Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16405 | 2a2b RC | 6737 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 -20.466 4.490 10.352
2 HA ALA 1 HA ALA 1 -18.359 5.043 12.325
3 1HB ALA 1 1HB ALA 1 -20.399 4.593 13.914
4 2HB ALA 1 2HB ALA 1 -20.268 6.162 13.083
5 3HB ALA 1 3HB ALA 1 -21.372 4.913 12.458
6 H ARG 2 H ARG 2 -17.547 3.337 13.570
7 HA ARG 2 HA ARG 2 -18.796 0.779 13.284
8 2HB ARG 2 2HB ARG 2 -16.456 -0.232 12.684
9 2HG ARG 2 2HG ARG 2 -18.004 1.446 10.655
10 2HD ARG 2 2HD ARG 2 -16.285 -1.000 10.079
11 HE ARG 2 HE ARG 2 -18.038 0.588 8.493
12 1HH1 ARG 2 2HH2 ARG 2 -14.762 -0.691 8.362
13 2HH1 ARG 2 1HH2 ARG 2 -14.722 -0.762 6.632
14 1HH2 ARG 2 2HH1 ARG 2 -17.985 0.495 6.210
15 2HH2 ARG 2 1HH1 ARG 2 -16.568 -0.083 5.399
16 H SER 3 H SER 3 -17.110 -0.911 14.528
17 HA SER 3 HA SER 3 -15.493 0.215 16.488
18 2HB SER 3 2HB SER 3 -17.142 -0.660 18.414
19 HG SER 3 HG SER 3 -17.940 1.543 18.604
20 H TYR 4 H TYR 4 -15.119 -1.815 14.641
21 HA TYR 4 HA TYR 4 -15.760 -4.370 15.747
22 2HB TYR 4 2HB TYR 4 -13.755 -4.745 13.890
23 HD1 TYR 4 1HD TYR 4 -15.263 -6.601 13.434
24 HD2 TYR 4 2HD TYR 4 -16.416 -2.578 12.548
25 HE1 TYR 4 1HE TYR 4 -17.193 -7.458 12.018
26 HE2 TYR 4 2HE TYR 4 -18.343 -3.449 11.135
27 HH TYR 4 HH TYR 4 -19.224 -5.213 10.191
28 H GLY 5 H GLY 5 -13.217 -1.995 16.195
29 1HA GLY 5 1HA GLY 5 -11.986 -3.622 18.216
30 2HA GLY 5 2HA GLY 5 -10.991 -3.458 16.782
31 H ASN 6 H ASN 6 -9.412 -1.976 17.257
32 HA ASN 6 HA ASN 6 -10.253 0.387 18.717
33 2HB ASN 6 2HB ASN 6 -7.940 0.667 19.336
34 1HD2 ASN 6 1HD2 ASN 6 -7.197 -2.492 18.282
35 2HD2 ASN 6 2HD2 ASN 6 -7.581 -3.371 19.725
36 H GLY 7 H GLY 7 -11.294 1.124 16.577
37 1HA GLY 7 1HA GLY 7 -10.428 3.164 15.316
38 2HA GLY 7 2HA GLY 7 -9.303 2.028 14.598
39 H VAL 8 H VAL 8 -9.932 0.838 12.819
40 HA VAL 8 HA VAL 8 -11.215 -0.007 11.227
41 HB VAL 8 HB VAL 8 -13.557 0.388 13.096
42 1HG1 VAL 8 1HG1 VAL 8 -13.301 -0.688 10.436
43 2HG1 VAL 8 2HG1 VAL 8 -13.786 -1.980 11.560
44 3HG1 VAL 8 3HG1 VAL 8 -14.759 -0.496 11.438
45 1HG2 VAL 8 1HG2 VAL 8 -11.273 -1.108 13.631
46 2HG2 VAL 8 2HG2 VAL 8 -12.871 -1.307 14.391
47 3HG2 VAL 8 3HG2 VAL 8 -12.424 -2.303 12.986
48 H TYR 9 H TYR 9 -13.313 2.500 12.829
49 HA TYR 9 HA TYR 9 -13.832 3.639 10.212
50 2HB TYR 9 2HB TYR 9 -15.676 3.335 11.838
51 HD1 TYR 9 1HD TYR 9 -15.218 2.138 13.895
52 HD2 TYR 9 2HD TYR 9 -14.241 6.288 13.530
53 HE1 TYR 9 1HE TYR 9 -14.882 2.287 16.410
54 HE2 TYR 9 2HE TYR 9 -13.909 6.423 16.046
55 HH TYR 9 HH TYR 9 -15.086 4.364 18.132
56 H CYS 10 H CYS 10 -11.078 3.821 11.145
57 HA CYS 10 HA CYS 10 -9.466 5.312 11.181
58 2HB CYS 10 2HB CYS 10 -9.900 7.681 10.583
59 H ASN 11 H ASN 11 -8.724 7.402 12.518
60 HA ASN 11 HA ASN 11 -9.402 6.840 15.178
61 2HB ASN 11 2HB ASN 11 -7.885 9.226 13.994
62 1HD2 ASN 11 1HD2 ASN 11 -7.807 10.770 15.431
63 2HD2 ASN 11 2HD2 ASN 11 -7.613 10.603 17.144
64 H ASN 12 H ASN 12 -9.553 9.976 13.310
65 HA ASN 12 HA ASN 12 -12.238 10.405 14.051
66 2HB ASN 12 2HB ASN 12 -11.641 12.631 15.287
67 1HD2 ASN 12 1HD2 ASN 12 -9.597 10.409 16.911
68 2HD2 ASN 12 2HD2 ASN 12 -10.738 9.758 18.039
69 H LYS 13 H LYS 13 -9.241 12.442 13.580
70 HA LYS 13 HA LYS 13 -10.574 13.734 11.326
71 2HB LYS 13 2HB LYS 13 -9.675 15.113 13.208
72 2HG LYS 13 2HG LYS 13 -6.907 14.863 12.145
73 2HD LYS 13 2HD LYS 13 -7.373 14.580 15.040
74 2HE LYS 13 2HE LYS 13 -6.240 17.106 14.019
75 1HZ LYS 13 1HZ LYS 13 -5.191 14.856 15.589
76 2HZ LYS 13 2HZ LYS 13 -4.394 16.260 15.341
77 3HZ LYS 13 3HZ LYS 13 -5.794 16.253 16.182
78 H LYS 14 H LYS 14 -7.781 11.714 12.256
79 HA LYS 14 HA LYS 14 -6.632 11.889 9.629
80 2HB LYS 14 2HB LYS 14 -4.933 10.416 10.504
81 2HG LYS 14 2HG LYS 14 -5.861 12.787 12.044
82 2HD LYS 14 2HD LYS 14 -4.018 12.418 13.767
83 2HE LYS 14 2HE LYS 14 -6.480 10.622 13.719
84 1HZ LYS 14 1HZ LYS 14 -4.446 10.979 15.793
85 2HZ LYS 14 2HZ LYS 14 -5.979 10.555 16.164
86 3HZ LYS 14 3HZ LYS 14 -5.069 9.584 15.218
87 H CYS 15 H CYS 15 -5.916 8.935 9.704
88 HA CYS 15 HA CYS 15 -8.177 7.372 9.615
89 2HB CYS 15 2HB CYS 15 -7.980 7.316 6.881
90 H TRP 16 H TRP 16 -6.943 5.618 10.253
91 HA TRP 16 HA TRP 16 -4.402 5.170 8.893
92 2HB TRP 16 2HB TRP 16 -4.154 5.116 11.218
93 HD1 TRP 16 HD TRP 16 -7.102 2.587 10.683
94 HE1 TRP 16 1HE TRP 16 -8.638 2.502 12.828
95 HE3 TRP 16 3HE TRP 16 -4.340 5.853 13.431
96 HZ2 TRP 16 2HZ TRP 16 -8.527 3.782 15.375
97 HZ3 TRP 16 3HZ TRP 16 -5.124 6.382 15.739
98 HH2 TRP 16 HH TRP 16 -7.139 5.405 16.717
99 H VAL 17 H VAL 17 -3.931 2.877 8.183
100 HA VAL 17 HA VAL 17 -6.350 1.379 7.527
101 HB VAL 17 HB VAL 17 -5.281 1.025 5.226
102 1HG1 VAL 17 1HG1 VAL 17 -6.149 3.552 4.649
103 2HG1 VAL 17 2HG1 VAL 17 -7.214 2.151 4.919
104 3HG1 VAL 17 3HG1 VAL 17 -6.884 3.288 6.249
105 1HG2 VAL 17 1HG2 VAL 17 -3.718 3.408 6.222
106 2HG2 VAL 17 2HG2 VAL 17 -3.135 1.944 5.392
107 3HG2 VAL 17 3HG2 VAL 17 -4.046 3.178 4.487
108 H ASN 18 H ASN 18 -6.091 -0.811 7.784
109 HA ASN 18 HA ASN 18 -5.176 -2.649 8.494
110 2HB ASN 18 2HB ASN 18 -2.512 -2.371 7.256
111 1HD2 ASN 18 1HD2 ASN 18 -3.645 -3.565 4.782
112 2HD2 ASN 18 2HD2 ASN 18 -4.078 -5.194 5.178
113 H ARG 19 H ARG 19 -4.851 -2.201 10.754
114 HA ARG 19 HA ARG 19 -2.605 -0.694 11.574
115 2HB ARG 19 2HB ARG 19 -3.383 -1.536 13.906
116 2HG ARG 19 2HG ARG 19 -5.868 -0.433 12.869
117 2HD ARG 19 2HD ARG 19 -5.211 1.496 14.250
118 HE ARG 19 HE ARG 19 -5.276 -1.149 15.289
119 1HH1 ARG 19 2HH2 ARG 19 -4.073 2.025 16.220
120 2HH1 ARG 19 1HH2 ARG 19 -4.214 1.721 17.919
121 1HH2 ARG 19 2HH1 ARG 19 -5.463 -1.550 17.531
122 2HH2 ARG 19 1HH1 ARG 19 -5.010 -0.326 18.670
123 H GLY 20 H GLY 20 -3.653 -4.160 12.005
124 1HA GLY 20 1HA GLY 20 -1.365 -5.120 13.232
125 2HA GLY 20 2HA GLY 20 -2.472 -6.055 12.246
126 H GLU 21 H GLU 21 -2.218 -5.239 9.691
127 HA GLU 21 HA GLU 21 0.072 -6.395 8.836
128 2HB GLU 21 2HB GLU 21 -1.458 -4.205 7.366
129 2HG GLU 21 2HG GLU 21 -0.784 -6.239 5.588
130 HE2 GLU 21 HE2 GLU 21 1.671 -3.171 5.913
131 H ALA 22 H ALA 22 -0.603 -2.823 9.030
132 HA ALA 22 HA ALA 22 1.913 -1.993 8.223
133 1HB ALA 22 1HB ALA 22 1.251 0.147 9.097
134 2HB ALA 22 2HB ALA 22 -0.221 -0.639 8.478
135 3HB ALA 22 3HB ALA 22 0.100 -0.603 10.228
136 H THR 23 H THR 23 0.608 -2.693 11.530
137 HA THR 23 HA THR 23 2.870 -1.962 12.959
138 HB THR 23 HB THR 23 0.447 -3.703 13.328
139 HG1 THR 23 1HG THR 23 1.928 -1.698 14.880
140 1HG2 THR 23 1HG2 THR 23 3.036 -4.076 14.794
141 2HG2 THR 23 2HG2 THR 23 1.597 -3.842 15.815
142 3HG2 THR 23 3HG2 THR 23 1.652 -5.185 14.648
143 H GLN 24 H GLN 24 1.951 -5.364 12.083
144 HA GLN 24 HA GLN 24 4.335 -6.446 12.820
145 2HB GLN 24 2HB GLN 24 2.282 -7.733 12.256
146 2HG GLN 24 2HG GLN 24 2.875 -6.587 9.553
147 1HE2 GLN 24 1HE2 GLN 24 1.812 -7.610 7.700
148 2HE2 GLN 24 2HE2 GLN 24 1.934 -9.325 7.488
149 H SER 25 H SER 25 3.557 -4.470 10.029
150 HA SER 25 HA SER 25 5.438 -5.352 8.245
151 2HB SER 25 2HB SER 25 5.076 -2.403 8.371
152 HG SER 25 HG SER 25 4.162 -2.930 6.192
153 H ILE 26 H ILE 26 7.655 -4.878 7.882
154 HA ILE 26 HA ILE 26 9.229 -4.439 10.111
155 HB ILE 26 HB ILE 26 11.050 -4.094 8.420
156 2HG1 ILE 26 2HG1 ILE 26 8.720 -3.786 6.663
157 1HG2 ILE 26 1HG2 ILE 26 10.215 -6.314 9.355
158 2HG2 ILE 26 2HG2 ILE 26 9.365 -6.522 7.805
159 3HG2 ILE 26 3HG2 ILE 26 11.138 -6.370 7.835
160 1HD1 ILE 26 1HD1 ILE 26 10.192 -2.001 6.497
161 2HD1 ILE 26 2HD1 ILE 26 11.620 -3.013 6.819
162 3HD1 ILE 26 3HD1 ILE 26 10.857 -3.036 5.210
163 H ILE 27 H ILE 27 8.075 -2.163 7.560
164 HA ILE 27 HA ILE 27 9.541 0.039 8.301
165 HB ILE 27 HB ILE 27 7.991 -0.356 6.313
166 2HG1 ILE 27 2HG1 ILE 27 9.106 1.915 7.410
167 1HG2 ILE 27 1HG2 ILE 27 5.723 0.772 6.660
168 2HG2 ILE 27 2HG2 ILE 27 5.920 -0.883 7.283
169 3HG2 ILE 27 3HG2 ILE 27 5.987 0.502 8.399
170 1HD1 ILE 27 1HD1 ILE 27 9.215 2.595 5.207
171 2HD1 ILE 27 2HD1 ILE 27 8.700 0.916 4.922
172 3HD1 ILE 27 3HD1 ILE 27 7.501 2.231 4.900
173 H GLY 28 H GLY 28 6.629 -1.407 9.786
174 1HA GLY 28 1HA GLY 28 5.645 -1.035 11.772
175 2HA GLY 28 2HA GLY 28 7.125 -0.255 12.293
176 H GLY 29 H GLY 29 3.875 0.209 10.987
177 1HA GLY 29 1HA GLY 29 4.121 3.006 10.460
178 2HA GLY 29 2HA GLY 29 2.649 2.060 10.564
179 H MET 30 H MET 30 2.516 1.066 13.094
180 HA MET 30 HA MET 30 1.728 3.248 14.565
181 2HB MET 30 2HB MET 30 2.057 1.338 16.492
182 2HG MET 30 2HG MET 30 -0.002 0.214 14.916
183 1HE MET 30 1HE MET 30 -0.010 -0.593 17.465
184 2HE MET 30 2HE MET 30 -1.416 0.073 18.332
185 3HE MET 30 3HE MET 30 -1.590 -0.493 16.653
186 H ILE 31 H ILE 31 4.698 1.184 14.915
187 HA ILE 31 HA ILE 31 5.766 2.495 17.096
188 HB ILE 31 HB ILE 31 6.570 0.372 16.329
189 2HG1 ILE 31 2HG1 ILE 31 8.117 1.722 17.631
190 1HG2 ILE 31 1HG2 ILE 31 8.016 1.528 13.987
191 2HG2 ILE 31 2HG2 ILE 31 7.415 -0.123 14.267
192 3HG2 ILE 31 3HG2 ILE 31 6.281 1.173 13.820
193 1HD1 ILE 31 1HD1 ILE 31 9.359 0.214 15.290
194 2HD1 ILE 31 2HD1 ILE 31 10.304 0.819 16.672
195 3HD1 ILE 31 3HD1 ILE 31 9.034 -0.402 16.929
196 H SER 32 H SER 32 6.369 3.094 13.563
197 HA SER 32 HA SER 32 8.130 5.075 13.717
198 2HB SER 32 2HB SER 32 5.676 4.948 11.909
199 HG SER 32 HG SER 32 7.454 6.931 12.111
200 H GLY 33 H GLY 33 4.645 5.236 14.512
201 1HA GLY 33 1HA GLY 33 4.502 8.078 14.701
202 2HA GLY 33 2HA GLY 33 3.346 6.907 15.302
203 H TRP 34 H TRP 34 5.069 5.362 17.025
204 HA TRP 34 HA TRP 34 4.913 6.862 19.355
205 2HB TRP 34 2HB TRP 34 6.700 4.475 18.875
206 HD1 TRP 34 HD TRP 34 4.446 6.201 21.577
207 HE1 TRP 34 1HE TRP 34 5.376 5.709 23.997
208 HE3 TRP 34 3HE TRP 34 8.258 3.191 20.071
209 HZ2 TRP 34 2HZ TRP 34 7.552 4.150 24.988
210 HZ3 TRP 34 3HZ TRP 34 9.738 2.225 21.829
211 HH2 TRP 34 HH TRP 34 9.434 2.661 24.215
212 H ALA 35 H ALA 35 7.801 5.916 17.347
213 HA ALA 35 HA ALA 35 9.637 7.411 18.821
214 1HB ALA 35 1HB ALA 35 11.129 6.961 16.993
215 2HB ALA 35 2HB ALA 35 10.064 5.543 17.150
216 3HB ALA 35 3HB ALA 35 9.774 6.736 15.860
217 H SER 36 H SER 36 7.447 8.232 16.101
218 HA SER 36 HA SER 36 8.627 10.681 15.527
219 2HB SER 36 2HB SER 36 5.952 11.003 14.855
220 HG SER 36 HG SER 36 6.696 10.679 12.838
221 H GLY 37 H GLY 37 6.238 9.602 17.951
222 1HA GLY 37 1HA GLY 37 5.300 12.178 18.691
223 2HA GLY 37 2HA GLY 37 5.145 10.686 19.597
224 H LEU 38 H LEU 38 7.631 9.867 20.272
225 HA LEU 38 HA LEU 38 8.357 11.606 22.311
226 2HB LEU 38 2HB LEU 38 8.761 9.272 22.481
227 HG LEU 38 HG LEU 38 9.448 9.080 19.911
228 1HD1 LEU 38 1HD1 LEU 38 11.627 9.281 19.370
229 2HD1 LEU 38 2HD1 LEU 38 11.648 10.402 20.752
230 3HD1 LEU 38 3HD1 LEU 38 12.191 8.720 20.962
231 1HD2 LEU 38 1HD2 LEU 38 10.669 6.899 20.601
232 2HD2 LEU 38 2HD2 LEU 38 10.225 7.371 22.258
233 3HD2 LEU 38 3HD2 LEU 38 8.957 7.114 21.036
234 H ALA 39 H ALA 39 9.856 11.002 19.071
235 HA ALA 39 HA ALA 39 11.905 12.910 19.471
236 1HB ALA 39 1HB ALA 39 12.600 12.255 17.373
237 2HB ALA 39 2HB ALA 39 11.565 10.864 17.778
238 3HB ALA 39 3HB ALA 39 10.941 12.162 16.732
239 H GLY 40 H GLY 40 8.550 12.998 18.270
240 1HA GLY 40 1HA GLY 40 8.780 15.634 17.144
241 2HA GLY 40 2HA GLY 40 7.323 14.688 17.379
242 H MET 41 H MET 41 9.893 16.210 19.467
