 HZ3 LYS 29 21.534 -6.661 -9.241
202 H CYS 30 H CYS 30 15.316 -5.926 -5.009
203 HA CYS 30 HA CYS 30 15.203 -6.333 -2.113
204 HB2 CYS 30 HB2 CYS 30 13.306 -5.271 -3.516
205 HB3 CYS 30 HB3 CYS 30 12.965 -6.919 -4.034
206 H LEU 31 H LEU 31 14.864 -8.343 -1.176
207 HA LEU 31 HA LEU 31 14.808 -10.703 -2.879
208 HB2 LEU 31 HB2 LEU 31 16.694 -11.462 -1.052
209 HB3 LEU 31 HB3 LEU 31 17.010 -10.999 -2.723
210 HG LEU 31 HG LEU 31 16.990 -8.871 -0.638
211 HD11 LEU 31 HD11 LEU 31 19.609 -9.540 -0.696
212 HD12 LEU 31 HD12 LEU 31 18.860 -11.136 -0.739
213 HD13 LEU 31 HD13 LEU 31 18.488 -10.022 0.577
214 HD21 LEU 31 HD21 LEU 31 17.436 -8.890 -3.320
215 HD22 LEU 31 HD22 LEU 31 19.079 -9.019 -2.692
216 HD23 LEU 31 HD23 LEU 31 18.053 -7.669 -2.207
217 H VAL 32 H VAL 32 14.868 -12.734 -1.341
218 HA VAL 32 HA VAL 32 12.634 -12.432 0.430
219 HB VAL 32 HB VAL 32 12.784 -14.453 -0.866
220 HG11 VAL 32 HG11 VAL 32 14.924 -15.840 0.411
221 HG12 VAL 32 HG12 VAL 32 14.720 -15.449 -1.298
222 HG13 VAL 32 HG13 VAL 32 15.532 -14.311 -0.223
223 HG21 VAL 32 HG21 VAL 32 11.980 -15.793 0.754
224 HG22 VAL 32 HG22 VAL 32 13.430 -15.639 1.747
225 HG23 VAL 32 HG23 VAL 32 12.200 -14.375 1.779
226 H ARG 33 H ARG 33 12.785 -11.746 2.453
227 HA ARG 33 HA ARG 33 15.208 -11.472 3.861
228 HB2 ARG 33 HB2 ARG 33 13.258 -10.072 4.327
229 HB3 ARG 33 HB3 ARG 33 12.368 -11.478 4.896
230 HG2 ARG 33 HG2 ARG 33 13.800 -11.712 6.788
231 HG3 ARG 33 HG3 ARG 33 14.906 -10.485 6.167
232 HD2 ARG 33 HD2 ARG 33 12.097 -9.647 6.493
233 HD3 ARG 33 HD3 ARG 33 12.972 -9.995 7.983
234 HE ARG 33 HE ARG 33 13.390 -7.775 6.201
235 HH11 ARG 33 HH11 ARG 33 14.808 -9.791 8.659
236 HH12 ARG 33 HH12 ARG 33 15.974 -8.605 9.143
237 HH21 ARG 33 HH21 ARG 33 14.920 -6.205 6.830
238 HH22 ARG 33 HH22 ARG 33 16.036 -6.565 8.103
Start of MODEL 9
1 H1 ASP 1 H ASP 1 0.748 -0.149 -2.992
2 HA ASP 1 HA ASP 1 2.187 1.112 -1.106
3 HB2 ASP 1 HB2 ASP 1 0.623 -1.437 -0.999
4 HB3 ASP 1 HB3 ASP 1 1.509 -0.917 0.432
5 H CYS 2 H CYS 2 2.944 -2.066 -2.440
6 HA CYS 2 HA CYS 2 5.657 -1.804 -1.368
7 HB2 CYS 2 HB2 CYS 2 5.704 -4.093 -0.587
8 HB3 CYS 2 HB3 CYS 2 4.358 -3.256 0.180
9 H GLY 3 H GLY 3 7.172 -3.389 -2.398
10 HA2 GLY 3 HA2 GLY 3 6.498 -3.602 -5.249
11 HA3 GLY 3 HA3 GLY 3 8.122 -3.588 -4.577
12 H HIS 4 H HIS 4 8.288 -5.458 -6.102
13 HA HIS 4 HA HIS 4 7.030 -7.915 -5.185
14 HB2 HIS 4 HB2 HIS 4 9.066 -7.667 -7.394
15 HB3 HIS 4 HB3 HIS 4 7.853 -8.924 -7.167
16 HD1 HIS 4 HD1 HIS 4 8.232 -7.076 -9.747
17 HD2 HIS 4 HD2 HIS 4 5.346 -6.649 -6.789
18 HE1 HIS 4 HE1 HIS 4 6.344 -5.813 -10.827
19 H LEU 5 H LEU 5 8.768 -9.870 -5.468
20 HA LEU 5 HA LEU 5 10.460 -9.612 -3.188
21 HB2 LEU 5 HB2 LEU 5 9.631 -11.743 -3.401
22 HB3 LEU 5 HB3 LEU 5 9.829 -11.757 -5.153
23 HG LEU 5 HG LEU 5 12.238 -12.077 -4.880
24 HD11 LEU 5 HD11 LEU 5 11.728 -12.362 -1.930
25 HD12 LEU 5 HD12 LEU 5 12.339 -10.881 -2.666
26 HD13 LEU 5 HD13 LEU 5 13.276 -12.371 -2.775
27 HD21 LEU 5 HD21 LEU 5 11.702 -14.226 -4.997
28 HD22 LEU 5 HD22 LEU 5 10.184 -13.935 -4.148
29 HD23 LEU 5 HD23 LEU 5 11.654 -14.278 -3.234
30 H HIS 6 H HIS 6 11.099 -10.068 -6.659
31 HA HIS 6 HA HIS 6 13.915 -9.401 -6.196
32 HB2 HIS 6 HB2 HIS 6 12.515 -10.553 -8.617
33 HB3 HIS 6 HB3 HIS 6 14.234 -10.176 -8.547
34 HD1 HIS 6 HD1 HIS 6 15.273 -11.415 -6.126
35 HD2 HIS 6 HD2 HIS 6 12.206 -13.205 -8.283
36 HE1 HIS 6 HE1 HIS 6 15.328 -13.845 -5.482
37 H ASP 7 H ASP 7 11.612 -7.479 -6.217
38 HA ASP 7 HA ASP 7 12.068 -5.885 -8.596
39 HB2 ASP 7 HB2 ASP 7 10.002 -6.105 -6.635
40 HB3 ASP 7 HB3 ASP 7 10.570 -4.438 -6.660
41 HA PRO 8 HA PRO 8 15.146 -3.200 -6.995
42 HB2 PRO 8 HB2 PRO 8 14.468 -0.847 -8.167
43 HB3 PRO 8 HB3 PRO 8 15.179 -2.195 -9.061
44 HG2 PRO 8 HG2 PRO 8 12.311 -1.366 -8.849
45 HG3 PRO 8 HG3 PRO 8 13.221 -1.890 -10.278
46 HD2 PRO 8 HD2 PRO 8 11.550 -3.540 -8.931
47 HD3 PRO 8 HD3 PRO 8 13.014 -4.123 -9.747
48 H CYS 9 H CYS 9 15.546 -1.425 -5.576
49 HA CYS 9 HA CYS 9 13.239 -0.171 -4.306
50 HB2 CYS 9 HB2 CYS 9 14.169 -0.736 -2.035
51 HB3 CYS 9 HB3 CYS 9 13.497 -2.103 -2.919
52 HA PRO 10 HA PRO 10 16.994 2.552 -4.919
53 HB2 PRO 10 HB2 PRO 10 15.698 4.469 -6.338
54 HB3 PRO 10 HB3 PRO 10 16.442 3.054 -7.092
55 HG2 PRO 10 HG2 PRO 10 13.572 3.538 -6.389
56 HG3 PRO 10 HG3 PRO 10 14.259 2.822 -7.858
57 HD2 PRO 10 HD2 PRO 10 13.200 1.325 -5.866
58 HD3 PRO 10 HD3 PRO 10 14.552 0.761 -6.869
59 H ASN 11 H ASN 11 13.633 3.226 -4.076
60 HA ASN 11 HA ASN 11 14.441 5.544 -2.492
61 HB2 ASN 11 HB2 ASN 11 11.798 4.468 -3.428
62 HB3 ASN 11 HB3 ASN 11 11.868 5.629 -2.105
63 HD21 ASN 11 HD21 ASN 11 12.308 5.113 -5.495
64 HD22 ASN 11 HD22 ASN 11 12.476 6.775 -5.939
65 H ASP 12 H ASP 12 15.215 2.855 -1.697
66 HA ASP 12 HA ASP 12 13.564 1.939 0.421
67 HB2 ASP 12 HB2 ASP 12 15.035 0.327 -0.439
68 HB3 ASP 12 HB3 ASP 12 16.414 1.422 -0.382
69 H ARG 13 H ARG 13 13.210 2.909 2.295
70 HA ARG 13 HA ARG 13 15.418 4.342 3.594
71 HB2 ARG 13 HB2 ARG 13 13.552 5.980 4.384
72 HB3 ARG 13 HB3 ARG 13 14.268 6.186 2.791
73 HG2 ARG 13 HG2 ARG 13 12.359 4.982 1.805
74 HG3 ARG 13 HG3 ARG 13 11.634 4.867 3.410
75 HD2 ARG 13 HD2 ARG 13 12.383 7.476 2.105
76 HD3 ARG 13 HD3 ARG 13 10.784 6.745 1.965
77 HE ARG 13 HE ARG 13 11.684 7.075 4.677
78 HH11 ARG 13 HH11 ARG 13 10.063 8.576 1.987
79 HH12 ARG 13 HH12 ARG 13 9.186 9.699 2.973
80 HH21 ARG 13 HH21 ARG 13 10.536 8.549 5.987
81 HH22 ARG 13 HH22 ARG 13 9.457 9.683 5.248
82 HA PRO 14 HA PRO 14 14.222 2.284 7.279
83 HB2 PRO 14 HB2 PRO 14 14.680 4.176 9.172
84 HB3 PRO 14 HB3 PRO 14 15.980 3.335 8.320
85 HG2 PRO 14 HG2 PRO 14 14.829 6.051 7.811
86 HG3 PRO 14 HG3 PRO 14 16.527 5.539 7.819
87 HD2 PRO 14 HD2 PRO 14 15.119 5.881 5.532
88 HD3 PRO 14 HD3 PRO 14 16.405 4.667 5.689
89 H GLY 15 H GLY 15 12.056 1.863 7.301
90 HA2 GLY 15 HA2 GLY 15 10.108 2.215 8.719
91 HA3 GLY 15 HA3 GLY 15 10.343 3.944 8.506
92 H HIS 16 H HIS 16 10.993 2.901 5.559
93 HA HIS 16 HA HIS 16 8.351 2.278 4.598
94 HB2 HIS 16 HB2 HIS 16 9.516 5.022 4.318
95 HB3 HIS 16 HB3 HIS 16 8.524 4.372 3.016
96 HD1 HIS 16 HD1 HIS 16 6.121 3.297 4.111
97 HD2 HIS 16 HD2 HIS 16 8.018 6.452 6.036
98 HE1 HIS 16 HE1 HIS 16 4.357 4.363 5.553
99 H ARG 17 H ARG 17 9.513 0.466 3.799
100 HA ARG 17 HA ARG 17 11.501 0.986 1.720
101 HB2 ARG 17 HB2 ARG 17 10.594 -1.685 2.798
102 HB3 ARG 17 HB3 ARG 17 12.029 -1.357 1.835
103 HG2 ARG 17 HG2 ARG 17 12.586 0.237 3.871
104 HG3 ARG 17 HG3 ARG 17 11.528 -0.893 4.719
105 HD2 ARG 17 HD2 ARG 17 13.460 -2.224 2.997
106 HD3 ARG 17 HD3 ARG 17 14.223 -1.229 4.237
107 HE ARG 17 HE ARG 17 12.200 -2.779 5.418
108 HH11 ARG 17 HH11 ARG 17 15.341 -3.128 3.958
109 HH12 ARG 17 HH12 ARG 17 15.756 -4.537 4.877
110 HH21 ARG 17 HH21 ARG 17 12.734 -4.633 6.634
111 HH22 ARG 17 HH22 ARG 17 14.272 -5.393 6.399
112 H THR 18 H THR 18 11.355 -0.273 -0.309
113 HA THR 18 HA THR 18 8.621 -0.160 -1.333
114 HB THR 18 HB THR 18 9.535 -0.088 -3.520
115 HG1 THR 18 HG1 THR 18 11.223 -1.304 -3.881
116 HG21 THR 18 HG21 THR 18 11.646 1.439 -2.053
117 HG22 THR 18 HG22 THR 18 9.953 1.898 -1.868
118 HG23 THR 18 HG23 THR 18 10.701 1.907 -3.466
119 H CYS 19 H CYS 19 9.794 -2.387 0.354
120 HA CYS 19 HA CYS 19 9.333 -4.607 -1.527
121 HB2 CYS 19 HB2 CYS 19 10.928 -4.510 1.038
122 HB3 CYS 19 HB3 CYS 19 10.541 -6.004 0.191
123 H CYS 20 H CYS 20 7.926 -6.259 -0.961
124 HA CYS 20 HA CYS 20 5.797 -5.497 0.811
125 HB2 CYS 20 HB2 CYS 20 6.082 -7.210 -1.412
126 HB3 CYS 20 HB3 CYS 20 5.610 -8.235 -0.060
127 H ILE 21 H ILE 21 4.891 -7.645 2.059
128 HA ILE 21 HA ILE 21 6.522 -7.879 4.333
129 HB ILE 21 HB ILE 21 4.098 -8.181 4.435
130 HG12 ILE 21 HG12 ILE 21 5.575 -10.687 5.271
131 HG13 ILE 21 HG13 ILE 21 5.555 -9.179 6.178
132 HG21 ILE 21 HG21 ILE 21 4.217 -10.945 3.396
133 HG22 ILE 21 HG22 ILE 21 2.921 -9.753 3.308
134 HG23 ILE 21 HG23 ILE 21 4.294 -9.646 2.206
135 HD11 ILE 21 HD11 ILE 21 3.393 -11.185 5.788
136 HD12 ILE 21 HD12 ILE 21 3.950 -10.396 7.264
137 HD13 ILE 21 HD13 ILE 21 2.972 -9.502 6.101
138 H GLY 22 H GLY 22 7.830 -9.513 5.104
139 HA2 GLY 22 HA2 GLY 22 9.212 -11.351 5.044
140 HA3 GLY 22 HA3 GLY 22 8.159 -12.020 3.806
141 H LEU 23 H LEU 23 9.774 -8.926 3.496
142 HA LEU 23 HA LEU 23 11.683 -10.116 1.607
143 HB2 LEU 23 HB2 LEU 23 9.965 -7.688 1.123
144 HB3 LEU 23 HB3 LEU 23 11.315 -8.176 0.100
145 HG LEU 23 HG LEU 23 8.778 -9.749 0.546
146 HD11 LEU 23 HD11 LEU 23 8.848 -9.197 -2.084
147 HD12 LEU 23 HD12 LEU 23 9.613 -7.743 -1.445
148 HD13 LEU 23 HD13 LEU 23 8.001 -8.204 -0.898
149 HD21 LEU 23 HD21 LEU 23 11.378 -10.408 -0.650
150 HD22 LEU 23 HD22 LEU 23 9.978 -10.795 -1.651
151 HD23 LEU 23 HD23 LEU 23 10.112 -11.465 -0.024
152 H GLN 24 H GLN 24 13.398 -8.464 0.971
153 HA GLN 24 HA GLN 24 13.919 -6.424 2.969
154 HB2 GLN 24 HB2 GLN 24 14.916 -8.240 4.116
155 HB3 GLN 24 HB3 GLN 24 15.622 -8.886 2.640
156 HG2 GLN 24 HG2 GLN 24 17.370 -7.436 2.670
157 HG3 GLN 24 HG3 GLN 24 16.451 -6.170 3.483
158 HE21 GLN 24 HE21 GLN 24 17.506 -9.497 4.145
159 HE22 GLN 24 HE22 GLN 24 18.064 -9.181 5.749
160 H CYS 25 H CYS 25 15.370 -4.851 2.295
161 HA CYS 25 HA CYS 25 16.009 -4.940 -0.566
162 HB2 CYS 25 HB2 CYS 25 14.667 -3.035 0.149
163 HB3 CYS 25 HB3 CYS 25 15.875 -2.609 1.357
164 H ARG 26 H ARG 26 17.993 -5.618 -1.023
165 HA ARG 26 HA ARG 26 20.258 -4.398 0.331
166 HB2 ARG 26 HB2 ARG 26 19.839 -7.390 0.228
167 HB3 ARG 26 HB3 ARG 26 21.357 -6.615 0.663
168 HG2 ARG 26 HG2 ARG 26 18.785 -6.136 2.143
169 HG3 ARG 26 HG3 ARG 26 19.940 -7.397 2.580
170 HD2 ARG 26 HD2 ARG 26 21.559 -5.218 2.373
171 HD3 ARG 26 HD3 ARG 26 20.069 -4.492 2.974
172 HE ARG 26 HE ARG 26 20.409 -6.605 4.615
173 HH11 ARG 26 HH11 ARG 26 22.512 -4.018 3.610
174 HH12 ARG 26 HH12 ARG 26 23.414 -4.002 5.090
175 HH21 ARG 26 HH21 ARG 26 21.590 -6.593 6.567
176 HH22 ARG 26 HH22 ARG 26 22.889 -5.468 6.770
177 H TYR 27 H TYR 27 22.156 -4.400 -0.890
178 HA TYR 27 HA TYR 27 23.428 -4.384 -2.775
179 HB2 TYR 27 HB2 TYR 27 21.758 -6.659 -3.829
180 HB3 TYR 27 HB3 TYR 27 23.449 -6.300 -4.162
181 HD1 TYR 27 HD2 TYR 27 25.174 -6.773 -2.458
182 HD2 TYR 27 HD1 TYR 27 21.112 -7.901 -1.886
183 HE1 TYR 27 HE2 TYR 27 25.859 -8.306 -0.661
184 HE2 TYR 27 HE1 TYR 27 21.785 -9.436 -0.086
185 HH TYR 27 HH TYR 27 24.438 -9.317 1.535
186 H GLY 28 H GLY 28 21.103 -2.729 -2.632
187 HA2 GLY 28 HA2 GLY 28 19.966 -1.268 -3.992
188 HA3 GLY 28 HA3 GLY 28 20.977 -1.839 -5.311
189 H LYS 29 H LYS 29 19.306 -4.337 -3.753
190 HA LYS 29 HA LYS 29 16.987 -4.155 -5.519
191 HB2 LYS 29 HB2 LYS 29 19.227 -5.983 -5.888
192 HB3 LYS 29 HB3 LYS 29 17.695 -6.831 -5.724
193 HG2 LYS 29 HG2 LYS 29 16.800 -5.845 -7.626
194 HG3 LYS 29 HG3 LYS 29 17.970 -4.524 -7.609
195 HD2 LYS 29 HD2 LYS 29 18.870 -7.357 -7.989
196 HD3 LYS 29 HD3 LYS 29 18.239 -6.425 -9.348
197 HE2 LYS 29 HE2 LYS 29 20.309 -5.149 -7.649
198 HE3 LYS 29 HE3 LYS 29 20.823 -6.457 -8.712
199 HZ1 LYS 29 HZ1 LYS 29 19.439 -3.960 -9.527
200 HZ2 LYS 29 HZ2 LYS 29 19.796 -5.242 -10.571
201 HZ3 LYS 29 HZ3 LYS 29 21.050 -4.371 -9.843
202 H CYS 30 H CYS 30 15.395 -5.937 -5.036
203 HA CYS 30 HA CYS 30 15.264 -6.293 -2.134
204 HB2 CYS 30 HB2 CYS 30 13.373 -5.263 -3.568
205 HB3 CYS 30 HB3 CYS 30 13.042 -6.919 -4.063
206 H LEU 31 H LEU 31 14.938 -8.284 -1.161
207 HA LEU 31 HA LEU 31 14.896 -10.677 -2.820
208 HB2 LEU 31 HB2 LEU 31 16.773 -11.394 -0.966
209 HB3 LEU 31 HB3 LEU 31 17.097 -10.962 -2.644
210 HG LEU 31 HG LEU 31 17.056 -8.794 -0.601
211 HD11 LEU 31 HD11 LEU 31 18.616 -9.782 0.641
212 HD12 LEU 31 HD12 LEU 31 19.703 -9.560 -0.729
213 HD13 LEU 31 HD13 LEU 31 18.838 -11.083 -0.528
214 HD21 LEU 31 HD21 LEU 31 17.516 -8.854 -3.274
215 HD22 LEU 31 HD22 LEU 31 19.158 -8.986 -2.642
216 HD23 LEU 31 HD23 LEU 31 18.141 -7.621 -2.179
217 H VAL 32 H VAL 32 14.954 -12.678 -1.242
218 HA VAL 32 HA VAL 32 12.705 -12.354 0.505
219 HB VAL 32 HB VAL 32 12.880 -14.401 -0.746
220 HG11 VAL 32 HG11 VAL 32 15.024 -15.736 0.585
221 HG12 VAL 32 HG12 VAL 32 14.821 -15.404 -1.136
222 HG13 VAL 32 HG13 VAL 32 15.620 -14.223 -0.096
223 HG21 VAL 32 HG21 VAL 32 12.196 -14.284 1.835
224 HG22 VAL 32 HG22 VAL 32 12.140 -15.778 0.899
225 HG23 VAL 32 HG23 VAL 32 13.518 -15.446 1.949
226 H ARG 33 H ARG 33 12.835 -11.623 2.514
227 HA ARG 33 HA ARG 33 15.236 -11.289 3.937
228 HB2 ARG 33 HB2 ARG 33 13.254 -9.923 4.368
229 HB3 ARG 33 HB3 ARG 33 12.391 -11.338 4.955
230 HG2 ARG 33 HG2 ARG 33 14.092 -11.541 6.764
231 HG3 ARG 33 HG3 ARG 33 14.774 -10.007 6.219
232 HD2 ARG 33 HD2 ARG 33 13.079 -8.795 7.087
233 HD3 ARG 33 HD3 ARG 33 11.867 -10.012 6.688
234 HE ARG 33 HE ARG 33 13.422 -11.042 8.746
235 HH11 ARG 33 HH11 ARG 33 11.241 -8.381 8.218
236 HH12 ARG 33 HH12 ARG 33 10.711 -8.318 9.866
237 HH21 ARG 33 HH21 ARG 33 12.733 -10.969 10.919
238 HH22 ARG 33 HH22 ARG 33 11.561 -9.790 11.402
Start of MODEL 10
1 H1 ASP 1 H ASP 1 1.908 0.360 0.684
2 HA ASP 1 HA ASP 1 1.539 -0.581 -2.064
3 HB2 ASP 1 HB2 ASP 1 2.224 2.159 -1.231
4 HB3 ASP 1 HB3 ASP 1 3.293 1.478 -2.455
5 H CYS 2 H CYS 2 2.935 -2.176 -2.354
6 HA CYS 2 HA CYS 2 5.673 -1.866 -1.344
7 HB2 CYS 2 HB2 CYS 2 5.736 -4.152 -0.559
8 HB3 CYS 2 HB3 CYS 2 4.389 -3.323 0.213
9 H GLY 3 H GLY 3 7.190 -3.455 -2.376
10 HA2 GLY 3 HA2 GLY 3 6.504 -3.673 -5.225
11 HA3 GLY 3 HA3 GLY 3 8.130 -3.651 -4.560
12 H HIS 4 H HIS 4 8.299 -5.524 -6.081
13 HA HIS 4 HA HIS 4 7.057 -7.984 -5.153
14 HB2 HIS 4 HB2 HIS 4 9.080 -7.732 -7.374
15 HB3 HIS 4 HB3 HIS 4 7.873 -8.994 -7.137
16 HD1 HIS 4 HD1 HIS 4 8.231 -7.148 -9.723
17 HD2 HIS 4 HD2 HIS 4 5.358 -6.730 -6.751
18 HE1 HIS 4 HE1 HIS 4 6.331 -5.896 -10.795
19 H LEU 5 H LEU 5 8.803 -9.931 -5.441
20 HA LEU 5 HA LEU 5 10.507 -9.660 -3.171
21 HB2 LEU 5 HB2 LEU 5 9.684 -11.794 -3.376
22 HB3 LEU 5 HB3 LEU 5 9.876 -11.813 -5.128
23 HG LEU 5 HG LEU 5 12.288 -12.121 -4.863
24 HD11 LEU 5 HD11 LEU 5 13.334 -12.404 -2.759
25 HD12 LEU 5 HD12 LEU 5 11.789 -12.397 -1.910
26 HD13 LEU 5 HD13 LEU 5 12.392 -10.916 -2.654
27 HD21 LEU 5 HD21 LEU 5 11.310 -14.237 -3.081
28 HD22 LEU 5 HD22 LEU 5 12.071 -14.347 -4.669
29 HD23 LEU 5 HD23 LEU 5 10.347 -13.994 -4.539
30 H HIS 6 H HIS 6 11.127 -10.119 -6.645
31 HA HIS 6 HA HIS 6 13.943 -9.441 -6.201
32 HB2 HIS 6 HB2 HIS 6 12.531 -10.602 -8.610
33 HB3 HIS 6 HB3 HIS 6 14.249 -10.215 -8.555
34 HD1 HIS 6 HD1 HIS 6 15.320 -11.447 -6.148
35 HD2 HIS 6 HD2 HIS 6 12.234 -13.253 -8.264
36 HE1 HIS 6 HE1 HIS 6 15.392 -13.876 -5.500
37 H ASP 7 H ASP 7 11.632 -7.527 -6.208
38 HA ASP 7 HA ASP 7 12.074 -5.933 -8.591
39 HB2 ASP 7 HB2 ASP 7 10.013 -6.162 -6.622
40 HB3 ASP 7 HB3 ASP 7 10.570 -4.492 -6.657
41 HA PRO 8 HA PRO 8 15.135 -3.226 -6.996
42 HB2 PRO 8 HB2 PRO 8 14.432 -0.873 -8.154
43 HB3 PRO 8 HB3 PRO 8 15.149 -2.212 -9.058
44 HG2 PRO 8 HG2 PRO 8 12.275 -1.407 -8.828
45 HG3 PRO 8 HG3 PRO 8 13.183 -1.917 -10.263
46 HD2 PRO 8 HD2 PRO 8 11.531 -3.586 -8.914
47 HD3 PRO 8 HD3 PRO 8 12.996 -4.154 -9.740
48 H CYS 9 H CYS 9 15.524 -1.418 -5.597
49 HA CYS 9 HA CYS 9 13.217 -0.195 -4.305
50 HB2 CYS 9 HB2 CYS 9 14.154 -0.764 -2.037
51 HB3 CYS 9 HB3 CYS 9 13.484 -2.130 -2.924
52 HA PRO 10 HA PRO 10 16.961 2.543 -4.916
53 HB2 PRO 10 HB2 PRO 10 15.656 4.461 -6.326
54 HB3 PRO 10 HB3 PRO 10 16.402 3.051 -7.086
55 HG2 PRO 10 HG2 PRO 10 13.533 3.522 -6.375
56 HG3 PRO 10 HG3 PRO 10 14.218 2.814 -7.849
57 HD2 PRO 10 HD2 PRO 10 13.169 1.306 -5.859
58 HD3 PRO 10 HD3 PRO 10 14.521 0.751 -6.867
59 H ASN 11 H ASN 11 13.599 3.205 -4.066
60 HA ASN 11 HA ASN 11 14.405 5.518 -2.472
61 HB2 ASN 11 HB2 ASN 11 11.751 4.435 -3.385
62 HB3 ASN 11 HB3 ASN 11 11.844 5.624 -2.089
63 HD21 ASN 11 HD21 ASN 11 11.825 5.111 -5.424
64 HD22 ASN 11 HD22 ASN 11 12.161 6.730 -5.925
65 H ASP 12 H ASP 12 15.183 2.826 -1.690
66 HA ASP 12 HA ASP 12 13.534 1.897 0.424
67 HB2 ASP 12 HB2 ASP 12 15.010 0.294 -0.443
68 HB3 ASP 12 HB3 ASP 12 16.386 1.392 -0.379
69 H ARG 13 H ARG 13 13.177 2.858 2.302
70 HA ARG 13 HA ARG 13 15.379 4.301 3.602
71 HB2 ARG 13 HB2 ARG 13 13.507 5.915 4.414
72 HB3 ARG 13 HB3 ARG 13 14.196 6.133 2.811
73 HG2 ARG 13 HG2 ARG 13 12.278 4.847 1.883
74 HG3 ARG 13 HG3 ARG 13 11.569 4.841 3.499
75 HD2 ARG 13 HD2 ARG 13 12.355 7.504 2.809
76 HD3 ARG 13 HD3 ARG 13 11.365 6.833 1.514
77 HE ARG 13 HE ARG 13 9.550 6.823 2.934
78 HH11 ARG 13 HH11 ARG 13 12.457 7.514 4.721
79 HH12 ARG 13 HH12 ARG 13 11.616 7.980 6.162
80 HH21 ARG 13 HH21 ARG 13 8.431 7.433 4.826
81 HH22 ARG 13 HH22 ARG 13 9.326 7.932 6.221
82 HA PRO 14 HA PRO 14 14.234 2.201 7.279
83 HB2 PRO 14 HB2 PRO 14 14.687 4.084 9.182
84 HB3 PRO 14 HB3 PRO 14 15.990 3.262 8.314
85 HG2 PRO 14 HG2 PRO 14 14.806 5.970 7.835
86 HG3 PRO 14 HG3 PRO 14 16.509 5.476 7.826
87 HD2 PRO 14 HD2 PRO 14 15.080 5.821 5.552
88 HD3 PRO 14 HD3 PRO 14 16.380 4.619 5.690
