Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544512 | 2lvr RC | 18586 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 17.148 3.314 -4.062
2 H2 MET 1 HT2 MET 1 15.853 3.595 -3.007
3 H3 MET 1 HT3 MET 1 15.671 2.517 -4.300
4 HA MET 1 HA MET 1 17.196 0.984 -3.359
5 HB2 MET 1 HB2 MET 1 17.566 3.128 -1.273
6 HB3 MET 1 HB1 MET 1 18.002 1.452 -0.979
7 HG2 MET 1 HG2 MET 1 19.553 1.538 -2.871
8 HG3 MET 1 HG1 MET 1 19.135 3.232 -3.121
9 HE1 MET 1 HE1 MET 1 22.113 2.085 -2.700
10 HE2 MET 1 HE2 MET 1 22.792 3.321 -1.642
11 HE3 MET 1 HE3 MET 1 21.769 3.789 -2.999
12 H LYS 2 HN LYS 2 15.441 2.832 -0.838
13 HA LYS 2 HA LYS 2 14.053 0.349 -0.166
14 HB2 LYS 2 HB2 LYS 2 13.424 1.446 1.921
15 HB3 LYS 2 HB1 LYS 2 15.161 1.542 1.670
16 HG2 LYS 2 HG2 LYS 2 14.924 3.853 0.916
17 HG3 LYS 2 HG1 LYS 2 13.181 3.754 1.167
18 HD2 LYS 2 HD2 LYS 2 13.608 3.261 3.560
19 HD3 LYS 2 HD1 LYS 2 15.330 3.514 3.268
20 HE2 LYS 2 HE2 LYS 2 14.414 5.532 4.178
21 HE3 LYS 2 HE1 LYS 2 14.799 5.809 2.480
22 HZ1 LYS 2 HZ1 LYS 2 12.095 5.223 3.566
23 HZ2 LYS 2 HZ2 LYS 2 12.460 5.497 1.932
24 HZ3 LYS 2 HZ3 LYS 2 12.652 6.742 3.064
25 HA PRO 3 HA PRO 3 10.339 2.152 -1.931
26 HB2 PRO 3 HB2 PRO 3 9.116 -0.130 -2.497
27 HB3 PRO 3 HB1 PRO 3 10.538 0.371 -3.432
28 HG2 PRO 3 HG2 PRO 3 10.317 -1.658 -1.253
29 HG3 PRO 3 HG1 PRO 3 11.279 -1.699 -2.738
30 HD2 PRO 3 HD2 PRO 3 12.200 -0.970 -0.189
31 HD3 PRO 3 HD1 PRO 3 13.040 -0.673 -1.725
32 H TYR 4 HN TYR 4 7.992 1.703 -1.436
33 HA TYR 4 HA TYR 4 7.606 0.785 1.329
34 HB2 TYR 4 HB2 TYR 4 6.119 2.883 -0.278
35 HB3 TYR 4 HB1 TYR 4 5.426 2.125 1.157
36 HD1 TYR 4 HD1 TYR 4 8.109 4.333 -0.052
37 HD2 TYR 4 HD2 TYR 4 6.213 2.642 3.356
38 HE1 TYR 4 HE1 TYR 4 9.308 5.916 1.392
39 HE2 TYR 4 HE2 TYR 4 7.404 4.227 4.810
40 HH TYR 4 HH TYR 4 9.532 5.569 4.715
41 H VAL 5 HN VAL 5 7.026 -1.279 1.196
42 HA VAL 5 HA VAL 5 5.619 -2.193 -1.177
43 HB VAL 5 HB VAL 5 6.161 -4.422 -0.488
44 HG11 VAL 5 HG11 VAL 5 8.528 -2.611 -0.067
45 HG12 VAL 5 HG12 VAL 5 7.888 -3.124 -1.625
46 HG13 VAL 5 HG13 VAL 5 8.589 -4.313 -0.527
47 HG21 VAL 5 HG21 VAL 5 7.400 -4.904 1.582
48 HG22 VAL 5 HG22 VAL 5 5.807 -4.220 1.916
49 HG23 VAL 5 HG23 VAL 5 7.249 -3.212 2.054
50 H CYS 6 HN CYS 6 3.668 -3.117 -1.218
51 HA CYS 6 HA CYS 6 1.775 -2.575 0.817
52 HB2 CYS 6 HB2 CYS 6 1.220 -2.845 -1.595
53 HB3 CYS 6 HB1 CYS 6 1.579 -4.560 -1.458
54 H ILE 7 HN ILE 7 1.450 -3.649 2.642
55 HA ILE 7 HA ILE 7 2.922 -5.934 3.346
56 HB ILE 7 HB ILE 7 0.448 -4.964 4.766
57 HG12 ILE 7 HG12 ILE 7 1.678 -2.960 4.403
58 HG13 ILE 7 HG11 ILE 7 2.068 -3.475 6.042
59 HG21 ILE 7 HG21 ILE 7 3.008 -6.213 5.731
60 HG22 ILE 7 HG22 ILE 7 1.447 -7.019 5.585
61 HG23 ILE 7 HG23 ILE 7 1.658 -5.713 6.751
62 HD11 ILE 7 HD11 ILE 7 3.773 -3.932 3.607
63 HD12 ILE 7 HD12 ILE 7 4.181 -4.388 5.266
64 HD13 ILE 7 HD13 ILE 7 4.034 -2.685 4.832
65 H HIS 8 HN HIS 8 -0.063 -5.547 1.709
66 HA HIS 8 HA HIS 8 -1.072 -8.122 2.636
67 HB2 HIS 8 HB2 HIS 8 -2.509 -6.011 2.445
68 HB3 HIS 8 HB1 HIS 8 -2.492 -6.302 0.703
69 HD1 HIS 8 HD1 HIS 8 -3.952 -8.223 -0.191
70 HD2 HIS 8 HD2 HIS 8 -3.978 -7.903 3.960
71 HE1 HIS 8 HE1 HIS 8 -5.810 -9.715 0.596
72 HE2 HIS 8 HE2 HIS 8 -5.705 -9.631 3.109
73 H CYS 9 HN CYS 9 0.189 -6.676 -0.352
74 HA CYS 9 HA CYS 9 -0.126 -9.319 -1.580
75 HB2 CYS 9 HB2 CYS 9 -0.836 -8.366 -3.620
76 HB3 CYS 9 HB1 CYS 9 -1.805 -7.624 -2.363
77 H GLN 10 HN GLN 10 2.000 -6.997 -0.642
78 HA GLN 10 HA GLN 10 4.225 -6.758 -0.829
79 HB2 GLN 10 HB2 GLN 10 4.003 -9.397 -2.266
80 HB3 GLN 10 HB1 GLN 10 5.537 -8.630 -1.848
81 HG2 GLN 10 HG2 GLN 10 4.917 -8.696 0.519
82 HG3 GLN 10 HG1 GLN 10 3.399 -9.485 0.095
83 HE21 GLN 10 HE21 GLN 10 6.845 -9.831 0.355
84 HE22 GLN 10 HE22 GLN 10 6.874 -11.570 0.236
85 H ARG 11 HN ARG 11 2.936 -5.170 -2.481
86 HA ARG 11 HA ARG 11 4.449 -5.224 -4.988
87 HB2 ARG 11 HB2 ARG 11 1.922 -3.823 -4.143
88 HB3 ARG 11 HB1 ARG 11 2.846 -3.281 -5.541
89 HG2 ARG 11 HG2 ARG 11 1.710 -6.045 -5.192
90 HG3 ARG 11 HG1 ARG 11 0.959 -4.748 -6.123
91 HD2 ARG 11 HD2 ARG 11 3.029 -4.645 -7.510
92 HD3 ARG 11 HD1 ARG 11 3.615 -6.069 -6.651
93 HE ARG 11 HE ARG 11 1.206 -6.872 -7.576
94 HH11 ARG 11 HH11 ARG 11 3.974 -5.400 -9.096
95 HH12 ARG 11 HH12 ARG 11 3.676 -6.109 -10.655
96 HH21 ARG 11 HH21 ARG 11 0.781 -7.813 -9.626
97 HH22 ARG 11 HH22 ARG 11 1.847 -7.473 -10.960
98 H GLN 12 HN GLN 12 6.079 -3.780 -5.264
99 HA GLN 12 HA GLN 12 6.766 -2.129 -2.991
100 HB2 GLN 12 HB2 GLN 12 8.250 -2.510 -5.589
101 HB3 GLN 12 HB1 GLN 12 8.892 -1.848 -4.099
102 HG2 GLN 12 HG2 GLN 12 8.625 -3.999 -3.003
103 HG3 GLN 12 HG1 GLN 12 7.933 -4.671 -4.474
104 HE21 GLN 12 HE21 GLN 12 9.497 -6.239 -4.620
105 HE22 GLN 12 HE22 GLN 12 11.133 -5.884 -5.107
106 H PHE 13 HN PHE 13 5.979 -0.154 -2.830
107 HA PHE 13 HA PHE 13 5.604 1.432 -5.281
108 HB2 PHE 13 HB2 PHE 13 4.197 1.443 -2.631
109 HB3 PHE 13 HB1 PHE 13 4.206 2.910 -3.620
110 HD1 PHE 13 HD2 PHE 13 3.300 -0.695 -3.664
111 HD2 PHE 13 HD1 PHE 13 2.742 3.142 -5.413
112 HE1 PHE 13 HE2 PHE 13 1.440 -1.580 -5.008
113 HE2 PHE 13 HE1 PHE 13 0.880 2.265 -6.756
114 HZ PHE 13 HZ PHE 13 0.227 -0.099 -6.557
115 H ALA 14 HN ALA 14 5.781 3.898 -4.750
116 HA ALA 14 HA ALA 14 8.508 4.256 -3.807
117 HB1 ALA 14 HB1 ALA 14 7.679 5.238 -5.966
118 HB2 ALA 14 HB2 ALA 14 8.452 6.381 -4.869
119 HB3 ALA 14 HB3 ALA 14 6.693 6.339 -4.997
120 H ASP 15 HN ASP 15 5.321 5.676 -3.200
121 HA ASP 15 HA ASP 15 6.480 7.142 -0.937
122 HB2 ASP 15 HB2 ASP 15 3.947 7.711 -2.496
123 HB3 ASP 15 HB1 ASP 15 4.612 8.693 -1.204
124 HA PRO 16 HA PRO 16 3.993 4.844 1.918
125 HB2 PRO 16 HB2 PRO 16 3.729 6.745 3.865
126 HB3 PRO 16 HB1 PRO 16 5.192 5.782 3.631
127 HG2 PRO 16 HG2 PRO 16 4.604 8.577 2.760
128 HG3 PRO 16 HG1 PRO 16 6.104 7.896 3.413
129 HD2 PRO 16 HD2 PRO 16 5.735 8.362 0.767
130 HD3 PRO 16 HD1 PRO 16 6.751 7.039 1.379
131 H GLY 17 HN GLY 17 3.092 8.077 0.876
132 HA2 GLY 17 HA2 GLY 17 0.389 8.024 1.682
133 HA3 GLY 17 HA1 GLY 17 1.051 8.991 0.369
134 H ALA 18 HN ALA 18 2.056 6.689 -1.094
135 HA ALA 18 HA ALA 18 -0.344 6.034 -2.500
136 HB1 ALA 18 HB1 ALA 18 1.088 4.670 -3.932
137 HB2 ALA 18 HB2 ALA 18 2.450 4.974 -2.851
138 HB3 ALA 18 HB3 ALA 18 1.712 6.311 -3.738
139 H LEU 19 HN LEU 19 1.632 4.457 -0.061
140 HA LEU 19 HA LEU 19 0.570 1.870 -0.464
141 HB2 LEU 19 HB2 LEU 19 2.079 3.217 1.722
142 HB3 LEU 19 HB1 LEU 19 1.203 1.740 2.108
143 HG LEU 19 HG LEU 19 3.501 2.091 0.201
144 HD11 LEU 19 HD11 LEU 19 4.050 1.771 2.541
145 HD12 LEU 19 HD12 LEU 19 4.479 0.338 1.606
146 HD13 LEU 19 HD13 LEU 19 3.025 0.339 2.603
147 HD21 LEU 19 HD21 LEU 19 3.199 -0.300 -0.358
148 HD22 LEU 19 HD22 LEU 19 1.882 0.712 -0.951
149 HD23 LEU 19 HD23 LEU 19 1.653 -0.278 0.490
150 H GLN 20 HN GLN 20 -0.407 4.715 1.326
151 HA GLN 20 HA GLN 20 -2.352 3.231 2.713
152 HB2 GLN 20 HB2 GLN 20 -2.938 5.168 3.884
153 HB3 GLN 20 HB1 GLN 20 -1.238 5.380 3.524
154 HG2 GLN 20 HG2 GLN 20 -2.032 7.449 3.033
155 HG3 GLN 20 HG1 GLN 20 -2.118 6.681 1.451
156 HE21 GLN 20 HE21 GLN 20 -4.364 5.928 4.017
157 HE22 GLN 20 HE22 GLN 20 -5.742 6.700 3.300
158 H ARG 21 HN ARG 21 -2.249 5.164 -0.075
159 HA ARG 21 HA ARG 21 -5.004 5.060 -0.758
160 HB2 ARG 21 HB2 ARG 21 -2.606 6.037 -1.932
161 HB3 ARG 21 HB1 ARG 21 -3.353 4.964 -3.105
162 HG2 ARG 21 HG2 ARG 21 -4.101 7.201 -3.505
163 HG3 ARG 21 HG1 ARG 21 -5.454 6.254 -2.879
164 HD2 ARG 21 HD2 ARG 21 -5.152 7.205 -0.680
165 HD3 ARG 21 HD1 ARG 21 -3.711 8.069 -1.220
166 HE ARG 21 HE ARG 21 -6.122 8.685 -2.692
167 HH11 ARG 21 HH11 ARG 21 -4.156 9.496 0.088
168 HH12 ARG 21 HH12 ARG 21 -4.668 11.157 0.133
169 HH21 ARG 21 HH21 ARG 21 -6.833 10.841 -2.618
170 HH22 ARG 21 HH22 ARG 21 -6.226 11.921 -1.396
171 H HIS 22 HN HIS 22 -2.274 2.934 -1.136
172 HA HIS 22 HA HIS 22 -3.464 1.132 -3.002
173 HB2 HIS 22 HB2 HIS 22 -1.011 1.444 -2.553
174 HB3 HIS 22 HB1 HIS 22 -1.233 0.566 -1.055
175 HD1 HIS 22 HD1 HIS 22 -1.769 -0.038 -4.793
176 HD2 HIS 22 HD2 HIS 22 -0.897 -2.025 -1.256
177 HE1 HIS 22 HE1 HIS 22 -1.301 -2.442 -5.428
178 H VAL 23 HN VAL 23 -2.927 1.029 0.496
179 HA VAL 23 HA VAL 23 -3.801 -1.604 0.749
180 HB VAL 23 HB VAL 23 -3.582 0.569 2.838
181 HG11 VAL 23 HG11 VAL 23 -5.220 -1.077 3.591
182 HG12 VAL 23 HG12 VAL 23 -3.728 -1.203 4.524
183 HG13 VAL 23 HG13 VAL 23 -4.076 -2.382 3.259
184 HG21 VAL 23 HG21 VAL 23 -1.553 -0.619 3.495
185 HG22 VAL 23 HG22 VAL 23 -1.478 -0.129 1.801
186 HG23 VAL 23 HG23 VAL 23 -1.825 -1.806 2.219
187 H ARG 24 HN ARG 24 -5.477 1.482 1.005
188 HA ARG 24 HA ARG 24 -7.944 0.393 1.900
189 HB2 ARG 24 HB2 ARG 24 -8.908 2.564 1.340
190 HB3 ARG 24 HB1 ARG 24 -7.401 2.755 2.222
191 HG2 ARG 24 HG2 ARG 24 -6.233 3.296 0.183
192 HG3 ARG 24 HG1 ARG 24 -7.699 3.007 -0.758
193 HD2 ARG 24 HD2 ARG 24 -7.347 5.115 1.369
194 HD3 ARG 24 HD1 ARG 24 -7.337 5.396 -0.372
195 HE ARG 24 HE ARG 24 -9.728 4.105 0.646
196 HH11 ARG 24 HH11 ARG 24 -8.166 7.153 -0.089
197 HH12 ARG 24 HH12 ARG 24 -9.650 8.027 -0.296
198 HH21 ARG 24 HH21 ARG 24 -11.677 5.235 0.416
199 HH22 ARG 24 HH22 ARG 24 -11.673 6.926 0.001
200 H ILE 25 HN ILE 25 -6.400 0.596 -1.182
201 HA ILE 25 HA ILE 25 -8.642 0.178 -2.840
202 HB ILE 25 HB ILE 25 -5.717 -0.456 -3.128
203 HG12 ILE 25 HG12 ILE 25 -6.273 1.847 -3.403
204 HG13 ILE 25 HG11 ILE 25 -5.908 1.191 -4.985
205 HG21 ILE 25 HG21 ILE 25 -6.150 -1.074 -5.467
206 HG22 ILE 25 HG22 ILE 25 -7.872 -1.118 -5.100
207 HG23 ILE 25 HG23 ILE 25 -6.768 -2.239 -4.298
208 HD11 ILE 25 HD11 ILE 25 -8.654 1.716 -3.876
209 HD12 ILE 25 HD12 ILE 25 -8.299 1.021 -5.457
210 HD13 ILE 25 HD13 ILE 25 -7.811 2.676 -5.092
211 H HIS 26 HN HIS 26 -6.641 -1.984 -0.892
212 HA HIS 26 HA HIS 26 -7.754 -4.398 -1.904
213 HB2 HIS 26 HB2 HIS 26 -6.215 -3.732 0.581
214 HB3 HIS 26 HB1 HIS 26 -6.970 -5.312 0.402
215 HD1 HIS 26 HD1 HIS 26 -6.304 -5.934 -2.544
216 HD2 HIS 26 HD2 HIS 26 -3.634 -4.261 0.171
217 HE1 HIS 26 HE1 HIS 26 -3.965 -6.454 -3.411
218 H THR 27 HN THR 27 -8.625 -2.243 0.775
219 HA THR 27 HA THR 27 -10.743 -3.894 1.704
220 HB THR 27 HB THR 27 -11.445 -1.188 2.186
221 HG1 THR 27 HG1 THR 27 -9.618 -0.174 2.369
222 HG21 THR 27 HG21 THR 27 -10.910 -1.782 4.516
223 HG22 THR 27 HG22 THR 27 -10.131 -3.256 3.944
224 HG23 THR 27 HG23 THR 27 -11.863 -3.027 3.706
225 H GLY 28 HN GLY 28 -10.517 -1.275 -0.644
226 HA2 GLY 28 HA2 GLY 28 -11.825 -0.886 -2.511
227 HA3 GLY 28 HA1 GLY 28 -12.794 -2.288 -2.083
228 H GLU 29 HN GLU 29 -13.895 -1.824 0.195
229 HA GLU 29 HA GLU 29 -15.917 0.061 -0.314
230 HB2 GLU 29 HB2 GLU 29 -15.274 -1.215 2.340
231 HB3 GLU 29 HB1 GLU 29 -16.838 -0.686 1.746
232 HG2 GLU 29 HG2 GLU 29 -16.618 -2.416 -0.063
233 HG3 GLU 29 HG1 GLU 29 -15.218 -3.027 0.814
234 H LYS 30 HN LYS 30 -12.962 0.156 1.507
235 HA LYS 30 HA LYS 30 -13.284 3.019 1.827
236 HB2 LYS 30 HB2 LYS 30 -12.383 2.844 4.198
237 HB3 LYS 30 HB1 LYS 30 -14.059 2.380 3.957
238 HG2 LYS 30 HG2 LYS 30 -13.418 0.026 3.988
239 HG3 LYS 30 HG1 LYS 30 -11.729 0.489 4.208
240 HD2 LYS 30 HD2 LYS 30 -12.294 1.572 6.325
241 HD3 LYS 30 HD1 LYS 30 -13.989 1.134 6.103
242 HE2 LYS 30 HE2 LYS 30 -13.378 -1.234 6.152
243 HE3 LYS 30 HE1 LYS 30 -11.687 -0.790 6.381
244 HZ1 LYS 30 HZ1 LYS 30 -13.904 -0.135 8.244
245 HZ2 LYS 30 HZ2 LYS 30 -12.271 0.264 8.467
246 HZ3 LYS 30 HZ3 LYS 30 -12.756 -1.360 8.475
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 16.761 2.211 -0.020
2 H2 MET 1 HT2 MET 1 17.753 2.707 1.264
3 H3 MET 1 HT3 MET 1 16.078 2.574 1.488
4 HA MET 1 HA MET 1 17.969 0.361 0.957
5 HB2 MET 1 HB2 MET 1 18.095 1.196 3.249
6 HB3 MET 1 HB1 MET 1 16.347 1.084 3.408
7 HG2 MET 1 HG2 MET 1 16.480 -1.342 3.147
8 HG3 MET 1 HG1 MET 1 18.234 -1.229 3.005
9 HE1 MET 1 HE1 MET 1 18.938 1.008 5.111
10 HE2 MET 1 HE2 MET 1 19.838 -0.505 4.997
11 HE3 MET 1 HE3 MET 1 19.248 0.057 6.562
12 H LYS 2 HN LYS 2 14.689 0.794 2.301
13 HA LYS 2 HA LYS 2 13.764 -1.276 0.413
14 HB2 LYS 2 HB2 LYS 2 12.638 -0.661 3.151
15 HB3 LYS 2 HB1 LYS 2 12.098 -1.932 2.066
16 HG2 LYS 2 HG2 LYS 2 14.313 -3.015 2.304
17 HG3 LYS 2 HG1 LYS 2 14.747 -1.774 3.484
18 HD2 LYS 2 HD2 LYS 2 12.757 -2.450 4.827
19 HD3 LYS 2 HD1 LYS 2 12.508 -3.784 3.700
20 HE2 LYS 2 HE2 LYS 2 14.754 -4.627 4.249
21 HE3 LYS 2 HE1 LYS 2 14.938 -3.322 5.421
22 HZ1 LYS 2 HZ1 LYS 2 12.869 -4.226 6.503
23 HZ2 LYS 2 HZ2 LYS 2 14.252 -5.197 6.626
24 HZ3 LYS 2 HZ3 LYS 2 13.038 -5.593 5.510
25 HA PRO 3 HA PRO 3 10.927 1.969 -0.900
26 HB2 PRO 3 HB2 PRO 3 9.504 0.414 -2.616
27 HB3 PRO 3 HB1 PRO 3 11.084 1.104 -3.041
28 HG2 PRO 3 HG2 PRO 3 10.415 -1.651 -2.071
29 HG3 PRO 3 HG1 PRO 3 11.496 -1.156 -3.382
30 HD2 PRO 3 HD2 PRO 3 12.424 -1.848 -0.941
31 HD3 PRO 3 HD1 PRO 3 13.213 -0.602 -1.933
32 H TYR 4 HN TYR 4 8.434 1.937 -1.054
33 HA TYR 4 HA TYR 4 7.556 0.700 1.425
34 HB2 TYR 4 HB2 TYR 4 6.234 2.857 -0.268
35 HB3 TYR 4 HB1 TYR 4 5.597 2.212 1.248
36 HD1 TYR 4 HD2 TYR 4 6.989 2.412 3.341
37 HD2 TYR 4 HD1 TYR 4 7.875 4.580 -0.209
38 HE1 TYR 4 HE2 TYR 4 8.399 3.944 4.642
39 HE2 TYR 4 HE1 TYR 4 9.303 6.116 1.080
40 HH TYR 4 HH TYR 4 10.355 5.452 4.212
41 H VAL 5 HN VAL 5 7.299 -1.376 0.872
42 HA VAL 5 HA VAL 5 5.733 -2.118 -1.432
43 HB VAL 5 HB VAL 5 6.220 -4.425 -0.796
44 HG11 VAL 5 HG11 VAL 5 7.871 -3.240 -2.121
45 HG12 VAL 5 HG12 VAL 5 8.667 -4.355 -1.011
46 HG13 VAL 5 HG13 VAL 5 8.637 -2.628 -0.655
47 HG21 VAL 5 HG21 VAL 5 6.113 -4.227 1.627
48 HG22 VAL 5 HG22 VAL 5 7.572 -3.235 1.626
49 HG23 VAL 5 HG23 VAL 5 7.658 -4.927 1.137
50 H CYS 6 HN CYS 6 3.793 -3.089 -1.433
51 HA CYS 6 HA CYS 6 1.892 -2.440 0.504
52 HB2 CYS 6 HB2 CYS 6 1.439 -3.005 -1.888
53 HB3 CYS 6 HB1 CYS 6 1.753 -4.689 -1.506
54 H ILE 7 HN ILE 7 1.211 -3.404 2.281
55 HA ILE 7 HA ILE 7 2.831 -5.371 3.502
56 HB ILE 7 HB ILE 7 0.218 -4.102 4.357
57 HG12 ILE 7 HG12 ILE 7 1.787 -2.943 6.012
58 HG13 ILE 7 HG11 ILE 7 3.109 -3.525 5.008
59 HG21 ILE 7 HG21 ILE 7 0.700 -4.944 6.596
60 HG22 ILE 7 HG22 ILE 7 2.101 -5.809 5.965
61 HG23 ILE 7 HG23 ILE 7 0.477 -6.252 5.436
62 HD11 ILE 7 HD11 ILE 7 2.454 -1.188 4.552
63 HD12 ILE 7 HD12 ILE 7 0.872 -1.770 4.023
64 HD13 ILE 7 HD13 ILE 7 2.325 -2.241 3.141
65 H HIS 8 HN HIS 8 -0.065 -5.435 1.622
66 HA HIS 8 HA HIS 8 -0.861 -8.037 2.682
67 HB2 HIS 8 HB2 HIS 8 -2.592 -6.301 2.297
68 HB3 HIS 8 HB1 HIS 8 -2.218 -6.335 0.571
69 HD1 HIS 8 HD1 HIS 8 -4.328 -7.917 3.104
70 HD2 HIS 8 HD2 HIS 8 -2.885 -8.902 -0.670
71 HE1 HIS 8 HE1 HIS 8 -5.771 -9.809 2.294
72 HE2 HIS 8 HE2 HIS 8 -4.727 -10.529 0.116
73 H CYS 9 HN CYS 9 0.005 -6.617 -0.491
74 HA CYS 9 HA CYS 9 0.059 -9.363 -1.526
75 HB2 CYS 9 HB2 CYS 9 -0.618 -8.502 -3.622
76 HB3 CYS 9 HB1 CYS 9 -1.618 -7.701 -2.426
77 H GLN 10 HN GLN 10 2.075 -7.037 -0.494
78 HA GLN 10 HA GLN 10 4.309 -6.744 -0.540
79 HB2 GLN 10 HB2 GLN 10 4.192 -9.486 -1.798
80 HB3 GLN 10 HB1 GLN 10 5.686 -8.703 -1.278
81 HG2 GLN 10 HG2 GLN 10 4.915 -8.650 1.002
82 HG3 GLN 10 HG1 GLN 10 3.347 -9.293 0.524
83 HE21 GLN 10 HE21 GLN 10 6.369 -10.416 -0.831
84 HE22 GLN 10 HE22 GLN 10 6.329 -11.987 -0.085
85 H ARG 11 HN ARG 11 2.994 -5.451 -2.612
86 HA ARG 11 HA ARG 11 4.867 -5.683 -4.845
87 HB2 ARG 11 HB2 ARG 11 2.206 -4.277 -4.592
88 HB3 ARG 11 HB1 ARG 11 3.253 -4.148 -5.999
89 HG2 ARG 11 HG2 ARG 11 2.007 -6.688 -4.962
90 HG3 ARG 11 HG1 ARG 11 1.450 -5.759 -6.350
91 HD2 ARG 11 HD2 ARG 11 2.700 -7.565 -7.222
92 HD3 ARG 11 HD1 ARG 11 3.729 -6.143 -7.370
93 HE ARG 11 HE ARG 11 4.655 -7.075 -5.107
94 HH11 ARG 11 HH11 ARG 11 3.703 -8.922 -7.925
95 HH12 ARG 11 HH12 ARG 11 4.807 -10.225 -7.589
96 HH21 ARG 11 HH21 ARG 11 6.124 -8.750 -4.686
97 HH22 ARG 11 HH22 ARG 11 6.214 -10.115 -5.763
98 H GLN 12 HN GLN 12 6.138 -3.954 -5.464
99 HA GLN 12 HA GLN 12 6.878 -2.211 -3.307
100 HB2 GLN 12 HB2 GLN 12 7.927 -2.574 -6.108
101 HB3 GLN 12 HB1 GLN 12 8.598 -1.412 -4.978
102 HG2 GLN 12 HG2 GLN 12 9.154 -3.212 -3.439
103 HG3 GLN 12 HG1 GLN 12 8.462 -4.384 -4.556
104 HE21 GLN 12 HE21 GLN 12 10.230 -1.625 -5.692
105 HE22 GLN 12 HE22 GLN 12 11.647 -2.487 -6.213
106 H PHE 13 HN PHE 13 6.424 -0.151 -3.009
107 HA PHE 13 HA PHE 13 5.446 1.463 -5.258
108 HB2 PHE 13 HB2 PHE 13 4.270 1.341 -2.470
109 HB3 PHE 13 HB1 PHE 13 3.908 2.626 -3.630
110 HD1 PHE 13 HD1 PHE 13 2.693 2.111 -5.702
111 HD2 PHE 13 HD2 PHE 13 3.290 -0.817 -2.675
112 HE1 PHE 13 HE1 PHE 13 0.925 0.724 -6.702
113 HE2 PHE 13 HE2 PHE 13 1.526 -2.212 -3.671
114 HZ PHE 13 HZ PHE 13 0.341 -1.442 -5.688
115 H ALA 14 HN ALA 14 5.552 3.858 -4.668
116 HA ALA 14 HA ALA 14 8.328 4.245 -3.862
117 HB1 ALA 14 HB1 ALA 14 8.201 6.333 -5.053
118 HB2 ALA 14 HB2 ALA 14 6.456 6.165 -5.229
119 HB3 ALA 14 HB3 ALA 14 7.538 5.045 -6.059
120 H ASP 15 HN ASP 15 5.103 5.280 -2.930
121 HA ASP 15 HA ASP 15 6.317 6.930 -0.797
122 HB2 ASP 15 HB2 ASP 15 4.821 7.974 -2.797
123 HB3 ASP 15 HB1 ASP 15 3.555 7.510 -1.691
124 HA PRO 16 HA PRO 16 3.733 4.592 2.068
125 HB2 PRO 16 HB2 PRO 16 3.759 7.025 3.716
126 HB3 PRO 16 HB1 PRO 16 4.389 5.422 4.094
127 HG2 PRO 16 HG2 PRO 16 6.002 7.535 3.622
128 HG3 PRO 16 HG1 PRO 16 6.453 5.874 3.188
129 HD2 PRO 16 HD2 PRO 16 5.431 8.080 1.447
130 HD3 PRO 16 HD1 PRO 16 6.675 6.863 1.099
131 H GLY 17 HN GLY 17 3.254 7.800 0.859
132 HA2 GLY 17 HA2 GLY 17 0.548 8.219 1.447
133 HA3 GLY 17 HA1 GLY 17 1.428 8.867 0.055
134 H ALA 18 HN ALA 18 2.098 6.543 -1.260
135 HA ALA 18 HA ALA 18 -0.418 5.941 -2.485
136 HB1 ALA 18 HB1 ALA 18 1.562 6.158 -3.869
137 HB2 ALA 18 HB2 ALA 18 0.854 4.547 -4.019
138 HB3 ALA 18 HB3 ALA 18 2.302 4.788 -3.041
139 H LEU 19 HN LEU 19 1.663 4.369 -0.138
140 HA LEU 19 HA LEU 19 0.557 1.797 -0.453
141 HB2 LEU 19 HB2 LEU 19 2.121 3.171 1.683
142 HB3 LEU 19 HB1 LEU 19 1.269 1.688 2.094
143 HG LEU 19 HG LEU 19 3.506 2.052 0.116
144 HD11 LEU 19 HD11 LEU 19 3.132 0.368 2.590
145 HD12 LEU 19 HD12 LEU 19 4.188 1.770 2.412
146 HD13 LEU 19 HD13 LEU 19 4.529 0.288 1.517
147 HD21 LEU 19 HD21 LEU 19 1.711 -0.344 0.504
148 HD22 LEU 19 HD22 LEU 19 3.214 -0.342 -0.414
149 HD23 LEU 19 HD23 LEU 19 1.855 0.640 -0.952
150 H GLN 20 HN GLN 20 -0.270 4.637 1.417
151 HA GLN 20 HA GLN 20 -2.177 3.234 2.899
152 HB2 GLN 20 HB2 GLN 20 -2.751 5.278 3.972
153 HB3 GLN 20 HB1 GLN 20 -1.024 5.338 3.657
154 HG2 GLN 20 HG2 GLN 20 -1.390 6.730 1.724
155 HG3 GLN 20 HG1 GLN 20 -3.131 6.657 1.984
156 HE21 GLN 20 HE21 GLN 20 -0.112 7.952 3.125
157 HE22 GLN 20 HE22 GLN 20 -0.793 9.146 4.176
158 H ARG 21 HN ARG 21 -2.227 5.166 0.116
159 HA ARG 21 HA ARG 21 -5.049 5.213 -0.294
160 HB2 ARG 21 HB2 ARG 21 -3.026 6.529 -1.446
161 HB3 ARG 21 HB1 ARG 21 -3.157 5.224 -2.610
162 HG2 ARG 21 HG2 ARG 21 -5.468 6.980 -1.810
163 HG3 ARG 21 HG1 ARG 21 -4.432 7.282 -3.204
164 HD2 ARG 21 HD2 ARG 21 -5.184 5.397 -4.329
165 HD3 ARG 21 HD1 ARG 21 -5.773 4.633 -2.856
166 HE ARG 21 HE ARG 21 -7.083 7.003 -4.017
167 HH11 ARG 21 HH11 ARG 21 -7.177 3.780 -2.674
168 HH12 ARG 21 HH12 ARG 21 -8.916 3.653 -2.745
169 HH21 ARG 21 HH21 ARG 21 -9.374 6.864 -4.096
170 HH22 ARG 21 HH22 ARG 21 -10.151 5.405 -3.548
171 H HIS 22 HN HIS 22 -2.421 3.087 -1.026
172 HA HIS 22 HA HIS 22 -3.757 1.343 -2.825
173 HB2 HIS 22 HB2 HIS 22 -1.277 1.520 -2.488
174 HB3 HIS 22 HB1 HIS 22 -1.474 0.636 -0.991
175 HD1 HIS 22 HD1 HIS 22 -2.360 0.096 -4.673
176 HD2 HIS 22 HD2 HIS 22 -1.187 -1.959 -1.265
177 HE1 HIS 22 HE1 HIS 22 -2.116 -2.320 -5.360
178 H VAL 23 HN VAL 23 -3.328 1.333 0.677
179 HA VAL 23 HA VAL 23 -4.163 -1.324 0.919
180 HB VAL 23 HB VAL 23 -4.171 0.830 3.043
181 HG11 VAL 23 HG11 VAL 23 -5.676 -0.964 3.672
182 HG12 VAL 23 HG12 VAL 23 -4.207 -1.052 4.643
183 HG13 VAL 23 HG13 VAL 23 -4.442 -2.167 3.293
184 HG21 VAL 23 HG21 VAL 23 -2.070 -0.185 3.760
185 HG22 VAL 23 HG22 VAL 23 -1.959 0.354 2.080
186 HG23 VAL 23 HG23 VAL 23 -2.175 -1.359 2.448
187 H ARG 24 HN ARG 24 -5.869 1.767 1.050
188 HA ARG 24 HA ARG 24 -8.427 0.780 1.671
189 HB2 ARG 24 HB2 ARG 24 -7.795 3.101 -0.152
190 HB3 ARG 24 HB1 ARG 24 -9.263 2.851 0.785
191 HG2 ARG 24 HG2 ARG 24 -6.541 3.231 1.995
192 HG3 ARG 24 HG1 ARG 24 -7.691 4.529 1.727
193 HD2 ARG 24 HD2 ARG 24 -8.151 2.093 3.444
194 HD3 ARG 24 HD1 ARG 24 -7.755 3.705 4.036
195 HE ARG 24 HE ARG 24 -10.290 2.900 2.785
196 HH11 ARG 24 HH11 ARG 24 -8.393 5.229 4.579
197 HH12 ARG 24 HH12 ARG 24 -9.772 6.163 5.073
198 HH21 ARG 24 HH21 ARG 24 -12.124 4.091 3.498
199 HH22 ARG 24 HH22 ARG 24 -11.879 5.502 4.486
200 H ILE 25 HN ILE 25 -6.558 0.789 -1.266
201 HA ILE 25 HA ILE 25 -8.517 0.220 -3.173
202 HB ILE 25 HB ILE 25 -5.609 -0.541 -2.984
203 HG12 ILE 25 HG12 ILE 25 -6.254 1.871 -3.222
204 HG13 ILE 25 HG11 ILE 25 -5.220 1.264 -4.507
205 HG21 ILE 25 HG21 ILE 25 -6.550 -2.218 -4.358
206 HG22 ILE 25 HG22 ILE 25 -5.757 -1.055 -5.423
207 HG23 ILE 25 HG23 ILE 25 -7.511 -1.040 -5.248
208 HD11 ILE 25 HD11 ILE 25 -6.946 2.686 -5.410
209 HD12 ILE 25 HD12 ILE 25 -8.196 1.711 -4.643
210 HD13 ILE 25 HD13 ILE 25 -7.217 1.027 -5.938
211 H HIS 26 HN HIS 26 -6.489 -1.992 -1.243
212 HA HIS 26 HA HIS 26 -7.634 -4.388 -2.183
213 HB2 HIS 26 HB2 HIS 26 -6.099 -3.663 0.290
214 HB3 HIS 26 HB1 HIS 26 -6.828 -5.255 0.151
215 HD1 HIS 26 HD1 HIS 26 -6.136 -5.962 -2.773
216 HD2 HIS 26 HD2 HIS 26 -3.504 -4.156 -0.092
217 HE1 HIS 26 HE1 HIS 26 -3.775 -6.537 -3.565
218 H THR 27 HN THR 27 -8.649 -2.101 0.227
219 HA THR 27 HA THR 27 -10.372 -3.843 1.661
220 HB THR 27 HB THR 27 -10.857 -0.886 1.540
221 HG1 THR 27 HG1 THR 27 -8.468 -2.057 2.082
222 HG21 THR 27 HG21 THR 27 -11.227 -1.217 3.948
223 HG22 THR 27 HG22 THR 27 -10.827 -2.926 3.764
224 HG23 THR 27 HG23 THR 27 -12.262 -2.266 2.981
225 H GLY 28 HN GLY 28 -10.685 -2.005 -1.271
226 HA2 GLY 28 HA2 GLY 28 -12.233 -2.404 -2.957
227 HA3 GLY 28 HA1 GLY 28 -13.131 -3.429 -1.851
228 H GLU 29 HN GLU 29 -12.821 -0.856 -0.026
229 HA GLU 29 HA GLU 29 -15.482 0.001 -0.515
230 HB2 GLU 29 HB2 GLU 29 -15.069 1.581 1.358
231 HB3 GLU 29 HB1 GLU 29 -14.745 -0.104 1.744
232 HG2 GLU 29 HG2 GLU 29 -12.412 0.223 1.577
233 HG3 GLU 29 HG1 GLU 29 -12.625 1.840 0.911
234 H LYS 30 HN LYS 30 -12.325 1.281 -1.273
235 HA LYS 30 HA LYS 30 -13.555 3.214 -3.033
236 HB2 LYS 30 HB2 LYS 30 -13.373 4.383 -0.820
237 HB3 LYS 30 HB1 LYS 30 -11.630 4.161 -0.900
238 HG2 LYS 30 HG2 LYS 30 -12.222 6.397 -1.600
239 HG3 LYS 30 HG1 LYS 30 -11.567 5.489 -2.964
240 HD2 LYS 30 HD2 LYS 30 -13.871 5.027 -3.723
241 HD3 LYS 30 HD1 LYS 30 -14.485 6.012 -2.394
242 HE2 LYS 30 HE2 LYS 30 -13.284 7.952 -3.291
243 HE3 LYS 30 HE1 LYS 30 -12.691 6.964 -4.625
244 HZ1 LYS 30 HZ1 LYS 30 -14.606 8.260 -5.299
245 HZ2 LYS 30 HZ2 LYS 30 -15.538 7.591 -4.051
246 HZ3 LYS 30 HZ3 LYS 30 -14.986 6.606 -5.321
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 16.155 -0.306 1.273
2 H2 MET 1 HT2 MET 1 15.867 -0.113 -0.389
3 H3 MET 1 HT3 MET 1 15.952 -1.664 0.279
4 HA MET 1 HA MET 1 13.686 -0.958 -0.214
5 HB2 MET 1 HB2 MET 1 12.732 -1.592 1.979
6 HB3 MET 1 HB1 MET 1 14.042 -2.651 1.482
7 HG2 MET 1 HG2 MET 1 15.563 -1.526 2.993
8 HG3 MET 1 HG1 MET 1 14.294 -0.394 3.456
9 HE1 MET 1 HE1 MET 1 14.634 -0.900 6.010
10 HE2 MET 1 HE2 MET 1 15.950 -2.004 5.614
11 HE3 MET 1 HE3 MET 1 14.662 -2.526 6.698
12 H LYS 2 HN LYS 2 14.615 1.494 -0.574
13 HA LYS 2 HA LYS 2 13.819 3.375 1.395
14 HB2 LYS 2 HB2 LYS 2 14.444 3.561 -1.529
15 HB3 LYS 2 HB1 LYS 2 13.683 4.925 -0.725
16 HG2 LYS 2 HG2 LYS 2 16.054 5.251 -0.785
17 HG3 LYS 2 HG1 LYS 2 15.549 4.981 0.883
18 HD2 LYS 2 HD2 LYS 2 16.233 2.609 0.646
19 HD3 LYS 2 HD1 LYS 2 16.848 2.982 -0.965
20 HE2 LYS 2 HE2 LYS 2 18.636 2.995 0.702
21 HE3 LYS 2 HE1 LYS 2 18.406 4.594 -0.007
22 HZ1 LYS 2 HZ1 LYS 2 17.285 5.332 1.928
23 HZ2 LYS 2 HZ2 LYS 2 18.700 4.560 2.454
24 HZ3 LYS 2 HZ3 LYS 2 17.202 3.772 2.578
25 HA PRO 3 HA PRO 3 9.632 3.492 -1.202
26 HB2 PRO 3 HB2 PRO 3 9.844 0.735 -2.308
27 HB3 PRO 3 HB1 PRO 3 9.097 2.182 -3.009
28 HG2 PRO 3 HG2 PRO 3 11.411 1.361 -3.922
29 HG3 PRO 3 HG1 PRO 3 11.137 3.088 -3.616
30 HD2 PRO 3 HD2 PRO 3 12.618 1.089 -1.927
31 HD3 PRO 3 HD1 PRO 3 13.086 2.747 -2.370
32 H TYR 4 HN TYR 4 7.670 2.193 -0.913
33 HA TYR 4 HA TYR 4 7.883 0.583 1.536
34 HB2 TYR 4 HB2 TYR 4 5.846 2.680 0.749
35 HB3 TYR 4 HB1 TYR 4 5.564 1.499 2.039
36 HD1 TYR 4 HD1 TYR 4 7.528 4.448 1.053
37 HD2 TYR 4 HD2 TYR 4 6.784 1.593 4.120
38 HE1 TYR 4 HE1 TYR 4 8.772 5.843 2.652
39 HE2 TYR 4 HE2 TYR 4 8.020 2.983 5.721
40 HH TYR 4 HH TYR 4 9.777 4.715 5.675
41 H VAL 5 HN VAL 5 7.051 -1.369 1.436
42 HA VAL 5 HA VAL 5 5.831 -2.156 -1.088
43 HB VAL 5 HB VAL 5 6.472 -4.362 -0.622
44 HG11 VAL 5 HG11 VAL 5 8.665 -2.657 0.528
45 HG12 VAL 5 HG12 VAL 5 8.310 -2.817 -1.191
46 HG13 VAL 5 HG13 VAL 5 8.845 -4.221 -0.267
47 HG21 VAL 5 HG21 VAL 5 7.361 -5.120 1.546
48 HG22 VAL 5 HG22 VAL 5 5.691 -4.559 1.666
49 HG23 VAL 5 HG23 VAL 5 7.011 -3.528 2.223
50 H CYS 6 HN CYS 6 3.932 -3.318 -1.235
51 HA CYS 6 HA CYS 6 1.924 -2.737 0.689
52 HB2 CYS 6 HB2 CYS 6 1.460 -3.011 -1.737
53 HB3 CYS 6 HB1 CYS 6 1.813 -4.728 -1.587
54 H ILE 7 HN ILE 7 1.254 -3.855 2.368
55 HA ILE 7 HA ILE 7 2.759 -6.045 3.338
56 HB ILE 7 HB ILE 7 0.187 -4.787 4.324
57 HG12 ILE 7 HG12 ILE 7 1.760 -3.893 6.128
58 HG13 ILE 7 HG11 ILE 7 3.083 -4.373 5.074
59 HG21 ILE 7 HG21 ILE 7 0.580 -5.915 6.427
60 HG22 ILE 7 HG22 ILE 7 2.002 -6.708 5.751
61 HG23 ILE 7 HG23 ILE 7 0.401 -7.073 5.110
62 HD11 ILE 7 HD11 ILE 7 0.905 -2.450 4.291
63 HD12 ILE 7 HD12 ILE 7 2.374 -2.828 3.388
64 HD13 ILE 7 HD13 ILE 7 2.478 -1.977 4.931
65 H HIS 8 HN HIS 8 -0.154 -5.720 1.484
66 HA HIS 8 HA HIS 8 -1.150 -8.322 2.330
67 HB2 HIS 8 HB2 HIS 8 -2.615 -6.247 2.024
68 HB3 HIS 8 HB1 HIS 8 -2.430 -6.513 0.287
69 HD1 HIS 8 HD1 HIS 8 -4.883 -6.957 2.627
70 HD2 HIS 8 HD2 HIS 8 -3.133 -9.599 -0.068
71 HE1 HIS 8 HE1 HIS 8 -6.547 -8.819 2.322
72 HE2 HIS 8 HE2 HIS 8 -5.413 -10.479 0.799
73 H CYS 9 HN CYS 9 0.063 -6.779 -0.669
74 HA CYS 9 HA CYS 9 -0.150 -9.443 -1.892
75 HB2 CYS 9 HB2 CYS 9 -0.807 -8.455 -3.928
76 HB3 CYS 9 HB1 CYS 9 -1.784 -7.705 -2.680
77 H GLN 10 HN GLN 10 1.994 -7.223 -0.828
78 HA GLN 10 HA GLN 10 4.242 -7.096 -0.892
79 HB2 GLN 10 HB2 GLN 10 4.071 -9.613 -2.556
80 HB3 GLN 10 HB1 GLN 10 5.515 -9.002 -1.740
81 HG2 GLN 10 HG2 GLN 10 4.435 -9.300 0.420
82 HG3 GLN 10 HG1 GLN 10 2.972 -9.879 -0.377
83 HE21 GLN 10 HE21 GLN 10 6.205 -10.635 0.600
84 HE22 GLN 10 HE22 GLN 10 6.125 -12.341 0.238
85 H ARG 11 HN ARG 11 3.271 -5.308 -2.463
86 HA ARG 11 HA ARG 11 4.893 -5.375 -4.913
87 HB2 ARG 11 HB2 ARG 11 2.192 -4.173 -4.335
88 HB3 ARG 11 HB1 ARG 11 3.197 -3.563 -5.639
89 HG2 ARG 11 HG2 ARG 11 2.581 -6.475 -5.511
90 HG3 ARG 11 HG1 ARG 11 1.353 -5.349 -6.092
91 HD2 ARG 11 HD2 ARG 11 2.412 -5.938 -8.050
92 HD3 ARG 11 HD1 ARG 11 3.265 -4.462 -7.612
93 HE ARG 11 HE ARG 11 4.393 -7.077 -6.888
94 HH11 ARG 11 HH11 ARG 11 4.663 -3.989 -8.510
95 HH12 ARG 11 HH12 ARG 11 6.245 -4.323 -9.154
96 HH21 ARG 11 HH21 ARG 11 6.462 -7.529 -7.721
97 HH22 ARG 11 HH22 ARG 11 7.266 -6.340 -8.701
98 H GLN 12 HN GLN 12 6.439 -3.770 -5.028
99 HA GLN 12 HA GLN 12 6.733 -1.971 -2.814
100 HB2 GLN 12 HB2 GLN 12 8.279 -2.099 -5.406
101 HB3 GLN 12 HB1 GLN 12 8.730 -1.173 -3.991
102 HG2 GLN 12 HG2 GLN 12 8.695 -3.469 -2.791
103 HG3 GLN 12 HG1 GLN 12 8.816 -4.116 -4.425
104 HE21 GLN 12 HE21 GLN 12 10.689 -3.707 -5.642
105 HE22 GLN 12 HE22 GLN 12 12.162 -3.164 -4.890
106 H PHE 13 HN PHE 13 6.069 0.074 -2.628
107 HA PHE 13 HA PHE 13 5.414 1.548 -5.094
108 HB2 PHE 13 HB2 PHE 13 3.900 1.458 -2.491
109 HB3 PHE 13 HB1 PHE 13 3.715 2.795 -3.634
110 HD1 PHE 13 HD1 PHE 13 2.649 2.476 -5.764
111 HD2 PHE 13 HD2 PHE 13 3.089 -0.759 -3.036
112 HE1 PHE 13 HE1 PHE 13 1.035 1.161 -7.073
113 HE2 PHE 13 HE2 PHE 13 1.477 -2.081 -4.342
114 HZ PHE 13 HZ PHE 13 0.450 -1.123 -6.362
115 H ALA 14 HN ALA 14 5.744 3.841 -4.995
116 HA ALA 14 HA ALA 14 8.369 4.226 -3.912
117 HB1 ALA 14 HB1 ALA 14 7.718 4.905 -6.183
118 HB2 ALA 14 HB2 ALA 14 8.419 6.221 -5.239
119 HB3 ALA 14 HB3 ALA 14 6.673 6.144 -5.482
120 H ASP 15 HN ASP 15 5.307 4.950 -2.641
121 HA ASP 15 HA ASP 15 6.470 6.953 -0.841
122 HB2 ASP 15 HB2 ASP 15 5.129 7.926 -2.929
123 HB3 ASP 15 HB1 ASP 15 3.758 7.504 -1.936
124 HA PRO 16 HA PRO 16 3.751 4.973 2.165