243 HA MET 41 HA MET 41 9.763 17.265 21.372
244 2HB MET 41 2HB MET 41 7.113 18.531 20.750
245 2HG MET 41 2HG MET 41 9.175 20.439 20.640
246 1HE MET 41 1HE MET 41 6.992 22.574 22.465
247 2HE MET 41 2HE MET 41 8.056 22.177 21.094
248 3HE MET 41 3HE MET 41 6.367 21.615 21.101
Start of MODEL 2
1 1H ALA 1 1H ALA 1 -16.637 11.122 13.053
2 HA ALA 1 HA ALA 1 -16.453 8.782 14.168
3 1HB ALA 1 1HB ALA 1 -19.176 8.985 13.670
4 2HB ALA 1 2HB ALA 1 -18.599 7.971 12.324
5 3HB ALA 1 3HB ALA 1 -18.292 7.476 14.006
6 H ARG 2 H ARG 2 -14.520 9.493 12.940
7 HA ARG 2 HA ARG 2 -14.432 9.709 10.238
8 2HB ARG 2 2HB ARG 2 -11.990 8.470 10.940
9 2HG ARG 2 2HG ARG 2 -13.004 11.108 10.311
10 2HD ARG 2 2HD ARG 2 -10.717 11.957 11.683
11 HE ARG 2 HE ARG 2 -13.268 12.423 13.042
12 1HH1 ARG 2 2HH2 ARG 2 -11.319 13.233 10.226
13 2HH1 ARG 2 1HH2 ARG 2 -12.116 14.746 9.950
14 1HH2 ARG 2 2HH1 ARG 2 -14.320 14.420 12.679
15 2HH2 ARG 2 1HH1 ARG 2 -13.835 15.426 11.355
16 H SER 3 H SER 3 -12.614 7.866 9.148
17 HA SER 3 HA SER 3 -13.254 5.217 9.708
18 2HB SER 3 2HB SER 3 -15.383 5.347 8.764
19 HG SER 3 HG SER 3 -15.793 7.261 7.862
20 H TYR 4 H TYR 4 -13.071 6.708 6.419
21 HA TYR 4 HA TYR 4 -11.588 6.342 4.784
22 2HB TYR 4 2HB TYR 4 -9.236 7.138 5.608
23 HD1 TYR 4 1HD TYR 4 -11.280 8.947 8.002
24 HD2 TYR 4 2HD TYR 4 -10.134 8.734 3.885
25 HE1 TYR 4 1HE TYR 4 -12.117 11.321 7.638
26 HE2 TYR 4 2HE TYR 4 -10.975 11.108 3.535
27 HH TYR 4 HH TYR 4 -12.889 12.703 5.869
28 H GLY 5 H GLY 5 -12.272 3.873 6.064
29 1HA GLY 5 1HA GLY 5 -10.981 1.920 5.110
30 2HA GLY 5 2HA GLY 5 -9.675 2.467 6.142
31 H ASN 6 H ASN 6 -10.028 2.530 8.526
32 HA ASN 6 HA ASN 6 -12.288 1.613 9.742
33 2HB ASN 6 2HB ASN 6 -11.944 -0.561 8.634
34 1HD2 ASN 6 1HD2 ASN 6 -9.853 -1.745 10.898
35 2HD2 ASN 6 2HD2 ASN 6 -8.412 -1.931 9.953
36 H GLY 7 H GLY 7 -8.706 1.602 9.524
37 1HA GLY 7 1HA GLY 7 -8.540 2.050 12.443
38 2HA GLY 7 2HA GLY 7 -7.292 1.308 11.464
39 H VAL 8 H VAL 8 -9.248 4.367 11.650
40 HA VAL 8 HA VAL 8 -6.785 5.795 10.916
41 HB VAL 8 HB VAL 8 -9.637 6.194 10.040
42 1HG1 VAL 8 1HG1 VAL 8 -7.400 8.214 9.686
43 2HG1 VAL 8 2HG1 VAL 8 -9.093 8.366 9.156
44 3HG1 VAL 8 3HG1 VAL 8 -8.701 8.357 10.892
45 1HG2 VAL 8 1HG2 VAL 8 -8.928 5.578 7.994
46 2HG2 VAL 8 2HG2 VAL 8 -7.420 6.513 8.126
47 3HG2 VAL 8 3HG2 VAL 8 -7.528 4.892 8.854
48 H TYR 9 H TYR 9 -10.097 6.449 12.279
49 HA TYR 9 HA TYR 9 -9.470 8.612 13.790
50 2HB TYR 9 2HB TYR 9 -11.752 7.773 13.575
51 HD1 TYR 9 1HD TYR 9 -11.026 5.396 16.280
52 HD2 TYR 9 2HD TYR 9 -11.957 5.809 12.125
53 HE1 TYR 9 1HE TYR 9 -11.586 2.919 16.151
54 HE2 TYR 9 2HE TYR 9 -12.515 3.331 12.011
55 HH TYR 9 HH TYR 9 -11.740 1.248 13.388
56 H CYS 10 H CYS 10 -9.001 5.134 14.635
57 HA CYS 10 HA CYS 10 -7.841 4.155 16.217
58 2HB CYS 10 2HB CYS 10 -6.109 5.866 15.234
59 H ASN 11 H ASN 11 -7.596 4.027 18.633
60 HA ASN 11 HA ASN 11 -9.813 5.157 19.877
61 2HB ASN 11 2HB ASN 11 -7.577 4.230 21.632
62 1HD2 ASN 11 1HD2 ASN 11 -8.631 4.240 23.462
63 2HD2 ASN 11 2HD2 ASN 11 -10.219 3.616 23.764
64 H ASN 12 H ASN 12 -8.843 5.930 22.468
65 HA ASN 12 HA ASN 12 -7.623 8.459 21.759
66 2HB ASN 12 2HB ASN 12 -9.609 8.828 23.034
67 1HD2 ASN 12 1HD2 ASN 12 -10.654 6.737 22.835
68 2HD2 ASN 12 2HD2 ASN 12 -10.859 5.734 24.232
69 H LYS 13 H LYS 13 -7.507 5.815 24.265
70 HA LYS 13 HA LYS 13 -4.922 6.732 25.168
71 2HB LYS 13 2HB LYS 13 -6.812 4.545 26.057
72 2HG LYS 13 2HG LYS 13 -4.975 4.736 28.062
73 2HD LYS 13 2HD LYS 13 -3.856 2.673 26.919
74 2HE LYS 13 2HE LYS 13 -5.970 2.773 28.507
75 1HZ LYS 13 1HZ LYS 13 -7.700 1.540 26.950
76 2HZ LYS 13 2HZ LYS 13 -7.763 3.144 27.250
77 3HZ LYS 13 3HZ LYS 13 -7.089 2.599 25.867
78 H LYS 14 H LYS 14 -6.381 3.923 23.431
79 HA LYS 14 HA LYS 14 -3.849 2.650 23.119
80 2HB LYS 14 2HB LYS 14 -5.186 1.165 21.563
81 2HG LYS 14 2HG LYS 14 -6.149 1.697 24.410
82 2HD LYS 14 2HD LYS 14 -6.890 -0.773 24.221
83 2HE LYS 14 2HE LYS 14 -9.015 -0.047 22.815
84 1HZ LYS 14 1HZ LYS 14 -8.824 1.762 24.977
85 2HZ LYS 14 2HZ LYS 14 -9.787 0.455 24.806
86 3HZ LYS 14 3HZ LYS 14 -8.275 0.283 25.397
87 H CYS 15 H CYS 15 -6.121 3.622 20.479
88 HA CYS 15 HA CYS 15 -5.793 4.768 18.626
89 2HB CYS 15 2HB CYS 15 -3.072 5.610 19.634
90 H TRP 16 H TRP 16 -5.739 3.006 17.202
91 HA TRP 16 HA TRP 16 -3.073 1.863 16.715
92 2HB TRP 16 2HB TRP 16 -4.373 0.154 17.687
93 HD1 TRP 16 HD TRP 16 -6.635 0.440 14.533
94 HE1 TRP 16 1HE TRP 16 -9.184 0.312 15.197
95 HE3 TRP 16 3HE TRP 16 -5.864 0.414 19.558
96 HZ2 TRP 16 2HZ TRP 16 -10.563 0.216 17.695
97 HZ3 TRP 16 3HZ TRP 16 -7.866 0.302 21.040
98 HH2 TRP 16 HH TRP 16 -10.153 0.205 20.183
99 H VAL 17 H VAL 17 -2.621 1.373 14.430
100 HA VAL 17 HA VAL 17 -4.246 3.055 12.650
101 HB VAL 17 HB VAL 17 -1.312 2.517 12.889
102 1HG1 VAL 17 1HG1 VAL 17 -1.244 2.024 10.676
103 2HG1 VAL 17 2HG1 VAL 17 -2.832 2.761 10.350
104 3HG1 VAL 17 3HG1 VAL 17 -1.387 3.790 10.499
105 1HG2 VAL 17 1HG2 VAL 17 -2.846 4.633 13.605
106 2HG2 VAL 17 2HG2 VAL 17 -1.129 4.762 13.151
107 3HG2 VAL 17 3HG2 VAL 17 -2.395 5.117 11.952
108 H ASN 18 H ASN 18 -1.904 0.286 12.359
109 HA ASN 18 HA ASN 18 -4.011 -1.214 11.084
110 2HB ASN 18 2HB ASN 18 -1.476 -1.502 9.602
111 1HD2 ASN 18 1HD2 ASN 18 -3.800 0.691 8.379
112 2HD2 ASN 18 2HD2 ASN 18 -4.718 -0.397 7.393
113 H ARG 19 H ARG 19 -3.872 -2.737 12.835
114 HA ARG 19 HA ARG 19 -1.610 -3.535 14.079
115 2HB ARG 19 2HB ARG 19 -3.011 -5.789 14.367
116 2HG ARG 19 2HG ARG 19 -2.949 -3.378 15.733
117 2HD ARG 19 2HD ARG 19 -5.013 -2.614 14.517
118 HE ARG 19 HE ARG 19 -5.926 -5.198 14.734
119 1HH1 ARG 19 2HH2 ARG 19 -7.134 -2.135 15.975
120 2HH1 ARG 19 1HH2 ARG 19 -8.792 -2.634 15.953
121 1HH2 ARG 19 2HH1 ARG 19 -8.115 -5.857 14.705
122 2HH2 ARG 19 1HH1 ARG 19 -9.354 -4.765 15.226
123 H GLY 20 H GLY 20 -3.271 -5.120 11.255
124 1HA GLY 20 1HA GLY 20 -1.779 -7.302 10.796
125 2HA GLY 20 2HA GLY 20 -2.374 -6.264 9.516
126 H GLU 21 H GLU 21 -0.912 -3.976 9.586
127 HA GLU 21 HA GLU 21 1.415 -4.651 8.378
128 2HB GLU 21 2HB GLU 21 1.008 -2.077 9.956
129 2HG GLU 21 2HG GLU 21 2.824 -3.018 7.796
130 HE2 GLU 21 HE2 GLU 21 2.031 0.711 7.565
131 H ALA 22 H ALA 22 0.791 -3.993 11.860
132 HA ALA 22 HA ALA 22 3.402 -3.845 12.739
133 1HB ALA 22 1HB ALA 22 1.099 -5.166 14.218
134 2HB ALA 22 2HB ALA 22 2.480 -4.279 14.907
135 3HB ALA 22 3HB ALA 22 1.226 -3.405 13.995
136 H THR 23 H THR 23 1.251 -6.746 12.375
137 HA THR 23 HA THR 23 3.184 -8.594 13.227
138 HB THR 23 HB THR 23 0.591 -8.662 11.642
139 HG1 THR 23 1HG THR 23 1.668 -9.835 14.110
140 1HG2 THR 23 1HG2 THR 23 0.727 -11.193 11.923
141 2HG2 THR 23 2HG2 THR 23 1.839 -10.551 10.690
142 3HG2 THR 23 3HG2 THR 23 2.456 -11.001 12.298
143 H GLN 24 H GLN 24 2.310 -7.384 9.938
144 HA GLN 24 HA GLN 24 3.817 -9.044 8.461
145 2HB GLN 24 2HB GLN 24 4.041 -7.113 6.844
146 2HG GLN 24 2HG GLN 24 1.548 -6.644 6.708
147 1HE2 GLN 24 1HE2 GLN 24 1.251 -9.625 8.319
148 2HE2 GLN 24 2HE2 GLN 24 1.429 -10.700 6.972
149 H SER 25 H SER 25 4.959 -5.852 9.794
150 HA SER 25 HA SER 25 7.604 -7.053 9.925
151 2HB SER 25 2HB SER 25 8.149 -4.383 9.389
152 HG SER 25 HG SER 25 8.802 -6.645 8.341
153 H ILE 26 H ILE 26 8.742 -6.553 11.825
154 HA ILE 26 HA ILE 26 7.338 -5.683 14.025
155 HB ILE 26 HB ILE 26 9.622 -5.418 15.046
156 2HG1 ILE 26 2HG1 ILE 26 10.380 -5.530 12.220
157 1HG2 ILE 26 1HG2 ILE 26 9.158 -7.524 15.566
158 2HG2 ILE 26 2HG2 ILE 26 8.283 -7.771 14.036
159 3HG2 ILE 26 3HG2 ILE 26 10.043 -8.026 14.105
160 1HD1 ILE 26 1HD1 ILE 26 12.556 -4.706 13.302
161 2HD1 ILE 26 2HD1 ILE 26 11.122 -3.690 13.585
162 3HD1 ILE 26 3HD1 ILE 26 11.701 -4.786 14.861
163 H ILE 27 H ILE 27 9.472 -3.847 11.768
164 HA ILE 27 HA ILE 27 9.564 -1.470 13.130
165 HB ILE 27 HB ILE 27 10.712 -2.254 10.973
166 2HG1 ILE 27 2HG1 ILE 27 10.532 0.156 12.221
167 1HG2 ILE 27 1HG2 ILE 27 8.206 -2.273 9.929
168 2HG2 ILE 27 2HG2 ILE 27 8.772 -0.666 9.414
169 3HG2 ILE 27 3HG2 ILE 27 9.699 -2.120 8.971
170 1HD1 ILE 27 1HD1 ILE 27 11.981 0.200 9.613
171 2HD1 ILE 27 2HD1 ILE 27 12.586 0.517 11.257
172 3HD1 ILE 27 3HD1 ILE 27 12.377 -1.158 10.693
173 H GLY 28 H GLY 28 6.896 -2.962 11.313
174 1HA GLY 28 1HA GLY 28 5.224 -0.961 10.688
175 2HA GLY 28 2HA GLY 28 4.685 -2.466 11.406
176 H GLY 29 H GLY 29 6.123 -2.012 13.996
177 1HA GLY 29 1HA GLY 29 4.061 -0.547 15.317
178 2HA GLY 29 2HA GLY 29 5.487 -1.271 16.033
179 H MET 30 H MET 30 7.621 -0.022 14.781
180 HA MET 30 HA MET 30 7.712 2.385 16.130
181 2HB MET 30 2HB MET 30 9.738 2.642 14.314
182 2HG MET 30 2HG MET 30 10.937 0.763 15.774
183 1HE MET 30 1HE MET 30 11.684 1.070 18.023
184 2HE MET 30 2HE MET 30 12.632 2.571 18.146
185 3HE MET 30 3HE MET 30 11.161 2.364 19.127
186 H ILE 31 H ILE 31 7.327 1.686 12.589
187 HA ILE 31 HA ILE 31 7.277 4.303 11.720
188 HB ILE 31 HB ILE 31 7.512 2.441 10.232
189 2HG1 ILE 31 2HG1 ILE 31 6.638 4.500 9.279
190 1HG2 ILE 31 1HG2 ILE 31 5.750 1.078 11.666
191 2HG2 ILE 31 2HG2 ILE 31 4.633 1.667 10.411
192 3HG2 ILE 31 3HG2 ILE 31 6.058 0.704 9.954
193 1HD1 ILE 31 1HD1 ILE 31 5.319 3.505 7.357
194 2HD1 ILE 31 2HD1 ILE 31 6.844 2.657 7.704
195 3HD1 ILE 31 3HD1 ILE 31 5.298 1.962 8.245
196 H SER 32 H SER 32 4.493 2.170 12.663
197 HA SER 32 HA SER 32 2.469 3.840 12.229
198 2HB SER 32 2HB SER 32 3.005 1.839 14.424
199 HG SER 32 HG SER 32 1.530 2.904 15.603
200 H GLY 33 H GLY 33 4.877 4.007 14.875
201 1HA GLY 33 1HA GLY 33 3.523 5.999 16.400
202 2HA GLY 33 2HA GLY 33 5.197 5.499 16.539
203 H TRP 34 H TRP 34 6.029 6.006 13.797
204 HA TRP 34 HA TRP 34 6.741 8.686 14.012
205 2HB TRP 34 2HB TRP 34 6.672 7.045 11.479
206 HD1 TRP 34 HD TRP 34 8.698 9.816 13.366
207 HE1 TRP 34 1HE TRP 34 9.897 11.412 11.641
208 HE3 TRP 34 3HE TRP 34 7.203 7.306 9.204
209 HZ2 TRP 34 2HZ TRP 34 10.083 11.445 8.793
210 HZ3 TRP 34 3HZ TRP 34 7.937 8.187 6.991
211 HH2 TRP 34 HH TRP 34 9.328 10.181 6.746
212 H ALA 35 H ALA 35 4.380 7.058 11.763
213 HA ALA 35 HA ALA 35 3.375 9.408 10.677
214 1HB ALA 35 1HB ALA 35 3.113 7.005 9.871
215 2HB ALA 35 2HB ALA 35 1.847 6.816 11.107
216 3HB ALA 35 3HB ALA 35 1.641 8.004 9.798
217 H SER 36 H SER 36 2.534 7.585 13.655
218 HA SER 36 HA SER 36 0.174 8.864 14.210
219 2HB SER 36 2HB SER 36 1.433 8.398 16.701
220 HG SER 36 HG SER 36 0.302 6.104 15.783
221 H GLY 37 H GLY 37 3.584 9.825 14.781
222 1HA GLY 37 1HA GLY 37 2.998 12.048 16.460
223 2HA GLY 37 2HA GLY 37 4.504 11.701 15.633
224 H LEU 38 H LEU 38 3.788 11.669 12.931
225 HA LEU 38 HA LEU 38 3.746 14.374 12.325
226 2HB LEU 38 2HB LEU 38 3.528 13.668 10.031
227 HG LEU 38 HG LEU 38 5.323 12.024 11.770
228 1HD1 LEU 38 1HD1 LEU 38 5.174 10.273 10.375
229 2HD1 LEU 38 2HD1 LEU 38 4.406 11.229 9.084
230 3HD1 LEU 38 3HD1 LEU 38 6.173 11.274 9.293
231 1HD2 LEU 38 1HD2 LEU 38 5.496 14.405 10.145
232 2HD2 LEU 38 2HD2 LEU 38 6.652 13.745 11.324
233 3HD2 LEU 38 3HD2 LEU 38 6.705 13.206 9.629
234 H ALA 39 H ALA 39 1.097 11.902 12.182
235 HA ALA 39 HA ALA 39 -0.854 13.715 11.302
236 1HB ALA 39 1HB ALA 39 -2.032 11.620 12.850
237 2HB ALA 39 2HB ALA 39 -1.900 11.742 11.080
238 3HB ALA 39 3HB ALA 39 -0.615 10.940 12.015
239 H GLY 40 H GLY 40 0.630 13.073 14.436