89 H GLY 15 H GLY 15 12.074 1.755 7.321
90 HA2 GLY 15 HA2 GLY 15 10.136 2.080 8.759
91 HA3 GLY 15 HA3 GLY 15 10.348 3.812 8.548
92 H HIS 16 H HIS 16 10.984 2.846 5.592
93 HA HIS 16 HA HIS 16 8.349 2.161 4.646
94 HB2 HIS 16 HB2 HIS 16 9.453 4.934 4.371
95 HB3 HIS 16 HB3 HIS 16 8.430 4.273 3.099
96 HD1 HIS 16 HD1 HIS 16 5.954 3.622 3.829
97 HD2 HIS 16 HD2 HIS 16 8.121 5.847 6.588
98 HE1 HIS 16 HE1 HIS 16 4.254 4.524 5.448
99 H ARG 17 H ARG 17 9.545 0.390 3.808
100 HA ARG 17 HA ARG 17 11.498 0.991 1.716
101 HB2 ARG 17 HB2 ARG 17 10.676 -1.696 2.830
102 HB3 ARG 17 HB3 ARG 17 12.045 -1.371 1.774
103 HG2 ARG 17 HG2 ARG 17 12.844 0.189 3.667
104 HG3 ARG 17 HG3 ARG 17 11.697 -0.706 4.666
105 HD2 ARG 17 HD2 ARG 17 13.817 -2.037 2.994
106 HD3 ARG 17 HD3 ARG 17 14.074 -1.559 4.672
107 HE ARG 17 HE ARG 17 12.524 -3.791 3.716
108 HH11 ARG 17 HH11 ARG 17 13.071 -1.584 6.353
109 HH12 ARG 17 HH12 ARG 17 12.411 -2.646 7.551
110 HH21 ARG 17 HH21 ARG 17 11.652 -5.199 5.285
111 HH22 ARG 17 HH22 ARG 17 11.604 -4.703 6.942
112 H THR 18 H THR 18 11.366 -0.302 -0.313
113 HA THR 18 HA THR 18 8.627 -0.213 -1.322
114 HB THR 18 HB THR 18 9.530 -0.147 -3.516
115 HG1 THR 18 HG1 THR 18 11.136 -1.599 -3.626
116 HG21 THR 18 HG21 THR 18 9.933 1.853 -1.880
117 HG22 THR 18 HG22 THR 18 10.679 1.859 -3.479
118 HG23 THR 18 HG23 THR 18 11.629 1.409 -2.063
119 H CYS 19 H CYS 19 9.821 -2.423 0.369
120 HA CYS 19 HA CYS 19 9.372 -4.655 -1.500
121 HB2 CYS 19 HB2 CYS 19 10.967 -4.534 1.064
122 HB3 CYS 19 HB3 CYS 19 10.591 -6.035 0.224
123 H CYS 20 H CYS 20 7.969 -6.306 -0.933
124 HA CYS 20 HA CYS 20 5.839 -5.552 0.840
125 HB2 CYS 20 HB2 CYS 20 6.133 -7.272 -1.376
126 HB3 CYS 20 HB3 CYS 20 5.667 -8.295 -0.021
127 H ILE 21 H ILE 21 4.951 -7.731 2.077
128 HA ILE 21 HA ILE 21 6.578 -7.937 4.361
129 HB ILE 21 HB ILE 21 4.164 -8.265 4.474
130 HG12 ILE 21 HG12 ILE 21 5.460 -10.873 5.250
131 HG13 ILE 21 HG13 ILE 21 5.806 -9.372 6.102
132 HG21 ILE 21 HG21 ILE 21 4.156 -9.540 2.237
133 HG22 ILE 21 HG22 ILE 21 4.476 -10.967 3.222
134 HG23 ILE 21 HG23 ILE 21 3.008 -10.026 3.485
135 HD11 ILE 21 HD11 ILE 21 3.610 -11.164 6.418
136 HD12 ILE 21 HD12 ILE 21 4.040 -9.745 7.373
137 HD13 ILE 21 HD13 ILE 21 3.011 -9.573 5.951
138 H GLY 22 H GLY 22 7.889 -9.567 5.143
139 HA2 GLY 22 HA2 GLY 22 9.302 -11.380 5.084
140 HA3 GLY 22 HA3 GLY 22 8.252 -12.069 3.855
141 H LEU 23 H LEU 23 9.840 -8.962 3.525
142 HA LEU 23 HA LEU 23 11.742 -10.144 1.624
143 HB2 LEU 23 HB2 LEU 23 10.003 -7.729 1.155
144 HB3 LEU 23 HB3 LEU 23 11.357 -8.195 0.126
145 HG LEU 23 HG LEU 23 8.836 -9.796 0.569
146 HD11 LEU 23 HD11 LEU 23 8.900 -9.242 -2.059
147 HD12 LEU 23 HD12 LEU 23 9.660 -7.784 -1.423
148 HD13 LEU 23 HD13 LEU 23 8.050 -8.251 -0.873
149 HD21 LEU 23 HD21 LEU 23 10.191 -11.498 0.004
150 HD22 LEU 23 HD22 LEU 23 11.443 -10.429 -0.630
151 HD23 LEU 23 HD23 LEU 23 10.043 -10.835 -1.624
152 H GLN 24 H GLN 24 13.446 -8.486 0.977
153 HA GLN 24 HA GLN 24 13.974 -6.445 2.973
154 HB2 GLN 24 HB2 GLN 24 14.983 -8.264 4.108
155 HB3 GLN 24 HB3 GLN 24 15.689 -8.896 2.627
156 HG2 GLN 24 HG2 GLN 24 17.429 -7.438 2.663
157 HG3 GLN 24 HG3 GLN 24 16.501 -6.178 3.475
158 HE21 GLN 24 HE21 GLN 24 17.572 -9.499 4.142
159 HE22 GLN 24 HE22 GLN 24 18.129 -9.178 5.745
160 H CYS 25 H CYS 25 15.418 -4.867 2.290
161 HA CYS 25 HA CYS 25 16.036 -4.952 -0.575
162 HB2 CYS 25 HB2 CYS 25 14.689 -3.053 0.157
163 HB3 CYS 25 HB3 CYS 25 15.912 -2.619 1.347
164 H ARG 26 H ARG 26 18.020 -5.623 -1.045
165 HA ARG 26 HA ARG 26 20.290 -4.391 0.291
166 HB2 ARG 26 HB2 ARG 26 19.883 -7.385 0.201
167 HB3 ARG 26 HB3 ARG 26 21.399 -6.601 0.626
168 HG2 ARG 26 HG2 ARG 26 18.831 -6.136 2.116
169 HG3 ARG 26 HG3 ARG 26 19.999 -7.384 2.553
170 HD2 ARG 26 HD2 ARG 26 21.589 -5.179 2.321
171 HD3 ARG 26 HD3 ARG 26 20.097 -4.483 2.949
172 HE ARG 26 HE ARG 26 20.684 -6.733 4.479
173 HH11 ARG 26 HH11 ARG 26 22.044 -3.599 3.807
174 HH12 ARG 26 HH12 ARG 26 22.808 -3.454 5.355
175 HH21 ARG 26 HH21 ARG 26 21.684 -6.553 6.521
176 HH22 ARG 26 HH22 ARG 26 22.603 -5.135 6.898
177 H TYR 27 H TYR 27 22.183 -4.397 -0.940
178 HA TYR 27 HA TYR 27 23.442 -4.385 -2.833
179 HB2 TYR 27 HB2 TYR 27 21.766 -6.662 -3.872
180 HB3 TYR 27 HB3 TYR 27 23.454 -6.303 -4.217
181 HD1 TYR 27 HD2 TYR 27 25.191 -6.772 -2.523
182 HD2 TYR 27 HD1 TYR 27 21.132 -7.900 -1.923
183 HE1 TYR 27 HE2 TYR 27 25.887 -8.302 -0.727
184 HE2 TYR 27 HE1 TYR 27 21.817 -9.432 -0.125
185 HH TYR 27 HH TYR 27 24.153 -9.388 1.539
186 H GLY 28 H GLY 28 21.119 -2.730 -2.679
187 HA2 GLY 28 HA2 GLY 28 19.973 -1.271 -4.034
188 HA3 GLY 28 HA3 GLY 28 20.975 -1.845 -5.359
189 H LYS 29 H LYS 29 19.316 -4.341 -3.787
190 HA LYS 29 HA LYS 29 16.983 -4.162 -5.533
191 HB2 LYS 29 HB2 LYS 29 19.220 -5.989 -5.919
192 HB3 LYS 29 HB3 LYS 29 17.690 -6.837 -5.743
193 HG2 LYS 29 HG2 LYS 29 16.783 -5.861 -7.641
194 HG3 LYS 29 HG3 LYS 29 17.941 -4.529 -7.628
195 HD2 LYS 29 HD2 LYS 29 19.505 -6.819 -7.849
196 HD3 LYS 29 HD3 LYS 29 18.120 -7.123 -8.900
197 HE2 LYS 29 HE2 LYS 29 19.704 -4.566 -8.980
198 HE3 LYS 29 HE3 LYS 29 20.112 -5.972 -9.962
199 HZ1 LYS 29 HZ1 LYS 29 17.446 -5.612 -10.394
200 HZ2 LYS 29 HZ2 LYS 29 18.691 -5.146 -11.439
201 HZ3 LYS 29 HZ3 LYS 29 18.047 -4.031 -10.342
202 H CYS 30 H CYS 30 15.409 -5.970 -5.043
203 HA CYS 30 HA CYS 30 15.294 -6.314 -2.138
204 HB2 CYS 30 HB2 CYS 30 13.390 -5.296 -3.567
205 HB3 CYS 30 HB3 CYS 30 13.061 -6.957 -4.046
206 H LEU 31 H LEU 31 14.967 -8.306 -1.161
207 HA LEU 31 HA LEU 31 14.926 -10.702 -2.812
208 HB2 LEU 31 HB2 LEU 31 16.826 -11.399 -0.967
209 HB3 LEU 31 HB3 LEU 31 17.127 -10.992 -2.655
210 HG LEU 31 HG LEU 31 17.117 -8.807 -0.624
211 HD11 LEU 31 HD11 LEU 31 19.067 -11.022 -0.792
212 HD12 LEU 31 HD12 LEU 31 18.626 -9.995 0.572
213 HD13 LEU 31 HD13 LEU 31 19.723 -9.389 -0.669
214 HD21 LEU 31 HD21 LEU 31 18.045 -9.277 -3.367
215 HD22 LEU 31 HD22 LEU 31 19.182 -8.402 -2.341
216 HD23 LEU 31 HD23 LEU 31 17.547 -7.783 -2.574
217 H VAL 32 H VAL 32 15.008 -12.699 -1.231
218 HA VAL 32 HA VAL 32 12.775 -12.380 0.537
219 HB VAL 32 HB VAL 32 12.950 -14.431 -0.708
220 HG11 VAL 32 HG11 VAL 32 15.696 -14.237 -0.077
221 HG12 VAL 32 HG12 VAL 32 15.110 -15.756 0.603
222 HG13 VAL 32 HG13 VAL 32 14.896 -15.417 -1.115
223 HG21 VAL 32 HG21 VAL 32 12.631 -16.040 1.046
224 HG22 VAL 32 HG22 VAL 32 13.536 -15.045 2.186
225 HG23 VAL 32 HG23 VAL 32 11.975 -14.493 1.581
226 H ARG 33 H ARG 33 12.917 -11.645 2.543
227 HA ARG 33 HA ARG 33 15.304 -11.243 3.946
228 HB2 ARG 33 HB2 ARG 33 13.070 -10.108 4.334
229 HB3 ARG 33 HB3 ARG 33 12.583 -11.552 5.211
230 HG2 ARG 33 HG2 ARG 33 14.482 -11.208 6.755
231 HG3 ARG 33 HG3 ARG 33 14.854 -9.704 5.910
232 HD2 ARG 33 HD2 ARG 33 12.755 -8.751 6.545
233 HD3 ARG 33 HD3 ARG 33 12.191 -10.292 7.190
234 HE ARG 33 HE ARG 33 14.564 -9.423 8.494
235 HH11 ARG 33 HH11 ARG 33 11.125 -8.907 8.342
236 HH12 ARG 33 HH12 ARG 33 11.006 -8.340 9.974
237 HH21 ARG 33 HH21 ARG 33 14.420 -8.678 10.645
238 HH22 ARG 33 HH22 ARG 33 12.881 -8.209 11.284
Start of MODEL 11
1 H1 ASP 1 H ASP 1 0.905 -0.817 0.034
2 HA ASP 1 HA ASP 1 1.842 0.139 -2.582
3 HB2 ASP 1 HB2 ASP 1 1.006 1.728 -0.705
4 HB3 ASP 1 HB3 ASP 1 2.566 1.404 0.046
5 H CYS 2 H CYS 2 2.772 -2.294 -2.172
6 HA CYS 2 HA CYS 2 5.547 -1.887 -1.267
7 HB2 CYS 2 HB2 CYS 2 5.628 -4.190 -0.526
8 HB3 CYS 2 HB3 CYS 2 4.263 -3.387 0.244
9 H GLY 3 H GLY 3 7.102 -3.440 -2.300
10 HA2 GLY 3 HA2 GLY 3 6.480 -3.598 -5.165
11 HA3 GLY 3 HA3 GLY 3 8.090 -3.602 -4.460
12 H HIS 4 H HIS 4 8.251 -5.436 -6.049
13 HA HIS 4 HA HIS 4 6.996 -7.913 -5.184
14 HB2 HIS 4 HB2 HIS 4 9.023 -7.618 -7.395
15 HB3 HIS 4 HB3 HIS 4 7.807 -8.876 -7.193
16 HD1 HIS 4 HD1 HIS 4 8.186 -6.962 -9.728
17 HD2 HIS 4 HD2 HIS 4 5.304 -6.611 -6.756
18 HE1 HIS 4 HE1 HIS 4 6.298 -5.671 -10.772
19 H LEU 5 H LEU 5 8.736 -9.860 -5.523
20 HA LEU 5 HA LEU 5 10.436 -9.655 -3.243
21 HB2 LEU 5 HB2 LEU 5 9.600 -11.780 -3.514
22 HB3 LEU 5 HB3 LEU 5 9.812 -11.753 -5.263
23 HG LEU 5 HG LEU 5 12.218 -12.078 -4.981
24 HD11 LEU 5 HD11 LEU 5 13.239 -12.423 -2.871
25 HD12 LEU 5 HD12 LEU 5 11.684 -12.417 -2.040
26 HD13 LEU 5 HD13 LEU 5 12.311 -10.928 -2.746
27 HD21 LEU 5 HD21 LEU 5 12.035 -14.320 -4.769
28 HD22 LEU 5 HD22 LEU 5 10.310 -13.956 -4.801
29 HD23 LEU 5 HD23 LEU 5 11.129 -14.216 -3.260
30 H HIS 6 H HIS 6 11.064 -10.029 -6.726
31 HA HIS 6 HA HIS 6 13.882 -9.373 -6.258
32 HB2 HIS 6 HB2 HIS 6 12.464 -10.460 -8.698
33 HB3 HIS 6 HB3 HIS 6 14.181 -10.073 -8.640
34 HD1 HIS 6 HD1 HIS 6 15.277 -11.374 -6.289
35 HD2 HIS 6 HD2 HIS 6 12.160 -13.117 -8.411
36 HE1 HIS 6 HE1 HIS 6 15.353 -13.819 -5.707
37 H ASP 7 H ASP 7 11.581 -7.448 -6.212
38 HA ASP 7 HA ASP 7 12.046 -5.783 -8.543
39 HB2 ASP 7 HB2 ASP 7 9.962 -6.069 -6.603
40 HB3 ASP 7 HB3 ASP 7 10.519 -4.398 -6.588
41 HA PRO 8 HA PRO 8 15.085 -3.126 -6.826
42 HB2 PRO 8 HB2 PRO 8 14.390 -0.735 -7.907
43 HB3 PRO 8 HB3 PRO 8 15.117 -2.040 -8.851
44 HG2 PRO 8 HG2 PRO 8 12.240 -1.246 -8.618
45 HG3 PRO 8 HG3 PRO 8 13.160 -1.705 -10.063
46 HD2 PRO 8 HD2 PRO 8 11.499 -3.422 -8.788
47 HD3 PRO 8 HD3 PRO 8 12.972 -3.959 -9.621
48 H CYS 9 H CYS 9 15.439 -1.251 -5.444
49 HA CYS 9 HA CYS 9 13.127 -0.113 -4.108
50 HB2 CYS 9 HB2 CYS 9 14.028 -0.752 -1.847
51 HB3 CYS 9 HB3 CYS 9 13.379 -2.093 -2.785
52 HA PRO 10 HA PRO 10 16.895 2.625 -4.589
53 HB2 PRO 10 HB2 PRO 10 15.627 4.577 -5.985
54 HB3 PRO 10 HB3 PRO 10 16.386 3.181 -6.759
55 HG2 PRO 10 HG2 PRO 10 13.503 3.647 -6.102
56 HG3 PRO 10 HG3 PRO 10 14.219 2.968 -7.575
57 HD2 PRO 10 HD2 PRO 10 13.121 1.422 -5.643
58 HD3 PRO 10 HD3 PRO 10 14.494 0.883 -6.632
59 H ASN 11 H ASN 11 13.519 3.267 -3.788
60 HA ASN 11 HA ASN 11 14.288 5.554 -2.140
61 HB2 ASN 11 HB2 ASN 11 11.675 4.485 -3.157
62 HB3 ASN 11 HB3 ASN 11 11.700 5.588 -1.784
63 HD21 ASN 11 HD21 ASN 11 12.508 5.212 -5.167
64 HD22 ASN 11 HD22 ASN 11 12.550 6.899 -5.541
65 H ASP 12 H ASP 12 15.075 2.856 -1.392
66 HA ASP 12 HA ASP 12 13.401 1.887 0.686
67 HB2 ASP 12 HB2 ASP 12 14.882 0.295 -0.191
68 HB3 ASP 12 HB3 ASP 12 16.258 1.392 -0.105
69 H ARG 13 H ARG 13 13.028 2.816 2.577
70 HA ARG 13 HA ARG 13 15.220 4.228 3.925
71 HB2 ARG 13 HB2 ARG 13 13.335 5.835 4.740
72 HB3 ARG 13 HB3 ARG 13 14.066 6.085 3.160
73 HG2 ARG 13 HG2 ARG 13 12.176 4.895 2.124
74 HG3 ARG 13 HG3 ARG 13 11.435 4.733 3.717
75 HD2 ARG 13 HD2 ARG 13 10.388 6.638 3.086
76 HD3 ARG 13 HD3 ARG 13 11.864 7.373 3.709
77 HE ARG 13 HE ARG 13 12.098 6.714 0.949
78 HH11 ARG 13 HH11 ARG 13 10.765 9.052 3.157
79 HH12 ARG 13 HH12 ARG 13 10.787 10.346 2.005
80 HH21 ARG 13 HH21 ARG 13 12.132 8.409 -0.577
81 HH22 ARG 13 HH22 ARG 13 11.563 9.979 -0.119
82 HA PRO 14 HA PRO 14 14.012 2.081 7.555
83 HB2 PRO 14 HB2 PRO 14 14.446 3.932 9.493
84 HB3 PRO 14 HB3 PRO 14 15.757 3.119 8.631
85 HG2 PRO 14 HG2 PRO 14 14.592 5.839 8.176
86 HG3 PRO 14 HG3 PRO 14 16.293 5.337 8.184
87 HD2 PRO 14 HD2 PRO 14 14.899 5.722 5.895
88 HD3 PRO 14 HD3 PRO 14 16.191 4.512 6.034
89 H GLY 15 H GLY 15 11.851 1.643 7.562
90 HA2 GLY 15 HA2 GLY 15 9.894 1.956 8.977
91 HA3 GLY 15 HA3 GLY 15 10.115 3.690 8.792
92 H HIS 16 H HIS 16 10.790 2.716 5.833
93 HA HIS 16 HA HIS 16 8.162 2.074 4.844
94 HB2 HIS 16 HB2 HIS 16 8.359 4.662 5.294
95 HB3 HIS 16 HB3 HIS 16 9.262 4.646 3.783
96 HD1 HIS 16 HD1 HIS 16 5.888 3.410 5.045
97 HD2 HIS 16 HD2 HIS 16 7.678 4.921 1.613
98 HE1 HIS 16 HE1 HIS 16 4.031 3.643 3.365
99 H ARG 17 H ARG 17 9.359 0.299 4.012
100 HA ARG 17 HA ARG 17 11.350 0.897 1.956
101 HB2 ARG 17 HB2 ARG 17 10.475 -1.788 3.034
102 HB3 ARG 17 HB3 ARG 17 11.859 -1.477 1.995
103 HG2 ARG 17 HG2 ARG 17 12.685 0.042 3.893
104 HG3 ARG 17 HG3 ARG 17 11.489 -0.795 4.884
105 HD2 ARG 17 HD2 ARG 17 12.946 -2.735 3.398
106 HD3 ARG 17 HD3 ARG 17 14.099 -1.643 4.163
107 HE ARG 17 HE ARG 17 12.167 -2.384 6.054
108 HH11 ARG 17 HH11 ARG 17 14.797 -3.768 4.241
109 HH12 ARG 17 HH12 ARG 17 15.164 -4.966 5.437
110 HH21 ARG 17 HH21 ARG 17 12.641 -3.957 7.637
111 HH22 ARG 17 HH22 ARG 17 13.936 -5.073 7.369
112 H THR 18 H THR 18 11.235 -0.329 -0.099
113 HA THR 18 HA THR 18 8.508 -0.227 -1.140
114 HB THR 18 HB THR 18 9.438 -0.108 -3.321
115 HG1 THR 18 HG1 THR 18 11.660 -1.257 -2.078
116 HG21 THR 18 HG21 THR 18 9.814 1.853 -1.624
117 HG22 THR 18 HG22 THR 18 10.560 1.907 -3.222
118 HG23 THR 18 HG23 THR 18 11.514 1.428 -1.818
119 H CYS 19 H CYS 19 9.690 -2.472 0.513
120 HA CYS 19 HA CYS 19 9.274 -4.661 -1.414
121 HB2 CYS 19 HB2 CYS 19 10.841 -4.584 1.168
122 HB3 CYS 19 HB3 CYS 19 10.469 -6.075 0.307
123 H CYS 20 H CYS 20 7.863 -6.323 -0.912
124 HA CYS 20 HA CYS 20 5.700 -5.621 0.835
125 HB2 CYS 20 HB2 CYS 20 6.063 -7.323 -1.390
126 HB3 CYS 20 HB3 CYS 20 5.566 -8.354 -0.053
127 H ILE 21 H ILE 21 4.829 -7.894 1.980
128 HA ILE 21 HA ILE 21 6.397 -8.084 4.316
129 HB ILE 21 HB ILE 21 3.983 -8.456 4.354
130 HG12 ILE 21 HG12 ILE 21 3.962 -10.463 5.786
131 HG13 ILE 21 HG13 ILE 21 5.555 -10.907 5.184
132 HG21 ILE 21 HG21 ILE 21 4.079 -11.199 3.349
133 HG22 ILE 21 HG22 ILE 21 2.892 -9.927 3.067
134 HG23 ILE 21 HG23 ILE 21 4.378 -9.972 2.118
135 HD11 ILE 21 HD11 ILE 21 4.923 -9.300 7.393
136 HD12 ILE 21 HD12 ILE 21 6.517 -9.660 6.730
137 HD13 ILE 21 HD13 ILE 21 5.635 -8.235 6.181
138 H GLY 22 H GLY 22 7.687 -9.734 5.120
139 HA2 GLY 22 HA2 GLY 22 9.159 -11.496 5.055
140 HA3 GLY 22 HA3 GLY 22 8.131 -12.203 3.818
141 H LEU 23 H LEU 23 9.681 -9.070 3.520
142 HA LEU 23 HA LEU 23 11.596 -10.215 1.608
143 HB2 LEU 23 HB2 LEU 23 9.812 -7.827 1.186
144 HB3 LEU 23 HB3 LEU 23 11.210 -8.192 0.176
145 HG LEU 23 HG LEU 23 8.737 -9.896 0.477
146 HD11 LEU 23 HD11 LEU 23 7.996 -8.267 -0.921
147 HD12 LEU 23 HD12 LEU 23 8.813 -9.285 -2.106
148 HD13 LEU 23 HD13 LEU 23 9.616 -7.847 -1.476
149 HD21 LEU 23 HD21 LEU 23 11.404 -10.408 -0.655
150 HD22 LEU 23 HD22 LEU 23 10.044 -10.847 -1.689
151 HD23 LEU 23 HD23 LEU 23 10.181 -11.535 -0.069
152 H GLN 24 H GLN 24 13.292 -8.531 0.990
153 HA GLN 24 HA GLN 24 13.818 -6.538 3.034
154 HB2 GLN 24 HB2 GLN 24 14.834 -8.396 4.111
155 HB3 GLN 24 HB3 GLN 24 15.557 -8.962 2.611
156 HG2 GLN 24 HG2 GLN 24 17.275 -7.482 2.712
157 HG3 GLN 24 HG3 GLN 24 16.325 -6.266 3.565
158 HE21 GLN 24 HE21 GLN 24 17.321 -9.624 4.162
159 HE22 GLN 24 HE22 GLN 24 17.910 -9.343 5.762
160 H CYS 25 H CYS 25 15.288 -4.953 2.399
161 HA CYS 25 HA CYS 25 15.870 -4.946 -0.476
162 HB2 CYS 25 HB2 CYS 25 14.549 -3.060 0.333
163 HB3 CYS 25 HB3 CYS 25 15.787 -2.678 1.525
164 H ARG 26 H ARG 26 17.843 -5.606 -0.998
165 HA ARG 26 HA ARG 26 20.137 -4.450 0.367
166 HB2 ARG 26 HB2 ARG 26 19.696 -7.432 0.142
167 HB3 ARG 26 HB3 ARG 26 21.232 -6.689 0.568
168 HG2 ARG 26 HG2 ARG 26 18.712 -6.232 2.138
169 HG3 ARG 26 HG3 ARG 26 19.841 -7.545 2.483
170 HD2 ARG 26 HD2 ARG 26 21.606 -5.605 2.479
171 HD3 ARG 26 HD3 ARG 26 20.193 -4.600 2.796
172 HE ARG 26 HE ARG 26 20.136 -6.745 4.577
173 HH11 ARG 26 HH11 ARG 26 22.090 -3.946 3.892
174 HH12 ARG 26 HH12 ARG 26 22.622 -3.755 5.530
175 HH21 ARG 26 HH21 ARG 26 20.830 -6.504 6.737
176 HH22 ARG 26 HH22 ARG 26 21.906 -5.211 7.147
177 H TYR 27 H TYR 27 22.013 -4.402 -0.885
178 HA TYR 27 HA TYR 27 23.252 -4.303 -2.790
179 HB2 TYR 27 HB2 TYR 27 21.546 -6.535 -3.886
180 HB3 TYR 27 HB3 TYR 27 23.215 -6.148 -4.288
181 HD1 TYR 27 HD2 TYR 27 25.032 -6.723 -2.740
182 HD2 TYR 27 HD1 TYR 27 21.002 -7.813 -1.919
183 HE1 TYR 27 HE2 TYR 27 25.816 -8.323 -1.044
184 HE2 TYR 27 HE1 TYR 27 21.775 -9.415 -0.220
185 HH TYR 27 HH TYR 27 24.475 -9.391 1.235
186 H GLY 28 H GLY 28 20.952 -2.639 -2.534
187 HA2 GLY 28 HA2 GLY 28 19.805 -1.110 -3.807
188 HA3 GLY 28 HA3 GLY 28 20.773 -1.643 -5.174
189 H LYS 29 H LYS 29 19.117 -4.184 -3.678
190 HA LYS 29 HA LYS 29 16.763 -3.906 -5.391
191 HB2 LYS 29 HB2 LYS 29 18.954 -5.798 -5.800
192 HB3 LYS 29 HB3 LYS 29 17.384 -6.582 -5.679
193 HG2 LYS 29 HG2 LYS 29 16.586 -5.592 -7.588
194 HG3 LYS 29 HG3 LYS 29 17.688 -4.219 -7.466
195 HD2 LYS 29 HD2 LYS 29 19.188 -6.648 -7.743
196 HD3 LYS 29 HD3 LYS 29 17.986 -6.538 -9.030
197 HE2 LYS 29 HE2 LYS 29 19.040 -4.826 -10.029
198 HE3 LYS 29 HE3 LYS 29 19.403 -4.033 -8.497
199 HZ1 LYS 29 HZ1 LYS 29 21.120 -5.920 -8.254
200 HZ2 LYS 29 HZ2 LYS 29 21.476 -4.618 -9.273
201 HZ3 LYS 29 HZ3 LYS 29 20.952 -6.086 -9.930
202 H CYS 30 H CYS 30 15.341 -6.013 -4.995
203 HA CYS 30 HA CYS 30 15.150 -6.288 -2.073
204 HB2 CYS 30 HB2 CYS 30 13.240 -5.269 -3.496
205 HB3 CYS 30 HB3 CYS 30 12.930 -6.929 -3.996
206 H LEU 31 H LEU 31 14.784 -8.307 -1.135
207 HA LEU 31 HA LEU 31 14.812 -10.670 -2.831
208 HB2 LEU 31 HB2 LEU 31 16.675 -11.397 -0.970
209 HB3 LEU 31 HB3 LEU 31 17.016 -10.926 -2.633
210 HG LEU 31 HG LEU 31 16.927 -8.819 -0.522
211 HD11 LEU 31 HD11 LEU 31 19.580 -9.473 -0.661