125 HB2 PRO 16 HB2 PRO 16 3.684 7.599 3.502
126 HB3 PRO 16 HB1 PRO 16 4.276 6.053 4.115
127 HG2 PRO 16 HG2 PRO 16 5.937 8.075 3.481
128 HG3 PRO 16 HG1 PRO 16 6.391 6.374 3.253
129 HD2 PRO 16 HD2 PRO 16 5.459 8.382 1.238
130 HD3 PRO 16 HD1 PRO 16 6.718 7.139 1.082
131 H GLY 17 HN GLY 17 3.280 8.000 0.553
132 HA2 GLY 17 HA2 GLY 17 0.557 8.469 0.942
133 HA3 GLY 17 HA1 GLY 17 1.481 8.874 -0.507
134 H ALA 18 HN ALA 18 2.157 6.605 -1.616
135 HA ALA 18 HA ALA 18 -0.243 5.725 -2.801
136 HB1 ALA 18 HB1 ALA 18 2.508 4.517 -2.945
137 HB2 ALA 18 HB2 ALA 18 1.809 5.694 -4.063
138 HB3 ALA 18 HB3 ALA 18 1.136 4.062 -3.957
139 H LEU 19 HN LEU 19 1.555 4.560 -0.039
140 HA LEU 19 HA LEU 19 0.478 1.937 -0.107
141 HB2 LEU 19 HB2 LEU 19 2.133 3.518 1.743
142 HB3 LEU 19 HB1 LEU 19 1.064 2.360 2.529
143 HG LEU 19 HG LEU 19 3.314 1.446 2.132
144 HD11 LEU 19 HD11 LEU 19 2.603 -0.650 1.084
145 HD12 LEU 19 HD12 LEU 19 1.131 0.137 0.516
146 HD13 LEU 19 HD13 LEU 19 1.412 -0.061 2.246
147 HD21 LEU 19 HD21 LEU 19 2.628 1.674 -0.795
148 HD22 LEU 19 HD22 LEU 19 4.091 0.969 -0.098
149 HD23 LEU 19 HD23 LEU 19 3.783 2.699 0.057
150 H GLN 20 HN GLN 20 -0.453 5.013 1.245
151 HA GLN 20 HA GLN 20 -2.537 3.887 2.739
152 HB2 GLN 20 HB2 GLN 20 -2.100 6.728 1.877
153 HB3 GLN 20 HB1 GLN 20 -3.393 6.236 2.960
154 HG2 GLN 20 HG2 GLN 20 -1.735 5.446 4.570
155 HG3 GLN 20 HG1 GLN 20 -0.443 5.960 3.485
156 HE21 GLN 20 HE21 GLN 20 0.387 7.393 5.004
157 HE22 GLN 20 HE22 GLN 20 -0.397 8.888 5.389
158 H ARG 21 HN ARG 21 -2.299 5.380 -0.337
159 HA ARG 21 HA ARG 21 -5.020 5.255 -1.100
160 HB2 ARG 21 HB2 ARG 21 -2.414 5.500 -2.488
161 HB3 ARG 21 HB1 ARG 21 -3.721 4.837 -3.447
162 HG2 ARG 21 HG2 ARG 21 -3.818 7.088 -3.928
163 HG3 ARG 21 HG1 ARG 21 -5.041 6.912 -2.674
164 HD2 ARG 21 HD2 ARG 21 -2.223 7.685 -2.000
165 HD3 ARG 21 HD1 ARG 21 -3.392 8.887 -2.536
166 HE ARG 21 HE ARG 21 -4.643 7.564 -0.492
167 HH11 ARG 21 HH11 ARG 21 -1.636 9.323 -0.861
168 HH12 ARG 21 HH12 ARG 21 -1.600 9.858 0.797
169 HH21 ARG 21 HH21 ARG 21 -4.624 8.284 1.658
170 HH22 ARG 21 HH22 ARG 21 -3.304 9.263 2.231
171 H HIS 22 HN HIS 22 -2.371 3.008 -1.097
172 HA HIS 22 HA HIS 22 -3.583 1.115 -2.871
173 HB2 HIS 22 HB2 HIS 22 -1.106 1.474 -2.475
174 HB3 HIS 22 HB1 HIS 22 -1.307 0.585 -0.977
175 HD1 HIS 22 HD1 HIS 22 -2.005 0.025 -4.691
176 HD2 HIS 22 HD2 HIS 22 -0.957 -2.015 -1.227
177 HE1 HIS 22 HE1 HIS 22 -1.625 -2.378 -5.369
178 H VAL 23 HN VAL 23 -3.028 1.246 0.626
179 HA VAL 23 HA VAL 23 -3.859 -1.407 0.967
180 HB VAL 23 HB VAL 23 -3.618 0.788 3.032
181 HG11 VAL 23 HG11 VAL 23 -4.058 -2.178 3.408
182 HG12 VAL 23 HG12 VAL 23 -5.168 -0.882 3.860
183 HG13 VAL 23 HG13 VAL 23 -3.622 -1.049 4.694
184 HG21 VAL 23 HG21 VAL 23 -1.813 -1.537 2.345
185 HG22 VAL 23 HG22 VAL 23 -1.543 -0.366 3.635
186 HG23 VAL 23 HG23 VAL 23 -1.515 0.157 1.951
187 H ARG 24 HN ARG 24 -5.565 1.682 1.074
188 HA ARG 24 HA ARG 24 -7.998 0.497 2.030
189 HB2 ARG 24 HB2 ARG 24 -9.068 2.606 1.572
190 HB3 ARG 24 HB1 ARG 24 -7.534 2.889 2.376
191 HG2 ARG 24 HG2 ARG 24 -6.524 3.631 0.361
192 HG3 ARG 24 HG1 ARG 24 -7.908 3.098 -0.597
193 HD2 ARG 24 HD2 ARG 24 -7.896 5.534 -0.228
194 HD3 ARG 24 HD1 ARG 24 -9.323 4.752 0.452
195 HE ARG 24 HE ARG 24 -7.010 5.420 2.151
196 HH11 ARG 24 HH11 ARG 24 -10.418 5.659 1.398
197 HH12 ARG 24 HH12 ARG 24 -10.810 6.510 2.862
198 HH21 ARG 24 HH21 ARG 24 -7.516 6.534 4.073
199 HH22 ARG 24 HH22 ARG 24 -9.157 7.014 4.385
200 H ILE 25 HN ILE 25 -6.415 0.524 -0.966
201 HA ILE 25 HA ILE 25 -8.682 0.145 -2.642
202 HB ILE 25 HB ILE 25 -5.758 -0.495 -2.935
203 HG12 ILE 25 HG12 ILE 25 -6.341 1.800 -3.279
204 HG13 ILE 25 HG11 ILE 25 -5.967 1.096 -4.839
205 HG21 ILE 25 HG21 ILE 25 -6.857 -2.317 -4.030
206 HG22 ILE 25 HG22 ILE 25 -6.199 -1.209 -5.237
207 HG23 ILE 25 HG23 ILE 25 -7.924 -1.200 -4.884
208 HD11 ILE 25 HD11 ILE 25 -7.881 2.561 -4.995
209 HD12 ILE 25 HD12 ILE 25 -8.716 1.641 -3.742
210 HD13 ILE 25 HD13 ILE 25 -8.363 0.894 -5.301
211 H HIS 26 HN HIS 26 -6.462 -2.072 -0.938
212 HA HIS 26 HA HIS 26 -7.762 -4.461 -1.739
213 HB2 HIS 26 HB2 HIS 26 -5.971 -3.814 0.595
214 HB3 HIS 26 HB1 HIS 26 -6.698 -5.402 0.409
215 HD1 HIS 26 HD1 HIS 26 -6.189 -6.009 -2.556
216 HD2 HIS 26 HD2 HIS 26 -3.430 -4.196 -0.017
217 HE1 HIS 26 HE1 HIS 26 -3.878 -6.478 -3.534
218 H THR 27 HN THR 27 -7.970 -2.517 1.229
219 HA THR 27 HA THR 27 -10.206 -4.121 2.134
220 HB THR 27 HB THR 27 -8.403 -3.413 3.723
221 HG1 THR 27 HG1 THR 27 -10.305 -4.030 4.656
222 HG21 THR 27 HG21 THR 27 -9.688 -0.695 3.471
223 HG22 THR 27 HG22 THR 27 -8.056 -1.120 2.938
224 HG23 THR 27 HG23 THR 27 -8.464 -1.155 4.656
225 H GLY 28 HN GLY 28 -10.968 -3.045 -0.130
226 HA2 GLY 28 HA2 GLY 28 -12.300 -0.538 0.063
227 HA3 GLY 28 HA1 GLY 28 -12.618 -1.791 -1.132
228 H GLU 29 HN GLU 29 -12.985 -1.377 2.357
229 HA GLU 29 HA GLU 29 -15.333 -2.995 2.475
230 HB2 GLU 29 HB2 GLU 29 -13.813 -1.332 4.470
231 HB3 GLU 29 HB1 GLU 29 -15.239 -2.253 4.890
232 HG2 GLU 29 HG2 GLU 29 -12.621 -3.312 3.883
233 HG3 GLU 29 HG1 GLU 29 -13.331 -3.537 5.480
234 H LYS 30 HN LYS 30 -14.576 0.429 2.707
235 HA LYS 30 HA LYS 30 -17.382 1.004 2.154
236 HB2 LYS 30 HB2 LYS 30 -17.022 1.269 4.603
237 HB3 LYS 30 HB1 LYS 30 -15.785 2.473 4.260
238 HG2 LYS 30 HG2 LYS 30 -17.956 3.467 4.855
239 HG3 LYS 30 HG1 LYS 30 -17.414 3.925 3.239
240 HD2 LYS 30 HD2 LYS 30 -18.842 2.058 2.348
241 HD3 LYS 30 HD1 LYS 30 -19.507 1.886 3.973
242 HE2 LYS 30 HE2 LYS 30 -19.573 4.417 2.338
243 HE3 LYS 30 HE1 LYS 30 -20.906 3.270 2.472
244 HZ1 LYS 30 HZ1 LYS 30 -20.958 3.687 4.860
245 HZ2 LYS 30 HZ2 LYS 30 -21.207 5.109 3.977
246 HZ3 LYS 30 HZ3 LYS 30 -19.703 4.818 4.708
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 17.893 3.105 1.728
2 H2 MET 1 HT2 MET 1 16.889 4.444 1.992
3 H3 MET 1 HT3 MET 1 18.263 4.599 1.018
4 HA MET 1 HA MET 1 16.255 4.495 -0.309
5 HB2 MET 1 HB2 MET 1 18.047 2.068 -0.520
6 HB3 MET 1 HB1 MET 1 16.932 2.594 -1.772
7 HG2 MET 1 HG2 MET 1 18.158 4.662 -2.036
8 HG3 MET 1 HG1 MET 1 19.245 4.207 -0.723
9 HE1 MET 1 HE1 MET 1 20.225 5.102 -3.658
10 HE2 MET 1 HE2 MET 1 21.542 3.948 -3.874
11 HE3 MET 1 HE3 MET 1 21.284 4.712 -2.304
12 H LYS 2 HN LYS 2 14.921 3.966 1.865
13 HA LYS 2 HA LYS 2 13.953 1.220 1.868
14 HB2 LYS 2 HB2 LYS 2 14.329 2.242 4.026
15 HB3 LYS 2 HB1 LYS 2 13.314 3.611 3.606
16 HG2 LYS 2 HG2 LYS 2 12.148 2.131 5.110
17 HG3 LYS 2 HG1 LYS 2 11.361 2.128 3.530
18 HD2 LYS 2 HD2 LYS 2 12.464 0.027 2.974
19 HD3 LYS 2 HD1 LYS 2 13.297 0.041 4.530
20 HE2 LYS 2 HE2 LYS 2 11.130 -0.055 5.680
21 HE3 LYS 2 HE1 LYS 2 10.310 -0.096 4.120
22 HZ1 LYS 2 HZ1 LYS 2 10.573 -2.299 5.143
23 HZ2 LYS 2 HZ2 LYS 2 12.259 -2.131 5.047
24 HZ3 LYS 2 HZ3 LYS 2 11.332 -2.192 3.627
25 HA PRO 3 HA PRO 3 10.523 2.608 -0.708
26 HB2 PRO 3 HB2 PRO 3 9.855 0.220 -1.672
27 HB3 PRO 3 HB1 PRO 3 11.340 1.025 -2.219
28 HG2 PRO 3 HG2 PRO 3 11.001 -1.175 -0.215
29 HG3 PRO 3 HG1 PRO 3 12.218 -0.994 -1.488
30 HD2 PRO 3 HD2 PRO 3 12.614 -0.340 1.169
31 HD3 PRO 3 HD1 PRO 3 13.550 0.328 -0.183
32 H TYR 4 HN TYR 4 8.215 1.768 -0.831
33 HA TYR 4 HA TYR 4 7.405 0.724 1.785
34 HB2 TYR 4 HB2 TYR 4 5.968 2.802 0.095
35 HB3 TYR 4 HB1 TYR 4 5.392 2.121 1.618
36 HD1 TYR 4 HD2 TYR 4 6.414 2.728 3.739
37 HD2 TYR 4 HD1 TYR 4 7.830 4.367 0.083
38 HE1 TYR 4 HE2 TYR 4 7.602 4.475 4.990
39 HE2 TYR 4 HE1 TYR 4 9.020 6.127 1.322
40 HH TYR 4 HH TYR 4 9.509 5.995 4.683
41 H VAL 5 HN VAL 5 6.571 -1.207 1.619
42 HA VAL 5 HA VAL 5 5.647 -2.076 -1.021
43 HB VAL 5 HB VAL 5 6.253 -4.333 -0.349
44 HG11 VAL 5 HG11 VAL 5 8.686 -4.066 -0.254
45 HG12 VAL 5 HG12 VAL 5 8.476 -2.362 0.147
46 HG13 VAL 5 HG13 VAL 5 7.954 -2.969 -1.424
47 HG21 VAL 5 HG21 VAL 5 7.470 -4.759 1.741
48 HG22 VAL 5 HG22 VAL 5 5.821 -4.210 2.035
49 HG23 VAL 5 HG23 VAL 5 7.171 -3.095 2.239
50 H CYS 6 HN CYS 6 3.697 -3.009 -1.284
51 HA CYS 6 HA CYS 6 1.682 -2.690 0.654
52 HB2 CYS 6 HB2 CYS 6 1.251 -2.913 -1.804
53 HB3 CYS 6 HB1 CYS 6 1.632 -4.627 -1.670
54 H ILE 7 HN ILE 7 1.230 -3.849 2.366
55 HA ILE 7 HA ILE 7 2.821 -6.060 3.120
56 HB ILE 7 HB ILE 7 0.307 -4.929 4.374
57 HG12 ILE 7 HG12 ILE 7 2.054 -4.040 6.062
58 HG13 ILE 7 HG11 ILE 7 3.228 -4.326 4.783
59 HG21 ILE 7 HG21 ILE 7 2.357 -6.808 5.506
60 HG22 ILE 7 HG22 ILE 7 0.692 -7.198 5.082
61 HG23 ILE 7 HG23 ILE 7 1.025 -6.081 6.405
62 HD11 ILE 7 HD11 ILE 7 2.351 -1.985 4.966
63 HD12 ILE 7 HD12 ILE 7 0.792 -2.608 4.419
64 HD13 ILE 7 HD13 ILE 7 2.207 -2.725 3.373
65 H HIS 8 HN HIS 8 -0.170 -5.673 1.451
66 HA HIS 8 HA HIS 8 -1.162 -8.263 2.327
67 HB2 HIS 8 HB2 HIS 8 -2.526 -6.028 2.042
68 HB3 HIS 8 HB1 HIS 8 -2.645 -6.572 0.361
69 HD1 HIS 8 HD1 HIS 8 -4.975 -6.403 2.642
70 HD2 HIS 8 HD2 HIS 8 -3.105 -9.808 1.139
71 HE1 HIS 8 HE1 HIS 8 -6.574 -8.304 3.051
72 HE2 HIS 8 HE2 HIS 8 -5.339 -10.370 2.308
73 H CYS 9 HN CYS 9 -0.149 -6.697 -0.736
74 HA CYS 9 HA CYS 9 -0.391 -9.364 -1.937
75 HB2 CYS 9 HB2 CYS 9 -1.014 -8.383 -3.998
76 HB3 CYS 9 HB1 CYS 9 -2.001 -7.627 -2.760
77 H GLN 10 HN GLN 10 1.779 -7.123 -0.935
78 HA GLN 10 HA GLN 10 4.017 -6.956 -1.050
79 HB2 GLN 10 HB2 GLN 10 3.816 -9.535 -2.606
80 HB3 GLN 10 HB1 GLN 10 5.314 -8.843 -1.980
81 HG2 GLN 10 HG2 GLN 10 4.433 -9.035 0.299
82 HG3 GLN 10 HG1 GLN 10 2.958 -9.758 -0.343
83 HE21 GLN 10 HE21 GLN 10 6.123 -10.392 -1.671
84 HE22 GLN 10 HE22 GLN 10 6.223 -12.050 -1.148
85 H ARG 11 HN ARG 11 3.637 -5.049 -2.352
86 HA ARG 11 HA ARG 11 5.072 -5.270 -4.879
87 HB2 ARG 11 HB2 ARG 11 2.551 -3.692 -4.351
88 HB3 ARG 11 HB1 ARG 11 3.593 -3.435 -5.740
89 HG2 ARG 11 HG2 ARG 11 3.178 -5.788 -6.420
90 HG3 ARG 11 HG1 ARG 11 2.037 -5.921 -5.078
91 HD2 ARG 11 HD2 ARG 11 0.806 -3.972 -6.048
92 HD3 ARG 11 HD1 ARG 11 1.863 -4.078 -7.453
93 HE ARG 11 HE ARG 11 0.617 -6.577 -6.915
94 HH11 ARG 11 HH11 ARG 11 0.104 -3.422 -8.343
95 HH12 ARG 11 HH12 ARG 11 -1.265 -3.932 -9.292
96 HH21 ARG 11 HH21 ARG 11 -1.138 -7.266 -8.189
97 HH22 ARG 11 HH22 ARG 11 -1.965 -6.135 -9.216
98 H GLN 12 HN GLN 12 6.685 -3.751 -5.045
99 HA GLN 12 HA GLN 12 7.110 -2.057 -2.733
100 HB2 GLN 12 HB2 GLN 12 8.873 -2.328 -5.160
101 HB3 GLN 12 HB1 GLN 12 9.315 -1.724 -3.579
102 HG2 GLN 12 HG2 GLN 12 8.828 -4.017 -2.680
103 HG3 GLN 12 HG1 GLN 12 8.710 -4.552 -4.356
104 HE21 GLN 12 HE21 GLN 12 10.573 -4.480 -5.672
105 HE22 GLN 12 HE22 GLN 12 12.167 -4.428 -4.967
106 H PHE 13 HN PHE 13 6.199 -0.102 -2.702
107 HA PHE 13 HA PHE 13 6.128 1.464 -5.202
108 HB2 PHE 13 HB2 PHE 13 4.486 1.798 -2.674
109 HB3 PHE 13 HB1 PHE 13 4.406 2.856 -4.086
110 HD1 PHE 13 HD1 PHE 13 3.507 2.013 -6.211
111 HD2 PHE 13 HD2 PHE 13 3.387 -0.307 -2.647
112 HE1 PHE 13 HE1 PHE 13 1.806 0.555 -7.224
113 HE2 PHE 13 HE2 PHE 13 1.687 -1.770 -3.653
114 HZ PHE 13 HZ PHE 13 0.897 -1.340 -5.946
115 H ALA 14 HN ALA 14 6.355 3.860 -4.841
116 HA ALA 14 HA ALA 14 8.889 4.274 -3.507
117 HB1 ALA 14 HB1 ALA 14 9.023 6.294 -4.722
118 HB2 ALA 14 HB2 ALA 14 7.282 6.329 -4.998
119 HB3 ALA 14 HB3 ALA 14 8.284 5.124 -5.820
120 H ASP 15 HN ASP 15 5.563 5.325 -3.118
121 HA ASP 15 HA ASP 15 6.439 7.169 -1.000
122 HB2 ASP 15 HB2 ASP 15 4.120 7.463 -2.920
123 HB3 ASP 15 HB1 ASP 15 4.497 8.564 -1.612
124 HA PRO 16 HA PRO 16 3.711 5.023 1.790
125 HB2 PRO 16 HB2 PRO 16 3.540 7.572 3.247
126 HB3 PRO 16 HB1 PRO 16 4.198 6.021 3.778
127 HG2 PRO 16 HG2 PRO 16 5.776 8.139 3.248
128 HG3 PRO 16 HG1 PRO 16 6.293 6.471 2.944
129 HD2 PRO 16 HD2 PRO 16 5.304 8.534 1.012
130 HD3 PRO 16 HD1 PRO 16 6.612 7.338 0.826
131 H GLY 17 HN GLY 17 3.043 8.140 0.354
132 HA2 GLY 17 HA2 GLY 17 0.316 8.384 1.013
133 HA3 GLY 17 HA1 GLY 17 1.100 9.101 -0.390
134 H ALA 18 HN ALA 18 1.958 6.567 -1.509
135 HA ALA 18 HA ALA 18 -0.519 5.849 -2.788
136 HB1 ALA 18 HB1 ALA 18 1.453 5.963 -4.173
137 HB2 ALA 18 HB2 ALA 18 0.848 4.305 -4.126
138 HB3 ALA 18 HB3 ALA 18 2.261 4.755 -3.172
139 H LEU 19 HN LEU 19 1.549 4.521 -0.289
140 HA LEU 19 HA LEU 19 0.495 1.901 -0.414
141 HB2 LEU 19 HB2 LEU 19 2.258 3.421 1.382
142 HB3 LEU 19 HB1 LEU 19 1.278 2.203 2.193
143 HG LEU 19 HG LEU 19 3.499 1.356 1.562
144 HD11 LEU 19 HD11 LEU 19 2.733 -0.691 0.470
145 HD12 LEU 19 HD12 LEU 19 1.222 0.107 0.028
146 HD13 LEU 19 HD13 LEU 19 1.605 -0.178 1.727
147 HD21 LEU 19 HD21 LEU 19 4.074 1.012 -0.755
148 HD22 LEU 19 HD22 LEU 19 3.788 2.730 -0.457
149 HD23 LEU 19 HD23 LEU 19 2.559 1.759 -1.270
150 H GLN 20 HN GLN 20 -0.404 4.878 1.163
151 HA GLN 20 HA GLN 20 -2.266 3.580 2.806
152 HB2 GLN 20 HB2 GLN 20 -2.952 5.733 3.601
153 HB3 GLN 20 HB1 GLN 20 -1.213 5.767 3.379
154 HG2 GLN 20 HG2 GLN 20 -1.542 6.872 1.206
155 HG3 GLN 20 HG1 GLN 20 -3.271 6.931 1.540
156 HE21 GLN 20 HE21 GLN 20 -2.853 7.428 4.399
157 HE22 GLN 20 HE22 GLN 20 -2.361 9.090 4.517
158 H ARG 21 HN ARG 21 -2.366 5.213 -0.172
159 HA ARG 21 HA ARG 21 -5.176 5.076 -0.603
160 HB2 ARG 21 HB2 ARG 21 -3.177 6.345 -1.868
161 HB3 ARG 21 HB1 ARG 21 -3.290 4.937 -2.906
162 HG2 ARG 21 HG2 ARG 21 -5.641 6.692 -2.250
163 HG3 ARG 21 HG1 ARG 21 -4.607 6.931 -3.656
164 HD2 ARG 21 HD2 ARG 21 -5.183 4.715 -4.477
165 HD3 ARG 21 HD1 ARG 21 -6.173 4.426 -3.045
166 HE ARG 21 HE ARG 21 -7.214 6.707 -4.128
167 HH11 ARG 21 HH11 ARG 21 -6.604 3.485 -5.337
168 HH12 ARG 21 HH12 ARG 21 -7.932 3.511 -6.455
169 HH21 ARG 21 HH21 ARG 21 -8.956 6.753 -5.578
170 HH22 ARG 21 HH22 ARG 21 -9.275 5.380 -6.599
171 H HIS 22 HN HIS 22 -2.451 2.992 -1.078
172 HA HIS 22 HA HIS 22 -3.704 1.095 -2.812
173 HB2 HIS 22 HB2 HIS 22 -1.217 1.494 -2.426
174 HB3 HIS 22 HB1 HIS 22 -1.392 0.531 -0.974
175 HD1 HIS 22 HD1 HIS 22 -1.648 0.205 -4.748
176 HD2 HIS 22 HD2 HIS 22 -1.416 -2.128 -1.318
177 HE1 HIS 22 HE1 HIS 22 -1.283 -2.177 -5.528
178 H VAL 23 HN VAL 23 -2.974 1.086 0.662
179 HA VAL 23 HA VAL 23 -3.850 -1.548 1.002
180 HB VAL 23 HB VAL 23 -3.523 0.630 3.080
181 HG11 VAL 23 HG11 VAL 23 -5.033 -1.074 3.922
182 HG12 VAL 23 HG12 VAL 23 -3.469 -1.198 4.728
183 HG13 VAL 23 HG13 VAL 23 -3.899 -2.342 3.454
184 HG21 VAL 23 HG21 VAL 23 -1.722 -1.677 2.336
185 HG22 VAL 23 HG22 VAL 23 -1.410 -0.465 3.580
186 HG23 VAL 23 HG23 VAL 23 -1.467 0.008 1.882
187 H ARG 24 HN ARG 24 -5.455 1.558 1.196
188 HA ARG 24 HA ARG 24 -7.899 0.508 2.252
189 HB2 ARG 24 HB2 ARG 24 -7.421 3.126 0.818
190 HB3 ARG 24 HB1 ARG 24 -8.860 2.699 1.730
191 HG2 ARG 24 HG2 ARG 24 -7.253 2.377 3.710
192 HG3 ARG 24 HG1 ARG 24 -6.109 3.297 2.732
193 HD2 ARG 24 HD2 ARG 24 -7.186 4.885 4.098
194 HD3 ARG 24 HD1 ARG 24 -7.937 5.047 2.509
195 HE ARG 24 HE ARG 24 -9.335 3.218 4.225
196 HH11 ARG 24 HH11 ARG 24 -8.932 6.620 3.448
197 HH12 ARG 24 HH12 ARG 24 -10.493 7.078 4.064
198 HH21 ARG 24 HH21 ARG 24 -11.400 3.802 4.984
199 HH22 ARG 24 HH22 ARG 24 -11.914 5.466 4.915
200 H ILE 25 HN ILE 25 -6.447 0.345 -0.781
201 HA ILE 25 HA ILE 25 -8.813 0.161 -2.373
202 HB ILE 25 HB ILE 25 -5.964 -0.727 -2.807
203 HG12 ILE 25 HG12 ILE 25 -7.667 1.282 -4.281
204 HG13 ILE 25 HG11 ILE 25 -6.544 1.679 -2.995
205 HG21 ILE 25 HG21 ILE 25 -7.311 -2.378 -3.905
206 HG22 ILE 25 HG22 ILE 25 -6.600 -1.301 -5.109
207 HG23 ILE 25 HG23 ILE 25 -8.293 -1.119 -4.656
208 HD11 ILE 25 HD11 ILE 25 -5.583 2.119 -5.179
209 HD12 ILE 25 HD12 ILE 25 -5.815 0.426 -5.624
210 HD13 ILE 25 HD13 ILE 25 -4.692 0.856 -4.333
211 H HIS 26 HN HIS 26 -6.622 -2.191 -0.854
212 HA HIS 26 HA HIS 26 -7.979 -4.503 -1.718
213 HB2 HIS 26 HB2 HIS 26 -6.176 -3.999 0.638
214 HB3 HIS 26 HB1 HIS 26 -6.890 -5.574 0.342
215 HD1 HIS 26 HD1 HIS 26 -6.377 -6.005 -2.637
216 HD2 HIS 26 HD2 HIS 26 -3.625 -4.258 -0.037
217 HE1 HIS 26 HE1 HIS 26 -4.069 -6.412 -3.634
218 H THR 27 HN THR 27 -8.207 -2.696 1.332
219 HA THR 27 HA THR 27 -10.234 -4.521 2.301
220 HB THR 27 HB THR 27 -9.253 -2.031 3.686
221 HG1 THR 27 HG1 THR 27 -7.511 -3.188 4.380
222 HG21 THR 27 HG21 THR 27 -9.767 -3.359 5.708
223 HG22 THR 27 HG22 THR 27 -10.365 -4.663 4.680
224 HG23 THR 27 HG23 THR 27 -11.192 -3.105 4.699
225 H GLY 28 HN GLY 28 -10.085 -1.340 0.902
226 HA2 GLY 28 HA2 GLY 28 -11.808 -0.104 -0.012
227 HA3 GLY 28 HA1 GLY 28 -12.934 -1.339 0.535
228 H GLU 29 HN GLU 29 -13.002 -1.387 3.080
229 HA GLU 29 HA GLU 29 -14.112 1.175 3.811
230 HB2 GLU 29 HB2 GLU 29 -13.819 -1.298 5.519
231 HB3 GLU 29 HB1 GLU 29 -14.898 0.060 5.802
232 HG2 GLU 29 HG2 GLU 29 -16.188 -0.523 3.842
233 HG3 GLU 29 HG1 GLU 29 -15.079 -1.847 3.482
234 H LYS 30 HN LYS 30 -11.638 -0.965 5.112
235 HA LYS 30 HA LYS 30 -10.783 1.021 7.040
236 HB2 LYS 30 HB2 LYS 30 -9.520 -1.677 6.549
237 HB3 LYS 30 HB1 LYS 30 -9.485 -0.714 8.020
238 HG2 LYS 30 HG2 LYS 30 -11.966 -1.974 6.869
239 HG3 LYS 30 HG1 LYS 30 -10.976 -2.690 8.141
240 HD2 LYS 30 HD2 LYS 30 -11.588 -1.089 9.701
241 HD3 LYS 30 HD1 LYS 30 -12.052 0.082 8.463
242 HE2 LYS 30 HE2 LYS 30 -13.956 -0.976 9.726
243 HE3 LYS 30 HE1 LYS 30 -14.050 -1.089 7.971
244 HZ1 LYS 30 HZ1 LYS 30 -13.262 -3.353 8.086
245 HZ2 LYS 30 HZ2 LYS 30 -14.630 -3.176 9.072
246 HZ3 LYS 30 HZ3 LYS 30 -13.093 -3.251 9.770
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 12.087 -0.632 2.172
2 H2 MET 1 HT2 MET 1 10.739 -0.091 3.040
3 H3 MET 1 HT3 MET 1 11.625 -1.418 3.594
4 HA MET 1 HA MET 1 12.133 0.534 4.890
5 HB2 MET 1 HB2 MET 1 14.364 -0.362 3.050
6 HB3 MET 1 HB1 MET 1 14.605 0.547 4.535
7 HG2 MET 1 HG2 MET 1 13.677 -1.287 5.830
8 HG3 MET 1 HG1 MET 1 13.371 -2.194 4.350
9 HE1 MET 1 HE1 MET 1 15.267 -3.130 2.771
10 HE2 MET 1 HE2 MET 1 16.994 -2.934 3.072
11 HE3 MET 1 HE3 MET 1 16.012 -1.537 2.639
12 H LYS 2 HN LYS 2 13.989 1.127 1.921
13 HA LYS 2 HA LYS 2 13.508 3.947 2.123
14 HB2 LYS 2 HB2 LYS 2 14.772 2.399 -0.150
15 HB3 LYS 2 HB1 LYS 2 14.847 4.140 0.088
16 HG2 LYS 2 HG2 LYS 2 16.115 3.828 2.132
17 HG3 LYS 2 HG1 LYS 2 16.006 2.077 1.950
18 HD2 LYS 2 HD2 LYS 2 18.157 2.774 1.166
19 HD3 LYS 2 HD1 LYS 2 17.190 2.301 -0.231
20 HE2 LYS 2 HE2 LYS 2 16.717 4.621 -0.730
21 HE3 LYS 2 HE1 LYS 2 17.576 5.136 0.720
22 HZ1 LYS 2 HZ1 LYS 2 18.777 3.748 -1.617
23 HZ2 LYS 2 HZ2 LYS 2 19.606 4.186 -0.204
24 HZ3 LYS 2 HZ3 LYS 2 18.967 5.385 -1.219
25 HA PRO 3 HA PRO 3 10.310 3.104 -1.293
26 HB2 PRO 3 HB2 PRO 3 9.984 0.664 -2.336
27 HB3 PRO 3 HB1 PRO 3 11.212 1.771 -2.979
28 HG2 PRO 3 HG2 PRO 3 11.534 -0.522 -1.080
29 HG3 PRO 3 HG1 PRO 3 12.524 -0.074 -2.475
30 HD2 PRO 3 HD2 PRO 3 13.182 0.551 0.108
31 HD3 PRO 3 HD1 PRO 3 13.692 1.511 -1.296
32 H TYR 4 HN TYR 4 8.171 1.908 -1.257
33 HA TYR 4 HA TYR 4 7.780 0.753 1.409
34 HB2 TYR 4 HB2 TYR 4 5.994 2.787 0.023
35 HB3 TYR 4 HB1 TYR 4 5.728 2.054 1.605
36 HD1 TYR 4 HD2 TYR 4 7.263 2.571 3.499
37 HD2 TYR 4 HD1 TYR 4 7.533 4.587 -0.239
38 HE1 TYR 4 HE2 TYR 4 8.555 4.367 4.570
39 HE2 TYR 4 HE1 TYR 4 8.820 6.390 0.822
40 HH TYR 4 HH TYR 4 9.137 7.349 3.070
41 H VAL 5 HN VAL 5 6.938 -1.192 1.300
42 HA VAL 5 HA VAL 5 5.753 -2.029 -1.241
43 HB VAL 5 HB VAL 5 6.410 -4.241 -0.727
44 HG11 VAL 5 HG11 VAL 5 8.617 -2.389 0.143
45 HG12 VAL 5 HG12 VAL 5 8.206 -2.812 -1.519
46 HG13 VAL 5 HG13 VAL 5 8.827 -4.046 -0.424
47 HG21 VAL 5 HG21 VAL 5 7.416 -4.923 1.400
48 HG22 VAL 5 HG22 VAL 5 5.777 -4.316 1.631
49 HG23 VAL 5 HG23 VAL 5 7.158 -3.301 2.038
50 H CYS 6 HN CYS 6 3.821 -3.140 -1.333
51 HA CYS 6 HA CYS 6 1.888 -2.657 0.682
52 HB2 CYS 6 HB2 CYS 6 1.260 -2.959 -1.680
53 HB3 CYS 6 HB1 CYS 6 1.788 -4.634 -1.610
54 H ILE 7 HN ILE 7 1.321 -3.810 2.393
55 HA ILE 7 HA ILE 7 2.982 -5.982 3.215
56 HB ILE 7 HB ILE 7 0.590 -4.664 4.529
57 HG12 ILE 7 HG12 ILE 7 2.447 -3.810 6.093
58 HG13 ILE 7 HG11 ILE 7 3.569 -4.290 4.826
59 HG21 ILE 7 HG21 ILE 7 1.336 -5.780 6.586
60 HG22 ILE 7 HG22 ILE 7 2.541 -6.663 5.645
61 HG23 ILE 7 HG23 ILE 7 0.822 -6.915 5.338
62 HD11 ILE 7 HD11 ILE 7 2.508 -2.765 3.274
63 HD12 ILE 7 HD12 ILE 7 3.022 -1.911 4.733
64 HD13 ILE 7 HD13 ILE 7 1.321 -2.318 4.500
65 H HIS 8 HN HIS 8 -0.063 -5.589 1.672
66 HA HIS 8 HA HIS 8 -1.122 -8.104 2.663
67 HB2 HIS 8 HB2 HIS 8 -2.479 -5.953 2.338
68 HB3 HIS 8 HB1 HIS 8 -2.428 -6.321 0.613
69 HD1 HIS 8 HD1 HIS 8 -3.560 -7.990 3.851
70 HD2 HIS 8 HD2 HIS 8 -4.487 -7.891 -0.201
71 HE1 HIS 8 HE1 HIS 8 -5.640 -9.369 3.593
72 HE2 HIS 8 HE2 HIS 8 -6.324 -9.048 1.197
73 H CYS 9 HN CYS 9 -0.142 -6.734 -0.515
74 HA CYS 9 HA CYS 9 -0.314 -9.489 -1.522
75 HB2 CYS 9 HB2 CYS 9 -0.885 -8.653 -3.674
76 HB3 CYS 9 HB1 CYS 9 -1.938 -7.871 -2.510
77 H GLN 10 HN GLN 10 1.769 -7.004 -0.769
78 HA GLN 10 HA GLN 10 4.005 -6.794 -0.833
79 HB2 GLN 10 HB2 GLN 10 3.925 -9.565 -2.030
80 HB3 GLN 10 HB1 GLN 10 5.382 -8.751 -1.451
81 HG2 GLN 10 HG2 GLN 10 4.472 -8.664 0.793
82 HG3 GLN 10 HG1 GLN 10 2.973 -9.403 0.234
83 HE21 GLN 10 HE21 GLN 10 4.825 -10.294 2.267
84 HE22 GLN 10 HE22 GLN 10 5.376 -11.879 1.781
85 H ARG 11 HN ARG 11 3.621 -5.094 -2.347
86 HA ARG 11 HA ARG 11 5.112 -5.539 -4.805
87 HB2 ARG 11 HB2 ARG 11 2.300 -4.614 -4.585
88 HB3 ARG 11 HB1 ARG 11 3.334 -3.742 -5.714
89 HG2 ARG 11 HG2 ARG 11 2.925 -6.729 -5.713
90 HG3 ARG 11 HG1 ARG 11 2.090 -5.590 -6.777
91 HD2 ARG 11 HD2 ARG 11 3.947 -5.182 -8.027
92 HD3 ARG 11 HD1 ARG 11 5.046 -5.445 -6.676
93 HE ARG 11 HE ARG 11 3.733 -7.833 -7.606
94 HH11 ARG 11 HH11 ARG 11 6.474 -5.691 -7.983
95 HH12 ARG 11 HH12 ARG 11 7.495 -6.911 -8.692
96 HH21 ARG 11 HH21 ARG 11 5.072 -9.455 -8.535
97 HH22 ARG 11 HH22 ARG 11 6.694 -9.044 -9.011
98 H GLN 12 HN GLN 12 6.308 -3.699 -5.472
99 HA GLN 12 HA GLN 12 7.019 -2.021 -3.240
100 HB2 GLN 12 HB2 GLN 12 8.167 -1.698 -5.990
101 HB3 GLN 12 HB1 GLN 12 8.938 -1.467 -4.433
102 HG2 GLN 12 HG2 GLN 12 8.132 -4.108 -5.562
103 HG3 GLN 12 HG1 GLN 12 9.756 -3.439 -5.664
104 HE21 GLN 12 HE21 GLN 12 10.974 -3.239 -3.748
105 HE22 GLN 12 HE22 GLN 12 10.592 -4.197 -2.336
106 H PHE 13 HN PHE 13 6.661 0.068 -2.993
107 HA PHE 13 HA PHE 13 5.662 1.663 -5.243
108 HB2 PHE 13 HB2 PHE 13 4.411 1.469 -2.501
109 HB3 PHE 13 HB1 PHE 13 4.111 2.831 -3.586
110 HD1 PHE 13 HD1 PHE 13 2.912 2.486 -5.697
111 HD2 PHE 13 HD2 PHE 13 3.438 -0.660 -2.885
112 HE1 PHE 13 HE1 PHE 13 1.115 1.211 -6.789
113 HE2 PHE 13 HE2 PHE 13 1.646 -1.943 -3.970
114 HZ PHE 13 HZ PHE 13 0.554 -1.028 -6.016
115 H ALA 14 HN ALA 14 5.776 4.035 -4.734
116 HA ALA 14 HA ALA 14 8.513 4.456 -3.837
117 HB1 ALA 14 HB1 ALA 14 8.414 6.522 -5.061
118 HB2 ALA 14 HB2 ALA 14 6.673 6.344 -5.283
119 HB3 ALA 14 HB3 ALA 14 7.782 5.215 -6.064
120 H ASP 15 HN ASP 15 5.344 5.092 -2.676
121 HA ASP 15 HA ASP 15 6.441 6.887 -0.626
122 HB2 ASP 15 HB2 ASP 15 5.165 8.037 -2.692
123 HB3 ASP 15 HB1 ASP 15 3.775 7.580 -1.739
124 HA PRO 16 HA PRO 16 3.566 4.631 2.033
125 HB2 PRO 16 HB2 PRO 16 3.496 7.070 3.681
126 HB3 PRO 16 HB1 PRO 16 4.060 5.451 4.109
127 HG2 PRO 16 HG2 PRO 16 5.761 7.505 3.785
128 HG3 PRO 16 HG1 PRO 16 6.191 5.842 3.342
129 HD2 PRO 16 HD2 PRO 16 5.319 8.109 1.581
130 HD3 PRO 16 HD1 PRO 16 6.595 6.903 1.309
131 H GLY 17 HN GLY 17 3.213 7.835 0.773
132 HA2 GLY 17 HA2 GLY 17 0.505 8.347 1.135
133 HA3 GLY 17 HA1 GLY 17 1.473 8.857 -0.255
134 H ALA 18 HN ALA 18 2.122 6.468 -1.388
135 HA ALA 18 HA ALA 18 -0.357 5.805 -2.665
136 HB1 ALA 18 HB1 ALA 18 2.390 4.655 -3.065
137 HB2 ALA 18 HB2 ALA 18 1.638 5.938 -4.016
138 HB3 ALA 18 HB3 ALA 18 0.974 4.301 -4.050
139 H LEU 19 HN LEU 19 1.534 4.470 -0.090
140 HA LEU 19 HA LEU 19 0.475 1.838 -0.288
141 HB2 LEU 19 HB2 LEU 19 2.215 3.313 1.565
142 HB3 LEU 19 HB1 LEU 19 1.185 2.113 2.344
143 HG LEU 19 HG LEU 19 3.402 1.215 1.775
144 HD11 LEU 19 HD11 LEU 19 1.138 0.026 0.182
145 HD12 LEU 19 HD12 LEU 19 1.473 -0.271 1.887
146 HD13 LEU 19 HD13 LEU 19 2.617 -0.809 0.654
147 HD21 LEU 19 HD21 LEU 19 2.559 1.695 -1.078
148 HD22 LEU 19 HD22 LEU 19 4.012 0.847 -0.550
149 HD23 LEU 19 HD23 LEU 19 3.827 2.568 -0.217
150 H GLN 20 HN GLN 20 -0.384 4.816 1.323
151 HA GLN 20 HA GLN 20 -2.376 3.542 2.840
152 HB2 GLN 20 HB2 GLN 20 -2.952 5.654 3.732
153 HB3 GLN 20 HB1 GLN 20 -1.216 5.699 3.467
154 HG2 GLN 20 HG2 GLN 20 -1.631 6.882 1.331
155 HG3 GLN 20 HG1 GLN 20 -3.336 6.969 1.774
156 HE21 GLN 20 HE21 GLN 20 -3.967 8.274 3.506
157 HE22 GLN 20 HE22 GLN 20 -2.936 9.511 4.136
158 H ARG 21 HN ARG 21 -2.245 5.244 -0.110
159 HA ARG 21 HA ARG 21 -5.024 5.158 -0.722
160 HB2 ARG 21 HB2 ARG 21 -2.686 6.115 -1.987
161 HB3 ARG 21 HB1 ARG 21 -3.377 4.932 -3.089
162 HG2 ARG 21 HG2 ARG 21 -4.324 6.963 -3.733
163 HG3 ARG 21 HG1 ARG 21 -5.581 6.173 -2.777
164 HD2 ARG 21 HD2 ARG 21 -5.503 8.447 -2.083
165 HD3 ARG 21 HD1 ARG 21 -4.766 7.488 -0.799
166 HE ARG 21 HE ARG 21 -2.928 8.602 -2.744
167 HH11 ARG 21 HH11 ARG 21 -4.483 8.991 0.375
168 HH12 ARG 21 HH12 ARG 21 -3.331 10.176 0.935
169 HH21 ARG 21 HH21 ARG 21 -1.426 10.165 -2.014
170 HH22 ARG 21 HH22 ARG 21 -1.585 10.818 -0.409
171 H HIS 22 HN HIS 22 -2.352 2.970 -0.957
172 HA HIS 22 HA HIS 22 -3.508 1.088 -2.760
173 HB2 HIS 22 HB2 HIS 22 -1.057 1.385 -2.163
174 HB3 HIS 22 HB1 HIS 22 -1.402 0.487 -0.700
175 HD1 HIS 22 HD1 HIS 22 -1.528 0.008 -4.482
176 HD2 HIS 22 HD2 HIS 22 -1.327 -2.156 -0.938
177 HE1 HIS 22 HE1 HIS 22 -1.183 -2.406 -5.142
178 H VAL 23 HN VAL 23 -3.181 1.193 0.775
179 HA VAL 23 HA VAL 23 -4.214 -1.390 1.079
180 HB VAL 23 HB VAL 23 -4.148 0.809 3.160
181 HG11 VAL 23 HG11 VAL 23 -4.453 -2.180 3.485
182 HG12 VAL 23 HG12 VAL 23 -5.727 -0.983 3.728
183 HG13 VAL 23 HG13 VAL 23 -4.322 -1.004 4.794
184 HG21 VAL 23 HG21 VAL 23 -1.928 0.249 2.258
185 HG22 VAL 23 HG22 VAL 23 -2.206 -1.451 2.645
186 HG23 VAL 23 HG23 VAL 23 -2.097 -0.256 3.939
187 H ARG 24 HN ARG 24 -5.664 1.806 1.007
188 HA ARG 24 HA ARG 24 -8.308 1.184 1.605
189 HB2 ARG 24 HB2 ARG 24 -7.043 3.181 -0.255
190 HB3 ARG 24 HB1 ARG 24 -8.782 3.120 0.010
191 HG2 ARG 24 HG2 ARG 24 -6.883 3.334 2.307
192 HG3 ARG 24 HG1 ARG 24 -7.370 4.753 1.392
193 HD2 ARG 24 HD2 ARG 24 -9.075 2.884 3.012
194 HD3 ARG 24 HD1 ARG 24 -8.889 4.629 3.194
195 HE ARG 24 HE ARG 24 -9.935 4.414 0.724
196 HH11 ARG 24 HH11 ARG 24 -10.933 3.177 3.845
197 HH12 ARG 24 HH12 ARG 24 -12.604 2.986 3.368
198 HH21 ARG 24 HH21 ARG 24 -12.094 4.181 0.105
199 HH22 ARG 24 HH22 ARG 24 -13.259 3.530 1.233
200 H ILE 25 HN ILE 25 -6.425 0.567 -1.281
201 HA ILE 25 HA ILE 25 -8.542 0.011 -3.055
202 HB ILE 25 HB ILE 25 -5.667 -0.909 -3.012
203 HG12 ILE 25 HG12 ILE 25 -7.110 1.077 -4.770
204 HG13 ILE 25 HG11 ILE 25 -6.107 1.485 -3.392
205 HG21 ILE 25 HG21 ILE 25 -6.013 -1.593 -5.347
206 HG22 ILE 25 HG22 ILE 25 -7.745 -1.353 -5.129
207 HG23 ILE 25 HG23 ILE 25 -6.898 -2.586 -4.191
208 HD11 ILE 25 HD11 ILE 25 -4.165 0.528 -4.499
209 HD12 ILE 25 HD12 ILE 25 -4.909 1.792 -5.478
210 HD13 ILE 25 HD13 ILE 25 -5.169 0.094 -5.881
211 H HIS 26 HN HIS 26 -6.479 -2.175 -1.123
212 HA HIS 26 HA HIS 26 -7.891 -4.532 -1.758
213 HB2 HIS 26 HB2 HIS 26 -6.180 -3.805 0.613
214 HB3 HIS 26 HB1 HIS 26 -6.926 -5.386 0.451
215 HD1 HIS 26 HD1 HIS 26 -6.275 -6.195 -2.399
216 HD2 HIS 26 HD2 HIS 26 -3.621 -4.138 0.069
217 HE1 HIS 26 HE1 HIS 26 -3.930 -6.727 -3.251
218 H THR 27 HN THR 27 -8.191 -2.276 0.954
219 HA THR 27 HA THR 27 -10.377 -3.794 2.106
220 HB THR 27 HB THR 27 -9.482 -1.085 3.064
221 HG1 THR 27 HG1 THR 27 -7.533 -2.046 3.052
222 HG21 THR 27 HG21 THR 27 -10.449 -3.574 4.483
223 HG22 THR 27 HG22 THR 27 -11.413 -2.134 4.156
224 HG23 THR 27 HG23 THR 27 -10.037 -2.042 5.256
225 H GLY 28 HN GLY 28 -11.166 -3.086 -0.348
226 HA2 GLY 28 HA2 GLY 28 -12.507 -0.539 -0.403
227 HA3 GLY 28 HA1 GLY 28 -12.591 -1.791 -1.628
228 H GLU 29 HN GLU 29 -13.356 -2.206 1.782
229 HA GLU 29 HA GLU 29 -16.006 -3.147 1.122
230 HB2 GLU 29 HB2 GLU 29 -14.731 -2.684 3.828
231 HB3 GLU 29 HB1 GLU 29 -16.211 -3.584 3.522
232 HG2 GLU 29 HG2 GLU 29 -14.984 -5.269 2.307
233 HG3 GLU 29 HG1 GLU 29 -13.493 -4.343 2.475
234 H LYS 30 HN LYS 30 -14.477 -0.346 2.530
235 HA LYS 30 HA LYS 30 -16.719 1.290 1.827
236 HB2 LYS 30 HB2 LYS 30 -17.353 0.454 4.104
237 HB3 LYS 30 HB1 LYS 30 -15.892 1.201 4.738
238 HG2 LYS 30 HG2 LYS 30 -16.720 3.391 3.914
239 HG3 LYS 30 HG1 LYS 30 -18.224 2.597 3.447
240 HD2 LYS 30 HD2 LYS 30 -18.582 1.932 5.787
241 HD3 LYS 30 HD1 LYS 30 -17.091 2.761 6.238
242 HE2 LYS 30 HE2 LYS 30 -19.551 4.025 5.039
243 HE3 LYS 30 HE1 LYS 30 -19.020 4.159 6.714
244 HZ1 LYS 30 HZ1 LYS 30 -18.442 6.102 5.325
245 HZ2 LYS 30 HZ2 LYS 30 -17.434 5.113 4.387