240 1HA GLY 40 1HA GLY 40 -1.453 14.071 16.076
241 2HA GLY 40 2HA GLY 40 0.236 13.879 16.501
242 H MET 41 H MET 41 -2.002 16.007 14.601
243 HA MET 41 HA MET 41 -0.213 18.089 14.304
244 2HB MET 41 2HB MET 41 -3.005 18.970 14.642
245 2HG MET 41 2HG MET 41 -0.963 18.775 12.420
246 1HE MET 41 1HE MET 41 -3.304 20.490 9.628
247 2HE MET 41 2HE MET 41 -3.123 21.393 11.151
248 3HE MET 41 3HE MET 41 -1.713 20.589 10.420
Start of MODEL 3
1 1H ALA 1 1H ALA 1 -19.450 6.324 14.910
2 HA ALA 1 HA ALA 1 -20.687 5.027 13.040
3 1HB ALA 1 1HB ALA 1 -19.415 4.591 11.242
4 2HB ALA 1 2HB ALA 1 -18.067 5.485 11.987
5 3HB ALA 1 3HB ALA 1 -18.238 3.735 12.269
6 H ARG 2 H ARG 2 -17.526 4.282 14.684
7 HA ARG 2 HA ARG 2 -19.008 2.228 16.122
8 2HB ARG 2 2HB ARG 2 -16.386 1.408 16.340
9 2HG ARG 2 2HG ARG 2 -16.903 -0.109 14.356
10 2HD ARG 2 2HD ARG 2 -18.878 0.299 16.630
11 HE ARG 2 HE ARG 2 -19.239 -1.450 14.289
12 1HH1 ARG 2 2HH2 ARG 2 -20.008 -0.919 17.682
13 2HH1 ARG 2 1HH2 ARG 2 -21.429 -1.909 17.646
14 1HH2 ARG 2 2HH1 ARG 2 -21.113 -2.757 14.242
15 2HH2 ARG 2 1HH1 ARG 2 -22.062 -2.961 15.677
16 H SER 3 H SER 3 -17.176 1.570 18.114
17 HA SER 3 HA SER 3 -15.955 3.838 19.228
18 2HB SER 3 2HB SER 3 -17.622 3.525 21.360
19 HG SER 3 HG SER 3 -18.926 5.284 19.853
20 H TYR 4 H TYR 4 -15.025 1.288 18.574
21 HA TYR 4 HA TYR 4 -15.221 -0.524 20.749
22 2HB TYR 4 2HB TYR 4 -12.897 -1.106 19.324
23 HD1 TYR 4 1HD TYR 4 -15.617 -0.838 16.929
24 HD2 TYR 4 2HD TYR 4 -13.981 -3.245 20.066
25 HE1 TYR 4 1HE TYR 4 -17.017 -2.814 16.154
26 HE2 TYR 4 2HE TYR 4 -15.386 -5.212 19.278
27 HH TYR 4 HH TYR 4 -17.217 -5.041 16.297
28 H GLY 5 H GLY 5 -12.146 0.890 19.484
29 1HA GLY 5 1HA GLY 5 -11.348 2.414 21.604
30 2HA GLY 5 2HA GLY 5 -10.965 0.776 22.098
31 H ASN 6 H ASN 6 -10.463 -0.261 19.367
32 HA ASN 6 HA ASN 6 -7.811 0.823 19.128
33 2HB ASN 6 2HB ASN 6 -9.120 -1.509 17.635
34 1HD2 ASN 6 1HD2 ASN 6 -7.936 -2.261 16.062
35 2HD2 ASN 6 2HD2 ASN 6 -6.240 -2.013 15.807
36 H GLY 7 H GLY 7 -10.034 2.528 18.286
37 1HA GLY 7 1HA GLY 7 -10.254 4.008 16.557
38 2HA GLY 7 2HA GLY 7 -9.251 2.996 15.536
39 H VAL 8 H VAL 8 -10.202 1.034 14.542
40 HA VAL 8 HA VAL 8 -11.800 -0.090 13.505
41 HB VAL 8 HB VAL 8 -13.698 1.128 15.521
42 1HG1 VAL 8 1HG1 VAL 8 -13.916 -1.211 13.615
43 2HG1 VAL 8 2HG1 VAL 8 -14.944 -1.063 15.060
44 3HG1 VAL 8 3HG1 VAL 8 -15.004 0.186 13.794
45 1HG2 VAL 8 1HG2 VAL 8 -11.792 -1.190 15.682
46 2HG2 VAL 8 2HG2 VAL 8 -12.176 0.055 16.895
47 3HG2 VAL 8 3HG2 VAL 8 -13.336 -1.253 16.565
48 H TYR 9 H TYR 9 -13.407 3.017 14.518
49 HA TYR 9 HA TYR 9 -14.321 3.359 11.786
50 2HB TYR 9 2HB TYR 9 -15.841 3.802 13.692
51 HD1 TYR 9 1HD TYR 9 -15.080 3.245 15.925
52 HD2 TYR 9 2HD TYR 9 -13.923 6.931 14.086
53 HE1 TYR 9 1HE TYR 9 -14.266 4.119 18.171
54 HE2 TYR 9 2HE TYR 9 -13.113 7.792 16.337
55 HH TYR 9 HH TYR 9 -13.942 6.337 19.226
56 H CYS 10 H CYS 10 -11.437 3.468 12.155
57 HA CYS 10 HA CYS 10 -9.779 4.683 11.364
58 2HB CYS 10 2HB CYS 10 -10.108 6.750 10.164
59 H ASN 11 H ASN 11 -8.606 6.955 11.888
60 HA ASN 11 HA ASN 11 -8.937 7.254 14.729
61 2HB ASN 11 2HB ASN 11 -6.868 8.965 13.589
62 1HD2 ASN 11 1HD2 ASN 11 -5.493 9.169 15.172
63 2HD2 ASN 11 2HD2 ASN 11 -5.146 8.022 16.422
64 H ASN 12 H ASN 12 -8.051 9.601 12.085
65 HA ASN 12 HA ASN 12 -10.356 11.138 12.395
66 2HB ASN 12 2HB ASN 12 -9.569 12.015 14.462
67 1HD2 ASN 12 1HD2 ASN 12 -8.120 10.588 15.395
68 2HD2 ASN 12 2HD2 ASN 12 -6.405 10.833 15.382
69 H LYS 13 H LYS 13 -6.754 11.406 11.887
70 HA LYS 13 HA LYS 13 -7.121 13.135 9.626
71 2HB LYS 13 2HB LYS 13 -5.245 13.379 11.235
72 2HG LYS 13 2HG LYS 13 -3.538 11.355 10.019
73 2HD LYS 13 2HD LYS 13 -4.478 11.829 12.888
74 2HE LYS 13 2HE LYS 13 -2.876 9.717 11.729
75 1HZ LYS 13 1HZ LYS 13 -1.408 11.843 12.905
76 2HZ LYS 13 2HZ LYS 13 -1.159 10.423 13.672
77 3HZ LYS 13 3HZ LYS 13 -0.870 10.547 12.070
78 H LYS 14 H LYS 14 -6.591 9.677 10.288
79 HA LYS 14 HA LYS 14 -7.243 9.118 7.539
80 2HB LYS 14 2HB LYS 14 -4.873 9.403 7.278
81 2HG LYS 14 2HG LYS 14 -4.552 8.818 9.888
82 2HD LYS 14 2HD LYS 14 -3.294 6.333 8.885
83 2HE LYS 14 2HE LYS 14 -4.407 5.480 11.038
84 1HZ LYS 14 1HZ LYS 14 -3.046 7.643 12.096
85 2HZ LYS 14 2HZ LYS 14 -2.496 6.121 11.878
86 3HZ LYS 14 3HZ LYS 14 -2.291 7.239 10.705
87 H CYS 15 H CYS 15 -7.040 6.480 7.356
88 HA CYS 15 HA CYS 15 -8.559 5.582 9.675
89 2HB CYS 15 2HB CYS 15 -9.168 3.668 8.120
90 H TRP 16 H TRP 16 -7.076 3.270 7.466
91 HA TRP 16 HA TRP 16 -4.700 2.925 9.043
92 2HB TRP 16 2HB TRP 16 -5.185 1.084 10.228
93 HD1 TRP 16 HD TRP 16 -8.886 0.961 9.312
94 HE1 TRP 16 1HE TRP 16 -10.401 2.000 11.207
95 HE3 TRP 16 3HE TRP 16 -5.058 2.918 12.028
96 HZ2 TRP 16 2HZ TRP 16 -9.841 3.490 13.575
97 HZ3 TRP 16 3HZ TRP 16 -5.629 4.150 14.118
98 HH2 TRP 16 HH TRP 16 -7.924 4.450 14.903
99 H VAL 17 H VAL 17 -7.069 1.549 6.668
100 HA VAL 17 HA VAL 17 -6.803 0.709 4.643
101 HB VAL 17 HB VAL 17 -4.363 2.419 4.903
102 1HG1 VAL 17 1HG1 VAL 17 -4.106 1.867 2.332
103 2HG1 VAL 17 2HG1 VAL 17 -3.313 0.862 3.568
104 3HG1 VAL 17 3HG1 VAL 17 -4.830 0.315 2.816
105 1HG2 VAL 17 1HG2 VAL 17 -6.908 3.024 4.275
106 2HG2 VAL 17 2HG2 VAL 17 -5.510 3.905 3.613
107 3HG2 VAL 17 3HG2 VAL 17 -6.299 2.634 2.649
108 H ASN 18 H ASN 18 -3.317 0.530 5.585
109 HA ASN 18 HA ASN 18 -3.689 -2.348 5.798
110 2HB ASN 18 2HB ASN 18 -1.031 -1.603 4.780
111 1HD2 ASN 18 1HD2 ASN 18 -2.079 -2.355 2.050
112 2HD2 ASN 18 2HD2 ASN 18 -2.331 -4.067 2.102
113 H ARG 19 H ARG 19 -3.511 -2.252 8.122
114 HA ARG 19 HA ARG 19 -1.299 -0.799 9.217
115 2HB ARG 19 2HB ARG 19 -3.128 -2.612 10.824
116 2HG ARG 19 2HG ARG 19 -1.166 -0.609 11.409
117 2HD ARG 19 2HD ARG 19 -3.303 0.899 11.044
118 HE ARG 19 HE ARG 19 -5.020 -0.034 12.381
119 1HH1 ARG 19 2HH2 ARG 19 -2.102 0.451 14.285
120 2HH1 ARG 19 1HH2 ARG 19 -2.893 0.176 15.802
121 1HH2 ARG 19 2HH1 ARG 19 -6.063 -0.396 14.380
122 2HH2 ARG 19 1HH1 ARG 19 -5.162 -0.309 15.857
123 H GLY 20 H GLY 20 -2.555 -4.211 9.153
124 1HA GLY 20 1HA GLY 20 -0.774 -5.606 10.566
125 2HA GLY 20 2HA GLY 20 -1.384 -6.156 9.018
126 H GLU 21 H GLU 21 -0.215 -4.710 7.078
127 HA GLU 21 HA GLU 21 2.279 -5.736 6.870
128 2HB GLU 21 2HB GLU 21 2.607 -4.115 5.008
129 2HG GLU 21 2HG GLU 21 -0.335 -4.760 4.909
130 HE2 GLU 21 HE2 GLU 21 0.296 -6.307 2.071
131 H ALA 22 H ALA 22 1.318 -2.436 8.009
132 HA ALA 22 HA ALA 22 3.879 -1.424 8.333
133 1HB ALA 22 1HB ALA 22 1.552 -0.771 10.155
134 2HB ALA 22 2HB ALA 22 2.817 0.311 9.527
135 3HB ALA 22 3HB ALA 22 1.544 -0.294 8.440
136 H THR 23 H THR 23 1.717 -3.127 10.702
137 HA THR 23 HA THR 23 3.480 -3.066 12.845
138 HB THR 23 HB THR 23 1.140 -4.771 11.948
139 HG1 THR 23 1HG THR 23 1.133 -2.555 13.007
140 1HG2 THR 23 1HG2 THR 23 3.191 -5.544 13.943
141 2HG2 THR 23 2HG2 THR 23 1.563 -5.384 14.646
142 3HG2 THR 23 3HG2 THR 23 1.841 -6.502 13.289
143 H GLN 24 H GLN 24 2.880 -5.955 10.728
144 HA GLN 24 HA GLN 24 4.937 -7.426 11.649
145 2HB GLN 24 2HB GLN 24 3.203 -8.220 10.057
146 2HG GLN 24 2HG GLN 24 4.877 -6.758 7.959
147 1HE2 GLN 24 1HE2 GLN 24 5.025 -8.230 6.405
148 2HE2 GLN 24 2HE2 GLN 24 3.708 -9.103 5.695
149 H SER 25 H SER 25 5.013 -4.858 9.120
150 HA SER 25 HA SER 25 7.501 -5.248 8.145
151 2HB SER 25 2HB SER 25 7.406 -2.525 8.163
152 HG SER 25 HG SER 25 7.228 -3.803 6.240
153 H ILE 26 H ILE 26 9.624 -4.855 8.827
154 HA ILE 26 HA ILE 26 10.024 -4.537 11.613
155 HB ILE 26 HB ILE 26 11.862 -4.704 9.233
156 2HG1 ILE 26 2HG1 ILE 26 10.455 -6.693 10.130
157 1HG2 ILE 26 1HG2 ILE 26 12.880 -3.292 11.008
158 2HG2 ILE 26 2HG2 ILE 26 12.693 -4.647 12.146
159 3HG2 ILE 26 3HG2 ILE 26 13.748 -4.820 10.723
160 1HD1 ILE 26 1HD1 ILE 26 12.522 -6.743 8.588
161 2HD1 ILE 26 2HD1 ILE 26 13.471 -7.090 10.053
162 3HD1 ILE 26 3HD1 ILE 26 12.201 -8.220 9.529
163 H ILE 27 H ILE 27 10.487 -2.436 8.713
164 HA ILE 27 HA ILE 27 11.625 -0.304 10.131
165 HB ILE 27 HB ILE 27 10.263 -0.602 7.475
166 2HG1 ILE 27 2HG1 ILE 27 13.044 -0.510 8.510
167 1HG2 ILE 27 1HG2 ILE 27 10.757 1.702 6.932
168 2HG2 ILE 27 2HG2 ILE 27 9.686 1.637 8.352
169 3HG2 ILE 27 3HG2 ILE 27 11.420 1.980 8.561
170 1HD1 ILE 27 1HD1 ILE 27 13.368 -1.980 6.510
171 2HD1 ILE 27 2HD1 ILE 27 12.084 -2.581 7.586
172 3HD1 ILE 27 3HD1 ILE 27 11.659 -1.734 6.079
173 H GLY 28 H GLY 28 8.260 -1.333 9.507
174 1HA GLY 28 1HA GLY 28 6.283 -0.440 10.144
175 2HA GLY 28 2HA GLY 28 7.097 -0.241 11.683
176 H GLY 29 H GLY 29 6.100 1.354 8.663
177 1HA GLY 29 1HA GLY 29 7.280 3.888 9.249
178 2HA GLY 29 2HA GLY 29 6.072 3.525 8.032
179 H MET 30 H MET 30 3.860 2.634 9.321
180 HA MET 30 HA MET 30 2.755 4.926 10.330
181 2HB MET 30 2HB MET 30 1.085 3.032 11.340
182 2HG MET 30 2HG MET 30 1.229 2.863 8.364
183 1HE MET 30 1HE MET 30 -2.478 4.064 8.027
184 2HE MET 30 2HE MET 30 -1.483 5.385 8.683
185 3HE MET 30 3HE MET 30 -0.834 4.332 7.403
186 H ILE 31 H ILE 31 3.915 1.981 12.112
187 HA ILE 31 HA ILE 31 3.244 2.830 14.649
188 HB ILE 31 HB ILE 31 3.867 0.571 14.154
189 2HG1 ILE 31 2HG1 ILE 31 4.159 1.308 16.453
190 1HG2 ILE 31 1HG2 ILE 31 5.831 -0.154 13.247
191 2HG2 ILE 31 2HG2 ILE 31 5.729 1.453 12.489
192 3HG2 ILE 31 3HG2 ILE 31 6.774 1.204 13.908
193 1HD1 ILE 31 1HD1 ILE 31 4.804 -0.990 16.092
194 2HD1 ILE 31 2HD1 ILE 31 6.356 -0.506 15.368
195 3HD1 ILE 31 3HD1 ILE 31 6.071 -0.262 17.108
196 H SER 32 H SER 32 6.388 3.236 12.875
197 HA SER 32 HA SER 32 7.780 4.533 14.747
198 2HB SER 32 2HB SER 32 7.657 5.222 11.778
199 HG SER 32 HG SER 32 9.882 5.510 13.603
200 H GLY 33 H GLY 33 5.097 5.806 12.751
201 1HA GLY 33 1HA GLY 33 5.479 8.545 13.508
202 2HA GLY 33 2HA GLY 33 4.108 7.843 12.671
203 H TRP 34 H TRP 34 3.523 5.748 14.657
204 HA TRP 34 HA TRP 34 1.811 7.202 16.317
205 2HB TRP 34 2HB TRP 34 2.763 4.374 16.768
206 HD1 TRP 34 HD TRP 34 -0.347 6.736 17.065
207 HE1 TRP 34 1HE TRP 34 -1.911 5.952 19.041
208 HE3 TRP 34 3HE TRP 34 2.374 2.617 18.283
209 HZ2 TRP 34 2HZ TRP 34 -1.837 3.747 20.851
210 HZ3 TRP 34 3HZ TRP 34 1.559 1.202 20.166
211 HH2 TRP 34 HH TRP 34 -0.469 1.710 21.434
212 H ALA 35 H ALA 35 4.828 5.310 17.090
213 HA ALA 35 HA ALA 35 4.993 6.176 19.733
214 1HB ALA 35 1HB ALA 35 7.192 5.208 19.677
215 2HB ALA 35 2HB ALA 35 6.163 4.218 18.615
216 3HB ALA 35 3HB ALA 35 7.298 5.394 17.910
217 H SER 36 H SER 36 6.276 7.528 16.650
218 HA SER 36 HA SER 36 7.873 9.455 17.827
219 2HB SER 36 2HB SER 36 6.458 9.349 15.132
220 HG SER 36 HG SER 36 8.511 10.902 14.812
221 H GLY 37 H GLY 37 4.379 9.302 17.110
222 1HA GLY 37 1HA GLY 37 3.834 12.072 17.429
223 2HA GLY 37 2HA GLY 37 2.687 10.748 17.471
224 H LEU 38 H LEU 38 3.298 9.195 19.600
225 HA LEU 38 HA LEU 38 2.494 10.789 21.775
226 2HB LEU 38 2HB LEU 38 1.759 8.541 21.613
227 HG LEU 38 HG LEU 38 4.148 7.764 20.617
228 1HD1 LEU 38 1HD1 LEU 38 5.028 8.087 23.058
229 2HD1 LEU 38 2HD1 LEU 38 4.265 6.503 23.337
230 3HD1 LEU 38 3HD1 LEU 38 5.534 6.674 22.101
231 1HD2 LEU 38 1HD2 LEU 38 2.781 5.580 22.043
232 2HD2 LEU 38 2HD2 LEU 38 1.715 6.616 21.065
233 3HD2 LEU 38 3HD2 LEU 38 3.105 5.803 20.307
234 H ALA 39 H ALA 39 5.618 9.142 20.950
235 HA ALA 39 HA ALA 39 6.950 10.133 23.230
236 1HB ALA 39 1HB ALA 39 8.365 9.406 20.673