212 HD12 LEU 31 HD12 LEU 31 18.801 -11.054 -0.604
213 HD13 LEU 31 HD13 LEU 31 18.493 -9.874 0.670
214 HD21 LEU 31 HD21 LEU 31 17.496 -8.910 -3.249
215 HD22 LEU 31 HD22 LEU 31 19.063 -8.733 -2.459
216 HD23 LEU 31 HD23 LEU 31 17.779 -7.564 -2.146
217 H VAL 32 H VAL 32 14.877 -12.696 -1.285
218 HA VAL 32 HA VAL 32 12.611 -12.413 0.455
219 HB VAL 32 HB VAL 32 12.781 -14.425 -0.853
220 HG11 VAL 32 HG11 VAL 32 14.732 -15.388 -1.282
221 HG12 VAL 32 HG12 VAL 32 15.525 -14.288 -0.152
222 HG13 VAL 32 HG13 VAL 32 14.896 -15.835 0.416
223 HG21 VAL 32 HG21 VAL 32 11.871 -14.471 1.530
224 HG22 VAL 32 HG22 VAL 32 12.282 -16.021 0.797
225 HG23 VAL 32 HG23 VAL 32 13.377 -15.280 1.964
226 H ARG 33 H ARG 33 12.741 -11.742 2.485
227 HA ARG 33 HA ARG 33 15.132 -11.436 3.921
228 HB2 ARG 33 HB2 ARG 33 13.234 -10.082 4.481
229 HB3 ARG 33 HB3 ARG 33 12.255 -11.500 4.831
230 HG2 ARG 33 HG2 ARG 33 13.348 -11.913 6.842
231 HG3 ARG 33 HG3 ARG 33 14.740 -10.924 6.395
232 HD2 ARG 33 HD2 ARG 33 13.441 -8.910 6.608
233 HD3 ARG 33 HD3 ARG 33 11.968 -9.842 6.876
234 HE ARG 33 HE ARG 33 12.584 -10.128 9.066
235 HH11 ARG 33 HH11 ARG 33 15.314 -8.970 7.241
236 HH12 ARG 33 HH12 ARG 33 16.299 -8.698 8.640
237 HH21 ARG 33 HH21 ARG 33 13.872 -9.774 10.915
238 HH22 ARG 33 HH22 ARG 33 15.478 -9.156 10.729
Start of MODEL 12
1 H1 ASP 1 H ASP 1 0.978 0.854 0.296
2 HA ASP 1 HA ASP 1 1.258 -0.645 -1.394
3 HB2 ASP 1 HB2 ASP 1 1.659 1.851 -2.592
4 HB3 ASP 1 HB3 ASP 1 3.016 0.866 -3.134
5 H CYS 2 H CYS 2 2.864 -2.060 -2.381
6 HA CYS 2 HA CYS 2 5.572 -1.768 -1.290
7 HB2 CYS 2 HB2 CYS 2 5.616 -4.068 -0.538
8 HB3 CYS 2 HB3 CYS 2 4.254 -3.246 0.216
9 H GLY 3 H GLY 3 7.112 -3.348 -2.304
10 HA2 GLY 3 HA2 GLY 3 6.510 -3.509 -5.173
11 HA3 GLY 3 HA3 GLY 3 8.114 -3.527 -4.457
12 H HIS 4 H HIS 4 8.268 -5.370 -6.036
13 HA HIS 4 HA HIS 4 6.979 -7.829 -5.170
14 HB2 HIS 4 HB2 HIS 4 9.027 -7.567 -7.366
15 HB3 HIS 4 HB3 HIS 4 7.795 -8.810 -7.168
16 HD1 HIS 4 HD1 HIS 4 8.216 -6.910 -9.708
17 HD2 HIS 4 HD2 HIS 4 5.313 -6.518 -6.762
18 HE1 HIS 4 HE1 HIS 4 6.350 -5.604 -10.773
19 H LEU 5 H LEU 5 8.701 -9.796 -5.486
20 HA LEU 5 HA LEU 5 10.385 -9.600 -3.194
21 HB2 LEU 5 HB2 LEU 5 9.529 -11.716 -3.460
22 HB3 LEU 5 HB3 LEU 5 9.752 -11.700 -5.208
23 HG LEU 5 HG LEU 5 12.153 -12.050 -4.909
24 HD11 LEU 5 HD11 LEU 5 12.245 -10.890 -2.680
25 HD12 LEU 5 HD12 LEU 5 13.158 -12.395 -2.792
26 HD13 LEU 5 HD13 LEU 5 11.598 -12.370 -1.970
27 HD21 LEU 5 HD21 LEU 5 11.259 -14.216 -3.205
28 HD22 LEU 5 HD22 LEU 5 11.814 -14.251 -4.879
29 HD23 LEU 5 HD23 LEU 5 10.125 -13.896 -4.517
30 H HIS 6 H HIS 6 11.036 -9.996 -6.670
31 HA HIS 6 HA HIS 6 13.857 -9.369 -6.184
32 HB2 HIS 6 HB2 HIS 6 12.447 -10.452 -8.630
33 HB3 HIS 6 HB3 HIS 6 14.168 -10.085 -8.559
34 HD1 HIS 6 HD1 HIS 6 15.227 -11.387 -6.190
35 HD2 HIS 6 HD2 HIS 6 12.111 -13.105 -8.335
36 HE1 HIS 6 HE1 HIS 6 15.269 -13.830 -5.597
37 H ASP 7 H ASP 7 11.577 -7.419 -6.164
38 HA ASP 7 HA ASP 7 12.076 -5.771 -8.500
39 HB2 ASP 7 HB2 ASP 7 9.977 -6.024 -6.574
40 HB3 ASP 7 HB3 ASP 7 10.554 -4.360 -6.560
41 HA PRO 8 HA PRO 8 15.137 -3.142 -6.779
42 HB2 PRO 8 HB2 PRO 8 14.480 -0.750 -7.881
43 HB3 PRO 8 HB3 PRO 8 15.198 -2.072 -8.811
44 HG2 PRO 8 HG2 PRO 8 12.329 -1.240 -8.605
45 HG3 PRO 8 HG3 PRO 8 13.255 -1.720 -10.039
46 HD2 PRO 8 HD2 PRO 8 11.562 -3.407 -8.766
47 HD3 PRO 8 HD3 PRO 8 13.035 -3.969 -9.583
48 H CYS 9 H CYS 9 15.502 -1.250 -5.415
49 HA CYS 9 HA CYS 9 13.199 -0.070 -4.107
50 HB2 CYS 9 HB2 CYS 9 14.057 -0.715 -1.831
51 HB3 CYS 9 HB3 CYS 9 13.394 -2.048 -2.771
52 HA PRO 10 HA PRO 10 17.028 2.587 -4.552
53 HB2 PRO 10 HB2 PRO 10 15.820 4.556 -5.978
54 HB3 PRO 10 HB3 PRO 10 16.561 3.140 -6.733
55 HG2 PRO 10 HG2 PRO 10 13.679 3.669 -6.118
56 HG3 PRO 10 HG3 PRO 10 14.401 2.967 -7.578
57 HD2 PRO 10 HD2 PRO 10 13.245 1.455 -5.651
58 HD3 PRO 10 HD3 PRO 10 14.620 0.883 -6.618
59 H ASN 11 H ASN 11 13.656 3.301 -3.800
60 HA ASN 11 HA ASN 11 14.448 5.584 -2.158
61 HB2 ASN 11 HB2 ASN 11 11.821 4.552 -3.185
62 HB3 ASN 11 HB3 ASN 11 11.863 5.682 -1.835
63 HD21 ASN 11 HD21 ASN 11 12.495 5.229 -5.219
64 HD22 ASN 11 HD22 ASN 11 12.651 6.902 -5.621
65 H ASP 12 H ASP 12 15.176 2.877 -1.382
66 HA ASP 12 HA ASP 12 13.459 1.953 0.682
67 HB2 ASP 12 HB2 ASP 12 14.920 0.329 -0.166
68 HB3 ASP 12 HB3 ASP 12 16.315 1.400 -0.071
69 H ARG 13 H ARG 13 13.080 2.902 2.562
70 HA ARG 13 HA ARG 13 15.280 4.302 3.914
71 HB2 ARG 13 HB2 ARG 13 13.400 5.914 4.725
72 HB3 ARG 13 HB3 ARG 13 14.125 6.156 3.141
73 HG2 ARG 13 HG2 ARG 13 12.230 4.959 2.120
74 HG3 ARG 13 HG3 ARG 13 11.494 4.811 3.717
75 HD2 ARG 13 HD2 ARG 13 10.923 7.011 3.810
76 HD3 ARG 13 HD3 ARG 13 12.308 7.523 2.847
77 HE ARG 13 HE ARG 13 9.696 6.800 1.884
78 HH11 ARG 13 HH11 ARG 13 13.069 7.107 1.081
79 HH12 ARG 13 HH12 ARG 13 12.783 7.285 -0.618
80 HH21 ARG 13 HH21 ARG 13 9.306 7.033 -0.352
81 HH22 ARG 13 HH22 ARG 13 10.642 7.244 -1.432
82 HA PRO 14 HA PRO 14 14.074 2.165 7.551
83 HB2 PRO 14 HB2 PRO 14 14.510 4.022 9.483
84 HB3 PRO 14 HB3 PRO 14 15.820 3.205 8.623
85 HG2 PRO 14 HG2 PRO 14 14.656 5.924 8.161
86 HG3 PRO 14 HG3 PRO 14 16.357 5.422 8.169
87 HD2 PRO 14 HD2 PRO 14 14.961 5.801 5.880
88 HD3 PRO 14 HD3 PRO 14 16.253 4.592 6.022
89 H GLY 15 H GLY 15 11.911 1.731 7.551
90 HA2 GLY 15 HA2 GLY 15 9.953 2.044 8.964
91 HA3 GLY 15 HA3 GLY 15 10.179 3.778 8.786
92 H HIS 16 H HIS 16 10.853 2.798 5.823
93 HA HIS 16 HA HIS 16 8.220 2.177 4.834
94 HB2 HIS 16 HB2 HIS 16 9.367 4.934 4.619
95 HB3 HIS 16 HB3 HIS 16 8.391 4.304 3.295
96 HD1 HIS 16 HD1 HIS 16 6.083 2.999 4.608
97 HD2 HIS 16 HD2 HIS 16 7.746 6.506 6.089
98 HE1 HIS 16 HE1 HIS 16 4.275 4.069 5.989
99 H ARG 17 H ARG 17 9.400 0.389 4.006
100 HA ARG 17 HA ARG 17 11.399 0.964 1.951
101 HB2 ARG 17 HB2 ARG 17 10.501 -1.743 2.941
102 HB3 ARG 17 HB3 ARG 17 11.957 -1.364 2.031
103 HG2 ARG 17 HG2 ARG 17 12.677 0.035 4.006
104 HG3 ARG 17 HG3 ARG 17 11.338 -0.697 4.892
105 HD2 ARG 17 HD2 ARG 17 12.543 -2.521 5.284
106 HD3 ARG 17 HD3 ARG 17 12.827 -2.742 3.558
107 HE ARG 17 HE ARG 17 14.941 -1.947 3.865
108 HH11 ARG 17 HH11 ARG 17 12.963 -0.898 6.531
109 HH12 ARG 17 HH12 ARG 17 14.283 -0.190 7.401
110 HH21 ARG 17 HH21 ARG 17 16.687 -1.019 5.002
111 HH22 ARG 17 HH22 ARG 17 16.401 -0.259 6.530
112 H THR 18 H THR 18 11.274 -0.272 -0.100
113 HA THR 18 HA THR 18 8.550 -0.139 -1.147
114 HB THR 18 HB THR 18 9.486 -0.039 -3.326
115 HG1 THR 18 HG1 THR 18 11.358 -0.927 -3.808
116 HG21 THR 18 HG21 THR 18 11.573 1.480 -1.819
117 HG22 THR 18 HG22 THR 18 9.876 1.926 -1.642
118 HG23 THR 18 HG23 THR 18 10.636 1.962 -3.233
119 H CYS 19 H CYS 19 9.689 -2.392 0.518
120 HA CYS 19 HA CYS 19 9.260 -4.583 -1.404
121 HB2 CYS 19 HB2 CYS 19 10.808 -4.517 1.190
122 HB3 CYS 19 HB3 CYS 19 10.423 -6.005 0.330
123 H CYS 20 H CYS 20 7.832 -6.233 -0.898
124 HA CYS 20 HA CYS 20 5.663 -5.495 0.828
125 HB2 CYS 20 HB2 CYS 20 6.020 -7.209 -1.388
126 HB3 CYS 20 HB3 CYS 20 5.500 -8.229 -0.050
127 H ILE 21 H ILE 21 4.755 -7.752 1.975
128 HA ILE 21 HA ILE 21 6.303 -7.951 4.324
129 HB ILE 21 HB ILE 21 3.886 -8.298 4.347
130 HG12 ILE 21 HG12 ILE 21 5.392 -10.786 5.185
131 HG13 ILE 21 HG13 ILE 21 5.284 -9.301 6.124
132 HG21 ILE 21 HG21 ILE 21 3.865 -11.034 3.398
133 HG22 ILE 21 HG22 ILE 21 2.811 -9.685 2.977
134 HG23 ILE 21 HG23 ILE 21 4.346 -9.900 2.137
135 HD11 ILE 21 HD11 ILE 21 3.422 -10.028 7.056
136 HD12 ILE 21 HD12 ILE 21 2.651 -10.127 5.472
137 HD13 ILE 21 HD13 ILE 21 3.531 -11.514 6.113
138 H GLY 22 H GLY 22 7.569 -9.611 5.144
139 HA2 GLY 22 HA2 GLY 22 9.024 -11.388 5.098
140 HA3 GLY 22 HA3 GLY 22 7.997 -12.090 3.856
141 H LEU 23 H LEU 23 9.589 -8.976 3.562
142 HA LEU 23 HA LEU 23 11.504 -10.150 1.667
143 HB2 LEU 23 HB2 LEU 23 9.747 -7.746 1.219
144 HB3 LEU 23 HB3 LEU 23 11.148 -8.130 0.221
145 HG LEU 23 HG LEU 23 8.656 -9.808 0.513
146 HD11 LEU 23 HD11 LEU 23 9.571 -7.781 -1.446
147 HD12 LEU 23 HD12 LEU 23 7.943 -8.179 -0.899
148 HD13 LEU 23 HD13 LEU 23 8.756 -9.214 -2.072
149 HD21 LEU 23 HD21 LEU 23 9.973 -10.782 -1.638
150 HD22 LEU 23 HD22 LEU 23 10.082 -11.466 -0.016
151 HD23 LEU 23 HD23 LEU 23 11.327 -10.356 -0.591
152 H GLN 24 H GLN 24 13.221 -8.485 1.053
153 HA GLN 24 HA GLN 24 13.750 -6.486 3.090
154 HB2 GLN 24 HB2 GLN 24 14.740 -8.347 4.185
155 HB3 GLN 24 HB3 GLN 24 15.468 -8.930 2.694
156 HG2 GLN 24 HG2 GLN 24 17.200 -7.465 2.798
157 HG3 GLN 24 HG3 GLN 24 16.256 -6.236 3.639
158 HE21 GLN 24 HE21 GLN 24 17.142 -9.614 4.287
159 HE22 GLN 24 HE22 GLN 24 17.752 -9.327 5.878
160 H CYS 25 H CYS 25 15.241 -4.919 2.458
161 HA CYS 25 HA CYS 25 15.845 -4.934 -0.412
162 HB2 CYS 25 HB2 CYS 25 14.534 -3.032 0.379
163 HB3 CYS 25 HB3 CYS 25 15.770 -2.653 1.574
164 H ARG 26 H ARG 26 17.817 -5.615 -0.914
165 HA ARG 26 HA ARG 26 20.110 -4.472 0.463
166 HB2 ARG 26 HB2 ARG 26 19.643 -7.451 0.251
167 HB3 ARG 26 HB3 ARG 26 21.183 -6.720 0.685
168 HG2 ARG 26 HG2 ARG 26 18.654 -6.232 2.232
169 HG3 ARG 26 HG3 ARG 26 19.768 -7.553 2.593
170 HD2 ARG 26 HD2 ARG 26 21.533 -6.032 3.086
171 HD3 ARG 26 HD3 ARG 26 20.610 -4.666 2.463
172 HE ARG 26 HE ARG 26 19.241 -5.925 4.605
173 HH11 ARG 26 HH11 ARG 26 21.907 -3.801 3.899
174 HH12 ARG 26 HH12 ARG 26 21.841 -2.995 5.431
175 HH21 ARG 26 HH21 ARG 26 19.144 -4.871 6.626
176 HH22 ARG 26 HH22 ARG 26 20.270 -3.605 6.982
177 H TYR 27 H TYR 27 21.996 -4.447 -0.774
178 HA TYR 27 HA TYR 27 23.251 -4.370 -2.669
179 HB2 TYR 27 HB2 TYR 27 21.536 -6.592 -3.768
180 HB3 TYR 27 HB3 TYR 27 23.212 -6.223 -4.156
181 HD1 TYR 27 HD1 TYR 27 25.008 -6.807 -2.587
182 HD2 TYR 27 HD2 TYR 27 20.960 -7.857 -1.803
183 HE1 TYR 27 HE1 TYR 27 25.761 -8.404 -0.874
184 HE2 TYR 27 HE2 TYR 27 21.702 -9.457 -0.088
185 HH TYR 27 HH TYR 27 24.998 -10.354 0.286
186 H GLY 28 H GLY 28 20.964 -2.684 -2.440
187 HA2 GLY 28 HA2 GLY 28 19.842 -1.152 -3.732
188 HA3 GLY 28 HA3 GLY 28 20.816 -1.701 -5.087
189 H LYS 29 H LYS 29 19.125 -4.219 -3.591
190 HA LYS 29 HA LYS 29 16.789 -3.930 -5.326
191 HB2 LYS 29 HB2 LYS 29 18.965 -5.845 -5.704
192 HB3 LYS 29 HB3 LYS 29 17.387 -6.613 -5.592
193 HG2 LYS 29 HG2 LYS 29 16.596 -5.572 -7.497
194 HG3 LYS 29 HG3 LYS 29 17.788 -4.273 -7.404
195 HD2 LYS 29 HD2 LYS 29 18.914 -6.972 -7.706
196 HD3 LYS 29 HD3 LYS 29 17.957 -6.406 -9.078
197 HE2 LYS 29 HE2 LYS 29 19.381 -4.218 -8.738
198 HE3 LYS 29 HE3 LYS 29 20.500 -5.332 -7.954
199 HZ1 LYS 29 HZ1 LYS 29 20.411 -6.696 -10.004
200 HZ2 LYS 29 HZ2 LYS 29 21.083 -5.162 -10.243
201 HZ3 LYS 29 HZ3 LYS 29 19.498 -5.478 -10.743
202 H CYS 30 H CYS 30 15.343 -6.021 -4.929
203 HA CYS 30 HA CYS 30 15.126 -6.277 -2.006
204 HB2 CYS 30 HB2 CYS 30 13.238 -5.246 -3.448
205 HB3 CYS 30 HB3 CYS 30 12.914 -6.903 -3.946
206 H LEU 31 H LEU 31 14.732 -8.288 -1.062
207 HA LEU 31 HA LEU 31 14.748 -10.660 -2.745
208 HB2 LEU 31 HB2 LEU 31 16.588 -11.396 -0.864
209 HB3 LEU 31 HB3 LEU 31 16.947 -10.937 -2.528
210 HG LEU 31 HG LEU 31 16.863 -8.819 -0.428
211 HD11 LEU 31 HD11 LEU 31 19.509 -9.498 -0.537
212 HD12 LEU 31 HD12 LEU 31 18.718 -11.073 -0.488
213 HD13 LEU 31 HD13 LEU 31 18.406 -9.889 0.782
214 HD21 LEU 31 HD21 LEU 31 17.787 -7.577 -2.028
215 HD22 LEU 31 HD22 LEU 31 17.417 -8.895 -3.141
216 HD23 LEU 31 HD23 LEU 31 19.006 -8.802 -2.379
217 H VAL 32 H VAL 32 14.778 -12.678 -1.189
218 HA VAL 32 HA VAL 32 12.501 -12.363 0.531
219 HB VAL 32 HB VAL 32 12.662 -14.383 -0.765
220 HG11 VAL 32 HG11 VAL 32 14.760 -15.795 0.544
221 HG12 VAL 32 HG12 VAL 32 14.602 -15.384 -1.165
222 HG13 VAL 32 HG13 VAL 32 15.399 -14.265 -0.058
223 HG21 VAL 32 HG21 VAL 32 11.882 -15.783 0.839
224 HG22 VAL 32 HG22 VAL 32 13.255 -15.503 1.909
225 HG23 VAL 32 HG23 VAL 32 11.954 -14.315 1.814
226 H ARG 33 H ARG 33 12.620 -11.682 2.558
227 HA ARG 33 HA ARG 33 14.963 -11.324 4.020
228 HB2 ARG 33 HB2 ARG 33 12.997 -10.096 4.619
229 HB3 ARG 33 HB3 ARG 33 12.093 -11.574 4.918
230 HG2 ARG 33 HG2 ARG 33 12.750 -10.457 6.991
231 HG3 ARG 33 HG3 ARG 33 13.470 -12.062 6.849
232 HD2 ARG 33 HD2 ARG 33 15.130 -9.952 5.712
233 HD3 ARG 33 HD3 ARG 33 14.812 -9.731 7.432
234 HE ARG 33 HE ARG 33 16.457 -11.743 6.223
235 HH11 ARG 33 HH11 ARG 33 14.483 -10.965 8.983
236 HH12 ARG 33 HH12 ARG 33 15.297 -12.069 10.041
237 HH21 ARG 33 HH21 ARG 33 17.537 -13.201 7.606
238 HH22 ARG 33 HH22 ARG 33 17.034 -13.340 9.257
Start of MODEL 13
1 H1 ASP 1 H ASP 1 1.013 -0.734 -3.047
2 HA ASP 1 HA ASP 1 2.303 1.270 -1.433
3 HB2 ASP 1 HB2 ASP 1 0.985 -1.353 -0.704
4 HB3 ASP 1 HB3 ASP 1 1.599 -0.191 0.468
5 H CYS 2 H CYS 2 2.965 -2.044 -2.425
6 HA CYS 2 HA CYS 2 5.699 -1.729 -1.394
7 HB2 CYS 2 HB2 CYS 2 5.733 -4.017 -0.608
8 HB3 CYS 2 HB3 CYS 2 4.380 -3.176 0.140
9 H GLY 3 H GLY 3 7.226 -3.330 -2.393
10 HA2 GLY 3 HA2 GLY 3 6.610 -3.528 -5.257
11 HA3 GLY 3 HA3 GLY 3 8.217 -3.553 -4.546
12 H HIS 4 H HIS 4 8.340 -5.418 -6.105
13 HA HIS 4 HA HIS 4 7.033 -7.852 -5.197
14 HB2 HIS 4 HB2 HIS 4 9.066 -7.640 -7.411
15 HB3 HIS 4 HB3 HIS 4 7.823 -8.868 -7.187
16 HD1 HIS 4 HD1 HIS 4 8.244 -7.009 -9.756
17 HD2 HIS 4 HD2 HIS 4 5.370 -6.541 -6.792
18 HE1 HIS 4 HE1 HIS 4 6.384 -5.697 -10.825
19 H LEU 5 H LEU 5 8.733 -9.841 -5.501
20 HA LEU 5 HA LEU 5 10.435 -9.632 -3.223
21 HB2 LEU 5 HB2 LEU 5 9.553 -11.743 -3.460
22 HB3 LEU 5 HB3 LEU 5 9.773 -11.752 -5.209
23 HG LEU 5 HG LEU 5 12.170 -12.123 -4.911
24 HD11 LEU 5 HD11 LEU 5 12.285 -10.931 -2.701
25 HD12 LEU 5 HD12 LEU 5 13.176 -12.450 -2.790
26 HD13 LEU 5 HD13 LEU 5 11.619 -12.389 -1.965
27 HD21 LEU 5 HD21 LEU 5 11.018 -14.199 -3.151
28 HD22 LEU 5 HD22 LEU 5 11.947 -14.358 -4.642
29 HD23 LEU 5 HD23 LEU 5 10.230 -13.958 -4.710
30 H HIS 6 H HIS 6 11.059 -10.081 -6.698
31 HA HIS 6 HA HIS 6 13.889 -9.475 -6.240
32 HB2 HIS 6 HB2 HIS 6 12.449 -10.573 -8.661
33 HB3 HIS 6 HB3 HIS 6 14.174 -10.220 -8.610
34 HD1 HIS 6 HD1 HIS 6 15.249 -11.506 -6.243
35 HD2 HIS 6 HD2 HIS 6 12.085 -13.217 -8.323
36 HE1 HIS 6 HE1 HIS 6 15.272 -13.942 -5.619
37 H ASP 7 H ASP 7 11.628 -7.502 -6.228
38 HA ASP 7 HA ASP 7 12.132 -5.886 -8.585
39 HB2 ASP 7 HB2 ASP 7 10.038 -6.096 -6.644
40 HB3 ASP 7 HB3 ASP 7 10.627 -4.436 -6.663
41 HA PRO 8 HA PRO 8 15.214 -3.256 -6.903
42 HB2 PRO 8 HB2 PRO 8 14.559 -0.866 -8.012
43 HB3 PRO 8 HB3 PRO 8 15.262 -2.196 -8.941
44 HG2 PRO 8 HG2 PRO 8 12.400 -1.349 -8.716
45 HG3 PRO 8 HG3 PRO 8 13.311 -1.841 -10.155
46 HD2 PRO 8 HD2 PRO 8 11.621 -3.513 -8.859
47 HD3 PRO 8 HD3 PRO 8 13.084 -4.086 -9.686
48 H CYS 9 H CYS 9 15.596 -1.346 -5.562
49 HA CYS 9 HA CYS 9 13.307 -0.162 -4.233
50 HB2 CYS 9 HB2 CYS 9 14.200 -0.784 -1.964
51 HB3 CYS 9 HB3 CYS 9 13.525 -2.126 -2.882
52 HA PRO 10 HA PRO 10 17.117 2.507 -4.754
53 HB2 PRO 10 HB2 PRO 10 15.878 4.463 -6.171
54 HB3 PRO 10 HB3 PRO 10 16.612 3.046 -6.929
55 HG2 PRO 10 HG2 PRO 10 13.739 3.568 -6.271
56 HG3 PRO 10 HG3 PRO 10 14.440 2.859 -7.738
57 HD2 PRO 10 HD2 PRO 10 13.321 1.354 -5.784
58 HD3 PRO 10 HD3 PRO 10 14.682 0.781 -6.770
59 H ASN 11 H ASN 11 13.754 3.218 -3.955
60 HA ASN 11 HA ASN 11 14.567 5.509 -2.334
61 HB2 ASN 11 HB2 ASN 11 11.929 4.476 -3.327
62 HB3 ASN 11 HB3 ASN 11 11.986 5.608 -1.980
63 HD21 ASN 11 HD21 ASN 11 11.415 5.496 -5.111
64 HD22 ASN 11 HD22 ASN 11 12.018 7.034 -5.618
65 H ASP 12 H ASP 12 15.302 2.804 -1.557
66 HA ASP 12 HA ASP 12 13.609 1.892 0.534
67 HB2 ASP 12 HB2 ASP 12 15.055 0.260 -0.329
68 HB3 ASP 12 HB3 ASP 12 16.454 1.328 -0.254
69 H ARG 13 H ARG 13 13.258 2.849 2.415
70 HA ARG 13 HA ARG 13 15.484 4.202 3.763
71 HB2 ARG 13 HB2 ARG 13 13.643 5.900 4.521
72 HB3 ARG 13 HB3 ARG 13 14.442 6.104 2.968
73 HG2 ARG 13 HG2 ARG 13 12.538 4.988 1.872
74 HG3 ARG 13 HG3 ARG 13 11.732 4.881 3.438
75 HD2 ARG 13 HD2 ARG 13 12.558 7.561 3.104
76 HD3 ARG 13 HD3 ARG 13 11.801 7.060 1.593
77 HE ARG 13 HE ARG 13 9.776 6.943 2.673
78 HH11 ARG 13 HH11 ARG 13 12.337 7.257 5.011
79 HH12 ARG 13 HH12 ARG 13 11.264 7.534 6.343
80 HH21 ARG 13 HH21 ARG 13 8.353 7.307 4.418
81 HH22 ARG 13 HH22 ARG 13 8.998 7.561 6.005
82 HA PRO 14 HA PRO 14 14.119 2.180 7.408
83 HB2 PRO 14 HB2 PRO 14 14.599 4.045 9.321
84 HB3 PRO 14 HB3 PRO 14 15.888 3.160 8.498
85 HG2 PRO 14 HG2 PRO 14 14.853 5.919 7.974
86 HG3 PRO 14 HG3 PRO 14 16.529 5.344 8.022
87 HD2 PRO 14 HD2 PRO 14 15.194 5.747 5.702
88 HD3 PRO 14 HD3 PRO 14 16.429 4.485 5.886
89 H GLY 15 H GLY 15 11.946 1.828 7.413
90 HA2 GLY 15 HA2 GLY 15 9.984 2.264 8.789
91 HA3 GLY 15 HA3 GLY 15 10.277 3.981 8.550
92 H HIS 16 H HIS 16 10.953 2.921 5.633
93 HA HIS 16 HA HIS 16 8.325 2.320 4.621
94 HB2 HIS 16 HB2 HIS 16 8.603 4.921 5.019
95 HB3 HIS 16 HB3 HIS 16 9.488 4.833 3.499
96 HD1 HIS 16 HD1 HIS 16 6.053 4.245 4.932
97 HD2 HIS 16 HD2 HIS 16 7.929 4.579 1.240
98 HE1 HIS 16 HE1 HIS 16 4.194 4.354 3.241
99 H ARG 17 H ARG 17 9.484 0.501 3.838