246 HZ3 LYS 30 HZ3 LYS 30 -17.089 5.361 6.029
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 17.115 6.299 3.382
2 H2 MET 1 HT2 MET 1 17.082 5.794 1.762
3 H3 MET 1 HT3 MET 1 17.489 4.696 2.990
4 HA MET 1 HA MET 1 15.294 4.828 3.913
5 HB2 MET 1 HB2 MET 1 14.879 6.774 1.645
6 HB3 MET 1 HB1 MET 1 13.536 5.939 2.408
7 HG2 MET 1 HG2 MET 1 13.708 8.090 3.390
8 HG3 MET 1 HG1 MET 1 14.253 6.913 4.585
9 HE1 MET 1 HE1 MET 1 14.802 10.038 4.843
10 HE2 MET 1 HE2 MET 1 16.476 10.016 5.392
11 HE3 MET 1 HE3 MET 1 15.326 8.835 6.023
12 H LYS 2 HN LYS 2 13.900 3.206 3.358
13 HA LYS 2 HA LYS 2 14.449 1.887 0.786
14 HB2 LYS 2 HB2 LYS 2 13.607 -0.174 1.867
15 HB3 LYS 2 HB1 LYS 2 15.008 0.488 2.695
16 HG2 LYS 2 HG2 LYS 2 13.549 1.454 4.399
17 HG3 LYS 2 HG1 LYS 2 12.140 0.789 3.567
18 HD2 LYS 2 HD2 LYS 2 13.110 -1.481 3.874
19 HD3 LYS 2 HD1 LYS 2 14.403 -0.756 4.832
20 HE2 LYS 2 HE2 LYS 2 12.704 -1.637 6.305
21 HE3 LYS 2 HE1 LYS 2 12.703 0.123 6.395
22 HZ1 LYS 2 HZ1 LYS 2 10.823 -1.482 4.744
23 HZ2 LYS 2 HZ2 LYS 2 10.781 0.198 4.973
24 HZ3 LYS 2 HZ3 LYS 2 10.458 -0.844 6.273
25 HA PRO 3 HA PRO 3 10.449 2.974 -0.718
26 HB2 PRO 3 HB2 PRO 3 10.482 0.188 -1.782
27 HB3 PRO 3 HB1 PRO 3 10.112 1.712 -2.612
28 HG2 PRO 3 HG2 PRO 3 12.439 0.578 -2.986
29 HG3 PRO 3 HG1 PRO 3 12.340 2.327 -2.729
30 HD2 PRO 3 HD2 PRO 3 13.169 0.179 -0.804
31 HD3 PRO 3 HD1 PRO 3 13.882 1.787 -1.065
32 H TYR 4 HN TYR 4 8.278 2.174 -0.860
33 HA TYR 4 HA TYR 4 7.615 0.833 1.664
34 HB2 TYR 4 HB2 TYR 4 6.024 2.873 0.071
35 HB3 TYR 4 HB1 TYR 4 5.475 2.074 1.548
36 HD1 TYR 4 HD1 TYR 4 7.964 4.424 0.181
37 HD2 TYR 4 HD2 TYR 4 6.220 2.783 3.698
38 HE1 TYR 4 HE1 TYR 4 9.039 6.178 1.527
39 HE2 TYR 4 HE2 TYR 4 7.295 4.529 5.054
40 HH TYR 4 HH TYR 4 9.215 6.051 4.921
41 H VAL 5 HN VAL 5 6.583 -1.031 1.594
42 HA VAL 5 HA VAL 5 5.755 -1.984 -1.055
43 HB VAL 5 HB VAL 5 6.342 -4.215 -0.330
44 HG11 VAL 5 HG11 VAL 5 8.585 -2.311 0.302
45 HG12 VAL 5 HG12 VAL 5 8.081 -2.779 -1.322
46 HG13 VAL 5 HG13 VAL 5 8.746 -3.989 -0.222
47 HG21 VAL 5 HG21 VAL 5 5.815 -4.107 2.021
48 HG22 VAL 5 HG22 VAL 5 7.097 -2.929 2.288
49 HG23 VAL 5 HG23 VAL 5 7.502 -4.584 1.834
50 H CYS 6 HN CYS 6 3.900 -3.234 -1.240
51 HA CYS 6 HA CYS 6 1.838 -2.754 0.695
52 HB2 CYS 6 HB2 CYS 6 1.406 -2.898 -1.760
53 HB3 CYS 6 HB1 CYS 6 1.787 -4.612 -1.694
54 H ILE 7 HN ILE 7 1.674 -3.875 2.506
55 HA ILE 7 HA ILE 7 3.014 -6.321 2.988
56 HB ILE 7 HB ILE 7 0.874 -4.832 4.531
57 HG12 ILE 7 HG12 ILE 7 2.853 -4.470 6.116
58 HG13 ILE 7 HG11 ILE 7 3.871 -5.040 4.799
59 HG21 ILE 7 HG21 ILE 7 0.722 -7.181 5.075
60 HG22 ILE 7 HG22 ILE 7 1.392 -6.275 6.433
61 HG23 ILE 7 HG23 ILE 7 2.452 -7.236 5.403
62 HD11 ILE 7 HD11 ILE 7 3.784 -2.605 4.911
63 HD12 ILE 7 HD12 ILE 7 2.037 -2.661 4.673
64 HD13 ILE 7 HD13 ILE 7 3.119 -3.219 3.396
65 H HIS 8 HN HIS 8 0.011 -5.456 1.622
66 HA HIS 8 HA HIS 8 -1.422 -7.801 2.477
67 HB2 HIS 8 HB2 HIS 8 -2.223 -5.314 1.860
68 HB3 HIS 8 HB1 HIS 8 -2.508 -6.106 0.307
69 HD1 HIS 8 HD1 HIS 8 -4.430 -7.830 0.191
70 HD2 HIS 8 HD2 HIS 8 -3.875 -6.138 3.952
71 HE1 HIS 8 HE1 HIS 8 -6.491 -8.403 1.512
72 HE2 HIS 8 HE2 HIS 8 -6.219 -7.193 3.704
73 H CYS 9 HN CYS 9 0.047 -6.675 -0.596
74 HA CYS 9 HA CYS 9 -0.471 -9.380 -1.617
75 HB2 CYS 9 HB2 CYS 9 -0.994 -8.526 -3.768
76 HB3 CYS 9 HB1 CYS 9 -1.964 -7.632 -2.613
77 H GLN 10 HN GLN 10 1.825 -7.138 -0.828
78 HA GLN 10 HA GLN 10 4.073 -7.144 -0.887
79 HB2 GLN 10 HB2 GLN 10 3.760 -9.777 -2.331
80 HB3 GLN 10 HB1 GLN 10 5.281 -9.135 -1.705
81 HG2 GLN 10 HG2 GLN 10 2.851 -9.790 -0.049
82 HG3 GLN 10 HG1 GLN 10 4.272 -10.816 -0.225
83 HE21 GLN 10 HE21 GLN 10 3.081 -9.566 2.152
84 HE22 GLN 10 HE22 GLN 10 4.355 -8.621 2.868
85 H ARG 11 HN ARG 11 3.427 -5.328 -2.390
86 HA ARG 11 HA ARG 11 5.040 -5.604 -4.805
87 HB2 ARG 11 HB2 ARG 11 2.316 -4.365 -4.515
88 HB3 ARG 11 HB1 ARG 11 3.424 -3.859 -5.783
89 HG2 ARG 11 HG2 ARG 11 3.485 -6.142 -6.647
90 HG3 ARG 11 HG1 ARG 11 2.383 -6.653 -5.366
91 HD2 ARG 11 HD2 ARG 11 0.665 -5.169 -6.222
92 HD3 ARG 11 HD1 ARG 11 1.769 -4.569 -7.458
93 HE ARG 11 HE ARG 11 1.400 -7.417 -7.572
94 HH11 ARG 11 HH11 ARG 11 0.135 -4.307 -8.566
95 HH12 ARG 11 HH12 ARG 11 -0.789 -4.948 -9.894
96 HH21 ARG 11 HH21 ARG 11 0.221 -8.272 -9.357
97 HH22 ARG 11 HH22 ARG 11 -0.714 -7.196 -10.354
98 H GLN 12 HN GLN 12 6.473 -3.955 -5.109
99 HA GLN 12 HA GLN 12 6.834 -2.149 -2.881
100 HB2 GLN 12 HB2 GLN 12 8.473 -2.497 -5.392
101 HB3 GLN 12 HB1 GLN 12 8.944 -1.589 -3.971
102 HG2 GLN 12 HG2 GLN 12 8.877 -3.686 -2.660
103 HG3 GLN 12 HG1 GLN 12 8.528 -4.558 -4.149
104 HE21 GLN 12 HE21 GLN 12 10.396 -5.779 -3.981
105 HE22 GLN 12 HE22 GLN 12 11.967 -5.102 -4.329
106 H PHE 13 HN PHE 13 6.408 -0.041 -2.824
107 HA PHE 13 HA PHE 13 5.997 1.393 -5.359
108 HB2 PHE 13 HB2 PHE 13 4.345 1.703 -2.830
109 HB3 PHE 13 HB1 PHE 13 4.278 2.802 -4.212
110 HD1 PHE 13 HD1 PHE 13 3.236 2.129 -6.288
111 HD2 PHE 13 HD2 PHE 13 3.422 -0.520 -2.962
112 HE1 PHE 13 HE1 PHE 13 1.532 0.695 -7.335
113 HE2 PHE 13 HE2 PHE 13 1.719 -1.952 -4.002
114 HZ PHE 13 HZ PHE 13 0.827 -1.360 -6.258
115 H ALA 14 HN ALA 14 5.915 3.904 -4.725
116 HA ALA 14 HA ALA 14 8.603 4.340 -3.646
117 HB1 ALA 14 HB1 ALA 14 8.611 6.373 -4.866
118 HB2 ALA 14 HB2 ALA 14 6.865 6.307 -5.112
119 HB3 ALA 14 HB3 ALA 14 7.923 5.146 -5.932
120 H ASP 15 HN ASP 15 5.280 5.335 -3.164
121 HA ASP 15 HA ASP 15 6.184 7.325 -1.194
122 HB2 ASP 15 HB2 ASP 15 3.663 7.304 -2.864
123 HB3 ASP 15 HB1 ASP 15 4.111 8.536 -1.703
124 HA PRO 16 HA PRO 16 3.887 5.142 1.950
125 HB2 PRO 16 HB2 PRO 16 3.705 7.763 3.269
126 HB3 PRO 16 HB1 PRO 16 4.483 6.282 3.834
127 HG2 PRO 16 HG2 PRO 16 5.887 8.446 3.042
128 HG3 PRO 16 HG1 PRO 16 6.483 6.791 2.826
129 HD2 PRO 16 HD2 PRO 16 5.278 8.656 0.829
130 HD3 PRO 16 HD1 PRO 16 6.597 7.474 0.629
131 H GLY 17 HN GLY 17 2.977 8.258 0.610
132 HA2 GLY 17 HA2 GLY 17 0.280 8.299 1.404
133 HA3 GLY 17 HA1 GLY 17 0.965 9.152 0.025
134 H ALA 18 HN ALA 18 1.924 6.668 -1.213
135 HA ALA 18 HA ALA 18 -0.543 6.013 -2.547
136 HB1 ALA 18 HB1 ALA 18 2.244 4.988 -3.030
137 HB2 ALA 18 HB2 ALA 18 1.447 6.304 -3.898
138 HB3 ALA 18 HB3 ALA 18 0.832 4.653 -4.032
139 H LEU 19 HN LEU 19 1.604 4.496 -0.219
140 HA LEU 19 HA LEU 19 0.514 1.899 -0.539
141 HB2 LEU 19 HB2 LEU 19 2.397 3.218 1.291
142 HB3 LEU 19 HB1 LEU 19 1.446 1.934 2.030
143 HG LEU 19 HG LEU 19 3.537 1.030 1.252
144 HD11 LEU 19 HD11 LEU 19 1.569 -0.392 1.061
145 HD12 LEU 19 HD12 LEU 19 2.712 -0.721 -0.241
146 HD13 LEU 19 HD13 LEU 19 1.264 0.233 -0.560
147 HD21 LEU 19 HD21 LEU 19 3.954 2.767 -0.464
148 HD22 LEU 19 HD22 LEU 19 2.766 1.973 -1.501
149 HD23 LEU 19 HD23 LEU 19 4.243 1.124 -1.033
150 H GLN 20 HN GLN 20 -0.291 4.739 1.308
151 HA GLN 20 HA GLN 20 -2.074 3.307 2.929
152 HB2 GLN 20 HB2 GLN 20 -2.753 5.397 3.899
153 HB3 GLN 20 HB1 GLN 20 -1.017 5.411 3.671
154 HG2 GLN 20 HG2 GLN 20 -1.282 6.745 1.651
155 HG3 GLN 20 HG1 GLN 20 -3.027 6.761 1.904
156 HE21 GLN 20 HE21 GLN 20 -3.053 9.013 2.054
157 HE22 GLN 20 HE22 GLN 20 -2.480 9.835 3.472
158 H ARG 21 HN ARG 21 -2.298 5.171 0.096
159 HA ARG 21 HA ARG 21 -5.126 4.982 -0.226
160 HB2 ARG 21 HB2 ARG 21 -3.274 6.444 -1.472
161 HB3 ARG 21 HB1 ARG 21 -3.342 5.107 -2.608
162 HG2 ARG 21 HG2 ARG 21 -4.848 6.846 -3.321
163 HG3 ARG 21 HG1 ARG 21 -5.773 5.427 -2.819
164 HD2 ARG 21 HD2 ARG 21 -5.863 6.591 -0.517
165 HD3 ARG 21 HD1 ARG 21 -5.421 8.045 -1.410
166 HE ARG 21 HE ARG 21 -7.858 6.457 -1.913
167 HH11 ARG 21 HH11 ARG 21 -6.124 9.498 -1.906
168 HH12 ARG 21 HH12 ARG 21 -7.540 10.449 -2.257
169 HH21 ARG 21 HH21 ARG 21 -9.712 7.691 -2.357
170 HH22 ARG 21 HH22 ARG 21 -9.589 9.417 -2.503
171 H HIS 22 HN HIS 22 -2.367 3.048 -0.954
172 HA HIS 22 HA HIS 22 -3.540 1.240 -2.802
173 HB2 HIS 22 HB2 HIS 22 -1.081 1.558 -2.308
174 HB3 HIS 22 HB1 HIS 22 -1.324 0.594 -0.867
175 HD1 HIS 22 HD1 HIS 22 -1.557 0.265 -4.655
176 HD2 HIS 22 HD2 HIS 22 -1.254 -2.041 -1.211
177 HE1 HIS 22 HE1 HIS 22 -1.197 -2.115 -5.424
178 H VAL 23 HN VAL 23 -3.009 1.071 0.690
179 HA VAL 23 HA VAL 23 -3.967 -1.535 0.890
180 HB VAL 23 HB VAL 23 -3.791 0.585 3.040
181 HG11 VAL 23 HG11 VAL 23 -5.404 -1.131 3.692
182 HG12 VAL 23 HG12 VAL 23 -3.931 -1.259 4.652
183 HG13 VAL 23 HG13 VAL 23 -4.223 -2.390 3.329
184 HG21 VAL 23 HG21 VAL 23 -1.646 -0.012 2.043
185 HG22 VAL 23 HG22 VAL 23 -1.974 -1.723 2.340
186 HG23 VAL 23 HG23 VAL 23 -1.755 -0.616 3.697
187 H ARG 24 HN ARG 24 -5.549 1.614 1.107
188 HA ARG 24 HA ARG 24 -8.118 0.741 1.798
189 HB2 ARG 24 HB2 ARG 24 -7.066 3.100 0.266
190 HB3 ARG 24 HB1 ARG 24 -8.791 2.874 0.546
191 HG2 ARG 24 HG2 ARG 24 -6.865 2.767 2.820
192 HG3 ARG 24 HG1 ARG 24 -7.425 4.309 2.185
193 HD2 ARG 24 HD2 ARG 24 -9.739 3.648 2.570
194 HD3 ARG 24 HD1 ARG 24 -9.204 2.063 3.121
195 HE ARG 24 HE ARG 24 -8.473 4.529 4.565
196 HH11 ARG 24 HH11 ARG 24 -9.834 1.313 4.469
197 HH12 ARG 24 HH12 ARG 24 -10.086 1.208 6.184
198 HH21 ARG 24 HH21 ARG 24 -8.802 4.412 6.843
199 HH22 ARG 24 HH22 ARG 24 -9.496 2.982 7.534
200 H ILE 25 HN ILE 25 -6.404 0.575 -1.236
201 HA ILE 25 HA ILE 25 -8.609 0.138 -2.938
202 HB ILE 25 HB ILE 25 -5.721 -0.725 -3.149
203 HG12 ILE 25 HG12 ILE 25 -7.285 1.387 -4.637
204 HG13 ILE 25 HG11 ILE 25 -6.235 1.696 -3.269
205 HG21 ILE 25 HG21 ILE 25 -7.052 -2.291 -4.404
206 HG22 ILE 25 HG22 ILE 25 -6.183 -1.213 -5.499
207 HG23 ILE 25 HG23 ILE 25 -7.902 -0.960 -5.196
208 HD11 ILE 25 HD11 ILE 25 -5.152 2.218 -5.386
209 HD12 ILE 25 HD12 ILE 25 -5.362 0.542 -5.899
210 HD13 ILE 25 HD13 ILE 25 -4.316 0.924 -4.530
211 H HIS 26 HN HIS 26 -6.494 -2.076 -1.135
212 HA HIS 26 HA HIS 26 -7.947 -4.428 -1.854
213 HB2 HIS 26 HB2 HIS 26 -6.075 -3.872 0.454
214 HB3 HIS 26 HB1 HIS 26 -6.792 -5.445 0.143
215 HD1 HIS 26 HD1 HIS 26 -6.244 -5.951 -2.777
216 HD2 HIS 26 HD2 HIS 26 -3.543 -4.055 -0.228
217 HE1 HIS 26 HE1 HIS 26 -3.914 -6.350 -3.746
218 H THR 27 HN THR 27 -7.870 -2.369 1.025
219 HA THR 27 HA THR 27 -9.961 -3.878 2.328
220 HB THR 27 HB THR 27 -8.845 -1.270 3.328
221 HG1 THR 27 HG1 THR 27 -6.944 -2.220 3.147
222 HG21 THR 27 HG21 THR 27 -9.185 -2.305 5.505
223 HG22 THR 27 HG22 THR 27 -9.683 -3.811 4.735
224 HG23 THR 27 HG23 THR 27 -10.679 -2.365 4.569
225 H GLY 28 HN GLY 28 -11.057 -2.989 0.063
226 HA2 GLY 28 HA2 GLY 28 -12.411 -0.461 0.439
227 HA3 GLY 28 HA1 GLY 28 -12.672 -1.604 -0.872
228 H GLU 29 HN GLU 29 -13.114 -1.428 2.654
229 HA GLU 29 HA GLU 29 -15.238 -3.308 2.703
230 HB2 GLU 29 HB2 GLU 29 -14.550 -1.193 4.744
231 HB3 GLU 29 HB1 GLU 29 -15.516 -2.634 5.022
232 HG2 GLU 29 HG2 GLU 29 -13.571 -4.038 4.618
233 HG3 GLU 29 HG1 GLU 29 -12.597 -2.605 4.281
234 H LYS 30 HN LYS 30 -15.235 0.172 3.342
235 HA LYS 30 HA LYS 30 -17.881 0.377 2.088
236 HB2 LYS 30 HB2 LYS 30 -17.099 1.520 4.775
237 HB3 LYS 30 HB1 LYS 30 -18.526 2.021 3.881
238 HG2 LYS 30 HG2 LYS 30 -17.967 -0.756 4.901
239 HG3 LYS 30 HG1 LYS 30 -19.086 0.409 5.610
240 HD2 LYS 30 HD2 LYS 30 -20.417 0.381 3.564
241 HD3 LYS 30 HD1 LYS 30 -19.287 -0.765 2.838
242 HE2 LYS 30 HE2 LYS 30 -19.818 -2.376 4.617
243 HE3 LYS 30 HE1 LYS 30 -20.980 -1.234 5.288
244 HZ1 LYS 30 HZ1 LYS 30 -21.116 -2.474 2.591
245 HZ2 LYS 30 HZ2 LYS 30 -22.227 -1.356 3.212
246 HZ3 LYS 30 HZ3 LYS 30 -22.072 -2.885 3.926
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 15.645 4.934 0.681
2 H2 MET 1 HT2 MET 1 15.398 4.796 -0.993
3 H3 MET 1 HT3 MET 1 16.720 5.679 -0.399
4 HA MET 1 HA MET 1 17.376 3.516 -1.253
5 HB2 MET 1 HB2 MET 1 18.719 2.849 0.670
6 HB3 MET 1 HB1 MET 1 18.682 4.601 0.524
7 HG2 MET 1 HG2 MET 1 17.041 4.740 2.305
8 HG3 MET 1 HG1 MET 1 16.999 2.982 2.423
9 HE1 MET 1 HE1 MET 1 20.701 5.531 3.482
10 HE2 MET 1 HE2 MET 1 19.165 6.224 2.964
11 HE3 MET 1 HE3 MET 1 20.135 5.284 1.830
12 H LYS 2 HN LYS 2 14.507 3.490 0.491
13 HA LYS 2 HA LYS 2 14.194 0.651 0.094
14 HB2 LYS 2 HB2 LYS 2 15.341 1.107 2.408
15 HB3 LYS 2 HB1 LYS 2 13.733 1.612 2.906
16 HG2 LYS 2 HG2 LYS 2 14.311 -1.081 1.699
17 HG3 LYS 2 HG1 LYS 2 14.360 -0.765 3.432
18 HD2 LYS 2 HD2 LYS 2 11.959 -0.346 1.650
19 HD3 LYS 2 HD1 LYS 2 12.218 -1.742 2.700
20 HE2 LYS 2 HE2 LYS 2 12.214 -0.299 4.654
21 HE3 LYS 2 HE1 LYS 2 12.036 1.124 3.626
22 HZ1 LYS 2 HZ1 LYS 2 10.069 -1.087 3.903
23 HZ2 LYS 2 HZ2 LYS 2 9.900 0.256 2.881
24 HZ3 LYS 2 HZ3 LYS 2 9.921 0.468 4.566
25 HA PRO 3 HA PRO 3 10.397 2.914 -0.941
26 HB2 PRO 3 HB2 PRO 3 9.798 0.189 -1.972
27 HB3 PRO 3 HB1 PRO 3 9.626 1.765 -2.766
28 HG2 PRO 3 HG2 PRO 3 11.616 0.180 -3.443
29 HG3 PRO 3 HG1 PRO 3 11.890 1.920 -3.220
30 HD2 PRO 3 HD2 PRO 3 12.520 -0.342 -1.350
31 HD3 PRO 3 HD1 PRO 3 13.523 1.058 -1.792
32 H TYR 4 HN TYR 4 8.088 2.243 -0.864
33 HA TYR 4 HA TYR 4 7.548 0.909 1.696
34 HB2 TYR 4 HB2 TYR 4 5.933 2.944 0.117
35 HB3 TYR 4 HB1 TYR 4 5.343 2.113 1.561
36 HD1 TYR 4 HD1 TYR 4 7.740 4.588 0.292
37 HD2 TYR 4 HD2 TYR 4 6.156 2.699 3.759
38 HE1 TYR 4 HE1 TYR 4 8.781 6.315 1.700
39 HE2 TYR 4 HE2 TYR 4 7.194 4.418 5.176
40 HH TYR 4 HH TYR 4 8.423 7.306 3.967
41 H VAL 5 HN VAL 5 6.600 -1.024 1.640
42 HA VAL 5 HA VAL 5 5.643 -1.940 -0.974
43 HB VAL 5 HB VAL 5 6.339 -4.154 -0.387
44 HG11 VAL 5 HG11 VAL 5 8.008 -2.693 -1.376
45 HG12 VAL 5 HG12 VAL 5 8.756 -3.844 -0.270
46 HG13 VAL 5 HG13 VAL 5 8.515 -2.171 0.231
47 HG21 VAL 5 HG21 VAL 5 5.864 -4.124 2.004
48 HG22 VAL 5 HG22 VAL 5 7.222 -3.028 2.267
49 HG23 VAL 5 HG23 VAL 5 7.512 -4.672 1.697
50 H CYS 6 HN CYS 6 3.871 -3.316 -1.092
51 HA CYS 6 HA CYS 6 1.845 -2.866 0.892
52 HB2 CYS 6 HB2 CYS 6 1.326 -3.019 -1.543
53 HB3 CYS 6 HB1 CYS 6 1.770 -4.722 -1.496
54 H ILE 7 HN ILE 7 1.281 -4.144 2.496
55 HA ILE 7 HA ILE 7 2.908 -6.405 3.134
56 HB ILE 7 HB ILE 7 0.542 -5.150 4.551
57 HG12 ILE 7 HG12 ILE 7 2.429 -4.476 6.181
58 HG13 ILE 7 HG11 ILE 7 3.527 -4.847 4.860
59 HG21 ILE 7 HG21 ILE 7 0.734 -7.469 5.171
60 HG22 ILE 7 HG22 ILE 7 1.257 -6.447 6.510
61 HG23 ILE 7 HG23 ILE 7 2.452 -7.269 5.506
62 HD11 ILE 7 HD11 ILE 7 2.450 -3.164 3.479
63 HD12 ILE 7 HD12 ILE 7 3.032 -2.469 4.993
64 HD13 ILE 7 HD13 ILE 7 1.315 -2.811 4.781
65 H HIS 8 HN HIS 8 -0.122 -5.835 1.597
66 HA HIS 8 HA HIS 8 -1.176 -8.430 2.385
67 HB2 HIS 8 HB2 HIS 8 -2.446 -6.091 2.114
68 HB3 HIS 8 HB1 HIS 8 -2.696 -6.733 0.487
69 HD1 HIS 8 HD1 HIS 8 -4.430 -8.577 0.211
70 HD2 HIS 8 HD2 HIS 8 -3.631 -7.658 4.193
71 HE1 HIS 8 HE1 HIS 8 -6.164 -9.802 1.558
72 HE2 HIS 8 HE2 HIS 8 -5.759 -9.104 3.944
73 H CYS 9 HN CYS 9 -0.007 -6.835 -0.590
74 HA CYS 9 HA CYS 9 -0.357 -9.448 -1.880
75 HB2 CYS 9 HB2 CYS 9 -0.976 -8.406 -3.908
76 HB3 CYS 9 HB1 CYS 9 -1.955 -7.680 -2.645
77 H GLN 10 HN GLN 10 1.877 -7.286 -0.833
78 HA GLN 10 HA GLN 10 4.138 -7.256 -0.947
79 HB2 GLN 10 HB2 GLN 10 3.816 -9.651 -2.765
80 HB3 GLN 10 HB1 GLN 10 5.324 -9.117 -2.018
81 HG2 GLN 10 HG2 GLN 10 4.501 -9.641 0.167
82 HG3 GLN 10 HG1 GLN 10 2.887 -9.969 -0.466
83 HE21 GLN 10 HE21 GLN 10 4.653 -11.699 1.067
84 HE22 GLN 10 HE22 GLN 10 4.909 -13.116 0.077
85 H ARG 11 HN ARG 11 3.253 -5.292 -2.358
86 HA ARG 11 HA ARG 11 4.780 -5.388 -4.863
87 HB2 ARG 11 HB2 ARG 11 2.332 -3.742 -4.225
88 HB3 ARG 11 HB1 ARG 11 3.299 -3.584 -5.684
89 HG2 ARG 11 HG2 ARG 11 1.778 -6.043 -4.853
90 HG3 ARG 11 HG1 ARG 11 1.270 -4.877 -6.077
91 HD2 ARG 11 HD2 ARG 11 3.329 -5.395 -7.354
92 HD3 ARG 11 HD1 ARG 11 3.719 -6.634 -6.162
93 HE ARG 11 HE ARG 11 1.155 -7.188 -7.058
94 HH11 ARG 11 HH11 ARG 11 4.356 -6.971 -8.451
95 HH12 ARG 11 HH12 ARG 11 4.047 -8.151 -9.688
96 HH21 ARG 11 HH21 ARG 11 0.724 -8.726 -8.678
97 HH22 ARG 11 HH22 ARG 11 1.953 -9.131 -9.844
98 H GLN 12 HN GLN 12 5.942 -3.421 -5.375
99 HA GLN 12 HA GLN 12 6.723 -2.020 -2.913
100 HB2 GLN 12 HB2 GLN 12 8.329 -2.525 -5.419
101 HB3 GLN 12 HB1 GLN 12 8.907 -1.757 -3.956
102 HG2 GLN 12 HG2 GLN 12 8.513 -3.842 -2.719
103 HG3 GLN 12 HG1 GLN 12 7.993 -4.605 -4.220
104 HE21 GLN 12 HE21 GLN 12 9.595 -6.147 -4.148
105 HE22 GLN 12 HE22 GLN 12 11.275 -5.768 -4.442
106 H PHE 13 HN PHE 13 6.296 0.081 -2.789
107 HA PHE 13 HA PHE 13 6.083 1.635 -5.284
108 HB2 PHE 13 HB2 PHE 13 4.274 1.871 -2.862
109 HB3 PHE 13 HB1 PHE 13 4.260 2.956 -4.257
110 HD1 PHE 13 HD1 PHE 13 3.441 2.203 -6.415
111 HD2 PHE 13 HD2 PHE 13 3.347 -0.335 -3.006
112 HE1 PHE 13 HE1 PHE 13 1.839 0.731 -7.557
113 HE2 PHE 13 HE2 PHE 13 1.744 -1.813 -4.142
114 HZ PHE 13 HZ PHE 13 1.091 -1.348 -6.476
115 H ALA 14 HN ALA 14 6.458 3.902 -5.058
116 HA ALA 14 HA ALA 14 8.820 4.392 -3.526
117 HB1 ALA 14 HB1 ALA 14 8.952 6.436 -4.683
118 HB2 ALA 14 HB2 ALA 14 7.215 6.453 -5.003
119 HB3 ALA 14 HB3 ALA 14 8.259 5.289 -5.833
120 H ASP 15 HN ASP 15 5.465 5.381 -3.240
121 HA ASP 15 HA ASP 15 6.246 7.348 -1.205
122 HB2 ASP 15 HB2 ASP 15 3.825 7.301 -3.018
123 HB3 ASP 15 HB1 ASP 15 4.127 8.495 -1.774
124 HA PRO 16 HA PRO 16 3.907 5.034 1.797
125 HB2 PRO 16 HB2 PRO 16 3.592 7.098 3.568
126 HB3 PRO 16 HB1 PRO 16 5.064 6.128 3.448
127 HG2 PRO 16 HG2 PRO 16 4.475 8.829 2.312
128 HG3 PRO 16 HG1 PRO 16 5.962 8.228 3.071
129 HD2 PRO 16 HD2 PRO 16 5.692 8.443 0.392
130 HD3 PRO 16 HD1 PRO 16 6.663 7.160 1.153
131 H GLY 17 HN GLY 17 3.037 8.194 0.540
132 HA2 GLY 17 HA2 GLY 17 0.340 8.301 1.257
133 HA3 GLY 17 HA1 GLY 17 1.044 9.049 -0.174
134 H ALA 18 HN ALA 18 1.947 6.650 -1.403
135 HA ALA 18 HA ALA 18 -0.497 5.896 -2.682
136 HB1 ALA 18 HB1 ALA 18 1.517 6.121 -4.003
137 HB2 ALA 18 HB2 ALA 18 0.889 4.471 -4.086
138 HB3 ALA 18 HB3 ALA 18 2.287 4.831 -3.073
139 H LEU 19 HN LEU 19 1.507 4.532 -0.168
140 HA LEU 19 HA LEU 19 0.399 1.906 -0.396
141 HB2 LEU 19 HB2 LEU 19 2.288 3.285 1.385
142 HB3 LEU 19 HB1 LEU 19 1.289 2.077 2.186
143 HG LEU 19 HG LEU 19 3.429 1.136 1.461
144 HD11 LEU 19 HD11 LEU 19 1.067 0.106 -0.105
145 HD12 LEU 19 HD12 LEU 19 1.480 -0.316 1.557
146 HD13 LEU 19 HD13 LEU 19 2.548 -0.793 0.236
147 HD21 LEU 19 HD21 LEU 19 2.503 1.778 -1.337
148 HD22 LEU 19 HD22 LEU 19 3.973 0.909 -0.885
149 HD23 LEU 19 HD23 LEU 19 3.792 2.614 -0.471
150 H GLN 20 HN GLN 20 -0.327 4.871 1.220
151 HA GLN 20 HA GLN 20 -2.289 3.786 2.887
152 HB2 GLN 20 HB2 GLN 20 -1.962 6.608 1.900
153 HB3 GLN 20 HB1 GLN 20 -3.081 6.131 3.169
154 HG2 GLN 20 HG2 GLN 20 -1.310 5.559 4.634
155 HG3 GLN 20 HG1 GLN 20 -0.116 5.689 3.343
156 HE21 GLN 20 HE21 GLN 20 -2.153 7.433 5.556
157 HE22 GLN 20 HE22 GLN 20 -1.397 8.979 5.345
158 H ARG 21 HN ARG 21 -2.325 5.299 -0.190
159 HA ARG 21 HA ARG 21 -5.081 5.051 -0.754
160 HB2 ARG 21 HB2 ARG 21 -2.788 6.015 -2.070
161 HB3 ARG 21 HB1 ARG 21 -3.402 4.727 -3.095
162 HG2 ARG 21 HG2 ARG 21 -4.325 6.810 -3.815
163 HG3 ARG 21 HG1 ARG 21 -5.613 5.843 -3.090
164 HD2 ARG 21 HD2 ARG 21 -5.524 7.117 -1.072
165 HD3 ARG 21 HD1 ARG 21 -4.065 7.953 -1.602
166 HE ARG 21 HE ARG 21 -6.322 8.327 -3.357
167 HH11 ARG 21 HH11 ARG 21 -4.667 9.484 -0.487
168 HH12 ARG 21 HH12 ARG 21 -5.331 11.088 -0.603
169 HH21 ARG 21 HH21 ARG 21 -7.169 10.442 -3.515
170 HH22 ARG 21 HH22 ARG 21 -6.716 11.643 -2.345
171 H HIS 22 HN HIS 22 -2.318 2.968 -0.927
172 HA HIS 22 HA HIS 22 -3.355 1.015 -2.708
173 HB2 HIS 22 HB2 HIS 22 -0.930 1.437 -2.001
174 HB3 HIS 22 HB1 HIS 22 -1.302 0.481 -0.577
175 HD1 HIS 22 HD1 HIS 22 -1.070 0.139 -4.352
176 HD2 HIS 22 HD2 HIS 22 -1.279 -2.183 -0.912
177 HE1 HIS 22 HE1 HIS 22 -0.645 -2.247 -5.076
178 H VAL 23 HN VAL 23 -2.965 1.038 0.817
179 HA VAL 23 HA VAL 23 -3.977 -1.543 1.106
180 HB VAL 23 HB VAL 23 -3.815 0.653 3.179
181 HG11 VAL 23 HG11 VAL 23 -5.404 -1.049 3.881
182 HG12 VAL 23 HG12 VAL 23 -3.927 -1.157 4.840
183 HG13 VAL 23 HG13 VAL 23 -4.224 -2.315 3.542
184 HG21 VAL 23 HG21 VAL 23 -1.767 -0.486 3.890
185 HG22 VAL 23 HG22 VAL 23 -1.654 0.058 2.216
186 HG23 VAL 23 HG23 VAL 23 -1.953 -1.644 2.573
187 H ARG 24 HN ARG 24 -5.502 1.631 1.151
188 HA ARG 24 HA ARG 24 -8.062 0.713 1.937
189 HB2 ARG 24 HB2 ARG 24 -7.224 3.208 0.468
190 HB3 ARG 24 HB1 ARG 24 -8.876 2.887 0.985
191 HG2 ARG 24 HG2 ARG 24 -7.781 2.531 3.318
192 HG3 ARG 24 HG1 ARG 24 -6.459 3.470 2.628
193 HD2 ARG 24 HD2 ARG 24 -7.912 5.319 2.186
194 HD3 ARG 24 HD1 ARG 24 -9.333 4.378 2.638
195 HE ARG 24 HE ARG 24 -7.221 4.946 4.609
196 HH11 ARG 24 HH11 ARG 24 -10.551 5.224 3.552
197 HH12 ARG 24 HH12 ARG 24 -11.128 5.811 5.078
198 HH21 ARG 24 HH21 ARG 24 -7.977 5.705 6.631
199 HH22 ARG 24 HH22 ARG 24 -9.664 6.073 6.838
200 H ILE 25 HN ILE 25 -6.365 0.592 -1.074
201 HA ILE 25 HA ILE 25 -8.571 0.220 -2.801
202 HB ILE 25 HB ILE 25 -5.723 -0.773 -2.951
203 HG12 ILE 25 HG12 ILE 25 -6.038 1.641 -3.197
204 HG13 ILE 25 HG11 ILE 25 -5.460 0.917 -4.683
205 HG21 ILE 25 HG21 ILE 25 -6.150 -1.368 -5.264
206 HG22 ILE 25 HG22 ILE 25 -7.855 -0.989 -5.045
207 HG23 ILE 25 HG23 ILE 25 -7.128 -2.324 -4.153
208 HD11 ILE 25 HD11 ILE 25 -7.733 0.992 -5.584
209 HD12 ILE 25 HD12 ILE 25 -7.143 2.592 -5.133
210 HD13 ILE 25 HD13 ILE 25 -8.290 1.750 -4.091
211 H HIS 26 HN HIS 26 -6.520 -2.051 -0.992
212 HA HIS 26 HA HIS 26 -7.825 -4.408 -1.810
213 HB2 HIS 26 HB2 HIS 26 -6.128 -3.742 0.580
214 HB3 HIS 26 HB1 HIS 26 -6.871 -5.325 0.409
215 HD1 HIS 26 HD1 HIS 26 -6.277 -5.786 -2.648
216 HD2 HIS 26 HD2 HIS 26 -3.566 -4.344 0.162
217 HE1 HIS 26 HE1 HIS 26 -3.955 -6.366 -3.515
218 H THR 27 HN THR 27 -8.210 -2.436 1.129
219 HA THR 27 HA THR 27 -10.219 -4.226 2.127
220 HB THR 27 HB THR 27 -8.596 -3.079 3.620
221 HG1 THR 27 HG1 THR 27 -10.544 -2.254 5.039
222 HG21 THR 27 HG21 THR 27 -10.291 -0.642 3.064
223 HG22 THR 27 HG22 THR 27 -8.618 -0.871 2.554
224 HG23 THR 27 HG23 THR 27 -9.010 -0.760 4.271
225 H GLY 28 HN GLY 28 -10.248 -1.460 0.130
226 HA2 GLY 28 HA2 GLY 28 -12.022 -0.517 -0.998
227 HA3 GLY 28 HA1 GLY 28 -13.060 -1.725 -0.257
228 H GLU 29 HN GLU 29 -11.285 -0.027 2.041
229 HA GLU 29 HA GLU 29 -13.665 1.383 2.913
230 HB2 GLU 29 HB2 GLU 29 -10.922 1.132 4.142
231 HB3 GLU 29 HB1 GLU 29 -12.260 2.000 4.884
232 HG2 GLU 29 HG2 GLU 29 -13.552 -0.051 4.981
233 HG3 GLU 29 HG1 GLU 29 -12.232 -0.925 4.198
234 H LYS 30 HN LYS 30 -11.701 2.155 0.595
235 HA LYS 30 HA LYS 30 -10.888 4.804 1.333
236 HB2 LYS 30 HB2 LYS 30 -10.448 5.059 -1.142
237 HB3 LYS 30 HB1 LYS 30 -9.577 3.754 -0.352
238 HG2 LYS 30 HG2 LYS 30 -11.066 2.123 -1.259
239 HG3 LYS 30 HG1 LYS 30 -12.120 3.382 -1.909
240 HD2 LYS 30 HD2 LYS 30 -10.281 4.132 -3.363
241 HD3 LYS 30 HD1 LYS 30 -9.273 2.823 -2.741
242 HE2 LYS 30 HE2 LYS 30 -10.280 2.242 -4.897
243 HE3 LYS 30 HE1 LYS 30 -10.844 1.181 -3.606
244 HZ1 LYS 30 HZ1 LYS 30 -12.330 3.506 -4.714
245 HZ2 LYS 30 HZ2 LYS 30 -12.879 2.489 -3.474
246 HZ3 LYS 30 HZ3 LYS 30 -12.656 1.872 -5.037
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 18.056 2.398 -2.822
2 H2 MET 1 HT2 MET 1 17.623 3.724 -1.861
3 H3 MET 1 HT3 MET 1 17.939 3.945 -3.516
4 HA MET 1 HA MET 1 15.589 3.997 -3.156
5 HB2 MET 1 HB2 MET 1 16.544 1.421 -4.425
6 HB3 MET 1 HB1 MET 1 14.912 2.051 -4.585
7 HG2 MET 1 HG2 MET 1 17.410 3.453 -5.504
8 HG3 MET 1 HG1 MET 1 16.330 2.516 -6.535
9 HE1 MET 1 HE1 MET 1 15.640 6.187 -7.671
10 HE2 MET 1 HE2 MET 1 16.015 4.547 -8.203
11 HE3 MET 1 HE3 MET 1 17.174 5.442 -7.219
12 H LYS 2 HN LYS 2 14.814 3.832 -1.053
13 HA LYS 2 HA LYS 2 14.158 1.069 -0.252
14 HB2 LYS 2 HB2 LYS 2 13.842 1.938 2.051
15 HB3 LYS 2 HB1 LYS 2 15.491 2.108 1.474
16 HG2 LYS 2 HG2 LYS 2 15.341 4.414 1.334
17 HG3 LYS 2 HG1 LYS 2 13.576 4.396 1.246
18 HD2 LYS 2 HD2 LYS 2 13.512 3.602 3.594
19 HD3 LYS 2 HD1 LYS 2 15.269 3.753 3.662
20 HE2 LYS 2 HE2 LYS 2 15.149 6.117 3.351
21 HE3 LYS 2 HE1 LYS 2 13.422 6.040 3.002
22 HZ1 LYS 2 HZ1 LYS 2 14.629 5.285 5.611
23 HZ2 LYS 2 HZ2 LYS 2 12.977 5.414 5.251
24 HZ3 LYS 2 HZ3 LYS 2 13.951 6.803 5.280
25 HA PRO 3 HA PRO 3 10.182 2.958 -1.624
26 HB2 PRO 3 HB2 PRO 3 9.681 0.147 -2.381
27 HB3 PRO 3 HB1 PRO 3 9.505 1.623 -3.346
28 HG2 PRO 3 HG2 PRO 3 11.487 -0.057 -3.837
29 HG3 PRO 3 HG1 PRO 3 11.742 1.698 -3.865
30 HD2 PRO 3 HD2 PRO 3 12.378 -0.246 -1.656
31 HD3 PRO 3 HD1 PRO 3 13.422 1.006 -2.373
32 H TYR 4 HN TYR 4 7.986 2.079 -1.282
33 HA TYR 4 HA TYR 4 7.810 0.755 1.340
34 HB2 TYR 4 HB2 TYR 4 6.019 2.879 0.102
35 HB3 TYR 4 HB1 TYR 4 5.637 1.988 1.579
36 HD1 TYR 4 HD1 TYR 4 8.064 4.340 0.075
37 HD2 TYR 4 HD2 TYR 4 6.588 2.608 3.671
38 HE1 TYR 4 HE1 TYR 4 9.330 5.992 1.384
39 HE2 TYR 4 HE2 TYR 4 7.850 4.258 4.989
40 HH TYR 4 HH TYR 4 9.819 5.708 4.742
41 H VAL 5 HN VAL 5 6.951 -1.212 1.245
42 HA VAL 5 HA VAL 5 5.652 -1.970 -1.257
43 HB VAL 5 HB VAL 5 6.218 -4.246 -0.737
44 HG11 VAL 5 HG11 VAL 5 8.596 -2.467 -0.241
45 HG12 VAL 5 HG12 VAL 5 7.912 -2.834 -1.823
46 HG13 VAL 5 HG13 VAL 5 8.634 -4.120 -0.853
47 HG21 VAL 5 HG21 VAL 5 7.348 -3.188 1.850
48 HG22 VAL 5 HG22 VAL 5 7.529 -4.840 1.259
49 HG23 VAL 5 HG23 VAL 5 5.929 -4.220 1.675
50 H CYS 6 HN CYS 6 3.783 -3.184 -1.295
51 HA CYS 6 HA CYS 6 1.885 -2.651 0.745
52 HB2 CYS 6 HB2 CYS 6 1.280 -2.945 -1.641
53 HB3 CYS 6 HB1 CYS 6 1.708 -4.645 -1.515
54 H ILE 7 HN ILE 7 1.612 -3.686 2.558
55 HA ILE 7 HA ILE 7 3.040 -5.991 3.297
56 HB ILE 7 HB ILE 7 0.850 -4.351 4.526
57 HG12 ILE 7 HG12 ILE 7 2.579 -4.035 6.287
58 HG13 ILE 7 HG11 ILE 7 3.676 -5.046 5.353
59 HG21 ILE 7 HG21 ILE 7 1.918 -6.896 5.722
60 HG22 ILE 7 HG22 ILE 7 0.278 -6.630 5.131
61 HG23 ILE 7 HG23 ILE 7 0.869 -5.729 6.527
62 HD11 ILE 7 HD11 ILE 7 3.524 -3.422 3.501
63 HD12 ILE 7 HD12 ILE 7 4.208 -2.744 4.982
64 HD13 ILE 7 HD13 ILE 7 2.537 -2.389 4.537
65 H HIS 8 HN HIS 8 -0.020 -5.541 1.735
66 HA HIS 8 HA HIS 8 -1.024 -8.100 2.660
67 HB2 HIS 8 HB2 HIS 8 -2.430 -5.967 2.435
68 HB3 HIS 8 HB1 HIS 8 -2.437 -6.312 0.701
69 HD1 HIS 8 HD1 HIS 8 -3.234 -8.217 3.908
70 HD2 HIS 8 HD2 HIS 8 -4.561 -7.834 -0.015
71 HE1 HIS 8 HE1 HIS 8 -5.272 -9.685 3.732
72 HE2 HIS 8 HE2 HIS 8 -6.143 -9.319 1.397
73 H CYS 9 HN CYS 9 0.249 -6.725 -0.365
74 HA CYS 9 HA CYS 9 -0.049 -9.412 -1.484
75 HB2 CYS 9 HB2 CYS 9 -0.764 -8.556 -3.568
76 HB3 CYS 9 HB1 CYS 9 -1.777 -7.833 -2.335
77 H GLN 10 HN GLN 10 2.106 -7.132 -0.604
78 HA GLN 10 HA GLN 10 4.353 -7.024 -0.760
79 HB2 GLN 10 HB2 GLN 10 4.046 -9.586 -2.328
80 HB3 GLN 10 HB1 GLN 10 5.590 -8.914 -1.804
81 HG2 GLN 10 HG2 GLN 10 4.796 -9.066 0.540
82 HG3 GLN 10 HG1 GLN 10 3.344 -9.876 -0.047
83 HE21 GLN 10 HE21 GLN 10 4.870 -11.263 -2.163
84 HE22 GLN 10 HE22 GLN 10 5.720 -12.541 -1.349
85 H ARG 11 HN ARG 11 3.009 -5.409 -2.493
86 HA ARG 11 HA ARG 11 4.733 -5.425 -4.862
87 HB2 ARG 11 HB2 ARG 11 1.972 -4.281 -4.429
88 HB3 ARG 11 HB1 ARG 11 2.971 -3.894 -5.826
89 HG2 ARG 11 HG2 ARG 11 3.001 -6.232 -6.479
90 HG3 ARG 11 HG1 ARG 11 2.059 -6.652 -5.049
91 HD2 ARG 11 HD2 ARG 11 0.234 -5.204 -5.885
92 HD3 ARG 11 HD1 ARG 11 1.172 -4.920 -7.352
93 HE ARG 11 HE ARG 11 0.953 -7.681 -7.002
94 HH11 ARG 11 HH11 ARG 11 -1.165 -4.959 -7.634
95 HH12 ARG 11 HH12 ARG 11 -2.317 -5.905 -8.536
96 HH21 ARG 11 HH21 ARG 11 -0.528 -8.917 -8.217
97 HH22 ARG 11 HH22 ARG 11 -1.942 -8.154 -8.891
98 H GLN 12 HN GLN 12 6.151 -3.787 -5.073
99 HA GLN 12 HA GLN 12 6.335 -1.977 -2.820
100 HB2 GLN 12 HB2 GLN 12 8.587 -1.529 -3.643
101 HB3 GLN 12 HB1 GLN 12 8.304 -3.251 -3.482
102 HG2 GLN 12 HG2 GLN 12 7.885 -3.362 -5.907
103 HG3 GLN 12 HG1 GLN 12 8.299 -1.655 -6.014
104 HE21 GLN 12 HE21 GLN 12 9.502 -4.862 -5.413
105 HE22 GLN 12 HE22 GLN 12 11.190 -4.476 -5.621
106 H PHE 13 HN PHE 13 6.068 0.147 -2.850
107 HA PHE 13 HA PHE 13 5.723 1.491 -5.449
108 HB2 PHE 13 HB2 PHE 13 4.081 1.918 -2.937
109 HB3 PHE 13 HB1 PHE 13 3.999 2.941 -4.377
110 HD1 PHE 13 HD1 PHE 13 2.965 2.153 -6.405
111 HD2 PHE 13 HD2 PHE 13 3.174 -0.310 -2.947
112 HE1 PHE 13 HE1 PHE 13 1.266 0.659 -7.369
113 HE2 PHE 13 HE2 PHE 13 1.478 -1.808 -3.903
114 HZ PHE 13 HZ PHE 13 0.604 -1.378 -6.176
115 H ALA 14 HN ALA 14 5.952 3.924 -5.216
116 HA ALA 14 HA ALA 14 8.534 4.395 -4.115
117 HB1 ALA 14 HB1 ALA 14 8.352 6.593 -5.029
118 HB2 ALA 14 HB2 ALA 14 6.601 6.447 -5.163
119 HB3 ALA 14 HB3 ALA 14 7.652 5.459 -6.186
120 H ASP 15 HN ASP 15 5.275 5.381 -3.141
121 HA ASP 15 HA ASP 15 6.490 6.950 -0.966
122 HB2 ASP 15 HB2 ASP 15 3.937 7.529 -2.489
123 HB3 ASP 15 HB1 ASP 15 4.555 8.462 -1.140
124 HA PRO 16 HA PRO 16 4.084 4.560 1.900
125 HB2 PRO 16 HB2 PRO 16 3.985 6.371 3.938
126 HB3 PRO 16 HB1 PRO 16 5.417 5.402 3.575