237 2HB ALA 39 2HB ALA 39 8.793 9.016 22.356
238 3HB ALA 39 3HB ALA 39 7.461 8.150 21.552
239 H GLY 40 H GLY 40 6.204 11.421 20.012
240 1HA GLY 40 1HA GLY 40 8.053 13.281 19.480
241 2HA GLY 40 2HA GLY 40 6.334 13.573 19.301
242 H MET 41 H MET 41 5.587 13.464 22.113
243 HA MET 41 HA MET 41 5.277 14.891 23.733
244 2HB MET 41 2HB MET 41 8.069 15.771 24.090
245 2HG MET 41 2HG MET 41 6.364 13.737 25.607
246 1HE MET 41 1HE MET 41 8.462 12.195 27.426
247 2HE MET 41 2HE MET 41 7.981 12.268 25.715
248 3HE MET 41 3HE MET 41 9.691 12.468 26.168
Start of MODEL 4
1 1H ALA 1 1H ALA 1 -20.351 11.720 12.715
2 HA ALA 1 HA ALA 1 -19.830 10.728 10.327
3 1HB ALA 1 1HB ALA 1 -17.118 11.257 10.472
4 2HB ALA 1 2HB ALA 1 -18.266 12.055 9.370
5 3HB ALA 1 3HB ALA 1 -17.839 12.821 10.919
6 H ARG 2 H ARG 2 -19.872 8.647 11.002
7 HA ARG 2 HA ARG 2 -19.020 7.948 13.559
8 2HB ARG 2 2HB ARG 2 -19.123 5.552 12.108
9 2HG ARG 2 2HG ARG 2 -20.465 6.511 14.195
10 2HD ARG 2 2HD ARG 2 -21.941 7.574 11.891
11 HE ARG 2 HE ARG 2 -23.932 6.463 13.668
12 1HH1 ARG 2 2HH2 ARG 2 -21.919 5.650 10.899
13 2HH1 ARG 2 1HH2 ARG 2 -23.001 4.433 10.308
14 1HH2 ARG 2 2HH1 ARG 2 -25.360 4.858 12.889
15 2HH2 ARG 2 1HH1 ARG 2 -24.972 3.980 11.448
16 H SER 3 H SER 3 -17.154 6.741 14.255
17 HA SER 3 HA SER 3 -15.267 5.813 12.396
18 2HB SER 3 2HB SER 3 -14.638 8.402 13.874
19 HG SER 3 HG SER 3 -12.523 8.081 13.474
20 H TYR 4 H TYR 4 -15.914 7.058 15.726
21 HA TYR 4 HA TYR 4 -15.131 6.373 17.719
22 2HB TYR 4 2HB TYR 4 -15.691 3.788 17.894
23 HD1 TYR 4 1HD TYR 4 -17.020 5.172 19.552
24 HD2 TYR 4 2HD TYR 4 -18.185 4.744 15.458
25 HE1 TYR 4 1HE TYR 4 -19.376 5.928 20.137
26 HE2 TYR 4 2HE TYR 4 -20.537 5.501 16.056
27 HH TYR 4 HH TYR 4 -21.285 6.694 19.270
28 H GLY 5 H GLY 5 -12.876 6.799 16.204
29 1HA GLY 5 1HA GLY 5 -10.663 6.340 16.447
30 2HA GLY 5 2HA GLY 5 -11.050 4.898 17.364
31 H ASN 6 H ASN 6 -10.682 2.942 16.399
32 HA ASN 6 HA ASN 6 -10.840 2.876 13.502
33 2HB ASN 6 2HB ASN 6 -8.747 1.558 13.378
34 1HD2 ASN 6 1HD2 ASN 6 -8.760 3.644 12.260
35 2HD2 ASN 6 2HD2 ASN 6 -7.768 4.935 12.851
36 H GLY 7 H GLY 7 -12.538 1.401 13.241
37 1HA GLY 7 1HA GLY 7 -12.900 -1.021 13.200
38 2HA GLY 7 2HA GLY 7 -12.453 -1.052 14.895
39 H VAL 8 H VAL 8 -14.950 -0.133 12.535
40 HA VAL 8 HA VAL 8 -17.044 -0.624 14.265
41 HB VAL 8 HB VAL 8 -16.703 1.180 15.619
42 1HG1 VAL 8 1HG1 VAL 8 -14.958 2.479 15.070
43 2HG1 VAL 8 2HG1 VAL 8 -15.222 2.247 13.325
44 3HG1 VAL 8 3HG1 VAL 8 -16.139 3.492 14.206
45 1HG2 VAL 8 1HG2 VAL 8 -18.590 2.383 15.353
46 2HG2 VAL 8 2HG2 VAL 8 -18.111 2.967 13.741
47 3HG2 VAL 8 3HG2 VAL 8 -18.848 1.356 13.922
48 H TYR 9 H TYR 9 -16.795 2.298 12.173
49 HA TYR 9 HA TYR 9 -18.975 1.845 10.658
50 2HB TYR 9 2HB TYR 9 -17.643 3.884 10.475
51 HD1 TYR 9 1HD TYR 9 -15.706 3.905 11.991
52 HD2 TYR 9 2HD TYR 9 -15.452 2.157 8.094
53 HE1 TYR 9 1HE TYR 9 -13.168 3.916 12.143
54 HE2 TYR 9 2HE TYR 9 -12.916 2.174 8.259
55 HH TYR 9 HH TYR 9 -11.279 3.926 10.666
56 H CYS 10 H CYS 10 -15.786 0.263 10.358
57 HA CYS 10 HA CYS 10 -15.140 -1.500 9.219
58 2HB CYS 10 2HB CYS 10 -16.812 -3.033 8.190
59 H ASN 11 H ASN 11 -14.791 -2.249 6.888
60 HA ASN 11 HA ASN 11 -14.862 0.073 5.222
61 2HB ASN 11 2HB ASN 11 -13.780 -2.748 4.702
62 1HD2 ASN 11 1HD2 ASN 11 -12.436 -2.958 2.936
63 2HD2 ASN 11 2HD2 ASN 11 -12.434 -1.855 1.601
64 H ASN 12 H ASN 12 -15.594 -3.464 4.670
65 HA ASN 12 HA ASN 12 -18.155 -2.795 3.619
66 2HB ASN 12 2HB ASN 12 -17.739 -3.850 1.382
67 1HD2 ASN 12 1HD2 ASN 12 -14.624 -2.431 1.734
68 2HD2 ASN 12 2HD2 ASN 12 -14.976 -0.849 1.124
69 H LYS 13 H LYS 13 -15.636 -5.405 3.175
70 HA LYS 13 HA LYS 13 -17.594 -7.358 4.090
71 2HB LYS 13 2HB LYS 13 -14.915 -7.636 2.700
72 2HG LYS 13 2HG LYS 13 -16.148 -10.058 2.447
73 2HD LYS 13 2HD LYS 13 -14.737 -10.588 4.693
74 2HE LYS 13 2HE LYS 13 -14.225 -10.901 2.074
75 1HZ LYS 13 1HZ LYS 13 -13.083 -8.429 2.682
76 2HZ LYS 13 2HZ LYS 13 -11.885 -9.483 2.337
77 3HZ LYS 13 3HZ LYS 13 -13.083 -9.227 1.257
78 H LYS 14 H LYS 14 -14.231 -6.202 4.778
79 HA LYS 14 HA LYS 14 -14.207 -7.766 7.211
80 2HB LYS 14 2HB LYS 14 -11.915 -7.205 7.355
81 2HG LYS 14 2HG LYS 14 -12.783 -7.486 4.445
82 2HD LYS 14 2HD LYS 14 -10.386 -8.360 4.155
83 2HE LYS 14 2HE LYS 14 -9.410 -6.093 3.864
84 1HZ LYS 14 1HZ LYS 14 -11.243 -6.926 2.408
85 2HZ LYS 14 2HZ LYS 14 -12.269 -5.966 3.240
86 3HZ LYS 14 3HZ LYS 14 -11.029 -5.307 2.406
87 H CYS 15 H CYS 15 -12.452 -5.446 8.366
88 HA CYS 15 HA CYS 15 -14.223 -3.309 8.792
89 2HB CYS 15 2HB CYS 15 -13.952 -5.064 11.225
90 H TRP 16 H TRP 16 -11.753 -5.393 10.476
91 HA TRP 16 HA TRP 16 -9.729 -4.950 11.254
92 2HB TRP 16 2HB TRP 16 -9.582 -3.966 8.850
93 HD1 TRP 16 HD TRP 16 -8.973 -1.159 11.526
94 HE1 TRP 16 1HE TRP 16 -9.437 1.218 10.478
95 HE3 TRP 16 3HE TRP 16 -10.241 -2.863 6.906
96 HZ2 TRP 16 2HZ TRP 16 -10.265 2.099 7.892
97 HZ3 TRP 16 3HZ TRP 16 -10.863 -1.179 5.178
98 HH2 TRP 16 HH TRP 16 -10.889 1.227 5.610
99 H VAL 17 H VAL 17 -9.285 -4.241 13.306
100 HA VAL 17 HA VAL 17 -10.641 -1.773 14.148
101 HB VAL 17 HB VAL 17 -11.609 -3.564 15.308
102 1HG1 VAL 17 1HG1 VAL 17 -10.297 -5.308 16.495
103 2HG1 VAL 17 2HG1 VAL 17 -10.054 -5.337 14.732
104 3HG1 VAL 17 3HG1 VAL 17 -8.808 -4.633 15.791
105 1HG2 VAL 17 1HG2 VAL 17 -9.620 -3.001 17.429
106 2HG2 VAL 17 2HG2 VAL 17 -10.329 -1.569 16.643
107 3HG2 VAL 17 3HG2 VAL 17 -11.385 -2.775 17.417
108 H ASN 18 H ASN 18 -7.673 -3.816 14.426
109 HA ASN 18 HA ASN 18 -6.324 -1.490 15.510
110 2HB ASN 18 2HB ASN 18 -4.919 -4.137 15.167
111 1HD2 ASN 18 1HD2 ASN 18 -6.048 -2.850 18.180
112 2HD2 ASN 18 2HD2 ASN 18 -4.565 -2.146 18.735
113 H ARG 19 H ARG 19 -5.225 -0.239 13.993
114 HA ARG 19 HA ARG 19 -4.525 -1.531 11.505
115 2HB ARG 19 2HB ARG 19 -4.000 0.977 10.880
116 2HG ARG 19 2HG ARG 19 -6.883 0.915 11.497
117 2HD ARG 19 2HD ARG 19 -6.958 0.870 8.940
118 HE ARG 19 HE ARG 19 -5.727 2.990 10.556
119 1HH1 ARG 19 2HH2 ARG 19 -6.855 2.073 7.351
120 2HH1 ARG 19 1HH2 ARG 19 -7.065 3.708 6.818
121 1HH2 ARG 19 2HH1 ARG 19 -6.003 5.147 9.852
122 2HH2 ARG 19 1HH1 ARG 19 -6.577 5.468 8.250
123 H GLY 20 H GLY 20 -3.114 0.766 13.958
124 1HA GLY 20 1HA GLY 20 -1.021 0.675 14.893
125 2HA GLY 20 2HA GLY 20 -0.552 -0.589 13.773
126 H GLU 21 H GLU 21 0.961 1.846 14.474
127 HA GLU 21 HA GLU 21 0.666 3.742 12.449
128 2HB GLU 21 2HB GLU 21 1.806 4.247 14.563
129 2HG GLU 21 2HG GLU 21 4.367 3.295 14.419
130 HE2 GLU 21 HE2 GLU 21 4.520 1.545 16.460
131 H ALA 22 H ALA 22 1.807 0.513 12.386
132 HA ALA 22 HA ALA 22 3.927 0.705 10.577
133 1HB ALA 22 1HB ALA 22 3.447 -1.295 11.907
134 2HB ALA 22 2HB ALA 22 1.891 -1.506 11.069
135 3HB ALA 22 3HB ALA 22 3.418 -1.698 10.174
136 H THR 23 H THR 23 0.378 0.131 10.064
137 HA THR 23 HA THR 23 0.702 0.308 7.211
138 HB THR 23 HB THR 23 -0.958 -1.176 8.476
139 HG1 THR 23 1HG THR 23 -1.344 -0.678 6.256
140 1HG2 THR 23 1HG2 THR 23 -1.727 0.640 10.103
141 2HG2 THR 23 2HG2 THR 23 -2.490 1.462 8.721
142 3HG2 THR 23 3HG2 THR 23 -3.054 -0.151 9.219
143 H GLN 24 H GLN 24 -0.846 2.352 9.772
144 HA GLN 24 HA GLN 24 -1.823 4.313 8.275
145 2HB GLN 24 2HB GLN 24 -1.210 5.872 10.199
146 2HG GLN 24 2HG GLN 24 -2.131 3.313 11.462
147 1HE2 GLN 24 1HE2 GLN 24 -4.625 3.944 11.993
148 2HE2 GLN 24 2HE2 GLN 24 -4.784 5.438 12.854
149 H SER 25 H SER 25 1.624 4.155 9.422
150 HA SER 25 HA SER 25 2.303 5.706 7.064
151 2HB SER 25 2HB SER 25 4.133 6.671 8.866
152 HG SER 25 HG SER 25 2.227 7.698 7.429
153 H ILE 26 H ILE 26 4.077 4.862 5.983
154 HA ILE 26 HA ILE 26 5.155 2.416 6.921
155 HB ILE 26 HB ILE 26 6.520 2.536 4.886
156 2HG1 ILE 26 2HG1 ILE 26 5.653 5.373 4.952
157 1HG2 ILE 26 1HG2 ILE 26 4.231 1.637 4.836
158 2HG2 ILE 26 2HG2 ILE 26 3.611 3.255 4.431
159 3HG2 ILE 26 3HG2 ILE 26 4.686 2.404 3.297
160 1HD1 ILE 26 1HD1 ILE 26 7.998 3.896 3.670
161 2HD1 ILE 26 2HD1 ILE 26 7.839 5.660 3.851
162 3HD1 ILE 26 3HD1 ILE 26 8.018 4.630 5.292
163 H ILE 27 H ILE 27 6.324 5.820 6.728
164 HA ILE 27 HA ILE 27 8.942 5.339 7.481
165 HB ILE 27 HB ILE 27 8.703 7.744 8.414
166 2HG1 ILE 27 2HG1 ILE 27 5.994 7.170 8.125
167 1HG2 ILE 27 1HG2 ILE 27 9.844 7.450 6.395
168 2HG2 ILE 27 2HG2 ILE 27 8.387 6.885 5.543
169 3HG2 ILE 27 3HG2 ILE 27 8.543 8.599 5.997
170 1HD1 ILE 27 1HD1 ILE 27 5.729 9.265 9.091
171 2HD1 ILE 27 2HD1 ILE 27 7.466 9.025 9.403
172 3HD1 ILE 27 3HD1 ILE 27 6.938 10.023 8.027
173 H GLY 28 H GLY 28 5.932 5.538 9.397
174 1HA GLY 28 1HA GLY 28 5.601 4.546 11.443
175 2HA GLY 28 2HA GLY 28 7.329 4.327 11.641
176 H GLY 29 H GLY 29 4.574 6.431 12.207
177 1HA GLY 29 1HA GLY 29 6.050 8.761 12.956
178 2HA GLY 29 2HA GLY 29 4.354 8.427 13.247
179 H MET 30 H MET 30 4.312 6.143 14.793
180 HA MET 30 HA MET 30 4.877 7.117 17.288
181 2HB MET 30 2HB MET 30 4.798 4.425 17.740
182 2HG MET 30 2HG MET 30 2.169 4.830 16.948
183 1HE MET 30 1HE MET 30 1.115 6.945 19.409
184 2HE MET 30 2HE MET 30 0.475 5.449 18.688
185 3HE MET 30 3HE MET 30 0.770 5.537 20.441
186 H ILE 31 H ILE 31 6.709 4.660 15.334
187 HA ILE 31 HA ILE 31 8.683 4.152 17.192
188 HB ILE 31 HB ILE 31 8.333 2.785 15.257
189 2HG1 ILE 31 2HG1 ILE 31 10.549 2.723 16.253
190 1HG2 ILE 31 1HG2 ILE 31 8.412 3.438 13.072
191 2HG2 ILE 31 2HG2 ILE 31 7.854 4.956 13.815
192 3HG2 ILE 31 3HG2 ILE 31 9.569 4.754 13.383
193 1HD1 ILE 31 1HD1 ILE 31 10.320 1.289 14.324
194 2HD1 ILE 31 2HD1 ILE 31 10.484 2.665 13.206
195 3HD1 ILE 31 3HD1 ILE 31 11.886 2.119 14.159
196 H SER 32 H SER 32 8.678 6.579 14.489
197 HA SER 32 HA SER 32 11.088 7.641 14.793
198 2HB SER 32 2HB SER 32 8.695 9.491 14.577
199 HG SER 32 HG SER 32 10.613 10.569 14.188
200 H GLY 33 H GLY 33 8.287 8.038 16.981
201 1HA GLY 33 1HA GLY 33 9.418 10.149 18.536
202 2HA GLY 33 2HA GLY 33 8.032 9.153 18.931
203 H TRP 34 H TRP 34 9.227 6.543 18.812
204 HA TRP 34 HA TRP 34 10.273 6.352 21.379
205 2HB TRP 34 2HB TRP 34 10.642 4.361 19.140
206 HD1 TRP 34 HD TRP 34 10.027 4.642 23.002
207 HE1 TRP 34 1HE TRP 34 11.136 2.603 24.258
208 HE3 TRP 34 3HE TRP 34 11.693 2.289 18.812
209 HZ2 TRP 34 2HZ TRP 34 12.553 0.287 23.378
210 HZ3 TRP 34 3HZ TRP 34 12.930 0.144 19.100
211 HH2 TRP 34 HH TRP 34 13.368 -0.859 21.285
212 H ALA 35 H ALA 35 11.903 6.092 18.134
213 HA ALA 35 HA ALA 35 14.489 5.908 19.161
214 1HB ALA 35 1HB ALA 35 15.176 6.273 16.890
215 2HB ALA 35 2HB ALA 35 13.646 5.366 16.823
216 3HB ALA 35 3HB ALA 35 13.659 7.117 16.499
217 H SER 36 H SER 36 12.375 8.697 18.376
218 HA SER 36 HA SER 36 14.364 10.622 18.532
219 2HB SER 36 2HB SER 36 12.100 11.969 19.326
220 HG SER 36 HG SER 36 12.047 12.617 17.248
221 H GLY 37 H GLY 37 12.382 8.941 20.981
222 1HA GLY 37 1HA GLY 37 12.924 10.707 23.140
223 2HA GLY 37 2HA GLY 37 12.315 9.067 23.231
224 H LEU 38 H LEU 38 14.228 7.418 22.266
225 HA LEU 38 HA LEU 38 16.176 7.479 24.296
226 2HB LEU 38 2HB LEU 38 15.329 5.414 23.420
227 HG LEU 38 HG LEU 38 15.337 6.371 20.913
228 1HD1 LEU 38 1HD1 LEU 38 17.583 4.518 20.490
229 2HD1 LEU 38 2HD1 LEU 38 17.185 6.056 19.686
230 3HD1 LEU 38 3HD1 LEU 38 18.027 6.063 21.254
231 1HD2 LEU 38 1HD2 LEU 38 15.825 3.508 20.801
232 2HD2 LEU 38 2HD2 LEU 38 14.768 3.950 22.163