100 HA ARG 17 HA ARG 17 11.515 1.012 1.796
101 HB2 ARG 17 HB2 ARG 17 10.576 -1.633 2.919
102 HB3 ARG 17 HB3 ARG 17 11.983 -1.366 1.900
103 HG2 ARG 17 HG2 ARG 17 12.850 0.138 3.756
104 HG3 ARG 17 HG3 ARG 17 11.572 -0.554 4.757
105 HD2 ARG 17 HD2 ARG 17 13.283 -2.451 3.263
106 HD3 ARG 17 HD3 ARG 17 14.034 -1.590 4.605
107 HE ARG 17 HE ARG 17 12.101 -3.689 4.775
108 HH11 ARG 17 HH11 ARG 17 13.316 -0.836 6.358
109 HH12 ARG 17 HH12 ARG 17 12.806 -1.337 7.937
110 HH21 ARG 17 HH21 ARG 17 11.426 -4.359 6.848
111 HH22 ARG 17 HH22 ARG 17 11.732 -3.341 8.214
112 H THR 18 H THR 18 11.398 -0.253 -0.232
113 HA THR 18 HA THR 18 8.684 -0.127 -1.305
114 HB THR 18 HB THR 18 9.639 -0.072 -3.477
115 HG1 THR 18 HG1 THR 18 11.824 -1.237 -2.186
116 HG21 THR 18 HG21 THR 18 11.729 1.460 -1.990
117 HG22 THR 18 HG22 THR 18 10.034 1.918 -1.816
118 HG23 THR 18 HG23 THR 18 10.792 1.926 -3.409
119 H CYS 19 H CYS 19 9.821 -2.357 0.407
120 HA CYS 19 HA CYS 19 9.376 -4.579 -1.475
121 HB2 CYS 19 HB2 CYS 19 10.935 -4.474 1.110
122 HB3 CYS 19 HB3 CYS 19 10.540 -5.976 0.280
123 H CYS 20 H CYS 20 7.927 -6.198 -0.952
124 HA CYS 20 HA CYS 20 5.775 -5.426 0.778
125 HB2 CYS 20 HB2 CYS 20 6.114 -7.177 -1.413
126 HB3 CYS 20 HB3 CYS 20 5.591 -8.172 -0.057
127 H ILE 21 H ILE 21 4.862 -7.673 1.953
128 HA ILE 21 HA ILE 21 6.417 -7.843 4.302
129 HB ILE 21 HB ILE 21 3.994 -8.176 4.329
130 HG12 ILE 21 HG12 ILE 21 5.318 -10.744 5.200
131 HG13 ILE 21 HG13 ILE 21 5.560 -9.221 6.049
132 HG21 ILE 21 HG21 ILE 21 4.050 -10.943 3.397
133 HG22 ILE 21 HG22 ILE 21 2.894 -9.655 3.061
134 HG23 ILE 21 HG23 ILE 21 4.391 -9.759 2.135
135 HD11 ILE 21 HD11 ILE 21 3.584 -11.068 6.536
136 HD12 ILE 21 HD12 ILE 21 3.615 -9.398 7.102
137 HD13 ILE 21 HD13 ILE 21 2.756 -9.810 5.619
138 H GLY 22 H GLY 22 7.667 -9.507 5.147
139 HA2 GLY 22 HA2 GLY 22 9.117 -11.287 5.117
140 HA3 GLY 22 HA3 GLY 22 8.079 -12.003 3.893
141 H LEU 23 H LEU 23 9.680 -8.902 3.534
142 HA LEU 23 HA LEU 23 11.576 -10.117 1.645
143 HB2 LEU 23 HB2 LEU 23 9.835 -7.705 1.184
144 HB3 LEU 23 HB3 LEU 23 11.230 -8.104 0.183
145 HG LEU 23 HG LEU 23 8.728 -9.762 0.499
146 HD11 LEU 23 HD11 LEU 23 8.830 -9.194 -2.093
147 HD12 LEU 23 HD12 LEU 23 9.652 -7.760 -1.480
148 HD13 LEU 23 HD13 LEU 23 8.021 -8.145 -0.928
149 HD21 LEU 23 HD21 LEU 23 10.152 -11.433 -0.007
150 HD22 LEU 23 HD22 LEU 23 11.391 -10.337 -0.619
151 HD23 LEU 23 HD23 LEU 23 10.021 -10.779 -1.640
152 H GLN 24 H GLN 24 13.309 -8.483 1.003
153 HA GLN 24 HA GLN 24 13.873 -6.464 3.009
154 HB2 GLN 24 HB2 GLN 24 14.847 -8.319 4.126
155 HB3 GLN 24 HB3 GLN 24 15.557 -8.935 2.640
156 HG2 GLN 24 HG2 GLN 24 17.309 -7.492 2.710
157 HG3 GLN 24 HG3 GLN 24 16.388 -6.238 3.539
158 HE21 GLN 24 HE21 GLN 24 17.195 -9.623 4.247
159 HE22 GLN 24 HE22 GLN 24 17.834 -9.318 5.823
160 H CYS 25 H CYS 25 15.376 -4.922 2.347
161 HA CYS 25 HA CYS 25 15.964 -4.983 -0.526
162 HB2 CYS 25 HB2 CYS 25 14.686 -3.053 0.252
163 HB3 CYS 25 HB3 CYS 25 15.938 -2.676 1.432
164 H ARG 26 H ARG 26 17.922 -5.698 -1.033
165 HA ARG 26 HA ARG 26 20.241 -4.572 0.313
166 HB2 ARG 26 HB2 ARG 26 19.730 -7.546 0.146
167 HB3 ARG 26 HB3 ARG 26 21.283 -6.832 0.558
168 HG2 ARG 26 HG2 ARG 26 18.773 -6.285 2.117
169 HG3 ARG 26 HG3 ARG 26 19.869 -7.618 2.487
170 HD2 ARG 26 HD2 ARG 26 21.603 -6.184 3.092
171 HD3 ARG 26 HD3 ARG 26 20.891 -4.814 2.240
172 HE ARG 26 HE ARG 26 19.076 -5.384 4.177
173 HH11 ARG 26 HH11 ARG 26 22.497 -4.737 4.175
174 HH12 ARG 26 HH12 ARG 26 22.495 -4.026 5.755
175 HH21 ARG 26 HH21 ARG 26 19.061 -4.449 6.258
176 HH22 ARG 26 HH22 ARG 26 20.541 -3.863 6.939
177 H TYR 27 H TYR 27 22.119 -4.592 -0.937
178 HA TYR 27 HA TYR 27 23.362 -4.559 -2.841
179 HB2 TYR 27 HB2 TYR 27 21.604 -6.771 -3.896
180 HB3 TYR 27 HB3 TYR 27 23.282 -6.430 -4.305
181 HD1 TYR 27 HD2 TYR 27 25.085 -7.020 -2.746
182 HD2 TYR 27 HD1 TYR 27 21.030 -7.996 -1.904
183 HE1 TYR 27 HE2 TYR 27 25.831 -8.605 -1.019
184 HE2 TYR 27 HE1 TYR 27 21.764 -9.582 -0.174
185 HH TYR 27 HH TYR 27 24.524 -9.591 1.259
186 H GLY 28 H GLY 28 21.102 -2.836 -2.620
187 HA2 GLY 28 HA2 GLY 28 19.993 -1.304 -3.924
188 HA3 GLY 28 HA3 GLY 28 20.949 -1.887 -5.279
189 H LYS 29 H LYS 29 19.231 -4.358 -3.737
190 HA LYS 29 HA LYS 29 16.886 -4.057 -5.456
191 HB2 LYS 29 HB2 LYS 29 19.032 -6.006 -5.832
192 HB3 LYS 29 HB3 LYS 29 17.445 -6.752 -5.694
193 HG2 LYS 29 HG2 LYS 29 16.660 -5.763 -7.616
194 HG3 LYS 29 HG3 LYS 29 17.816 -4.432 -7.529
195 HD2 LYS 29 HD2 LYS 29 18.953 -7.142 -7.848
196 HD3 LYS 29 HD3 LYS 29 18.063 -6.498 -9.229
197 HE2 LYS 29 HE2 LYS 29 19.698 -4.412 -8.283
198 HE3 LYS 29 HE3 LYS 29 20.703 -5.860 -8.314
199 HZ1 LYS 29 HZ1 LYS 29 19.468 -4.408 -10.521
200 HZ2 LYS 29 HZ2 LYS 29 19.541 -6.092 -10.663
201 HZ3 LYS 29 HZ3 LYS 29 20.962 -5.199 -10.447
202 H CYS 30 H CYS 30 15.414 -6.123 -5.022
203 HA CYS 30 HA CYS 30 15.217 -6.340 -2.096
204 HB2 CYS 30 HB2 CYS 30 13.331 -5.307 -3.545
205 HB3 CYS 30 HB3 CYS 30 12.982 -6.970 -4.005
206 H LEU 31 H LEU 31 14.800 -8.333 -1.122
207 HA LEU 31 HA LEU 31 14.778 -10.727 -2.773
208 HB2 LEU 31 HB2 LEU 31 16.621 -11.461 -0.896
209 HB3 LEU 31 HB3 LEU 31 16.975 -11.028 -2.567
210 HG LEU 31 HG LEU 31 16.930 -8.881 -0.495
211 HD11 LEU 31 HD11 LEU 31 18.848 -9.462 0.515
212 HD12 LEU 31 HD12 LEU 31 19.536 -10.152 -0.954
213 HD13 LEU 31 HD13 LEU 31 18.404 -11.095 0.016
214 HD21 LEU 31 HD21 LEU 31 19.087 -8.675 -2.276
215 HD22 LEU 31 HD22 LEU 31 17.601 -7.724 -2.266
216 HD23 LEU 31 HD23 LEU 31 17.704 -9.192 -3.240
217 H VAL 32 H VAL 32 14.794 -12.724 -1.190
218 HA VAL 32 HA VAL 32 12.533 -12.358 0.541
219 HB VAL 32 HB VAL 32 12.658 -14.396 -0.732
220 HG11 VAL 32 HG11 VAL 32 14.585 -15.418 -1.137
221 HG12 VAL 32 HG12 VAL 32 15.402 -14.310 -0.033
222 HG13 VAL 32 HG13 VAL 32 14.739 -15.829 0.571
223 HG21 VAL 32 HG21 VAL 32 11.958 -15.841 0.906
224 HG22 VAL 32 HG22 VAL 32 13.255 -15.390 2.013
225 HG23 VAL 32 HG23 VAL 32 11.880 -14.311 1.779
226 H ARG 33 H ARG 33 12.675 -11.654 2.558
227 HA ARG 33 HA ARG 33 14.984 -11.232 4.009
228 HB2 ARG 33 HB2 ARG 33 12.962 -10.151 4.679
229 HB3 ARG 33 HB3 ARG 33 12.152 -11.690 4.939
230 HG2 ARG 33 HG2 ARG 33 12.728 -10.672 7.052
231 HG3 ARG 33 HG3 ARG 33 13.656 -12.155 6.817
232 HD2 ARG 33 HD2 ARG 33 15.538 -11.016 7.114
233 HD3 ARG 33 HD3 ARG 33 15.153 -10.024 5.708
234 HE ARG 33 HE ARG 33 13.703 -8.861 7.650
235 HH11 ARG 33 HH11 ARG 33 17.042 -9.830 7.472
236 HH12 ARG 33 HH12 ARG 33 17.597 -8.583 8.539
237 HH21 ARG 33 HH21 ARG 33 14.421 -7.214 9.056
238 HH22 ARG 33 HH22 ARG 33 16.105 -7.096 9.440
Start of MODEL 14
1 H1 ASP 1 H ASP 1 1.287 -1.807 -0.194
2 HA ASP 1 HA ASP 1 1.516 -0.355 -2.553
3 HB2 ASP 1 HB2 ASP 1 1.951 1.360 -0.097
4 HB3 ASP 1 HB3 ASP 1 2.297 1.834 -1.758
5 H CYS 2 H CYS 2 2.829 -2.463 -2.148
6 HA CYS 2 HA CYS 2 5.546 -1.652 -1.352
7 HB2 CYS 2 HB2 CYS 2 5.863 -4.108 -0.720
8 HB3 CYS 2 HB3 CYS 2 4.885 -3.129 0.368
9 H GLY 3 H GLY 3 7.237 -3.152 -2.321
10 HA2 GLY 3 HA2 GLY 3 6.640 -3.411 -5.167
11 HA3 GLY 3 HA3 GLY 3 8.236 -3.447 -4.431
12 H HIS 4 H HIS 4 8.326 -5.290 -6.052
13 HA HIS 4 HA HIS 4 7.036 -7.736 -5.152
14 HB2 HIS 4 HB2 HIS 4 9.030 -7.502 -7.399
15 HB3 HIS 4 HB3 HIS 4 7.782 -8.723 -7.171
16 HD1 HIS 4 HD1 HIS 4 8.185 -6.810 -9.714
17 HD2 HIS 4 HD2 HIS 4 5.342 -6.406 -6.711
18 HE1 HIS 4 HE1 HIS 4 6.314 -5.475 -10.734
19 H LEU 5 H LEU 5 8.805 -9.694 -5.613
20 HA LEU 5 HA LEU 5 10.496 -9.568 -3.318
21 HB2 LEU 5 HB2 LEU 5 9.660 -11.684 -3.687
22 HB3 LEU 5 HB3 LEU 5 9.910 -11.591 -5.429
23 HG LEU 5 HG LEU 5 12.310 -11.914 -5.109
24 HD11 LEU 5 HD11 LEU 5 11.713 -12.342 -2.191
25 HD12 LEU 5 HD12 LEU 5 12.366 -10.839 -2.842
26 HD13 LEU 5 HD13 LEU 5 13.287 -12.336 -2.987
27 HD21 LEU 5 HD21 LEU 5 10.261 -13.842 -4.342
28 HD22 LEU 5 HD22 LEU 5 11.859 -14.227 -3.702
29 HD23 LEU 5 HD23 LEU 5 11.631 -14.017 -5.439
30 H HIS 6 H HIS 6 11.206 -9.994 -6.789
31 HA HIS 6 HA HIS 6 13.984 -9.239 -6.289
32 HB2 HIS 6 HB2 HIS 6 12.620 -10.334 -8.755
33 HB3 HIS 6 HB3 HIS 6 14.330 -9.924 -8.666
34 HD1 HIS 6 HD1 HIS 6 15.376 -11.220 -6.273
35 HD2 HIS 6 HD2 HIS 6 12.372 -13.002 -8.521
36 HE1 HIS 6 HE1 HIS 6 15.480 -13.669 -5.712
37 H ASP 7 H ASP 7 11.650 -7.354 -6.263
38 HA ASP 7 HA ASP 7 12.083 -5.676 -8.584
39 HB2 ASP 7 HB2 ASP 7 10.031 -5.983 -6.623
40 HB3 ASP 7 HB3 ASP 7 10.586 -4.312 -6.583
41 HA PRO 8 HA PRO 8 15.157 -3.025 -6.918
42 HB2 PRO 8 HB2 PRO 8 14.470 -0.649 -8.036
43 HB3 PRO 8 HB3 PRO 8 15.188 -1.973 -8.961
44 HG2 PRO 8 HG2 PRO 8 12.315 -1.162 -8.733
45 HG3 PRO 8 HG3 PRO 8 13.230 -1.649 -10.172
46 HD2 PRO 8 HD2 PRO 8 11.564 -3.336 -8.864
47 HD3 PRO 8 HD3 PRO 8 13.032 -3.894 -9.692
48 H CYS 9 H CYS 9 15.553 -1.345 -5.415
49 HA CYS 9 HA CYS 9 13.240 -0.101 -4.136
50 HB2 CYS 9 HB2 CYS 9 14.156 -0.734 -1.877
51 HB3 CYS 9 HB3 CYS 9 13.488 -2.073 -2.803
52 HA PRO 10 HA PRO 10 17.006 2.628 -4.650
53 HB2 PRO 10 HB2 PRO 10 15.724 4.587 -6.024
54 HB3 PRO 10 HB3 PRO 10 16.469 3.191 -6.812
55 HG2 PRO 10 HG2 PRO 10 13.597 3.663 -6.114
56 HG3 PRO 10 HG3 PRO 10 14.290 2.986 -7.599
57 HD2 PRO 10 HD2 PRO 10 13.215 1.437 -5.655
58 HD3 PRO 10 HD3 PRO 10 14.573 0.898 -6.664
59 H ASN 11 H ASN 11 13.646 3.266 -3.791
60 HA ASN 11 HA ASN 11 14.438 5.554 -2.157
61 HB2 ASN 11 HB2 ASN 11 11.782 4.455 -3.052
62 HB3 ASN 11 HB3 ASN 11 11.888 5.649 -1.762
63 HD21 ASN 11 HD21 ASN 11 11.461 5.248 -4.988
64 HD22 ASN 11 HD22 ASN 11 11.923 6.819 -5.540
65 H ASP 12 H ASP 12 15.249 2.858 -1.426
66 HA ASP 12 HA ASP 12 13.619 1.887 0.688
67 HB2 ASP 12 HB2 ASP 12 15.222 0.437 -0.453
68 HB3 ASP 12 HB3 ASP 12 16.556 1.434 0.120
69 H ARG 13 H ARG 13 13.287 2.816 2.586
70 HA ARG 13 HA ARG 13 15.508 4.239 3.878
71 HB2 ARG 13 HB2 ARG 13 13.636 5.826 4.752
72 HB3 ARG 13 HB3 ARG 13 14.309 6.083 3.148
73 HG2 ARG 13 HG2 ARG 13 12.396 4.870 2.180
74 HG3 ARG 13 HG3 ARG 13 11.712 4.706 3.799
75 HD2 ARG 13 HD2 ARG 13 11.037 6.857 3.871
76 HD3 ARG 13 HD3 ARG 13 12.467 7.440 3.021
77 HE ARG 13 HE ARG 13 10.910 6.054 1.180
78 HH11 ARG 13 HH11 ARG 13 10.696 8.917 3.149
79 HH12 ARG 13 HH12 ARG 13 9.649 9.753 2.050
80 HH21 ARG 13 HH21 ARG 13 9.533 7.145 -0.276
81 HH22 ARG 13 HH22 ARG 13 8.988 8.744 0.103
82 HA PRO 14 HA PRO 14 14.432 2.067 7.534
83 HB2 PRO 14 HB2 PRO 14 14.909 3.915 9.464
84 HB3 PRO 14 HB3 PRO 14 16.200 3.116 8.560
85 HG2 PRO 14 HG2 PRO 14 14.999 5.827 8.151
86 HG3 PRO 14 HG3 PRO 14 16.703 5.340 8.104
87 HD2 PRO 14 HD2 PRO 14 15.235 5.721 5.861
88 HD3 PRO 14 HD3 PRO 14 16.541 4.522 5.955
89 H GLY 15 H GLY 15 12.273 1.614 7.594
90 HA2 GLY 15 HA2 GLY 15 10.355 1.899 9.066
91 HA3 GLY 15 HA3 GLY 15 10.561 3.636 8.897
92 H HIS 16 H HIS 16 11.155 2.673 5.907
93 HA HIS 16 HA HIS 16 8.496 2.048 4.994
94 HB2 HIS 16 HB2 HIS 16 8.728 4.637 5.445
95 HB3 HIS 16 HB3 HIS 16 9.577 4.614 3.902
96 HD1 HIS 16 HD1 HIS 16 6.294 3.144 5.174
97 HD2 HIS 16 HD2 HIS 16 7.864 5.162 1.900
98 HE1 HIS 16 HE1 HIS 16 4.366 3.457 3.590
99 H ARG 17 H ARG 17 9.656 0.269 4.121
100 HA ARG 17 HA ARG 17 11.615 0.846 2.035
101 HB2 ARG 17 HB2 ARG 17 10.663 -1.846 3.022
102 HB3 ARG 17 HB3 ARG 17 12.081 -1.521 2.035
103 HG2 ARG 17 HG2 ARG 17 12.985 -0.180 3.956
104 HG3 ARG 17 HG3 ARG 17 11.647 -0.807 4.921
105 HD2 ARG 17 HD2 ARG 17 13.074 -2.890 3.472
106 HD3 ARG 17 HD3 ARG 17 14.112 -1.996 4.581
107 HE ARG 17 HE ARG 17 12.029 -3.834 5.271
108 HH11 ARG 17 HH11 ARG 17 13.804 -1.034 6.334
109 HH12 ARG 17 HH12 ARG 17 13.527 -1.336 8.017
110 HH21 ARG 17 HH21 ARG 17 11.658 -4.242 7.485
111 HH22 ARG 17 HH22 ARG 17 12.307 -3.161 8.671
112 H THR 18 H THR 18 11.432 -0.313 -0.047
113 HA THR 18 HA THR 18 8.693 -0.114 -1.043
114 HB THR 18 HB THR 18 9.597 0.039 -3.237
115 HG1 THR 18 HG1 THR 18 11.208 -1.362 -3.477
116 HG21 THR 18 HG21 THR 18 10.691 2.051 -3.091
117 HG22 THR 18 HG22 THR 18 11.731 1.513 -1.771
118 HG23 THR 18 HG23 THR 18 10.048 1.935 -1.453
119 H CYS 19 H CYS 19 9.802 -2.430 0.533
120 HA CYS 19 HA CYS 19 9.333 -4.552 -1.456
121 HB2 CYS 19 HB2 CYS 19 10.930 -4.570 1.106
122 HB3 CYS 19 HB3 CYS 19 10.490 -6.040 0.244
123 H CYS 20 H CYS 20 7.942 -6.256 -0.936
124 HA CYS 20 HA CYS 20 5.776 -5.532 0.808
125 HB2 CYS 20 HB2 CYS 20 6.180 -7.314 -1.399
126 HB3 CYS 20 HB3 CYS 20 5.493 -8.220 -0.055
127 H ILE 21 H ILE 21 4.839 -7.611 2.064
128 HA ILE 21 HA ILE 21 6.468 -7.924 4.324
129 HB ILE 21 HB ILE 21 4.063 -8.158 4.487
130 HG12 ILE 21 HG12 ILE 21 5.339 -10.824 5.119
131 HG13 ILE 21 HG13 ILE 21 5.572 -9.374 6.089
132 HG21 ILE 21 HG21 ILE 21 2.835 -9.384 3.096
133 HG22 ILE 21 HG22 ILE 21 4.315 -9.711 2.195
134 HG23 ILE 21 HG23 ILE 21 3.776 -10.834 3.443
135 HD11 ILE 21 HD11 ILE 21 3.540 -9.526 7.036
136 HD12 ILE 21 HD12 ILE 21 2.779 -10.133 5.565
137 HD13 ILE 21 HD13 ILE 21 3.705 -11.226 6.594
138 H GLY 22 H GLY 22 7.827 -9.515 5.018
139 HA2 GLY 22 HA2 GLY 22 9.114 -11.429 4.964
140 HA3 GLY 22 HA3 GLY 22 8.055 -12.049 3.706
141 H LEU 23 H LEU 23 9.765 -8.996 3.481
142 HA LEU 23 HA LEU 23 11.662 -10.196 1.589
143 HB2 LEU 23 HB2 LEU 23 9.948 -7.766 1.113
144 HB3 LEU 23 HB3 LEU 23 11.345 -8.189 0.125
145 HG LEU 23 HG LEU 23 8.839 -9.843 0.431
146 HD11 LEU 23 HD11 LEU 23 8.893 -9.209 -2.148
147 HD12 LEU 23 HD12 LEU 23 9.709 -7.782 -1.511
148 HD13 LEU 23 HD13 LEU 23 8.092 -8.199 -0.944
149 HD21 LEU 23 HD21 LEU 23 10.130 -10.771 -1.765
150 HD22 LEU 23 HD22 LEU 23 10.242 -11.495 -0.160
151 HD23 LEU 23 HD23 LEU 23 11.490 -10.377 -0.713
152 H GLN 24 H GLN 24 13.387 -8.523 0.968
153 HA GLN 24 HA GLN 24 13.929 -6.543 3.019
154 HB2 GLN 24 HB2 GLN 24 14.918 -8.396 4.112
155 HB3 GLN 24 HB3 GLN 24 15.615 -9.005 2.618
156 HG2 GLN 24 HG2 GLN 24 17.369 -7.559 2.677
157 HG3 GLN 24 HG3 GLN 24 16.461 -6.319 3.541
158 HE21 GLN 24 HE21 GLN 24 17.473 -9.680 4.092
159 HE22 GLN 24 HE22 GLN 24 18.056 -9.420 5.697
160 H CYS 25 H CYS 25 15.361 -4.950 2.373
161 HA CYS 25 HA CYS 25 16.013 -4.981 -0.486
162 HB2 CYS 25 HB2 CYS 25 14.653 -3.099 0.259
163 HB3 CYS 25 HB3 CYS 25 15.854 -2.685 1.478
164 H ARG 26 H ARG 26 18.006 -5.626 -0.951
165 HA ARG 26 HA ARG 26 20.253 -4.425 0.456
166 HB2 ARG 26 HB2 ARG 26 19.867 -7.416 0.240
167 HB3 ARG 26 HB3 ARG 26 21.370 -6.639 0.720
168 HG2 ARG 26 HG2 ARG 26 18.778 -6.243 2.188
169 HG3 ARG 26 HG3 ARG 26 19.939 -7.511 2.589
170 HD2 ARG 26 HD2 ARG 26 21.608 -5.928 3.158
171 HD3 ARG 26 HD3 ARG 26 20.686 -4.601 2.452
172 HE ARG 26 HE ARG 26 19.151 -5.738 4.489
173 HH11 ARG 26 HH11 ARG 26 22.114 -3.954 4.099
174 HH12 ARG 26 HH12 ARG 26 22.022 -3.206 5.659
175 HH21 ARG 26 HH21 ARG 26 19.018 -4.760 6.545
176 HH22 ARG 26 HH22 ARG 26 20.261 -3.666 7.050
177 H TYR 27 H TYR 27 22.164 -4.377 -0.748
178 HA TYR 27 HA TYR 27 23.446 -4.280 -2.624
179 HB2 TYR 27 HB2 TYR 27 21.802 -6.523 -3.780
180 HB3 TYR 27 HB3 TYR 27 23.495 -6.145 -4.075
181 HD1 TYR 27 HD1 TYR 27 25.198 -6.676 -2.365
182 HD2 TYR 27 HD2 TYR 27 21.133 -7.842 -1.898
183 HE1 TYR 27 HE1 TYR 27 25.864 -8.273 -0.617
184 HE2 TYR 27 HE2 TYR 27 21.787 -9.442 -0.148
185 HH TYR 27 HH TYR 27 23.707 -10.647 0.620
186 H GLY 28 H GLY 28 21.108 -2.648 -2.436
187 HA2 GLY 28 HA2 GLY 28 19.969 -1.146 -3.748
188 HA3 GLY 28 HA3 GLY 28 20.994 -1.659 -5.080
189 H LYS 29 H LYS 29 19.327 -4.223 -3.626
190 HA LYS 29 HA LYS 29 17.026 -3.995 -5.412
191 HB2 LYS 29 HB2 LYS 29 19.273 -5.829 -5.781
192 HB3 LYS 29 HB3 LYS 29 17.721 -6.653 -5.709
193 HG2 LYS 29 HG2 LYS 29 16.889 -5.454 -7.565
194 HG3 LYS 29 HG3 LYS 29 18.230 -4.306 -7.515
195 HD2 LYS 29 HD2 LYS 29 18.532 -5.902 -9.329
196 HD3 LYS 29 HD3 LYS 29 19.785 -6.111 -8.103
197 HE2 LYS 29 HE2 LYS 29 19.198 -8.234 -7.814
198 HE3 LYS 29 HE3 LYS 29 17.539 -7.758 -7.454
199 HZ1 LYS 29 HZ1 LYS 29 18.670 -8.806 -9.901
200 HZ2 LYS 29 HZ2 LYS 29 17.606 -7.510 -10.119
201 HZ3 LYS 29 HZ3 LYS 29 17.087 -8.902 -9.310
202 H CYS 30 H CYS 30 15.419 -5.764 -4.994
203 HA CYS 30 HA CYS 30 15.264 -6.223 -2.109
204 HB2 CYS 30 HB2 CYS 30 13.382 -5.120 -3.418
205 HB3 CYS 30 HB3 CYS 30 13.086 -6.696 -4.144
206 H LEU 31 H LEU 31 14.927 -8.244 -1.205
207 HA LEU 31 HA LEU 31 14.893 -10.580 -2.944
208 HB2 LEU 31 HB2 LEU 31 16.747 -11.368 -1.098
209 HB3 LEU 31 HB3 LEU 31 17.093 -10.874 -2.754
210 HG LEU 31 HG LEU 31 17.029 -8.779 -0.639
211 HD11 LEU 31 HD11 LEU 31 19.674 -9.552 -0.738
212 HD12 LEU 31 HD12 LEU 31 18.801 -11.079 -0.611
213 HD13 LEU 31 HD13 LEU 31 18.557 -9.821 0.600
214 HD21 LEU 31 HD21 LEU 31 18.172 -7.564 -2.148
215 HD22 LEU 31 HD22 LEU 31 17.525 -8.736 -3.297
216 HD23 LEU 31 HD23 LEU 31 19.159 -8.933 -2.662
217 H VAL 32 H VAL 32 14.927 -12.633 -1.434
218 HA VAL 32 HA VAL 32 12.654 -12.371 0.286
219 HB VAL 32 HB VAL 32 12.870 -14.385 -1.011
220 HG11 VAL 32 HG11 VAL 32 15.599 -14.206 -0.282