127 HG2 PRO 16 HG2 PRO 16 4.811 8.238 2.846
128 HG3 PRO 16 HG1 PRO 16 6.333 7.526 3.414
129 HD2 PRO 16 HD2 PRO 16 5.867 8.087 0.806
130 HD3 PRO 16 HD1 PRO 16 6.885 6.725 1.323
131 H GLY 17 HN GLY 17 3.266 7.819 0.958
132 HA2 GLY 17 HA2 GLY 17 0.598 7.874 1.899
133 HA3 GLY 17 HA1 GLY 17 1.255 8.860 0.597
134 H ALA 18 HN ALA 18 2.083 6.664 -1.055
135 HA ALA 18 HA ALA 18 -0.386 6.117 -2.368
136 HB1 ALA 18 HB1 ALA 18 1.650 6.338 -3.664
137 HB2 ALA 18 HB2 ALA 18 0.925 4.744 -3.895
138 HB3 ALA 18 HB3 ALA 18 2.336 4.928 -2.854
139 H LEU 19 HN LEU 19 1.549 4.465 0.002
140 HA LEU 19 HA LEU 19 0.391 1.906 -0.381
141 HB2 LEU 19 HB2 LEU 19 2.158 3.192 1.601
142 HB3 LEU 19 HB1 LEU 19 1.135 1.910 2.240
143 HG LEU 19 HG LEU 19 3.317 1.043 1.606
144 HD11 LEU 19 HD11 LEU 19 1.176 0.119 -0.300
145 HD12 LEU 19 HD12 LEU 19 1.325 -0.383 1.382
146 HD13 LEU 19 HD13 LEU 19 2.588 -0.798 0.225
147 HD21 LEU 19 HD21 LEU 19 2.636 1.885 -1.204
148 HD22 LEU 19 HD22 LEU 19 4.100 1.053 -0.664
149 HD23 LEU 19 HD23 LEU 19 3.788 2.714 -0.155
150 H GLN 20 HN GLN 20 -0.401 4.806 1.336
151 HA GLN 20 HA GLN 20 -2.411 3.626 2.867
152 HB2 GLN 20 HB2 GLN 20 -2.081 6.507 2.076
153 HB3 GLN 20 HB1 GLN 20 -3.239 5.937 3.267
154 HG2 GLN 20 HG2 GLN 20 -0.245 5.716 3.486
155 HG3 GLN 20 HG1 GLN 20 -1.260 6.896 4.313
156 HE21 GLN 20 HE21 GLN 20 0.526 4.952 5.460
157 HE22 GLN 20 HE22 GLN 20 -0.437 3.933 6.477
158 H ARG 21 HN ARG 21 -2.357 5.300 -0.119
159 HA ARG 21 HA ARG 21 -5.123 5.139 -0.722
160 HB2 ARG 21 HB2 ARG 21 -3.021 6.384 -1.859
161 HB3 ARG 21 HB1 ARG 21 -3.118 4.988 -2.914
162 HG2 ARG 21 HG2 ARG 21 -5.428 6.833 -2.361
163 HG3 ARG 21 HG1 ARG 21 -4.336 6.988 -3.737
164 HD2 ARG 21 HD2 ARG 21 -4.987 4.785 -4.527
165 HD3 ARG 21 HD1 ARG 21 -6.037 4.571 -3.126
166 HE ARG 21 HE ARG 21 -6.795 6.926 -4.444
167 HH11 ARG 21 HH11 ARG 21 -6.785 3.479 -5.045
168 HH12 ARG 21 HH12 ARG 21 -8.204 3.519 -6.049
169 HH21 ARG 21 HH21 ARG 21 -8.645 6.985 -5.752
170 HH22 ARG 21 HH22 ARG 21 -9.248 5.526 -6.481
171 H HIS 22 HN HIS 22 -2.380 3.052 -1.006
172 HA HIS 22 HA HIS 22 -3.484 1.159 -2.831
173 HB2 HIS 22 HB2 HIS 22 -1.050 1.458 -2.240
174 HB3 HIS 22 HB1 HIS 22 -1.377 0.601 -0.751
175 HD1 HIS 22 HD1 HIS 22 -1.495 0.025 -4.510
176 HD2 HIS 22 HD2 HIS 22 -1.329 -2.061 -0.919
177 HE1 HIS 22 HE1 HIS 22 -1.216 -2.413 -5.115
178 H VAL 23 HN VAL 23 -3.229 1.259 0.692
179 HA VAL 23 HA VAL 23 -4.170 -1.352 1.004
180 HB VAL 23 HB VAL 23 -4.153 0.910 3.012
181 HG11 VAL 23 HG11 VAL 23 -4.639 -2.038 3.451
182 HG12 VAL 23 HG12 VAL 23 -5.815 -0.741 3.666
183 HG13 VAL 23 HG13 VAL 23 -4.407 -0.841 4.724
184 HG21 VAL 23 HG21 VAL 23 -2.306 -1.455 2.645
185 HG22 VAL 23 HG22 VAL 23 -2.176 -0.220 3.899
186 HG23 VAL 23 HG23 VAL 23 -1.942 0.215 2.204
187 H ARG 24 HN ARG 24 -5.770 1.776 0.818
188 HA ARG 24 HA ARG 24 -8.379 0.890 1.410
189 HB2 ARG 24 HB2 ARG 24 -7.528 3.138 -0.414
190 HB3 ARG 24 HB1 ARG 24 -9.097 2.952 0.363
191 HG2 ARG 24 HG2 ARG 24 -6.473 3.341 1.777
192 HG3 ARG 24 HG1 ARG 24 -7.689 4.575 1.513
193 HD2 ARG 24 HD2 ARG 24 -7.895 2.106 3.213
194 HD3 ARG 24 HD1 ARG 24 -7.965 3.785 3.740
195 HE ARG 24 HE ARG 24 -10.056 3.059 1.893
196 HH11 ARG 24 HH11 ARG 24 -9.098 3.154 5.261
197 HH12 ARG 24 HH12 ARG 24 -10.728 3.085 5.852
198 HH21 ARG 24 HH21 ARG 24 -12.185 2.976 2.661
199 HH22 ARG 24 HH22 ARG 24 -12.491 3.014 4.380
200 H ILE 25 HN ILE 25 -6.389 0.458 -1.385
201 HA ILE 25 HA ILE 25 -8.432 -0.082 -3.274
202 HB ILE 25 HB ILE 25 -5.544 -0.939 -3.112
203 HG12 ILE 25 HG12 ILE 25 -6.963 1.019 -4.926
204 HG13 ILE 25 HG11 ILE 25 -6.006 1.441 -3.519
205 HG21 ILE 25 HG21 ILE 25 -5.768 -1.650 -5.446
206 HG22 ILE 25 HG22 ILE 25 -7.511 -1.423 -5.326
207 HG23 ILE 25 HG23 ILE 25 -6.708 -2.641 -4.333
208 HD11 ILE 25 HD11 ILE 25 -4.761 1.766 -5.577
209 HD12 ILE 25 HD12 ILE 25 -4.971 0.061 -5.976
210 HD13 ILE 25 HD13 ILE 25 -4.016 0.529 -4.567
211 H HIS 26 HN HIS 26 -6.456 -2.180 -1.168
212 HA HIS 26 HA HIS 26 -7.854 -4.571 -1.768
213 HB2 HIS 26 HB2 HIS 26 -6.227 -3.752 0.637
214 HB3 HIS 26 HB1 HIS 26 -6.979 -5.333 0.508
215 HD1 HIS 26 HD1 HIS 26 -6.241 -6.246 -2.292
216 HD2 HIS 26 HD2 HIS 26 -3.644 -4.124 0.179
217 HE1 HIS 26 HE1 HIS 26 -3.880 -6.759 -3.106
218 H THR 27 HN THR 27 -8.223 -2.100 0.708
219 HA THR 27 HA THR 27 -10.573 -3.352 1.831
220 HB THR 27 HB THR 27 -9.715 -0.523 2.413
221 HG1 THR 27 HG1 THR 27 -7.819 -1.815 2.575
222 HG21 THR 27 HG21 THR 27 -10.886 -2.725 4.118
223 HG22 THR 27 HG22 THR 27 -11.789 -1.379 3.422
224 HG23 THR 27 HG23 THR 27 -10.555 -1.077 4.647
225 H GLY 28 HN GLY 28 -11.079 -3.107 -0.761
226 HA2 GLY 28 HA2 GLY 28 -12.227 -0.545 -1.449
227 HA3 GLY 28 HA1 GLY 28 -12.195 -1.984 -2.456
228 H GLU 29 HN GLU 29 -13.417 -1.921 0.813
229 HA GLU 29 HA GLU 29 -16.035 -2.736 -0.096
230 HB2 GLU 29 HB2 GLU 29 -16.541 -2.975 2.305
231 HB3 GLU 29 HB1 GLU 29 -15.090 -3.854 1.841
232 HG2 GLU 29 HG2 GLU 29 -13.704 -2.100 2.725
233 HG3 GLU 29 HG1 GLU 29 -15.129 -1.146 3.121
234 H LYS 30 HN LYS 30 -14.399 0.091 0.865
235 HA LYS 30 HA LYS 30 -16.906 1.616 0.744
236 HB2 LYS 30 HB2 LYS 30 -14.591 2.155 2.618
237 HB3 LYS 30 HB1 LYS 30 -16.021 3.161 2.441
238 HG2 LYS 30 HG2 LYS 30 -17.401 1.253 3.209
239 HG3 LYS 30 HG1 LYS 30 -15.914 0.348 3.497
240 HD2 LYS 30 HD2 LYS 30 -16.680 1.321 5.569
241 HD3 LYS 30 HD1 LYS 30 -15.186 2.112 5.063
242 HE2 LYS 30 HE2 LYS 30 -16.843 3.721 5.887
243 HE3 LYS 30 HE1 LYS 30 -16.452 3.991 4.189
244 HZ1 LYS 30 HZ1 LYS 30 -18.822 2.443 5.084
245 HZ2 LYS 30 HZ2 LYS 30 -18.488 3.022 3.525
246 HZ3 LYS 30 HZ3 LYS 30 -18.868 4.109 4.763
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 18.746 2.155 -0.521
2 H2 MET 1 HT2 MET 1 18.241 1.091 -1.741
3 H3 MET 1 HT3 MET 1 18.089 0.645 -0.113
4 HA MET 1 HA MET 1 16.556 2.539 0.206
5 HB2 MET 1 HB2 MET 1 16.974 2.679 -2.762
6 HB3 MET 1 HB1 MET 1 15.449 3.199 -2.058
7 HG2 MET 1 HG2 MET 1 18.161 4.293 -1.353
8 HG3 MET 1 HG1 MET 1 16.994 5.053 -2.430
9 HE1 MET 1 HE1 MET 1 14.233 4.461 -0.976
10 HE2 MET 1 HE2 MET 1 14.653 6.044 -1.633
11 HE3 MET 1 HE3 MET 1 14.055 5.904 0.019
12 H LYS 2 HN LYS 2 15.385 0.929 1.113
13 HA LYS 2 HA LYS 2 13.941 -0.943 -0.557
14 HB2 LYS 2 HB2 LYS 2 13.880 -0.361 2.406
15 HB3 LYS 2 HB1 LYS 2 12.801 -1.517 1.640
16 HG2 LYS 2 HG2 LYS 2 15.806 -1.671 1.700
17 HG3 LYS 2 HG1 LYS 2 14.691 -2.624 2.681
18 HD2 LYS 2 HD2 LYS 2 13.714 -3.499 0.540
19 HD3 LYS 2 HD1 LYS 2 15.036 -2.701 -0.311
20 HE2 LYS 2 HE2 LYS 2 15.306 -4.834 1.801
21 HE3 LYS 2 HE1 LYS 2 15.530 -5.053 0.066
22 HZ1 LYS 2 HZ1 LYS 2 17.632 -4.815 1.244
23 HZ2 LYS 2 HZ2 LYS 2 17.172 -3.280 1.797
24 HZ3 LYS 2 HZ3 LYS 2 17.406 -3.549 0.135
25 HA PRO 3 HA PRO 3 10.795 2.195 -1.218
26 HB2 PRO 3 HB2 PRO 3 9.200 0.657 -2.803
27 HB3 PRO 3 HB1 PRO 3 10.671 1.452 -3.398
28 HG2 PRO 3 HG2 PRO 3 10.260 -1.385 -2.537
29 HG3 PRO 3 HG1 PRO 3 11.150 -0.750 -3.931
30 HD2 PRO 3 HD2 PRO 3 12.388 -1.551 -1.659
31 HD3 PRO 3 HD1 PRO 3 13.010 -0.230 -2.669
32 H TYR 4 HN TYR 4 8.314 2.080 -1.110
33 HA TYR 4 HA TYR 4 7.666 0.716 1.378
34 HB2 TYR 4 HB2 TYR 4 6.153 2.868 -0.152
35 HB3 TYR 4 HB1 TYR 4 5.662 2.174 1.395
36 HD1 TYR 4 HD1 TYR 4 8.093 4.354 -0.265
37 HD2 TYR 4 HD2 TYR 4 6.814 2.745 3.454
38 HE1 TYR 4 HE1 TYR 4 9.433 6.040 0.917
39 HE2 TYR 4 HE2 TYR 4 8.156 4.425 4.647
40 HH TYR 4 HH TYR 4 9.459 7.155 3.103
41 H VAL 5 HN VAL 5 7.078 -1.309 1.050
42 HA VAL 5 HA VAL 5 5.563 -1.998 -1.336
43 HB VAL 5 HB VAL 5 6.070 -4.313 -0.805
44 HG11 VAL 5 HG11 VAL 5 8.519 -2.563 -0.638
45 HG12 VAL 5 HG12 VAL 5 7.673 -3.014 -2.119
46 HG13 VAL 5 HG13 VAL 5 8.479 -4.252 -1.154
47 HG21 VAL 5 HG21 VAL 5 7.556 -4.901 1.054
48 HG22 VAL 5 HG22 VAL 5 6.045 -4.197 1.628
49 HG23 VAL 5 HG23 VAL 5 7.518 -3.227 1.608
50 H CYS 6 HN CYS 6 3.657 -3.097 -1.301
51 HA CYS 6 HA CYS 6 1.806 -2.488 0.739
52 HB2 CYS 6 HB2 CYS 6 1.188 -2.878 -1.620
53 HB3 CYS 6 HB1 CYS 6 1.618 -4.571 -1.442
54 H ILE 7 HN ILE 7 1.395 -3.481 2.580
55 HA ILE 7 HA ILE 7 2.949 -5.658 3.468
56 HB ILE 7 HB ILE 7 0.414 -4.702 4.785
57 HG12 ILE 7 HG12 ILE 7 1.538 -2.665 4.291
58 HG13 ILE 7 HG11 ILE 7 1.926 -3.035 5.968
59 HG21 ILE 7 HG21 ILE 7 3.019 -5.779 5.840
60 HG22 ILE 7 HG22 ILE 7 1.472 -6.622 5.789
61 HG23 ILE 7 HG23 ILE 7 1.677 -5.218 6.835
62 HD11 ILE 7 HD11 ILE 7 4.103 -3.873 5.287
63 HD12 ILE 7 HD12 ILE 7 3.860 -2.217 4.726
64 HD13 ILE 7 HD13 ILE 7 3.697 -3.566 3.596
65 H HIS 8 HN HIS 8 -0.030 -5.448 1.800
66 HA HIS 8 HA HIS 8 -0.986 -7.998 2.833
67 HB2 HIS 8 HB2 HIS 8 -2.458 -5.919 2.434
68 HB3 HIS 8 HB1 HIS 8 -2.370 -6.355 0.724
69 HD1 HIS 8 HD1 HIS 8 -4.900 -6.412 2.808
70 HD2 HIS 8 HD2 HIS 8 -2.841 -9.637 1.166
71 HE1 HIS 8 HE1 HIS 8 -6.499 -8.352 2.876
72 HE2 HIS 8 HE2 HIS 8 -5.160 -10.331 2.079
73 H CYS 9 HN CYS 9 0.286 -6.665 -0.220
74 HA CYS 9 HA CYS 9 0.060 -9.378 -1.307
75 HB2 CYS 9 HB2 CYS 9 -0.757 -8.559 -3.363
76 HB3 CYS 9 HB1 CYS 9 -1.718 -7.787 -2.120
77 H GLN 10 HN GLN 10 2.141 -6.980 -0.507
78 HA GLN 10 HA GLN 10 4.363 -6.705 -0.765
79 HB2 GLN 10 HB2 GLN 10 4.131 -9.352 -2.189
80 HB3 GLN 10 HB1 GLN 10 5.670 -8.546 -1.888
81 HG2 GLN 10 HG2 GLN 10 5.233 -8.632 0.521
82 HG3 GLN 10 HG1 GLN 10 3.709 -9.464 0.210
83 HE21 GLN 10 HE21 GLN 10 4.849 -10.991 -2.012
84 HE22 GLN 10 HE22 GLN 10 5.839 -12.222 -1.287
85 H ARG 11 HN ARG 11 2.787 -5.287 -2.525
86 HA ARG 11 HA ARG 11 4.250 -5.295 -5.049
87 HB2 ARG 11 HB2 ARG 11 1.723 -3.969 -4.098
88 HB3 ARG 11 HB1 ARG 11 2.555 -3.393 -5.543
89 HG2 ARG 11 HG2 ARG 11 1.787 -6.272 -5.223
90 HG3 ARG 11 HG1 ARG 11 0.649 -5.071 -5.834
91 HD2 ARG 11 HD2 ARG 11 3.380 -5.538 -7.012
92 HD3 ARG 11 HD1 ARG 11 1.917 -6.327 -7.598
93 HE ARG 11 HE ARG 11 1.294 -3.675 -7.628
94 HH11 ARG 11 HH11 ARG 11 3.857 -5.603 -9.036
95 HH12 ARG 11 HH12 ARG 11 4.054 -4.573 -10.418
96 HH21 ARG 11 HH21 ARG 11 1.530 -2.324 -9.452
97 HH22 ARG 11 HH22 ARG 11 2.716 -2.706 -10.665
98 H GLN 12 HN GLN 12 5.614 -3.627 -5.649
99 HA GLN 12 HA GLN 12 6.689 -2.131 -3.398
100 HB2 GLN 12 HB2 GLN 12 7.711 -2.471 -6.219
101 HB3 GLN 12 HB1 GLN 12 8.588 -1.729 -4.895
102 HG2 GLN 12 HG2 GLN 12 8.738 -3.799 -3.730
103 HG3 GLN 12 HG1 GLN 12 7.647 -4.577 -4.874
104 HE21 GLN 12 HE21 GLN 12 10.390 -5.278 -4.105
105 HE22 GLN 12 HE22 GLN 12 11.298 -5.305 -5.586
106 H PHE 13 HN PHE 13 6.259 -0.042 -3.065
107 HA PHE 13 HA PHE 13 5.651 1.656 -5.385
108 HB2 PHE 13 HB2 PHE 13 4.173 1.601 -2.742
109 HB3 PHE 13 HB1 PHE 13 4.028 2.915 -3.922
110 HD1 PHE 13 HD1 PHE 13 3.094 2.461 -6.153
111 HD2 PHE 13 HD2 PHE 13 3.064 -0.464 -3.069
112 HE1 PHE 13 HE1 PHE 13 1.403 1.177 -7.393
113 HE2 PHE 13 HE2 PHE 13 1.374 -1.752 -4.300
114 HZ PHE 13 HZ PHE 13 0.539 -0.935 -6.462
115 H ALA 14 HN ALA 14 5.871 4.002 -4.866
116 HA ALA 14 HA ALA 14 8.570 4.299 -3.850
117 HB1 ALA 14 HB1 ALA 14 6.803 6.406 -5.059
118 HB2 ALA 14 HB2 ALA 14 7.758 5.269 -6.017
119 HB3 ALA 14 HB3 ALA 14 8.565 6.410 -4.940
120 H ASP 15 HN ASP 15 5.346 5.191 -2.917
121 HA ASP 15 HA ASP 15 6.430 6.994 -0.858
122 HB2 ASP 15 HB2 ASP 15 3.902 7.341 -2.485
123 HB3 ASP 15 HB1 ASP 15 4.415 8.379 -1.171
124 HA PRO 16 HA PRO 16 4.009 4.644 2.056
125 HB2 PRO 16 HB2 PRO 16 3.865 6.526 4.020
126 HB3 PRO 16 HB1 PRO 16 5.308 5.552 3.722
127 HG2 PRO 16 HG2 PRO 16 4.705 8.354 2.859
128 HG3 PRO 16 HG1 PRO 16 6.214 7.683 3.504
129 HD2 PRO 16 HD2 PRO 16 5.837 8.118 0.862
130 HD3 PRO 16 HD1 PRO 16 6.827 6.771 1.474
131 H GLY 17 HN GLY 17 3.191 7.838 0.910
132 HA2 GLY 17 HA2 GLY 17 0.483 7.872 1.775
133 HA3 GLY 17 HA1 GLY 17 1.172 8.837 0.475
134 H ALA 18 HN ALA 18 2.138 6.546 -1.016
135 HA ALA 18 HA ALA 18 -0.269 5.929 -2.430
136 HB1 ALA 18 HB1 ALA 18 1.785 6.195 -3.673
137 HB2 ALA 18 HB2 ALA 18 1.161 4.553 -3.867
138 HB3 ALA 18 HB3 ALA 18 2.521 4.858 -2.787
139 H LEU 19 HN LEU 19 1.636 4.335 0.032
140 HA LEU 19 HA LEU 19 0.554 1.754 -0.412
141 HB2 LEU 19 HB2 LEU 19 1.987 3.050 1.881
142 HB3 LEU 19 HB1 LEU 19 1.228 1.475 2.083
143 HG LEU 19 HG LEU 19 3.523 2.213 0.286
144 HD11 LEU 19 HD11 LEU 19 3.165 0.211 2.508
145 HD12 LEU 19 HD12 LEU 19 4.070 1.720 2.597
146 HD13 LEU 19 HD13 LEU 19 4.626 0.417 1.546
147 HD21 LEU 19 HD21 LEU 19 1.930 -0.348 0.331
148 HD22 LEU 19 HD22 LEU 19 3.437 -0.093 -0.548
149 HD23 LEU 19 HD23 LEU 19 1.990 0.812 -0.994
150 H GLN 20 HN GLN 20 -0.391 4.591 1.394
151 HA GLN 20 HA GLN 20 -2.367 3.129 2.775
152 HB2 GLN 20 HB2 GLN 20 -3.027 5.196 3.837
153 HB3 GLN 20 HB1 GLN 20 -1.283 5.078 3.796
154 HG2 GLN 20 HG2 GLN 20 -1.576 7.254 3.234
155 HG3 GLN 20 HG1 GLN 20 -1.486 6.506 1.643
156 HE21 GLN 20 HE21 GLN 20 -4.267 6.260 3.744
157 HE22 GLN 20 HE22 GLN 20 -5.319 7.248 2.785
158 H ARG 21 HN ARG 21 -2.189 5.097 0.047
159 HA ARG 21 HA ARG 21 -4.942 5.134 -0.652
160 HB2 ARG 21 HB2 ARG 21 -2.827 6.396 -1.629
161 HB3 ARG 21 HB1 ARG 21 -2.769 5.023 -2.713
162 HG2 ARG 21 HG2 ARG 21 -5.232 6.709 -2.377
163 HG3 ARG 21 HG1 ARG 21 -3.972 7.070 -3.557
164 HD2 ARG 21 HD2 ARG 21 -4.301 4.881 -4.583
165 HD3 ARG 21 HD1 ARG 21 -5.540 4.501 -3.390
166 HE ARG 21 HE ARG 21 -6.237 6.888 -4.685
167 HH11 ARG 21 HH11 ARG 21 -5.914 3.478 -5.386
168 HH12 ARG 21 HH12 ARG 21 -7.140 3.474 -6.614
169 HH21 ARG 21 HH21 ARG 21 -7.856 6.901 -6.289
170 HH22 ARG 21 HH22 ARG 21 -8.243 5.428 -7.127
171 H HIS 22 HN HIS 22 -2.269 2.959 -1.114
172 HA HIS 22 HA HIS 22 -3.469 1.179 -2.976
173 HB2 HIS 22 HB2 HIS 22 -1.030 1.383 -2.437
174 HB3 HIS 22 HB1 HIS 22 -1.340 0.526 -0.948
175 HD1 HIS 22 HD1 HIS 22 -1.553 -0.059 -4.720
176 HD2 HIS 22 HD2 HIS 22 -1.301 -2.108 -1.113
177 HE1 HIS 22 HE1 HIS 22 -1.251 -2.503 -5.307
178 H VAL 23 HN VAL 23 -3.169 1.124 0.547
179 HA VAL 23 HA VAL 23 -4.242 -1.451 0.751
180 HB VAL 23 HB VAL 23 -4.011 0.696 2.867
181 HG11 VAL 23 HG11 VAL 23 -4.310 -1.078 4.515
182 HG12 VAL 23 HG12 VAL 23 -4.586 -2.245 3.221
183 HG13 VAL 23 HG13 VAL 23 -5.734 -0.932 3.484
184 HG21 VAL 23 HG21 VAL 23 -2.292 -1.717 2.277
185 HG22 VAL 23 HG22 VAL 23 -2.056 -0.582 3.604
186 HG23 VAL 23 HG23 VAL 23 -1.872 -0.039 1.935
187 H ARG 24 HN ARG 24 -5.637 1.756 0.719
188 HA ARG 24 HA ARG 24 -8.293 1.143 1.351
189 HB2 ARG 24 HB2 ARG 24 -7.064 3.196 -0.474
190 HB3 ARG 24 HB1 ARG 24 -8.796 3.108 -0.193
191 HG2 ARG 24 HG2 ARG 24 -7.069 3.200 2.196
192 HG3 ARG 24 HG1 ARG 24 -7.164 4.661 1.219
193 HD2 ARG 24 HD2 ARG 24 -8.874 4.822 2.866
194 HD3 ARG 24 HD1 ARG 24 -9.667 4.453 1.337
195 HE ARG 24 HE ARG 24 -9.153 2.460 3.460
196 HH11 ARG 24 HH11 ARG 24 -11.087 3.676 0.791
197 HH12 ARG 24 HH12 ARG 24 -12.390 2.555 1.051
198 HH21 ARG 24 HH21 ARG 24 -10.878 1.015 3.840
199 HH22 ARG 24 HH22 ARG 24 -12.270 1.029 2.800
200 H ILE 25 HN ILE 25 -6.405 0.468 -1.488
201 HA ILE 25 HA ILE 25 -8.555 -0.111 -3.249
202 HB ILE 25 HB ILE 25 -5.679 -1.034 -3.256
203 HG12 ILE 25 HG12 ILE 25 -7.108 1.074 -4.886
204 HG13 ILE 25 HG11 ILE 25 -6.012 1.376 -3.549
205 HG21 ILE 25 HG21 ILE 25 -6.096 -1.597 -5.622
206 HG22 ILE 25 HG22 ILE 25 -7.816 -1.359 -5.327
207 HG23 ILE 25 HG23 ILE 25 -6.943 -2.636 -4.475
208 HD11 ILE 25 HD11 ILE 25 -4.912 1.720 -5.683
209 HD12 ILE 25 HD12 ILE 25 -5.282 0.059 -6.146
210 HD13 ILE 25 HD13 ILE 25 -4.184 0.374 -4.802
211 H HIS 26 HN HIS 26 -6.480 -2.195 -1.187
212 HA HIS 26 HA HIS 26 -7.843 -4.598 -1.793
213 HB2 HIS 26 HB2 HIS 26 -6.217 -3.797 0.618
214 HB3 HIS 26 HB1 HIS 26 -6.970 -5.378 0.484
215 HD1 HIS 26 HD1 HIS 26 -6.265 -6.179 -2.386
216 HD2 HIS 26 HD2 HIS 26 -3.645 -4.263 0.218
217 HE1 HIS 26 HE1 HIS 26 -3.914 -6.693 -3.211
218 H THR 27 HN THR 27 -8.401 -2.069 0.563
219 HA THR 27 HA THR 27 -10.694 -3.474 1.670
220 HB THR 27 HB THR 27 -10.032 -0.637 2.371
221 HG1 THR 27 HG1 THR 27 -8.008 -1.653 2.454
222 HG21 THR 27 HG21 THR 27 -10.758 -1.365 4.585
223 HG22 THR 27 HG22 THR 27 -10.907 -3.024 4.004
224 HG23 THR 27 HG23 THR 27 -11.980 -1.771 3.377
225 H GLY 28 HN GLY 28 -10.568 -2.591 -1.144
226 HA2 GLY 28 HA2 GLY 28 -12.418 -0.419 -1.447
227 HA3 GLY 28 HA1 GLY 28 -11.864 -1.508 -2.712
228 H GLU 29 HN GLU 29 -13.899 -1.479 0.175
229 HA GLU 29 HA GLU 29 -15.511 -3.672 -0.836
230 HB2 GLU 29 HB2 GLU 29 -15.853 -2.027 1.682
231 HB3 GLU 29 HB1 GLU 29 -16.555 -3.606 1.347
232 HG2 GLU 29 HG2 GLU 29 -14.427 -4.661 1.425
233 HG3 GLU 29 HG1 GLU 29 -13.596 -3.109 1.489
234 H LYS 30 HN LYS 30 -15.514 -0.258 -0.664
235 HA LYS 30 HA LYS 30 -18.035 -0.174 -2.148
236 HB2 LYS 30 HB2 LYS 30 -17.229 1.627 0.144
237 HB3 LYS 30 HB1 LYS 30 -18.496 2.045 -1.002
238 HG2 LYS 30 HG2 LYS 30 -18.508 -0.428 0.713
239 HG3 LYS 30 HG1 LYS 30 -19.341 1.078 1.111
240 HD2 LYS 30 HD2 LYS 30 -20.752 0.888 -0.808
241 HD3 LYS 30 HD1 LYS 30 -19.806 -0.461 -1.437
242 HE2 LYS 30 HE2 LYS 30 -21.380 -0.510 1.135
243 HE3 LYS 30 HE1 LYS 30 -21.950 -1.153 -0.404
244 HZ1 LYS 30 HZ1 LYS 30 -19.715 -2.128 1.275
245 HZ2 LYS 30 HZ2 LYS 30 -19.864 -2.568 -0.352
246 HZ3 LYS 30 HZ3 LYS 30 -21.086 -2.980 0.747
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 15.697 8.922 0.352
2 H2 MET 1 HT2 MET 1 15.871 7.851 1.657
3 H3 MET 1 HT3 MET 1 14.334 8.157 1.012
4 HA MET 1 HA MET 1 14.853 7.088 -1.008
5 HB2 MET 1 HB2 MET 1 17.068 5.963 -1.297
6 HB3 MET 1 HB1 MET 1 17.143 7.717 -1.304
7 HG2 MET 1 HG2 MET 1 17.959 7.718 0.978
8 HG3 MET 1 HG1 MET 1 17.821 5.963 1.046
9 HE1 MET 1 HE1 MET 1 19.366 4.294 -0.325
10 HE2 MET 1 HE2 MET 1 20.529 4.829 -1.540
11 HE3 MET 1 HE3 MET 1 18.803 5.075 -1.803
12 H LYS 2 HN LYS 2 13.367 5.664 -0.482
13 HA LYS 2 HA LYS 2 14.034 3.074 0.303
14 HB2 LYS 2 HB2 LYS 2 14.299 3.945 2.572
15 HB3 LYS 2 HB1 LYS 2 12.713 4.700 2.495
16 HG2 LYS 2 HG2 LYS 2 12.563 2.697 3.803
17 HG3 LYS 2 HG1 LYS 2 11.697 2.450 2.287
18 HD2 LYS 2 HD2 LYS 2 12.879 0.477 2.485
19 HD3 LYS 2 HD1 LYS 2 13.956 1.437 1.474
20 HE2 LYS 2 HE2 LYS 2 14.198 1.125 4.466
21 HE3 LYS 2 HE1 LYS 2 15.135 0.223 3.278
22 HZ1 LYS 2 HZ1 LYS 2 16.414 2.056 4.114
23 HZ2 LYS 2 HZ2 LYS 2 15.196 3.159 3.715
24 HZ3 LYS 2 HZ3 LYS 2 16.042 2.350 2.485
25 HA PRO 3 HA PRO 3 10.021 3.086 -1.706
26 HB2 PRO 3 HB2 PRO 3 9.969 0.482 -2.359
27 HB3 PRO 3 HB1 PRO 3 10.968 1.647 -3.247
28 HG2 PRO 3 HG2 PRO 3 11.765 -0.265 -1.085
29 HG3 PRO 3 HG1 PRO 3 12.572 0.099 -2.615
30 HD2 PRO 3 HD2 PRO 3 13.347 1.192 -0.252
31 HD3 PRO 3 HD1 PRO 3 13.532 2.029 -1.807
32 H TYR 4 HN TYR 4 8.043 1.849 -1.398
33 HA TYR 4 HA TYR 4 7.857 0.624 1.246
34 HB2 TYR 4 HB2 TYR 4 6.048 2.778 0.113
35 HB3 TYR 4 HB1 TYR 4 5.628 1.766 1.496
36 HD1 TYR 4 HD2 TYR 4 7.058 1.845 3.559
37 HD2 TYR 4 HD1 TYR 4 7.509 4.635 0.381
38 HE1 TYR 4 HE2 TYR 4 8.328 3.327 5.052
39 HE2 TYR 4 HE1 TYR 4 8.793 6.117 1.861
40 HH TYR 4 HH TYR 4 10.081 5.132 4.773
41 H VAL 5 HN VAL 5 6.948 -1.269 1.187
42 HA VAL 5 HA VAL 5 5.608 -2.053 -1.291
43 HB VAL 5 HB VAL 5 6.252 -4.327 -0.785
44 HG11 VAL 5 HG11 VAL 5 8.662 -4.114 -1.072
45 HG12 VAL 5 HG12 VAL 5 8.575 -2.432 -0.550
46 HG13 VAL 5 HG13 VAL 5 7.793 -2.931 -2.048
47 HG21 VAL 5 HG21 VAL 5 7.714 -4.876 1.093
48 HG22 VAL 5 HG22 VAL 5 6.174 -4.227 1.660
49 HG23 VAL 5 HG23 VAL 5 7.615 -3.210 1.659
50 H CYS 6 HN CYS 6 3.744 -3.223 -1.256
51 HA CYS 6 HA CYS 6 1.917 -2.664 0.821
52 HB2 CYS 6 HB2 CYS 6 1.236 -2.998 -1.517
53 HB3 CYS 6 HB1 CYS 6 1.697 -4.692 -1.407
54 H ILE 7 HN ILE 7 1.303 -3.758 2.534
55 HA ILE 7 HA ILE 7 2.946 -5.832 3.536
56 HB ILE 7 HB ILE 7 0.373 -4.623 4.585
57 HG12 ILE 7 HG12 ILE 7 2.014 -3.608 6.282
58 HG13 ILE 7 HG11 ILE 7 3.286 -4.077 5.162
59 HG21 ILE 7 HG21 ILE 7 0.938 -5.641 6.728
60 HG22 ILE 7 HG22 ILE 7 2.318 -6.443 5.982
61 HG23 ILE 7 HG23 ILE 7 0.680 -6.852 5.474
62 HD11 ILE 7 HD11 ILE 7 0.991 -2.261 4.459
63 HD12 ILE 7 HD12 ILE 7 2.401 -2.631 3.466
64 HD13 ILE 7 HD13 ILE 7 2.592 -1.714 4.963
65 H HIS 8 HN HIS 8 -0.049 -5.678 1.813
66 HA HIS 8 HA HIS 8 -0.899 -8.297 2.744
67 HB2 HIS 8 HB2 HIS 8 -2.467 -6.299 2.397
68 HB3 HIS 8 HB1 HIS 8 -2.301 -6.621 0.668
69 HD1 HIS 8 HD1 HIS 8 -3.773 -8.013 3.814
70 HD2 HIS 8 HD2 HIS 8 -3.688 -8.859 -0.261
71 HE1 HIS 8 HE1 HIS 8 -5.536 -9.771 3.446
72 HE2 HIS 8 HE2 HIS 8 -5.567 -10.166 0.957
73 H CYS 9 HN CYS 9 -0.004 -6.768 -0.372
74 HA CYS 9 HA CYS 9 -0.072 -9.472 -1.515
75 HB2 CYS 9 HB2 CYS 9 -0.810 -8.541 -3.574
76 HB3 CYS 9 HB1 CYS 9 -1.812 -7.847 -2.311
77 H GLN 10 HN GLN 10 1.996 -7.133 -0.564
78 HA GLN 10 HA GLN 10 4.196 -6.716 -0.820
79 HB2 GLN 10 HB2 GLN 10 4.095 -9.445 -2.098
80 HB3 GLN 10 HB1 GLN 10 5.598 -8.573 -1.787
81 HG2 GLN 10 HG2 GLN 10 5.063 -8.528 0.601
82 HG3 GLN 10 HG1 GLN 10 3.580 -9.424 0.277
83 HE21 GLN 10 HE21 GLN 10 6.563 -10.021 -1.422
84 HE22 GLN 10 HE22 GLN 10 6.867 -11.586 -0.723
85 H ARG 11 HN ARG 11 2.968 -5.177 -2.522
86 HA ARG 11 HA ARG 11 4.528 -5.387 -4.993
87 HB2 ARG 11 HB2 ARG 11 1.924 -3.998 -4.385
88 HB3 ARG 11 HB1 ARG 11 2.881 -3.605 -5.805
89 HG2 ARG 11 HG2 ARG 11 1.713 -6.307 -5.154
90 HG3 ARG 11 HG1 ARG 11 1.076 -5.160 -6.331
91 HD2 ARG 11 HD2 ARG 11 2.298 -6.773 -7.565
92 HD3 ARG 11 HD1 ARG 11 3.299 -5.323 -7.521
93 HE ARG 11 HE ARG 11 3.935 -7.113 -5.392
94 HH11 ARG 11 HH11 ARG 11 4.423 -6.612 -8.829
95 HH12 ARG 11 HH12 ARG 11 5.963 -7.425 -8.847
96 HH21 ARG 11 HH21 ARG 11 5.938 -8.181 -5.422
97 HH22 ARG 11 HH22 ARG 11 6.817 -8.330 -6.910
98 H GLN 12 HN GLN 12 5.806 -3.633 -5.616
99 HA GLN 12 HA GLN 12 6.696 -2.062 -3.341
100 HB2 GLN 12 HB2 GLN 12 7.887 -2.402 -6.095
101 HB3 GLN 12 HB1 GLN 12 8.643 -1.568 -4.752
102 HG2 GLN 12 HG2 GLN 12 8.634 -3.694 -3.485
103 HG3 GLN 12 HG1 GLN 12 7.993 -4.497 -4.915
104 HE21 GLN 12 HE21 GLN 12 10.487 -4.949 -3.483
105 HE22 GLN 12 HE22 GLN 12 11.760 -4.723 -4.654
106 H PHE 13 HN PHE 13 6.254 0.000 -3.060
107 HA PHE 13 HA PHE 13 5.778 1.695 -5.423
108 HB2 PHE 13 HB2 PHE 13 4.310 1.782 -2.772
109 HB3 PHE 13 HB1 PHE 13 4.240 3.075 -3.975
110 HD1 PHE 13 HD2 PHE 13 3.320 -0.400 -3.240
111 HD2 PHE 13 HD1 PHE 13 2.958 2.838 -5.980
112 HE1 PHE 13 HE2 PHE 13 1.470 -1.565 -4.364
113 HE2 PHE 13 HE1 PHE 13 1.106 1.680 -7.104
114 HZ PHE 13 HZ PHE 13 0.429 -0.547 -6.385
115 H ALA 14 HN ALA 14 5.870 4.159 -4.410
116 HA ALA 14 HA ALA 14 8.638 4.235 -3.411
117 HB1 ALA 14 HB1 ALA 14 7.146 6.348 -4.953
118 HB2 ALA 14 HB2 ALA 14 8.232 5.153 -5.665
119 HB3 ALA 14 HB3 ALA 14 8.860 6.356 -4.534
120 H ASP 15 HN ASP 15 5.418 5.511 -2.897
121 HA ASP 15 HA ASP 15 6.456 7.154 -0.670
122 HB2 ASP 15 HB2 ASP 15 5.147 8.151 -2.801
123 HB3 ASP 15 HB1 ASP 15 3.780 7.695 -1.819
124 HA PRO 16 HA PRO 16 3.747 4.846 2.081
125 HB2 PRO 16 HB2 PRO 16 3.572 7.356 3.618
126 HB3 PRO 16 HB1 PRO 16 4.203 5.784 4.118
127 HG2 PRO 16 HG2 PRO 16 5.825 7.886 3.690
128 HG3 PRO 16 HG1 PRO 16 6.320 6.226 3.310
129 HD2 PRO 16 HD2 PRO 16 5.347 8.384 1.472
130 HD3 PRO 16 HD1 PRO 16 6.658 7.207 1.229
131 H GLY 17 HN GLY 17 3.205 7.980 0.716
132 HA2 GLY 17 HA2 GLY 17 0.505 8.415 1.079
133 HA3 GLY 17 HA1 GLY 17 1.414 8.833 -0.378
134 H ALA 18 HN ALA 18 2.061 6.525 -1.497
135 HA ALA 18 HA ALA 18 -0.444 5.756 -2.627
136 HB1 ALA 18 HB1 ALA 18 0.860 4.320 -4.094
137 HB2 ALA 18 HB2 ALA 18 2.305 4.657 -3.140
138 HB3 ALA 18 HB3 ALA 18 1.518 5.957 -4.037
139 H LEU 19 HN LEU 19 1.579 4.456 -0.119
140 HA LEU 19 HA LEU 19 0.586 1.797 -0.319
141 HB2 LEU 19 HB2 LEU 19 2.360 3.290 1.483
142 HB3 LEU 19 HB1 LEU 19 1.401 2.045 2.280
143 HG LEU 19 HG LEU 19 3.627 1.239 1.586
144 HD11 LEU 19 HD11 LEU 19 2.854 -0.809 0.506
145 HD12 LEU 19 HD12 LEU 19 1.321 -0.031 0.117
146 HD13 LEU 19 HD13 LEU 19 1.762 -0.317 1.799
147 HD21 LEU 19 HD21 LEU 19 2.604 1.707 -1.210
148 HD22 LEU 19 HD22 LEU 19 4.110 0.897 -0.775
149 HD23 LEU 19 HD23 LEU 19 3.894 2.611 -0.418
150 H GLN 20 HN GLN 20 -0.337 4.728 1.302
151 HA GLN 20 HA GLN 20 -2.291 3.415 2.847
152 HB2 GLN 20 HB2 GLN 20 -1.932 6.341 2.260
153 HB3 GLN 20 HB1 GLN 20 -3.104 5.709 3.410
154 HG2 GLN 20 HG2 GLN 20 -1.313 4.783 4.758
155 HG3 GLN 20 HG1 GLN 20 -0.123 5.351 3.590
156 HE21 GLN 20 HE21 GLN 20 -1.576 7.859 3.141
157 HE22 GLN 20 HE22 GLN 20 -1.269 8.839 4.534
158 H ARG 21 HN ARG 21 -2.224 5.191 -0.074
159 HA ARG 21 HA ARG 21 -4.988 5.101 -0.708
160 HB2 ARG 21 HB2 ARG 21 -2.883 6.321 -1.818
161 HB3 ARG 21 HB1 ARG 21 -2.927 4.910 -2.857
162 HG2 ARG 21 HG2 ARG 21 -4.144 6.765 -3.852
163 HG3 ARG 21 HG1 ARG 21 -5.226 5.420 -3.487
164 HD2 ARG 21 HD2 ARG 21 -6.158 7.641 -2.887
165 HD3 ARG 21 HD1 ARG 21 -6.040 6.530 -1.523
166 HE ARG 21 HE ARG 21 -3.763 8.282 -1.818
167 HH11 ARG 21 HH11 ARG 21 -6.996 7.995 -0.480
168 HH12 ARG 21 HH12 ARG 21 -6.677 9.082 0.844
169 HH21 ARG 21 HH21 ARG 21 -3.359 9.729 -0.114
170 HH22 ARG 21 HH22 ARG 21 -4.608 10.076 1.041
171 H HIS 22 HN HIS 22 -2.314 2.947 -0.975
172 HA HIS 22 HA HIS 22 -3.420 1.035 -2.750
173 HB2 HIS 22 HB2 HIS 22 -0.996 1.336 -2.018
174 HB3 HIS 22 HB1 HIS 22 -1.429 0.425 -0.585
175 HD1 HIS 22 HD1 HIS 22 -1.277 0.006 -4.357
176 HD2 HIS 22 HD2 HIS 22 -1.442 -2.217 -0.855
177 HE1 HIS 22 HE1 HIS 22 -0.912 -2.405 -5.028
178 H VAL 23 HN VAL 23 -3.301 1.223 0.791
179 HA VAL 23 HA VAL 23 -4.262 -1.386 1.113
180 HB VAL 23 HB VAL 23 -4.308 0.890 3.104
181 HG11 VAL 23 HG11 VAL 23 -5.951 -0.803 3.715
182 HG12 VAL 23 HG12 VAL 23 -4.572 -0.856 4.814
183 HG13 VAL 23 HG13 VAL 23 -4.733 -2.068 3.540
184 HG21 VAL 23 HG21 VAL 23 -2.402 -1.429 2.770
185 HG22 VAL 23 HG22 VAL 23 -2.336 -0.210 4.044
186 HG23 VAL 23 HG23 VAL 23 -2.066 0.255 2.365
187 H ARG 24 HN ARG 24 -5.859 1.758 0.991
188 HA ARG 24 HA ARG 24 -8.454 0.734 1.572
189 HB2 ARG 24 HB2 ARG 24 -9.289 2.899 0.668
190 HB3 ARG 24 HB1 ARG 24 -8.092 3.068 1.940
191 HG2 ARG 24 HG2 ARG 24 -6.417 3.717 0.408
192 HG3 ARG 24 HG1 ARG 24 -7.399 3.235 -0.975
193 HD2 ARG 24 HD2 ARG 24 -7.405 5.647 -0.743
194 HD3 ARG 24 HD1 ARG 24 -9.013 4.998 -0.434
195 HE ARG 24 HE ARG 24 -7.195 5.706 1.781
196 HH11 ARG 24 HH11 ARG 24 -10.269 6.013 0.115
197 HH12 ARG 24 HH12 ARG 24 -10.984 6.998 1.358
198 HH21 ARG 24 HH21 ARG 24 -8.142 6.999 3.412
199 HH22 ARG 24 HH22 ARG 24 -9.793 7.526 3.239
200 H ILE 25 HN ILE 25 -6.469 0.503 -1.159
201 HA ILE 25 HA ILE 25 -8.522 0.128 -3.107
202 HB ILE 25 HB ILE 25 -5.610 -0.635 -3.007
203 HG12 ILE 25 HG12 ILE 25 -7.178 1.245 -4.772
204 HG13 ILE 25 HG11 ILE 25 -6.175 1.705 -3.409
205 HG21 ILE 25 HG21 ILE 25 -7.557 -1.236 -5.212
206 HG22 ILE 25 HG22 ILE 25 -6.687 -2.409 -4.220
207 HG23 ILE 25 HG23 ILE 25 -5.806 -1.365 -5.335
208 HD11 ILE 25 HD11 ILE 25 -5.215 0.397 -5.933
209 HD12 ILE 25 HD12 ILE 25 -4.204 0.848 -4.560
210 HD13 ILE 25 HD13 ILE 25 -5.023 2.096 -5.499
211 H HIS 26 HN HIS 26 -6.693 -1.995 -0.938
212 HA HIS 26 HA HIS 26 -7.722 -4.426 -1.957
213 HB2 HIS 26 HB2 HIS 26 -6.320 -3.673 0.575
214 HB3 HIS 26 HB1 HIS 26 -7.069 -5.255 0.443
215 HD1 HIS 26 HD1 HIS 26 -6.279 -6.078 -2.407
216 HD2 HIS 26 HD2 HIS 26 -3.715 -4.186 0.273
217 HE1 HIS 26 HE1 HIS 26 -3.912 -6.657 -3.140
218 H THR 27 HN THR 27 -8.884 -2.216 0.547
219 HA THR 27 HA THR 27 -11.013 -3.946 1.347
220 HB THR 27 HB THR 27 -11.936 -1.490 2.022
221 HG1 THR 27 HG1 THR 27 -10.407 -0.080 1.687
222 HG21 THR 27 HG21 THR 27 -9.844 -3.115 3.470
223 HG22 THR 27 HG22 THR 27 -11.593 -3.322 3.569
224 HG23 THR 27 HG23 THR 27 -10.840 -1.860 4.203
225 H GLY 28 HN GLY 28 -10.737 -1.204 -0.881
226 HA2 GLY 28 HA2 GLY 28 -11.869 -0.876 -2.875
227 HA3 GLY 28 HA1 GLY 28 -12.781 -2.342 -2.556
228 H GLU 29 HN GLU 29 -13.479 -1.158 0.161
229 HA GLU 29 HA GLU 29 -16.043 -0.305 -0.506
230 HB2 GLU 29 HB2 GLU 29 -14.542 0.115 2.076
231 HB3 GLU 29 HB1 GLU 29 -16.279 0.168 1.867
232 HG2 GLU 29 HG2 GLU 29 -16.211 -2.212 1.161
233 HG3 GLU 29 HG1 GLU 29 -14.498 -2.231 1.583
234 H LYS 30 HN LYS 30 -13.207 1.518 0.533
235 HA LYS 30 HA LYS 30 -14.577 3.983 -0.309
236 HB2 LYS 30 HB2 LYS 30 -14.376 3.725 2.188
237 HB3 LYS 30 HB1 LYS 30 -12.631 3.762 1.991
238 HG2 LYS 30 HG2 LYS 30 -13.463 5.931 2.665
239 HG3 LYS 30 HG1 LYS 30 -12.783 6.007 1.037
240 HD2 LYS 30 HD2 LYS 30 -14.935 6.070 0.043
241 HD3 LYS 30 HD1 LYS 30 -15.730 5.641 1.560
242 HE2 LYS 30 HE2 LYS 30 -14.175 8.180 1.103
243 HE3 LYS 30 HE1 LYS 30 -15.928 8.049 0.962
244 HZ1 LYS 30 HZ1 LYS 30 -14.492 7.284 3.439
245 HZ2 LYS 30 HZ2 LYS 30 -16.147 7.618 3.240