233 3HD2 LEU 38 3HD2 LEU 38 14.331 4.430 20.505
234 H ALA 39 H ALA 39 16.310 8.110 20.729
235 HA ALA 39 HA ALA 39 19.055 8.744 20.749
236 1HB ALA 39 1HB ALA 39 18.721 9.266 18.482
237 2HB ALA 39 2HB ALA 39 17.441 8.073 18.809
238 3HB ALA 39 3HB ALA 39 17.048 9.809 18.752
239 H GLY 40 H GLY 40 16.089 10.518 21.525
240 1HA GLY 40 1HA GLY 40 16.659 13.119 21.140
241 2HA GLY 40 2HA GLY 40 15.861 12.509 22.577
242 H MET 41 H MET 41 18.103 10.958 23.642
243 HA MET 41 HA MET 41 20.428 12.428 23.783
244 2HB MET 41 2HB MET 41 18.977 14.144 24.901
245 2HG MET 41 2HG MET 41 17.613 11.988 25.971
246 1HE MET 41 1HE MET 41 16.814 11.566 28.894
247 2HE MET 41 2HE MET 41 17.724 12.571 30.047
248 3HE MET 41 3HE MET 41 16.835 13.336 28.709
Start of MODEL 5
1 1H ALA 1 1H ALA 1 -25.229 7.981 4.152
2 HA ALA 1 HA ALA 1 -25.954 6.506 5.684
3 1HB ALA 1 1HB ALA 1 -26.928 5.002 4.332
4 2HB ALA 1 2HB ALA 1 -25.775 5.437 3.047
5 3HB ALA 1 3HB ALA 1 -25.392 4.115 4.176
6 H ARG 2 H ARG 2 -23.000 5.008 4.171
7 HA ARG 2 HA ARG 2 -21.286 4.014 5.029
8 2HB ARG 2 2HB ARG 2 -21.674 5.258 7.760
9 2HG ARG 2 2HG ARG 2 -19.454 4.336 6.022
10 2HD ARG 2 2HD ARG 2 -19.416 7.029 6.232
11 HE ARG 2 HE ARG 2 -19.284 6.450 8.909
12 1HH1 ARG 2 2HH2 ARG 2 -16.904 7.715 6.647
13 2HH1 ARG 2 1HH2 ARG 2 -16.050 8.620 7.852
14 1HH2 ARG 2 2HH1 ARG 2 -18.158 7.644 10.500
15 2HH2 ARG 2 1HH1 ARG 2 -16.769 8.580 10.058
16 H SER 3 H SER 3 -21.363 1.831 5.452
17 HA SER 3 HA SER 3 -22.602 1.014 7.929
18 2HB SER 3 2HB SER 3 -24.464 0.661 6.493
19 HG SER 3 HG SER 3 -24.334 0.025 4.400
20 H TYR 4 H TYR 4 -21.742 -1.009 5.078
21 HA TYR 4 HA TYR 4 -20.329 -2.737 4.944
22 2HB TYR 4 2HB TYR 4 -17.992 -1.916 5.030
23 HD1 TYR 4 1HD TYR 4 -19.461 1.396 5.582
24 HD2 TYR 4 2HD TYR 4 -18.559 -1.590 2.654
25 HE1 TYR 4 1HE TYR 4 -19.818 3.098 3.728
26 HE2 TYR 4 2HE TYR 4 -18.920 0.122 0.809
27 HH TYR 4 HH TYR 4 -18.775 3.179 1.136
28 H GLY 5 H GLY 5 -17.948 -3.408 6.371
29 1HA GLY 5 1HA GLY 5 -18.796 -3.723 9.160
30 2HA GLY 5 2HA GLY 5 -18.574 -5.171 8.196
31 H ASN 6 H ASN 6 -16.892 -5.484 10.031
32 HA ASN 6 HA ASN 6 -14.799 -5.734 10.552
33 2HB ASN 6 2HB ASN 6 -14.073 -4.291 7.949
34 1HD2 ASN 6 1HD2 ASN 6 -12.045 -3.725 8.089
35 2HD2 ASN 6 2HD2 ASN 6 -10.748 -4.627 8.802
36 H GLY 7 H GLY 7 -16.176 -3.515 11.612
37 1HA GLY 7 1HA GLY 7 -15.915 -1.512 12.598
38 2HA GLY 7 2HA GLY 7 -14.208 -1.900 12.658
39 H VAL 8 H VAL 8 -16.666 -0.891 10.165
40 HA VAL 8 HA VAL 8 -14.647 0.507 8.688
41 HB VAL 8 HB VAL 8 -16.893 -0.737 7.988
42 1HG1 VAL 8 1HG1 VAL 8 -17.731 2.163 8.314
43 2HG1 VAL 8 2HG1 VAL 8 -18.627 0.945 7.376
44 3HG1 VAL 8 3HG1 VAL 8 -18.428 0.745 9.133
45 1HG2 VAL 8 1HG2 VAL 8 -15.577 -0.219 6.199
46 2HG2 VAL 8 2HG2 VAL 8 -16.843 1.008 5.948
47 3HG2 VAL 8 3HG2 VAL 8 -15.311 1.458 6.736
48 H TYR 9 H TYR 9 -17.196 1.248 11.079
49 HA TYR 9 HA TYR 9 -16.321 4.057 10.970
50 2HB TYR 9 2HB TYR 9 -18.644 4.026 10.390
51 HD1 TYR 9 1HD TYR 9 -18.268 1.530 13.172
52 HD2 TYR 9 2HD TYR 9 -20.447 2.735 9.692
53 HE1 TYR 9 1HE TYR 9 -19.675 -0.582 13.312
54 HE2 TYR 9 2HE TYR 9 -21.847 0.618 9.846
55 HH TYR 9 HH TYR 9 -21.142 -1.835 12.299
56 H CYS 10 H CYS 10 -14.633 2.578 12.421
57 HA CYS 10 HA CYS 10 -13.740 2.362 14.413
58 2HB CYS 10 2HB CYS 10 -14.219 3.878 16.155
59 H ASN 11 H ASN 11 -14.376 1.640 16.852
60 HA ASN 11 HA ASN 11 -16.166 -0.551 16.451
61 2HB ASN 11 2HB ASN 11 -14.641 0.261 18.980
62 1HD2 ASN 11 1HD2 ASN 11 -14.297 -1.446 20.421
63 2HD2 ASN 11 2HD2 ASN 11 -15.325 -2.839 20.477
64 H ASN 12 H ASN 12 -15.680 1.905 19.113
65 HA ASN 12 HA ASN 12 -18.436 2.586 19.044
66 2HB ASN 12 2HB ASN 12 -19.111 1.740 21.170
67 1HD2 ASN 12 1HD2 ASN 12 -16.407 -0.352 21.315
68 2HD2 ASN 12 2HD2 ASN 12 -17.079 -1.733 20.513
69 H LYS 13 H LYS 13 -15.743 2.405 21.507
70 HA LYS 13 HA LYS 13 -15.993 5.292 21.869
71 2HB LYS 13 2HB LYS 13 -16.193 3.805 23.849
72 2HG LYS 13 2HG LYS 13 -13.250 3.359 23.929
73 2HD LYS 13 2HD LYS 13 -14.665 0.971 24.406
74 2HE LYS 13 2HE LYS 13 -13.842 3.185 26.347
75 1HZ LYS 13 1HZ LYS 13 -13.616 0.784 27.528
76 2HZ LYS 13 2HZ LYS 13 -14.822 1.851 27.794
77 3HZ LYS 13 3HZ LYS 13 -15.031 0.633 26.726
78 H LYS 14 H LYS 14 -13.773 2.692 20.831
79 HA LYS 14 HA LYS 14 -11.649 4.637 20.458
80 2HB LYS 14 2HB LYS 14 -10.248 2.720 19.988
81 2HG LYS 14 2HG LYS 14 -11.670 3.137 22.432
82 2HD LYS 14 2HD LYS 14 -12.783 0.941 22.020
83 2HE LYS 14 2HE LYS 14 -10.180 -0.512 22.325
84 1HZ LYS 14 1HZ LYS 14 -11.369 -2.140 21.316
85 2HZ LYS 14 2HZ LYS 14 -12.597 -1.340 22.037
86 3HZ LYS 14 3HZ LYS 14 -12.305 -1.124 20.445
87 H CYS 15 H CYS 15 -10.491 3.288 18.131
88 HA CYS 15 HA CYS 15 -12.346 3.188 16.042
89 2HB CYS 15 2HB CYS 15 -10.751 5.750 16.026
90 H TRP 16 H TRP 16 -10.159 1.656 17.123
91 HA TRP 16 HA TRP 16 -8.470 0.447 16.331
92 2HB TRP 16 2HB TRP 16 -8.156 0.196 14.121
93 HD1 TRP 16 HD TRP 16 -9.944 2.574 12.167
94 HE1 TRP 16 1HE TRP 16 -12.504 2.056 11.788
95 HE3 TRP 16 3HE TRP 16 -10.365 -0.794 15.954
96 HZ2 TRP 16 2HZ TRP 16 -14.375 0.336 13.084
97 HZ3 TRP 16 3HZ TRP 16 -12.593 -1.847 16.330
98 HH2 TRP 16 HH TRP 16 -14.556 -1.331 14.967
99 H VAL 17 H VAL 17 -7.754 3.633 14.743
100 HA VAL 17 HA VAL 17 -6.133 5.102 15.048
101 HB VAL 17 HB VAL 17 -6.481 4.053 17.837
102 1HG1 VAL 17 1HG1 VAL 17 -4.283 5.840 16.832
103 2HG1 VAL 17 2HG1 VAL 17 -4.981 6.121 18.445
104 3HG1 VAL 17 3HG1 VAL 17 -4.233 4.553 18.060
105 1HG2 VAL 17 1HG2 VAL 17 -8.007 5.749 16.483
106 2HG2 VAL 17 2HG2 VAL 17 -7.687 5.971 18.219
107 3HG2 VAL 17 3HG2 VAL 17 -6.777 6.919 17.019
108 H ASN 18 H ASN 18 -4.079 5.046 14.264
109 HA ASN 18 HA ASN 18 -2.264 4.108 13.484
110 2HB ASN 18 2HB ASN 18 -1.218 2.846 15.870
111 1HD2 ASN 18 1HD2 ASN 18 0.492 4.281 16.833
112 2HD2 ASN 18 2HD2 ASN 18 1.362 5.331 15.764
113 H ARG 19 H ARG 19 -3.189 2.363 12.183
114 HA ARG 19 HA ARG 19 -3.275 -0.200 13.549
115 2HB ARG 19 2HB ARG 19 -4.330 -0.007 10.761
116 2HG ARG 19 2HG ARG 19 -5.192 -1.191 13.419
117 2HD ARG 19 2HD ARG 19 -7.220 -0.164 12.333
118 HE ARG 19 HE ARG 19 -6.158 -1.530 9.948
119 1HH1 ARG 19 2HH2 ARG 19 -8.976 -0.074 11.473
120 2HH1 ARG 19 1HH2 ARG 19 -9.805 0.194 9.977
121 1HH2 ARG 19 2HH1 ARG 19 -7.253 -1.176 7.974
122 2HH2 ARG 19 1HH1 ARG 19 -8.819 -0.436 7.973
123 H GLY 20 H GLY 20 -2.107 1.553 10.613
124 1HA GLY 20 1HA GLY 20 -0.833 -0.557 9.318
125 2HA GLY 20 2HA GLY 20 -0.416 1.141 9.193
126 H GLU 21 H GLU 21 0.789 2.044 11.279
127 HA GLU 21 HA GLU 21 3.216 0.853 11.386
128 2HB GLU 21 2HB GLU 21 2.678 3.178 12.135
129 2HG GLU 21 2HG GLU 21 0.695 2.190 13.634
130 HE2 GLU 21 HE2 GLU 21 0.742 2.116 16.553
131 H ALA 22 H ALA 22 0.296 0.167 13.314
132 HA ALA 22 HA ALA 22 1.521 -1.294 15.358
133 1HB ALA 22 1HB ALA 22 -0.678 -0.681 15.793
134 2HB ALA 22 2HB ALA 22 -1.230 -1.093 14.152
135 3HB ALA 22 3HB ALA 22 -0.890 -2.385 15.327
136 H THR 23 H THR 23 0.034 -2.336 12.212
137 HA THR 23 HA THR 23 0.832 -5.052 12.606
138 HB THR 23 HB THR 23 -1.188 -4.400 11.313
139 HG1 THR 23 1HG THR 23 -0.078 -6.330 10.643
140 1HG2 THR 23 1HG2 THR 23 -0.746 -3.502 8.946
141 2HG2 THR 23 2HG2 THR 23 -0.544 -2.305 10.247
142 3HG2 THR 23 3HG2 THR 23 0.886 -3.062 9.505
143 H GLN 24 H GLN 24 2.181 -2.198 10.914
144 HA GLN 24 HA GLN 24 4.024 -3.447 9.373
145 2HB GLN 24 2HB GLN 24 5.398 -1.308 9.712
146 2HG GLN 24 2HG GLN 24 2.676 -0.258 9.291
147 1HE2 GLN 24 1HE2 GLN 24 2.844 -0.548 6.465
148 2HE2 GLN 24 2HE2 GLN 24 4.171 0.404 5.885
149 H SER 25 H SER 25 4.665 -2.091 12.696
150 HA SER 25 HA SER 25 6.176 -4.418 13.331
151 2HB SER 25 2HB SER 25 7.879 -2.075 13.833
152 HG SER 25 HG SER 25 9.391 -3.533 12.615
153 H ILE 26 H ILE 26 6.527 -4.593 15.639
154 HA ILE 26 HA ILE 26 4.647 -3.172 17.178
155 HB ILE 26 HB ILE 26 5.896 -4.342 19.078
156 2HG1 ILE 26 2HG1 ILE 26 7.836 -4.701 17.090
157 1HG2 ILE 26 1HG2 ILE 26 3.820 -5.192 18.248
158 2HG2 ILE 26 2HG2 ILE 26 4.608 -5.870 16.803
159 3HG2 ILE 26 3HG2 ILE 26 4.949 -6.559 18.409
160 1HD1 ILE 26 1HD1 ILE 26 7.674 -6.449 19.554
161 2HD1 ILE 26 2HD1 ILE 26 9.088 -5.628 18.849
162 3HD1 ILE 26 3HD1 ILE 26 7.861 -4.688 19.732
163 H ILE 27 H ILE 27 8.151 -2.811 16.546
164 HA ILE 27 HA ILE 27 8.599 -0.946 18.610
165 HB ILE 27 HB ILE 27 10.186 -2.418 17.081
166 2HG1 ILE 27 2HG1 ILE 27 10.534 -0.654 19.109
167 1HG2 ILE 27 1HG2 ILE 27 11.265 -1.273 15.332
168 2HG2 ILE 27 2HG2 ILE 27 9.525 -1.022 15.056
169 3HG2 ILE 27 3HG2 ILE 27 10.509 0.281 15.765
170 1HD1 ILE 27 1HD1 ILE 27 12.532 -1.756 19.396
171 2HD1 ILE 27 2HD1 ILE 27 11.903 -2.778 18.081
172 3HD1 ILE 27 3HD1 ILE 27 13.048 -1.466 17.718
173 H GLY 28 H GLY 28 7.413 -0.733 15.249
174 1HA GLY 28 1HA GLY 28 6.022 0.989 14.527
175 2HA GLY 28 2HA GLY 28 6.650 2.046 15.777
176 H GLY 29 H GLY 29 6.786 1.240 12.463
177 1HA GLY 29 1HA GLY 29 9.505 1.932 11.918
178 2HA GLY 29 2HA GLY 29 8.192 1.756 10.769
179 H MET 30 H MET 30 6.311 3.645 11.712
180 HA MET 30 HA MET 30 7.336 5.957 10.596
181 2HB MET 30 2HB MET 30 5.156 6.872 11.961
182 2HG MET 30 2HG MET 30 3.727 5.689 10.136
183 1HE MET 30 1HE MET 30 6.339 6.168 7.490
184 2HE MET 30 2HE MET 30 4.573 5.990 7.361
185 3HE MET 30 3HE MET 30 5.354 7.507 6.855
186 H ILE 31 H ILE 31 6.609 5.136 14.061
187 HA ILE 31 HA ILE 31 7.364 7.556 15.150
188 HB ILE 31 HB ILE 31 6.143 5.899 16.376
189 2HG1 ILE 31 2HG1 ILE 31 7.428 7.499 17.679
190 1HG2 ILE 31 1HG2 ILE 31 7.603 3.996 15.253
191 2HG2 ILE 31 2HG2 ILE 31 8.520 4.137 16.771
192 3HG2 ILE 31 3HG2 ILE 31 6.782 3.753 16.813
193 1HD1 ILE 31 1HD1 ILE 31 7.775 6.123 19.756
194 2HD1 ILE 31 2HD1 ILE 31 6.211 5.807 18.969
195 3HD1 ILE 31 3HD1 ILE 31 7.552 4.654 18.777
196 H SER 32 H SER 32 9.363 4.562 14.661
197 HA SER 32 HA SER 32 11.676 5.371 15.682
198 2HB SER 32 2HB SER 32 12.224 4.185 13.083
199 HG SER 32 HG SER 32 12.412 3.498 15.835
200 H GLY 33 H GLY 33 10.176 6.474 12.629
201 1HA GLY 33 1HA GLY 33 12.486 7.873 11.675
202 2HA GLY 33 2HA GLY 33 10.844 7.975 11.071
203 H TRP 34 H TRP 34 9.499 8.707 13.532
204 HA TRP 34 HA TRP 34 9.833 11.476 13.440
205 2HB TRP 34 2HB TRP 34 8.558 9.899 15.676
206 HD1 TRP 34 HD TRP 34 8.229 13.199 13.587
207 HE1 TRP 34 1HE TRP 34 7.171 15.116 15.061
208 HE3 TRP 34 3HE TRP 34 7.513 10.340 17.730
209 HZ2 TRP 34 2HZ TRP 34 6.176 15.218 17.733
210 HZ3 TRP 34 3HZ TRP 34 6.493 11.425 19.729
211 HH2 TRP 34 HH TRP 34 5.832 13.778 19.775
212 H ALA 35 H ALA 35 10.703 9.055 16.020
213 HA ALA 35 HA ALA 35 12.064 10.874 17.631
214 1HB ALA 35 1HB ALA 35 12.821 8.932 18.804
215 2HB ALA 35 2HB ALA 35 11.204 8.532 18.179
216 3HB ALA 35 3HB ALA 35 12.655 7.907 17.359
217 H SER 36 H SER 36 13.102 8.846 14.848
218 HA SER 36 HA SER 36 15.805 9.202 15.143
219 2HB SER 36 2HB SER 36 15.551 9.067 12.427
220 HG SER 36 HG SER 36 16.263 7.398 14.167
221 H GLY 37 H GLY 37 13.277 11.298 13.704
222 1HA GLY 37 1HA GLY 37 15.054 13.143 12.470
223 2HA GLY 37 2HA GLY 37 13.351 13.370 12.817
224 H LEU 38 H LEU 38 13.137 13.193 15.564
225 HA LEU 38 HA LEU 38 14.028 15.691 16.391
226 2HB LEU 38 2HB LEU 38 13.183 15.072 18.556
227 HG LEU 38 HG LEU 38 11.576 14.175 16.199