221 HG12 VAL 32 HG12 VAL 32 14.990 -15.754 0.305
222 HG13 VAL 32 HG13 VAL 32 14.836 -15.335 -1.402
223 HG21 VAL 32 HG21 VAL 32 13.439 -15.244 1.807
224 HG22 VAL 32 HG22 VAL 32 11.939 -14.424 1.375
225 HG23 VAL 32 HG23 VAL 32 12.345 -15.970 0.630
226 H ARG 33 H ARG 33 12.738 -11.691 2.315
227 HA ARG 33 HA ARG 33 15.138 -11.430 3.789
228 HB2 ARG 33 HB2 ARG 33 13.293 -9.942 4.224
229 HB3 ARG 33 HB3 ARG 33 12.245 -11.291 4.644
230 HG2 ARG 33 HG2 ARG 33 12.918 -10.206 6.656
231 HG3 ARG 33 HG3 ARG 33 13.735 -11.768 6.575
232 HD2 ARG 33 HD2 ARG 33 15.715 -10.554 5.604
233 HD3 ARG 33 HD3 ARG 33 14.891 -9.047 6.003
234 HE ARG 33 HE ARG 33 16.299 -10.748 7.797
235 HH11 ARG 33 HH11 ARG 33 13.573 -8.596 7.562
236 HH12 ARG 33 HH12 ARG 33 13.587 -8.184 9.245
237 HH21 ARG 33 HH21 ARG 33 16.329 -10.213 10.014
238 HH22 ARG 33 HH22 ARG 33 15.156 -9.104 10.639
Start of MODEL 15
1 H1 ASP 1 H ASP 1 1.147 -1.217 0.280
2 HA ASP 1 HA ASP 1 1.843 0.069 -2.256
3 HB2 ASP 1 HB2 ASP 1 2.432 1.362 0.412
4 HB3 ASP 1 HB3 ASP 1 2.750 2.026 -1.189
5 H CYS 2 H CYS 2 2.925 -2.085 -2.336
6 HA CYS 2 HA CYS 2 5.627 -1.838 -1.236
7 HB2 CYS 2 HB2 CYS 2 5.686 -4.153 -0.527
8 HB3 CYS 2 HB3 CYS 2 4.341 -3.342 0.268
9 H GLY 3 H GLY 3 7.162 -3.373 -2.306
10 HA2 GLY 3 HA2 GLY 3 6.501 -3.512 -5.164
11 HA3 GLY 3 HA3 GLY 3 8.121 -3.508 -4.483
12 H HIS 4 H HIS 4 8.307 -5.332 -6.061
13 HA HIS 4 HA HIS 4 7.061 -7.822 -5.222
14 HB2 HIS 4 HB2 HIS 4 9.105 -7.499 -7.413
15 HB3 HIS 4 HB3 HIS 4 7.898 -8.768 -7.229
16 HD1 HIS 4 HD1 HIS 4 8.284 -6.833 -9.748
17 HD2 HIS 4 HD2 HIS 4 5.372 -6.529 -6.800
18 HE1 HIS 4 HE1 HIS 4 6.393 -5.552 -10.801
19 H LEU 5 H LEU 5 8.811 -9.758 -5.550
20 HA LEU 5 HA LEU 5 10.493 -9.553 -3.257
21 HB2 LEU 5 HB2 LEU 5 9.682 -11.682 -3.529
22 HB3 LEU 5 HB3 LEU 5 9.876 -11.646 -5.281
23 HG LEU 5 HG LEU 5 12.289 -11.957 -5.021
24 HD11 LEU 5 HD11 LEU 5 13.332 -12.303 -2.929
25 HD12 LEU 5 HD12 LEU 5 11.787 -12.342 -2.081
26 HD13 LEU 5 HD13 LEU 5 12.377 -10.829 -2.768
27 HD21 LEU 5 HD21 LEU 5 11.556 -14.181 -3.368
28 HD22 LEU 5 HD22 LEU 5 11.910 -14.143 -5.095
29 HD23 LEU 5 HD23 LEU 5 10.268 -13.842 -4.525
30 H HIS 6 H HIS 6 11.147 -9.909 -6.738
31 HA HIS 6 HA HIS 6 13.958 -9.238 -6.246
32 HB2 HIS 6 HB2 HIS 6 12.575 -10.332 -8.703
33 HB3 HIS 6 HB3 HIS 6 14.291 -9.948 -8.615
34 HD1 HIS 6 HD1 HIS 6 15.318 -11.245 -6.215
35 HD2 HIS 6 HD2 HIS 6 12.286 -12.995 -8.452
36 HE1 HIS 6 HE1 HIS 6 15.386 -13.692 -5.640
37 H ASP 7 H ASP 7 11.644 -7.330 -6.222
38 HA ASP 7 HA ASP 7 12.091 -5.671 -8.557
39 HB2 ASP 7 HB2 ASP 7 10.028 -5.954 -6.605
40 HB3 ASP 7 HB3 ASP 7 10.595 -4.287 -6.568
41 HA PRO 8 HA PRO 8 15.177 -3.033 -6.893
42 HB2 PRO 8 HB2 PRO 8 14.513 -0.659 -8.031
43 HB3 PRO 8 HB3 PRO 8 15.226 -1.995 -8.943
44 HG2 PRO 8 HG2 PRO 8 12.358 -1.161 -8.735
45 HG3 PRO 8 HG3 PRO 8 13.276 -1.665 -10.166
46 HD2 PRO 8 HD2 PRO 8 11.591 -3.331 -8.856
47 HD3 PRO 8 HD3 PRO 8 13.059 -3.906 -9.672
48 H CYS 9 H CYS 9 15.573 -1.278 -5.446
49 HA CYS 9 HA CYS 9 13.268 -0.024 -4.177
50 HB2 CYS 9 HB2 CYS 9 14.149 -0.651 -1.904
51 HB3 CYS 9 HB3 CYS 9 13.475 -1.990 -2.827
52 HA PRO 10 HA PRO 10 17.084 2.640 -4.675
53 HB2 PRO 10 HB2 PRO 10 15.854 4.601 -6.093
54 HB3 PRO 10 HB3 PRO 10 16.589 3.184 -6.852
55 HG2 PRO 10 HG2 PRO 10 13.713 3.708 -6.205
56 HG3 PRO 10 HG3 PRO 10 14.420 3.002 -7.670
57 HD2 PRO 10 HD2 PRO 10 13.291 1.495 -5.724
58 HD3 PRO 10 HD3 PRO 10 14.655 0.922 -6.705
59 H ASN 11 H ASN 11 13.719 3.349 -3.884
60 HA ASN 11 HA ASN 11 14.525 5.641 -2.262
61 HB2 ASN 11 HB2 ASN 11 11.852 4.575 -3.159
62 HB3 ASN 11 HB3 ASN 11 11.986 5.824 -1.924
63 HD21 ASN 11 HD21 ASN 11 12.090 5.101 -5.256
64 HD22 ASN 11 HD22 ASN 11 12.397 6.702 -5.829
65 H ASP 12 H ASP 12 15.269 2.939 -1.485
66 HA ASP 12 HA ASP 12 13.580 2.024 0.608
67 HB2 ASP 12 HB2 ASP 12 15.026 0.393 -0.256
68 HB3 ASP 12 HB3 ASP 12 16.424 1.462 -0.186
69 H ARG 13 H ARG 13 13.232 2.983 2.488
70 HA ARG 13 HA ARG 13 15.446 4.440 3.765
71 HB2 ARG 13 HB2 ARG 13 13.538 5.952 4.685
72 HB3 ARG 13 HB3 ARG 13 14.154 6.233 3.062
73 HG2 ARG 13 HG2 ARG 13 12.264 4.929 2.156
74 HG3 ARG 13 HG3 ARG 13 11.629 4.768 3.795
75 HD2 ARG 13 HD2 ARG 13 11.137 7.036 3.959
76 HD3 ARG 13 HD3 ARG 13 12.240 7.467 2.653
77 HE ARG 13 HE ARG 13 10.111 5.814 1.734
78 HH11 ARG 13 HH11 ARG 13 10.927 9.078 2.626
79 HH12 ARG 13 HH12 ARG 13 9.708 9.795 1.625
80 HH21 ARG 13 HH21 ARG 13 8.502 6.745 0.413
81 HH22 ARG 13 HH22 ARG 13 8.329 8.467 0.368
82 HA PRO 14 HA PRO 14 14.540 2.224 7.441
83 HB2 PRO 14 HB2 PRO 14 14.968 4.092 9.365
84 HB3 PRO 14 HB3 PRO 14 16.277 3.354 8.434
85 HG2 PRO 14 HG2 PRO 14 14.944 6.007 8.052
86 HG3 PRO 14 HG3 PRO 14 16.668 5.599 7.973
87 HD2 PRO 14 HD2 PRO 14 15.142 5.913 5.758
88 HD3 PRO 14 HD3 PRO 14 16.503 4.776 5.826
89 H GLY 15 H GLY 15 12.394 1.684 7.504
90 HA2 GLY 15 HA2 GLY 15 10.489 1.862 9.007
91 HA3 GLY 15 HA3 GLY 15 10.625 3.609 8.875
92 H HIS 16 H HIS 16 11.211 2.674 5.855
93 HA HIS 16 HA HIS 16 8.549 2.012 4.979
94 HB2 HIS 16 HB2 HIS 16 9.229 4.746 5.260
95 HB3 HIS 16 HB3 HIS 16 9.225 4.397 3.534
96 HD1 HIS 16 HD1 HIS 16 6.875 2.890 6.088
97 HD2 HIS 16 HD2 HIS 16 6.818 5.511 2.865
98 HE1 HIS 16 HE1 HIS 16 4.445 3.372 5.657
99 H ARG 17 H ARG 17 9.631 0.260 4.025
100 HA ARG 17 HA ARG 17 11.571 0.873 1.920
101 HB2 ARG 17 HB2 ARG 17 10.711 -1.806 3.028
102 HB3 ARG 17 HB3 ARG 17 12.019 -1.530 1.884
103 HG2 ARG 17 HG2 ARG 17 13.005 -0.015 3.724
104 HG3 ARG 17 HG3 ARG 17 11.889 -0.865 4.795
105 HD2 ARG 17 HD2 ARG 17 13.403 -2.639 3.038
106 HD3 ARG 17 HD3 ARG 17 14.419 -1.695 4.127
107 HE ARG 17 HE ARG 17 12.222 -2.888 5.494
108 HH11 ARG 17 HH11 ARG 17 15.380 -3.534 4.177
109 HH12 ARG 17 HH12 ARG 17 15.707 -4.845 5.260
110 HH21 ARG 17 HH21 ARG 17 12.642 -4.614 6.926
111 HH22 ARG 17 HH22 ARG 17 14.149 -5.459 6.823
112 H THR 18 H THR 18 11.364 -0.314 -0.150
113 HA THR 18 HA THR 18 8.599 -0.171 -1.081
114 HB THR 18 HB THR 18 9.438 0.003 -3.290
115 HG1 THR 18 HG1 THR 18 11.699 -1.211 -2.179
116 HG21 THR 18 HG21 THR 18 11.597 1.458 -1.814
117 HG22 THR 18 HG22 THR 18 9.910 1.919 -1.585
118 HG23 THR 18 HG23 THR 18 10.633 1.986 -3.192
119 H CYS 19 H CYS 19 9.773 -2.452 0.490
120 HA CYS 19 HA CYS 19 9.314 -4.602 -1.472
121 HB2 CYS 19 HB2 CYS 19 10.905 -4.600 1.098
122 HB3 CYS 19 HB3 CYS 19 10.524 -6.060 0.191
123 H CYS 20 H CYS 20 7.926 -6.293 -0.951
124 HA CYS 20 HA CYS 20 5.786 -5.593 0.837
125 HB2 CYS 20 HB2 CYS 20 6.080 -7.230 -1.441
126 HB3 CYS 20 HB3 CYS 20 5.615 -8.303 -0.125
127 H ILE 21 H ILE 21 4.881 -7.739 2.047
128 HA ILE 21 HA ILE 21 6.519 -8.056 4.299
129 HB ILE 21 HB ILE 21 4.110 -8.355 4.434
130 HG12 ILE 21 HG12 ILE 21 4.058 -10.402 5.795
131 HG13 ILE 21 HG13 ILE 21 5.589 -10.913 5.094
132 HG21 ILE 21 HG21 ILE 21 4.399 -9.850 2.134
133 HG22 ILE 21 HG22 ILE 21 3.983 -11.049 3.358
134 HG23 ILE 21 HG23 ILE 21 2.922 -9.669 3.080
135 HD11 ILE 21 HD11 ILE 21 5.174 -9.374 7.395
136 HD12 ILE 21 HD12 ILE 21 6.707 -9.775 6.621
137 HD13 ILE 21 HD13 ILE 21 5.865 -8.288 6.189
138 H GLY 22 H GLY 22 7.853 -9.687 5.003
139 HA2 GLY 22 HA2 GLY 22 9.217 -11.539 4.894
140 HA3 GLY 22 HA3 GLY 22 8.166 -12.165 3.632
141 H LEU 23 H LEU 23 9.789 -9.066 3.431
142 HA LEU 23 HA LEU 23 11.710 -10.194 1.519
143 HB2 LEU 23 HB2 LEU 23 9.981 -7.765 1.077
144 HB3 LEU 23 HB3 LEU 23 11.335 -8.231 0.049
145 HG LEU 23 HG LEU 23 8.803 -9.823 0.459
146 HD11 LEU 23 HD11 LEU 23 9.632 -7.776 -1.496
147 HD12 LEU 23 HD12 LEU 23 8.022 -8.240 -0.945
148 HD13 LEU 23 HD13 LEU 23 8.856 -9.216 -2.154
149 HD21 LEU 23 HD21 LEU 23 10.127 -11.523 -0.163
150 HD22 LEU 23 HD22 LEU 23 11.408 -10.451 -0.729
151 HD23 LEU 23 HD23 LEU 23 10.026 -10.799 -1.768
152 H GLN 24 H GLN 24 13.408 -8.503 0.927
153 HA GLN 24 HA GLN 24 13.901 -6.513 2.981
154 HB2 GLN 24 HB2 GLN 24 14.912 -8.363 4.071
155 HB3 GLN 24 HB3 GLN 24 15.648 -8.934 2.579
156 HG2 GLN 24 HG2 GLN 24 17.366 -7.455 2.690
157 HG3 GLN 24 HG3 GLN 24 16.409 -6.236 3.532
158 HE21 GLN 24 HE21 GLN 24 17.748 -9.483 4.019
159 HE22 GLN 24 HE22 GLN 24 18.188 -9.241 5.671
160 H CYS 25 H CYS 25 15.350 -4.911 2.360
161 HA CYS 25 HA CYS 25 15.990 -4.911 -0.503
162 HB2 CYS 25 HB2 CYS 25 14.623 -3.042 0.259
163 HB3 CYS 25 HB3 CYS 25 15.822 -2.634 1.482
164 H ARG 26 H ARG 26 17.984 -5.552 -0.971
165 HA ARG 26 HA ARG 26 20.231 -4.338 0.418
166 HB2 ARG 26 HB2 ARG 26 19.844 -7.331 0.250
167 HB3 ARG 26 HB3 ARG 26 21.355 -6.552 0.700
168 HG2 ARG 26 HG2 ARG 26 18.778 -6.137 2.192
169 HG3 ARG 26 HG3 ARG 26 19.955 -7.386 2.603
170 HD2 ARG 26 HD2 ARG 26 21.644 -5.409 2.624
171 HD3 ARG 26 HD3 ARG 26 20.200 -4.412 2.792
172 HE ARG 26 HE ARG 26 21.356 -6.149 4.780
173 HH11 ARG 26 HH11 ARG 26 18.493 -4.472 3.725
174 HH12 ARG 26 HH12 ARG 26 17.774 -4.439 5.301
175 HH21 ARG 26 HH21 ARG 26 20.420 -6.111 6.860
176 HH22 ARG 26 HH22 ARG 26 18.871 -5.370 7.083
177 H TYR 27 H TYR 27 22.137 -4.300 -0.793
178 HA TYR 27 HA TYR 27 23.414 -4.228 -2.673
179 HB2 TYR 27 HB2 TYR 27 21.764 -6.488 -3.788
180 HB3 TYR 27 HB3 TYR 27 23.453 -6.108 -4.108
181 HD1 TYR 27 HD2 TYR 27 25.178 -6.613 -2.413
182 HD2 TYR 27 HD1 TYR 27 21.121 -7.780 -1.877
183 HE1 TYR 27 HE2 TYR 27 25.869 -8.185 -0.652
184 HE2 TYR 27 HE1 TYR 27 21.801 -9.354 -0.113
185 HH TYR 27 HH TYR 27 25.152 -9.534 0.996
186 H GLY 28 H GLY 28 21.077 -2.593 -2.497
187 HA2 GLY 28 HA2 GLY 28 19.934 -1.107 -3.824
188 HA3 GLY 28 HA3 GLY 28 20.953 -1.638 -5.154
189 H LYS 29 H LYS 29 19.297 -4.187 -3.666
190 HA LYS 29 HA LYS 29 16.980 -3.977 -5.430
191 HB2 LYS 29 HB2 LYS 29 19.235 -5.778 -5.842
192 HB3 LYS 29 HB3 LYS 29 17.708 -6.641 -5.705
193 HG2 LYS 29 HG2 LYS 29 16.788 -5.525 -7.557
194 HG3 LYS 29 HG3 LYS 29 18.060 -4.301 -7.551
195 HD2 LYS 29 HD2 LYS 29 18.423 -5.878 -9.359
196 HD3 LYS 29 HD3 LYS 29 19.702 -6.033 -8.153
197 HE2 LYS 29 HE2 LYS 29 18.799 -8.037 -7.306
198 HE3 LYS 29 HE3 LYS 29 17.260 -7.785 -8.129
199 HZ1 LYS 29 HZ1 LYS 29 18.374 -9.395 -9.379
200 HZ2 LYS 29 HZ2 LYS 29 19.854 -8.579 -9.306
201 HZ3 LYS 29 HZ3 LYS 29 18.597 -7.965 -10.256
202 H CYS 30 H CYS 30 15.413 -5.807 -5.004
203 HA CYS 30 HA CYS 30 15.276 -6.234 -2.111
204 HB2 CYS 30 HB2 CYS 30 13.379 -5.179 -3.514
205 HB3 CYS 30 HB3 CYS 30 13.063 -6.822 -4.061
206 H LEU 31 H LEU 31 14.972 -8.252 -1.192
207 HA LEU 31 HA LEU 31 14.955 -10.599 -2.919
208 HB2 LEU 31 HB2 LEU 31 16.828 -11.331 -1.051
209 HB3 LEU 31 HB3 LEU 31 17.150 -10.898 -2.728
210 HG LEU 31 HG LEU 31 17.109 -8.753 -0.651
211 HD11 LEU 31 HD11 LEU 31 19.105 -10.931 -0.899
212 HD12 LEU 31 HD12 LEU 31 18.611 -9.997 0.513
213 HD13 LEU 31 HD13 LEU 31 19.708 -9.289 -0.672
214 HD21 LEU 31 HD21 LEU 31 17.537 -7.675 -2.572
215 HD22 LEU 31 HD22 LEU 31 18.041 -9.146 -3.404
216 HD23 LEU 31 HD23 LEU 31 19.175 -8.293 -2.356
217 H VAL 32 H VAL 32 15.019 -12.643 -1.398
218 HA VAL 32 HA VAL 32 12.760 -12.378 0.351
219 HB VAL 32 HB VAL 32 12.934 -14.380 -0.971
220 HG11 VAL 32 HG11 VAL 32 15.065 -15.780 0.298
221 HG12 VAL 32 HG12 VAL 32 14.883 -15.351 -1.404
222 HG13 VAL 32 HG13 VAL 32 15.677 -14.235 -0.292
223 HG21 VAL 32 HG21 VAL 32 13.567 -15.567 1.652
224 HG22 VAL 32 HG22 VAL 32 12.295 -14.346 1.647
225 HG23 VAL 32 HG23 VAL 32 12.150 -15.775 0.623
226 H ARG 33 H ARG 33 12.893 -11.714 2.383
227 HA ARG 33 HA ARG 33 15.368 -11.626 3.811
228 HB2 ARG 33 HB2 ARG 33 13.443 -9.982 4.024
229 HB3 ARG 33 HB3 ARG 33 12.612 -11.214 4.965
230 HG2 ARG 33 HG2 ARG 33 14.523 -11.210 6.551
231 HG3 ARG 33 HG3 ARG 33 15.212 -9.861 5.645
232 HD2 ARG 33 HD2 ARG 33 13.887 -8.405 6.681
233 HD3 ARG 33 HD3 ARG 33 12.452 -9.351 6.287
234 HE ARG 33 HE ARG 33 13.514 -10.718 8.353
235 HH11 ARG 33 HH11 ARG 33 12.746 -7.354 7.886
236 HH12 ARG 33 HH12 ARG 33 12.410 -7.064 9.561
237 HH21 ARG 33 HH21 ARG 33 13.074 -10.348 10.560
238 HH22 ARG 33 HH22 ARG 33 12.598 -8.768 11.081
Start of MODEL 16
1 H1 ASP 1 H ASP 1 0.847 -1.725 -0.667
2 HA ASP 1 HA ASP 1 1.951 0.504 -2.246
3 HB2 ASP 1 HB2 ASP 1 1.948 0.500 0.763
4 HB3 ASP 1 HB3 ASP 1 2.187 1.856 -0.335
5 H CYS 2 H CYS 2 2.824 -2.226 -2.237
6 HA CYS 2 HA CYS 2 5.543 -1.825 -1.202
7 HB2 CYS 2 HB2 CYS 2 5.664 -4.122 -0.434
8 HB3 CYS 2 HB3 CYS 2 4.302 -3.320 0.342
9 H GLY 3 H GLY 3 7.127 -3.346 -2.220
10 HA2 GLY 3 HA2 GLY 3 6.505 -3.557 -5.079
11 HA3 GLY 3 HA3 GLY 3 8.114 -3.541 -4.372
12 H HIS 4 H HIS 4 8.250 -5.391 -5.969
13 HA HIS 4 HA HIS 4 7.037 -7.869 -5.045
14 HB2 HIS 4 HB2 HIS 4 9.006 -7.595 -7.309
15 HB3 HIS 4 HB3 HIS 4 7.789 -8.845 -7.065
16 HD1 HIS 4 HD1 HIS 4 8.137 -6.920 -9.615
17 HD2 HIS 4 HD2 HIS 4 5.288 -6.604 -6.607
18 HE1 HIS 4 HE1 HIS 4 6.225 -5.641 -10.631
19 H LEU 5 H LEU 5 8.805 -9.798 -5.437
20 HA LEU 5 HA LEU 5 10.543 -9.575 -3.189
21 HB2 LEU 5 HB2 LEU 5 9.745 -11.714 -3.465
22 HB3 LEU 5 HB3 LEU 5 9.929 -11.670 -5.217
23 HG LEU 5 HG LEU 5 12.334 -11.968 -4.990
24 HD11 LEU 5 HD11 LEU 5 11.873 -12.234 -2.027
25 HD12 LEU 5 HD12 LEU 5 12.511 -10.782 -2.798
26 HD13 LEU 5 HD13 LEU 5 13.411 -12.296 -2.890
27 HD21 LEU 5 HD21 LEU 5 11.016 -14.033 -3.255
28 HD22 LEU 5 HD22 LEU 5 12.315 -14.243 -4.429
29 HD23 LEU 5 HD23 LEU 5 10.673 -13.907 -4.981
30 H HIS 6 H HIS 6 11.169 -10.036 -6.670
31 HA HIS 6 HA HIS 6 13.960 -9.278 -6.247
32 HB2 HIS 6 HB2 HIS 6 12.534 -10.389 -8.671
33 HB3 HIS 6 HB3 HIS 6 14.246 -9.980 -8.627
34 HD1 HIS 6 HD1 HIS 6 15.360 -11.263 -6.263
35 HD2 HIS 6 HD2 HIS 6 12.283 -13.055 -8.404
36 HE1 HIS 6 HE1 HIS 6 15.476 -13.708 -5.687
37 H ASP 7 H ASP 7 11.617 -7.400 -6.177
38 HA ASP 7 HA ASP 7 12.006 -5.732 -8.517
39 HB2 ASP 7 HB2 ASP 7 9.975 -6.048 -6.535
40 HB3 ASP 7 HB3 ASP 7 10.514 -4.371 -6.511
41 HA PRO 8 HA PRO 8 15.064 -3.039 -6.891
42 HB2 PRO 8 HB2 PRO 8 14.331 -0.670 -7.994
43 HB3 PRO 8 HB3 PRO 8 15.052 -1.983 -8.932
44 HG2 PRO 8 HG2 PRO 8 12.173 -1.208 -8.660
45 HG3 PRO 8 HG3 PRO 8 13.072 -1.681 -10.114
46 HD2 PRO 8 HD2 PRO 8 11.447 -3.392 -8.785
47 HD3 PRO 8 HD3 PRO 8 12.909 -3.930 -9.636
48 H CYS 9 H CYS 9 15.441 -1.205 -5.496
49 HA CYS 9 HA CYS 9 13.134 -0.055 -4.144
50 HB2 CYS 9 HB2 CYS 9 14.107 -0.644 -1.898
51 HB3 CYS 9 HB3 CYS 9 13.453 -2.008 -2.799
52 HA PRO 10 HA PRO 10 16.825 2.753 -4.761
53 HB2 PRO 10 HB2 PRO 10 15.471 4.670 -6.125
54 HB3 PRO 10 HB3 PRO 10 16.230 3.284 -6.916
55 HG2 PRO 10 HG2 PRO 10 13.363 3.697 -6.161
56 HG3 PRO 10 HG3 PRO 10 14.041 3.023 -7.654
57 HD2 PRO 10 HD2 PRO 10 13.042 1.468 -5.675
58 HD3 PRO 10 HD3 PRO 10 14.390 0.950 -6.708
59 H ASN 11 H ASN 11 13.466 3.342 -3.854
60 HA ASN 11 HA ASN 11 14.251 5.648 -2.240
61 HB2 ASN 11 HB2 ASN 11 11.626 4.540 -3.180
62 HB3 ASN 11 HB3 ASN 11 11.672 5.642 -1.807
63 HD21 ASN 11 HD21 ASN 11 11.646 5.360 -5.162
64 HD22 ASN 11 HD22 ASN 11 11.941 7.017 -5.554
65 H ASP 12 H ASP 12 15.095 2.962 -1.507
66 HA ASP 12 HA ASP 12 13.499 1.971 0.619
67 HB2 ASP 12 HB2 ASP 12 15.088 0.511 -0.464
68 HB3 ASP 12 HB3 ASP 12 16.425 1.575 -0.033
69 H ARG 13 H ARG 13 13.153 2.899 2.515
70 HA ARG 13 HA ARG 13 15.348 4.346 3.816
71 HB2 ARG 13 HB2 ARG 13 13.468 5.952 4.642
72 HB3 ARG 13 HB3 ARG 13 14.177 6.191 3.051
73 HG2 ARG 13 HG2 ARG 13 12.279 4.991 2.048
74 HG3 ARG 13 HG3 ARG 13 11.560 4.830 3.652
75 HD2 ARG 13 HD2 ARG 13 11.044 7.062 3.793
76 HD3 ARG 13 HD3 ARG 13 12.340 7.540 2.698
77 HE ARG 13 HE ARG 13 9.654 6.787 1.988
78 HH11 ARG 13 HH11 ARG 13 12.944 7.084 0.888
79 HH12 ARG 13 HH12 ARG 13 12.511 7.215 -0.784
80 HH21 ARG 13 HH21 ARG 13 9.071 6.959 -0.211
81 HH22 ARG 13 HH22 ARG 13 10.307 7.145 -1.408
82 HA PRO 14 HA PRO 14 14.195 2.220 7.476
83 HB2 PRO 14 HB2 PRO 14 14.650 4.086 9.395
84 HB3 PRO 14 HB3 PRO 14 15.952 3.270 8.521
85 HG2 PRO 14 HG2 PRO 14 14.773 5.983 8.062
86 HG3 PRO 14 HG3 PRO 14 16.476 5.486 8.052
87 HD2 PRO 14 HD2 PRO 14 15.050 5.851 5.779
88 HD3 PRO 14 HD3 PRO 14 16.347 4.646 5.909
89 H GLY 15 H GLY 15 12.034 1.778 7.509
90 HA2 GLY 15 HA2 GLY 15 10.093 2.093 8.945
91 HA3 GLY 15 HA3 GLY 15 10.311 3.826 8.755
92 H HIS 16 H HIS 16 10.950 2.823 5.789
93 HA HIS 16 HA HIS 16 8.305 2.194 4.839
94 HB2 HIS 16 HB2 HIS 16 8.520 4.782 5.262
95 HB3 HIS 16 HB3 HIS 16 9.418 4.750 3.747
96 HD1 HIS 16 HD1 HIS 16 6.268 2.817 4.617
97 HD2 HIS 16 HD2 HIS 16 7.599 5.752 1.995
98 HE1 HIS 16 HE1 HIS 16 4.349 3.237 3.048
99 H ARG 17 H ARG 17 9.475 0.401 4.007
100 HA ARG 17 HA ARG 17 11.452 0.960 1.929
101 HB2 ARG 17 HB2 ARG 17 10.545 -1.680 3.094
102 HB3 ARG 17 HB3 ARG 17 11.866 -1.460 1.953
103 HG2 ARG 17 HG2 ARG 17 12.973 -0.003 3.672
104 HG3 ARG 17 HG3 ARG 17 11.725 -0.523 4.805
105 HD2 ARG 17 HD2 ARG 17 12.639 -2.560 5.067
106 HD3 ARG 17 HD3 ARG 17 13.040 -2.705 3.356
107 HE ARG 17 HE ARG 17 15.151 -1.993 3.845
108 HH11 ARG 17 HH11 ARG 17 13.031 -1.071 6.448
109 HH12 ARG 17 HH12 ARG 17 14.310 -0.477 7.454