246 HZ3 LYS 30 HZ3 LYS 30 -15.009 8.874 3.159
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 15.638 4.880 -0.718
2 H2 MET 1 HT2 MET 1 14.787 5.130 -2.161
3 H3 MET 1 HT3 MET 1 16.328 5.807 -1.957
4 HA MET 1 HA MET 1 16.456 3.911 -3.390
5 HB2 MET 1 HB2 MET 1 18.346 4.360 -1.888
6 HB3 MET 1 HB1 MET 1 17.600 3.376 -0.638
7 HG2 MET 1 HG2 MET 1 19.380 2.169 -1.756
8 HG3 MET 1 HG1 MET 1 17.820 1.402 -2.041
9 HE1 MET 1 HE1 MET 1 19.106 0.015 -3.969
10 HE2 MET 1 HE2 MET 1 20.590 0.933 -3.715
11 HE3 MET 1 HE3 MET 1 19.919 0.778 -5.338
12 H LYS 2 HN LYS 2 15.708 2.622 -0.121
13 HA LYS 2 HA LYS 2 14.420 0.323 -1.267
14 HB2 LYS 2 HB2 LYS 2 13.959 -0.335 1.037
15 HB3 LYS 2 HB1 LYS 2 15.631 0.174 0.877
16 HG2 LYS 2 HG2 LYS 2 14.926 2.414 1.788
17 HG3 LYS 2 HG1 LYS 2 13.360 1.685 2.147
18 HD2 LYS 2 HD2 LYS 2 16.040 0.800 3.217
19 HD3 LYS 2 HD1 LYS 2 14.788 1.654 4.116
20 HE2 LYS 2 HE2 LYS 2 14.401 -1.052 2.857
21 HE3 LYS 2 HE1 LYS 2 14.896 -0.811 4.530
22 HZ1 LYS 2 HZ1 LYS 2 12.491 -1.195 4.234
23 HZ2 LYS 2 HZ2 LYS 2 12.379 0.252 3.369
24 HZ3 LYS 2 HZ3 LYS 2 12.835 0.278 4.999
25 HA PRO 3 HA PRO 3 10.539 2.451 -1.738
26 HB2 PRO 3 HB2 PRO 3 9.166 0.460 -2.892
27 HB3 PRO 3 HB1 PRO 3 10.469 1.302 -3.750
28 HG2 PRO 3 HG2 PRO 3 10.526 -1.338 -2.340
29 HG3 PRO 3 HG1 PRO 3 11.205 -0.894 -3.914
30 HD2 PRO 3 HD2 PRO 3 12.684 -1.034 -1.620
31 HD3 PRO 3 HD1 PRO 3 13.087 0.028 -2.983
32 H TYR 4 HN TYR 4 8.195 1.935 -1.278
33 HA TYR 4 HA TYR 4 7.991 0.532 1.296
34 HB2 TYR 4 HB2 TYR 4 6.156 2.647 0.084
35 HB3 TYR 4 HB1 TYR 4 5.961 1.879 1.663
36 HD1 TYR 4 HD2 TYR 4 7.431 2.440 3.526
37 HD2 TYR 4 HD1 TYR 4 7.869 4.332 -0.256
38 HE1 TYR 4 HE2 TYR 4 8.830 4.174 4.565
39 HE2 TYR 4 HE1 TYR 4 9.267 6.078 0.773
40 HH TYR 4 HH TYR 4 10.608 5.791 3.857
41 H VAL 5 HN VAL 5 7.316 -1.505 0.987
42 HA VAL 5 HA VAL 5 5.739 -2.086 -1.387
43 HB VAL 5 HB VAL 5 6.267 -4.382 -1.057
44 HG11 VAL 5 HG11 VAL 5 7.985 -3.036 -2.098
45 HG12 VAL 5 HG12 VAL 5 8.708 -4.335 -1.150
46 HG13 VAL 5 HG13 VAL 5 8.691 -2.687 -0.520
47 HG21 VAL 5 HG21 VAL 5 7.564 -5.214 0.848
48 HG22 VAL 5 HG22 VAL 5 6.020 -4.534 1.362
49 HG23 VAL 5 HG23 VAL 5 7.506 -3.610 1.580
50 H CYS 6 HN CYS 6 3.786 -3.044 -1.404
51 HA CYS 6 HA CYS 6 1.924 -2.482 0.570
52 HB2 CYS 6 HB2 CYS 6 1.274 -2.957 -1.728
53 HB3 CYS 6 HB1 CYS 6 1.813 -4.628 -1.561
54 H ILE 7 HN ILE 7 1.221 -3.447 2.327
55 HA ILE 7 HA ILE 7 2.799 -5.480 3.523
56 HB ILE 7 HB ILE 7 0.264 -4.096 4.430
57 HG12 ILE 7 HG12 ILE 7 1.932 -3.040 6.076
58 HG13 ILE 7 HG11 ILE 7 3.186 -3.634 4.996
59 HG21 ILE 7 HG21 ILE 7 0.438 -6.251 5.501
60 HG22 ILE 7 HG22 ILE 7 0.757 -4.959 6.657
61 HG23 ILE 7 HG23 ILE 7 2.094 -5.894 5.990
62 HD11 ILE 7 HD11 ILE 7 2.312 -2.293 3.191
63 HD12 ILE 7 HD12 ILE 7 2.624 -1.281 4.601
64 HD13 ILE 7 HD13 ILE 7 0.972 -1.756 4.203
65 H HIS 8 HN HIS 8 -0.146 -5.414 1.693
66 HA HIS 8 HA HIS 8 -1.045 -7.946 2.835
67 HB2 HIS 8 HB2 HIS 8 -2.612 -5.973 2.393
68 HB3 HIS 8 HB1 HIS 8 -2.477 -6.397 0.684
69 HD1 HIS 8 HD1 HIS 8 -3.651 -8.601 -0.100
70 HD2 HIS 8 HD2 HIS 8 -4.140 -7.731 3.945
71 HE1 HIS 8 HE1 HIS 8 -5.479 -10.120 0.712
72 HE2 HIS 8 HE2 HIS 8 -5.865 -9.472 3.114
73 H CYS 9 HN CYS 9 0.010 -6.663 -0.344
74 HA CYS 9 HA CYS 9 -0.087 -9.447 -1.272
75 HB2 CYS 9 HB2 CYS 9 -0.820 -8.740 -3.400
76 HB3 CYS 9 HB1 CYS 9 -1.843 -7.926 -2.231
77 H GLN 10 HN GLN 10 1.957 -7.052 -0.481
78 HA GLN 10 HA GLN 10 4.143 -6.597 -0.803
79 HB2 GLN 10 HB2 GLN 10 4.130 -9.351 -2.038
80 HB3 GLN 10 HB1 GLN 10 5.589 -8.438 -1.649
81 HG2 GLN 10 HG2 GLN 10 4.863 -8.396 0.723
82 HG3 GLN 10 HG1 GLN 10 3.504 -9.430 0.283
83 HE21 GLN 10 HE21 GLN 10 3.872 -11.567 -0.280
84 HE22 GLN 10 HE22 GLN 10 5.365 -12.371 0.114
85 H ARG 11 HN ARG 11 3.568 -4.893 -2.240
86 HA ARG 11 HA ARG 11 4.697 -5.292 -4.892
87 HB2 ARG 11 HB2 ARG 11 2.139 -5.260 -4.896
88 HB3 ARG 11 HB1 ARG 11 2.282 -3.575 -4.391
89 HG2 ARG 11 HG2 ARG 11 3.256 -2.924 -6.379
90 HG3 ARG 11 HG1 ARG 11 3.656 -4.581 -6.831
91 HD2 ARG 11 HD2 ARG 11 0.887 -3.392 -6.666
92 HD3 ARG 11 HD1 ARG 11 1.769 -3.772 -8.146
93 HE ARG 11 HE ARG 11 1.695 -6.136 -6.766
94 HH11 ARG 11 HH11 ARG 11 -0.720 -3.885 -7.965
95 HH12 ARG 11 HH12 ARG 11 -1.950 -5.106 -8.130
96 HH21 ARG 11 HH21 ARG 11 0.061 -7.720 -6.928
97 HH22 ARG 11 HH22 ARG 11 -1.513 -7.281 -7.530
98 H GLN 12 HN GLN 12 5.970 -3.574 -5.549
99 HA GLN 12 HA GLN 12 6.862 -1.923 -3.359
100 HB2 GLN 12 HB2 GLN 12 7.891 -2.152 -6.185
101 HB3 GLN 12 HB1 GLN 12 8.677 -1.283 -4.883
102 HG2 GLN 12 HG2 GLN 12 8.874 -3.424 -3.645
103 HG3 GLN 12 HG1 GLN 12 8.232 -4.248 -5.066
104 HE21 GLN 12 HE21 GLN 12 10.816 -4.552 -3.780
105 HE22 GLN 12 HE22 GLN 12 12.015 -4.159 -4.985
106 H PHE 13 HN PHE 13 6.267 0.086 -2.993
107 HA PHE 13 HA PHE 13 5.493 1.780 -5.274
108 HB2 PHE 13 HB2 PHE 13 4.164 1.543 -2.579
109 HB3 PHE 13 HB1 PHE 13 3.969 2.976 -3.597
110 HD1 PHE 13 HD1 PHE 13 2.762 2.845 -5.706
111 HD2 PHE 13 HD2 PHE 13 3.153 -0.550 -3.170
112 HE1 PHE 13 HE1 PHE 13 0.940 1.728 -6.922
113 HE2 PHE 13 HE2 PHE 13 1.334 -1.676 -4.387
114 HZ PHE 13 HZ PHE 13 0.298 -0.557 -6.348
115 H ALA 14 HN ALA 14 6.000 3.969 -5.106
116 HA ALA 14 HA ALA 14 8.558 4.457 -3.948
117 HB1 ALA 14 HB1 ALA 14 6.727 6.536 -5.104
118 HB2 ALA 14 HB2 ALA 14 7.636 5.402 -6.114
119 HB3 ALA 14 HB3 ALA 14 8.494 6.531 -5.062
120 H ASP 15 HN ASP 15 5.306 5.240 -2.999
121 HA ASP 15 HA ASP 15 6.348 7.088 -0.955
122 HB2 ASP 15 HB2 ASP 15 3.759 7.315 -2.510
123 HB3 ASP 15 HB1 ASP 15 4.284 8.398 -1.237
124 HA PRO 16 HA PRO 16 4.077 4.602 1.990
125 HB2 PRO 16 HB2 PRO 16 3.959 7.051 3.618
126 HB3 PRO 16 HB1 PRO 16 4.729 5.505 3.980
127 HG2 PRO 16 HG2 PRO 16 6.168 7.712 3.427
128 HG3 PRO 16 HG1 PRO 16 6.705 6.090 2.951
129 HD2 PRO 16 HD2 PRO 16 5.427 8.230 1.293
130 HD3 PRO 16 HD1 PRO 16 6.754 7.116 0.881
131 H GLY 17 HN GLY 17 3.160 7.823 0.951
132 HA2 GLY 17 HA2 GLY 17 0.434 7.727 1.747
133 HA3 GLY 17 HA1 GLY 17 1.117 8.781 0.514
134 H ALA 18 HN ALA 18 2.177 6.340 -0.909
135 HA ALA 18 HA ALA 18 -0.197 5.785 -2.443
136 HB1 ALA 18 HB1 ALA 18 1.892 6.012 -3.632
137 HB2 ALA 18 HB2 ALA 18 1.258 4.373 -3.816
138 HB3 ALA 18 HB3 ALA 18 2.591 4.684 -2.704
139 H LEU 19 HN LEU 19 1.630 4.249 0.102
140 HA LEU 19 HA LEU 19 0.529 1.661 -0.305
141 HB2 LEU 19 HB2 LEU 19 2.046 2.987 1.904
142 HB3 LEU 19 HB1 LEU 19 1.196 1.478 2.228
143 HG LEU 19 HG LEU 19 3.438 1.926 0.265
144 HD11 LEU 19 HD11 LEU 19 4.113 1.644 2.594
145 HD12 LEU 19 HD12 LEU 19 4.562 0.234 1.634
146 HD13 LEU 19 HD13 LEU 19 3.158 0.164 2.698
147 HD21 LEU 19 HD21 LEU 19 1.662 -0.477 0.672
148 HD22 LEU 19 HD22 LEU 19 3.179 -0.496 -0.232
149 HD23 LEU 19 HD23 LEU 19 1.828 0.487 -0.797
150 H GLN 20 HN GLN 20 -0.314 4.529 1.513
151 HA GLN 20 HA GLN 20 -2.400 3.201 2.838
152 HB2 GLN 20 HB2 GLN 20 -3.098 5.370 3.704
153 HB3 GLN 20 HB1 GLN 20 -1.354 5.215 3.793
154 HG2 GLN 20 HG2 GLN 20 -1.243 7.191 2.819
155 HG3 GLN 20 HG1 GLN 20 -1.724 6.367 1.343
156 HE21 GLN 20 HE21 GLN 20 -4.444 5.866 2.550
157 HE22 GLN 20 HE22 GLN 20 -5.258 7.382 2.368
158 H ARG 21 HN ARG 21 -2.127 5.112 0.047
159 HA ARG 21 HA ARG 21 -4.809 5.187 -0.812
160 HB2 ARG 21 HB2 ARG 21 -2.879 6.360 -1.893
161 HB3 ARG 21 HB1 ARG 21 -2.333 4.820 -2.518
162 HG2 ARG 21 HG2 ARG 21 -3.494 5.987 -4.248
163 HG3 ARG 21 HG1 ARG 21 -4.461 4.600 -3.746
164 HD2 ARG 21 HD2 ARG 21 -5.687 6.223 -2.215
165 HD3 ARG 21 HD1 ARG 21 -4.896 7.506 -3.129
166 HE ARG 21 HE ARG 21 -6.546 5.479 -4.477
167 HH11 ARG 21 HH11 ARG 21 -5.728 8.826 -3.863
168 HH12 ARG 21 HH12 ARG 21 -6.976 9.449 -4.904
169 HH21 ARG 21 HH21 ARG 21 -8.141 6.269 -5.859
170 HH22 ARG 21 HH22 ARG 21 -8.344 7.984 -6.071
171 H HIS 22 HN HIS 22 -2.258 2.873 -1.088
172 HA HIS 22 HA HIS 22 -3.512 1.022 -2.813
173 HB2 HIS 22 HB2 HIS 22 -1.056 1.236 -2.153
174 HB3 HIS 22 HB1 HIS 22 -1.469 0.296 -0.739
175 HD1 HIS 22 HD1 HIS 22 -1.648 -0.035 -4.543
176 HD2 HIS 22 HD2 HIS 22 -1.436 -2.316 -1.075
177 HE1 HIS 22 HE1 HIS 22 -1.336 -2.434 -5.287
178 H VAL 23 HN VAL 23 -3.469 1.323 0.707
179 HA VAL 23 HA VAL 23 -4.488 -1.287 1.026
180 HB VAL 23 HB VAL 23 -4.506 0.956 3.063
181 HG11 VAL 23 HG11 VAL 23 -4.857 -2.023 3.406
182 HG12 VAL 23 HG12 VAL 23 -6.103 -0.791 3.626
183 HG13 VAL 23 HG13 VAL 23 -4.720 -0.849 4.719
184 HG21 VAL 23 HG21 VAL 23 -2.502 -0.130 3.962
185 HG22 VAL 23 HG22 VAL 23 -2.247 0.412 2.303
186 HG23 VAL 23 HG23 VAL 23 -2.537 -1.295 2.639
187 H ARG 24 HN ARG 24 -5.870 1.883 0.615
188 HA ARG 24 HA ARG 24 -8.581 1.379 1.150
189 HB2 ARG 24 HB2 ARG 24 -7.568 3.002 -1.188
190 HB3 ARG 24 HB1 ARG 24 -9.077 3.210 -0.319
191 HG2 ARG 24 HG2 ARG 24 -6.486 3.570 1.106
192 HG3 ARG 24 HG1 ARG 24 -7.102 4.844 0.060
193 HD2 ARG 24 HD2 ARG 24 -9.312 4.408 1.460
194 HD3 ARG 24 HD1 ARG 24 -8.146 3.825 2.651
195 HE ARG 24 HE ARG 24 -7.383 6.353 1.577
196 HH11 ARG 24 HH11 ARG 24 -9.443 4.840 3.959
197 HH12 ARG 24 HH12 ARG 24 -9.641 6.290 4.893
198 HH21 ARG 24 HH21 ARG 24 -7.615 8.249 2.798
199 HH22 ARG 24 HH22 ARG 24 -8.591 8.228 4.238
200 H ILE 25 HN ILE 25 -6.515 0.641 -1.564
201 HA ILE 25 HA ILE 25 -8.391 -0.197 -3.451
202 HB ILE 25 HB ILE 25 -5.551 -1.126 -3.019
203 HG12 ILE 25 HG12 ILE 25 -5.949 1.354 -3.316
204 HG13 ILE 25 HG11 ILE 25 -4.865 0.621 -4.489
205 HG21 ILE 25 HG21 ILE 25 -7.321 -1.356 -5.440
206 HG22 ILE 25 HG22 ILE 25 -6.706 -2.677 -4.445
207 HG23 ILE 25 HG23 ILE 25 -5.593 -1.708 -5.411
208 HD11 ILE 25 HD11 ILE 25 -7.764 1.329 -4.915
209 HD12 ILE 25 HD12 ILE 25 -6.722 0.549 -6.105
210 HD13 ILE 25 HD13 ILE 25 -6.362 2.187 -5.561
211 H HIS 26 HN HIS 26 -6.704 -2.004 -0.898
212 HA HIS 26 HA HIS 26 -7.689 -4.534 -1.793
213 HB2 HIS 26 HB2 HIS 26 -6.152 -3.625 0.602
214 HB3 HIS 26 HB1 HIS 26 -6.879 -5.227 0.597
215 HD1 HIS 26 HD1 HIS 26 -6.230 -6.273 -2.171
216 HD2 HIS 26 HD2 HIS 26 -3.579 -4.031 0.129
217 HE1 HIS 26 HE1 HIS 26 -3.895 -6.815 -3.026
218 H THR 27 HN THR 27 -8.494 -2.476 1.022
219 HA THR 27 HA THR 27 -10.938 -4.094 1.259
220 HB THR 27 HB THR 27 -9.313 -4.784 2.985
221 HG1 THR 27 HG1 THR 27 -10.879 -4.146 4.827
222 HG21 THR 27 HG21 THR 27 -8.149 -2.669 3.338
223 HG22 THR 27 HG22 THR 27 -8.804 -3.277 4.858
224 HG23 THR 27 HG23 THR 27 -9.615 -1.959 4.015
225 H GLY 28 HN GLY 28 -9.413 -0.956 1.715
226 HA2 GLY 28 HA2 GLY 28 -10.418 1.107 1.368
227 HA3 GLY 28 HA1 GLY 28 -11.972 0.300 1.239
228 H GLU 29 HN GLU 29 -11.088 -1.028 3.927
229 HA GLU 29 HA GLU 29 -12.598 0.611 5.643
230 HB2 GLU 29 HB2 GLU 29 -10.508 -1.424 6.432
231 HB3 GLU 29 HB1 GLU 29 -11.830 -0.836 7.430
232 HG2 GLU 29 HG2 GLU 29 -13.438 -1.881 5.948
233 HG3 GLU 29 HG1 GLU 29 -12.129 -2.439 4.904
234 H LYS 30 HN LYS 30 -9.133 0.179 5.222
235 HA LYS 30 HA LYS 30 -8.668 2.536 6.910
236 HB2 LYS 30 HB2 LYS 30 -6.800 0.202 6.444
237 HB3 LYS 30 HB1 LYS 30 -6.518 1.566 7.519
238 HG2 LYS 30 HG2 LYS 30 -8.421 0.878 8.893
239 HG3 LYS 30 HG1 LYS 30 -8.691 -0.496 7.822
240 HD2 LYS 30 HD2 LYS 30 -6.469 -1.362 8.382
241 HD3 LYS 30 HD1 LYS 30 -6.208 0.012 9.456
242 HE2 LYS 30 HE2 LYS 30 -8.310 -2.128 9.741
243 HE3 LYS 30 HE1 LYS 30 -6.873 -1.924 10.743
244 HZ1 LYS 30 HZ1 LYS 30 -8.573 -0.966 11.978
245 HZ2 LYS 30 HZ2 LYS 30 -9.301 -0.243 10.630
246 HZ3 LYS 30 HZ3 LYS 30 -7.843 0.376 11.241
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 18.986 2.137 1.029
2 H2 MET 1 HT2 MET 1 18.191 2.857 2.339
3 H3 MET 1 HT3 MET 1 19.103 3.811 1.281
4 HA MET 1 HA MET 1 16.763 4.086 0.862
5 HB2 MET 1 HB2 MET 1 18.309 2.595 -1.263
6 HB3 MET 1 HB1 MET 1 16.765 3.375 -1.567
7 HG2 MET 1 HG2 MET 1 18.495 4.828 -2.310
8 HG3 MET 1 HG1 MET 1 17.778 5.529 -0.862
9 HE1 MET 1 HE1 MET 1 20.392 2.556 -1.180
10 HE2 MET 1 HE2 MET 1 21.903 3.448 -1.003
11 HE3 MET 1 HE3 MET 1 20.881 3.717 -2.415
12 H LYS 2 HN LYS 2 14.842 3.251 1.169
13 HA LYS 2 HA LYS 2 14.341 0.422 0.591
14 HB2 LYS 2 HB2 LYS 2 14.909 0.456 2.956
15 HB3 LYS 2 HB1 LYS 2 13.782 1.775 3.239
16 HG2 LYS 2 HG2 LYS 2 12.770 -0.217 4.034
17 HG3 LYS 2 HG1 LYS 2 11.936 0.239 2.549
18 HD2 LYS 2 HD2 LYS 2 12.323 -2.151 2.576
19 HD3 LYS 2 HD1 LYS 2 13.299 -1.402 1.311
20 HE2 LYS 2 HE2 LYS 2 15.272 -1.538 2.661
21 HE3 LYS 2 HE1 LYS 2 14.337 -2.052 4.063
22 HZ1 LYS 2 HZ1 LYS 2 15.526 -3.872 2.896
23 HZ2 LYS 2 HZ2 LYS 2 14.526 -3.627 1.550
24 HZ3 LYS 2 HZ3 LYS 2 13.859 -4.121 3.028
25 HA PRO 3 HA PRO 3 10.696 2.546 -0.960
26 HB2 PRO 3 HB2 PRO 3 9.649 0.479 -2.306
27 HB3 PRO 3 HB1 PRO 3 11.082 1.336 -2.900
28 HG2 PRO 3 HG2 PRO 3 10.910 -1.262 -1.420
29 HG3 PRO 3 HG1 PRO 3 11.896 -0.839 -2.829
30 HD2 PRO 3 HD2 PRO 3 12.861 -0.863 -0.272
31 HD3 PRO 3 HD1 PRO 3 13.511 0.177 -1.554
32 H TYR 4 HN TYR 4 8.303 1.929 -0.975
33 HA TYR 4 HA TYR 4 7.693 0.692 1.615
34 HB2 TYR 4 HB2 TYR 4 6.024 2.703 0.048
35 HB3 TYR 4 HB1 TYR 4 5.712 2.094 1.677
36 HD1 TYR 4 HD2 TYR 4 7.021 2.853 3.580
37 HD2 TYR 4 HD1 TYR 4 7.787 4.330 -0.334
38 HE1 TYR 4 HE2 TYR 4 8.381 4.665 4.538
39 HE2 TYR 4 HE1 TYR 4 9.152 6.141 0.608
40 HH TYR 4 HH TYR 4 10.193 6.176 3.842
41 H VAL 5 HN VAL 5 6.933 -1.298 1.417
42 HA VAL 5 HA VAL 5 5.738 -2.070 -1.135
43 HB VAL 5 HB VAL 5 6.286 -4.366 -0.531
44 HG11 VAL 5 HG11 VAL 5 8.715 -4.210 -0.669
45 HG12 VAL 5 HG12 VAL 5 8.635 -2.512 -0.199
46 HG13 VAL 5 HG13 VAL 5 7.941 -3.036 -1.735
47 HG21 VAL 5 HG21 VAL 5 6.054 -4.223 1.887
48 HG22 VAL 5 HG22 VAL 5 7.475 -3.183 1.974
49 HG23 VAL 5 HG23 VAL 5 7.640 -4.862 1.456
50 H CYS 6 HN CYS 6 3.862 -3.248 -1.248
51 HA CYS 6 HA CYS 6 1.908 -2.711 0.744
52 HB2 CYS 6 HB2 CYS 6 1.411 -2.982 -1.700
53 HB3 CYS 6 HB1 CYS 6 1.710 -4.705 -1.516
54 H ILE 7 HN ILE 7 1.425 -3.821 2.478
55 HA ILE 7 HA ILE 7 2.950 -6.060 3.278
56 HB ILE 7 HB ILE 7 0.504 -4.759 4.503
57 HG12 ILE 7 HG12 ILE 7 2.296 -3.962 6.178
58 HG13 ILE 7 HG11 ILE 7 3.467 -4.408 4.946
59 HG21 ILE 7 HG21 ILE 7 2.386 -6.764 5.721
60 HG22 ILE 7 HG22 ILE 7 0.711 -7.052 5.257
61 HG23 ILE 7 HG23 ILE 7 1.083 -5.925 6.562
62 HD11 ILE 7 HD11 ILE 7 1.230 -2.442 4.525
63 HD12 ILE 7 HD12 ILE 7 2.558 -2.801 3.419
64 HD13 ILE 7 HD13 ILE 7 2.882 -2.008 4.961
65 H HIS 8 HN HIS 8 -0.029 -5.676 1.582
66 HA HIS 8 HA HIS 8 -1.043 -8.259 2.485
67 HB2 HIS 8 HB2 HIS 8 -2.550 -6.258 2.335
68 HB3 HIS 8 HB1 HIS 8 -2.362 -6.319 0.579
69 HD1 HIS 8 HD1 HIS 8 -3.825 -8.281 3.453
70 HD2 HIS 8 HD2 HIS 8 -3.969 -8.169 -0.708
71 HE1 HIS 8 HE1 HIS 8 -5.704 -9.819 2.792
72 HE2 HIS 8 HE2 HIS 8 -5.849 -9.662 0.280
73 H CYS 9 HN CYS 9 0.112 -6.737 -0.538
74 HA CYS 9 HA CYS 9 -0.184 -9.384 -1.767
75 HB2 CYS 9 HB2 CYS 9 -0.857 -8.385 -3.803
76 HB3 CYS 9 HB1 CYS 9 -1.828 -7.665 -2.536
77 H GLN 10 HN GLN 10 2.043 -7.201 -0.764
78 HA GLN 10 HA GLN 10 4.303 -7.255 -0.838
79 HB2 GLN 10 HB2 GLN 10 3.829 -9.735 -2.490
80 HB3 GLN 10 HB1 GLN 10 5.415 -9.213 -1.920
81 HG2 GLN 10 HG2 GLN 10 4.702 -9.460 0.377
82 HG3 GLN 10 HG1 GLN 10 3.071 -9.877 -0.149
83 HE21 GLN 10 HE21 GLN 10 4.020 -11.473 -2.390
84 HE22 GLN 10 HE22 GLN 10 4.622 -12.957 -1.705
85 H ARG 11 HN ARG 11 3.214 -5.444 -2.531
86 HA ARG 11 HA ARG 11 4.978 -5.580 -4.869
87 HB2 ARG 11 HB2 ARG 11 2.203 -4.543 -4.533
88 HB3 ARG 11 HB1 ARG 11 3.265 -3.737 -5.685
89 HG2 ARG 11 HG2 ARG 11 3.563 -5.774 -6.919
90 HG3 ARG 11 HG1 ARG 11 2.675 -6.689 -5.700
91 HD2 ARG 11 HD2 ARG 11 1.358 -6.146 -7.746
92 HD3 ARG 11 HD1 ARG 11 0.639 -5.575 -6.242
93 HE ARG 11 HE ARG 11 2.279 -3.616 -7.598
94 HH11 ARG 11 HH11 ARG 11 -0.906 -5.056 -7.379
95 HH12 ARG 11 HH12 ARG 11 -1.741 -3.617 -7.894
96 HH21 ARG 11 HH21 ARG 11 1.190 -1.715 -8.295
97 HH22 ARG 11 HH22 ARG 11 -0.545 -1.710 -8.408
98 H GLN 12 HN GLN 12 6.158 -3.709 -5.421
99 HA GLN 12 HA GLN 12 6.835 -2.152 -3.054
100 HB2 GLN 12 HB2 GLN 12 8.224 -2.347 -5.728
101 HB3 GLN 12 HB1 GLN 12 8.856 -1.588 -4.282
102 HG2 GLN 12 HG2 GLN 12 8.978 -3.701 -3.156
103 HG3 GLN 12 HG1 GLN 12 8.201 -4.506 -4.521
104 HE21 GLN 12 HE21 GLN 12 9.919 -5.889 -4.847
105 HE22 GLN 12 HE22 GLN 12 11.441 -5.357 -5.503
106 H PHE 13 HN PHE 13 6.291 -0.074 -2.806
107 HA PHE 13 HA PHE 13 5.679 1.506 -5.220
108 HB2 PHE 13 HB2 PHE 13 4.303 1.637 -2.522
109 HB3 PHE 13 HB1 PHE 13 4.023 2.769 -3.853
110 HD1 PHE 13 HD1 PHE 13 2.945 1.996 -5.916
111 HD2 PHE 13 HD2 PHE 13 3.356 -0.537 -2.528
112 HE1 PHE 13 HE1 PHE 13 1.265 0.474 -6.859
113 HE2 PHE 13 HE2 PHE 13 1.672 -2.069 -3.465
114 HZ PHE 13 HZ PHE 13 0.623 -1.562 -5.631
115 H ALA 14 HN ALA 14 5.839 3.889 -4.784
116 HA ALA 14 HA ALA 14 8.536 4.312 -3.781
117 HB1 ALA 14 HB1 ALA 14 6.739 6.275 -5.189
118 HB2 ALA 14 HB2 ALA 14 7.761 5.099 -6.032
119 HB3 ALA 14 HB3 ALA 14 8.496 6.346 -5.022
120 H ASP 15 HN ASP 15 5.263 5.313 -3.054
121 HA ASP 15 HA ASP 15 6.329 7.275 -1.136
122 HB2 ASP 15 HB2 ASP 15 3.763 7.430 -2.732
123 HB3 ASP 15 HB1 ASP 15 4.316 8.614 -1.567
124 HA PRO 16 HA PRO 16 4.113 5.104 2.065
125 HB2 PRO 16 HB2 PRO 16 3.878 7.795 3.278
126 HB3 PRO 16 HB1 PRO 16 4.589 6.322 3.941
127 HG2 PRO 16 HG2 PRO 16 6.117 8.364 3.131
128 HG3 PRO 16 HG1 PRO 16 6.623 6.678 2.921
129 HD2 PRO 16 HD2 PRO 16 5.532 8.596 0.905
130 HD3 PRO 16 HD1 PRO 16 6.792 7.350 0.723
131 H GLY 17 HN GLY 17 3.038 8.201 0.763
132 HA2 GLY 17 HA2 GLY 17 0.347 8.106 1.560
133 HA3 GLY 17 HA1 GLY 17 0.974 8.982 0.171
134 H ALA 18 HN ALA 18 2.012 6.692 -1.197
135 HA ALA 18 HA ALA 18 -0.336 5.902 -2.579
136 HB1 ALA 18 HB1 ALA 18 1.122 4.403 -3.844
137 HB2 ALA 18 HB2 ALA 18 2.453 4.799 -2.756
138 HB3 ALA 18 HB3 ALA 18 1.746 6.052 -3.779
139 H LEU 19 HN LEU 19 1.592 4.442 -0.028
140 HA LEU 19 HA LEU 19 0.440 1.866 -0.259
141 HB2 LEU 19 HB2 LEU 19 2.194 3.274 1.638
142 HB3 LEU 19 HB1 LEU 19 1.144 2.063 2.377
143 HG LEU 19 HG LEU 19 3.337 1.131 1.825
144 HD11 LEU 19 HD11 LEU 19 1.360 -0.313 1.766
145 HD12 LEU 19 HD12 LEU 19 2.577 -0.823 0.596
146 HD13 LEU 19 HD13 LEU 19 1.147 0.053 0.052
147 HD21 LEU 19 HD21 LEU 19 3.849 2.591 -0.074
148 HD22 LEU 19 HD22 LEU 19 2.625 1.759 -1.035
149 HD23 LEU 19 HD23 LEU 19 4.057 0.887 -0.474
150 H GLN 20 HN GLN 20 -0.427 4.866 1.208
151 HA GLN 20 HA GLN 20 -2.394 3.700 2.840
152 HB2 GLN 20 HB2 GLN 20 -2.254 6.587 2.014
153 HB3 GLN 20 HB1 GLN 20 -3.099 5.937 3.412
154 HG2 GLN 20 HG2 GLN 20 -0.114 5.887 3.029
155 HG3 GLN 20 HG1 GLN 20 -0.992 7.079 3.981
156 HE21 GLN 20 HE21 GLN 20 0.190 6.500 5.815
157 HE22 GLN 20 HE22 GLN 20 -0.147 5.039 6.686
158 H ARG 21 HN ARG 21 -2.327 5.276 -0.193
159 HA ARG 21 HA ARG 21 -5.117 5.153 -0.732
160 HB2 ARG 21 HB2 ARG 21 -2.701 5.929 -2.140
161 HB3 ARG 21 HB1 ARG 21 -3.776 5.014 -3.186
162 HG2 ARG 21 HG2 ARG 21 -4.236 7.362 -3.411
163 HG3 ARG 21 HG1 ARG 21 -5.602 6.570 -2.621
164 HD2 ARG 21 HD2 ARG 21 -4.595 7.284 -0.424
165 HD3 ARG 21 HD1 ARG 21 -3.467 8.273 -1.354
166 HE ARG 21 HE ARG 21 -6.352 8.637 -1.728
167 HH11 ARG 21 HH11 ARG 21 -3.246 9.902 -0.714
168 HH12 ARG 21 HH12 ARG 21 -3.830 11.522 -0.523
169 HH21 ARG 21 HH21 ARG 21 -7.119 10.757 -1.494
170 HH22 ARG 21 HH22 ARG 21 -6.038 12.021 -0.989
171 H HIS 22 HN HIS 22 -2.407 3.012 -1.029
172 HA HIS 22 HA HIS 22 -3.610 1.174 -2.859
173 HB2 HIS 22 HB2 HIS 22 -1.141 1.458 -2.355
174 HB3 HIS 22 HB1 HIS 22 -1.426 0.528 -0.899
175 HD1 HIS 22 HD1 HIS 22 -2.011 0.086 -4.663
176 HD2 HIS 22 HD2 HIS 22 -1.122 -2.060 -1.216
177 HE1 HIS 22 HE1 HIS 22 -1.673 -2.314 -5.387
178 H VAL 23 HN VAL 23 -3.195 1.230 0.659
179 HA VAL 23 HA VAL 23 -4.165 -1.381 0.961
180 HB VAL 23 HB VAL 23 -3.955 0.837 3.005
181 HG11 VAL 23 HG11 VAL 23 -4.203 -0.919 4.709
182 HG12 VAL 23 HG12 VAL 23 -4.542 -2.095 3.439
183 HG13 VAL 23 HG13 VAL 23 -5.656 -0.758 3.723
184 HG21 VAL 23 HG21 VAL 23 -2.239 -1.588 2.471
185 HG22 VAL 23 HG22 VAL 23 -1.989 -0.416 3.762
186 HG23 VAL 23 HG23 VAL 23 -1.828 0.081 2.077
187 H ARG 24 HN ARG 24 -5.677 1.780 0.936
188 HA ARG 24 HA ARG 24 -8.266 1.027 1.705
189 HB2 ARG 24 HB2 ARG 24 -7.406 3.199 -0.212
190 HB3 ARG 24 HB1 ARG 24 -9.003 3.059 0.510
191 HG2 ARG 24 HG2 ARG 24 -8.006 3.305 2.732
192 HG3 ARG 24 HG1 ARG 24 -6.421 3.479 1.991
193 HD2 ARG 24 HD2 ARG 24 -7.399 5.648 2.588
194 HD3 ARG 24 HD1 ARG 24 -7.128 5.492 0.854
195 HE ARG 24 HE ARG 24 -9.621 4.867 0.827
196 HH11 ARG 24 HH11 ARG 24 -8.184 7.128 3.092
197 HH12 ARG 24 HH12 ARG 24 -9.621 8.096 3.225
198 HH21 ARG 24 HH21 ARG 24 -11.510 6.110 1.032
199 HH22 ARG 24 HH22 ARG 24 -11.517 7.502 2.072
200 H ILE 25 HN ILE 25 -6.550 0.671 -1.325
201 HA ILE 25 HA ILE 25 -8.731 0.017 -2.976
202 HB ILE 25 HB ILE 25 -5.821 -0.768 -3.104
203 HG12 ILE 25 HG12 ILE 25 -6.176 1.580 -3.436
204 HG13 ILE 25 HG11 ILE 25 -5.789 0.856 -4.983
205 HG21 ILE 25 HG21 ILE 25 -7.028 -2.462 -4.270
206 HG22 ILE 25 HG22 ILE 25 -6.250 -1.395 -5.439
207 HG23 ILE 25 HG23 ILE 25 -7.978 -1.249 -5.128
208 HD11 ILE 25 HD11 ILE 25 -8.543 1.608 -4.031
209 HD12 ILE 25 HD12 ILE 25 -8.146 0.895 -5.595
210 HD13 ILE 25 HD13 ILE 25 -7.561 2.510 -5.187
211 H HIS 26 HN HIS 26 -6.566 -2.011 -1.005
212 HA HIS 26 HA HIS 26 -7.821 -4.468 -1.638
213 HB2 HIS 26 HB2 HIS 26 -6.084 -3.598 0.655
214 HB3 HIS 26 HB1 HIS 26 -6.792 -5.204 0.609
215 HD1 HIS 26 HD1 HIS 26 -6.277 -5.947 -2.364
216 HD2 HIS 26 HD2 HIS 26 -3.512 -4.099 0.140
217 HE1 HIS 26 HE1 HIS 26 -3.967 -6.493 -3.302
218 H THR 27 HN THR 27 -8.567 -1.929 0.596
219 HA THR 27 HA THR 27 -10.523 -3.593 1.977
220 HB THR 27 HB THR 27 -10.109 -0.669 2.537
221 HG1 THR 27 HG1 THR 27 -8.026 -1.788 2.521
222 HG21 THR 27 HG21 THR 27 -10.727 -1.361 4.805
223 HG22 THR 27 HG22 THR 27 -10.812 -3.041 4.275
224 HG23 THR 27 HG23 THR 27 -11.960 -1.860 3.645
225 H GLY 28 HN GLY 28 -10.712 -2.692 -0.874
226 HA2 GLY 28 HA2 GLY 28 -12.985 -0.939 -0.984
227 HA3 GLY 28 HA1 GLY 28 -12.335 -1.899 -2.310
228 H GLU 29 HN GLU 29 -13.977 -2.369 0.796
229 HA GLU 29 HA GLU 29 -15.098 -4.879 0.014
230 HB2 GLU 29 HB2 GLU 29 -15.698 -3.074 2.364
231 HB3 GLU 29 HB1 GLU 29 -16.328 -4.702 2.172
232 HG2 GLU 29 HG2 GLU 29 -14.027 -5.568 2.168
233 HG3 GLU 29 HG1 GLU 29 -13.434 -3.931 2.442
234 H LYS 30 HN LYS 30 -15.914 -1.716 -0.668
235 HA LYS 30 HA LYS 30 -18.653 -2.519 -1.375
236 HB2 LYS 30 HB2 LYS 30 -18.493 -0.612 0.229
237 HB3 LYS 30 HB1 LYS 30 -17.584 0.287 -0.979
238 HG2 LYS 30 HG2 LYS 30 -19.517 0.197 -2.483
239 HG3 LYS 30 HG1 LYS 30 -20.427 -0.673 -1.248
240 HD2 LYS 30 HD2 LYS 30 -19.291 2.111 -0.985
241 HD3 LYS 30 HD1 LYS 30 -20.987 1.705 -1.252
242 HE2 LYS 30 HE2 LYS 30 -19.344 0.916 1.154
243 HE3 LYS 30 HE1 LYS 30 -20.516 2.232 1.102
244 HZ1 LYS 30 HZ1 LYS 30 -21.394 0.173 2.093
245 HZ2 LYS 30 HZ2 LYS 30 -21.177 -0.627 0.614
246 HZ3 LYS 30 HZ3 LYS 30 -22.273 0.662 0.729
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 14.151 -5.639 0.426
2 H2 MET 1 HT2 MET 1 14.133 -5.587 -1.270
3 H3 MET 1 HT3 MET 1 12.933 -6.442 -0.436
4 HA MET 1 HA MET 1 12.133 -4.325 -1.288
5 HB2 MET 1 HB2 MET 1 11.107 -3.539 0.791
6 HB3 MET 1 HB1 MET 1 11.089 -5.292 0.700
7 HG2 MET 1 HG2 MET 1 11.686 -4.934 2.881
8 HG3 MET 1 HG1 MET 1 13.254 -5.142 2.108
9 HE1 MET 1 HE1 MET 1 14.506 -4.047 4.156
10 HE2 MET 1 HE2 MET 1 12.956 -3.883 4.983
11 HE3 MET 1 HE3 MET 1 14.048 -2.501 4.874
12 H LYS 2 HN LYS 2 12.059 -1.990 -0.873
13 HA LYS 2 HA LYS 2 14.339 -0.728 0.341
14 HB2 LYS 2 HB2 LYS 2 15.246 -1.353 -1.884
15 HB3 LYS 2 HB1 LYS 2 13.944 -0.451 -2.650
16 HG2 LYS 2 HG2 LYS 2 15.925 0.878 -2.685
17 HG3 LYS 2 HG1 LYS 2 14.785 1.602 -1.550
18 HD2 LYS 2 HD2 LYS 2 15.999 0.492 0.304
19 HD3 LYS 2 HD1 LYS 2 17.174 -0.113 -0.865
20 HE2 LYS 2 HE2 LYS 2 18.059 1.863 0.185
21 HE3 LYS 2 HE1 LYS 2 17.681 2.231 -1.497
22 HZ1 LYS 2 HZ1 LYS 2 15.996 2.907 0.854
23 HZ2 LYS 2 HZ2 LYS 2 15.613 3.257 -0.764
24 HZ3 LYS 2 HZ3 LYS 2 16.950 3.997 -0.028
25 HA PRO 3 HA PRO 3 10.918 2.419 -0.713
26 HB2 PRO 3 HB2 PRO 3 9.002 1.897 -2.491
27 HB3 PRO 3 HB1 PRO 3 10.610 2.418 -3.023
28 HG2 PRO 3 HG2 PRO 3 9.428 -0.327 -2.969
29 HG3 PRO 3 HG1 PRO 3 10.427 0.438 -4.217
30 HD2 PRO 3 HD2 PRO 3 11.377 -1.307 -2.296
31 HD3 PRO 3 HD1 PRO 3 12.371 -0.123 -3.164
32 H TYR 4 HN TYR 4 8.314 2.474 -0.550
33 HA TYR 4 HA TYR 4 7.688 0.722 1.641
34 HB2 TYR 4 HB2 TYR 4 6.020 2.848 0.241
35 HB3 TYR 4 HB1 TYR 4 5.499 1.933 1.663
36 HD1 TYR 4 HD1 TYR 4 8.068 4.327 0.466
37 HD2 TYR 4 HD2 TYR 4 6.160 2.556 3.826
38 HE1 TYR 4 HE1 TYR 4 9.196 5.936 1.943
39 HE2 TYR 4 HE2 TYR 4 7.282 4.159 5.315
40 HH TYR 4 HH TYR 4 8.879 6.928 4.171
41 H VAL 5 HN VAL 5 6.716 -1.186 1.493
42 HA VAL 5 HA VAL 5 5.606 -1.920 -1.119
43 HB VAL 5 HB VAL 5 6.291 -4.176 -0.710
44 HG11 VAL 5 HG11 VAL 5 8.533 -2.260 -0.102
45 HG12 VAL 5 HG12 VAL 5 7.946 -2.711 -1.702
46 HG13 VAL 5 HG13 VAL 5 8.732 -3.915 -0.680
47 HG21 VAL 5 HG21 VAL 5 5.937 -4.265 1.712
48 HG22 VAL 5 HG22 VAL 5 7.357 -3.246 1.956
49 HG23 VAL 5 HG23 VAL 5 7.539 -4.863 1.276
50 H CYS 6 HN CYS 6 3.732 -3.120 -1.211
51 HA CYS 6 HA CYS 6 1.849 -2.723 0.862
52 HB2 CYS 6 HB2 CYS 6 1.175 -2.899 -1.485
53 HB3 CYS 6 HB1 CYS 6 1.722 -4.568 -1.523
54 H ILE 7 HN ILE 7 1.382 -3.889 2.546
55 HA ILE 7 HA ILE 7 2.994 -6.107 3.288
56 HB ILE 7 HB ILE 7 0.591 -4.779 4.573
57 HG12 ILE 7 HG12 ILE 7 2.391 -4.088 6.255
58 HG13 ILE 7 HG11 ILE 7 3.568 -4.622 5.059
59 HG21 ILE 7 HG21 ILE 7 0.629 -7.070 5.294
60 HG22 ILE 7 HG22 ILE 7 1.170 -6.032 6.614
61 HG23 ILE 7 HG23 ILE 7 2.345 -6.960 5.681
62 HD11 ILE 7 HD11 ILE 7 1.504 -2.468 4.667
63 HD12 ILE 7 HD12 ILE 7 2.682 -2.999 3.466
64 HD13 ILE 7 HD13 ILE 7 3.227 -2.222 4.955
65 H HIS 8 HN HIS 8 -0.079 -5.659 1.779
66 HA HIS 8 HA HIS 8 -1.075 -8.258 2.582
67 HB2 HIS 8 HB2 HIS 8 -2.440 -6.070 2.295
68 HB3 HIS 8 HB1 HIS 8 -2.425 -6.479 0.578
69 HD1 HIS 8 HD1 HIS 8 -4.140 -7.193 3.719
70 HD2 HIS 8 HD2 HIS 8 -3.732 -9.028 0.009
71 HE1 HIS 8 HE1 HIS 8 -6.002 -8.881 3.587
72 HE2 HIS 8 HE2 HIS 8 -5.799 -9.911 1.289
73 H CYS 9 HN CYS 9 0.001 -6.719 -0.484
74 HA CYS 9 HA CYS 9 -0.185 -9.403 -1.650
75 HB2 CYS 9 HB2 CYS 9 -0.927 -8.500 -3.701
76 HB3 CYS 9 HB1 CYS 9 -1.930 -7.802 -2.444
77 H GLN 10 HN GLN 10 1.947 -7.094 -0.744
78 HA GLN 10 HA GLN 10 4.197 -6.973 -0.911
79 HB2 GLN 10 HB2 GLN 10 3.898 -9.481 -2.569
80 HB3 GLN 10 HB1 GLN 10 5.430 -8.839 -1.975
81 HG2 GLN 10 HG2 GLN 10 4.774 -9.198 0.296
82 HG3 GLN 10 HG1 GLN 10 3.139 -9.640 -0.195
83 HE21 GLN 10 HE21 GLN 10 6.461 -10.651 -0.029
84 HE22 GLN 10 HE22 GLN 10 6.170 -12.337 -0.360
85 H ARG 11 HN ARG 11 3.027 -5.192 -2.464
86 HA ARG 11 HA ARG 11 4.547 -5.234 -4.967
87 HB2 ARG 11 HB2 ARG 11 1.964 -3.826 -4.267
88 HB3 ARG 11 HB1 ARG 11 2.853 -3.568 -5.758
89 HG2 ARG 11 HG2 ARG 11 1.734 -6.222 -4.885
90 HG3 ARG 11 HG1 ARG 11 0.907 -5.103 -5.966
91 HD2 ARG 11 HD2 ARG 11 1.942 -6.723 -7.342
92 HD3 ARG 11 HD1 ARG 11 2.914 -5.261 -7.483
93 HE ARG 11 HE ARG 11 4.233 -6.572 -5.570
94 HH11 ARG 11 HH11 ARG 11 2.902 -7.756 -8.580
95 HH12 ARG 11 HH12 ARG 11 4.171 -8.913 -8.831
96 HH21 ARG 11 HH21 ARG 11 5.888 -8.106 -5.870
97 HH22 ARG 11 HH22 ARG 11 5.871 -9.133 -7.272
98 H GLN 12 HN GLN 12 5.939 -3.514 -5.345
99 HA GLN 12 HA GLN 12 6.525 -1.934 -2.962
100 HB2 GLN 12 HB2 GLN 12 8.142 -2.159 -5.497
101 HB3 GLN 12 HB1 GLN 12 8.680 -1.571 -3.936
102 HG2 GLN 12 HG2 GLN 12 8.113 -3.927 -3.084
103 HG3 GLN 12 HG1 GLN 12 8.122 -4.374 -4.790
104 HE21 GLN 12 HE21 GLN 12 10.074 -4.222 -5.962
105 HE22 GLN 12 HE22 GLN 12 11.613 -4.140 -5.152
106 H PHE 13 HN PHE 13 6.239 0.219 -2.824
107 HA PHE 13 HA PHE 13 5.820 1.746 -5.302
108 HB2 PHE 13 HB2 PHE 13 3.972 1.641 -2.925
109 HB3 PHE 13 HB1 PHE 13 4.034 3.062 -3.973
110 HD1 PHE 13 HD2 PHE 13 3.174 -0.509 -3.801
111 HD2 PHE 13 HD1 PHE 13 3.141 3.020 -6.176
112 HE1 PHE 13 HE2 PHE 13 1.648 -1.596 -5.398
113 HE2 PHE 13 HE1 PHE 13 1.614 1.944 -7.772
114 HZ PHE 13 HZ PHE 13 0.865 -0.371 -7.385
115 H ALA 14 HN ALA 14 6.264 3.924 -5.181
116 HA ALA 14 HA ALA 14 8.716 4.424 -3.927
117 HB1 ALA 14 HB1 ALA 14 7.860 5.385 -6.086
118 HB2 ALA 14 HB2 ALA 14 8.672 6.521 -5.008
119 HB3 ALA 14 HB3 ALA 14 6.910 6.510 -5.107
120 H ASP 15 HN ASP 15 5.462 5.340 -2.992
121 HA ASP 15 HA ASP 15 6.591 6.958 -0.814
122 HB2 ASP 15 HB2 ASP 15 4.273 7.697 -2.613
123 HB3 ASP 15 HB1 ASP 15 4.726 8.566 -1.163
124 HA PRO 16 HA PRO 16 3.903 4.634 1.808
125 HB2 PRO 16 HB2 PRO 16 3.621 6.466 3.823
126 HB3 PRO 16 HB1 PRO 16 5.051 5.446 3.620