228 1HD1 LEU 38 1HD1 LEU 38 10.833 12.465 17.569
229 2HD1 LEU 38 2HD1 LEU 38 11.005 13.433 19.054
230 3HD1 LEU 38 3HD1 LEU 38 9.672 13.768 17.922
231 1HD2 LEU 38 1HD2 LEU 38 11.723 16.464 18.012
232 2HD2 LEU 38 2HD2 LEU 38 11.057 16.338 16.366
233 3HD2 LEU 38 3HD2 LEU 38 10.063 15.870 17.766
234 H ALA 39 H ALA 39 15.290 12.372 17.129
235 HA ALA 39 HA ALA 39 17.411 13.320 18.721
236 1HB ALA 39 1HB ALA 39 17.701 11.109 19.078
237 2HB ALA 39 2HB ALA 39 16.245 10.875 18.080
238 3HB ALA 39 3HB ALA 39 17.859 10.767 17.337
239 H GLY 40 H GLY 40 16.870 13.035 15.242
240 1HA GLY 40 1HA GLY 40 19.651 13.121 14.522
241 2HA GLY 40 2HA GLY 40 18.262 13.282 13.467
242 H MET 41 H MET 41 19.705 15.120 16.264
243 HA MET 41 HA MET 41 20.157 17.227 16.540
244 2HB MET 41 2HB MET 41 20.219 18.397 13.938
245 2HG MET 41 2HG MET 41 22.480 16.926 15.377
246 1HE MET 41 1HE MET 41 25.335 18.235 14.273
247 2HE MET 41 2HE MET 41 24.370 16.806 14.710
248 3HE MET 41 3HE MET 41 24.853 17.070 13.017
Start of MODEL 6
1 1H ALA 1 1H ALA 1 -22.746 4.085 11.834
2 HA ALA 1 HA ALA 1 -23.309 2.616 14.011
3 1HB ALA 1 1HB ALA 1 -23.258 0.232 13.040
4 2HB ALA 1 2HB ALA 1 -24.788 1.130 12.894
5 3HB ALA 1 3HB ALA 1 -23.706 0.979 11.489
6 H ARG 2 H ARG 2 -21.611 1.860 10.879
7 HA ARG 2 HA ARG 2 -19.521 1.626 10.391
8 2HB ARG 2 2HB ARG 2 -18.523 3.064 12.853
9 2HG ARG 2 2HG ARG 2 -17.693 2.602 10.075
10 2HD ARG 2 2HD ARG 2 -16.625 5.146 10.371
11 HE ARG 2 HE ARG 2 -18.693 3.974 8.636
12 1HH1 ARG 2 2HH2 ARG 2 -16.734 6.815 9.325
13 2HH1 ARG 2 1HH2 ARG 2 -16.894 7.469 7.730
14 1HH2 ARG 2 2HH1 ARG 2 -18.903 4.836 6.531
15 2HH2 ARG 2 1HH1 ARG 2 -18.135 6.336 6.129
16 H SER 3 H SER 3 -17.759 0.149 10.778
17 HA SER 3 HA SER 3 -17.098 -0.768 13.307
18 2HB SER 3 2HB SER 3 -19.004 -2.559 11.742
19 HG SER 3 HG SER 3 -17.035 -3.599 12.844
20 H TYR 4 H TYR 4 -17.685 -2.739 10.318
21 HA TYR 4 HA TYR 4 -16.260 -3.905 9.062
22 2HB TYR 4 2HB TYR 4 -14.525 -2.384 8.022
23 HD1 TYR 4 1HD TYR 4 -16.464 -2.680 6.425
24 HD2 TYR 4 2HD TYR 4 -16.396 0.388 9.406
25 HE1 TYR 4 1HE TYR 4 -18.280 -1.414 5.175
26 HE2 TYR 4 2HE TYR 4 -18.212 1.644 8.145
27 HH TYR 4 HH TYR 4 -19.016 0.960 4.988
28 H GLY 5 H GLY 5 -15.641 -5.463 10.707
29 1HA GLY 5 1HA GLY 5 -14.225 -6.473 12.162
30 2HA GLY 5 2HA GLY 5 -13.040 -6.075 10.934
31 H ASN 6 H ASN 6 -11.540 -4.381 11.265
32 HA ASN 6 HA ASN 6 -11.908 -2.702 13.553
33 2HB ASN 6 2HB ASN 6 -10.785 -4.813 14.442
34 1HD2 ASN 6 1HD2 ASN 6 -7.859 -4.209 14.722
35 2HD2 ASN 6 2HD2 ASN 6 -7.082 -4.991 13.388
36 H GLY 7 H GLY 7 -11.076 -0.678 12.969
37 1HA GLY 7 1HA GLY 7 -9.174 0.571 12.172
38 2HA GLY 7 2HA GLY 7 -8.958 -0.620 10.906
39 H VAL 8 H VAL 8 -11.613 1.504 12.215
40 HA VAL 8 HA VAL 8 -11.925 2.763 9.680
41 HB VAL 8 HB VAL 8 -13.809 0.602 10.554
42 1HG1 VAL 8 1HG1 VAL 8 -14.562 3.242 9.485
43 2HG1 VAL 8 2HG1 VAL 8 -15.201 1.867 8.552
44 3HG1 VAL 8 3HG1 VAL 8 -15.552 2.003 10.292
45 1HG2 VAL 8 1HG2 VAL 8 -12.263 1.335 8.102
46 2HG2 VAL 8 2HG2 VAL 8 -12.529 -0.254 8.859
47 3HG2 VAL 8 3HG2 VAL 8 -13.820 0.496 7.890
48 H TYR 9 H TYR 9 -13.322 1.940 12.907
49 HA TYR 9 HA TYR 9 -15.055 3.894 13.376
50 2HB TYR 9 2HB TYR 9 -14.195 3.747 15.731
51 HD1 TYR 9 1HD TYR 9 -16.154 2.213 15.638
52 HD2 TYR 9 2HD TYR 9 -12.228 0.914 14.542
53 HE1 TYR 9 1HE TYR 9 -16.892 -0.212 15.838
54 HE2 TYR 9 2HE TYR 9 -12.979 -1.507 14.746
55 HH TYR 9 HH TYR 9 -16.329 -2.283 15.656
56 H CYS 10 H CYS 10 -11.503 4.363 14.031
57 HA CYS 10 HA CYS 10 -10.253 6.165 14.061
58 2HB CYS 10 2HB CYS 10 -11.203 8.107 12.457
59 H ASN 11 H ASN 11 -10.327 7.108 16.087
60 HA ASN 11 HA ASN 11 -12.455 7.891 17.462
61 2HB ASN 11 2HB ASN 11 -10.372 9.887 17.891
62 1HD2 ASN 11 1HD2 ASN 11 -12.186 9.904 19.457
63 2HD2 ASN 11 2HD2 ASN 11 -12.070 8.917 20.876
64 H ASN 12 H ASN 12 -10.271 10.352 15.886
65 HA ASN 12 HA ASN 12 -12.255 11.554 14.391
66 2HB ASN 12 2HB ASN 12 -13.345 12.412 16.335
67 1HD2 ASN 12 1HD2 ASN 12 -12.746 11.169 18.116
68 2HD2 ASN 12 2HD2 ASN 12 -11.624 11.726 19.312
69 H LYS 13 H LYS 13 -9.487 12.337 16.631
70 HA LYS 13 HA LYS 13 -8.267 13.906 14.492
71 2HB LYS 13 2HB LYS 13 -7.827 13.755 17.479
72 2HG LYS 13 2HG LYS 13 -6.302 15.827 16.120
73 2HD LYS 13 2HD LYS 13 -6.119 14.452 18.468
74 2HE LYS 13 2HE LYS 13 -3.770 13.356 16.896
75 1HZ LYS 13 1HZ LYS 13 -5.162 12.325 19.262
76 2HZ LYS 13 2HZ LYS 13 -3.678 11.915 18.718
77 3HZ LYS 13 3HZ LYS 13 -3.931 13.394 19.364
78 H LYS 14 H LYS 14 -7.579 11.193 16.791
79 HA LYS 14 HA LYS 14 -5.048 10.622 15.763
80 2HB LYS 14 2HB LYS 14 -5.313 8.475 16.938
81 2HG LYS 14 2HG LYS 14 -6.250 11.033 18.286
82 2HD LYS 14 2HD LYS 14 -5.690 9.715 20.456
83 2HE LYS 14 2HE LYS 14 -8.101 8.409 20.026
84 1HZ LYS 14 1HZ LYS 14 -7.206 10.747 21.204
85 2HZ LYS 14 2HZ LYS 14 -8.589 11.112 20.415
86 3HZ LYS 14 3HZ LYS 14 -8.576 9.920 21.531
87 H CYS 15 H CYS 15 -8.076 8.670 15.274
88 HA CYS 15 HA CYS 15 -8.832 7.578 13.526
89 2HB CYS 15 2HB CYS 15 -6.937 9.111 11.744
90 H TRP 16 H TRP 16 -8.334 5.435 13.185
91 HA TRP 16 HA TRP 16 -5.530 4.792 12.601
92 2HB TRP 16 2HB TRP 16 -5.624 4.217 14.840
93 HD1 TRP 16 HD TRP 16 -8.781 2.152 13.782
94 HE1 TRP 16 1HE TRP 16 -10.657 2.330 15.630
95 HE3 TRP 16 3HE TRP 16 -6.236 5.354 16.804
96 HZ2 TRP 16 2HZ TRP 16 -10.860 3.756 18.094
97 HZ3 TRP 16 3HZ TRP 16 -7.345 6.090 18.912
98 HH2 TRP 16 HH TRP 16 -9.576 5.343 19.574
99 H VAL 17 H VAL 17 -5.358 2.614 11.493
100 HA VAL 17 HA VAL 17 -7.734 1.438 10.464
101 HB VAL 17 HB VAL 17 -7.843 3.301 9.025
102 1HG1 VAL 17 1HG1 VAL 17 -4.871 2.931 8.523
103 2HG1 VAL 17 2HG1 VAL 17 -5.922 4.070 7.646
104 3HG1 VAL 17 3HG1 VAL 17 -5.652 4.273 9.394
105 1HG2 VAL 17 1HG2 VAL 17 -7.470 2.332 6.808
106 2HG2 VAL 17 2HG2 VAL 17 -6.416 1.083 7.517
107 3HG2 VAL 17 3HG2 VAL 17 -8.149 1.121 7.922
108 H ASN 18 H ASN 18 -4.184 2.004 10.109
109 HA ASN 18 HA ASN 18 -3.930 -0.808 9.441
110 2HB ASN 18 2HB ASN 18 -1.809 1.403 9.378
111 1HD2 ASN 18 1HD2 ASN 18 0.059 0.862 8.259
112 2HD2 ASN 18 2HD2 ASN 18 0.565 -0.774 8.002
113 H ARG 19 H ARG 19 -4.113 -1.741 11.577
114 HA ARG 19 HA ARG 19 -2.172 -0.741 13.494
115 2HB ARG 19 2HB ARG 19 -4.000 -2.695 14.632
116 2HG ARG 19 2HG ARG 19 -3.177 0.148 15.042
117 2HD ARG 19 2HD ARG 19 -5.731 0.225 14.968
118 HE ARG 19 HE ARG 19 -5.684 -2.150 16.330
119 1HH1 ARG 19 2HH2 ARG 19 -6.806 1.058 17.242
120 2HH1 ARG 19 1HH2 ARG 19 -8.020 0.465 18.324
121 1HH2 ARG 19 2HH1 ARG 19 -7.287 -2.933 17.758
122 2HH2 ARG 19 1HH1 ARG 19 -8.297 -1.820 18.619
123 H GLY 20 H GLY 20 -3.566 -3.715 11.979
124 1HA GLY 20 1HA GLY 20 -1.986 -5.624 13.255
125 2HA GLY 20 2HA GLY 20 -2.733 -5.779 11.677
126 H GLU 21 H GLU 21 -1.560 -4.542 9.815
127 HA GLU 21 HA GLU 21 0.977 -5.563 9.613
128 2HB GLU 21 2HB GLU 21 0.031 -3.136 8.049
129 2HG GLU 21 2HG GLU 21 2.330 -4.518 7.781
130 HE2 GLU 21 HE2 GLU 21 0.841 -5.420 4.920
131 H ALA 22 H ALA 22 -0.173 -2.670 11.193
132 HA ALA 22 HA ALA 22 2.149 -1.102 10.975
133 1HB ALA 22 1HB ALA 22 1.040 -0.225 13.262
134 2HB ALA 22 2HB ALA 22 0.341 0.140 11.666
135 3HB ALA 22 3HB ALA 22 -0.331 -1.183 12.650
136 H THR 23 H THR 23 0.955 -3.379 13.539
137 HA THR 23 HA THR 23 3.508 -3.181 14.900
138 HB THR 23 HB THR 23 1.286 -3.222 16.103
139 HG1 THR 23 1HG THR 23 2.990 -4.037 17.346
140 1HG2 THR 23 1HG2 THR 23 -0.032 -5.216 16.202
141 2HG2 THR 23 2HG2 THR 23 0.301 -5.023 14.465
142 3HG2 THR 23 3HG2 THR 23 1.238 -6.191 15.426
143 H GLN 24 H GLN 24 1.618 -5.589 13.001
144 HA GLN 24 HA GLN 24 3.247 -7.729 13.405
145 2HB GLN 24 2HB GLN 24 2.436 -8.448 11.074
146 2HG GLN 24 2HG GLN 24 -0.004 -7.444 12.441
147 1HE2 GLN 24 1HE2 GLN 24 -1.537 -8.703 11.739
148 2HE2 GLN 24 2HE2 GLN 24 -1.396 -10.348 11.212
149 H SER 25 H SER 25 3.485 -5.189 10.818
150 HA SER 25 HA SER 25 5.694 -6.249 9.577
151 2HB SER 25 2HB SER 25 4.213 -4.389 8.727
152 HG SER 25 HG SER 25 4.673 -3.151 10.908
153 H ILE 26 H ILE 26 7.889 -6.267 10.044
154 HA ILE 26 HA ILE 26 8.725 -5.620 12.635
155 HB ILE 26 HB ILE 26 11.002 -6.060 11.685
156 2HG1 ILE 26 2HG1 ILE 26 9.551 -5.707 9.192
157 1HG2 ILE 26 1HG2 ILE 26 8.757 -8.049 11.311
158 2HG2 ILE 26 2HG2 ILE 26 10.477 -8.477 11.157
159 3HG2 ILE 26 3HG2 ILE 26 9.849 -7.861 12.704
160 1HD1 ILE 26 1HD1 ILE 26 12.448 -6.353 9.188
161 2HD1 ILE 26 2HD1 ILE 26 11.598 -4.934 8.531
162 3HD1 ILE 26 3HD1 ILE 26 11.997 -5.010 10.264
163 H ILE 27 H ILE 27 8.910 -3.891 9.489
164 HA ILE 27 HA ILE 27 10.634 -1.874 10.261
165 HB ILE 27 HB ILE 27 9.262 -0.559 8.495
166 2HG1 ILE 27 2HG1 ILE 27 7.492 -2.679 8.871
167 1HG2 ILE 27 1HG2 ILE 27 11.251 -2.647 8.343
168 2HG2 ILE 27 2HG2 ILE 27 10.239 -2.637 6.879
169 3HG2 ILE 27 3HG2 ILE 27 11.088 -1.156 7.384
170 1HD1 ILE 27 1HD1 ILE 27 7.189 -0.288 7.915
171 2HD1 ILE 27 2HD1 ILE 27 7.655 -0.991 6.347
172 3HD1 ILE 27 3HD1 ILE 27 6.202 -1.581 7.190
173 H GLY 28 H GLY 28 7.156 -2.371 10.910
174 1HA GLY 28 1HA GLY 28 5.736 -1.312 12.292
175 2HA GLY 28 2HA GLY 28 7.140 -0.758 13.184
176 H GLY 29 H GLY 29 4.694 0.058 10.777
177 1HA GLY 29 1HA GLY 29 5.858 2.524 9.925
178 2HA GLY 29 2HA GLY 29 4.216 1.969 9.667
179 H MET 30 H MET 30 3.180 1.616 12.215
180 HA MET 30 HA MET 30 2.536 4.189 12.921
181 2HB MET 30 2HB MET 30 1.932 2.800 15.195
182 2HG MET 30 2HG MET 30 0.167 1.639 13.309
183 1HE MET 30 1HE MET 30 -2.157 4.841 13.550
184 2HE MET 30 2HE MET 30 -1.640 3.469 12.539
185 3HE MET 30 3HE MET 30 -2.752 3.201 13.903
186 H ILE 31 H ILE 31 4.797 1.857 14.549
187 HA ILE 31 HA ILE 31 5.521 3.494 16.649
188 HB ILE 31 HB ILE 31 6.020 1.152 16.590
189 2HG1 ILE 31 2HG1 ILE 31 7.429 2.535 18.007
190 1HG2 ILE 31 1HG2 ILE 31 8.237 1.459 14.615
191 2HG2 ILE 31 2HG2 ILE 31 7.244 0.038 15.019
192 3HG2 ILE 31 3HG2 ILE 31 6.570 1.337 14.005
193 1HD1 ILE 31 1HD1 ILE 31 9.550 1.106 17.937
194 2HD1 ILE 31 2HD1 ILE 31 8.024 0.197 18.055
195 3HD1 ILE 31 3HD1 ILE 31 8.870 0.318 16.493
196 H SER 32 H SER 32 7.131 3.098 13.416
197 HA SER 32 HA SER 32 9.176 4.765 13.699
198 2HB SER 32 2HB SER 32 7.445 4.983 11.220
199 HG SER 32 HG SER 32 9.739 5.923 11.564
200 H GLY 33 H GLY 33 5.723 5.646 13.370
201 1HA GLY 33 1HA GLY 33 6.146 8.431 12.945
202 2HA GLY 33 2HA GLY 33 4.655 7.634 13.404
203 H TRP 34 H TRP 34 5.494 6.340 15.828
204 HA TRP 34 HA TRP 34 5.077 8.357 17.668
205 2HB TRP 34 2HB TRP 34 6.453 5.720 18.192
206 HD1 TRP 34 HD TRP 34 3.966 8.306 19.773
207 HE1 TRP 34 1HE TRP 34 4.188 8.303 22.402
208 HE3 TRP 34 3HE TRP 34 7.438 4.598 20.000
209 HZ2 TRP 34 2HZ TRP 34 5.757 6.785 24.241
210 HZ3 TRP 34 3HZ TRP 34 8.262 3.915 22.251
211 HH2 TRP 34 HH TRP 34 7.478 4.943 24.325
212 H ALA 35 H ALA 35 8.141 6.681 16.662
213 HA ALA 35 HA ALA 35 9.792 8.258 18.311
214 1HB ALA 35 1HB ALA 35 10.570 6.828 15.746
215 2HB ALA 35 2HB ALA 35 11.585 7.159 17.171
216 3HB ALA 35 3HB ALA 35 10.263 5.972 17.276
217 H SER 36 H SER 36 8.486 8.600 15.000
218 HA SER 36 HA SER 36 10.217 10.632 14.219
219 2HB SER 36 2HB SER 36 7.352 10.119 13.302
220 HG SER 36 HG SER 36 7.787 11.728 11.967
221 H GLY 37 H GLY 37 7.179 10.552 16.096
222 1HA GLY 37 1HA GLY 37 6.672 13.361 15.971