110 HH21 ARG 17 HH21 ARG 17 16.844 -1.214 5.160
111 HH22 ARG 17 HH22 ARG 17 16.479 -0.558 6.720
112 H THR 18 H THR 18 11.301 -0.260 -0.123
113 HA THR 18 HA THR 18 8.565 -0.132 -1.138
114 HB THR 18 HB THR 18 9.473 -0.015 -3.326
115 HG1 THR 18 HG1 THR 18 11.057 -1.600 -3.250
116 HG21 THR 18 HG21 THR 18 11.601 1.494 -1.879
117 HG22 THR 18 HG22 THR 18 9.914 1.926 -1.599
118 HG23 THR 18 HG23 THR 18 10.583 1.996 -3.229
119 H CYS 19 H CYS 19 9.728 -2.387 0.505
120 HA CYS 19 HA CYS 19 9.273 -4.571 -1.421
121 HB2 CYS 19 HB2 CYS 19 10.888 -4.506 1.131
122 HB3 CYS 19 HB3 CYS 19 10.480 -5.996 0.288
123 H CYS 20 H CYS 20 7.932 -6.297 -0.823
124 HA CYS 20 HA CYS 20 5.766 -5.556 0.917
125 HB2 CYS 20 HB2 CYS 20 6.121 -7.307 -1.277
126 HB3 CYS 20 HB3 CYS 20 5.621 -8.301 0.087
127 H ILE 21 H ILE 21 4.924 -7.822 2.105
128 HA ILE 21 HA ILE 21 6.516 -7.960 4.429
129 HB ILE 21 HB ILE 21 4.097 -8.356 4.475
130 HG12 ILE 21 HG12 ILE 21 5.212 -10.967 5.373
131 HG13 ILE 21 HG13 ILE 21 5.925 -9.506 6.048
132 HG21 ILE 21 HG21 ILE 21 3.020 -9.975 3.325
133 HG22 ILE 21 HG22 ILE 21 4.433 -9.862 2.277
134 HG23 ILE 21 HG23 ILE 21 4.342 -11.129 3.500
135 HD11 ILE 21 HD11 ILE 21 3.181 -9.113 6.240
136 HD12 ILE 21 HD12 ILE 21 3.438 -10.801 6.684
137 HD13 ILE 21 HD13 ILE 21 4.297 -9.523 7.543
138 H GLY 22 H GLY 22 7.834 -9.579 5.245
139 HA2 GLY 22 HA2 GLY 22 9.317 -11.333 5.196
140 HA3 GLY 22 HA3 GLY 22 8.290 -12.064 3.972
141 H LEU 23 H LEU 23 9.815 -8.921 3.636
142 HA LEU 23 HA LEU 23 11.740 -10.069 1.738
143 HB2 LEU 23 HB2 LEU 23 9.893 -7.740 1.266
144 HB3 LEU 23 HB3 LEU 23 11.313 -8.066 0.274
145 HG LEU 23 HG LEU 23 8.897 -9.849 0.571
146 HD11 LEU 23 HD11 LEU 23 8.953 -9.287 -2.008
147 HD12 LEU 23 HD12 LEU 23 9.755 -7.827 -1.429
148 HD13 LEU 23 HD13 LEU 23 8.140 -8.234 -0.849
149 HD21 LEU 23 HD21 LEU 23 11.598 -10.324 -0.445
150 HD22 LEU 23 HD22 LEU 23 10.319 -10.740 -1.585
151 HD23 LEU 23 HD23 LEU 23 10.341 -11.470 0.021
152 H GLN 24 H GLN 24 13.421 -8.394 1.097
153 HA GLN 24 HA GLN 24 13.900 -6.323 3.071
154 HB2 GLN 24 HB2 GLN 24 14.934 -8.079 4.258
155 HB3 GLN 24 HB3 GLN 24 15.625 -8.772 2.796
156 HG2 GLN 24 HG2 GLN 24 17.356 -7.286 2.738
157 HG3 GLN 24 HG3 GLN 24 16.451 -6.030 3.581
158 HE21 GLN 24 HE21 GLN 24 17.443 -9.374 4.256
159 HE22 GLN 24 HE22 GLN 24 18.090 -9.044 5.824
160 H CYS 25 H CYS 25 15.333 -4.736 2.385
161 HA CYS 25 HA CYS 25 15.973 -4.844 -0.474
162 HB2 CYS 25 HB2 CYS 25 14.620 -2.944 0.205
163 HB3 CYS 25 HB3 CYS 25 15.799 -2.506 1.437
164 H ARG 26 H ARG 26 17.964 -5.498 -0.935
165 HA ARG 26 HA ARG 26 20.219 -4.252 0.414
166 HB2 ARG 26 HB2 ARG 26 19.834 -7.249 0.308
167 HB3 ARG 26 HB3 ARG 26 21.341 -6.455 0.747
168 HG2 ARG 26 HG2 ARG 26 18.764 -6.001 2.224
169 HG3 ARG 26 HG3 ARG 26 19.920 -7.261 2.657
170 HD2 ARG 26 HD2 ARG 26 21.655 -5.378 2.728
171 HD3 ARG 26 HD3 ARG 26 20.274 -4.281 2.729
172 HE ARG 26 HE ARG 26 19.895 -4.827 4.916
173 HH11 ARG 26 HH11 ARG 26 21.987 -7.222 3.498
174 HH12 ARG 26 HH12 ARG 26 22.299 -8.028 5.000
175 HH21 ARG 26 HH21 ARG 26 20.298 -5.880 6.899
176 HH22 ARG 26 HH22 ARG 26 21.336 -7.264 6.934
177 H TYR 27 H TYR 27 22.123 -4.252 -0.803
178 HA TYR 27 HA TYR 27 23.392 -4.222 -2.690
179 HB2 TYR 27 HB2 TYR 27 21.731 -6.499 -3.752
180 HB3 TYR 27 HB3 TYR 27 23.420 -6.133 -4.083
181 HD1 TYR 27 HD2 TYR 27 25.148 -6.609 -2.383
182 HD2 TYR 27 HD1 TYR 27 21.088 -7.747 -1.810
183 HE1 TYR 27 HE2 TYR 27 25.837 -8.146 -0.591
184 HE2 TYR 27 HE1 TYR 27 21.766 -9.286 -0.016
185 HH TYR 27 HH TYR 27 23.498 -9.786 1.424
186 H GLY 28 H GLY 28 21.061 -2.576 -2.540
187 HA2 GLY 28 HA2 GLY 28 19.917 -1.115 -3.894
188 HA3 GLY 28 HA3 GLY 28 20.929 -1.678 -5.216
189 H LYS 29 H LYS 29 19.273 -4.191 -3.669
190 HA LYS 29 HA LYS 29 16.952 -4.012 -5.433
191 HB2 LYS 29 HB2 LYS 29 19.188 -5.876 -5.757
192 HB3 LYS 29 HB3 LYS 29 17.622 -6.673 -5.672
193 HG2 LYS 29 HG2 LYS 29 16.847 -5.639 -7.596
194 HG3 LYS 29 HG3 LYS 29 18.039 -4.341 -7.497
195 HD2 LYS 29 HD2 LYS 29 19.553 -6.665 -7.686
196 HD3 LYS 29 HD3 LYS 29 18.212 -6.921 -8.805
197 HE2 LYS 29 HE2 LYS 29 18.759 -5.031 -10.070
198 HE3 LYS 29 HE3 LYS 29 19.765 -4.354 -8.790
199 HZ1 LYS 29 HZ1 LYS 29 21.530 -5.557 -9.427
200 HZ2 LYS 29 HZ2 LYS 29 20.722 -5.669 -10.909
201 HZ3 LYS 29 HZ3 LYS 29 20.617 -6.934 -9.790
202 H CYS 30 H CYS 30 15.377 -5.824 -4.958
203 HA CYS 30 HA CYS 30 15.231 -6.163 -2.055
204 HB2 CYS 30 HB2 CYS 30 13.329 -5.134 -3.385
205 HB3 CYS 30 HB3 CYS 30 13.057 -6.733 -4.070
206 H LEU 31 H LEU 31 14.876 -8.158 -1.078
207 HA LEU 31 HA LEU 31 14.869 -10.558 -2.717
208 HB2 LEU 31 HB2 LEU 31 16.767 -11.251 -0.877
209 HB3 LEU 31 HB3 LEU 31 17.075 -10.823 -2.559
210 HG LEU 31 HG LEU 31 17.035 -8.652 -0.518
211 HD11 LEU 31 HD11 LEU 31 19.634 -9.217 -0.491
212 HD12 LEU 31 HD12 LEU 31 19.007 -10.856 -0.668
213 HD13 LEU 31 HD13 LEU 31 18.511 -9.865 0.704
214 HD21 LEU 31 HD21 LEU 31 18.022 -9.122 -3.242
215 HD22 LEU 31 HD22 LEU 31 19.132 -8.240 -2.192
216 HD23 LEU 31 HD23 LEU 31 17.499 -7.628 -2.462
217 H VAL 32 H VAL 32 14.918 -12.551 -1.155
218 HA VAL 32 HA VAL 32 12.681 -12.257 0.591
219 HB VAL 32 HB VAL 32 14.535 -14.610 0.199
220 HG11 VAL 32 HG11 VAL 32 12.432 -14.138 2.107
221 HG12 VAL 32 HG12 VAL 32 12.022 -15.487 1.047
222 HG13 VAL 32 HG13 VAL 32 13.529 -15.511 1.964
223 HG21 VAL 32 HG21 VAL 32 11.850 -13.948 -1.003
224 HG22 VAL 32 HG22 VAL 32 13.395 -14.034 -1.848
225 HG23 VAL 32 HG23 VAL 32 12.674 -15.497 -1.176
226 H ARG 33 H ARG 33 12.756 -11.489 2.589
227 HA ARG 33 HA ARG 33 15.087 -10.958 4.029
228 HB2 ARG 33 HB2 ARG 33 12.634 -10.090 4.324
229 HB3 ARG 33 HB3 ARG 33 12.485 -11.449 5.431
230 HG2 ARG 33 HG2 ARG 33 14.703 -9.451 5.694
231 HG3 ARG 33 HG3 ARG 33 13.111 -9.173 6.402
232 HD2 ARG 33 HD2 ARG 33 14.949 -11.498 6.963
233 HD3 ARG 33 HD3 ARG 33 14.603 -10.150 8.045
234 HE ARG 33 HE ARG 33 12.167 -11.294 7.461
235 HH11 ARG 33 HH11 ARG 33 15.161 -12.311 8.916
236 HH12 ARG 33 HH12 ARG 33 14.413 -13.482 9.951
237 HH21 ARG 33 HH21 ARG 33 11.169 -12.833 8.818
238 HH22 ARG 33 HH22 ARG 33 12.142 -13.778 9.893
Start of MODEL 17
1 H1 ASP 1 H ASP 1 2.511 1.285 0.364
2 HA ASP 1 HA ASP 1 1.344 -0.780 -1.295
3 HB2 ASP 1 HB2 ASP 1 2.477 1.762 -2.433
4 HB3 ASP 1 HB3 ASP 1 2.544 0.257 -3.346
5 H CYS 2 H CYS 2 2.816 -2.323 -1.939
6 HA CYS 2 HA CYS 2 5.601 -1.899 -1.074
7 HB2 CYS 2 HB2 CYS 2 5.708 -4.210 -0.349
8 HB3 CYS 2 HB3 CYS 2 4.363 -3.410 0.457
9 H GLY 3 H GLY 3 7.155 -3.420 -2.140
10 HA2 GLY 3 HA2 GLY 3 6.495 -3.572 -4.994
11 HA3 GLY 3 HA3 GLY 3 8.113 -3.583 -4.309
12 H HIS 4 H HIS 4 8.215 -5.405 -5.938
13 HA HIS 4 HA HIS 4 6.992 -7.888 -5.043
14 HB2 HIS 4 HB2 HIS 4 8.935 -7.591 -7.326
15 HB3 HIS 4 HB3 HIS 4 7.711 -8.835 -7.089
16 HD1 HIS 4 HD1 HIS 4 8.045 -6.867 -9.609
17 HD2 HIS 4 HD2 HIS 4 5.235 -6.581 -6.562
18 HE1 HIS 4 HE1 HIS 4 6.132 -5.554 -10.579
19 H LEU 5 H LEU 5 8.739 -9.824 -5.492
20 HA LEU 5 HA LEU 5 10.505 -9.657 -3.261
21 HB2 LEU 5 HB2 LEU 5 9.686 -11.784 -3.566
22 HB3 LEU 5 HB3 LEU 5 9.849 -11.709 -5.319
23 HG LEU 5 HG LEU 5 12.254 -12.032 -5.126
24 HD11 LEU 5 HD11 LEU 5 13.352 -12.407 -3.044
25 HD12 LEU 5 HD12 LEU 5 11.826 -12.345 -2.163
26 HD13 LEU 5 HD13 LEU 5 12.468 -10.886 -2.916
27 HD21 LEU 5 HD21 LEU 5 10.989 -14.127 -3.397
28 HD22 LEU 5 HD22 LEU 5 12.210 -14.311 -4.657
29 HD23 LEU 5 HD23 LEU 5 10.539 -13.951 -5.094
30 H HIS 6 H HIS 6 11.087 -10.063 -6.756
31 HA HIS 6 HA HIS 6 13.889 -9.334 -6.354
32 HB2 HIS 6 HB2 HIS 6 12.425 -10.390 -8.780
33 HB3 HIS 6 HB3 HIS 6 14.141 -9.996 -8.748
34 HD1 HIS 6 HD1 HIS 6 15.271 -11.330 -6.421
35 HD2 HIS 6 HD2 HIS 6 12.155 -13.058 -8.558
36 HE1 HIS 6 HE1 HIS 6 15.372 -13.786 -5.890
37 H ASP 7 H ASP 7 11.562 -7.439 -6.223
38 HA ASP 7 HA ASP 7 11.937 -5.733 -8.536
39 HB2 ASP 7 HB2 ASP 7 9.928 -6.067 -6.536
40 HB3 ASP 7 HB3 ASP 7 10.482 -4.396 -6.489
41 HA PRO 8 HA PRO 8 15.038 -3.095 -6.901
42 HB2 PRO 8 HB2 PRO 8 14.312 -0.700 -7.954
43 HB3 PRO 8 HB3 PRO 8 15.011 -2.004 -8.922
44 HG2 PRO 8 HG2 PRO 8 12.142 -1.209 -8.603
45 HG3 PRO 8 HG3 PRO 8 13.020 -1.664 -10.075
46 HD2 PRO 8 HD2 PRO 8 11.396 -3.384 -8.758
47 HD3 PRO 8 HD3 PRO 8 12.843 -3.919 -9.635
48 H CYS 9 H CYS 9 15.447 -1.288 -5.479
49 HA CYS 9 HA CYS 9 13.167 -0.141 -4.080
50 HB2 CYS 9 HB2 CYS 9 14.158 -0.781 -1.856
51 HB3 CYS 9 HB3 CYS 9 13.480 -2.122 -2.774
52 HA PRO 10 HA PRO 10 16.881 2.639 -4.687
53 HB2 PRO 10 HB2 PRO 10 15.533 4.594 -6.002
54 HB3 PRO 10 HB3 PRO 10 16.270 3.214 -6.825
55 HG2 PRO 10 HG2 PRO 10 13.415 3.644 -6.034
56 HG3 PRO 10 HG3 PRO 10 14.070 2.989 -7.545
57 HD2 PRO 10 HD2 PRO 10 13.076 1.410 -5.583
58 HD3 PRO 10 HD3 PRO 10 14.407 0.897 -6.639
59 H ASN 11 H ASN 11 13.537 3.247 -3.735
60 HA ASN 11 HA ASN 11 14.363 5.515 -2.089
61 HB2 ASN 11 HB2 ASN 11 11.698 4.435 -2.968
62 HB3 ASN 11 HB3 ASN 11 11.812 5.582 -1.636
63 HD21 ASN 11 HD21 ASN 11 11.630 5.200 -4.964
64 HD22 ASN 11 HD22 ASN 11 11.968 6.829 -5.427
65 H ASP 12 H ASP 12 15.187 2.809 -1.412
66 HA ASP 12 HA ASP 12 13.604 1.797 0.713
67 HB2 ASP 12 HB2 ASP 12 15.171 0.346 -0.420
68 HB3 ASP 12 HB3 ASP 12 16.521 1.383 0.033
69 H ARG 13 H ARG 13 13.287 2.695 2.629
70 HA ARG 13 HA ARG 13 15.510 4.100 3.929
71 HB2 ARG 13 HB2 ARG 13 13.653 5.702 4.810
72 HB3 ARG 13 HB3 ARG 13 14.341 5.966 3.213
73 HG2 ARG 13 HG2 ARG 13 12.421 4.795 2.216
74 HG3 ARG 13 HG3 ARG 13 11.723 4.612 3.826
75 HD2 ARG 13 HD2 ARG 13 11.283 6.873 4.035
76 HD3 ARG 13 HD3 ARG 13 12.500 7.323 2.841
77 HE ARG 13 HE ARG 13 10.466 5.822 1.599
78 HH11 ARG 13 HH11 ARG 13 11.041 8.950 3.014
79 HH12 ARG 13 HH12 ARG 13 9.862 9.756 2.033
80 HH21 ARG 13 HH21 ARG 13 8.910 6.871 0.301
81 HH22 ARG 13 HH22 ARG 13 8.650 8.572 0.491
82 HA PRO 14 HA PRO 14 14.392 1.914 7.564
83 HB2 PRO 14 HB2 PRO 14 14.884 3.741 9.511
84 HB3 PRO 14 HB3 PRO 14 16.169 2.933 8.605
85 HG2 PRO 14 HG2 PRO 14 15.002 5.662 8.212
86 HG3 PRO 14 HG3 PRO 14 16.701 5.154 8.169
87 HD2 PRO 14 HD2 PRO 14 15.248 5.570 5.923
88 HD3 PRO 14 HD3 PRO 14 16.538 4.355 6.014
89 H GLY 15 H GLY 15 12.229 1.485 7.617
90 HA2 GLY 15 HA2 GLY 15 10.309 1.784 9.084
91 HA3 GLY 15 HA3 GLY 15 10.536 3.520 8.924
92 H HIS 16 H HIS 16 11.129 2.570 5.932
93 HA HIS 16 HA HIS 16 8.468 1.975 5.005
94 HB2 HIS 16 HB2 HIS 16 8.713 4.556 5.474
95 HB3 HIS 16 HB3 HIS 16 9.579 4.541 3.940
96 HD1 HIS 16 HD1 HIS 16 6.191 3.561 5.341
97 HD2 HIS 16 HD2 HIS 16 7.974 4.640 1.747
98 HE1 HIS 16 HE1 HIS 16 4.303 3.782 3.694
99 H ARG 17 H ARG 17 9.615 0.191 4.124
100 HA ARG 17 HA ARG 17 11.569 0.776 2.031
101 HB2 ARG 17 HB2 ARG 17 10.655 -1.905 3.087
102 HB3 ARG 17 HB3 ARG 17 12.025 -1.609 2.026
103 HG2 ARG 17 HG2 ARG 17 13.018 -0.219 3.870
104 HG3 ARG 17 HG3 ARG 17 11.730 -0.828 4.912
105 HD2 ARG 17 HD2 ARG 17 12.684 -2.852 5.111
106 HD3 ARG 17 HD3 ARG 17 13.157 -2.901 3.413
107 HE ARG 17 HE ARG 17 15.233 -2.204 4.036
108 HH11 ARG 17 HH11 ARG 17 12.978 -1.343 6.545
109 HH12 ARG 17 HH12 ARG 17 14.200 -0.749 7.620
110 HH21 ARG 17 HH21 ARG 17 16.851 -1.424 5.443
111 HH22 ARG 17 HH22 ARG 17 16.403 -0.794 6.991
112 H THR 18 H THR 18 11.383 -0.407 -0.040
113 HA THR 18 HA THR 18 8.637 -0.236 -1.019
114 HB THR 18 HB THR 18 9.521 -0.091 -3.217
115 HG1 THR 18 HG1 THR 18 11.123 -1.495 -3.476
116 HG21 THR 18 HG21 THR 18 10.642 1.912 -3.098
117 HG22 THR 18 HG22 THR 18 11.675 1.379 -1.772
118 HG23 THR 18 HG23 THR 18 9.996 1.817 -1.460
119 H CYS 19 H CYS 19 9.798 -2.531 0.569
120 HA CYS 19 HA CYS 19 9.300 -4.675 -1.389
121 HB2 CYS 19 HB2 CYS 19 10.943 -4.672 1.146
122 HB3 CYS 19 HB3 CYS 19 10.513 -6.142 0.278
123 H CYS 20 H CYS 20 7.952 -6.401 -0.805
124 HA CYS 20 HA CYS 20 5.811 -5.671 0.972
125 HB2 CYS 20 HB2 CYS 20 6.127 -7.388 -1.256
126 HB3 CYS 20 HB3 CYS 20 5.630 -8.399 0.097
127 H ILE 21 H ILE 21 4.961 -7.946 2.132
128 HA ILE 21 HA ILE 21 6.578 -8.140 4.434
129 HB ILE 21 HB ILE 21 4.168 -8.513 4.528
130 HG12 ILE 21 HG12 ILE 21 5.594 -11.067 5.284
131 HG13 ILE 21 HG13 ILE 21 5.755 -9.567 6.192
132 HG21 ILE 21 HG21 ILE 21 3.070 -9.893 3.170
133 HG22 ILE 21 HG22 ILE 21 4.586 -10.105 2.296
134 HG23 ILE 21 HG23 ILE 21 4.134 -11.242 3.567
135 HD11 ILE 21 HD11 ILE 21 2.987 -10.337 5.730
136 HD12 ILE 21 HD12 ILE 21 3.908 -11.526 6.652
137 HD13 ILE 21 HD13 ILE 21 3.804 -9.859 7.218
138 H GLY 22 H GLY 22 7.894 -9.782 5.204
139 HA2 GLY 22 HA2 GLY 22 9.358 -11.551 5.108
140 HA3 GLY 22 HA3 GLY 22 8.310 -12.251 3.884
141 H LEU 23 H LEU 23 9.862 -9.117 3.586
142 HA LEU 23 HA LEU 23 11.755 -10.250 1.646
143 HB2 LEU 23 HB2 LEU 23 9.924 -7.896 1.234
144 HB3 LEU 23 HB3 LEU 23 11.329 -8.219 0.220
145 HG LEU 23 HG LEU 23 8.899 -9.984 0.516
146 HD11 LEU 23 HD11 LEU 23 9.754 -7.939 -1.461
147 HD12 LEU 23 HD12 LEU 23 8.142 -8.340 -0.869
148 HD13 LEU 23 HD13 LEU 23 8.930 -9.382 -2.054
149 HD21 LEU 23 HD21 LEU 23 10.299 -10.843 -1.674
150 HD22 LEU 23 HD22 LEU 23 10.307 -11.614 -0.087
151 HD23 LEU 23 HD23 LEU 23 11.584 -10.477 -0.522
152 H GLN 24 H GLN 24 13.441 -8.577 1.013
153 HA GLN 24 HA GLN 24 13.961 -6.544 3.017
154 HB2 GLN 24 HB2 GLN 24 14.995 -8.329 4.160
155 HB3 GLN 24 HB3 GLN 24 15.662 -9.002 2.678
156 HG2 GLN 24 HG2 GLN 24 17.405 -7.530 2.625
157 HG3 GLN 24 HG3 GLN 24 16.521 -6.281 3.500
158 HE21 GLN 24 HE21 GLN 24 17.502 -9.643 4.101
159 HE22 GLN 24 HE22 GLN 24 18.167 -9.347 5.668
160 H CYS 25 H CYS 25 15.401 -4.958 2.341
161 HA CYS 25 HA CYS 25 16.005 -5.021 -0.527
162 HB2 CYS 25 HB2 CYS 25 14.676 -3.122 0.203
163 HB3 CYS 25 HB3 CYS 25 15.874 -2.715 1.426
164 H ARG 26 H ARG 26 17.985 -5.683 -1.023
165 HA ARG 26 HA ARG 26 20.266 -4.479 0.321
166 HB2 ARG 26 HB2 ARG 26 19.855 -7.470 0.168
167 HB3 ARG 26 HB3 ARG 26 21.374 -6.697 0.602
168 HG2 ARG 26 HG2 ARG 26 18.818 -6.247 2.117
169 HG3 ARG 26 HG3 ARG 26 19.968 -7.526 2.514
170 HD2 ARG 26 HD2 ARG 26 21.707 -5.599 2.538
171 HD3 ARG 26 HD3 ARG 26 20.294 -4.557 2.701
172 HE ARG 26 HE ARG 26 20.052 -6.549 4.614
173 HH11 ARG 26 HH11 ARG 26 22.235 -3.945 3.856
174 HH12 ARG 26 HH12 ARG 26 22.703 -3.684 5.504
175 HH21 ARG 26 HH21 ARG 26 20.659 -6.214 6.787
176 HH22 ARG 26 HH22 ARG 26 21.806 -4.975 7.170
177 H TYR 27 H TYR 27 22.157 -4.474 -0.918
178 HA TYR 27 HA TYR 27 23.404 -4.421 -2.820
179 HB2 TYR 27 HB2 TYR 27 21.710 -6.665 -3.901
180 HB3 TYR 27 HB3 TYR 27 23.398 -6.308 -4.246
181 HD1 TYR 27 HD1 TYR 27 25.142 -6.832 -2.578
182 HD2 TYR 27 HD2 TYR 27 21.079 -7.941 -1.975
183 HE1 TYR 27 HE1 TYR 27 25.839 -8.405 -0.821
184 HE2 TYR 27 HE2 TYR 27 21.765 -9.517 -0.215
185 HH TYR 27 HH TYR 27 23.996 -9.581 1.431
186 H GLY 28 H GLY 28 21.089 -2.759 -2.613
187 HA2 GLY 28 HA2 GLY 28 19.942 -1.264 -3.927
188 HA3 GLY 28 HA3 GLY 28 20.933 -1.812 -5.271
189 H LYS 29 H LYS 29 19.274 -4.337 -3.748
190 HA LYS 29 HA LYS 29 16.933 -4.107 -5.481
191 HB2 LYS 29 HB2 LYS 29 19.149 -5.985 -5.865
192 HB3 LYS 29 HB3 LYS 29 17.577 -6.769 -5.777
193 HG2 LYS 29 HG2 LYS 29 16.800 -5.728 -7.683
194 HG3 LYS 29 HG3 LYS 29 17.959 -4.402 -7.555
195 HD2 LYS 29 HD2 LYS 29 19.108 -7.099 -7.900
196 HD3 LYS 29 HD3 LYS 29 18.217 -6.456 -9.281
197 HE2 LYS 29 HE2 LYS 29 20.209 -4.715 -7.908
198 HE3 LYS 29 HE3 LYS 29 20.788 -5.987 -8.984
199 HZ1 LYS 29 HZ1 LYS 29 20.497 -4.453 -10.564
200 HZ2 LYS 29 HZ2 LYS 29 19.469 -3.501 -9.616
201 HZ3 LYS 29 HZ3 LYS 29 18.852 -4.835 -10.453
202 H CYS 30 H CYS 30 15.349 -5.915 -5.020
203 HA CYS 30 HA CYS 30 15.234 -6.304 -2.121
204 HB2 CYS 30 HB2 CYS 30 13.325 -5.236 -3.409
205 HB3 CYS 30 HB3 CYS 30 13.032 -6.819 -4.121
206 H LEU 31 H LEU 31 14.874 -8.313 -1.176
207 HA LEU 31 HA LEU 31 14.827 -10.684 -2.857
208 HB2 LEU 31 HB2 LEU 31 16.741 -11.425 -1.054
209 HB3 LEU 31 HB3 LEU 31 17.032 -10.969 -2.732
210 HG LEU 31 HG LEU 31 17.036 -8.835 -0.651
211 HD11 LEU 31 HD11 LEU 31 18.938 -11.079 -0.810
212 HD12 LEU 31 HD12 LEU 31 18.546 -10.010 0.537
213 HD13 LEU 31 HD13 LEU 31 19.649 -9.467 -0.728
214 HD21 LEU 31 HD21 LEU 31 17.484 -7.781 -2.582
215 HD22 LEU 31 HD22 LEU 31 17.985 -9.264 -3.396
216 HD23 LEU 31 HD23 LEU 31 19.115 -8.410 -2.343
217 H VAL 32 H VAL 32 14.879 -12.704 -1.331
218 HA VAL 32 HA VAL 32 12.666 -12.422 0.449
219 HB VAL 32 HB VAL 32 14.493 -14.785 -0.008
220 HG11 VAL 32 HG11 VAL 32 12.041 -14.409 1.649
221 HG12 VAL 32 HG12 VAL 32 12.333 -15.968 0.875
222 HG13 VAL 32 HG13 VAL 32 13.514 -15.309 2.008
223 HG21 VAL 32 HG21 VAL 32 12.612 -15.629 -1.379
224 HG22 VAL 32 HG22 VAL 32 11.800 -14.078 -1.170
225 HG23 VAL 32 HG23 VAL 32 13.336 -14.160 -2.032
226 H ARG 33 H ARG 33 12.774 -11.691 2.458
227 HA ARG 33 HA ARG 33 15.178 -11.292 3.873
228 HB2 ARG 33 HB2 ARG 33 13.302 -9.901 4.378
229 HB3 ARG 33 HB3 ARG 33 12.294 -11.291 4.757
230 HG2 ARG 33 HG2 ARG 33 13.589 -11.745 6.740