127 HG2 PRO 16 HG2 PRO 16 4.620 8.293 2.819
128 HG3 PRO 16 HG1 PRO 16 6.053 7.533 3.536
129 HD2 PRO 16 HD2 PRO 16 5.887 8.094 0.898
130 HD3 PRO 16 HD1 PRO 16 6.768 6.678 1.511
131 H GLY 17 HN GLY 17 3.157 7.897 0.783
132 HA2 GLY 17 HA2 GLY 17 0.451 8.019 1.485
133 HA3 GLY 17 HA1 GLY 17 1.179 8.830 0.101
134 H ALA 18 HN ALA 18 2.032 6.629 -1.360
135 HA ALA 18 HA ALA 18 -0.390 5.848 -2.618
136 HB1 ALA 18 HB1 ALA 18 2.406 4.830 -3.043
137 HB2 ALA 18 HB2 ALA 18 1.607 6.119 -3.944
138 HB3 ALA 18 HB3 ALA 18 1.014 4.460 -4.058
139 H LEU 19 HN LEU 19 1.568 4.461 -0.111
140 HA LEU 19 HA LEU 19 0.458 1.843 -0.357
141 HB2 LEU 19 HB2 LEU 19 2.270 3.237 1.510
142 HB3 LEU 19 HB1 LEU 19 1.278 1.973 2.232
143 HG LEU 19 HG LEU 19 3.469 1.115 1.553
144 HD11 LEU 19 HD11 LEU 19 2.692 -0.796 0.255
145 HD12 LEU 19 HD12 LEU 19 1.214 0.075 -0.156
146 HD13 LEU 19 HD13 LEU 19 1.537 -0.377 1.518
147 HD21 LEU 19 HD21 LEU 19 3.858 2.670 -0.315
148 HD22 LEU 19 HD22 LEU 19 2.628 1.822 -1.254
149 HD23 LEU 19 HD23 LEU 19 4.109 0.985 -0.774
150 H GLN 20 HN GLN 20 -0.372 4.837 1.136
151 HA GLN 20 HA GLN 20 -2.384 3.724 2.755
152 HB2 GLN 20 HB2 GLN 20 -2.106 6.566 1.804
153 HB3 GLN 20 HB1 GLN 20 -3.170 6.030 3.096
154 HG2 GLN 20 HG2 GLN 20 -1.269 5.409 4.452
155 HG3 GLN 20 HG1 GLN 20 -0.168 5.834 3.141
156 HE21 GLN 20 HE21 GLN 20 0.897 7.372 4.372
157 HE22 GLN 20 HE22 GLN 20 0.182 8.901 4.771
158 H ARG 21 HN ARG 21 -2.263 5.278 -0.298
159 HA ARG 21 HA ARG 21 -4.961 5.033 -1.062
160 HB2 ARG 21 HB2 ARG 21 -2.361 5.355 -2.461
161 HB3 ARG 21 HB1 ARG 21 -3.689 4.725 -3.414
162 HG2 ARG 21 HG2 ARG 21 -3.698 7.030 -3.789
163 HG3 ARG 21 HG1 ARG 21 -5.008 6.755 -2.643
164 HD2 ARG 21 HD2 ARG 21 -2.280 7.461 -1.648
165 HD3 ARG 21 HD1 ARG 21 -3.332 8.721 -2.285
166 HE ARG 21 HE ARG 21 -4.815 7.285 -0.425
167 HH11 ARG 21 HH11 ARG 21 -1.950 9.288 -0.493
168 HH12 ARG 21 HH12 ARG 21 -2.174 9.905 1.119
169 HH21 ARG 21 HH21 ARG 21 -5.147 8.114 1.707
170 HH22 ARG 21 HH22 ARG 21 -4.000 9.249 2.362
171 H HIS 22 HN HIS 22 -2.240 2.889 -1.059
172 HA HIS 22 HA HIS 22 -3.267 0.866 -2.756
173 HB2 HIS 22 HB2 HIS 22 -0.864 1.294 -1.883
174 HB3 HIS 22 HB1 HIS 22 -1.359 0.314 -0.512
175 HD1 HIS 22 HD1 HIS 22 -0.588 0.073 -4.188
176 HD2 HIS 22 HD2 HIS 22 -1.634 -2.356 -0.985
177 HE1 HIS 22 HE1 HIS 22 -0.197 -2.314 -4.943
178 H VAL 23 HN VAL 23 -3.172 1.183 0.779
179 HA VAL 23 HA VAL 23 -4.164 -1.410 1.161
180 HB VAL 23 HB VAL 23 -4.110 0.881 3.132
181 HG11 VAL 23 HG11 VAL 23 -4.606 -2.060 3.583
182 HG12 VAL 23 HG12 VAL 23 -5.768 -0.752 3.813
183 HG13 VAL 23 HG13 VAL 23 -4.350 -0.866 4.855
184 HG21 VAL 23 HG21 VAL 23 -2.256 -1.474 2.754
185 HG22 VAL 23 HG22 VAL 23 -2.128 -0.254 4.023
186 HG23 VAL 23 HG23 VAL 23 -1.901 0.203 2.335
187 H ARG 24 HN ARG 24 -5.745 1.750 0.946
188 HA ARG 24 HA ARG 24 -8.335 0.750 1.619
189 HB2 ARG 24 HB2 ARG 24 -9.203 2.870 0.615
190 HB3 ARG 24 HB1 ARG 24 -8.021 3.098 1.892
191 HG2 ARG 24 HG2 ARG 24 -6.445 3.945 0.474
192 HG3 ARG 24 HG1 ARG 24 -7.076 3.073 -0.924
193 HD2 ARG 24 HD2 ARG 24 -7.407 5.646 -0.761
194 HD3 ARG 24 HD1 ARG 24 -8.734 4.632 -1.317
195 HE ARG 24 HE ARG 24 -9.286 4.781 1.275
196 HH11 ARG 24 HH11 ARG 24 -8.270 7.346 -0.903
197 HH12 ARG 24 HH12 ARG 24 -9.240 8.555 -0.116
198 HH21 ARG 24 HH21 ARG 24 -10.522 6.371 2.305
199 HH22 ARG 24 HH22 ARG 24 -10.523 8.007 1.703
200 H ILE 25 HN ILE 25 -6.407 0.372 -1.127
201 HA ILE 25 HA ILE 25 -8.536 -0.014 -2.997
202 HB ILE 25 HB ILE 25 -5.636 -0.838 -3.002
203 HG12 ILE 25 HG12 ILE 25 -5.999 1.504 -3.375
204 HG13 ILE 25 HG11 ILE 25 -5.513 0.763 -4.887
205 HG21 ILE 25 HG21 ILE 25 -6.818 -2.549 -4.198
206 HG22 ILE 25 HG22 ILE 25 -5.936 -1.523 -5.327
207 HG23 ILE 25 HG23 ILE 25 -7.678 -1.332 -5.141
208 HD11 ILE 25 HD11 ILE 25 -7.274 2.378 -5.250
209 HD12 ILE 25 HD12 ILE 25 -8.314 1.535 -4.104
210 HD13 ILE 25 HD13 ILE 25 -7.850 0.753 -5.615
211 H HIS 26 HN HIS 26 -6.582 -2.117 -0.900
212 HA HIS 26 HA HIS 26 -7.910 -4.527 -1.665
213 HB2 HIS 26 HB2 HIS 26 -6.255 -3.805 0.749
214 HB3 HIS 26 HB1 HIS 26 -6.990 -5.386 0.559
215 HD1 HIS 26 HD1 HIS 26 -6.314 -6.141 -2.294
216 HD2 HIS 26 HD2 HIS 26 -3.679 -4.148 0.248
217 HE1 HIS 26 HE1 HIS 26 -3.967 -6.660 -3.130
218 H THR 27 HN THR 27 -8.181 -2.397 1.161
219 HA THR 27 HA THR 27 -10.605 -3.794 1.974
220 HB THR 27 HB THR 27 -8.805 -3.266 3.647
221 HG1 THR 27 HG1 THR 27 -10.974 -1.875 4.661
222 HG21 THR 27 HG21 THR 27 -9.809 -0.431 3.402
223 HG22 THR 27 HG22 THR 27 -8.233 -1.003 2.842
224 HG23 THR 27 HG23 THR 27 -8.622 -1.031 4.562
225 H GLY 28 HN GLY 28 -11.159 -2.735 -0.303
226 HA2 GLY 28 HA2 GLY 28 -11.890 0.005 -0.378
227 HA3 GLY 28 HA1 GLY 28 -12.391 -1.232 -1.519
228 H GLU 29 HN GLU 29 -12.968 -0.703 1.931
229 HA GLU 29 HA GLU 29 -15.732 -1.364 1.792
230 HB2 GLU 29 HB2 GLU 29 -14.008 -0.082 3.910
231 HB3 GLU 29 HB1 GLU 29 -15.666 -0.581 4.163
232 HG2 GLU 29 HG2 GLU 29 -13.324 -2.341 3.518
233 HG3 GLU 29 HG1 GLU 29 -14.211 -2.253 5.037
234 H LYS 30 HN LYS 30 -13.789 1.505 1.702
235 HA LYS 30 HA LYS 30 -16.080 3.065 0.843
236 HB2 LYS 30 HB2 LYS 30 -15.929 3.511 3.258
237 HB3 LYS 30 HB1 LYS 30 -14.236 3.954 3.075
238 HG2 LYS 30 HG2 LYS 30 -15.606 5.935 3.240
239 HG3 LYS 30 HG1 LYS 30 -14.890 5.826 1.632
240 HD2 LYS 30 HD2 LYS 30 -17.021 4.850 0.809
241 HD3 LYS 30 HD1 LYS 30 -17.721 5.119 2.406
242 HE2 LYS 30 HE2 LYS 30 -16.668 7.219 0.515
243 HE3 LYS 30 HE1 LYS 30 -18.356 6.915 0.915
244 HZ1 LYS 30 HZ1 LYS 30 -17.752 7.469 3.263
245 HZ2 LYS 30 HZ2 LYS 30 -17.656 8.766 2.176
246 HZ3 LYS 30 HZ3 LYS 30 -16.240 7.995 2.693
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 14.742 -2.948 2.648
2 H2 MET 1 HT2 MET 1 14.506 -1.483 3.464
3 H3 MET 1 HT3 MET 1 15.656 -1.583 2.223
4 HA MET 1 HA MET 1 13.949 -1.962 0.597
5 HB2 MET 1 HB2 MET 1 12.156 -1.772 3.018
6 HB3 MET 1 HB1 MET 1 11.558 -1.547 1.380
7 HG2 MET 1 HG2 MET 1 12.937 -4.023 2.381
8 HG3 MET 1 HG1 MET 1 11.191 -3.818 2.251
9 HE1 MET 1 HE1 MET 1 12.911 -6.206 0.900
10 HE2 MET 1 HE2 MET 1 12.092 -6.321 -0.659
11 HE3 MET 1 HE3 MET 1 11.152 -6.084 0.814
12 H LYS 2 HN LYS 2 14.381 -0.156 -0.461
13 HA LYS 2 HA LYS 2 14.409 2.423 0.737
14 HB2 LYS 2 HB2 LYS 2 15.787 2.034 -1.203
15 HB3 LYS 2 HB1 LYS 2 14.385 1.588 -2.169
16 HG2 LYS 2 HG2 LYS 2 13.525 3.879 -1.948
17 HG3 LYS 2 HG1 LYS 2 14.965 4.315 -1.028
18 HD2 LYS 2 HD2 LYS 2 16.360 3.744 -2.963
19 HD3 LYS 2 HD1 LYS 2 14.909 3.329 -3.877
20 HE2 LYS 2 HE2 LYS 2 15.685 5.571 -4.442
21 HE3 LYS 2 HE1 LYS 2 14.106 5.624 -3.659
22 HZ1 LYS 2 HZ1 LYS 2 16.707 6.152 -2.318
23 HZ2 LYS 2 HZ2 LYS 2 15.179 6.241 -1.587
24 HZ3 LYS 2 HZ3 LYS 2 15.597 7.335 -2.812
25 HA PRO 3 HA PRO 3 10.154 3.140 -1.269
26 HB2 PRO 3 HB2 PRO 3 8.891 1.231 -2.650
27 HB3 PRO 3 HB1 PRO 3 10.162 2.217 -3.401
28 HG2 PRO 3 HG2 PRO 3 10.316 -0.563 -2.299
29 HG3 PRO 3 HG1 PRO 3 11.011 0.091 -3.793
30 HD2 PRO 3 HD2 PRO 3 12.419 -0.253 -1.464
31 HD3 PRO 3 HD1 PRO 3 12.840 0.935 -2.712
32 H TYR 4 HN TYR 4 7.834 2.382 -0.942
33 HA TYR 4 HA TYR 4 7.723 0.883 1.571
34 HB2 TYR 4 HB2 TYR 4 5.842 2.882 0.288
35 HB3 TYR 4 HB1 TYR 4 5.421 1.940 1.726
36 HD1 TYR 4 HD1 TYR 4 7.935 4.366 0.424
37 HD2 TYR 4 HD2 TYR 4 6.040 2.687 3.847
38 HE1 TYR 4 HE1 TYR 4 9.053 6.027 1.854
39 HE2 TYR 4 HE2 TYR 4 7.150 4.343 5.282
40 HH TYR 4 HH TYR 4 8.753 7.075 4.052
41 H VAL 5 HN VAL 5 6.833 -1.082 1.591
42 HA VAL 5 HA VAL 5 5.781 -2.042 -0.958
43 HB VAL 5 HB VAL 5 6.452 -4.246 -0.306
44 HG11 VAL 5 HG11 VAL 5 8.862 -3.954 -0.259
45 HG12 VAL 5 HG12 VAL 5 8.664 -2.284 0.268
46 HG13 VAL 5 HG13 VAL 5 8.118 -2.770 -1.335
47 HG21 VAL 5 HG21 VAL 5 7.686 -4.660 1.797
48 HG22 VAL 5 HG22 VAL 5 6.008 -4.189 2.070
49 HG23 VAL 5 HG23 VAL 5 7.303 -3.018 2.312
50 H CYS 6 HN CYS 6 3.961 -3.278 -1.102
51 HA CYS 6 HA CYS 6 1.921 -2.785 0.834
52 HB2 CYS 6 HB2 CYS 6 1.525 -2.991 -1.635
53 HB3 CYS 6 HB1 CYS 6 1.847 -4.715 -1.489
54 H ILE 7 HN ILE 7 1.248 -4.026 2.444
55 HA ILE 7 HA ILE 7 2.823 -6.287 3.208
56 HB ILE 7 HB ILE 7 0.393 -5.010 4.496
57 HG12 ILE 7 HG12 ILE 7 2.203 -4.229 6.166
58 HG13 ILE 7 HG11 ILE 7 3.357 -4.614 4.896
59 HG21 ILE 7 HG21 ILE 7 1.049 -6.212 6.516
60 HG22 ILE 7 HG22 ILE 7 2.330 -7.017 5.611
61 HG23 ILE 7 HG23 ILE 7 0.643 -7.303 5.193
62 HD11 ILE 7 HD11 ILE 7 2.348 -2.985 3.432
63 HD12 ILE 7 HD12 ILE 7 2.750 -2.230 4.976
64 HD13 ILE 7 HD13 ILE 7 1.081 -2.663 4.615
65 H HIS 8 HN HIS 8 -0.100 -5.721 1.514
66 HA HIS 8 HA HIS 8 -1.279 -8.262 2.283
67 HB2 HIS 8 HB2 HIS 8 -2.562 -6.050 2.007
68 HB3 HIS 8 HB1 HIS 8 -2.435 -6.350 0.272
69 HD1 HIS 8 HD1 HIS 8 -4.529 -7.050 3.148
70 HD2 HIS 8 HD2 HIS 8 -3.713 -8.917 -0.483
71 HE1 HIS 8 HE1 HIS 8 -6.422 -8.656 2.767
72 HE2 HIS 8 HE2 HIS 8 -5.829 -9.886 0.650
73 H CYS 9 HN CYS 9 -0.047 -6.721 -0.718
74 HA CYS 9 HA CYS 9 -0.378 -9.350 -1.976
75 HB2 CYS 9 HB2 CYS 9 -0.761 -8.262 -4.065
76 HB3 CYS 9 HB1 CYS 9 -1.813 -7.522 -2.870
77 H GLN 10 HN GLN 10 1.910 -7.256 -0.828
78 HA GLN 10 HA GLN 10 4.168 -7.304 -0.803
79 HB2 GLN 10 HB2 GLN 10 3.839 -9.802 -2.472
80 HB3 GLN 10 HB1 GLN 10 5.362 -9.248 -1.773
81 HG2 GLN 10 HG2 GLN 10 4.381 -9.469 0.473
82 HG3 GLN 10 HG1 GLN 10 2.896 -10.082 -0.254
83 HE21 GLN 10 HE21 GLN 10 4.400 -11.518 -2.331
84 HE22 GLN 10 HE22 GLN 10 5.069 -12.922 -1.552
85 H ARG 11 HN ARG 11 3.393 -5.406 -2.353
86 HA ARG 11 HA ARG 11 5.101 -5.574 -4.719
87 HB2 ARG 11 HB2 ARG 11 2.332 -4.424 -4.441
88 HB3 ARG 11 HB1 ARG 11 3.425 -3.919 -5.730
89 HG2 ARG 11 HG2 ARG 11 3.528 -6.178 -6.580
90 HG3 ARG 11 HG1 ARG 11 2.547 -6.756 -5.234
91 HD2 ARG 11 HD2 ARG 11 1.200 -6.526 -7.244
92 HD3 ARG 11 HD1 ARG 11 0.677 -5.388 -6.005
93 HE ARG 11 HE ARG 11 2.436 -3.952 -7.525
94 HH11 ARG 11 HH11 ARG 11 -0.454 -5.816 -8.225
95 HH12 ARG 11 HH12 ARG 11 -0.917 -4.820 -9.573
96 HH21 ARG 11 HH21 ARG 11 1.827 -2.651 -9.292
97 HH22 ARG 11 HH22 ARG 11 0.386 -3.029 -10.191
98 H GLN 12 HN GLN 12 6.309 -3.730 -5.175
99 HA GLN 12 HA GLN 12 6.765 -2.071 -2.827
100 HB2 GLN 12 HB2 GLN 12 8.411 -2.340 -5.349
101 HB3 GLN 12 HB1 GLN 12 8.905 -1.576 -3.850
102 HG2 GLN 12 HG2 GLN 12 8.811 -3.716 -2.705
103 HG3 GLN 12 HG1 GLN 12 8.270 -4.492 -4.191
104 HE21 GLN 12 HE21 GLN 12 9.997 -5.876 -4.277
105 HE22 GLN 12 HE22 GLN 12 11.612 -5.341 -4.675
106 H PHE 13 HN PHE 13 6.133 -0.008 -2.704
107 HA PHE 13 HA PHE 13 5.688 1.474 -5.216
108 HB2 PHE 13 HB2 PHE 13 3.943 1.510 -2.741
109 HB3 PHE 13 HB1 PHE 13 3.813 2.672 -4.068
110 HD1 PHE 13 HD2 PHE 13 3.342 -0.815 -3.081
111 HD2 PHE 13 HD1 PHE 13 2.888 2.049 -6.190
112 HE1 PHE 13 HE2 PHE 13 1.850 -2.360 -4.276
113 HE2 PHE 13 HE1 PHE 13 1.390 0.513 -7.388
114 HZ PHE 13 HZ PHE 13 0.994 -1.726 -6.540
115 H ALA 14 HN ALA 14 6.210 3.559 -5.287
116 HA ALA 14 HA ALA 14 8.550 4.302 -3.981
117 HB1 ALA 14 HB1 ALA 14 8.450 6.284 -5.242
118 HB2 ALA 14 HB2 ALA 14 6.689 6.225 -5.332
119 HB3 ALA 14 HB3 ALA 14 7.661 5.053 -6.235
120 H ASP 15 HN ASP 15 5.232 5.088 -3.185
121 HA ASP 15 HA ASP 15 6.189 7.278 -1.464
122 HB2 ASP 15 HB2 ASP 15 3.515 7.056 -2.854
123 HB3 ASP 15 HB1 ASP 15 4.084 8.414 -1.900
124 HA PRO 16 HA PRO 16 4.185 5.222 1.953
125 HB2 PRO 16 HB2 PRO 16 3.997 7.871 3.188
126 HB3 PRO 16 HB1 PRO 16 4.932 6.468 3.706
127 HG2 PRO 16 HG2 PRO 16 6.077 8.711 2.696
128 HG3 PRO 16 HG1 PRO 16 6.786 7.098 2.517
129 HD2 PRO 16 HD2 PRO 16 5.269 8.737 0.538
130 HD3 PRO 16 HD1 PRO 16 6.657 7.652 0.286
131 H GLY 17 HN GLY 17 3.068 8.229 0.525
132 HA2 GLY 17 HA2 GLY 17 0.423 8.199 1.518
133 HA3 GLY 17 HA1 GLY 17 0.983 9.055 0.086
134 H ALA 18 HN ALA 18 1.941 6.767 -1.313
135 HA ALA 18 HA ALA 18 -0.479 5.977 -2.563
136 HB1 ALA 18 HB1 ALA 18 0.921 4.500 -3.927
137 HB2 ALA 18 HB2 ALA 18 2.310 4.913 -2.921
138 HB3 ALA 18 HB3 ALA 18 1.518 6.158 -3.888
139 H LEU 19 HN LEU 19 1.528 4.562 -0.073
140 HA LEU 19 HA LEU 19 0.417 1.956 -0.274
141 HB2 LEU 19 HB2 LEU 19 2.254 3.363 1.540
142 HB3 LEU 19 HB1 LEU 19 1.238 2.165 2.333
143 HG LEU 19 HG LEU 19 3.409 1.235 1.677
144 HD11 LEU 19 HD11 LEU 19 2.577 -0.745 0.536
145 HD12 LEU 19 HD12 LEU 19 1.111 0.121 0.075
146 HD13 LEU 19 HD13 LEU 19 1.439 -0.214 1.777
147 HD21 LEU 19 HD21 LEU 19 4.025 0.963 -0.626
148 HD22 LEU 19 HD22 LEU 19 3.752 2.677 -0.303
149 HD23 LEU 19 HD23 LEU 19 2.529 1.736 -1.158
150 H GLN 20 HN GLN 20 -0.367 4.928 1.341
151 HA GLN 20 HA GLN 20 -2.327 3.791 2.962
152 HB2 GLN 20 HB2 GLN 20 -1.962 6.621 2.047
153 HB3 GLN 20 HB1 GLN 20 -3.241 6.143 3.152
154 HG2 GLN 20 HG2 GLN 20 -1.562 5.381 4.758
155 HG3 GLN 20 HG1 GLN 20 -0.285 5.888 3.650
156 HE21 GLN 20 HE21 GLN 20 0.532 7.352 5.179
157 HE22 GLN 20 HE22 GLN 20 -0.276 8.847 5.519
158 H ARG 21 HN ARG 21 -2.378 5.346 -0.087
159 HA ARG 21 HA ARG 21 -5.114 5.116 -0.686
160 HB2 ARG 21 HB2 ARG 21 -3.180 6.325 -1.939
161 HB3 ARG 21 HB1 ARG 21 -2.916 4.777 -2.716
162 HG2 ARG 21 HG2 ARG 21 -4.393 5.424 -4.230
163 HG3 ARG 21 HG1 ARG 21 -5.629 5.180 -2.993
164 HD2 ARG 21 HD2 ARG 21 -4.152 7.742 -3.563
165 HD3 ARG 21 HD1 ARG 21 -5.818 7.386 -3.995
166 HE ARG 21 HE ARG 21 -5.248 7.198 -1.172
167 HH11 ARG 21 HH11 ARG 21 -6.256 9.260 -3.814
168 HH12 ARG 21 HH12 ARG 21 -7.017 10.436 -2.776
169 HH21 ARG 21 HH21 ARG 21 -6.230 8.725 0.199
170 HH22 ARG 21 HH22 ARG 21 -6.994 10.132 -0.483
171 H HIS 22 HN HIS 22 -2.367 3.034 -0.933
172 HA HIS 22 HA HIS 22 -3.418 1.095 -2.700
173 HB2 HIS 22 HB2 HIS 22 -0.991 1.569 -2.022
174 HB3 HIS 22 HB1 HIS 22 -1.309 0.539 -0.639
175 HD1 HIS 22 HD1 HIS 22 -1.535 0.301 -4.447
176 HD2 HIS 22 HD2 HIS 22 -0.880 -2.023 -1.071
177 HE1 HIS 22 HE1 HIS 22 -0.990 -2.021 -5.281
178 H VAL 23 HN VAL 23 -3.035 1.095 0.828
179 HA VAL 23 HA VAL 23 -3.990 -1.522 1.055
180 HB VAL 23 HB VAL 23 -3.921 0.608 3.203
181 HG11 VAL 23 HG11 VAL 23 -4.183 -2.392 3.417
182 HG12 VAL 23 HG12 VAL 23 -5.428 -1.203 3.803
183 HG13 VAL 23 HG13 VAL 23 -3.958 -1.287 4.775
184 HG21 VAL 23 HG21 VAL 23 -1.723 0.185 2.257
185 HG22 VAL 23 HG22 VAL 23 -1.939 -1.552 2.478
186 HG23 VAL 23 HG23 VAL 23 -1.825 -0.491 3.882
187 H ARG 24 HN ARG 24 -5.516 1.625 1.147
188 HA ARG 24 HA ARG 24 -8.099 0.771 1.903
189 HB2 ARG 24 HB2 ARG 24 -7.334 3.143 0.196
190 HB3 ARG 24 HB1 ARG 24 -8.876 2.905 1.008
191 HG2 ARG 24 HG2 ARG 24 -7.668 2.926 3.176
192 HG3 ARG 24 HG1 ARG 24 -6.194 3.342 2.300
193 HD2 ARG 24 HD2 ARG 24 -7.379 5.334 1.393
194 HD3 ARG 24 HD1 ARG 24 -8.745 4.940 2.436
195 HE ARG 24 HE ARG 24 -6.098 5.861 3.320
196 HH11 ARG 24 HH11 ARG 24 -9.404 5.038 4.073
197 HH12 ARG 24 HH12 ARG 24 -9.410 5.875 5.590
198 HH21 ARG 24 HH21 ARG 24 -6.087 6.955 5.323
199 HH22 ARG 24 HH22 ARG 24 -7.512 6.950 6.313
200 H ILE 25 HN ILE 25 -6.361 0.729 -1.108
201 HA ILE 25 HA ILE 25 -8.455 0.304 -2.914
202 HB ILE 25 HB ILE 25 -5.595 -0.661 -2.931
203 HG12 ILE 25 HG12 ILE 25 -6.012 1.808 -3.001
204 HG13 ILE 25 HG11 ILE 25 -5.141 1.185 -4.394
205 HG21 ILE 25 HG21 ILE 25 -6.860 -2.133 -4.328
206 HG22 ILE 25 HG22 ILE 25 -5.897 -1.058 -5.340
207 HG23 ILE 25 HG23 ILE 25 -7.624 -0.768 -5.140
208 HD11 ILE 25 HD11 ILE 25 -7.245 1.221 -5.676
209 HD12 ILE 25 HD12 ILE 25 -6.782 2.814 -5.077
210 HD13 ILE 25 HD13 ILE 25 -8.062 1.907 -4.272
211 H HIS 26 HN HIS 26 -6.434 -2.019 -1.125
212 HA HIS 26 HA HIS 26 -7.685 -4.333 -2.127
213 HB2 HIS 26 HB2 HIS 26 -6.078 -3.815 0.359
214 HB3 HIS 26 HB1 HIS 26 -6.780 -5.394 0.040
215 HD1 HIS 26 HD1 HIS 26 -6.100 -5.706 -2.968
216 HD2 HIS 26 HD2 HIS 26 -3.479 -4.235 -0.080
217 HE1 HIS 26 HE1 HIS 26 -3.742 -6.194 -3.808
218 H THR 27 HN THR 27 -8.333 -2.359 0.715
219 HA THR 27 HA THR 27 -10.244 -4.235 1.749
220 HB THR 27 HB THR 27 -8.737 -2.879 3.197
221 HG1 THR 27 HG1 THR 27 -11.555 -2.709 3.569
222 HG21 THR 27 HG21 THR 27 -9.361 -0.563 3.689
223 HG22 THR 27 HG22 THR 27 -10.570 -0.623 2.406
224 HG23 THR 27 HG23 THR 27 -8.856 -0.763 2.009
225 H GLY 28 HN GLY 28 -10.431 -2.085 -0.717
226 HA2 GLY 28 HA2 GLY 28 -12.235 -1.394 -1.960
227 HA3 GLY 28 HA1 GLY 28 -13.255 -2.341 -0.888
228 H GLU 29 HN GLU 29 -11.288 -0.115 0.710
229 HA GLU 29 HA GLU 29 -13.570 1.441 1.499
230 HB2 GLU 29 HB2 GLU 29 -12.158 1.020 3.274
231 HB3 GLU 29 HB1 GLU 29 -10.710 1.196 2.298
232 HG2 GLU 29 HG2 GLU 29 -10.972 3.569 2.272
233 HG3 GLU 29 HG1 GLU 29 -12.478 3.452 3.185
234 H LYS 30 HN LYS 30 -10.735 1.833 -0.519
235 HA LYS 30 HA LYS 30 -11.803 4.428 -1.405
236 HB2 LYS 30 HB2 LYS 30 -9.801 4.851 -0.089
237 HB3 LYS 30 HB1 LYS 30 -8.899 3.667 -1.023
238 HG2 LYS 30 HG2 LYS 30 -8.281 5.860 -1.747
239 HG3 LYS 30 HG1 LYS 30 -9.204 5.081 -3.032
240 HD2 LYS 30 HD2 LYS 30 -11.220 6.296 -2.257
241 HD3 LYS 30 HD1 LYS 30 -10.218 7.138 -1.072
242 HE2 LYS 30 HE2 LYS 30 -8.831 8.007 -2.921
243 HE3 LYS 30 HE1 LYS 30 -9.921 7.232 -4.069
244 HZ1 LYS 30 HZ1 LYS 30 -10.590 9.403 -2.162
245 HZ2 LYS 30 HZ2 LYS 30 -11.736 8.585 -3.111
246 HZ3 LYS 30 HZ3 LYS 30 -10.525 9.511 -3.855
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 17.776 3.266 -1.061
2 H2 MET 1 HT2 MET 1 17.872 4.036 0.448
3 H3 MET 1 HT3 MET 1 18.080 4.932 -0.982
4 HA MET 1 HA MET 1 15.903 5.318 -0.035
5 HB2 MET 1 HB2 MET 1 16.089 5.467 -2.447
6 HB3 MET 1 HB1 MET 1 15.947 3.721 -2.607
7 HG2 MET 1 HG2 MET 1 13.654 3.918 -1.611
8 HG3 MET 1 HG1 MET 1 13.825 5.668 -1.754
9 HE1 MET 1 HE1 MET 1 11.519 5.575 -3.125
10 HE2 MET 1 HE2 MET 1 11.476 3.814 -3.085
11 HE3 MET 1 HE3 MET 1 11.305 4.665 -4.623
12 H LYS 2 HN LYS 2 14.380 4.549 1.259
13 HA LYS 2 HA LYS 2 13.893 1.644 1.293
14 HB2 LYS 2 HB2 LYS 2 14.569 2.573 3.454
15 HB3 LYS 2 HB1 LYS 2 13.272 3.757 3.370
16 HG2 LYS 2 HG2 LYS 2 12.698 1.930 4.865
17 HG3 LYS 2 HG1 LYS 2 11.619 1.967 3.471
18 HD2 LYS 2 HD2 LYS 2 13.012 0.206 2.413
19 HD3 LYS 2 HD1 LYS 2 13.971 0.126 3.892
20 HE2 LYS 2 HE2 LYS 2 11.934 -0.466 5.146
21 HE3 LYS 2 HE1 LYS 2 11.020 -0.439 3.639
22 HZ1 LYS 2 HZ1 LYS 2 11.607 -2.681 4.180
23 HZ2 LYS 2 HZ2 LYS 2 13.249 -2.280 4.321
24 HZ3 LYS 2 HZ3 LYS 2 12.489 -2.212 2.808
25 HA PRO 3 HA PRO 3 10.162 3.190 -0.779
26 HB2 PRO 3 HB2 PRO 3 9.574 0.926 -2.097
27 HB3 PRO 3 HB1 PRO 3 10.872 2.005 -2.640
28 HG2 PRO 3 HG2 PRO 3 11.051 -0.537 -1.068
29 HG3 PRO 3 HG1 PRO 3 12.047 0.014 -2.424
30 HD2 PRO 3 HD2 PRO 3 12.806 0.227 0.194
31 HD3 PRO 3 HD1 PRO 3 13.368 1.327 -1.079
32 H TYR 4 HN TYR 4 7.936 2.232 -0.913
33 HA TYR 4 HA TYR 4 7.317 0.912 1.638
34 HB2 TYR 4 HB2 TYR 4 5.982 3.105 0.123
35 HB3 TYR 4 HB1 TYR 4 4.942 1.949 0.969
36 HD1 TYR 4 HD1 TYR 4 7.764 4.292 1.464
37 HD2 TYR 4 HD2 TYR 4 4.622 2.099 3.305
38 HE1 TYR 4 HE1 TYR 4 8.149 5.522 3.557
39 HE2 TYR 4 HE2 TYR 4 4.997 3.324 5.405
40 HH TYR 4 HH TYR 4 6.985 6.113 5.583
41 H VAL 5 HN VAL 5 6.564 -1.072 1.510
42 HA VAL 5 HA VAL 5 5.663 -2.018 -1.108
43 HB VAL 5 HB VAL 5 6.381 -4.227 -0.442
44 HG11 VAL 5 HG11 VAL 5 8.021 -2.773 -1.502
45 HG12 VAL 5 HG12 VAL 5 8.795 -3.864 -0.354
46 HG13 VAL 5 HG13 VAL 5 8.523 -2.176 0.078
47 HG21 VAL 5 HG21 VAL 5 5.924 -4.086 1.955
48 HG22 VAL 5 HG22 VAL 5 7.279 -2.974 2.148
49 HG23 VAL 5 HG23 VAL 5 7.571 -4.641 1.653
50 H CYS 6 HN CYS 6 3.799 -3.196 -1.286
51 HA CYS 6 HA CYS 6 1.793 -2.811 0.678
52 HB2 CYS 6 HB2 CYS 6 1.365 -3.096 -1.777
53 HB3 CYS 6 HB1 CYS 6 1.744 -4.801 -1.595
54 H ILE 7 HN ILE 7 1.303 -3.976 2.386
55 HA ILE 7 HA ILE 7 3.017 -6.093 3.184
56 HB ILE 7 HB ILE 7 0.525 -4.964 4.488
57 HG12 ILE 7 HG12 ILE 7 2.305 -3.949 6.058
58 HG13 ILE 7 HG11 ILE 7 3.451 -4.289 4.767
59 HG21 ILE 7 HG21 ILE 7 2.662 -6.754 5.614
60 HG22 ILE 7 HG22 ILE 7 0.982 -7.184 5.298
61 HG23 ILE 7 HG23 ILE 7 1.371 -5.999 6.545
62 HD11 ILE 7 HD11 ILE 7 2.338 -2.799 3.287
63 HD12 ILE 7 HD12 ILE 7 2.562 -1.958 4.821
64 HD13 ILE 7 HD13 ILE 7 0.982 -2.617 4.397
65 H HIS 8 HN HIS 8 0.016 -5.865 1.536
66 HA HIS 8 HA HIS 8 -0.845 -8.486 2.499
67 HB2 HIS 8 HB2 HIS 8 -2.317 -6.282 2.204
68 HB3 HIS 8 HB1 HIS 8 -2.532 -6.959 0.588
69 HD1 HIS 8 HD1 HIS 8 -3.838 -9.217 0.409
70 HD2 HIS 8 HD2 HIS 8 -3.585 -7.663 4.259
71 HE1 HIS 8 HE1 HIS 8 -5.487 -10.530 1.783
72 HE2 HIS 8 HE2 HIS 8 -5.172 -9.702 4.144
73 H CYS 9 HN CYS 9 -0.108 -6.860 -0.615
74 HA CYS 9 HA CYS 9 -0.293 -9.530 -1.824
75 HB2 CYS 9 HB2 CYS 9 -1.008 -8.542 -3.840
76 HB3 CYS 9 HB1 CYS 9 -1.899 -7.718 -2.577
77 H GLN 10 HN GLN 10 1.851 -7.286 -0.802
78 HA GLN 10 HA GLN 10 4.094 -7.109 -0.871
79 HB2 GLN 10 HB2 GLN 10 3.869 -9.746 -2.313
80 HB3 GLN 10 HB1 GLN 10 5.400 -9.027 -1.802
81 HG2 GLN 10 HG2 GLN 10 4.642 -9.077 0.519
82 HG3 GLN 10 HG1 GLN 10 3.123 -9.809 0.005
83 HE21 GLN 10 HE21 GLN 10 6.534 -10.285 0.472
84 HE22 GLN 10 HE22 GLN 10 6.507 -12.025 0.329
85 H ARG 11 HN ARG 11 3.321 -5.319 -2.416
86 HA ARG 11 HA ARG 11 5.004 -5.530 -4.797
87 HB2 ARG 11 HB2 ARG 11 2.243 -4.391 -4.528
88 HB3 ARG 11 HB1 ARG 11 3.349 -3.794 -5.759
89 HG2 ARG 11 HG2 ARG 11 3.556 -6.062 -6.658
90 HG3 ARG 11 HG1 ARG 11 2.420 -6.638 -5.438
91 HD2 ARG 11 HD2 ARG 11 1.336 -6.254 -7.601
92 HD3 ARG 11 HD1 ARG 11 0.688 -5.210 -6.336
93 HE ARG 11 HE ARG 11 2.792 -3.955 -7.813
94 HH11 ARG 11 HH11 ARG 11 -0.627 -4.719 -7.828
95 HH12 ARG 11 HH12 ARG 11 -1.045 -3.416 -8.905
96 HH21 ARG 11 HH21 ARG 11 2.261 -2.250 -9.232
97 HH22 ARG 11 HH22 ARG 11 0.605 -2.008 -9.708
98 H GLN 12 HN GLN 12 6.412 -3.891 -5.096
99 HA GLN 12 HA GLN 12 6.779 -2.079 -2.878
100 HB2 GLN 12 HB2 GLN 12 8.388 -2.313 -5.422
101 HB3 GLN 12 HB1 GLN 12 8.890 -1.579 -3.910
102 HG2 GLN 12 HG2 GLN 12 8.840 -3.753 -2.819
103 HG3 GLN 12 HG1 GLN 12 8.304 -4.499 -4.323
104 HE21 GLN 12 HE21 GLN 12 10.049 -2.698 -5.897
105 HE22 GLN 12 HE22 GLN 12 11.653 -3.358 -5.722
106 H PHE 13 HN PHE 13 6.306 0.033 -2.815
107 HA PHE 13 HA PHE 13 5.923 1.462 -5.361
108 HB2 PHE 13 HB2 PHE 13 4.197 1.770 -2.878
109 HB3 PHE 13 HB1 PHE 13 4.134 2.820 -4.300
110 HD1 PHE 13 HD1 PHE 13 3.205 2.040 -6.392
111 HD2 PHE 13 HD2 PHE 13 3.288 -0.471 -2.959
112 HE1 PHE 13 HE1 PHE 13 1.599 0.520 -7.469
113 HE2 PHE 13 HE2 PHE 13 1.679 -1.994 -4.029
114 HZ PHE 13 HZ PHE 13 0.834 -1.499 -6.288
115 H ALA 14 HN ALA 14 5.982 3.925 -4.916
116 HA ALA 14 HA ALA 14 8.566 4.365 -3.713
117 HB1 ALA 14 HB1 ALA 14 6.714 6.359 -4.997
118 HB2 ALA 14 HB2 ALA 14 7.891 5.372 -5.872
119 HB3 ALA 14 HB3 ALA 14 8.439 6.557 -4.686
120 H ASP 15 HN ASP 15 5.279 5.554 -3.178
121 HA ASP 15 HA ASP 15 6.289 7.247 -1.005
122 HB2 ASP 15 HB2 ASP 15 3.800 7.476 -2.704
123 HB3 ASP 15 HB1 ASP 15 4.205 8.548 -1.377
124 HA PRO 16 HA PRO 16 3.841 5.005 2.012
125 HB2 PRO 16 HB2 PRO 16 3.578 7.107 3.765
126 HB3 PRO 16 HB1 PRO 16 4.994 6.053 3.691
127 HG2 PRO 16 HG2 PRO 16 4.589 8.765 2.497
128 HG3 PRO 16 HG1 PRO 16 6.017 8.100 3.313
129 HD2 PRO 16 HD2 PRO 16 5.879 8.270 0.634
130 HD3 PRO 16 HD1 PRO 16 6.687 6.906 1.443
131 H GLY 17 HN GLY 17 3.078 8.134 0.646
132 HA2 GLY 17 HA2 GLY 17 0.343 8.217 1.406
133 HA3 GLY 17 HA1 GLY 17 1.085 9.136 0.101
134 H ALA 18 HN ALA 18 2.068 6.554 -1.111
135 HA ALA 18 HA ALA 18 -0.333 6.008 -2.627
136 HB1 ALA 18 HB1 ALA 18 2.448 4.899 -2.921
137 HB2 ALA 18 HB2 ALA 18 1.737 6.219 -3.853
138 HB3 ALA 18 HB3 ALA 18 1.098 4.580 -4.008
139 H LEU 19 HN LEU 19 1.546 4.487 -0.121
140 HA LEU 19 HA LEU 19 0.392 1.905 -0.477
141 HB2 LEU 19 HB2 LEU 19 2.286 3.150 1.384
142 HB3 LEU 19 HB1 LEU 19 1.230 1.958 2.133
143 HG LEU 19 HG LEU 19 3.394 1.010 1.353
144 HD11 LEU 19 HD11 LEU 19 0.959 -0.033 -0.092
145 HD12 LEU 19 HD12 LEU 19 1.396 -0.395 1.577
146 HD13 LEU 19 HD13 LEU 19 2.428 -0.942 0.257
147 HD21 LEU 19 HD21 LEU 19 3.618 2.469 -0.643
148 HD22 LEU 19 HD22 LEU 19 2.324 1.550 -1.413
149 HD23 LEU 19 HD23 LEU 19 3.844 0.756 -0.991
150 H GLN 20 HN GLN 20 -0.371 4.823 1.255
151 HA GLN 20 HA GLN 20 -2.336 3.528 2.795
152 HB2 GLN 20 HB2 GLN 20 -2.959 5.693 3.643
153 HB3 GLN 20 HB1 GLN 20 -1.213 5.601 3.537
154 HG2 GLN 20 HG2 GLN 20 -1.325 6.821 1.387
155 HG3 GLN 20 HG1 GLN 20 -3.054 7.036 1.658
156 HE21 GLN 20 HE21 GLN 20 -2.860 9.269 1.720
157 HE22 GLN 20 HE22 GLN 20 -2.148 10.100 3.057
158 H ARG 21 HN ARG 21 -2.244 5.306 -0.098
159 HA ARG 21 HA ARG 21 -4.985 5.212 -0.795
160 HB2 ARG 21 HB2 ARG 21 -3.182 6.513 -1.965
161 HB3 ARG 21 HB1 ARG 21 -2.592 5.013 -2.633
162 HG2 ARG 21 HG2 ARG 21 -3.938 6.189 -4.267
163 HG3 ARG 21 HG1 ARG 21 -4.707 4.672 -3.797
164 HD2 ARG 21 HD2 ARG 21 -6.219 5.882 -2.315
165 HD3 ARG 21 HD1 ARG 21 -5.430 7.403 -2.732
166 HE ARG 21 HE ARG 21 -6.270 6.245 -5.114
167 HH11 ARG 21 HH11 ARG 21 -7.767 7.486 -2.200
168 HH12 ARG 21 HH12 ARG 21 -9.229 7.974 -3.008
169 HH21 ARG 21 HH21 ARG 21 -8.143 6.902 -6.184
170 HH22 ARG 21 HH22 ARG 21 -9.440 7.653 -5.293
171 H HIS 22 HN HIS 22 -2.282 3.057 -1.096
172 HA HIS 22 HA HIS 22 -3.465 1.158 -2.844
173 HB2 HIS 22 HB2 HIS 22 -1.004 1.444 -2.295
174 HB3 HIS 22 HB1 HIS 22 -1.318 0.516 -0.841
175 HD1 HIS 22 HD1 HIS 22 -1.593 0.119 -4.626
176 HD2 HIS 22 HD2 HIS 22 -1.225 -2.125 -1.147
177 HE1 HIS 22 HE1 HIS 22 -1.292 -2.280 -5.358
178 H VAL 23 HN VAL 23 -3.024 1.137 0.682
179 HA VAL 23 HA VAL 23 -4.106 -1.433 0.933
180 HB VAL 23 HB VAL 23 -3.894 0.709 3.061
181 HG11 VAL 23 HG11 VAL 23 -5.501 -0.994 3.710
182 HG12 VAL 23 HG12 VAL 23 -4.024 -1.160 4.660
183 HG13 VAL 23 HG13 VAL 23 -4.339 -2.264 3.320
184 HG21 VAL 23 HG21 VAL 23 -1.737 0.102 2.062
185 HG22 VAL 23 HG22 VAL 23 -2.057 -1.598 2.419
186 HG23 VAL 23 HG23 VAL 23 -1.854 -0.444 3.736
187 H ARG 24 HN ARG 24 -5.469 1.772 0.959
188 HA ARG 24 HA ARG 24 -8.110 1.071 1.704
189 HB2 ARG 24 HB2 ARG 24 -6.977 3.409 0.173
190 HB3 ARG 24 HB1 ARG 24 -8.672 3.282 0.632
191 HG2 ARG 24 HG2 ARG 24 -6.669 2.907 2.773
192 HG3 ARG 24 HG1 ARG 24 -6.865 4.534 2.127
193 HD2 ARG 24 HD2 ARG 24 -9.144 2.824 3.106
194 HD3 ARG 24 HD1 ARG 24 -8.303 4.006 4.110
195 HE ARG 24 HE ARG 24 -9.029 5.683 2.376
196 HH11 ARG 24 HH11 ARG 24 -10.846 2.763 3.022
197 HH12 ARG 24 HH12 ARG 24 -12.360 3.422 2.469
198 HH21 ARG 24 HH21 ARG 24 -11.010 6.564 1.654
199 HH22 ARG 24 HH22 ARG 24 -12.448 5.585 1.674
200 H ILE 25 HN ILE 25 -6.351 0.352 -1.083
201 HA ILE 25 HA ILE 25 -8.647 0.108 -2.811
202 HB ILE 25 HB ILE 25 -5.787 -0.828 -3.097
203 HG12 ILE 25 HG12 ILE 25 -7.350 1.307 -4.563
204 HG13 ILE 25 HG11 ILE 25 -6.194 1.595 -3.277
205 HG21 ILE 25 HG21 ILE 25 -8.038 -1.041 -5.066
206 HG22 ILE 25 HG22 ILE 25 -7.244 -2.380 -4.236
207 HG23 ILE 25 HG23 ILE 25 -6.348 -1.397 -5.395
208 HD11 ILE 25 HD11 ILE 25 -5.213 2.016 -5.454
209 HD12 ILE 25 HD12 ILE 25 -5.568 0.360 -5.938
210 HD13 ILE 25 HD13 ILE 25 -4.409 0.672 -4.646
211 H HIS 26 HN HIS 26 -6.471 -2.079 -1.007
212 HA HIS 26 HA HIS 26 -7.924 -4.447 -1.636
213 HB2 HIS 26 HB2 HIS 26 -5.986 -3.821 0.594
214 HB3 HIS 26 HB1 HIS 26 -6.733 -5.397 0.399
215 HD1 HIS 26 HD1 HIS 26 -6.312 -5.804 -2.689
216 HD2 HIS 26 HD2 HIS 26 -3.469 -4.331 -0.021
217 HE1 HIS 26 HE1 HIS 26 -4.016 -6.370 -3.673
218 H THR 27 HN THR 27 -7.822 -2.389 1.262
219 HA THR 27 HA THR 27 -10.209 -3.775 2.266
220 HB THR 27 HB THR 27 -8.387 -1.966 3.864
221 HG1 THR 27 HG1 THR 27 -8.246 -4.814 3.772
222 HG21 THR 27 HG21 THR 27 -10.287 -4.182 4.661
223 HG22 THR 27 HG22 THR 27 -10.567 -2.453 4.873
224 HG23 THR 27 HG23 THR 27 -9.273 -3.253 5.765
225 H GLY 28 HN GLY 28 -10.335 -1.781 0.203
226 HA2 GLY 28 HA2 GLY 28 -11.438 0.594 1.462
227 HA3 GLY 28 HA1 GLY 28 -11.347 0.273 -0.264
228 H GLU 29 HN GLU 29 -12.530 -2.347 1.398
229 HA GLU 29 HA GLU 29 -15.071 -2.303 0.254
230 HB2 GLU 29 HB2 GLU 29 -14.154 -3.803 2.702
231 HB3 GLU 29 HB1 GLU 29 -15.496 -4.220 1.650
232 HG2 GLU 29 HG2 GLU 29 -12.574 -4.262 0.964
233 HG3 GLU 29 HG1 GLU 29 -13.660 -5.637 1.135
234 H LYS 30 HN LYS 30 -13.866 -1.313 3.394
235 HA LYS 30 HA LYS 30 -16.513 -0.212 4.035
236 HB2 LYS 30 HB2 LYS 30 -15.875 -2.170 5.444
237 HB3 LYS 30 HB1 LYS 30 -14.472 -1.271 6.000
238 HG2 LYS 30 HG2 LYS 30 -15.857 0.347 7.089
239 HG3 LYS 30 HG1 LYS 30 -17.313 -0.354 6.378
240 HD2 LYS 30 HD2 LYS 30 -15.459 -1.714 8.335
241 HD3 LYS 30 HD1 LYS 30 -17.053 -1.056 8.702
242 HE2 LYS 30 HE2 LYS 30 -18.065 -2.634 7.125
243 HE3 LYS 30 HE1 LYS 30 -16.471 -3.296 6.767
244 HZ1 LYS 30 HZ1 LYS 30 -16.279 -4.096 8.989
245 HZ2 LYS 30 HZ2 LYS 30 -17.785 -4.604 8.389
246 HZ3 LYS 30 HZ3 LYS 30 -17.701 -3.300 9.467