223 2HA GLY 37 2HA GLY 37 5.937 12.186 17.043
224 H LEU 38 H LEU 38 8.078 11.117 18.466
225 HA LEU 38 HA LEU 38 8.510 13.042 20.403
226 2HB LEU 38 2HB LEU 38 10.052 11.453 21.376
227 HG LEU 38 HG LEU 38 7.531 10.355 20.197
228 1HD1 LEU 38 1HD1 LEU 38 9.831 8.716 21.131
229 2HD1 LEU 38 2HD1 LEU 38 8.209 8.246 21.694
230 3HD1 LEU 38 3HD1 LEU 38 8.551 8.344 19.951
231 1HD2 LEU 38 1HD2 LEU 38 8.163 10.031 23.059
232 2HD2 LEU 38 2HD2 LEU 38 8.089 11.714 22.487
233 3HD2 LEU 38 3HD2 LEU 38 6.692 10.636 22.261
234 H ALA 39 H ALA 39 10.717 11.853 17.783
235 HA ALA 39 HA ALA 39 12.821 13.580 18.467
236 1HB ALA 39 1HB ALA 39 12.655 12.888 15.629
237 2HB ALA 39 2HB ALA 39 13.853 12.396 16.851
238 3HB ALA 39 3HB ALA 39 12.335 11.483 16.675
239 H GLY 40 H GLY 40 9.768 14.027 16.770
240 1HA GLY 40 1HA GLY 40 10.543 16.368 15.317
241 2HA GLY 40 2HA GLY 40 8.922 15.759 15.584
242 H MET 41 H MET 41 11.645 17.134 17.577
243 HA MET 41 HA MET 41 11.616 18.457 19.319
244 2HB MET 41 2HB MET 41 9.998 20.552 18.880
245 2HG MET 41 2HG MET 41 11.641 20.754 16.593
246 1HE MET 41 1HE MET 41 12.050 23.760 17.219
247 2HE MET 41 2HE MET 41 10.617 22.710 17.113
248 3HE MET 41 3HE MET 41 10.841 23.772 18.525
Start of MODEL 7
1 1H ALA 1 1H ALA 1 -12.739 -2.192 2.980
2 HA ALA 1 HA ALA 1 -14.705 -1.960 5.065
3 1HB ALA 1 1HB ALA 1 -16.176 -1.810 3.141
4 2HB ALA 1 2HB ALA 1 -15.379 -3.202 2.368
5 3HB ALA 1 3HB ALA 1 -16.339 -3.434 3.849
6 H ARG 2 H ARG 2 -12.776 -2.866 6.142
7 HA ARG 2 HA ARG 2 -11.904 -5.418 5.254
8 2HB ARG 2 2HB ARG 2 -10.770 -5.206 7.711
9 2HG ARG 2 2HG ARG 2 -10.102 -4.092 5.028
10 2HD ARG 2 2HD ARG 2 -8.088 -3.382 7.096
11 HE ARG 2 HE ARG 2 -8.815 -1.324 5.247
12 1HH1 ARG 2 2HH2 ARG 2 -7.467 -4.575 5.261
13 2HH1 ARG 2 1HH2 ARG 2 -6.579 -4.350 3.791
14 1HH2 ARG 2 2HH1 ARG 2 -7.644 -1.027 3.308
15 2HH2 ARG 2 1HH1 ARG 2 -6.680 -2.319 2.673
16 H SER 3 H SER 3 -12.969 -4.386 8.576
17 HA SER 3 HA SER 3 -14.548 -5.188 9.883
18 2HB SER 3 2HB SER 3 -16.261 -6.605 9.163
19 HG SER 3 HG SER 3 -15.551 -4.851 7.433
20 H TYR 4 H TYR 4 -12.642 -5.655 11.218
21 HA TYR 4 HA TYR 4 -11.983 -8.524 11.258
22 2HB TYR 4 2HB TYR 4 -10.033 -6.964 12.645
23 HD1 TYR 4 1HD TYR 4 -9.585 -6.388 9.128
24 HD2 TYR 4 2HD TYR 4 -9.247 -9.367 12.181
25 HE1 TYR 4 1HE TYR 4 -8.025 -7.742 7.645
26 HE2 TYR 4 2HE TYR 4 -7.689 -10.711 10.687
27 HH TYR 4 HH TYR 4 -6.104 -9.507 8.193
28 H GLY 5 H GLY 5 -12.047 -5.541 13.345
29 1HA GLY 5 1HA GLY 5 -13.268 -7.192 15.463
30 2HA GLY 5 2HA GLY 5 -11.855 -6.210 15.800
31 H ASN 6 H ASN 6 -12.835 -4.744 17.242
32 HA ASN 6 HA ASN 6 -15.267 -3.485 16.488
33 2HB ASN 6 2HB ASN 6 -13.295 -3.133 18.791
34 1HD2 ASN 6 1HD2 ASN 6 -16.174 -1.899 17.172
35 2HD2 ASN 6 2HD2 ASN 6 -16.323 -0.416 18.054
36 H GLY 7 H GLY 7 -14.197 -2.686 14.349
37 1HA GLY 7 1HA GLY 7 -13.873 -0.594 13.353
38 2HA GLY 7 2HA GLY 7 -13.091 -0.006 14.807
39 H VAL 8 H VAL 8 -12.342 -0.417 11.749
40 HA VAL 8 HA VAL 8 -9.590 -0.988 12.318
41 HB VAL 8 HB VAL 8 -10.020 -3.216 12.041
42 1HG1 VAL 8 1HG1 VAL 8 -12.408 -2.278 10.637
43 2HG1 VAL 8 2HG1 VAL 8 -11.674 -3.704 9.864
44 3HG1 VAL 8 3HG1 VAL 8 -12.143 -3.763 11.580
45 1HG2 VAL 8 1HG2 VAL 8 -8.764 -3.737 10.245
46 2HG2 VAL 8 2HG2 VAL 8 -9.886 -2.953 9.108
47 3HG2 VAL 8 3HG2 VAL 8 -8.686 -1.978 9.988
48 H TYR 9 H TYR 9 -11.382 -1.408 9.225
49 HA TYR 9 HA TYR 9 -9.833 0.073 7.638
50 2HB TYR 9 2HB TYR 9 -11.766 -1.056 6.733
51 HD1 TYR 9 1HD TYR 9 -13.039 -2.480 8.180
52 HD2 TYR 9 2HD TYR 9 -13.770 1.735 8.133
53 HE1 TYR 9 1HE TYR 9 -15.171 -2.828 9.519
54 HE2 TYR 9 2HE TYR 9 -15.901 1.373 9.472
55 HH TYR 9 HH TYR 9 -16.957 -0.114 10.800
56 H CYS 10 H CYS 10 -12.374 1.363 9.853
57 HA CYS 10 HA CYS 10 -11.022 3.893 9.826
58 2HB CYS 10 2HB CYS 10 -13.014 5.202 9.226
59 H ASN 11 H ASN 11 -11.566 5.106 11.745
60 HA ASN 11 HA ASN 11 -12.289 3.597 13.903
61 2HB ASN 11 2HB ASN 11 -12.703 6.620 13.716
62 1HD2 ASN 11 1HD2 ASN 11 -12.689 7.634 15.641
63 2HD2 ASN 11 2HD2 ASN 11 -12.653 6.846 17.183
64 H ASN 12 H ASN 12 -14.167 6.351 12.403
65 HA ASN 12 HA ASN 12 -16.551 4.866 12.399
66 2HB ASN 12 2HB ASN 12 -17.005 5.270 14.651
67 1HD2 ASN 12 1HD2 ASN 12 -15.287 5.275 15.963
68 2HD2 ASN 12 2HD2 ASN 12 -14.400 6.679 16.457
69 H LYS 13 H LYS 13 -15.513 8.314 13.025
70 HA LYS 13 HA LYS 13 -17.060 9.120 10.683
71 2HB LYS 13 2HB LYS 13 -17.559 10.249 12.799
72 2HG LYS 13 2HG LYS 13 -14.767 10.162 13.195
73 2HD LYS 13 2HD LYS 13 -15.614 12.779 12.107
74 2HE LYS 13 2HE LYS 13 -15.700 13.261 14.587
75 1HZ LYS 13 1HZ LYS 13 -13.080 13.292 15.211
76 2HZ LYS 13 2HZ LYS 13 -14.170 12.206 15.759
77 3HZ LYS 13 3HZ LYS 13 -13.244 11.851 14.461
78 H LYS 14 H LYS 14 -13.779 8.766 11.961
79 HA LYS 14 HA LYS 14 -12.681 10.300 9.758
80 2HB LYS 14 2HB LYS 14 -10.561 10.018 10.875
81 2HG LYS 14 2HG LYS 14 -12.813 10.534 12.876
82 2HD LYS 14 2HD LYS 14 -11.020 12.013 13.944
83 2HE LYS 14 2HE LYS 14 -9.791 10.054 15.011
84 1HZ LYS 14 1HZ LYS 14 -11.723 9.228 16.013
85 2HZ LYS 14 2HZ LYS 14 -12.063 10.782 15.647
86 3HZ LYS 14 3HZ LYS 14 -12.671 9.575 14.729
87 H CYS 15 H CYS 15 -10.256 8.509 9.676
88 HA CYS 15 HA CYS 15 -11.105 5.968 8.827
89 2HB CYS 15 2HB CYS 15 -10.148 6.741 6.364
90 H TRP 16 H TRP 16 -9.298 4.713 9.181
91 HA TRP 16 HA TRP 16 -6.686 5.900 8.630
92 2HB TRP 16 2HB TRP 16 -6.954 6.367 10.946
93 HD1 TRP 16 HD TRP 16 -7.852 2.579 10.613
94 HE1 TRP 16 1HE TRP 16 -9.274 1.779 12.686
95 HE3 TRP 16 3HE TRP 16 -7.601 6.980 13.147
96 HZ2 TRP 16 2HZ TRP 16 -10.115 3.049 15.100
97 HZ3 TRP 16 3HZ TRP 16 -8.749 7.115 15.355
98 HH2 TRP 16 HH TRP 16 -9.975 5.242 16.336
99 H VAL 17 H VAL 17 -5.142 3.716 9.515
100 HA VAL 17 HA VAL 17 -6.326 1.463 8.049
101 HB VAL 17 HB VAL 17 -3.682 2.830 7.731
102 1HG1 VAL 17 1HG1 VAL 17 -4.130 -0.096 7.758
103 2HG1 VAL 17 2HG1 VAL 17 -3.270 0.531 6.331
104 3HG1 VAL 17 3HG1 VAL 17 -2.630 0.842 7.963
105 1HG2 VAL 17 1HG2 VAL 17 -4.206 2.892 5.477
106 2HG2 VAL 17 2HG2 VAL 17 -5.257 1.459 5.569
107 3HG2 VAL 17 3HG2 VAL 17 -5.820 3.019 6.216
108 H ASN 18 H ASN 18 -6.506 -0.304 9.318
109 HA ASN 18 HA ASN 18 -6.171 -1.741 10.904
110 2HB ASN 18 2HB ASN 18 -3.453 -1.060 11.789
111 1HD2 ASN 18 1HD2 ASN 18 -2.271 -2.886 12.009
112 2HD2 ASN 18 2HD2 ASN 18 -2.836 -4.481 11.642
113 H ARG 19 H ARG 19 -7.292 -1.279 12.807
114 HA ARG 19 HA ARG 19 -7.159 1.116 14.104
115 2HB ARG 19 2HB ARG 19 -7.867 -0.886 16.039
116 2HG ARG 19 2HG ARG 19 -10.014 0.177 14.273
117 2HD ARG 19 2HD ARG 19 -10.968 0.873 16.409
118 HE ARG 19 HE ARG 19 -10.402 -1.782 15.919
119 1HH1 ARG 19 2HH2 ARG 19 -10.509 0.152 18.857
120 2HH1 ARG 19 1HH2 ARG 19 -10.963 -1.179 19.869
121 1HH2 ARG 19 2HH1 ARG 19 -11.001 -3.538 17.253
122 2HH2 ARG 19 1HH1 ARG 19 -11.246 -3.292 18.951
123 H GLY 20 H GLY 20 -5.104 -1.755 14.336
124 1HA GLY 20 1HA GLY 20 -4.027 -1.611 16.848
125 2HA GLY 20 2HA GLY 20 -3.157 -2.104 15.410
126 H GLU 21 H GLU 21 -2.104 -0.382 14.055
127 HA GLU 21 HA GLU 21 -0.495 1.204 15.544
128 2HB GLU 21 2HB GLU 21 0.021 0.652 13.234
129 2HG GLU 21 2HG GLU 21 -2.400 2.388 12.564
130 HE2 GLU 21 HE2 GLU 21 -1.671 3.625 10.623
131 H ALA 22 H ALA 22 -3.757 1.886 14.262
132 HA ALA 22 HA ALA 22 -3.772 4.642 14.532
133 1HB ALA 22 1HB ALA 22 -6.111 2.787 15.090
134 2HB ALA 22 2HB ALA 22 -6.149 4.430 14.407
135 3HB ALA 22 3HB ALA 22 -5.486 3.084 13.449
136 H THR 23 H THR 23 -4.582 2.038 16.919
137 HA THR 23 HA THR 23 -5.217 3.843 18.997
138 HB THR 23 HB THR 23 -4.552 0.884 18.748
139 HG1 THR 23 1HG THR 23 -6.852 0.954 19.477
140 1HG2 THR 23 1HG2 THR 23 -5.311 2.407 21.297
141 2HG2 THR 23 2HG2 THR 23 -5.226 0.636 21.130
142 3HG2 THR 23 3HG2 THR 23 -3.742 1.614 21.015
143 H GLN 24 H GLN 24 -2.180 2.171 18.029
144 HA GLN 24 HA GLN 24 -0.685 2.751 20.205
145 2HB GLN 24 2HB GLN 24 1.280 2.719 18.618
146 2HG GLN 24 2HG GLN 24 0.675 0.452 17.576
147 1HE2 GLN 24 1HE2 GLN 24 2.075 -0.592 18.759
148 2HE2 GLN 24 2HE2 GLN 24 2.052 -0.802 20.479
149 H SER 25 H SER 25 -0.834 4.778 17.180
150 HA SER 25 HA SER 25 -0.341 7.065 18.918
151 2HB SER 25 2HB SER 25 1.722 6.908 17.820
152 HG SER 25 HG SER 25 0.187 5.733 15.749
153 H ILE 26 H ILE 26 -1.573 8.943 18.448
154 HA ILE 26 HA ILE 26 -3.946 8.487 16.970
155 HB ILE 26 HB ILE 26 -2.762 10.849 18.404
156 2HG1 ILE 26 2HG1 ILE 26 -3.988 8.640 19.389
157 1HG2 ILE 26 1HG2 ILE 26 -4.743 12.131 17.976
158 2HG2 ILE 26 2HG2 ILE 26 -4.048 11.632 16.415
159 3HG2 ILE 26 3HG2 ILE 26 -5.476 10.791 17.064
160 1HD1 ILE 26 1HD1 ILE 26 -4.397 11.462 20.475
161 2HD1 ILE 26 2HD1 ILE 26 -4.370 9.947 21.410
162 3HD1 ILE 26 3HD1 ILE 26 -2.882 10.543 20.639
163 H ILE 27 H ILE 27 -1.012 10.555 16.469
164 HA ILE 27 HA ILE 27 -1.929 11.456 13.936
165 HB ILE 27 HB ILE 27 0.516 12.199 13.775
166 2HG1 ILE 27 2HG1 ILE 27 1.115 10.429 15.623
167 1HG2 ILE 27 1HG2 ILE 27 -0.815 13.965 14.254
168 2HG2 ILE 27 2HG2 ILE 27 -1.623 13.138 15.607
169 3HG2 ILE 27 3HG2 ILE 27 -0.005 13.844 15.834
170 1HD1 ILE 27 1HD1 ILE 27 2.608 12.730 16.460
171 2HD1 ILE 27 2HD1 ILE 27 3.107 11.455 15.323
172 3HD1 ILE 27 3HD1 ILE 27 2.279 12.910 14.719
173 H GLY 28 H GLY 28 0.086 8.759 15.140
174 1HA GLY 28 1HA GLY 28 0.388 6.761 14.033
175 2HA GLY 28 2HA GLY 28 -0.152 7.485 12.532
176 H GLY 29 H GLY 29 1.671 9.911 13.003
177 1HA GLY 29 1HA GLY 29 3.939 8.878 11.606
178 2HA GLY 29 2HA GLY 29 3.665 10.526 12.134
179 H MET 30 H MET 30 3.065 9.038 14.946
180 HA MET 30 HA MET 30 5.416 9.781 16.129
181 2HB MET 30 2HB MET 30 4.473 7.913 17.885
182 2HG MET 30 2HG MET 30 2.582 9.683 18.407
183 1HE MET 30 1HE MET 30 4.337 12.570 18.161
184 2HE MET 30 2HE MET 30 3.367 12.203 19.607
185 3HE MET 30 3HE MET 30 5.088 12.619 19.775
186 H ILE 31 H ILE 31 4.452 6.666 14.654
187 HA ILE 31 HA ILE 31 6.397 5.037 15.735
188 HB ILE 31 HB ILE 31 4.533 4.190 14.493
189 2HG1 ILE 31 2HG1 ILE 31 6.508 2.777 14.596
190 1HG2 ILE 31 1HG2 ILE 31 4.749 6.223 12.802
191 2HG2 ILE 31 2HG2 ILE 31 5.640 5.014 11.847
192 3HG2 ILE 31 3HG2 ILE 31 3.962 4.693 12.343
193 1HD1 ILE 31 1HD1 ILE 31 4.710 1.788 13.337
194 2HD1 ILE 31 2HD1 ILE 31 5.046 2.816 11.923
195 3HD1 ILE 31 3HD1 ILE 31 6.186 1.527 12.378
196 H SER 32 H SER 32 6.518 6.998 12.680
197 HA SER 32 HA SER 32 8.970 6.350 11.845
198 2HB SER 32 2HB SER 32 8.445 9.279 11.786
199 HG SER 32 HG SER 32 9.029 9.021 9.701
200 H GLY 33 H GLY 33 8.112 8.720 14.436
201 1HA GLY 33 1HA GLY 33 10.707 9.689 14.910
202 2HA GLY 33 2HA GLY 33 9.349 9.732 16.015
203 H TRP 34 H TRP 34 8.838 6.900 16.259
204 HA TRP 34 HA TRP 34 10.575 6.250 18.312
205 2HB TRP 34 2HB TRP 34 8.961 4.311 16.651
206 HD1 TRP 34 HD TRP 34 10.229 5.003 20.293
207 HE1 TRP 34 1HE TRP 34 10.559 2.733 21.597
208 HE3 TRP 34 3HE TRP 34 8.563 2.000 16.543
209 HZ2 TRP 34 2HZ TRP 34 10.098 -0.004 20.928
210 HZ3 TRP 34 3HZ TRP 34 8.535 -0.459 16.950
211 HH2 TRP 34 HH TRP 34 9.267 -1.469 19.052
212 H ALA 35 H ALA 35 10.416 4.987 14.899
213 HA ALA 35 HA ALA 35 12.728 3.433 15.104
214 1HB ALA 35 1HB ALA 35 10.860 3.351 13.365
215 2HB ALA 35 2HB ALA 35 11.641 4.751 12.593
216 3HB ALA 35 3HB ALA 35 12.517 3.208 12.732
217 H SER 36 H SER 36 12.159 6.884 14.332