231 HG3 ARG 33 HG3 ARG 33 14.713 -10.446 6.336
232 HD2 ARG 33 HD2 ARG 33 12.689 -8.900 6.401
233 HD3 ARG 33 HD3 ARG 33 11.833 -10.236 7.169
234 HE ARG 33 HE ARG 33 14.282 -9.682 8.498
235 HH11 ARG 33 HH11 ARG 33 11.016 -8.541 8.111
236 HH12 ARG 33 HH12 ARG 33 10.959 -7.782 9.668
237 HH21 ARG 33 HH21 ARG 33 14.219 -8.686 10.549
238 HH22 ARG 33 HH22 ARG 33 12.782 -7.864 11.053
Start of MODEL 18
1 H1 ASP 1 H ASP 1 0.394 0.127 -0.037
2 HA ASP 1 HA ASP 1 1.590 -0.433 -2.297
3 HB2 ASP 1 HB2 ASP 1 2.114 1.861 -0.449
4 HB3 ASP 1 HB3 ASP 1 3.067 1.720 -1.924
5 H CYS 2 H CYS 2 2.792 -2.379 -2.070
6 HA CYS 2 HA CYS 2 5.565 -1.930 -1.181
7 HB2 CYS 2 HB2 CYS 2 5.689 -4.232 -0.424
8 HB3 CYS 2 HB3 CYS 2 4.342 -3.427 0.373
9 H GLY 3 H GLY 3 7.134 -3.447 -2.224
10 HA2 GLY 3 HA2 GLY 3 6.480 -3.647 -5.076
11 HA3 GLY 3 HA3 GLY 3 8.097 -3.643 -4.386
12 H HIS 4 H HIS 4 8.205 -5.486 -5.993
13 HA HIS 4 HA HIS 4 6.991 -7.961 -5.066
14 HB2 HIS 4 HB2 HIS 4 8.935 -7.688 -7.352
15 HB3 HIS 4 HB3 HIS 4 7.715 -8.933 -7.099
16 HD1 HIS 4 HD1 HIS 4 8.042 -6.999 -9.645
17 HD2 HIS 4 HD2 HIS 4 5.231 -6.680 -6.602
18 HE1 HIS 4 HE1 HIS 4 6.125 -5.706 -10.633
19 H LEU 5 H LEU 5 8.746 -9.897 -5.489
20 HA LEU 5 HA LEU 5 10.510 -9.694 -3.260
21 HB2 LEU 5 HB2 LEU 5 9.700 -11.828 -3.537
22 HB3 LEU 5 HB3 LEU 5 9.863 -11.775 -5.291
23 HG LEU 5 HG LEU 5 12.270 -12.085 -5.095
24 HD11 LEU 5 HD11 LEU 5 13.368 -12.431 -3.008
25 HD12 LEU 5 HD12 LEU 5 11.842 -12.363 -2.127
26 HD13 LEU 5 HD13 LEU 5 12.479 -10.911 -2.899
27 HD21 LEU 5 HD21 LEU 5 11.148 -14.191 -3.314
28 HD22 LEU 5 HD22 LEU 5 12.190 -14.344 -4.729
29 HD23 LEU 5 HD23 LEU 5 10.473 -13.997 -4.932
30 H HIS 6 H HIS 6 11.097 -10.144 -6.748
31 HA HIS 6 HA HIS 6 13.895 -9.397 -6.353
32 HB2 HIS 6 HB2 HIS 6 12.439 -10.493 -8.766
33 HB3 HIS 6 HB3 HIS 6 14.153 -10.091 -8.738
34 HD1 HIS 6 HD1 HIS 6 15.282 -11.387 -6.386
35 HD2 HIS 6 HD2 HIS 6 12.184 -13.159 -8.512
36 HE1 HIS 6 HE1 HIS 6 15.395 -13.835 -5.823
37 H ASP 7 H ASP 7 11.560 -7.511 -6.250
38 HA ASP 7 HA ASP 7 11.928 -5.835 -8.587
39 HB2 ASP 7 HB2 ASP 7 9.920 -6.150 -6.581
40 HB3 ASP 7 HB3 ASP 7 10.468 -4.476 -6.556
41 HA PRO 8 HA PRO 8 15.020 -3.163 -6.989
42 HB2 PRO 8 HB2 PRO 8 14.284 -0.786 -8.075
43 HB3 PRO 8 HB3 PRO 8 14.988 -2.100 -9.026
44 HG2 PRO 8 HG2 PRO 8 12.116 -1.312 -8.717
45 HG3 PRO 8 HG3 PRO 8 12.996 -1.784 -10.183
46 HD2 PRO 8 HD2 PRO 8 11.378 -3.492 -8.841
47 HD3 PRO 8 HD3 PRO 8 12.828 -4.034 -9.711
48 H CYS 9 H CYS 9 15.425 -1.354 -5.579
49 HA CYS 9 HA CYS 9 13.139 -0.193 -4.199
50 HB2 CYS 9 HB2 CYS 9 14.139 -0.795 -1.968
51 HB3 CYS 9 HB3 CYS 9 13.468 -2.153 -2.866
52 HA PRO 10 HA PRO 10 16.833 2.603 -4.852
53 HB2 PRO 10 HB2 PRO 10 15.470 4.530 -6.193
54 HB3 PRO 10 HB3 PRO 10 16.215 3.143 -6.997
55 HG2 PRO 10 HG2 PRO 10 13.358 3.566 -6.208
56 HG3 PRO 10 HG3 PRO 10 14.016 2.893 -7.711
57 HD2 PRO 10 HD2 PRO 10 13.035 1.336 -5.725
58 HD3 PRO 10 HD3 PRO 10 14.368 0.816 -6.775
59 H ASN 11 H ASN 11 13.487 3.203 -3.904
60 HA ASN 11 HA ASN 11 14.301 5.499 -2.291
61 HB2 ASN 11 HB2 ASN 11 11.664 4.411 -3.216
62 HB3 ASN 11 HB3 ASN 11 11.723 5.495 -1.829
63 HD21 ASN 11 HD21 ASN 11 11.632 5.267 -5.177
64 HD22 ASN 11 HD22 ASN 11 11.943 6.925 -5.553
65 H ASP 12 H ASP 12 15.139 2.807 -1.577
66 HA ASP 12 HA ASP 12 13.562 1.818 0.565
67 HB2 ASP 12 HB2 ASP 12 15.052 0.271 -0.413
68 HB3 ASP 12 HB3 ASP 12 16.417 1.376 -0.283
69 H ARG 13 H ARG 13 13.245 2.742 2.468
70 HA ARG 13 HA ARG 13 15.467 4.166 3.748
71 HB2 ARG 13 HB2 ARG 13 13.610 5.785 4.601
72 HB3 ARG 13 HB3 ARG 13 14.304 6.025 3.003
73 HG2 ARG 13 HG2 ARG 13 12.385 4.844 2.016
74 HG3 ARG 13 HG3 ARG 13 11.682 4.684 3.626
75 HD2 ARG 13 HD2 ARG 13 12.368 7.306 2.305
76 HD3 ARG 13 HD3 ARG 13 10.761 6.582 2.316
77 HE ARG 13 HE ARG 13 11.906 6.931 4.933
78 HH11 ARG 13 HH11 ARG 13 10.044 8.410 2.389
79 HH12 ARG 13 HH12 ARG 13 9.262 9.542 3.442
80 HH21 ARG 13 HH21 ARG 13 10.883 8.417 6.329
81 HH22 ARG 13 HH22 ARG 13 9.741 9.546 5.682
82 HA PRO 14 HA PRO 14 14.338 2.039 7.414
83 HB2 PRO 14 HB2 PRO 14 14.830 3.895 9.333
84 HB3 PRO 14 HB3 PRO 14 16.115 3.071 8.443
85 HG2 PRO 14 HG2 PRO 14 14.954 5.795 8.006
86 HG3 PRO 14 HG3 PRO 14 16.652 5.284 7.974
87 HD2 PRO 14 HD2 PRO 14 15.204 5.668 5.718
88 HD3 PRO 14 HD3 PRO 14 16.492 4.452 5.830
89 H GLY 15 H GLY 15 12.175 1.614 7.473
90 HA2 GLY 15 HA2 GLY 15 10.253 1.941 8.932
91 HA3 GLY 15 HA3 GLY 15 10.482 3.673 8.742
92 H HIS 16 H HIS 16 11.079 2.676 5.767
93 HA HIS 16 HA HIS 16 8.420 2.065 4.846
94 HB2 HIS 16 HB2 HIS 16 8.556 4.616 5.274
95 HB3 HIS 16 HB3 HIS 16 9.577 4.652 3.840
96 HD1 HIS 16 HD1 HIS 16 6.478 2.524 4.258
97 HD2 HIS 16 HD2 HIS 16 7.812 5.813 2.097
98 HE1 HIS 16 HE1 HIS 16 4.668 3.005 2.579
99 H ARG 17 H ARG 17 9.569 0.268 3.995
100 HA ARG 17 HA ARG 17 11.524 0.822 1.895
101 HB2 ARG 17 HB2 ARG 17 10.621 -1.880 2.890
102 HB3 ARG 17 HB3 ARG 17 12.072 -1.504 1.970
103 HG2 ARG 17 HG2 ARG 17 12.684 -0.034 4.016
104 HG3 ARG 17 HG3 ARG 17 11.487 -1.022 4.856
105 HD2 ARG 17 HD2 ARG 17 12.827 -2.821 4.891
106 HD3 ARG 17 HD3 ARG 17 13.369 -2.562 3.233
107 HE ARG 17 HE ARG 17 15.212 -1.476 4.043
108 HH11 ARG 17 HH11 ARG 17 12.835 -1.729 6.573
109 HH12 ARG 17 HH12 ARG 17 13.895 -1.136 7.808
110 HH21 ARG 17 HH21 ARG 17 16.618 -0.694 5.660
111 HH22 ARG 17 HH22 ARG 17 16.047 -0.547 7.288
112 H THR 18 H THR 18 11.342 -0.385 -0.159
113 HA THR 18 HA THR 18 8.593 -0.245 -1.138
114 HB THR 18 HB THR 18 9.475 -0.123 -3.339
115 HG1 THR 18 HG1 THR 18 11.740 -1.267 -2.146
116 HG21 THR 18 HG21 THR 18 11.609 1.379 -1.885
117 HG22 THR 18 HG22 THR 18 9.920 1.820 -1.631
118 HG23 THR 18 HG23 THR 18 10.613 1.880 -3.252
119 H CYS 19 H CYS 19 9.771 -2.511 0.479
120 HA CYS 19 HA CYS 19 9.287 -4.685 -1.451
121 HB2 CYS 19 HB2 CYS 19 10.935 -4.633 1.080
122 HB3 CYS 19 HB3 CYS 19 10.509 -6.121 0.240
123 H CYS 20 H CYS 20 7.945 -6.406 -0.849
124 HA CYS 20 HA CYS 20 5.803 -5.669 0.923
125 HB2 CYS 20 HB2 CYS 20 6.127 -7.410 -1.285
126 HB3 CYS 20 HB3 CYS 20 5.642 -8.410 0.081
127 H ILE 21 H ILE 21 4.971 -7.945 2.105
128 HA ILE 21 HA ILE 21 6.589 -8.096 4.411
129 HB ILE 21 HB ILE 21 4.172 -8.487 4.487
130 HG12 ILE 21 HG12 ILE 21 5.632 -10.990 5.340
131 HG13 ILE 21 HG13 ILE 21 5.762 -9.459 6.198
132 HG21 ILE 21 HG21 ILE 21 3.087 -10.000 3.246
133 HG22 ILE 21 HG22 ILE 21 4.566 -10.064 2.289
134 HG23 ILE 21 HG23 ILE 21 4.286 -11.254 3.560
135 HD11 ILE 21 HD11 ILE 21 4.039 -10.159 7.405
136 HD12 ILE 21 HD12 ILE 21 3.044 -9.848 5.982
137 HD13 ILE 21 HD13 ILE 21 3.679 -11.466 6.278
138 H GLY 22 H GLY 22 7.906 -9.729 5.207
139 HA2 GLY 22 HA2 GLY 22 9.386 -11.484 5.131
140 HA3 GLY 22 HA3 GLY 22 8.343 -12.206 3.915
141 H LEU 23 H LEU 23 9.868 -9.065 3.573
142 HA LEU 23 HA LEU 23 11.768 -10.209 1.646
143 HB2 LEU 23 HB2 LEU 23 9.924 -7.871 1.213
144 HB3 LEU 23 HB3 LEU 23 11.331 -8.193 0.202
145 HG LEU 23 HG LEU 23 8.915 -9.974 0.515
146 HD11 LEU 23 HD11 LEU 23 8.936 -9.390 -2.059
147 HD12 LEU 23 HD12 LEU 23 9.750 -7.937 -1.480
148 HD13 LEU 23 HD13 LEU 23 8.143 -8.344 -0.880
149 HD21 LEU 23 HD21 LEU 23 11.599 -10.419 -0.596
150 HD22 LEU 23 HD22 LEU 23 10.264 -10.888 -1.649
151 HD23 LEU 23 HD23 LEU 23 10.395 -11.576 -0.030
152 H GLN 24 H GLN 24 13.451 -8.542 0.999
153 HA GLN 24 HA GLN 24 13.961 -6.481 2.976
154 HB2 GLN 24 HB2 GLN 24 14.999 -8.244 4.147
155 HB3 GLN 24 HB3 GLN 24 15.667 -8.941 2.677
156 HG2 GLN 24 HG2 GLN 24 17.407 -7.467 2.598
157 HG3 GLN 24 HG3 GLN 24 16.523 -6.207 3.457
158 HE21 GLN 24 HE21 GLN 24 17.502 -9.560 4.106
159 HE22 GLN 24 HE22 GLN 24 18.172 -9.241 5.666
160 H CYS 25 H CYS 25 15.394 -4.899 2.280
161 HA CYS 25 HA CYS 25 16.004 -4.999 -0.586
162 HB2 CYS 25 HB2 CYS 25 14.673 -3.092 0.124
163 HB3 CYS 25 HB3 CYS 25 15.876 -2.668 1.338
164 H ARG 26 H ARG 26 17.983 -5.667 -1.074
165 HA ARG 26 HA ARG 26 20.264 -4.448 0.257
166 HB2 ARG 26 HB2 ARG 26 19.852 -7.440 0.136
167 HB3 ARG 26 HB3 ARG 26 21.372 -6.663 0.560
168 HG2 ARG 26 HG2 ARG 26 18.820 -6.191 2.074
169 HG3 ARG 26 HG3 ARG 26 19.965 -7.470 2.482
170 HD2 ARG 26 HD2 ARG 26 21.538 -6.007 3.247
171 HD3 ARG 26 HD3 ARG 26 21.034 -4.723 2.149
172 HE ARG 26 HE ARG 26 18.948 -4.944 3.864
173 HH11 ARG 26 HH11 ARG 26 22.376 -4.511 4.284
174 HH12 ARG 26 HH12 ARG 26 22.215 -3.616 5.758
175 HH21 ARG 26 HH21 ARG 26 18.722 -3.767 5.805
176 HH22 ARG 26 HH22 ARG 26 20.136 -3.195 6.623
177 H TYR 27 H TYR 27 22.152 -4.448 -0.984
178 HA TYR 27 HA TYR 27 23.399 -4.414 -2.885
179 HB2 TYR 27 HB2 TYR 27 21.713 -6.677 -3.940
180 HB3 TYR 27 HB3 TYR 27 23.400 -6.317 -4.290
181 HD1 TYR 27 HD1 TYR 27 25.146 -6.816 -2.617
182 HD2 TYR 27 HD2 TYR 27 21.088 -7.931 -1.996
183 HE1 TYR 27 HE1 TYR 27 25.850 -8.366 -0.842
184 HE2 TYR 27 HE2 TYR 27 21.780 -9.483 -0.218
185 HH TYR 27 HH TYR 27 24.182 -9.448 1.423
186 H GLY 28 H GLY 28 21.078 -2.758 -2.698
187 HA2 GLY 28 HA2 GLY 28 19.926 -1.283 -4.030
188 HA3 GLY 28 HA3 GLY 28 20.919 -1.843 -5.368
189 H LYS 29 H LYS 29 19.268 -4.355 -3.814
190 HA LYS 29 HA LYS 29 16.928 -4.155 -5.552
191 HB2 LYS 29 HB2 LYS 29 19.150 -6.029 -5.910
192 HB3 LYS 29 HB3 LYS 29 17.582 -6.819 -5.810
193 HG2 LYS 29 HG2 LYS 29 16.785 -5.763 -7.716
194 HG3 LYS 29 HG3 LYS 29 17.998 -4.484 -7.632
195 HD2 LYS 29 HD2 LYS 29 18.960 -7.273 -7.965
196 HD3 LYS 29 HD3 LYS 29 18.179 -6.508 -9.351
197 HE2 LYS 29 HE2 LYS 29 19.946 -5.200 -9.743
198 HE3 LYS 29 HE3 LYS 29 20.090 -4.752 -8.044
199 HZ1 LYS 29 HZ1 LYS 29 21.210 -7.154 -9.373
200 HZ2 LYS 29 HZ2 LYS 29 21.174 -6.956 -7.694
201 HZ3 LYS 29 HZ3 LYS 29 22.063 -5.883 -8.652
202 H CYS 30 H CYS 30 15.344 -5.952 -5.066
203 HA CYS 30 HA CYS 30 15.229 -6.306 -2.163
204 HB2 CYS 30 HB2 CYS 30 13.319 -5.260 -3.469
205 HB3 CYS 30 HB3 CYS 30 13.030 -6.855 -4.157
206 H LEU 31 H LEU 31 14.878 -8.303 -1.191
207 HA LEU 31 HA LEU 31 14.837 -10.696 -2.841
208 HB2 LEU 31 HB2 LEU 31 16.750 -11.410 -1.027
209 HB3 LEU 31 HB3 LEU 31 17.044 -10.971 -2.708
210 HG LEU 31 HG LEU 31 17.034 -8.811 -0.656
211 HD11 LEU 31 HD11 LEU 31 18.500 -10.056 0.553
212 HD12 LEU 31 HD12 LEU 31 19.624 -9.386 -0.630
213 HD13 LEU 31 HD13 LEU 31 19.000 -11.023 -0.835
214 HD21 LEU 31 HD21 LEU 31 18.020 -9.286 -3.383
215 HD22 LEU 31 HD22 LEU 31 19.121 -8.396 -2.331
216 HD23 LEU 31 HD23 LEU 31 17.487 -7.793 -2.609
217 H VAL 32 H VAL 32 14.900 -12.696 -1.281
218 HA VAL 32 HA VAL 32 12.681 -12.397 0.488
219 HB VAL 32 HB VAL 32 14.517 -14.759 0.067
220 HG11 VAL 32 HG11 VAL 32 13.509 -15.133 2.145
221 HG12 VAL 32 HG12 VAL 32 11.973 -14.435 1.626
222 HG13 VAL 32 HG13 VAL 32 12.486 -16.003 1.002
223 HG21 VAL 32 HG21 VAL 32 11.823 -14.078 -1.104
224 HG22 VAL 32 HG22 VAL 32 13.359 -14.167 -1.966
225 HG23 VAL 32 HG23 VAL 32 12.639 -15.630 -1.293
226 H ARG 33 H ARG 33 12.782 -11.636 2.487
227 HA ARG 33 HA ARG 33 15.100 -11.077 3.909
228 HB2 ARG 33 HB2 ARG 33 12.552 -10.408 4.263
229 HB3 ARG 33 HB3 ARG 33 12.620 -11.721 5.430
230 HG2 ARG 33 HG2 ARG 33 14.761 -9.670 5.528
231 HG3 ARG 33 HG3 ARG 33 13.151 -9.223 6.096
232 HD2 ARG 33 HD2 ARG 33 13.573 -11.699 7.238
233 HD3 ARG 33 HD3 ARG 33 15.159 -10.933 7.324
234 HE ARG 33 HE ARG 33 14.340 -9.520 8.921
235 HH11 ARG 33 HH11 ARG 33 11.669 -10.976 7.229
236 HH12 ARG 33 HH12 ARG 33 10.468 -10.316 8.289
237 HH21 ARG 33 HH21 ARG 33 12.769 -8.645 10.324
238 HH22 ARG 33 HH22 ARG 33 11.095 -8.990 10.049
Start of MODEL 19
1 H1 ASP 1 H ASP 1 1.446 -0.853 -3.368
2 HA ASP 1 HA ASP 1 1.702 0.849 -0.976
3 HB2 ASP 1 HB2 ASP 1 0.824 -2.029 -1.246
4 HB3 ASP 1 HB3 ASP 1 1.215 -1.279 0.299
5 H CYS 2 H CYS 2 2.873 -2.272 -2.253
6 HA CYS 2 HA CYS 2 5.573 -1.533 -1.368
7 HB2 CYS 2 HB2 CYS 2 5.869 -3.972 -0.684
8 HB3 CYS 2 HB3 CYS 2 4.886 -2.972 0.380
9 H GLY 3 H GLY 3 7.226 -3.133 -2.296
10 HA2 GLY 3 HA2 GLY 3 6.614 -3.422 -5.142
11 HA3 GLY 3 HA3 GLY 3 8.214 -3.451 -4.417
12 H HIS 4 H HIS 4 8.269 -5.331 -6.003
13 HA HIS 4 HA HIS 4 6.976 -7.747 -5.031
14 HB2 HIS 4 HB2 HIS 4 8.946 -7.578 -7.305
15 HB3 HIS 4 HB3 HIS 4 7.692 -8.785 -7.035
16 HD1 HIS 4 HD1 HIS 4 8.082 -6.929 -9.623
17 HD2 HIS 4 HD2 HIS 4 5.270 -6.447 -6.604
18 HE1 HIS 4 HE1 HIS 4 6.209 -5.606 -10.654
19 H LEU 5 H LEU 5 8.727 -9.727 -5.468
20 HA LEU 5 HA LEU 5 10.442 -9.563 -3.194
21 HB2 LEU 5 HB2 LEU 5 9.599 -11.682 -3.504
22 HB3 LEU 5 HB3 LEU 5 9.815 -11.625 -5.252
23 HG LEU 5 HG LEU 5 12.219 -11.956 -4.973
24 HD11 LEU 5 HD11 LEU 5 12.324 -10.833 -2.731
25 HD12 LEU 5 HD12 LEU 5 13.238 -12.335 -2.863
26 HD13 LEU 5 HD13 LEU 5 11.681 -12.320 -2.035
27 HD21 LEU 5 HD21 LEU 5 11.503 -14.057 -5.251
28 HD22 LEU 5 HD22 LEU 5 10.179 -13.858 -4.104
29 HD23 LEU 5 HD23 LEU 5 11.801 -14.238 -3.522
30 H HIS 6 H HIS 6 11.117 -10.070 -6.661
31 HA HIS 6 HA HIS 6 13.904 -9.318 -6.204
32 HB2 HIS 6 HB2 HIS 6 12.512 -10.454 -8.638
33 HB3 HIS 6 HB3 HIS 6 14.227 -10.061 -8.565
34 HD1 HIS 6 HD1 HIS 6 15.260 -11.315 -6.136
35 HD2 HIS 6 HD2 HIS 6 12.249 -13.117 -8.361
36 HE1 HIS 6 HE1 HIS 6 15.344 -13.754 -5.529
37 H ASP 7 H ASP 7 11.580 -7.420 -6.197
38 HA ASP 7 HA ASP 7 11.998 -5.796 -8.559
39 HB2 ASP 7 HB2 ASP 7 9.965 -6.049 -6.572
40 HB3 ASP 7 HB3 ASP 7 10.530 -4.380 -6.571
41 HA PRO 8 HA PRO 8 15.107 -3.130 -6.985
42 HB2 PRO 8 HB2 PRO 8 14.427 -0.777 -8.156
43 HB3 PRO 8 HB3 PRO 8 15.127 -2.129 -9.053
44 HG2 PRO 8 HG2 PRO 8 12.263 -1.292 -8.821
45 HG3 PRO 8 HG3 PRO 8 13.161 -1.820 -10.256
46 HD2 PRO 8 HD2 PRO 8 11.495 -3.463 -8.893
47 HD3 PRO 8 HD3 PRO 8 12.951 -4.052 -9.719
48 H CYS 9 H CYS 9 15.528 -1.420 -5.526
49 HA CYS 9 HA CYS 9 13.236 -0.126 -4.259
50 HB2 CYS 9 HB2 CYS 9 14.164 -0.711 -1.993
51 HB3 CYS 9 HB3 CYS 9 13.479 -2.067 -2.881
52 HA PRO 10 HA PRO 10 17.019 2.559 -4.869
53 HB2 PRO 10 HB2 PRO 10 15.741 4.496 -6.279
54 HB3 PRO 10 HB3 PRO 10 16.468 3.075 -7.040
55 HG2 PRO 10 HG2 PRO 10 13.605 3.587 -6.329
56 HG3 PRO 10 HG3 PRO 10 14.281 2.869 -7.803
57 HD2 PRO 10 HD2 PRO 10 13.210 1.376 -5.814
58 HD3 PRO 10 HD3 PRO 10 14.555 0.802 -6.821
59 H ASN 11 H ASN 11 13.670 3.251 -4.003
60 HA ASN 11 HA ASN 11 14.496 5.568 -2.428
61 HB2 ASN 11 HB2 ASN 11 11.775 4.456 -3.136
62 HB3 ASN 11 HB3 ASN 11 12.013 5.831 -2.060
63 HD21 ASN 11 HD21 ASN 11 12.242 4.670 -5.327
64 HD22 ASN 11 HD22 ASN 11 12.397 6.217 -6.080
65 H ASP 12 H ASP 12 15.285 2.882 -1.639
66 HA ASP 12 HA ASP 12 13.660 1.974 0.505
67 HB2 ASP 12 HB2 ASP 12 15.250 0.490 -0.613
68 HB3 ASP 12 HB3 ASP 12 16.592 1.487 -0.059
69 H ARG 13 H ARG 13 13.344 2.950 2.383
70 HA ARG 13 HA ARG 13 15.578 4.408 3.616
71 HB2 ARG 13 HB2 ARG 13 13.706 5.989 4.496
72 HB3 ARG 13 HB3 ARG 13 14.341 6.221 2.873
73 HG2 ARG 13 HG2 ARG 13 12.423 4.967 1.970
74 HG3 ARG 13 HG3 ARG 13 11.776 4.826 3.606
75 HD2 ARG 13 HD2 ARG 13 11.548 7.212 3.780
76 HD3 ARG 13 HD3 ARG 13 12.369 7.444 2.237
77 HE ARG 13 HE ARG 13 10.014 5.827 2.020
78 HH11 ARG 13 HH11 ARG 13 11.215 9.093 2.140
79 HH12 ARG 13 HH12 ARG 13 9.864 9.760 1.284
80 HH21 ARG 13 HH21 ARG 13 8.231 6.693 0.891
81 HH22 ARG 13 HH22 ARG 13 8.167 8.394 0.574
82 HA PRO 14 HA PRO 14 14.599 2.289 7.331
83 HB2 PRO 14 HB2 PRO 14 15.092 4.178 9.218
84 HB3 PRO 14 HB3 PRO 14 16.374 3.377 8.302
85 HG2 PRO 14 HG2 PRO 14 15.133 6.066 7.868
86 HG3 PRO 14 HG3 PRO 14 16.842 5.598 7.797
87 HD2 PRO 14 HD2 PRO 14 15.327 5.921 5.577
88 HD3 PRO 14 HD3 PRO 14 16.649 4.739 5.667
89 H GLY 15 H GLY 15 12.444 1.816 7.430
90 HA2 GLY 15 HA2 GLY 15 10.550 2.099 8.932
91 HA3 GLY 15 HA3 GLY 15 10.737 3.836 8.741
92 H HIS 16 H HIS 16 11.286 2.822 5.751
93 HA HIS 16 HA HIS 16 8.611 2.181 4.898
94 HB2 HIS 16 HB2 HIS 16 9.724 4.940 4.624
95 HB3 HIS 16 HB3 HIS 16 8.736 4.298 3.316
96 HD1 HIS 16 HD1 HIS 16 6.464 2.967 4.673
97 HD2 HIS 16 HD2 HIS 16 8.106 6.504 6.107
98 HE1 HIS 16 HE1 HIS 16 4.664 4.023 6.077
99 H ARG 17 H ARG 17 9.753 0.385 4.037
100 HA ARG 17 HA ARG 17 11.685 0.915 1.916
101 HB2 ARG 17 HB2 ARG 17 10.714 -1.764 2.917
102 HB3 ARG 17 HB3 ARG 17 12.148 -1.442 1.950
103 HG2 ARG 17 HG2 ARG 17 12.769 0.064 4.036
104 HG3 ARG 17 HG3 ARG 17 11.690 -1.068 4.854
105 HD2 ARG 17 HD2 ARG 17 13.238 -2.733 3.331
106 HD3 ARG 17 HD3 ARG 17 14.382 -1.468 3.781
107 HE ARG 17 HE ARG 17 12.858 -2.425 6.006
108 HH11 ARG 17 HH11 ARG 17 15.628 -3.055 3.993
109 HH12 ARG 17 HH12 ARG 17 16.464 -3.969 5.205
110 HH21 ARG 17 HH21 ARG 17 13.949 -3.626 7.610
111 HH22 ARG 17 HH22 ARG 17 15.508 -4.293 7.261
112 H THR 18 H THR 18 11.465 -0.268 -0.150
113 HA THR 18 HA THR 18 8.717 -0.050 -1.116
114 HB THR 18 HB THR 18 9.599 0.061 -3.324
115 HG1 THR 18 HG1 THR 18 11.311 -1.085 -3.769
116 HG21 THR 18 HG21 THR 18 11.758 1.552 -1.921
117 HG22 THR 18 HG22 THR 18 10.085 1.975 -1.555
118 HG23 THR 18 HG23 THR 18 10.679 2.077 -3.212
119 H CYS 19 H CYS 19 9.783 -2.355 0.480