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 17.888 2.480 0.846
2 H2 MET 1 HT2 MET 1 18.894 2.475 -0.520
3 H3 MET 1 HT3 MET 1 18.694 1.057 0.394
4 HA MET 1 HA MET 1 16.595 2.431 -1.172
5 HB2 MET 1 HB2 MET 1 18.141 -0.116 -1.633
6 HB3 MET 1 HB1 MET 1 16.634 0.246 -2.461
7 HG2 MET 1 HG2 MET 1 17.692 2.295 -3.369
8 HG3 MET 1 HG1 MET 1 19.211 1.785 -2.631
9 HE1 MET 1 HE1 MET 1 18.911 2.469 -5.704
10 HE2 MET 1 HE2 MET 1 19.794 1.144 -6.460
11 HE3 MET 1 HE3 MET 1 20.433 1.913 -5.006
12 H LYS 2 HN LYS 2 14.958 2.401 0.280
13 HA LYS 2 HA LYS 2 13.829 -0.251 0.710
14 HB2 LYS 2 HB2 LYS 2 14.632 1.575 2.884
15 HB3 LYS 2 HB1 LYS 2 13.008 0.917 3.019
16 HG2 LYS 2 HG2 LYS 2 14.158 -1.361 2.596
17 HG3 LYS 2 HG1 LYS 2 15.633 -0.506 3.054
18 HD2 LYS 2 HD2 LYS 2 14.694 0.081 5.189
19 HD3 LYS 2 HD1 LYS 2 13.127 -0.586 4.728
20 HE2 LYS 2 HE2 LYS 2 14.152 -2.202 6.115
21 HE3 LYS 2 HE1 LYS 2 14.279 -2.809 4.466
22 HZ1 LYS 2 HZ1 LYS 2 16.345 -3.123 5.612
23 HZ2 LYS 2 HZ2 LYS 2 16.426 -1.487 6.030
24 HZ3 LYS 2 HZ3 LYS 2 16.571 -1.955 4.406
25 HA PRO 3 HA PRO 3 10.611 2.474 -0.925
26 HB2 PRO 3 HB2 PRO 3 9.348 0.549 -2.322
27 HB3 PRO 3 HB1 PRO 3 10.800 1.351 -2.938
28 HG2 PRO 3 HG2 PRO 3 10.532 -1.313 -1.598
29 HG3 PRO 3 HG1 PRO 3 11.482 -0.865 -3.025
30 HD2 PRO 3 HD2 PRO 3 12.562 -1.108 -0.535
31 HD3 PRO 3 HD1 PRO 3 13.198 0.001 -1.768
32 H TYR 4 HN TYR 4 8.169 2.015 -0.909
33 HA TYR 4 HA TYR 4 7.562 0.814 1.687
34 HB2 TYR 4 HB2 TYR 4 5.913 2.792 0.072
35 HB3 TYR 4 HB1 TYR 4 5.616 2.262 1.731
36 HD1 TYR 4 HD2 TYR 4 7.019 3.033 3.563
37 HD2 TYR 4 HD1 TYR 4 7.706 4.367 -0.413
38 HE1 TYR 4 HE2 TYR 4 8.388 4.881 4.429
39 HE2 TYR 4 HE1 TYR 4 9.074 6.225 0.439
40 HH TYR 4 HH TYR 4 10.103 6.416 3.727
41 H VAL 5 HN VAL 5 6.582 -1.089 1.694
42 HA VAL 5 HA VAL 5 5.663 -2.054 -0.911
43 HB VAL 5 HB VAL 5 6.260 -4.261 -0.217
44 HG11 VAL 5 HG11 VAL 5 8.474 -2.343 0.472
45 HG12 VAL 5 HG12 VAL 5 8.009 -2.836 -1.153
46 HG13 VAL 5 HG13 VAL 5 8.667 -4.024 -0.028
47 HG21 VAL 5 HG21 VAL 5 7.005 -3.055 2.443
48 HG22 VAL 5 HG22 VAL 5 7.337 -4.717 1.952
49 HG23 VAL 5 HG23 VAL 5 5.672 -4.166 2.133
50 H CYS 6 HN CYS 6 3.850 -3.304 -1.106
51 HA CYS 6 HA CYS 6 1.737 -2.830 0.768
52 HB2 CYS 6 HB2 CYS 6 1.648 -3.187 -1.829
53 HB3 CYS 6 HB1 CYS 6 1.580 -4.887 -1.399
54 H ILE 7 HN ILE 7 1.220 -4.046 2.451
55 HA ILE 7 HA ILE 7 2.849 -6.272 3.149
56 HB ILE 7 HB ILE 7 0.421 -5.064 4.491
57 HG12 ILE 7 HG12 ILE 7 2.252 -4.312 6.157
58 HG13 ILE 7 HG11 ILE 7 3.377 -4.642 4.845
59 HG21 ILE 7 HG21 ILE 7 1.117 -6.280 6.492
60 HG22 ILE 7 HG22 ILE 7 2.362 -7.091 5.544
61 HG23 ILE 7 HG23 ILE 7 0.660 -7.352 5.168
62 HD11 ILE 7 HD11 ILE 7 2.307 -2.997 3.459
63 HD12 ILE 7 HD12 ILE 7 2.728 -2.274 5.011
64 HD13 ILE 7 HD13 ILE 7 1.060 -2.734 4.672
65 H HIS 8 HN HIS 8 -0.068 -5.869 1.418
66 HA HIS 8 HA HIS 8 -1.051 -8.503 2.242
67 HB2 HIS 8 HB2 HIS 8 -2.509 -6.362 2.180
68 HB3 HIS 8 HB1 HIS 8 -2.581 -6.662 0.438
69 HD1 HIS 8 HD1 HIS 8 -4.427 -8.195 -0.299
70 HD2 HIS 8 HD2 HIS 8 -3.443 -8.718 3.715
71 HE1 HIS 8 HE1 HIS 8 -6.089 -9.851 0.605
72 HE2 HIS 8 HE2 HIS 8 -5.399 -10.249 2.993
73 H CYS 9 HN CYS 9 0.077 -6.817 -0.674
74 HA CYS 9 HA CYS 9 -0.333 -9.355 -2.088
75 HB2 CYS 9 HB2 CYS 9 -0.808 -8.164 -4.078
76 HB3 CYS 9 HB1 CYS 9 -1.768 -7.424 -2.813
77 H GLN 10 HN GLN 10 1.986 -7.428 -0.809
78 HA GLN 10 HA GLN 10 4.247 -7.493 -0.833
79 HB2 GLN 10 HB2 GLN 10 3.690 -9.948 -2.478
80 HB3 GLN 10 HB1 GLN 10 5.337 -9.410 -2.150
81 HG2 GLN 10 HG2 GLN 10 4.903 -11.045 -0.547
82 HG3 GLN 10 HG1 GLN 10 4.712 -9.519 0.310
83 HE21 GLN 10 HE21 GLN 10 2.750 -8.978 1.149
84 HE22 GLN 10 HE22 GLN 10 1.380 -10.053 1.148
85 H ARG 11 HN ARG 11 3.371 -5.543 -2.407
86 HA ARG 11 HA ARG 11 5.146 -5.691 -4.737
87 HB2 ARG 11 HB2 ARG 11 2.576 -4.124 -4.501
88 HB3 ARG 11 HB1 ARG 11 3.643 -4.155 -5.891
89 HG2 ARG 11 HG2 ARG 11 2.096 -6.496 -4.810
90 HG3 ARG 11 HG1 ARG 11 1.693 -5.561 -6.249
91 HD2 ARG 11 HD2 ARG 11 3.744 -6.279 -7.320
92 HD3 ARG 11 HD1 ARG 11 4.230 -7.145 -5.861
93 HE ARG 11 HE ARG 11 1.854 -8.278 -6.426
94 HH11 ARG 11 HH11 ARG 11 4.658 -7.617 -8.425
95 HH12 ARG 11 HH12 ARG 11 4.400 -8.995 -9.450
96 HH21 ARG 11 HH21 ARG 11 1.508 -10.071 -7.791
97 HH22 ARG 11 HH22 ARG 11 2.619 -10.383 -9.103
98 H GLN 12 HN GLN 12 6.281 -3.768 -5.248
99 HA GLN 12 HA GLN 12 6.827 -2.177 -2.866
100 HB2 GLN 12 HB2 GLN 12 8.325 -2.590 -5.447
101 HB3 GLN 12 HB1 GLN 12 8.793 -1.383 -4.269
102 HG2 GLN 12 HG2 GLN 12 10.169 -3.168 -3.789
103 HG3 GLN 12 HG1 GLN 12 8.883 -3.317 -2.605
104 HE21 GLN 12 HE21 GLN 12 7.497 -5.053 -2.679
105 HE22 GLN 12 HE22 GLN 12 7.775 -6.432 -3.708
106 H PHE 13 HN PHE 13 6.439 -0.043 -2.702
107 HA PHE 13 HA PHE 13 5.706 1.422 -5.154
108 HB2 PHE 13 HB2 PHE 13 4.270 1.642 -2.488
109 HB3 PHE 13 HB1 PHE 13 3.960 2.643 -3.912
110 HD1 PHE 13 HD1 PHE 13 2.932 1.671 -5.915
111 HD2 PHE 13 HD2 PHE 13 3.440 -0.592 -2.343
112 HE1 PHE 13 HE1 PHE 13 1.344 -0.008 -6.755
113 HE2 PHE 13 HE2 PHE 13 1.847 -2.273 -3.177
114 HZ PHE 13 HZ PHE 13 0.802 -1.980 -5.385
115 H ALA 14 HN ALA 14 5.873 3.772 -4.915
116 HA ALA 14 HA ALA 14 8.514 4.300 -3.895
117 HB1 ALA 14 HB1 ALA 14 8.470 6.242 -5.230
118 HB2 ALA 14 HB2 ALA 14 6.707 6.229 -5.314
119 HB3 ALA 14 HB3 ALA 14 7.643 4.990 -6.162
120 H ASP 15 HN ASP 15 5.238 5.291 -3.109
121 HA ASP 15 HA ASP 15 6.349 7.244 -1.201
122 HB2 ASP 15 HB2 ASP 15 3.841 7.545 -2.880
123 HB3 ASP 15 HB1 ASP 15 4.433 8.696 -1.701
124 HA PRO 16 HA PRO 16 3.909 5.148 1.897
125 HB2 PRO 16 HB2 PRO 16 3.887 7.784 3.236
126 HB3 PRO 16 HB1 PRO 16 4.502 6.236 3.820
127 HG2 PRO 16 HG2 PRO 16 6.158 8.213 3.095
128 HG3 PRO 16 HG1 PRO 16 6.554 6.511 2.794
129 HD2 PRO 16 HD2 PRO 16 5.538 8.589 0.898
130 HD3 PRO 16 HD1 PRO 16 6.747 7.315 0.634
131 H GLY 17 HN GLY 17 3.079 8.307 0.589
132 HA2 GLY 17 HA2 GLY 17 0.390 8.427 1.408
133 HA3 GLY 17 HA1 GLY 17 1.069 9.219 -0.009
134 H ALA 18 HN ALA 18 1.952 6.865 -1.312
135 HA ALA 18 HA ALA 18 -0.475 6.101 -2.595
136 HB1 ALA 18 HB1 ALA 18 1.554 6.264 -3.900
137 HB2 ALA 18 HB2 ALA 18 0.922 4.613 -3.944
138 HB3 ALA 18 HB3 ALA 18 2.307 5.001 -2.925
139 H LEU 19 HN LEU 19 1.572 4.657 -0.126
140 HA LEU 19 HA LEU 19 0.520 2.049 -0.354
141 HB2 LEU 19 HB2 LEU 19 2.224 3.508 1.551
142 HB3 LEU 19 HB1 LEU 19 1.229 2.251 2.279
143 HG LEU 19 HG LEU 19 3.463 1.424 1.685
144 HD11 LEU 19 HD11 LEU 19 2.743 -0.567 0.469
145 HD12 LEU 19 HD12 LEU 19 1.255 0.250 -0.006
146 HD13 LEU 19 HD13 LEU 19 1.555 -0.113 1.694
147 HD21 LEU 19 HD21 LEU 19 4.130 1.199 -0.623
148 HD22 LEU 19 HD22 LEU 19 3.836 2.899 -0.245
149 HD23 LEU 19 HD23 LEU 19 2.638 1.981 -1.157
150 H GLN 20 HN GLN 20 -0.417 4.956 1.332
151 HA GLN 20 HA GLN 20 -2.345 3.585 2.826
152 HB2 GLN 20 HB2 GLN 20 -2.099 6.536 2.325
153 HB3 GLN 20 HB1 GLN 20 -3.224 5.819 3.470
154 HG2 GLN 20 HG2 GLN 20 -1.240 4.821 4.637
155 HG3 GLN 20 HG1 GLN 20 -0.224 5.813 3.592
156 HE21 GLN 20 HE21 GLN 20 -0.239 8.051 3.845
157 HE22 GLN 20 HE22 GLN 20 -0.845 8.803 5.280
158 H ARG 21 HN ARG 21 -2.351 5.353 -0.092
159 HA ARG 21 HA ARG 21 -5.138 5.259 -0.633
160 HB2 ARG 21 HB2 ARG 21 -3.224 6.576 -1.817
161 HB3 ARG 21 HB1 ARG 21 -3.010 5.111 -2.751
162 HG2 ARG 21 HG2 ARG 21 -4.400 6.627 -3.984
163 HG3 ARG 21 HG1 ARG 21 -5.373 5.249 -3.457
164 HD2 ARG 21 HD2 ARG 21 -6.250 6.557 -1.599
165 HD3 ARG 21 HD1 ARG 21 -5.256 7.932 -2.083
166 HE ARG 21 HE ARG 21 -7.547 6.851 -3.603
167 HH11 ARG 21 HH11 ARG 21 -5.256 9.431 -2.940
168 HH12 ARG 21 HH12 ARG 21 -6.154 10.618 -3.849
169 HH21 ARG 21 HH21 ARG 21 -8.709 8.411 -4.794
170 HH22 ARG 21 HH22 ARG 21 -8.109 10.039 -4.890
171 H HIS 22 HN HIS 22 -2.426 3.157 -1.084
172 HA HIS 22 HA HIS 22 -3.714 1.347 -2.892
173 HB2 HIS 22 HB2 HIS 22 -1.226 1.696 -2.630
174 HB3 HIS 22 HB1 HIS 22 -1.323 0.740 -1.165
175 HD1 HIS 22 HD1 HIS 22 -2.119 0.363 -4.880
176 HD2 HIS 22 HD2 HIS 22 -1.096 -1.865 -1.527
177 HE1 HIS 22 HE1 HIS 22 -1.841 -2.023 -5.669
178 H VAL 23 HN VAL 23 -2.921 1.224 0.556
179 HA VAL 23 HA VAL 23 -3.734 -1.424 0.827
180 HB VAL 23 HB VAL 23 -3.428 0.717 2.938
181 HG11 VAL 23 HG11 VAL 23 -3.887 -2.248 3.277
182 HG12 VAL 23 HG12 VAL 23 -4.962 -0.946 3.792
183 HG13 VAL 23 HG13 VAL 23 -3.392 -1.151 4.569
184 HG21 VAL 23 HG21 VAL 23 -1.383 0.065 1.735
185 HG22 VAL 23 HG22 VAL 23 -1.668 -1.618 2.183
186 HG23 VAL 23 HG23 VAL 23 -1.333 -0.418 3.430
187 H ARG 24 HN ARG 24 -5.481 1.606 1.014
188 HA ARG 24 HA ARG 24 -7.862 0.393 2.066
189 HB2 ARG 24 HB2 ARG 24 -8.949 2.499 1.726
190 HB3 ARG 24 HB1 ARG 24 -7.347 2.813 2.371
191 HG2 ARG 24 HG2 ARG 24 -6.558 3.599 0.306
192 HG3 ARG 24 HG1 ARG 24 -7.938 2.929 -0.567
193 HD2 ARG 24 HD2 ARG 24 -8.032 5.180 1.437
194 HD3 ARG 24 HD1 ARG 24 -8.146 5.351 -0.316
195 HE ARG 24 HE ARG 24 -10.127 3.561 0.663
196 HH11 ARG 24 HH11 ARG 24 -9.362 6.976 0.462
197 HH12 ARG 24 HH12 ARG 24 -11.031 7.474 0.483
198 HH21 ARG 24 HH21 ARG 24 -12.301 4.207 0.689
199 HH22 ARG 24 HH22 ARG 24 -12.707 5.899 0.626
200 H ILE 25 HN ILE 25 -6.407 0.541 -1.022
201 HA ILE 25 HA ILE 25 -8.731 0.177 -2.612
202 HB ILE 25 HB ILE 25 -5.833 -0.529 -3.066
203 HG12 ILE 25 HG12 ILE 25 -6.277 1.820 -3.147
204 HG13 ILE 25 HG11 ILE 25 -6.007 1.259 -4.785
205 HG21 ILE 25 HG21 ILE 25 -8.125 -0.891 -4.964
206 HG22 ILE 25 HG22 ILE 25 -7.099 -2.153 -4.285
207 HG23 ILE 25 HG23 ILE 25 -6.421 -0.973 -5.405
208 HD11 ILE 25 HD11 ILE 25 -8.664 1.881 -3.520
209 HD12 ILE 25 HD12 ILE 25 -8.437 1.238 -5.146
210 HD13 ILE 25 HD13 ILE 25 -7.821 2.839 -4.737
211 H HIS 26 HN HIS 26 -6.395 -2.077 -1.144
212 HA HIS 26 HA HIS 26 -7.814 -4.450 -1.782
213 HB2 HIS 26 HB2 HIS 26 -5.904 -3.831 0.476
214 HB3 HIS 26 HB1 HIS 26 -6.600 -5.419 0.215
215 HD1 HIS 26 HD1 HIS 26 -6.167 -5.727 -2.846
216 HD2 HIS 26 HD2 HIS 26 -3.356 -4.242 -0.153
217 HE1 HIS 26 HE1 HIS 26 -3.870 -6.124 -3.892
218 H THR 27 HN THR 27 -7.755 -2.366 1.064
219 HA THR 27 HA THR 27 -9.840 -3.875 2.376
220 HB THR 27 HB THR 27 -8.782 -1.226 3.337
221 HG1 THR 27 HG1 THR 27 -6.924 -2.420 2.873
222 HG21 THR 27 HG21 THR 27 -10.619 -2.251 4.587
223 HG22 THR 27 HG22 THR 27 -9.134 -2.260 5.542
224 HG23 THR 27 HG23 THR 27 -9.687 -3.740 4.756
225 H GLY 28 HN GLY 28 -10.839 -3.034 0.028
226 HA2 GLY 28 HA2 GLY 28 -12.250 -0.537 0.278
227 HA3 GLY 28 HA1 GLY 28 -12.490 -1.756 -0.967
228 H GLU 29 HN GLU 29 -13.055 -1.158 2.466
229 HA GLU 29 HA GLU 29 -15.145 -3.143 2.570
230 HB2 GLU 29 HB2 GLU 29 -14.196 -1.174 4.642
231 HB3 GLU 29 HB1 GLU 29 -15.302 -2.515 4.929
232 HG2 GLU 29 HG2 GLU 29 -12.451 -2.760 3.995
233 HG3 GLU 29 HG1 GLU 29 -13.026 -3.012 5.638
234 H LYS 30 HN LYS 30 -14.844 0.343 2.579
235 HA LYS 30 HA LYS 30 -17.756 0.566 2.280
236 HB2 LYS 30 HB2 LYS 30 -15.937 2.424 3.828
237 HB3 LYS 30 HB1 LYS 30 -17.651 2.690 3.547
238 HG2 LYS 30 HG2 LYS 30 -18.213 0.753 4.864
239 HG3 LYS 30 HG1 LYS 30 -16.506 0.346 5.051
240 HD2 LYS 30 HD2 LYS 30 -16.129 2.393 6.302
241 HD3 LYS 30 HD1 LYS 30 -17.807 2.880 6.056
242 HE2 LYS 30 HE2 LYS 30 -17.463 1.951 8.285
243 HE3 LYS 30 HE1 LYS 30 -18.563 0.950 7.337
244 HZ1 LYS 30 HZ1 LYS 30 -16.909 -0.332 8.608
245 HZ2 LYS 30 HZ2 LYS 30 -15.669 0.381 7.695
246 HZ3 LYS 30 HZ3 LYS 30 -16.813 -0.615 6.943
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 14.587 -3.637 2.769
2 H2 MET 1 HT2 MET 1 14.487 -3.349 1.100
3 H3 MET 1 HT3 MET 1 13.709 -4.696 1.771
4 HA MET 1 HA MET 1 12.092 -3.025 1.295
5 HB2 MET 1 HB2 MET 1 12.689 -3.250 4.253
6 HB3 MET 1 HB1 MET 1 11.173 -2.669 3.583
7 HG2 MET 1 HG2 MET 1 10.828 -4.854 2.517
8 HG3 MET 1 HG1 MET 1 12.325 -5.428 3.251
9 HE1 MET 1 HE1 MET 1 10.962 -7.480 4.253
10 HE2 MET 1 HE2 MET 1 9.454 -6.867 3.572
11 HE3 MET 1 HE3 MET 1 9.535 -7.307 5.277
12 H LYS 2 HN LYS 2 13.953 -1.419 0.450
13 HA LYS 2 HA LYS 2 14.273 0.871 2.168
14 HB2 LYS 2 HB2 LYS 2 15.973 0.258 0.452
15 HB3 LYS 2 HB1 LYS 2 14.809 0.664 -0.802
16 HG2 LYS 2 HG2 LYS 2 16.376 2.481 -0.474
17 HG3 LYS 2 HG1 LYS 2 14.751 2.976 0.007
18 HD2 LYS 2 HD2 LYS 2 15.331 2.534 2.357
19 HD3 LYS 2 HD1 LYS 2 16.966 2.094 1.859
20 HE2 LYS 2 HE2 LYS 2 17.271 4.362 0.949
21 HE3 LYS 2 HE1 LYS 2 15.653 4.789 1.505
22 HZ1 LYS 2 HZ1 LYS 2 17.314 5.543 3.071
23 HZ2 LYS 2 HZ2 LYS 2 17.934 3.973 3.227
24 HZ3 LYS 2 HZ3 LYS 2 16.369 4.328 3.783
25 HA PRO 3 HA PRO 3 10.745 2.672 -0.534
26 HB2 PRO 3 HB2 PRO 3 9.497 1.149 -2.348
27 HB3 PRO 3 HB1 PRO 3 11.007 1.992 -2.743
28 HG2 PRO 3 HG2 PRO 3 10.587 -0.874 -1.963
29 HG3 PRO 3 HG1 PRO 3 11.576 -0.205 -3.272
30 HD2 PRO 3 HD2 PRO 3 12.610 -0.965 -0.869
31 HD3 PRO 3 HD1 PRO 3 13.309 0.330 -1.861
32 H TYR 4 HN TYR 4 8.276 2.228 -0.654
33 HA TYR 4 HA TYR 4 7.652 0.600 1.687
34 HB2 TYR 4 HB2 TYR 4 6.048 2.772 0.290
35 HB3 TYR 4 HB1 TYR 4 5.480 1.828 1.672
36 HD1 TYR 4 HD2 TYR 4 6.555 2.082 3.890
37 HD2 TYR 4 HD1 TYR 4 7.634 4.534 0.584
38 HE1 TYR 4 HE2 TYR 4 7.622 3.681 5.428
39 HE2 TYR 4 HE1 TYR 4 8.697 6.140 2.110
40 HH TYR 4 HH TYR 4 9.492 5.458 5.246
41 H VAL 5 HN VAL 5 6.966 -1.367 1.354
42 HA VAL 5 HA VAL 5 5.712 -2.026 -1.197
43 HB VAL 5 HB VAL 5 6.256 -4.350 -0.690
44 HG11 VAL 5 HG11 VAL 5 8.612 -2.501 -0.366
45 HG12 VAL 5 HG12 VAL 5 7.890 -3.015 -1.892
46 HG13 VAL 5 HG13 VAL 5 8.693 -4.194 -0.855
47 HG21 VAL 5 HG21 VAL 5 6.091 -4.323 1.727
48 HG22 VAL 5 HG22 VAL 5 7.492 -3.257 1.834
49 HG23 VAL 5 HG23 VAL 5 7.684 -4.908 1.244
50 H CYS 6 HN CYS 6 3.789 -3.140 -1.307
51 HA CYS 6 HA CYS 6 1.868 -2.602 0.682
52 HB2 CYS 6 HB2 CYS 6 1.295 -2.945 -1.695
53 HB3 CYS 6 HB1 CYS 6 1.714 -4.645 -1.543
54 H ILE 7 HN ILE 7 1.296 -3.643 2.415
55 HA ILE 7 HA ILE 7 2.920 -5.683 3.460
56 HB ILE 7 HB ILE 7 0.305 -4.501 4.419
57 HG12 ILE 7 HG12 ILE 7 1.865 -3.473 6.160
58 HG13 ILE 7 HG11 ILE 7 3.193 -3.967 5.117
59 HG21 ILE 7 HG21 ILE 7 0.783 -5.500 6.587
60 HG22 ILE 7 HG22 ILE 7 2.178 -6.327 5.896
61 HG23 ILE 7 HG23 ILE 7 0.555 -6.722 5.333
62 HD11 ILE 7 HD11 ILE 7 2.522 -1.603 4.848
63 HD12 ILE 7 HD12 ILE 7 0.949 -2.153 4.264
64 HD13 ILE 7 HD13 ILE 7 2.412 -2.542 3.360
65 H HIS 8 HN HIS 8 -0.030 -5.691 1.627
66 HA HIS 8 HA HIS 8 -0.696 -8.364 2.616
67 HB2 HIS 8 HB2 HIS 8 -2.407 -6.409 2.408
68 HB3 HIS 8 HB1 HIS 8 -2.441 -6.858 0.698
69 HD1 HIS 8 HD1 HIS 8 -3.732 -8.959 0.060
70 HD2 HIS 8 HD2 HIS 8 -3.369 -8.437 4.175
71 HE1 HIS 8 HE1 HIS 8 -5.247 -10.673 1.104
72 HE2 HIS 8 HE2 HIS 8 -4.845 -10.478 3.586
73 H CYS 9 HN CYS 9 -0.039 -6.714 -0.506
74 HA CYS 9 HA CYS 9 -0.106 -9.400 -1.693
75 HB2 CYS 9 HB2 CYS 9 -0.844 -8.460 -3.730
76 HB3 CYS 9 HB1 CYS 9 -1.815 -7.721 -2.472
77 H GLN 10 HN GLN 10 1.973 -7.088 -0.708
78 HA GLN 10 HA GLN 10 4.196 -6.807 -0.856
79 HB2 GLN 10 HB2 GLN 10 3.992 -9.514 -2.155
80 HB3 GLN 10 HB1 GLN 10 5.534 -8.724 -1.813
81 HG2 GLN 10 HG2 GLN 10 4.983 -8.654 0.555
82 HG3 GLN 10 HG1 GLN 10 3.430 -9.421 0.226
83 HE21 GLN 10 HE21 GLN 10 3.339 -11.591 -0.217
84 HE22 GLN 10 HE22 GLN 10 4.702 -12.653 0.017
85 H ARG 11 HN ARG 11 3.045 -5.226 -2.589
86 HA ARG 11 HA ARG 11 4.697 -5.384 -5.006
87 HB2 ARG 11 HB2 ARG 11 2.129 -3.942 -4.383
88 HB3 ARG 11 HB1 ARG 11 3.159 -3.431 -5.715
89 HG2 ARG 11 HG2 ARG 11 2.964 -5.742 -6.645
90 HG3 ARG 11 HG1 ARG 11 1.764 -6.073 -5.390
91 HD2 ARG 11 HD2 ARG 11 0.390 -4.226 -6.218
92 HD3 ARG 11 HD1 ARG 11 1.589 -3.887 -7.463
93 HE ARG 11 HE ARG 11 0.610 -6.581 -7.569
94 HH11 ARG 11 HH11 ARG 11 -0.069 -3.267 -8.506
95 HH12 ARG 11 HH12 ARG 11 -1.094 -3.714 -9.835
96 HH21 ARG 11 HH21 ARG 11 -0.709 -7.174 -9.322
97 HH22 ARG 11 HH22 ARG 11 -1.458 -5.945 -10.302
98 H GLN 12 HN GLN 12 6.123 -3.717 -5.457
99 HA GLN 12 HA GLN 12 6.923 -2.140 -3.163
100 HB2 GLN 12 HB2 GLN 12 8.132 -2.464 -5.913
101 HB3 GLN 12 HB1 GLN 12 8.865 -1.572 -4.591
102 HG2 GLN 12 HG2 GLN 12 9.134 -3.534 -3.293
103 HG3 GLN 12 HG1 GLN 12 8.140 -4.471 -4.402
104 HE21 GLN 12 HE21 GLN 12 10.529 -2.161 -5.478
105 HE22 GLN 12 HE22 GLN 12 11.652 -3.336 -6.119
106 H PHE 13 HN PHE 13 6.537 -0.035 -2.862
107 HA PHE 13 HA PHE 13 5.697 1.580 -5.180
108 HB2 PHE 13 HB2 PHE 13 4.481 1.693 -2.402
109 HB3 PHE 13 HB1 PHE 13 4.098 2.779 -3.742
110 HD1 PHE 13 HD1 PHE 13 3.025 1.863 -5.788
111 HD2 PHE 13 HD2 PHE 13 3.460 -0.420 -2.226
112 HE1 PHE 13 HE1 PHE 13 1.302 0.299 -6.586
113 HE2 PHE 13 HE2 PHE 13 1.742 -1.987 -3.018
114 HZ PHE 13 HZ PHE 13 0.665 -1.629 -5.200
115 H ALA 14 HN ALA 14 6.038 3.841 -4.959
116 HA ALA 14 HA ALA 14 8.656 4.358 -3.846
117 HB1 ALA 14 HB1 ALA 14 6.849 6.274 -5.300
118 HB2 ALA 14 HB2 ALA 14 7.882 5.099 -6.133
119 HB3 ALA 14 HB3 ALA 14 8.607 6.358 -5.128
120 H ASP 15 HN ASP 15 5.371 5.020 -3.084
121 HA ASP 15 HA ASP 15 6.165 7.232 -1.306
122 HB2 ASP 15 HB2 ASP 15 3.587 6.934 -2.861
123 HB3 ASP 15 HB1 ASP 15 4.019 8.275 -1.818
124 HA PRO 16 HA PRO 16 4.059 4.855 1.868
125 HB2 PRO 16 HB2 PRO 16 3.943 6.877 3.708
126 HB3 PRO 16 HB1 PRO 16 5.378 5.880 3.447
127 HG2 PRO 16 HG2 PRO 16 4.768 8.629 2.465
128 HG3 PRO 16 HG1 PRO 16 6.305 7.957 3.035
129 HD2 PRO 16 HD2 PRO 16 5.707 8.307 0.400
130 HD3 PRO 16 HD1 PRO 16 6.796 7.032 0.987
131 H GLY 17 HN GLY 17 3.182 7.981 0.613
132 HA2 GLY 17 HA2 GLY 17 0.500 8.064 1.509
133 HA3 GLY 17 HA1 GLY 17 1.162 8.936 0.130
134 H ALA 18 HN ALA 18 2.102 6.434 -1.122
135 HA ALA 18 HA ALA 18 -0.343 5.788 -2.487
136 HB1 ALA 18 HB1 ALA 18 1.024 4.296 -3.849
137 HB2 ALA 18 HB2 ALA 18 2.414 4.624 -2.810
138 HB3 ALA 18 HB3 ALA 18 1.702 5.924 -3.771
139 H LEU 19 HN LEU 19 1.556 4.384 0.078
140 HA LEU 19 HA LEU 19 0.477 1.786 -0.145
141 HB2 LEU 19 HB2 LEU 19 2.160 3.248 1.767
142 HB3 LEU 19 HB1 LEU 19 1.115 2.036 2.505
143 HG LEU 19 HG LEU 19 3.362 1.167 1.977
144 HD11 LEU 19 HD11 LEU 19 1.495 -0.372 2.066
145 HD12 LEU 19 HD12 LEU 19 2.608 -0.854 0.786
146 HD13 LEU 19 HD13 LEU 19 1.100 -0.031 0.382
147 HD21 LEU 19 HD21 LEU 19 4.028 0.816 -0.325
148 HD22 LEU 19 HD22 LEU 19 3.780 2.537 -0.016
149 HD23 LEU 19 HD23 LEU 19 2.559 1.613 -0.893
150 H GLN 20 HN GLN 20 -0.474 4.745 1.474
151 HA GLN 20 HA GLN 20 -2.513 3.412 2.874
152 HB2 GLN 20 HB2 GLN 20 -3.214 5.535 3.737
153 HB3 GLN 20 HB1 GLN 20 -1.460 5.519 3.688
154 HG2 GLN 20 HG2 GLN 20 -1.487 6.808 1.637
155 HG3 GLN 20 HG1 GLN 20 -3.248 6.827 1.668
156 HE21 GLN 20 HE21 GLN 20 -3.344 9.058 1.769
157 HE22 GLN 20 HE22 GLN 20 -2.927 9.942 3.197
158 H ARG 21 HN ARG 21 -2.262 5.215 0.016
159 HA ARG 21 HA ARG 21 -4.944 5.277 -0.842
160 HB2 ARG 21 HB2 ARG 21 -2.838 6.369 -1.861
161 HB3 ARG 21 HB1 ARG 21 -2.561 4.826 -2.635
162 HG2 ARG 21 HG2 ARG 21 -3.624 6.184 -4.233
163 HG3 ARG 21 HG1 ARG 21 -4.844 5.044 -3.664
164 HD2 ARG 21 HD2 ARG 21 -4.581 7.731 -2.385
165 HD3 ARG 21 HD1 ARG 21 -5.437 7.564 -3.912
166 HE ARG 21 HE ARG 21 -6.581 5.663 -2.355
167 HH11 ARG 21 HH11 ARG 21 -5.983 9.090 -1.880
168 HH12 ARG 21 HH12 ARG 21 -7.419 9.333 -0.923
169 HH21 ARG 21 HH21 ARG 21 -8.449 5.982 -1.111
170 HH22 ARG 21 HH22 ARG 21 -8.816 7.558 -0.479
171 H HIS 22 HN HIS 22 -2.376 2.953 -0.985
172 HA HIS 22 HA HIS 22 -3.612 1.120 -2.771
173 HB2 HIS 22 HB2 HIS 22 -1.141 1.359 -2.160
174 HB3 HIS 22 HB1 HIS 22 -1.520 0.380 -0.754
175 HD1 HIS 22 HD1 HIS 22 -1.741 0.138 -4.562
176 HD2 HIS 22 HD2 HIS 22 -1.478 -2.234 -1.158
177 HE1 HIS 22 HE1 HIS 22 -1.522 -2.246 -5.369
178 H VAL 23 HN VAL 23 -3.316 1.212 0.766
179 HA VAL 23 HA VAL 23 -4.326 -1.381 1.059
180 HB VAL 23 HB VAL 23 -4.310 0.829 3.127
181 HG11 VAL 23 HG11 VAL 23 -5.901 -0.906 3.722
182 HG12 VAL 23 HG12 VAL 23 -4.482 -1.003 4.766
183 HG13 VAL 23 HG13 VAL 23 -4.682 -2.148 3.437
184 HG21 VAL 23 HG21 VAL 23 -2.288 -0.262 3.960
185 HG22 VAL 23 HG22 VAL 23 -2.079 0.263 2.289
186 HG23 VAL 23 HG23 VAL 23 -2.376 -1.438 2.648
187 H ARG 24 HN ARG 24 -5.849 1.803 1.029
188 HA ARG 24 HA ARG 24 -8.470 1.015 1.618
189 HB2 ARG 24 HB2 ARG 24 -7.409 3.243 -0.115
190 HB3 ARG 24 HB1 ARG 24 -9.097 3.084 0.364
191 HG2 ARG 24 HG2 ARG 24 -6.911 3.147 2.400
192 HG3 ARG 24 HG1 ARG 24 -7.579 4.628 1.725
193 HD2 ARG 24 HD2 ARG 24 -9.796 4.020 2.480
194 HD3 ARG 24 HD1 ARG 24 -9.204 2.456 3.037
195 HE ARG 24 HE ARG 24 -7.691 4.182 4.447
196 HH11 ARG 24 HH11 ARG 24 -11.140 3.931 3.934
197 HH12 ARG 24 HH12 ARG 24 -11.557 4.619 5.471
198 HH21 ARG 24 HH21 ARG 24 -8.225 5.062 6.477
199 HH22 ARG 24 HH22 ARG 24 -9.886 5.230 6.937
200 H ILE 25 HN ILE 25 -6.550 0.645 -1.243
201 HA ILE 25 HA ILE 25 -8.628 0.109 -3.084
202 HB ILE 25 HB ILE 25 -5.708 -0.656 -3.034
203 HG12 ILE 25 HG12 ILE 25 -7.223 1.331 -4.731
204 HG13 ILE 25 HG11 ILE 25 -6.275 1.727 -3.312
205 HG21 ILE 25 HG21 ILE 25 -6.846 -2.334 -4.322
206 HG22 ILE 25 HG22 ILE 25 -5.955 -1.252 -5.395
207 HG23 ILE 25 HG23 ILE 25 -7.701 -1.089 -5.233
208 HD11 ILE 25 HD11 ILE 25 -4.263 0.912 -4.412
209 HD12 ILE 25 HD12 ILE 25 -5.041 2.197 -5.340
210 HD13 ILE 25 HD13 ILE 25 -5.216 0.515 -5.844
211 H HIS 26 HN HIS 26 -6.653 -1.983 -0.982
212 HA HIS 26 HA HIS 26 -7.796 -4.418 -1.903
213 HB2 HIS 26 HB2 HIS 26 -6.190 -3.694 0.529
214 HB3 HIS 26 HB1 HIS 26 -6.922 -5.286 0.383
215 HD1 HIS 26 HD1 HIS 26 -6.272 -5.941 -2.577
216 HD2 HIS 26 HD2 HIS 26 -3.613 -4.199 0.113
217 HE1 HIS 26 HE1 HIS 26 -3.935 -6.493 -3.412
218 H THR 27 HN THR 27 -8.529 -2.302 0.853
219 HA THR 27 HA THR 27 -10.521 -4.048 1.908
220 HB THR 27 HB THR 27 -9.395 -2.441 3.363
221 HG1 THR 27 HG1 THR 27 -11.447 -1.412 4.207
222 HG21 THR 27 HG21 THR 27 -10.878 -0.307 1.836
223 HG22 THR 27 HG22 THR 27 -9.141 -0.601 1.763
224 HG23 THR 27 HG23 THR 27 -9.880 -0.060 3.269
225 H GLY 28 HN GLY 28 -10.524 -1.482 -0.466
226 HA2 GLY 28 HA2 GLY 28 -12.097 -1.316 -2.191
227 HA3 GLY 28 HA1 GLY 28 -13.178 -2.354 -1.275
228 H GLU 29 HN GLU 29 -12.430 -0.385 1.039
229 HA GLU 29 HA GLU 29 -14.814 0.996 1.168
230 HB2 GLU 29 HB2 GLU 29 -12.154 1.717 2.402
231 HB3 GLU 29 HB1 GLU 29 -13.698 2.413 2.877
232 HG2 GLU 29 HG2 GLU 29 -14.489 0.243 3.591
233 HG3 GLU 29 HG1 GLU 29 -12.989 -0.505 3.045
234 H LYS 30 HN LYS 30 -11.681 2.186 0.041
235 HA LYS 30 HA LYS 30 -13.111 4.299 -1.408
236 HB2 LYS 30 HB2 LYS 30 -10.593 4.537 0.219
237 HB3 LYS 30 HB1 LYS 30 -10.885 5.622 -1.131
238 HG2 LYS 30 HG2 LYS 30 -11.620 6.788 0.756
239 HG3 LYS 30 HG1 LYS 30 -13.092 6.186 -0.003
240 HD2 LYS 30 HD2 LYS 30 -13.217 4.376 1.610
241 HD3 LYS 30 HD1 LYS 30 -11.685 4.878 2.327
242 HE2 LYS 30 HE2 LYS 30 -13.473 5.681 3.712
243 HE3 LYS 30 HE1 LYS 30 -12.731 7.058 2.902
244 HZ1 LYS 30 HZ1 LYS 30 -15.062 7.337 2.790
245 HZ2 LYS 30 HZ2 LYS 30 -15.317 5.754 2.240
246 HZ3 LYS 30 HZ3 LYS 30 -14.568 6.894 1.231
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 11.636 -2.754 2.530
2 H2 MET 1 HT2 MET 1 12.464 -1.755 1.446
3 H3 MET 1 HT3 MET 1 10.969 -1.266 2.075
4 HA MET 1 HA MET 1 11.857 -1.104 4.266
5 HB2 MET 1 HB2 MET 1 14.301 -1.332 4.633
6 HB3 MET 1 HB1 MET 1 13.521 -2.844 4.202
7 HG2 MET 1 HG2 MET 1 14.339 -2.594 1.905
8 HG3 MET 1 HG1 MET 1 15.148 -1.097 2.364
9 HE1 MET 1 HE1 MET 1 15.023 -4.995 2.790
10 HE2 MET 1 HE2 MET 1 14.785 -4.430 4.443
11 HE3 MET 1 HE3 MET 1 16.273 -5.268 4.004
12 H LYS 2 HN LYS 2 13.825 -0.171 1.413
13 HA LYS 2 HA LYS 2 13.955 2.542 2.402
14 HB2 LYS 2 HB2 LYS 2 14.923 1.352 -0.201
15 HB3 LYS 2 HB1 LYS 2 15.194 3.016 0.303
16 HG2 LYS 2 HG2 LYS 2 16.454 2.238 2.238
17 HG3 LYS 2 HG1 LYS 2 16.174 0.564 1.757
18 HD2 LYS 2 HD2 LYS 2 17.417 0.937 -0.305
19 HD3 LYS 2 HD1 LYS 2 17.655 2.632 0.130
20 HE2 LYS 2 HE2 LYS 2 18.917 1.953 2.107
21 HE3 LYS 2 HE1 LYS 2 18.669 0.259 1.694
22 HZ1 LYS 2 HZ1 LYS 2 20.850 1.047 1.011
23 HZ2 LYS 2 HZ2 LYS 2 20.142 2.240 0.038
24 HZ3 LYS 2 HZ3 LYS 2 19.923 0.600 -0.336
25 HA PRO 3 HA PRO 3 10.505 3.140 -0.816
26 HB2 PRO 3 HB2 PRO 3 9.735 1.148 -2.422
27 HB3 PRO 3 HB1 PRO 3 11.100 2.192 -2.863
28 HG2 PRO 3 HG2 PRO 3 11.123 -0.551 -1.654
29 HG3 PRO 3 HG1 PRO 3 12.110 0.100 -2.973
30 HD2 PRO 3 HD2 PRO 3 12.979 -0.095 -0.384
31 HD3 PRO 3 HD1 PRO 3 13.584 1.113 -1.534
32 H TYR 4 HN TYR 4 8.185 2.196 -0.951
33 HA TYR 4 HA TYR 4 7.796 0.642 1.507
34 HB2 TYR 4 HB2 TYR 4 6.074 2.813 0.274
35 HB3 TYR 4 HB1 TYR 4 5.546 1.771 1.600
36 HD1 TYR 4 HD1 TYR 4 7.842 4.465 0.642
37 HD2 TYR 4 HD2 TYR 4 6.457 2.023 3.843
38 HE1 TYR 4 HE1 TYR 4 8.887 5.994 2.256
39 HE2 TYR 4 HE2 TYR 4 7.503 3.550 5.462
40 HH TYR 4 HH TYR 4 8.734 6.641 4.530
41 H VAL 5 HN VAL 5 7.026 -1.314 1.259
42 HA VAL 5 HA VAL 5 5.761 -1.994 -1.290
43 HB VAL 5 HB VAL 5 6.364 -4.300 -0.816
44 HG11 VAL 5 HG11 VAL 5 8.806 -4.094 -0.973
45 HG12 VAL 5 HG12 VAL 5 8.679 -2.403 -0.487
46 HG13 VAL 5 HG13 VAL 5 7.971 -2.939 -2.011
47 HG21 VAL 5 HG21 VAL 5 7.790 -4.869 1.109
48 HG22 VAL 5 HG22 VAL 5 6.195 -4.299 1.601
49 HG23 VAL 5 HG23 VAL 5 7.590 -3.226 1.718
50 H CYS 6 HN CYS 6 3.837 -3.084 -1.370
51 HA CYS 6 HA CYS 6 1.950 -2.624 0.669
52 HB2 CYS 6 HB2 CYS 6 1.362 -2.927 -1.727
53 HB3 CYS 6 HB1 CYS 6 1.774 -4.629 -1.594
54 H ILE 7 HN ILE 7 1.655 -3.666 2.500
55 HA ILE 7 HA ILE 7 3.158 -5.969 3.187
56 HB ILE 7 HB ILE 7 0.915 -4.509 4.607
57 HG12 ILE 7 HG12 ILE 7 2.867 -3.829 6.126
58 HG13 ILE 7 HG11 ILE 7 3.927 -4.403 4.845
59 HG21 ILE 7 HG21 ILE 7 1.629 -5.711 6.630
60 HG22 ILE 7 HG22 ILE 7 2.708 -6.694 5.639
61 HG23 ILE 7 HG23 ILE 7 0.964 -6.775 5.393
62 HD11 ILE 7 HD11 ILE 7 3.584 -1.977 4.789
63 HD12 ILE 7 HD12 ILE 7 1.858 -2.242 4.535
64 HD13 ILE 7 HD13 ILE 7 3.020 -2.771 3.317
65 H HIS 8 HN HIS 8 0.063 -5.408 1.797
66 HA HIS 8 HA HIS 8 -1.083 -7.859 2.820
67 HB2 HIS 8 HB2 HIS 8 -2.374 -5.697 2.508
68 HB3 HIS 8 HB1 HIS 8 -2.313 -6.016 0.772
69 HD1 HIS 8 HD1 HIS 8 -3.855 -7.275 3.963
70 HD2 HIS 8 HD2 HIS 8 -4.069 -7.981 -0.130
71 HE1 HIS 8 HE1 HIS 8 -5.870 -8.736 3.630
72 HE2 HIS 8 HE2 HIS 8 -5.828 -9.343 1.185
73 H CYS 9 HN CYS 9 0.092 -6.664 -0.345
74 HA CYS 9 HA CYS 9 -0.313 -9.412 -1.306
75 HB2 CYS 9 HB2 CYS 9 -1.029 -8.616 -3.408
76 HB3 CYS 9 HB1 CYS 9 -1.927 -7.701 -2.211
77 H GLN 10 HN GLN 10 1.942 -7.072 -0.658
78 HA GLN 10 HA GLN 10 4.176 -6.930 -0.966
79 HB2 GLN 10 HB2 GLN 10 3.798 -9.617 -2.297
80 HB3 GLN 10 HB1 GLN 10 5.373 -8.883 -2.001
81 HG2 GLN 10 HG2 GLN 10 5.124 -9.046 0.333
82 HG3 GLN 10 HG1 GLN 10 3.397 -9.375 0.206
83 HE21 GLN 10 HE21 GLN 10 2.695 -11.410 -0.362
84 HE22 GLN 10 HE22 GLN 10 3.743 -12.804 -0.316
85 H ARG 11 HN ARG 11 3.639 -5.091 -2.344
86 HA ARG 11 HA ARG 11 4.888 -5.432 -4.946
87 HB2 ARG 11 HB2 ARG 11 2.369 -5.366 -5.216
88 HB3 ARG 11 HB1 ARG 11 2.428 -3.728 -4.555
89 HG2 ARG 11 HG2 ARG 11 4.035 -3.165 -6.371
90 HG3 ARG 11 HG1 ARG 11 3.663 -4.730 -7.087
91 HD2 ARG 11 HD2 ARG 11 1.720 -2.485 -6.560
92 HD3 ARG 11 HD1 ARG 11 2.339 -2.987 -8.132
93 HE ARG 11 HE ARG 11 1.028 -5.126 -6.765
94 HH11 ARG 11 HH11 ARG 11 0.518 -2.283 -8.752
95 HH12 ARG 11 HH12 ARG 11 -1.043 -2.802 -9.313
96 HH21 ARG 11 HH21 ARG 11 -1.044 -5.796 -7.482
97 HH22 ARG 11 HH22 ARG 11 -1.941 -4.780 -8.577
98 H GLN 12 HN GLN 12 6.068 -3.572 -5.587
99 HA GLN 12 HA GLN 12 6.888 -1.983 -3.296
100 HB2 GLN 12 HB2 GLN 12 8.043 -2.252 -6.070
101 HB3 GLN 12 HB1 GLN 12 8.767 -1.332 -4.764
102 HG2 GLN 12 HG2 GLN 12 9.121 -3.302 -3.472
103 HG3 GLN 12 HG1 GLN 12 8.200 -4.271 -4.616
104 HE21 GLN 12 HE21 GLN 12 10.434 -1.779 -5.601
105 HE22 GLN 12 HE22 GLN 12 11.641 -2.847 -6.257
106 H PHE 13 HN PHE 13 6.420 0.079 -2.969
107 HA PHE 13 HA PHE 13 5.600 1.732 -5.267
108 HB2 PHE 13 HB2 PHE 13 4.353 1.666 -2.513
109 HB3 PHE 13 HB1 PHE 13 4.046 2.944 -3.697
110 HD1 PHE 13 HD1 PHE 13 2.930 2.369 -5.847
111 HD2 PHE 13 HD2 PHE 13 3.271 -0.409 -2.640
112 HE1 PHE 13 HE1 PHE 13 1.128 1.015 -6.829
113 HE2 PHE 13 HE2 PHE 13 1.473 -1.766 -3.617
114 HZ PHE 13 HZ PHE 13 0.432 -1.062 -5.766
115 H ALA 14 HN ALA 14 5.694 4.139 -4.644
116 HA ALA 14 HA ALA 14 8.451 4.489 -3.722
117 HB1 ALA 14 HB1 ALA 14 8.448 6.512 -5.040
118 HB2 ALA 14 HB2 ALA 14 6.722 6.327 -5.355
119 HB3 ALA 14 HB3 ALA 14 7.871 5.155 -6.009
120 H ASP 15 HN ASP 15 5.456 4.892 -2.377
121 HA ASP 15 HA ASP 15 6.439 6.858 -0.480
122 HB2 ASP 15 HB2 ASP 15 5.228 8.006 -2.564
123 HB3 ASP 15 HB1 ASP 15 3.800 7.493 -1.708
124 HA PRO 16 HA PRO 16 3.555 4.616 2.187
125 HB2 PRO 16 HB2 PRO 16 3.374 7.154 3.688
126 HB3 PRO 16 HB1 PRO 16 3.905 5.562 4.240