120 HA CYS 19 HA CYS 19 9.305 -4.499 -1.484
121 HB2 CYS 19 HB2 CYS 19 10.875 -4.499 1.095
122 HB3 CYS 19 HB3 CYS 19 10.424 -5.978 0.251
123 H CYS 20 H CYS 20 7.949 -6.240 -0.890
124 HA CYS 20 HA CYS 20 5.749 -5.446 0.797
125 HB2 CYS 20 HB2 CYS 20 6.224 -7.406 -1.304
126 HB3 CYS 20 HB3 CYS 20 5.306 -8.083 0.037
127 H ILE 21 H ILE 21 4.783 -7.467 2.099
128 HA ILE 21 HA ILE 21 6.382 -7.760 4.373
129 HB ILE 21 HB ILE 21 3.974 -7.992 4.504
130 HG12 ILE 21 HG12 ILE 21 5.263 -10.634 5.210
131 HG13 ILE 21 HG13 ILE 21 5.444 -9.165 6.161
132 HG21 ILE 21 HG21 ILE 21 3.787 -9.133 2.258
133 HG22 ILE 21 HG22 ILE 21 4.210 -10.632 3.085
134 HG23 ILE 21 HG23 ILE 21 2.743 -9.762 3.532
135 HD11 ILE 21 HD11 ILE 21 3.777 -10.423 7.225
136 HD12 ILE 21 HD12 ILE 21 2.922 -9.151 6.352
137 HD13 ILE 21 HD13 ILE 21 2.967 -10.789 5.702
138 H GLY 22 H GLY 22 7.761 -9.313 5.092
139 HA2 GLY 22 HA2 GLY 22 9.058 -11.221 5.090
140 HA3 GLY 22 HA3 GLY 22 7.995 -11.883 3.858
141 H LEU 23 H LEU 23 9.772 -8.855 3.608
142 HA LEU 23 HA LEU 23 11.632 -10.097 1.714
143 HB2 LEU 23 HB2 LEU 23 9.922 -7.677 1.179
144 HB3 LEU 23 HB3 LEU 23 11.315 -8.129 0.199
145 HG LEU 23 HG LEU 23 8.816 -9.783 0.558
146 HD11 LEU 23 HD11 LEU 23 8.032 -8.185 -0.844
147 HD12 LEU 23 HD12 LEU 23 8.855 -9.186 -2.039
148 HD13 LEU 23 HD13 LEU 23 9.639 -7.736 -1.415
149 HD21 LEU 23 HD21 LEU 23 11.390 -10.215 -0.908
150 HD22 LEU 23 HD22 LEU 23 9.892 -10.943 -1.489
151 HD23 LEU 23 HD23 LEU 23 10.492 -11.327 0.125
152 H GLN 24 H GLN 24 13.361 -8.448 1.048
153 HA GLN 24 HA GLN 24 13.909 -6.413 3.042
154 HB2 GLN 24 HB2 GLN 24 14.895 -8.230 4.192
155 HB3 GLN 24 HB3 GLN 24 15.581 -8.895 2.716
156 HG2 GLN 24 HG2 GLN 24 17.340 -7.449 2.711
157 HG3 GLN 24 HG3 GLN 24 16.449 -6.187 3.561
158 HE21 GLN 24 HE21 GLN 24 17.436 -9.545 4.174
159 HE22 GLN 24 HE22 GLN 24 18.046 -9.253 5.764
160 H CYS 25 H CYS 25 15.319 -4.832 2.341
161 HA CYS 25 HA CYS 25 15.978 -4.950 -0.513
162 HB2 CYS 25 HB2 CYS 25 14.631 -3.041 0.171
163 HB3 CYS 25 HB3 CYS 25 15.822 -2.605 1.392
164 H ARG 26 H ARG 26 17.967 -5.614 -0.966
165 HA ARG 26 HA ARG 26 20.222 -4.389 0.406
166 HB2 ARG 26 HB2 ARG 26 19.819 -7.381 0.263
167 HB3 ARG 26 HB3 ARG 26 21.330 -6.603 0.714
168 HG2 ARG 26 HG2 ARG 26 18.753 -6.147 2.190
169 HG3 ARG 26 HG3 ARG 26 19.898 -7.422 2.611
170 HD2 ARG 26 HD2 ARG 26 21.294 -5.984 3.603
171 HD3 ARG 26 HD3 ARG 26 21.161 -4.818 2.287
172 HE ARG 26 HE ARG 26 18.806 -4.553 3.593
173 HH11 ARG 26 HH11 ARG 26 22.133 -4.489 4.615
174 HH12 ARG 26 HH12 ARG 26 21.846 -3.393 5.926
175 HH21 ARG 26 HH21 ARG 26 18.414 -3.110 5.315
176 HH22 ARG 26 HH22 ARG 26 19.730 -2.610 6.324
177 H TYR 27 H TYR 27 22.128 -4.372 -0.804
178 HA TYR 27 HA TYR 27 23.408 -4.326 -2.683
179 HB2 TYR 27 HB2 TYR 27 21.748 -6.587 -3.781
180 HB3 TYR 27 HB3 TYR 27 23.441 -6.222 -4.096
181 HD1 TYR 27 HD2 TYR 27 25.153 -6.718 -2.384
182 HD2 TYR 27 HD1 TYR 27 21.088 -7.859 -1.863
183 HE1 TYR 27 HE2 TYR 27 25.825 -8.278 -0.605
184 HE2 TYR 27 HE1 TYR 27 21.748 -9.421 -0.082
185 HH TYR 27 HH TYR 27 24.365 -10.683 0.382
186 H GLY 28 H GLY 28 21.079 -2.678 -2.526
187 HA2 GLY 28 HA2 GLY 28 19.945 -1.199 -3.869
188 HA3 GLY 28 HA3 GLY 28 20.963 -1.748 -5.192
189 H LYS 29 H LYS 29 19.285 -4.268 -3.674
190 HA LYS 29 HA LYS 29 16.978 -4.068 -5.454
191 HB2 LYS 29 HB2 LYS 29 19.214 -5.924 -5.793
192 HB3 LYS 29 HB3 LYS 29 17.653 -6.731 -5.707
193 HG2 LYS 29 HG2 LYS 29 16.871 -5.711 -7.628
194 HG3 LYS 29 HG3 LYS 29 18.028 -4.383 -7.516
195 HD2 LYS 29 HD2 LYS 29 19.454 -6.850 -7.726
196 HD3 LYS 29 HD3 LYS 29 18.246 -6.772 -9.011
197 HE2 LYS 29 HE2 LYS 29 19.229 -4.972 -10.011
198 HE3 LYS 29 HE3 LYS 29 19.869 -4.341 -8.494
199 HZ1 LYS 29 HZ1 LYS 29 21.514 -5.300 -10.156
200 HZ2 LYS 29 HZ2 LYS 29 20.928 -6.821 -9.704
201 HZ3 LYS 29 HZ3 LYS 29 21.654 -5.818 -8.551
202 H CYS 30 H CYS 30 15.362 -5.813 -4.990
203 HA CYS 30 HA CYS 30 15.220 -6.215 -2.097
204 HB2 CYS 30 HB2 CYS 30 13.334 -5.134 -3.413
205 HB3 CYS 30 HB3 CYS 30 13.035 -6.719 -4.117
206 H LEU 31 H LEU 31 14.887 -8.214 -1.147
207 HA LEU 31 HA LEU 31 14.840 -10.588 -2.835
208 HB2 LEU 31 HB2 LEU 31 16.698 -11.339 -0.978
209 HB3 LEU 31 HB3 LEU 31 17.040 -10.881 -2.645
210 HG LEU 31 HG LEU 31 16.986 -8.739 -0.579
211 HD11 LEU 31 HD11 LEU 31 18.701 -9.489 0.608
212 HD12 LEU 31 HD12 LEU 31 19.636 -9.799 -0.854
213 HD13 LEU 31 HD13 LEU 31 18.550 -11.037 -0.223
214 HD21 LEU 31 HD21 LEU 31 17.472 -8.747 -3.231
215 HD22 LEU 31 HD22 LEU 31 19.108 -8.963 -2.609
216 HD23 LEU 31 HD23 LEU 31 18.152 -7.567 -2.110
217 H VAL 32 H VAL 32 14.873 -12.607 -1.282
218 HA VAL 32 HA VAL 32 12.606 -12.302 0.440
219 HB VAL 32 HB VAL 32 12.813 -14.344 -0.814
220 HG11 VAL 32 HG11 VAL 32 14.775 -15.312 -1.188
221 HG12 VAL 32 HG12 VAL 32 15.545 -14.156 -0.100
222 HG13 VAL 32 HG13 VAL 32 14.935 -15.688 0.527
223 HG21 VAL 32 HG21 VAL 32 12.243 -15.865 0.848
224 HG22 VAL 32 HG22 VAL 32 13.401 -15.196 1.997
225 HG23 VAL 32 HG23 VAL 32 11.927 -14.308 1.613
226 H ARG 33 H ARG 33 12.699 -11.577 2.453
227 HA ARG 33 HA ARG 33 15.056 -11.194 3.917
228 HB2 ARG 33 HB2 ARG 33 12.633 -10.198 4.189
229 HB3 ARG 33 HB3 ARG 33 12.435 -11.534 5.316
230 HG2 ARG 33 HG2 ARG 33 14.786 -9.707 5.558
231 HG3 ARG 33 HG3 ARG 33 13.209 -9.223 6.186
232 HD2 ARG 33 HD2 ARG 33 14.592 -11.803 6.899
233 HD3 ARG 33 HD3 ARG 33 14.705 -10.328 7.857
234 HE ARG 33 HE ARG 33 11.997 -11.034 7.402
235 HH11 ARG 33 HH11 ARG 33 14.794 -11.895 9.288
236 HH12 ARG 33 HH12 ARG 33 13.870 -12.542 10.603
237 HH21 ARG 33 HH21 ARG 33 10.769 -11.883 9.127
238 HH22 ARG 33 HH22 ARG 33 11.581 -12.536 10.510
Start of MODEL 20
1 H1 ASP 1 H ASP 1 1.849 0.572 0.578
2 HA ASP 1 HA ASP 1 1.167 -1.200 -1.612
3 HB2 ASP 1 HB2 ASP 1 0.715 1.240 -2.321
4 HB3 ASP 1 HB3 ASP 1 2.467 1.422 -2.312
5 H CYS 2 H CYS 2 2.839 -2.476 -2.171
6 HA CYS 2 HA CYS 2 5.543 -1.693 -1.330
7 HB2 CYS 2 HB2 CYS 2 5.876 -4.149 -0.690
8 HB3 CYS 2 HB3 CYS 2 4.926 -3.158 0.413
9 H GLY 3 H GLY 3 7.219 -3.210 -2.310
10 HA2 GLY 3 HA2 GLY 3 6.569 -3.498 -5.145
11 HA3 GLY 3 HA3 GLY 3 8.180 -3.505 -4.442
12 H HIS 4 H HIS 4 8.286 -5.368 -6.024
13 HA HIS 4 HA HIS 4 7.029 -7.818 -5.087
14 HB2 HIS 4 HB2 HIS 4 9.009 -7.586 -7.347
15 HB3 HIS 4 HB3 HIS 4 7.778 -8.821 -7.097
16 HD1 HIS 4 HD1 HIS 4 8.141 -6.940 -9.667
17 HD2 HIS 4 HD2 HIS 4 5.312 -6.526 -6.652
18 HE1 HIS 4 HE1 HIS 4 6.248 -5.641 -10.694
19 H LEU 5 H LEU 5 8.807 -9.765 -5.518
20 HA LEU 5 HA LEU 5 10.516 -9.581 -3.240
21 HB2 LEU 5 HB2 LEU 5 9.697 -11.710 -3.555
22 HB3 LEU 5 HB3 LEU 5 9.921 -11.650 -5.302
23 HG LEU 5 HG LEU 5 12.328 -11.948 -5.010
24 HD11 LEU 5 HD11 LEU 5 11.780 -12.335 -2.077
25 HD12 LEU 5 HD12 LEU 5 12.399 -10.832 -2.760
26 HD13 LEU 5 HD13 LEU 5 13.341 -12.317 -2.898
27 HD21 LEU 5 HD21 LEU 5 10.302 -13.875 -4.198
28 HD22 LEU 5 HD22 LEU 5 11.900 -14.237 -3.545
29 HD23 LEU 5 HD23 LEU 5 11.676 -14.065 -5.287
30 H HIS 6 H HIS 6 11.187 -10.042 -6.713
31 HA HIS 6 HA HIS 6 13.970 -9.274 -6.252
32 HB2 HIS 6 HB2 HIS 6 12.585 -10.413 -8.687
33 HB3 HIS 6 HB3 HIS 6 14.294 -9.993 -8.624
34 HD1 HIS 6 HD1 HIS 6 15.376 -11.246 -6.225
35 HD2 HIS 6 HD2 HIS 6 12.354 -13.078 -8.409
36 HE1 HIS 6 HE1 HIS 6 15.500 -13.686 -5.629
37 H ASP 7 H ASP 7 11.628 -7.400 -6.229
38 HA ASP 7 HA ASP 7 12.032 -5.754 -8.579
39 HB2 ASP 7 HB2 ASP 7 9.995 -6.045 -6.598
40 HB3 ASP 7 HB3 ASP 7 10.538 -4.369 -6.591
41 HA PRO 8 HA PRO 8 15.096 -3.057 -6.971
42 HB2 PRO 8 HB2 PRO 8 14.380 -0.699 -8.112
43 HB3 PRO 8 HB3 PRO 8 15.101 -2.029 -9.026
44 HG2 PRO 8 HG2 PRO 8 12.224 -1.238 -8.784
45 HG3 PRO 8 HG3 PRO 8 13.130 -1.735 -10.225
46 HD2 PRO 8 HD2 PRO 8 11.489 -3.419 -8.883
47 HD3 PRO 8 HD3 PRO 8 12.954 -3.976 -9.717
48 H CYS 9 H CYS 9 15.491 -1.358 -5.490
49 HA CYS 9 HA CYS 9 13.177 -0.121 -4.204
50 HB2 CYS 9 HB2 CYS 9 14.123 -0.712 -1.948
51 HB3 CYS 9 HB3 CYS 9 13.465 -2.073 -2.850
52 HA PRO 10 HA PRO 10 16.905 2.645 -4.796
53 HB2 PRO 10 HB2 PRO 10 15.587 4.569 -6.186
54 HB3 PRO 10 HB3 PRO 10 16.341 3.171 -6.961
55 HG2 PRO 10 HG2 PRO 10 13.469 3.618 -6.242
56 HG3 PRO 10 HG3 PRO 10 14.157 2.928 -7.724
57 HD2 PRO 10 HD2 PRO 10 13.120 1.395 -5.748
58 HD3 PRO 10 HD3 PRO 10 14.474 0.858 -6.762
59 H ASN 11 H ASN 11 13.544 3.261 -3.919
60 HA ASN 11 HA ASN 11 14.326 5.579 -2.323
61 HB2 ASN 11 HB2 ASN 11 11.663 4.435 -3.150
62 HB3 ASN 11 HB3 ASN 11 11.792 5.686 -1.917
63 HD21 ASN 11 HD21 ASN 11 11.377 5.107 -5.140
64 HD22 ASN 11 HD22 ASN 11 11.797 6.664 -5.761
65 H ASP 12 H ASP 12 15.170 2.903 -1.561
66 HA ASP 12 HA ASP 12 13.566 1.942 0.577
67 HB2 ASP 12 HB2 ASP 12 15.167 0.485 -0.539
68 HB3 ASP 12 HB3 ASP 12 16.500 1.516 -0.024
69 H ARG 13 H ARG 13 13.235 2.893 2.465
70 HA ARG 13 HA ARG 13 15.447 4.352 3.728
71 HB2 ARG 13 HB2 ARG 13 13.568 5.945 4.579
72 HB3 ARG 13 HB3 ARG 13 14.242 6.180 2.971
73 HG2 ARG 13 HG2 ARG 13 12.335 4.948 2.019
74 HG3 ARG 13 HG3 ARG 13 11.650 4.801 3.639
75 HD2 ARG 13 HD2 ARG 13 12.380 7.496 2.581
76 HD3 ARG 13 HD3 ARG 13 10.884 6.729 2.049
77 HE ARG 13 HE ARG 13 10.832 6.545 4.777
78 HH11 ARG 13 HH11 ARG 13 11.125 9.138 2.472
79 HH12 ARG 13 HH12 ARG 13 10.355 10.307 3.493
80 HH21 ARG 13 HH21 ARG 13 9.816 8.074 6.130
81 HH22 ARG 13 HH22 ARG 13 9.612 9.701 5.573
82 HA PRO 14 HA PRO 14 14.382 2.234 7.419
83 HB2 PRO 14 HB2 PRO 14 14.854 4.114 9.320
84 HB3 PRO 14 HB3 PRO 14 16.148 3.305 8.426
85 HG2 PRO 14 HG2 PRO 14 14.936 6.005 7.976
86 HG3 PRO 14 HG3 PRO 14 16.642 5.524 7.936
87 HD2 PRO 14 HD2 PRO 14 15.171 5.864 5.688
88 HD3 PRO 14 HD3 PRO 14 16.482 4.671 5.800
89 H GLY 15 H GLY 15 12.226 1.773 7.492
90 HA2 GLY 15 HA2 GLY 15 10.309 2.075 8.962
91 HA3 GLY 15 HA3 GLY 15 10.507 3.810 8.761
92 H HIS 16 H HIS 16 11.101 2.801 5.788
93 HA HIS 16 HA HIS 16 8.445 2.146 4.889
94 HB2 HIS 16 HB2 HIS 16 8.647 4.738 5.297
95 HB3 HIS 16 HB3 HIS 16 9.517 4.705 3.766
96 HD1 HIS 16 HD1 HIS 16 6.277 3.060 4.926
97 HD2 HIS 16 HD2 HIS 16 7.779 5.376 1.821
98 HE1 HIS 16 HE1 HIS 16 4.356 3.379 3.334
99 H ARG 17 H ARG 17 9.612 0.359 4.044
100 HA ARG 17 HA ARG 17 11.562 0.914 1.942
101 HB2 ARG 17 HB2 ARG 17 10.647 -1.796 2.899
102 HB3 ARG 17 HB3 ARG 17 12.120 -1.400 2.022
103 HG2 ARG 17 HG2 ARG 17 12.895 -0.120 3.996
104 HG3 ARG 17 HG3 ARG 17 11.461 -0.669 4.866
105 HD2 ARG 17 HD2 ARG 17 12.259 -2.770 5.125
106 HD3 ARG 17 HD3 ARG 17 13.070 -2.768 3.560
107 HE ARG 17 HE ARG 17 14.544 -1.041 5.039
108 HH11 ARG 17 HH11 ARG 17 13.468 -4.316 5.523
109 HH12 ARG 17 HH12 ARG 17 14.840 -4.763 6.483
110 HH21 ARG 17 HH21 ARG 17 16.355 -1.616 6.301
111 HH22 ARG 17 HH22 ARG 17 16.480 -3.226 6.926
112 H THR 18 H THR 18 11.383 -0.281 -0.118
113 HA THR 18 HA THR 18 8.637 -0.134 -1.104
114 HB THR 18 HB THR 18 9.525 0.003 -3.302
115 HG1 THR 18 HG1 THR 18 11.761 -1.179 -2.116
116 HG21 THR 18 HG21 THR 18 11.680 1.510 -1.917
117 HG22 THR 18 HG22 THR 18 10.011 1.910 -1.512
118 HG23 THR 18 HG23 THR 18 10.567 2.032 -3.181
119 H CYS 19 H CYS 19 9.776 -2.407 0.507
120 HA CYS 19 HA CYS 19 9.324 -4.569 -1.444
121 HB2 CYS 19 HB2 CYS 19 10.939 -4.530 1.107
122 HB3 CYS 19 HB3 CYS 19 10.519 -6.015 0.260
123 H CYS 20 H CYS 20 7.953 -6.274 -0.891
124 HA CYS 20 HA CYS 20 5.803 -5.551 0.876
125 HB2 CYS 20 HB2 CYS 20 6.187 -7.341 -1.328
126 HB3 CYS 20 HB3 CYS 20 5.524 -8.245 0.031
127 H ILE 21 H ILE 21 4.899 -7.641 2.148
128 HA ILE 21 HA ILE 21 6.550 -7.927 4.393
129 HB ILE 21 HB ILE 21 4.145 -8.197 4.564
130 HG12 ILE 21 HG12 ILE 21 5.220 -10.917 5.223
131 HG13 ILE 21 HG13 ILE 21 5.876 -9.501 6.038
132 HG21 ILE 21 HG21 ILE 21 4.383 -10.836 3.147
133 HG22 ILE 21 HG22 ILE 21 2.921 -9.956 3.590
134 HG23 ILE 21 HG23 ILE 21 3.964 -9.344 2.307
135 HD11 ILE 21 HD11 ILE 21 2.929 -9.992 5.964
136 HD12 ILE 21 HD12 ILE 21 3.960 -10.798 7.147
137 HD13 ILE 21 HD13 ILE 21 3.875 -9.037 7.105
138 H GLY 22 H GLY 22 7.922 -9.511 5.092
139 HA2 GLY 22 HA2 GLY 22 9.247 -11.397 5.027
140 HA3 GLY 22 HA3 GLY 22 8.184 -12.039 3.784
141 H LEU 23 H LEU 23 9.852 -8.964 3.532
142 HA LEU 23 HA LEU 23 11.745 -10.144 1.625
143 HB2 LEU 23 HB2 LEU 23 10.005 -7.731 1.149
144 HB3 LEU 23 HB3 LEU 23 11.382 -8.169 0.141
145 HG LEU 23 HG LEU 23 8.879 -9.813 0.518
146 HD11 LEU 23 HD11 LEU 23 8.925 -9.221 -2.084
147 HD12 LEU 23 HD12 LEU 23 9.714 -7.775 -1.455
148 HD13 LEU 23 HD13 LEU 23 8.104 -8.218 -0.888
149 HD21 LEU 23 HD21 LEU 23 10.254 -11.485 -0.073
150 HD22 LEU 23 HD22 LEU 23 11.513 -10.386 -0.639
151 HD23 LEU 23 HD23 LEU 23 10.147 -10.776 -1.685
152 H GLN 24 H GLN 24 13.448 -8.465 0.985
153 HA GLN 24 HA GLN 24 13.973 -6.450 3.007
154 HB2 GLN 24 HB2 GLN 24 14.980 -8.293 4.115
155 HB3 GLN 24 HB3 GLN 24 15.701 -8.889 2.626
156 HG2 GLN 24 HG2 GLN 24 17.426 -7.415 2.701
157 HG3 GLN 24 HG3 GLN 24 16.485 -6.184 3.541
158 HE21 GLN 24 HE21 GLN 24 17.818 -9.430 4.042
159 HE22 GLN 24 HE22 GLN 24 18.274 -9.176 5.689
160 H CYS 25 H CYS 25 15.385 -4.851 2.334
161 HA CYS 25 HA CYS 25 16.019 -4.907 -0.527
162 HB2 CYS 25 HB2 CYS 25 14.660 -3.023 0.218
163 HB3 CYS 25 HB3 CYS 25 15.875 -2.595 1.418
164 H ARG 26 H ARG 26 18.009 -5.551 -1.005
165 HA ARG 26 HA ARG 26 20.267 -4.329 0.363
166 HB2 ARG 26 HB2 ARG 26 19.872 -7.321 0.206
167 HB3 ARG 26 HB3 ARG 26 21.391 -6.545 0.635
168 HG2 ARG 26 HG2 ARG 26 18.835 -6.109 2.156
169 HG3 ARG 26 HG3 ARG 26 20.004 -7.370 2.556
170 HD2 ARG 26 HD2 ARG 26 21.712 -5.406 2.550
171 HD3 ARG 26 HD3 ARG 26 20.278 -4.399 2.743
172 HE ARG 26 HE ARG 26 21.452 -6.152 4.708
173 HH11 ARG 26 HH11 ARG 26 18.590 -4.441 3.705
174 HH12 ARG 26 HH12 ARG 26 17.898 -4.404 5.293
175 HH21 ARG 26 HH21 ARG 26 20.551 -6.108 6.803
176 HH22 ARG 26 HH22 ARG 26 19.014 -5.351 7.055
177 H TYR 27 H TYR 27 22.167 -4.298 -0.860
178 HA TYR 27 HA TYR 27 23.431 -4.229 -2.749
179 HB2 TYR 27 HB2 TYR 27 21.770 -6.489 -3.848
180 HB3 TYR 27 HB3 TYR 27 23.456 -6.111 -4.183
181 HD1 TYR 27 HD2 TYR 27 25.196 -6.620 -2.507
182 HD2 TYR 27 HD1 TYR 27 21.142 -7.771 -1.923
183 HE1 TYR 27 HE2 TYR 27 25.902 -8.189 -0.750
184 HE2 TYR 27 HE1 TYR 27 21.836 -9.343 -0.163
185 HH TYR 27 HH TYR 27 25.081 -10.220 0.343
186 H GLY 28 H GLY 28 21.099 -2.590 -2.560
187 HA2 GLY 28 HA2 GLY 28 19.948 -1.105 -3.881
188 HA3 GLY 28 HA3 GLY 28 20.958 -1.638 -5.217
189 H LYS 29 H LYS 29 19.305 -4.181 -3.712
190 HA LYS 29 HA LYS 29 16.982 -3.973 -5.470
191 HB2 LYS 29 HB2 LYS 29 19.225 -5.809 -5.854
192 HB3 LYS 29 HB3 LYS 29 17.675 -6.633 -5.752
193 HG2 LYS 29 HG2 LYS 29 16.813 -5.443 -7.604
194 HG3 LYS 29 HG3 LYS 29 18.164 -4.306 -7.589
195 HD2 LYS 29 HD2 LYS 29 18.440 -5.911 -9.389
196 HD3 LYS 29 HD3 LYS 29 19.693 -6.148 -8.168
197 HE2 LYS 29 HE2 LYS 29 18.953 -8.202 -7.636
198 HE3 LYS 29 HE3 LYS 29 17.259 -7.722 -7.730
199 HZ1 LYS 29 HZ1 LYS 29 18.565 -7.795 -10.287
200 HZ2 LYS 29 HZ2 LYS 29 17.095 -8.479 -9.805
201 HZ3 LYS 29 HZ3 LYS 29 18.546 -9.300 -9.515
202 H CYS 30 H CYS 30 15.402 -5.779 -5.024
203 HA CYS 30 HA CYS 30 15.273 -6.191 -2.129
204 HB2 CYS 30 HB2 CYS 30 13.370 -5.126 -3.452
205 HB3 CYS 30 HB3 CYS 30 13.077 -6.725 -4.127
206 H LEU 31 H LEU 31 14.976 -8.201 -1.194
207 HA LEU 31 HA LEU 31 14.946 -10.562 -2.901
208 HB2 LEU 31 HB2 LEU 31 16.824 -11.288 -1.040
209 HB3 LEU 31 HB3 LEU 31 17.144 -10.855 -2.718
210 HG LEU 31 HG LEU 31 17.103 -8.700 -0.655
211 HD11 LEU 31 HD11 LEU 31 19.753 -9.771 -1.076
212 HD12 LEU 31 HD12 LEU 31 18.690 -10.950 -0.309
213 HD13 LEU 31 HD13 LEU 31 18.925 -9.365 0.427
214 HD21 LEU 31 HD21 LEU 31 17.537 -7.662 -2.603
215 HD22 LEU 31 HD22 LEU 31 18.095 -9.139 -3.388
216 HD23 LEU 31 HD23 LEU 31 19.180 -8.241 -2.326
217 H VAL 32 H VAL 32 15.012 -12.593 -1.364
218 HA VAL 32 HA VAL 32 12.764 -12.303 0.399
219 HB VAL 32 HB VAL 32 12.908 -14.310 -0.919
220 HG11 VAL 32 HG11 VAL 32 14.837 -15.316 -1.359
221 HG12 VAL 32 HG12 VAL 32 15.656 -14.185 -0.280
222 HG13 VAL 32 HG13 VAL 32 15.044 -15.717 0.345
223 HG21 VAL 32 HG21 VAL 32 12.658 -16.008 0.815
224 HG22 VAL 32 HG22 VAL 32 13.435 -14.942 1.985
225 HG23 VAL 32 HG23 VAL 32 11.875 -14.502 1.291
226 H ARG 33 H ARG 33 12.924 -11.628 2.425
227 HA ARG 33 HA ARG 33 15.413 -11.568 3.832
228 HB2 ARG 33 HB2 ARG 33 13.587 -9.865 4.077
229 HB3 ARG 33 HB3 ARG 33 12.645 -11.076 4.936
230 HG2 ARG 33 HG2 ARG 33 14.327 -11.194 6.675
231 HG3 ARG 33 HG3 ARG 33 15.338 -10.043 5.799
232 HD2 ARG 33 HD2 ARG 33 14.313 -8.613 7.249
233 HD3 ARG 33 HD3 ARG 33 13.146 -8.571 5.928
234 HE ARG 33 HE ARG 33 11.626 -9.628 7.279
235 HH11 ARG 33 HH11 ARG 33 14.797 -9.882 8.695
236 HH12 ARG 33 HH12 ARG 33 14.219 -10.542 10.189
237 HH21 ARG 33 HH21 ARG 33 10.854 -10.497 9.242
238 HH22 ARG 33 HH22 ARG 33 11.976 -10.893 10.499
Contact the webmaster for help, if required. Thursday, May 23, 2024 12:28:40 PM GMT (wattos1)