127 HG2 PRO 16 HG2 PRO 16 5.647 7.567 3.889
128 HG3 PRO 16 HG1 PRO 16 6.073 5.884 3.524
129 HD2 PRO 16 HD2 PRO 16 5.298 8.090 1.647
130 HD3 PRO 16 HD1 PRO 16 6.564 6.857 1.467
131 H GLY 17 HN GLY 17 3.131 7.749 0.782
132 HA2 GLY 17 HA2 GLY 17 0.402 8.194 1.057
133 HA3 GLY 17 HA1 GLY 17 1.393 8.688 -0.322
134 H ALA 18 HN ALA 18 2.124 6.370 -1.458
135 HA ALA 18 HA ALA 18 -0.282 5.569 -2.758
136 HB1 ALA 18 HB1 ALA 18 2.492 4.426 -2.992
137 HB2 ALA 18 HB2 ALA 18 1.781 5.673 -4.020
138 HB3 ALA 18 HB3 ALA 18 1.122 4.034 -4.030
139 H LEU 19 HN LEU 19 1.567 4.336 -0.087
140 HA LEU 19 HA LEU 19 0.564 1.679 -0.248
141 HB2 LEU 19 HB2 LEU 19 2.240 3.239 1.599
142 HB3 LEU 19 HB1 LEU 19 1.225 2.036 2.389
143 HG LEU 19 HG LEU 19 3.507 1.220 1.842
144 HD11 LEU 19 HD11 LEU 19 2.777 -0.904 0.892
145 HD12 LEU 19 HD12 LEU 19 1.253 -0.166 0.396
146 HD13 LEU 19 HD13 LEU 19 1.639 -0.328 2.110
147 HD21 LEU 19 HD21 LEU 19 3.828 2.450 -0.238
148 HD22 LEU 19 HD22 LEU 19 2.555 1.501 -1.003
149 HD23 LEU 19 HD23 LEU 19 4.047 0.718 -0.485
150 H GLN 20 HN GLN 20 -0.361 4.676 1.300
151 HA GLN 20 HA GLN 20 -2.408 3.390 2.746
152 HB2 GLN 20 HB2 GLN 20 -2.960 5.481 3.686
153 HB3 GLN 20 HB1 GLN 20 -1.222 5.514 3.450
154 HG2 GLN 20 HG2 GLN 20 -1.508 6.800 1.411
155 HG3 GLN 20 HG1 GLN 20 -3.256 6.792 1.651
156 HE21 GLN 20 HE21 GLN 20 -4.138 7.996 3.335
157 HE22 GLN 20 HE22 GLN 20 -3.257 9.263 4.121
158 H ARG 21 HN ARG 21 -2.131 5.116 -0.170
159 HA ARG 21 HA ARG 21 -4.877 5.194 -0.892
160 HB2 ARG 21 HB2 ARG 21 -2.387 5.871 -2.103
161 HB3 ARG 21 HB1 ARG 21 -3.223 4.792 -3.211
162 HG2 ARG 21 HG2 ARG 21 -3.799 7.010 -3.802
163 HG3 ARG 21 HG1 ARG 21 -5.215 6.296 -3.026
164 HD2 ARG 21 HD2 ARG 21 -4.525 7.373 -0.905
165 HD3 ARG 21 HD1 ARG 21 -3.218 8.172 -1.777
166 HE ARG 21 HE ARG 21 -5.737 8.663 -3.010
167 HH11 ARG 21 HH11 ARG 21 -3.611 9.688 -0.428
168 HH12 ARG 21 HH12 ARG 21 -4.425 11.205 -0.183
169 HH21 ARG 21 HH21 ARG 21 -6.794 10.662 -2.726
170 HH22 ARG 21 HH22 ARG 21 -6.220 11.777 -1.519
171 H HIS 22 HN HIS 22 -2.334 2.837 -1.077
172 HA HIS 22 HA HIS 22 -3.629 1.048 -2.886
173 HB2 HIS 22 HB2 HIS 22 -1.145 1.256 -2.338
174 HB3 HIS 22 HB1 HIS 22 -1.495 0.296 -0.917
175 HD1 HIS 22 HD1 HIS 22 -2.027 -0.012 -4.699
176 HD2 HIS 22 HD2 HIS 22 -1.286 -2.281 -1.297
177 HE1 HIS 22 HE1 HIS 22 -1.696 -2.391 -5.491
178 H VAL 23 HN VAL 23 -3.170 1.098 0.630
179 HA VAL 23 HA VAL 23 -4.265 -1.453 0.957
180 HB VAL 23 HB VAL 23 -3.972 0.763 2.999
181 HG11 VAL 23 HG11 VAL 23 -5.714 -0.832 3.682
182 HG12 VAL 23 HG12 VAL 23 -4.282 -0.952 4.703
183 HG13 VAL 23 HG13 VAL 23 -4.576 -2.161 3.452
184 HG21 VAL 23 HG21 VAL 23 -2.037 -0.542 3.756
185 HG22 VAL 23 HG22 VAL 23 -1.857 -0.037 2.075
186 HG23 VAL 23 HG23 VAL 23 -2.310 -1.700 2.455
187 H ARG 24 HN ARG 24 -5.659 1.785 0.995
188 HA ARG 24 HA ARG 24 -8.281 1.105 1.701
189 HB2 ARG 24 HB2 ARG 24 -7.256 3.302 -0.098
190 HB3 ARG 24 HB1 ARG 24 -8.914 3.187 0.481
191 HG2 ARG 24 HG2 ARG 24 -8.025 3.266 2.805
192 HG3 ARG 24 HG1 ARG 24 -6.431 3.578 2.128
193 HD2 ARG 24 HD2 ARG 24 -7.741 5.611 2.869
194 HD3 ARG 24 HD1 ARG 24 -7.092 5.651 1.230
195 HE ARG 24 HE ARG 24 -9.365 5.048 0.467
196 HH11 ARG 24 HH11 ARG 24 -8.984 6.516 3.635
197 HH12 ARG 24 HH12 ARG 24 -10.580 7.198 3.634
198 HH21 ARG 24 HH21 ARG 24 -11.456 5.911 0.492
199 HH22 ARG 24 HH22 ARG 24 -11.990 6.860 1.850
200 H ILE 25 HN ILE 25 -6.518 0.694 -1.275
201 HA ILE 25 HA ILE 25 -8.739 0.183 -2.962
202 HB ILE 25 HB ILE 25 -5.824 -0.550 -3.141
203 HG12 ILE 25 HG12 ILE 25 -6.258 1.775 -3.472
204 HG13 ILE 25 HG11 ILE 25 -5.887 1.069 -5.031
205 HG21 ILE 25 HG21 ILE 25 -7.985 -1.138 -5.131
206 HG22 ILE 25 HG22 ILE 25 -6.946 -2.298 -4.299
207 HG23 ILE 25 HG23 ILE 25 -6.262 -1.184 -5.483
208 HD11 ILE 25 HD11 ILE 25 -8.644 1.706 -4.013
209 HD12 ILE 25 HD12 ILE 25 -8.246 1.037 -5.596
210 HD13 ILE 25 HD13 ILE 25 -7.720 2.665 -5.169
211 H HIS 26 HN HIS 26 -6.574 -1.921 -1.080
212 HA HIS 26 HA HIS 26 -7.843 -4.362 -1.749
213 HB2 HIS 26 HB2 HIS 26 -6.106 -3.523 0.559
214 HB3 HIS 26 HB1 HIS 26 -6.820 -5.126 0.497
215 HD1 HIS 26 HD1 HIS 26 -6.297 -5.823 -2.498
216 HD2 HIS 26 HD2 HIS 26 -3.530 -4.077 0.085
217 HE1 HIS 26 HE1 HIS 26 -3.985 -6.421 -3.392
218 H THR 27 HN THR 27 -8.527 -1.882 0.596
219 HA THR 27 HA THR 27 -10.532 -3.541 1.910
220 HB THR 27 HB THR 27 -9.988 -0.661 2.591
221 HG1 THR 27 HG1 THR 27 -7.949 -1.708 2.582
222 HG21 THR 27 HG21 THR 27 -11.883 -1.788 3.675
223 HG22 THR 27 HG22 THR 27 -10.611 -1.413 4.839
224 HG23 THR 27 HG23 THR 27 -10.798 -3.061 4.239
225 H GLY 28 HN GLY 28 -10.914 -2.814 -0.851
226 HA2 GLY 28 HA2 GLY 28 -12.948 -0.746 -0.885
227 HA3 GLY 28 HA1 GLY 28 -12.425 -1.726 -2.249
228 H GLU 29 HN GLU 29 -13.946 -2.242 0.909
229 HA GLU 29 HA GLU 29 -15.498 -4.443 -0.179
230 HB2 GLU 29 HB2 GLU 29 -15.191 -3.353 2.621
231 HB3 GLU 29 HB1 GLU 29 -16.196 -4.736 2.208
232 HG2 GLU 29 HG2 GLU 29 -14.270 -5.970 1.455
233 HG3 GLU 29 HG1 GLU 29 -13.232 -4.569 1.710
234 H LYS 30 HN LYS 30 -15.871 -1.127 0.531
235 HA LYS 30 HA LYS 30 -18.780 -1.366 0.154
236 HB2 LYS 30 HB2 LYS 30 -17.246 0.771 1.646
237 HB3 LYS 30 HB1 LYS 30 -18.983 0.783 1.367
238 HG2 LYS 30 HG2 LYS 30 -19.239 -1.222 2.703
239 HG3 LYS 30 HG1 LYS 30 -17.491 -1.315 2.930
240 HD2 LYS 30 HD2 LYS 30 -17.524 0.831 4.098
241 HD3 LYS 30 HD1 LYS 30 -19.268 0.941 3.860
242 HE2 LYS 30 HE2 LYS 30 -17.815 -1.174 5.445
243 HE3 LYS 30 HE1 LYS 30 -18.739 0.173 6.111
244 HZ1 LYS 30 HZ1 LYS 30 -20.136 -1.698 6.179
245 HZ2 LYS 30 HZ2 LYS 30 -19.755 -2.164 4.596
246 HZ3 LYS 30 HZ3 LYS 30 -20.695 -0.774 4.868
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 15.631 5.425 -2.678
2 H2 MET 1 HT2 MET 1 14.420 4.530 -3.452
3 H3 MET 1 HT3 MET 1 15.988 4.563 -4.095
4 HA MET 1 HA MET 1 15.575 2.481 -2.980
5 HB2 MET 1 HB2 MET 1 17.479 4.295 -1.475
6 HB3 MET 1 HB1 MET 1 17.474 2.539 -1.375
7 HG2 MET 1 HG2 MET 1 18.008 2.394 -3.748
8 HG3 MET 1 HG1 MET 1 17.997 4.153 -3.863
9 HE1 MET 1 HE1 MET 1 20.392 4.150 -4.943
10 HE2 MET 1 HE2 MET 1 20.437 2.387 -4.865
11 HE3 MET 1 HE3 MET 1 21.790 3.332 -4.245
12 H LYS 2 HN LYS 2 15.492 1.459 -0.746
13 HA LYS 2 HA LYS 2 14.103 0.953 0.979
14 HB2 LYS 2 HB2 LYS 2 14.551 3.891 1.494
15 HB3 LYS 2 HB1 LYS 2 13.610 2.879 2.581
16 HG2 LYS 2 HG2 LYS 2 16.470 2.339 1.814
17 HG3 LYS 2 HG1 LYS 2 15.968 3.191 3.276
18 HD2 LYS 2 HD2 LYS 2 14.707 1.205 3.981
19 HD3 LYS 2 HD1 LYS 2 15.248 0.357 2.529
20 HE2 LYS 2 HE2 LYS 2 17.564 0.563 3.256
21 HE3 LYS 2 HE1 LYS 2 17.047 1.454 4.689
22 HZ1 LYS 2 HZ1 LYS 2 16.271 -1.338 4.043
23 HZ2 LYS 2 HZ2 LYS 2 15.861 -0.482 5.450
24 HZ3 LYS 2 HZ3 LYS 2 17.476 -0.895 5.154
25 HA PRO 3 HA PRO 3 10.437 2.507 -1.380
26 HB2 PRO 3 HB2 PRO 3 9.520 0.151 -2.269
27 HB3 PRO 3 HB1 PRO 3 10.863 0.981 -3.077
28 HG2 PRO 3 HG2 PRO 3 10.931 -1.288 -1.128
29 HG3 PRO 3 HG1 PRO 3 11.843 -1.071 -2.629
30 HD2 PRO 3 HD2 PRO 3 12.862 -0.540 -0.145
31 HD3 PRO 3 HD1 PRO 3 13.416 0.267 -1.625
32 H TYR 4 HN TYR 4 8.138 1.810 -1.175
33 HA TYR 4 HA TYR 4 7.611 0.827 1.540
34 HB2 TYR 4 HB2 TYR 4 6.013 2.814 -0.119
35 HB3 TYR 4 HB1 TYR 4 5.597 2.244 1.498
36 HD1 TYR 4 HD1 TYR 4 7.872 4.357 -0.440
37 HD2 TYR 4 HD2 TYR 4 6.795 3.024 3.454
38 HE1 TYR 4 HE1 TYR 4 9.194 6.181 0.543
39 HE2 TYR 4 HE2 TYR 4 8.115 4.842 4.450
40 HH TYR 4 HH TYR 4 9.275 7.470 2.638
41 H VAL 5 HN VAL 5 7.110 -1.253 1.275
42 HA VAL 5 HA VAL 5 5.809 -2.103 -1.172
43 HB VAL 5 HB VAL 5 6.410 -4.332 -0.581
44 HG11 VAL 5 HG11 VAL 5 8.820 -4.160 -0.460
45 HG12 VAL 5 HG12 VAL 5 8.693 -2.507 0.141
46 HG13 VAL 5 HG13 VAL 5 8.171 -2.889 -1.499
47 HG21 VAL 5 HG21 VAL 5 7.315 -3.271 2.097
48 HG22 VAL 5 HG22 VAL 5 7.499 -4.929 1.520
49 HG23 VAL 5 HG23 VAL 5 5.889 -4.269 1.811
50 H CYS 6 HN CYS 6 3.880 -3.061 -1.330
51 HA CYS 6 HA CYS 6 1.868 -2.646 0.598
52 HB2 CYS 6 HB2 CYS 6 1.569 -2.968 -1.895
53 HB3 CYS 6 HB1 CYS 6 1.839 -4.681 -1.635
54 H ILE 7 HN ILE 7 1.560 -3.732 2.429
55 HA ILE 7 HA ILE 7 2.984 -6.099 3.068
56 HB ILE 7 HB ILE 7 0.729 -4.670 4.499
57 HG12 ILE 7 HG12 ILE 7 2.662 -4.061 6.076
58 HG13 ILE 7 HG11 ILE 7 3.732 -4.563 4.773
59 HG21 ILE 7 HG21 ILE 7 2.532 -6.839 5.530
60 HG22 ILE 7 HG22 ILE 7 0.820 -7.003 5.149
61 HG23 ILE 7 HG23 ILE 7 1.330 -5.951 6.467
62 HD11 ILE 7 HD11 ILE 7 2.855 -2.853 3.333
63 HD12 ILE 7 HD12 ILE 7 3.351 -2.130 4.867
64 HD13 ILE 7 HD13 ILE 7 1.643 -2.413 4.537
65 H HIS 8 HN HIS 8 0.009 -5.445 1.517
66 HA HIS 8 HA HIS 8 -1.298 -7.846 2.489
67 HB2 HIS 8 HB2 HIS 8 -2.440 -5.586 2.113
68 HB3 HIS 8 HB1 HIS 8 -2.382 -5.973 0.393
69 HD1 HIS 8 HD1 HIS 8 -4.352 -6.492 3.418
70 HD2 HIS 8 HD2 HIS 8 -3.927 -8.376 -0.270
71 HE1 HIS 8 HE1 HIS 8 -6.389 -7.948 3.156
72 HE2 HIS 8 HE2 HIS 8 -6.058 -9.164 0.968
73 H CYS 9 HN CYS 9 0.186 -6.701 -0.547
74 HA CYS 9 HA CYS 9 -0.290 -9.408 -1.591
75 HB2 CYS 9 HB2 CYS 9 -0.801 -8.537 -3.740
76 HB3 CYS 9 HB1 CYS 9 -1.746 -7.609 -2.598
77 H GLN 10 HN GLN 10 1.956 -7.156 -0.712
78 HA GLN 10 HA GLN 10 4.200 -7.114 -0.721
79 HB2 GLN 10 HB2 GLN 10 3.893 -9.815 -2.022
80 HB3 GLN 10 HB1 GLN 10 5.448 -9.131 -1.543
81 HG2 GLN 10 HG2 GLN 10 4.650 -9.001 0.777
82 HG3 GLN 10 HG1 GLN 10 3.128 -9.734 0.279
83 HE21 GLN 10 HE21 GLN 10 6.196 -10.700 -1.071
84 HE22 GLN 10 HE22 GLN 10 6.251 -12.267 -0.314
85 H ARG 11 HN ARG 11 3.270 -5.464 -2.464
86 HA ARG 11 HA ARG 11 5.137 -5.680 -4.698
87 HB2 ARG 11 HB2 ARG 11 2.246 -4.885 -4.728
88 HB3 ARG 11 HB1 ARG 11 3.363 -4.232 -5.920
89 HG2 ARG 11 HG2 ARG 11 3.894 -6.433 -6.715
90 HG3 ARG 11 HG1 ARG 11 2.944 -7.167 -5.424
91 HD2 ARG 11 HD2 ARG 11 0.907 -6.250 -6.357
92 HD3 ARG 11 HD1 ARG 11 1.832 -5.391 -7.592
93 HE ARG 11 HE ARG 11 2.374 -7.495 -8.595
94 HH11 ARG 11 HH11 ARG 11 -0.037 -7.665 -6.058
95 HH12 ARG 11 HH12 ARG 11 -0.653 -9.200 -6.572
96 HH21 ARG 11 HH21 ARG 11 1.553 -9.510 -9.281
97 HH22 ARG 11 HH22 ARG 11 0.261 -10.266 -8.387
98 H GLN 12 HN GLN 12 6.228 -3.762 -5.215
99 HA GLN 12 HA GLN 12 6.448 -2.088 -2.860
100 HB2 GLN 12 HB2 GLN 12 8.207 -2.018 -5.300
101 HB3 GLN 12 HB1 GLN 12 8.597 -1.530 -3.660
102 HG2 GLN 12 HG2 GLN 12 8.340 -3.923 -2.975
103 HG3 GLN 12 HG1 GLN 12 8.195 -4.323 -4.683
104 HE21 GLN 12 HE21 GLN 12 10.166 -5.180 -2.761
105 HE22 GLN 12 HE22 GLN 12 11.712 -4.686 -3.398
106 H PHE 13 HN PHE 13 6.060 0.021 -2.715
107 HA PHE 13 HA PHE 13 5.471 1.535 -5.174
108 HB2 PHE 13 HB2 PHE 13 4.084 1.629 -2.493
109 HB3 PHE 13 HB1 PHE 13 3.972 2.957 -3.658
110 HD1 PHE 13 HD2 PHE 13 3.051 -0.505 -2.942
111 HD2 PHE 13 HD1 PHE 13 2.726 2.711 -5.709
112 HE1 PHE 13 HE2 PHE 13 1.210 -1.677 -4.080
113 HE2 PHE 13 HE1 PHE 13 0.881 1.552 -6.846
114 HZ PHE 13 HZ PHE 13 0.164 -0.652 -6.092
115 H ALA 14 HN ALA 14 5.650 3.986 -4.695
116 HA ALA 14 HA ALA 14 8.398 4.317 -3.762
117 HB1 ALA 14 HB1 ALA 14 8.390 6.374 -5.008
118 HB2 ALA 14 HB2 ALA 14 6.648 6.256 -5.258
119 HB3 ALA 14 HB3 ALA 14 7.732 5.084 -6.018
120 H ASP 15 HN ASP 15 5.165 5.488 -3.068
121 HA ASP 15 HA ASP 15 6.271 7.293 -1.006
122 HB2 ASP 15 HB2 ASP 15 4.644 8.027 -3.056
123 HB3 ASP 15 HB1 ASP 15 3.468 7.562 -1.861
124 HA PRO 16 HA PRO 16 3.868 4.992 2.032
125 HB2 PRO 16 HB2 PRO 16 3.740 7.501 3.554
126 HB3 PRO 16 HB1 PRO 16 4.565 5.995 3.970
127 HG2 PRO 16 HG2 PRO 16 5.922 8.232 3.318
128 HG3 PRO 16 HG1 PRO 16 6.519 6.615 2.895
129 HD2 PRO 16 HD2 PRO 16 5.046 8.598 1.191
130 HD3 PRO 16 HD1 PRO 16 6.473 7.631 0.774
131 H GLY 17 HN GLY 17 3.148 8.078 0.664
132 HA2 GLY 17 HA2 GLY 17 0.432 8.387 1.239
133 HA3 GLY 17 HA1 GLY 17 1.269 8.974 -0.204
134 H ALA 18 HN ALA 18 2.093 6.548 -1.275
135 HA ALA 18 HA ALA 18 -0.356 5.832 -2.574
136 HB1 ALA 18 HB1 ALA 18 0.994 4.451 -4.016
137 HB2 ALA 18 HB2 ALA 18 2.396 4.693 -2.977
138 HB3 ALA 18 HB3 ALA 18 1.708 6.056 -3.862
139 H LEU 19 HN LEU 19 1.586 4.449 -0.013
140 HA LEU 19 HA LEU 19 0.589 1.816 -0.369
141 HB2 LEU 19 HB2 LEU 19 2.137 3.229 1.736
142 HB3 LEU 19 HB1 LEU 19 1.250 1.790 2.219
143 HG LEU 19 HG LEU 19 3.507 2.007 0.241
144 HD11 LEU 19 HD11 LEU 19 3.062 0.397 2.747
145 HD12 LEU 19 HD12 LEU 19 4.128 1.792 2.569
146 HD13 LEU 19 HD13 LEU 19 4.482 0.294 1.704
147 HD21 LEU 19 HD21 LEU 19 3.150 -0.412 -0.175
148 HD22 LEU 19 HD22 LEU 19 1.863 0.602 -0.816
149 HD23 LEU 19 HD23 LEU 19 1.612 -0.297 0.679
150 H GLN 20 HN GLN 20 -0.333 4.659 1.474
151 HA GLN 20 HA GLN 20 -2.344 3.196 2.785
152 HB2 GLN 20 HB2 GLN 20 -1.899 6.161 2.672
153 HB3 GLN 20 HB1 GLN 20 -3.107 5.384 3.689
154 HG2 GLN 20 HG2 GLN 20 -1.187 4.063 4.694
155 HG3 GLN 20 HG1 GLN 20 -0.121 5.202 3.874
156 HE21 GLN 20 HE21 GLN 20 -1.911 7.466 4.253
157 HE22 GLN 20 HE22 GLN 20 -1.824 7.887 5.932
158 H ARG 21 HN ARG 21 -2.157 5.181 0.027
159 HA ARG 21 HA ARG 21 -4.918 5.262 -0.610
160 HB2 ARG 21 HB2 ARG 21 -2.470 6.051 -1.831
161 HB3 ARG 21 HB1 ARG 21 -3.313 5.024 -2.981
162 HG2 ARG 21 HG2 ARG 21 -4.459 7.472 -1.657
163 HG3 ARG 21 HG1 ARG 21 -3.835 7.386 -3.305
164 HD2 ARG 21 HD2 ARG 21 -5.553 5.862 -3.948
165 HD3 ARG 21 HD1 ARG 21 -6.089 5.676 -2.279
166 HE ARG 21 HE ARG 21 -6.213 8.375 -3.299
167 HH11 ARG 21 HH11 ARG 21 -7.904 5.338 -2.973
168 HH12 ARG 21 HH12 ARG 21 -9.485 6.059 -2.994
169 HH21 ARG 21 HH21 ARG 21 -8.270 9.345 -3.361
170 HH22 ARG 21 HH22 ARG 21 -9.699 8.352 -3.239
171 H HIS 22 HN HIS 22 -2.323 2.987 -1.059
172 HA HIS 22 HA HIS 22 -3.680 1.288 -2.912
173 HB2 HIS 22 HB2 HIS 22 -1.194 1.479 -2.602
174 HB3 HIS 22 HB1 HIS 22 -1.372 0.547 -1.132
175 HD1 HIS 22 HD1 HIS 22 -2.281 0.157 -4.820
176 HD2 HIS 22 HD2 HIS 22 -1.177 -2.056 -1.488
177 HE1 HIS 22 HE1 HIS 22 -2.109 -2.241 -5.593
178 H VAL 23 HN VAL 23 -3.020 1.110 0.566
179 HA VAL 23 HA VAL 23 -4.005 -1.497 0.753
180 HB VAL 23 HB VAL 23 -3.685 0.563 2.942
181 HG11 VAL 23 HG11 VAL 23 -4.178 -2.408 3.162
182 HG12 VAL 23 HG12 VAL 23 -5.313 -1.135 3.609
183 HG13 VAL 23 HG13 VAL 23 -3.808 -1.324 4.505
184 HG21 VAL 23 HG21 VAL 23 -1.602 -0.083 1.816
185 HG22 VAL 23 HG22 VAL 23 -1.962 -1.781 2.129
186 HG23 VAL 23 HG23 VAL 23 -1.649 -0.685 3.474
187 H ARG 24 HN ARG 24 -5.517 1.643 0.951
188 HA ARG 24 HA ARG 24 -8.063 0.653 1.792
189 HB2 ARG 24 HB2 ARG 24 -7.346 3.275 0.474
190 HB3 ARG 24 HB1 ARG 24 -8.911 2.887 1.179
191 HG2 ARG 24 HG2 ARG 24 -7.552 2.407 3.327
192 HG3 ARG 24 HG1 ARG 24 -6.296 3.362 2.541
193 HD2 ARG 24 HD2 ARG 24 -9.115 4.252 3.130
194 HD3 ARG 24 HD1 ARG 24 -7.662 4.750 3.995
195 HE ARG 24 HE ARG 24 -6.985 5.638 1.667
196 HH11 ARG 24 HH11 ARG 24 -10.230 5.575 2.952
197 HH12 ARG 24 HH12 ARG 24 -10.750 6.991 2.091
198 HH21 ARG 24 HH21 ARG 24 -7.645 7.494 0.514
199 HH22 ARG 24 HH22 ARG 24 -9.271 8.082 0.693
200 H ILE 25 HN ILE 25 -6.365 0.450 -1.103
201 HA ILE 25 HA ILE 25 -8.649 0.190 -2.822
202 HB ILE 25 HB ILE 25 -5.758 -0.615 -3.114
203 HG12 ILE 25 HG12 ILE 25 -7.426 1.447 -4.565
204 HG13 ILE 25 HG11 ILE 25 -6.304 1.775 -3.260
205 HG21 ILE 25 HG21 ILE 25 -6.278 -1.138 -5.459
206 HG22 ILE 25 HG22 ILE 25 -7.995 -0.991 -5.077
207 HG23 ILE 25 HG23 ILE 25 -7.022 -2.253 -4.310
208 HD11 ILE 25 HD11 ILE 25 -4.461 0.941 -4.639
209 HD12 ILE 25 HD12 ILE 25 -5.298 2.307 -5.384
210 HD13 ILE 25 HD13 ILE 25 -5.601 0.668 -5.959
211 H HIS 26 HN HIS 26 -6.385 -2.070 -1.243
212 HA HIS 26 HA HIS 26 -7.775 -4.434 -1.967
213 HB2 HIS 26 HB2 HIS 26 -5.865 -3.849 0.297
214 HB3 HIS 26 HB1 HIS 26 -6.570 -5.432 0.043
215 HD1 HIS 26 HD1 HIS 26 -6.103 -5.778 -3.024
216 HD2 HIS 26 HD2 HIS 26 -3.343 -4.234 -0.311
217 HE1 HIS 26 HE1 HIS 26 -3.772 -6.294 -3.966
218 H THR 27 HN THR 27 -7.735 -2.505 1.011
219 HA THR 27 HA THR 27 -10.033 -4.061 1.986
220 HB THR 27 HB THR 27 -8.165 -2.472 3.739
221 HG1 THR 27 HG1 THR 27 -7.874 -5.133 2.738
222 HG21 THR 27 HG21 THR 27 -9.891 -4.904 4.251
223 HG22 THR 27 HG22 THR 27 -10.288 -3.250 4.717
224 HG23 THR 27 HG23 THR 27 -8.905 -4.062 5.448
225 H GLY 28 HN GLY 28 -10.684 -2.085 0.277
226 HA2 GLY 28 HA2 GLY 28 -11.296 0.345 1.742
227 HA3 GLY 28 HA1 GLY 28 -11.729 -0.013 0.073
228 H GLU 29 HN GLU 29 -12.382 -1.512 3.214
229 HA GLU 29 HA GLU 29 -14.846 -2.596 2.557
230 HB2 GLU 29 HB2 GLU 29 -13.920 -1.695 5.278
231 HB3 GLU 29 HB1 GLU 29 -15.193 -2.863 4.949
232 HG2 GLU 29 HG2 GLU 29 -12.283 -3.192 4.258
233 HG3 GLU 29 HG1 GLU 29 -13.124 -3.940 5.608
234 H LYS 30 HN LYS 30 -14.116 0.446 4.198
235 HA LYS 30 HA LYS 30 -16.759 1.439 3.403
236 HB2 LYS 30 HB2 LYS 30 -15.414 1.835 6.083
237 HB3 LYS 30 HB1 LYS 30 -16.807 2.759 5.542
238 HG2 LYS 30 HG2 LYS 30 -18.109 0.685 5.388
239 HG3 LYS 30 HG1 LYS 30 -16.712 -0.220 5.977
240 HD2 LYS 30 HD2 LYS 30 -16.754 1.073 8.054
241 HD3 LYS 30 HD1 LYS 30 -18.145 1.980 7.465
242 HE2 LYS 30 HE2 LYS 30 -18.857 0.239 8.997
243 HE3 LYS 30 HE1 LYS 30 -19.448 -0.096 7.370
244 HZ1 LYS 30 HZ1 LYS 30 -17.756 -1.734 7.072
245 HZ2 LYS 30 HZ2 LYS 30 -18.526 -2.058 8.545
246 HZ3 LYS 30 HZ3 LYS 30 -17.005 -1.318 8.534
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 13.206 -2.358 3.672
2 H2 MET 1 HT2 MET 1 12.218 -2.961 4.908
3 H3 MET 1 HT3 MET 1 13.606 -2.065 5.293
4 HA MET 1 HA MET 1 11.198 -1.070 3.888
5 HB2 MET 1 HB2 MET 1 12.212 -0.666 6.696
6 HB3 MET 1 HB1 MET 1 11.055 0.423 5.951
7 HG2 MET 1 HG2 MET 1 9.552 -1.537 5.611
8 HG3 MET 1 HG1 MET 1 10.686 -2.497 6.556
9 HE1 MET 1 HE1 MET 1 10.573 -0.593 10.008
10 HE2 MET 1 HE2 MET 1 11.646 -0.235 8.655
11 HE3 MET 1 HE3 MET 1 11.320 -1.910 9.103
12 H LYS 2 HN LYS 2 12.855 -0.434 2.227
13 HA LYS 2 HA LYS 2 13.710 2.285 2.968
14 HB2 LYS 2 HB2 LYS 2 15.622 0.860 2.249
15 HB3 LYS 2 HB1 LYS 2 14.836 0.641 0.689
16 HG2 LYS 2 HG2 LYS 2 14.980 3.010 0.243
17 HG3 LYS 2 HG1 LYS 2 15.669 3.295 1.841
18 HD2 LYS 2 HD2 LYS 2 17.601 1.894 1.230
19 HD3 LYS 2 HD1 LYS 2 16.917 1.687 -0.385
20 HE2 LYS 2 HE2 LYS 2 17.015 4.110 -0.730
21 HE3 LYS 2 HE1 LYS 2 17.705 4.309 0.881
22 HZ1 LYS 2 HZ1 LYS 2 18.963 2.759 -1.318
23 HZ2 LYS 2 HZ2 LYS 2 19.631 3.075 0.210
24 HZ3 LYS 2 HZ3 LYS 2 19.381 4.346 -0.882
25 HA PRO 3 HA PRO 3 10.843 2.601 -0.826
26 HB2 PRO 3 HB2 PRO 3 9.967 0.394 -2.067
27 HB3 PRO 3 HB1 PRO 3 11.511 1.143 -2.523
28 HG2 PRO 3 HG2 PRO 3 11.002 -1.234 -0.775
29 HG3 PRO 3 HG1 PRO 3 12.217 -1.018 -2.045
30 HD2 PRO 3 HD2 PRO 3 12.745 -0.724 0.626
31 HD3 PRO 3 HD1 PRO 3 13.646 0.120 -0.650
32 H TYR 4 HN TYR 4 8.414 1.905 -1.088
33 HA TYR 4 HA TYR 4 7.560 1.012 1.575
34 HB2 TYR 4 HB2 TYR 4 6.108 2.947 -0.261
35 HB3 TYR 4 HB1 TYR 4 5.704 2.541 1.407
36 HD1 TYR 4 HD2 TYR 4 7.309 3.147 3.248
37 HD2 TYR 4 HD1 TYR 4 7.737 4.626 -0.718
38 HE1 TYR 4 HE2 TYR 4 8.835 4.889 4.071
39 HE2 TYR 4 HE1 TYR 4 9.279 6.360 0.088
40 HH TYR 4 HH TYR 4 9.884 7.508 2.076
41 H VAL 5 HN VAL 5 7.024 -1.041 1.371
42 HA VAL 5 HA VAL 5 5.804 -1.953 -1.112
43 HB VAL 5 HB VAL 5 6.405 -4.196 -0.415
44 HG11 VAL 5 HG11 VAL 5 8.692 -2.258 -0.103
45 HG12 VAL 5 HG12 VAL 5 8.049 -2.867 -1.627
46 HG13 VAL 5 HG13 VAL 5 8.836 -3.970 -0.499
47 HG21 VAL 5 HG21 VAL 5 7.483 -2.889 2.084
48 HG22 VAL 5 HG22 VAL 5 7.750 -4.570 1.621
49 HG23 VAL 5 HG23 VAL 5 6.120 -4.005 1.986
50 H CYS 6 HN CYS 6 3.999 -3.239 -1.174
51 HA CYS 6 HA CYS 6 1.975 -2.722 0.787
52 HB2 CYS 6 HB2 CYS 6 1.579 -2.975 -1.699
53 HB3 CYS 6 HB1 CYS 6 1.872 -4.693 -1.506
54 H ILE 7 HN ILE 7 1.465 -3.922 2.488
55 HA ILE 7 HA ILE 7 2.992 -6.260 3.122
56 HB ILE 7 HB ILE 7 0.742 -4.835 4.568
57 HG12 ILE 7 HG12 ILE 7 2.684 -4.279 6.159
58 HG13 ILE 7 HG11 ILE 7 3.747 -4.783 4.850
59 HG21 ILE 7 HG21 ILE 7 2.507 -7.056 5.574
60 HG22 ILE 7 HG22 ILE 7 0.795 -7.184 5.180
61 HG23 ILE 7 HG23 ILE 7 1.316 -6.165 6.522
62 HD11 ILE 7 HD11 ILE 7 3.480 -2.378 4.878
63 HD12 ILE 7 HD12 ILE 7 1.729 -2.553 4.742
64 HD13 ILE 7 HD13 ILE 7 2.772 -3.061 3.413
65 H HIS 8 HN HIS 8 0.002 -5.539 1.633
66 HA HIS 8 HA HIS 8 -1.325 -7.981 2.447
67 HB2 HIS 8 HB2 HIS 8 -2.498 -5.777 2.115
68 HB3 HIS 8 HB1 HIS 8 -2.243 -5.975 0.381
69 HD1 HIS 8 HD1 HIS 8 -4.807 -6.328 2.718
70 HD2 HIS 8 HD2 HIS 8 -3.407 -8.792 -0.329
71 HE1 HIS 8 HE1 HIS 8 -6.714 -7.871 2.155
72 HE2 HIS 8 HE2 HIS 8 -5.831 -9.396 0.350
73 H CYS 9 HN CYS 9 0.113 -6.703 -0.579
74 HA CYS 9 HA CYS 9 -0.326 -9.382 -1.695
75 HB2 CYS 9 HB2 CYS 9 -0.800 -8.411 -3.818
76 HB3 CYS 9 HB1 CYS 9 -1.794 -7.594 -2.628
77 H GLN 10 HN GLN 10 1.974 -7.215 -0.741
78 HA GLN 10 HA GLN 10 4.225 -7.231 -0.784
79 HB2 GLN 10 HB2 GLN 10 3.859 -9.833 -2.270
80 HB3 GLN 10 HB1 GLN 10 5.415 -9.217 -1.706
81 HG2 GLN 10 HG2 GLN 10 4.508 -9.252 0.612
82 HG3 GLN 10 HG1 GLN 10 3.055 -10.025 -0.023
83 HE21 GLN 10 HE21 GLN 10 6.250 -10.644 -1.282
84 HE22 GLN 10 HE22 GLN 10 6.379 -12.275 -0.695
85 H ARG 11 HN ARG 11 3.353 -5.451 -2.431
86 HA ARG 11 HA ARG 11 5.052 -5.712 -4.810
87 HB2 ARG 11 HB2 ARG 11 2.487 -4.168 -4.417
88 HB3 ARG 11 HB1 ARG 11 3.583 -3.872 -5.760
89 HG2 ARG 11 HG2 ARG 11 2.167 -6.470 -5.195
90 HG3 ARG 11 HG1 ARG 11 1.691 -5.279 -6.406
91 HD2 ARG 11 HD2 ARG 11 4.185 -5.630 -7.205
92 HD3 ARG 11 HD1 ARG 11 3.975 -7.183 -6.393
93 HE ARG 11 HE ARG 11 2.074 -6.282 -8.453
94 HH11 ARG 11 HH11 ARG 11 4.299 -8.688 -7.218
95 HH12 ARG 11 HH12 ARG 11 3.951 -9.832 -8.481
96 HH21 ARG 11 HH21 ARG 11 1.649 -7.772 -10.138
97 HH22 ARG 11 HH22 ARG 11 2.471 -9.304 -10.146
98 H GLN 12 HN GLN 12 6.046 -3.579 -5.455
99 HA GLN 12 HA GLN 12 6.808 -2.162 -2.998
100 HB2 GLN 12 HB2 GLN 12 8.325 -2.400 -5.605
101 HB3 GLN 12 HB1 GLN 12 8.900 -1.658 -4.127
102 HG2 GLN 12 HG2 GLN 12 8.704 -3.872 -3.009
103 HG3 GLN 12 HG1 GLN 12 8.310 -4.565 -4.579
104 HE21 GLN 12 HE21 GLN 12 9.902 -4.629 -6.189
105 HE22 GLN 12 HE22 GLN 12 11.593 -4.528 -5.786
106 H PHE 13 HN PHE 13 6.418 -0.011 -2.823
107 HA PHE 13 HA PHE 13 5.568 1.422 -5.250
108 HB2 PHE 13 HB2 PHE 13 4.281 1.561 -2.512
109 HB3 PHE 13 HB1 PHE 13 3.863 2.595 -3.885
110 HD1 PHE 13 HD1 PHE 13 2.869 1.572 -5.930
111 HD2 PHE 13 HD2 PHE 13 3.431 -0.628 -2.331
112 HE1 PHE 13 HE1 PHE 13 1.234 -0.092 -6.701
113 HE2 PHE 13 HE2 PHE 13 1.801 -2.303 -3.103
114 HZ PHE 13 HZ PHE 13 0.819 -2.110 -5.363
115 H ALA 14 HN ALA 14 5.453 3.844 -4.818
116 HA ALA 14 HA ALA 14 8.216 4.465 -4.195
117 HB1 ALA 14 HB1 ALA 14 6.115 6.152 -5.534
118 HB2 ALA 14 HB2 ALA 14 7.254 5.085 -6.356
119 HB3 ALA 14 HB3 ALA 14 7.844 6.489 -5.468
120 H ASP 15 HN ASP 15 5.062 5.209 -2.885
121 HA ASP 15 HA ASP 15 6.358 6.946 -0.891
122 HB2 ASP 15 HB2 ASP 15 4.952 8.148 -2.828
123 HB3 ASP 15 HB1 ASP 15 3.620 7.662 -1.811
124 HA PRO 16 HA PRO 16 3.687 4.723 1.997
125 HB2 PRO 16 HB2 PRO 16 3.706 7.216 3.573
126 HB3 PRO 16 HB1 PRO 16 4.281 5.608 4.022
127 HG2 PRO 16 HG2 PRO 16 5.975 7.646 3.536
128 HG3 PRO 16 HG1 PRO 16 6.381 5.965 3.140
129 HD2 PRO 16 HD2 PRO 16 5.462 8.172 1.342
130 HD3 PRO 16 HD1 PRO 16 6.676 6.911 1.043
131 H GLY 17 HN GLY 17 3.238 7.927 0.749
132 HA2 GLY 17 HA2 GLY 17 0.529 8.371 1.236
133 HA3 GLY 17 HA1 GLY 17 1.442 8.959 -0.157
134 H ALA 18 HN ALA 18 2.139 6.447 -1.227
135 HA ALA 18 HA ALA 18 -0.339 5.855 -2.558
136 HB1 ALA 18 HB1 ALA 18 0.989 4.280 -3.894
137 HB2 ALA 18 HB2 ALA 18 2.401 4.668 -2.908
138 HB3 ALA 18 HB3 ALA 18 1.650 5.918 -3.903
139 H LEU 19 HN LEU 19 1.605 4.409 -0.028
140 HA LEU 19 HA LEU 19 0.412 1.843 -0.263
141 HB2 LEU 19 HB2 LEU 19 2.031 3.191 1.870
142 HB3 LEU 19 HB1 LEU 19 1.223 1.662 2.196
143 HG LEU 19 HG LEU 19 3.415 2.193 0.201
144 HD11 LEU 19 HD11 LEU 19 3.166 0.436 2.634
145 HD12 LEU 19 HD12 LEU 19 4.191 1.860 2.449
146 HD13 LEU 19 HD13 LEU 19 4.524 0.403 1.511
147 HD21 LEU 19 HD21 LEU 19 3.206 -0.159 -0.442
148 HD22 LEU 19 HD22 LEU 19 1.744 0.744 -0.836
149 HD23 LEU 19 HD23 LEU 19 1.774 -0.313 0.577
150 H GLN 20 HN GLN 20 -0.367 4.832 1.341
151 HA GLN 20 HA GLN 20 -2.307 3.592 2.944
152 HB2 GLN 20 HB2 GLN 20 -2.933 5.740 3.752
153 HB3 GLN 20 HB1 GLN 20 -1.194 5.752 3.532
154 HG2 GLN 20 HG2 GLN 20 -1.446 6.936 1.430
155 HG3 GLN 20 HG1 GLN 20 -3.197 6.928 1.632
156 HE21 GLN 20 HE21 GLN 20 -1.369 9.189 1.400
157 HE22 GLN 20 HE22 GLN 20 -1.596 10.133 2.829
158 H ARG 21 HN ARG 21 -2.308 5.291 -0.019
159 HA ARG 21 HA ARG 21 -5.128 5.153 -0.444
160 HB2 ARG 21 HB2 ARG 21 -2.963 6.349 -1.738
161 HB3 ARG 21 HB1 ARG 21 -3.630 5.209 -2.904
162 HG2 ARG 21 HG2 ARG 21 -5.806 6.197 -2.719
163 HG3 ARG 21 HG1 ARG 21 -5.258 7.253 -1.416
164 HD2 ARG 21 HD2 ARG 21 -3.583 8.165 -3.062
165 HD3 ARG 21 HD1 ARG 21 -4.488 7.322 -4.319
166 HE ARG 21 HE ARG 21 -5.845 9.238 -2.548
167 HH11 ARG 21 HH11 ARG 21 -4.882 8.231 -5.772
168 HH12 ARG 21 HH12 ARG 21 -5.801 9.478 -6.555
169 HH21 ARG 21 HH21 ARG 21 -7.033 10.877 -3.587
170 HH22 ARG 21 HH22 ARG 21 -7.001 10.992 -5.329
171 H HIS 22 HN HIS 22 -2.437 3.064 -0.881
172 HA HIS 22 HA HIS 22 -3.605 1.280 -2.782
173 HB2 HIS 22 HB2 HIS 22 -1.142 1.552 -2.247
174 HB3 HIS 22 HB1 HIS 22 -1.441 0.593 -0.810
175 HD1 HIS 22 HD1 HIS 22 -2.054 0.217 -4.577
176 HD2 HIS 22 HD2 HIS 22 -1.069 -1.974 -1.182
177 HE1 HIS 22 HE1 HIS 22 -1.699 -2.162 -5.343
178 H VAL 23 HN VAL 23 -3.157 1.166 0.737
179 HA VAL 23 HA VAL 23 -4.176 -1.435 0.910
180 HB VAL 23 HB VAL 23 -3.946 0.648 3.094
181 HG11 VAL 23 HG11 VAL 23 -4.132 -1.215 4.674
182 HG12 VAL 23 HG12 VAL 23 -4.432 -2.323 3.336
183 HG13 VAL 23 HG13 VAL 23 -5.595 -1.050 3.704
184 HG21 VAL 23 HG21 VAL 23 -1.935 -0.600 3.741
185 HG22 VAL 23 HG22 VAL 23 -1.807 0.030 2.097
186 HG23 VAL 23 HG23 VAL 23 -2.163 -1.677 2.362
187 H ARG 24 HN ARG 24 -5.639 1.743 0.992
188 HA ARG 24 HA ARG 24 -8.260 1.024 1.678
189 HB2 ARG 24 HB2 ARG 24 -7.236 3.176 -0.169
190 HB3 ARG 24 HB1 ARG 24 -8.921 3.024 0.307
191 HG2 ARG 24 HG2 ARG 24 -8.053 3.169 2.711
192 HG3 ARG 24 HG1 ARG 24 -6.552 3.750 1.986
193 HD2 ARG 24 HD2 ARG 24 -7.687 5.580 0.937
194 HD3 ARG 24 HD1 ARG 24 -9.256 4.957 1.439
195 HE ARG 24 HE ARG 24 -7.225 5.998 3.324
196 HH11 ARG 24 HH11 ARG 24 -10.538 5.536 2.297
197 HH12 ARG 24 HH12 ARG 24 -11.221 6.487 3.578
198 HH21 ARG 24 HH21 ARG 24 -8.105 7.297 5.001
199 HH22 ARG 24 HH22 ARG 24 -9.827 7.508 5.115
200 H ILE 25 HN ILE 25 -6.513 0.807 -1.375
201 HA ILE 25 HA ILE 25 -8.657 0.158 -3.058
202 HB ILE 25 HB ILE 25 -5.730 -0.551 -3.198
203 HG12 ILE 25 HG12 ILE 25 -6.191 1.800 -3.454
204 HG13 ILE 25 HG11 ILE 25 -5.710 1.136 -5.004
205 HG21 ILE 25 HG21 ILE 25 -6.900 -2.246 -4.421
206 HG22 ILE 25 HG22 ILE 25 -6.115 -1.136 -5.546
207 HG23 ILE 25 HG23 ILE 25 -7.849 -1.022 -5.263
208 HD11 ILE 25 HD11 ILE 25 -8.059 1.076 -5.692
209 HD12 ILE 25 HD12 ILE 25 -7.540 2.704 -5.259
210 HD13 ILE 25 HD13 ILE 25 -8.525 1.765 -4.137
211 H HIS 26 HN HIS 26 -6.458 -1.907 -1.174
212 HA HIS 26 HA HIS 26 -7.680 -4.356 -1.892
213 HB2 HIS 26 HB2 HIS 26 -5.945 -3.540 0.424
214 HB3 HIS 26 HB1 HIS 26 -6.632 -5.154 0.324
215 HD1 HIS 26 HD1 HIS 26 -6.121 -5.681 -2.744
216 HD2 HIS 26 HD2 HIS 26 -3.372 -4.091 -0.048
217 HE1 HIS 26 HE1 HIS 26 -3.798 -6.290 -3.619
218 H THR 27 HN THR 27 -8.110 -2.177 0.864
219 HA THR 27 HA THR 27 -10.278 -3.780 1.914
220 HB THR 27 HB THR 27 -9.504 -1.024 2.867
221 HG1 THR 27 HG1 THR 27 -7.572 -2.134 2.884
222 HG21 THR 27 HG21 THR 27 -10.252 -1.895 5.033
223 HG22 THR 27 HG22 THR 27 -10.592 -3.459 4.291
224 HG23 THR 27 HG23 THR 27 -11.528 -2.038 3.824
225 H GLY 28 HN GLY 28 -10.865 -3.090 -0.629
226 HA2 GLY 28 HA2 GLY 28 -12.314 -0.605 -0.790
227 HA3 GLY 28 HA1 GLY 28 -12.205 -1.838 -2.036
228 H GLU 29 HN GLU 29 -13.109 -3.056 0.987
229 HA GLU 29 HA GLU 29 -15.683 -3.839 0.209
230 HB2 GLU 29 HB2 GLU 29 -14.478 -3.558 2.959
231 HB3 GLU 29 HB1 GLU 29 -15.995 -4.377 2.614
232 HG2 GLU 29 HG2 GLU 29 -13.306 -5.165 1.519
233 HG3 GLU 29 HG1 GLU 29 -14.131 -5.930 2.870
234 H LYS 30 HN LYS 30 -14.533 -1.203 2.239
235 HA LYS 30 HA LYS 30 -16.662 0.506 1.398
236 HB2 LYS 30 HB2 LYS 30 -17.807 -0.764 3.181
237 HB3 LYS 30 HB1 LYS 30 -16.543 -0.304 4.314
238 HG2 LYS 30 HG2 LYS 30 -17.176 2.020 4.126
239 HG3 LYS 30 HG1 LYS 30 -18.389 1.616 2.908
240 HD2 LYS 30 HD2 LYS 30 -19.620 0.304 4.523
241 HD3 LYS 30 HD1 LYS 30 -18.371 0.580 5.739
242 HE2 LYS 30 HE2 LYS 30 -18.844 2.970 5.695
243 HE3 LYS 30 HE1 LYS 30 -20.073 2.712 4.456
244 HZ1 LYS 30 HZ1 LYS 30 -20.157 1.489 7.157
245 HZ2 LYS 30 HZ2 LYS 30 -21.386 1.467 5.983
246 HZ3 LYS 30 HZ3 LYS 30 -20.958 2.926 6.742