218 HA SER 36 HA SER 36 14.648 7.425 13.286
219 2HB SER 36 2HB SER 36 13.614 9.635 14.902
220 HG SER 36 HG SER 36 14.726 10.089 12.990
221 H GLY 37 H GLY 37 13.470 7.151 16.658
222 1HA GLY 37 1HA GLY 37 15.810 8.256 17.870
223 2HA GLY 37 2HA GLY 37 14.521 7.360 18.649
224 H LEU 38 H LEU 38 14.560 4.906 17.244
225 HA LEU 38 HA LEU 38 16.649 3.596 18.550
226 2HB LEU 38 2HB LEU 38 15.878 1.626 17.372
227 HG LEU 38 HG LEU 38 13.752 3.468 18.419
228 1HD1 LEU 38 1HD1 LEU 38 13.313 1.040 16.748
229 2HD1 LEU 38 2HD1 LEU 38 12.287 1.259 18.185
230 3HD1 LEU 38 3HD1 LEU 38 12.330 2.514 16.923
231 1HD2 LEU 38 1HD2 LEU 38 15.237 1.061 19.342
232 2HD2 LEU 38 2HD2 LEU 38 14.723 2.514 20.234
233 3HD2 LEU 38 3HD2 LEU 38 13.545 1.231 19.869
234 H ALA 39 H ALA 39 16.175 4.460 15.060
235 HA ALA 39 HA ALA 39 18.667 3.409 14.266
236 1HB ALA 39 1HB ALA 39 17.771 3.833 12.247
237 2HB ALA 39 2HB ALA 39 16.357 4.523 13.079
238 3HB ALA 39 3HB ALA 39 17.704 5.578 12.590
239 H GLY 40 H GLY 40 17.645 6.381 15.847
240 1HA GLY 40 1HA GLY 40 19.889 7.971 15.077
241 2HA GLY 40 2HA GLY 40 18.738 8.292 16.359
242 H MET 41 H MET 41 21.516 6.108 15.532
243 HA MET 41 HA MET 41 22.020 5.773 18.349
244 2HB MET 41 2HB MET 41 23.999 4.670 16.431
245 2HG MET 41 2HG MET 41 23.537 3.897 18.834
246 1HE MET 41 1HE MET 41 21.449 2.770 20.754
247 2HE MET 41 2HE MET 41 22.070 4.351 20.221
248 3HE MET 41 3HE MET 41 20.316 4.047 20.250
Start of MODEL 8
1 1H ALA 1 1H ALA 1 -16.694 7.659 22.192
2 HA ALA 1 HA ALA 1 -16.403 7.376 20.013
3 1HB ALA 1 1HB ALA 1 -14.727 9.343 19.107
4 2HB ALA 1 2HB ALA 1 -16.448 9.587 19.484
5 3HB ALA 1 3HB ALA 1 -15.207 10.004 20.688
6 H ARG 2 H ARG 2 -15.344 5.678 19.130
7 HA ARG 2 HA ARG 2 -12.735 5.082 20.053
8 2HB ARG 2 2HB ARG 2 -13.221 3.339 17.935
9 2HG ARG 2 2HG ARG 2 -12.757 2.918 20.467
10 2HD ARG 2 2HD ARG 2 -15.175 4.015 20.924
11 HE ARG 2 HE ARG 2 -15.968 1.630 19.689
12 1HH1 ARG 2 2HH2 ARG 2 -16.421 3.106 22.851
13 2HH1 ARG 2 1HH2 ARG 2 -17.956 2.350 23.124
14 1HH2 ARG 2 2HH1 ARG 2 -17.992 0.633 20.049
15 2HH2 ARG 2 1HH1 ARG 2 -18.855 0.934 21.521
16 H SER 3 H SER 3 -10.926 4.510 18.417
17 HA SER 3 HA SER 3 -10.826 5.216 15.856
18 2HB SER 3 2HB SER 3 -9.523 7.628 16.687
19 HG SER 3 HG SER 3 -11.542 8.500 15.480
20 H TYR 4 H TYR 4 -9.188 5.741 19.028
21 HA TYR 4 HA TYR 4 -7.024 5.555 19.609
22 2HB TYR 4 2HB TYR 4 -6.263 3.116 18.832
23 HD1 TYR 4 1HD TYR 4 -9.929 3.158 19.410
24 HD2 TYR 4 2HD TYR 4 -6.058 2.803 21.197
25 HE1 TYR 4 1HE TYR 4 -10.996 2.383 21.583
26 HE2 TYR 4 2HE TYR 4 -7.139 2.029 23.365
27 HH TYR 4 HH TYR 4 -10.271 0.976 23.541
28 H GLY 5 H GLY 5 -7.391 6.973 17.010
29 1HA GLY 5 1HA GLY 5 -5.929 7.922 15.561
30 2HA GLY 5 2HA GLY 5 -4.651 6.885 16.164
31 H ASN 6 H ASN 6 -5.603 7.633 13.336
32 HA ASN 6 HA ASN 6 -5.495 6.630 11.403
33 2HB ASN 6 2HB ASN 6 -5.571 3.837 12.591
34 1HD2 ASN 6 1HD2 ASN 6 -3.642 6.114 10.635
35 2HD2 ASN 6 2HD2 ASN 6 -3.482 5.113 9.231
36 H GLY 7 H GLY 7 -7.231 4.222 13.535
37 1HA GLY 7 1HA GLY 7 -9.802 4.805 13.250
38 2HA GLY 7 2HA GLY 7 -9.462 4.145 11.662
39 H VAL 8 H VAL 8 -10.260 3.413 14.924
40 HA VAL 8 HA VAL 8 -9.304 0.668 14.703
41 HB VAL 8 HB VAL 8 -9.180 2.322 16.758
42 1HG1 VAL 8 1HG1 VAL 8 -11.924 1.057 17.054
43 2HG1 VAL 8 2HG1 VAL 8 -11.025 1.844 18.373
44 3HG1 VAL 8 3HG1 VAL 8 -11.542 2.793 16.958
45 1HG2 VAL 8 1HG2 VAL 8 -8.804 0.464 18.162
46 2HG2 VAL 8 2HG2 VAL 8 -9.987 -0.543 17.292
47 3HG2 VAL 8 3HG2 VAL 8 -8.439 -0.122 16.521
48 H TYR 9 H TYR 9 -12.304 2.646 14.915
49 HA TYR 9 HA TYR 9 -14.250 0.883 15.277
50 2HB TYR 9 2HB TYR 9 -14.941 3.072 14.675
51 HD1 TYR 9 1HD TYR 9 -13.163 4.696 14.874
52 HD2 TYR 9 2HD TYR 9 -13.705 2.509 11.237
53 HE1 TYR 9 1HE TYR 9 -11.592 6.292 13.672
54 HE2 TYR 9 2HE TYR 9 -12.131 4.113 10.047
55 HH TYR 9 HH TYR 9 -10.047 6.052 11.570
56 H CYS 10 H CYS 10 -12.395 1.245 12.190
57 HA CYS 10 HA CYS 10 -12.198 -0.059 10.438
58 2HB CYS 10 2HB CYS 10 -12.893 -2.204 12.447
59 H ASN 11 H ASN 11 -13.488 -1.435 8.816
60 HA ASN 11 HA ASN 11 -16.291 -0.754 9.148
61 2HB ASN 11 2HB ASN 11 -14.519 -1.279 6.723
62 1HD2 ASN 11 1HD2 ASN 11 -15.386 -2.685 5.388
63 2HD2 ASN 11 2HD2 ASN 11 -17.039 -2.750 4.874
64 H ASN 12 H ASN 12 -14.624 -3.202 7.050
65 HA ASN 12 HA ASN 12 -15.484 -5.378 8.616
66 2HB ASN 12 2HB ASN 12 -16.932 -6.333 6.651
67 1HD2 ASN 12 1HD2 ASN 12 -18.203 -3.158 7.080
68 2HD2 ASN 12 2HD2 ASN 12 -19.302 -3.482 8.380
69 H LYS 13 H LYS 13 -15.376 -4.928 5.007
70 HA LYS 13 HA LYS 13 -13.153 -6.809 4.915
71 2HB LYS 13 2HB LYS 13 -15.155 -7.249 3.541
72 2HG LYS 13 2HG LYS 13 -15.321 -4.582 3.090
73 2HD LYS 13 2HD LYS 13 -13.410 -5.668 1.069
74 2HE LYS 13 2HE LYS 13 -15.436 -5.448 -0.339
75 1HZ LYS 13 1HZ LYS 13 -16.853 -3.808 -0.017
76 2HZ LYS 13 2HZ LYS 13 -16.047 -3.415 1.349
77 3HZ LYS 13 3HZ LYS 13 -15.699 -2.654 -0.053
78 H LYS 14 H LYS 14 -14.049 -3.416 4.256
79 HA LYS 14 HA LYS 14 -11.649 -2.809 2.873
80 2HB LYS 14 2HB LYS 14 -12.392 -0.516 3.029
81 2HG LYS 14 2HG LYS 14 -14.710 -2.476 2.681
82 2HD LYS 14 2HD LYS 14 -15.624 -0.618 1.196
83 2HE LYS 14 2HE LYS 14 -15.914 0.930 3.491
84 1HZ LYS 14 1HZ LYS 14 -17.578 -1.228 3.741
85 2HZ LYS 14 2HZ LYS 14 -17.909 0.185 2.994
86 3HZ LYS 14 3HZ LYS 14 -17.323 -1.075 2.136
87 H CYS 15 H CYS 15 -12.815 -2.092 6.242
88 HA CYS 15 HA CYS 15 -11.701 -1.492 8.049
89 2HB CYS 15 2HB CYS 15 -9.409 -3.280 7.464
90 H TRP 16 H TRP 16 -11.110 -0.038 5.469
91 HA TRP 16 HA TRP 16 -9.790 1.590 4.760
92 2HB TRP 16 2HB TRP 16 -8.026 2.442 6.487
93 HD1 TRP 16 HD TRP 16 -9.095 4.823 6.150
94 HE1 TRP 16 1HE TRP 16 -11.314 6.084 6.817
95 HE3 TRP 16 3HE TRP 16 -11.490 0.728 7.982
96 HZ2 TRP 16 2HZ TRP 16 -13.767 5.246 8.012
97 HZ3 TRP 16 3HZ TRP 16 -13.795 1.037 8.881
98 HH2 TRP 16 HH TRP 16 -14.933 3.200 8.915
99 H VAL 17 H VAL 17 -8.936 0.161 3.118
100 HA VAL 17 HA VAL 17 -7.062 -1.740 3.323
101 HB VAL 17 HB VAL 17 -6.289 -0.939 1.046
102 1HG1 VAL 17 1HG1 VAL 17 -9.300 -1.140 1.293
103 2HG1 VAL 17 2HG1 VAL 17 -8.254 -1.714 -0.028
104 3HG1 VAL 17 3HG1 VAL 17 -8.218 -2.528 1.554
105 1HG2 VAL 17 1HG2 VAL 17 -8.053 1.340 1.844
106 2HG2 VAL 17 2HG2 VAL 17 -6.563 1.329 0.870
107 3HG2 VAL 17 3HG2 VAL 17 -8.101 0.798 0.149
108 H ASN 18 H ASN 18 -6.300 1.788 2.858
109 HA ASN 18 HA ASN 18 -3.922 1.309 4.439
110 2HB ASN 18 2HB ASN 18 -3.244 3.215 2.384
111 1HD2 ASN 18 1HD2 ASN 18 -1.143 3.041 2.133
112 2HD2 ASN 18 2HD2 ASN 18 -0.161 1.663 2.504
113 H ARG 19 H ARG 19 -3.784 2.943 5.997
114 HA ARG 19 HA ARG 19 -5.391 5.308 5.477
115 2HB ARG 19 2HB ARG 19 -5.148 5.575 8.064
116 2HG ARG 19 2HG ARG 19 -6.566 3.010 7.744
117 2HD ARG 19 2HD ARG 19 -7.122 4.681 9.493
118 HE ARG 19 HE ARG 19 -6.747 6.636 7.623
119 1HH1 ARG 19 2HH2 ARG 19 -9.603 5.664 9.435
120 2HH1 ARG 19 1HH2 ARG 19 -10.301 7.250 9.432
121 1HH2 ARG 19 2HH1 ARG 19 -7.667 8.728 7.619
122 2HH2 ARG 19 1HH1 ARG 19 -9.193 9.004 8.392
123 H GLY 20 H GLY 20 -2.303 4.182 7.037
124 1HA GLY 20 1HA GLY 20 -0.764 6.252 5.853
125 2HA GLY 20 2HA GLY 20 -1.151 6.656 7.514
126 H GLU 21 H GLU 21 0.657 6.249 8.727
127 HA GLU 21 HA GLU 21 2.419 4.163 8.011
128 2HB GLU 21 2HB GLU 21 3.395 6.097 9.015
129 2HG GLU 21 2HG GLU 21 2.385 6.066 11.703
130 HE2 GLU 21 HE2 GLU 21 0.696 8.606 11.097
131 H ALA 22 H ALA 22 -0.550 4.280 9.718
132 HA ALA 22 HA ALA 22 -0.146 2.494 11.796
133 1HB ALA 22 1HB ALA 22 -2.657 2.018 11.347
134 2HB ALA 22 2HB ALA 22 -2.180 3.688 11.739
135 3HB ALA 22 3HB ALA 22 -2.509 3.230 10.051
136 H THR 23 H THR 23 -1.146 1.882 8.358
137 HA THR 23 HA THR 23 -1.067 -0.951 8.725
138 HB THR 23 HB THR 23 -2.589 0.182 7.114
139 HG1 THR 23 1HG THR 23 -1.523 -1.991 6.734
140 1HG2 THR 23 1HG2 THR 23 -1.106 2.065 6.394
141 2HG2 THR 23 2HG2 THR 23 0.017 0.891 5.664
142 3HG2 THR 23 3HG2 THR 23 -1.621 1.091 4.995
143 H GLN 24 H GLN 24 1.191 1.552 7.518
144 HA GLN 24 HA GLN 24 2.985 0.004 6.248
145 2HB GLN 24 2HB GLN 24 4.719 1.695 7.177
146 2HG GLN 24 2HG GLN 24 2.464 3.344 6.183
147 1HE2 GLN 24 1HE2 GLN 24 3.445 3.239 3.505
148 2HE2 GLN 24 2HE2 GLN 24 5.016 3.969 3.463
149 H SER 25 H SER 25 3.011 0.773 9.806
150 HA SER 25 HA SER 25 4.758 -1.533 10.123
151 2HB SER 25 2HB SER 25 5.818 0.379 11.055
152 HG SER 25 HG SER 25 3.321 0.973 12.404
153 H ILE 26 H ILE 26 4.027 -3.331 11.248
154 HA ILE 26 HA ILE 26 1.271 -3.458 11.887
155 HB ILE 26 HB ILE 26 1.901 -5.737 12.717
156 2HG1 ILE 26 2HG1 ILE 26 4.537 -4.594 12.643
157 1HG2 ILE 26 1HG2 ILE 26 1.716 -4.708 10.113
158 2HG2 ILE 26 2HG2 ILE 26 3.086 -5.843 10.086
159 3HG2 ILE 26 3HG2 ILE 26 1.486 -6.392 10.638
160 1HD1 ILE 26 1HD1 ILE 26 4.102 -7.498 13.204
161 2HD1 ILE 26 2HD1 ILE 26 4.938 -6.264 14.177
162 3HD1 ILE 26 3HD1 ILE 26 3.160 -6.358 14.195
163 H ILE 27 H ILE 27 4.306 -2.995 13.734
164 HA ILE 27 HA ILE 27 3.265 -3.412 16.271
165 HB ILE 27 HB ILE 27 5.681 -3.104 15.429
166 2HG1 ILE 27 2HG1 ILE 27 4.513 -3.130 17.922
167 1HG2 ILE 27 1HG2 ILE 27 4.958 -0.647 14.706
168 2HG2 ILE 27 2HG2 ILE 27 5.462 -0.285 16.375
169 3HG2 ILE 27 3HG2 ILE 27 6.611 -1.036 15.240
170 1HD1 ILE 27 1HD1 ILE 27 7.486 -2.806 17.813
171 2HD1 ILE 27 2HD1 ILE 27 6.509 -4.102 18.545
172 3HD1 ILE 27 3HD1 ILE 27 6.790 -4.085 16.787
173 H GLY 28 H GLY 28 3.103 -0.611 14.058
174 1HA GLY 28 1HA GLY 28 0.924 0.601 14.506
175 2HA GLY 28 2HA GLY 28 1.573 0.858 16.114
176 H GLY 29 H GLY 29 1.061 2.458 13.327
177 1HA GLY 29 1HA GLY 29 3.610 3.633 12.788
178 2HA GLY 29 2HA GLY 29 2.043 4.157 12.204
179 H MET 30 H MET 30 0.596 4.727 14.506
180 HA MET 30 HA MET 30 1.547 7.225 15.151
181 2HB MET 30 2HB MET 30 -0.166 6.704 17.215
182 2HG MET 30 2HG MET 30 -1.695 6.621 14.707
183 1HE MET 30 1HE MET 30 -1.556 9.816 14.493
184 2HE MET 30 2HE MET 30 -2.212 10.685 15.902
185 3HE MET 30 3HE MET 30 -0.506 10.178 15.884
186 H ILE 31 H ILE 31 1.587 4.160 17.100
187 HA ILE 31 HA ILE 31 2.775 5.205 19.360
188 HB ILE 31 HB ILE 31 1.747 3.042 19.310
189 2HG1 ILE 31 2HG1 ILE 31 3.431 3.414 21.024
190 1HG2 ILE 31 1HG2 ILE 31 2.738 2.631 16.888
191 2HG2 ILE 31 2HG2 ILE 31 3.997 1.775 17.811
192 3HG2 ILE 31 3HG2 ILE 31 2.292 1.284 17.962
193 1HD1 ILE 31 1HD1 ILE 31 4.184 1.012 21.348
194 2HD1 ILE 31 2HD1 ILE 31 2.440 1.194 21.047
195 3HD1 ILE 31 3HD1 ILE 31 3.515 0.648 19.739
196 H SER 32 H SER 32 4.349 3.638 16.486
197 HA SER 32 HA SER 32 6.898 3.759 17.228
198 2HB SER 32 2HB SER 32 6.132 4.732 14.461
199 HG SER 32 HG SER 32 7.941 3.642 13.852
200 H GLY 33 H GLY 33 4.814 6.494 16.227
201 1HA GLY 33 1HA GLY 33 6.909 8.412 15.996
202 2HA GLY 33 2HA GLY 33 5.187 8.718 16.106
203 H TRP 34 H TRP 34 4.644 7.376 18.617
204 HA TRP 34 HA TRP 34 5.209 9.433 20.396
205 2HB TRP 34 2HB TRP 34 4.516 6.582 21.109
206 HD1 TRP 34 HD TRP 34 3.948 10.305 22.188
207 HE1 TRP 34 1HE TRP 34 3.588 10.459 24.799
208 HE3 TRP 34 3HE TRP 34 4.166 5.298 23.044
209 HZ2 TRP 34 2HZ TRP 34 3.437 8.514 26.881
210 HZ3 TRP 34 3HZ TRP 34 3.903 4.508 25.394
211 HH2 TRP 34 HH TRP 34 3.550 6.026 27.278
212 H ALA 35 H ALA 35 6.594 6.070 20.169
213 HA ALA 35 HA ALA 35 8.528 6.445 22.133
214 1HB ALA 35 1HB ALA 35 9.440 4.389 21.318
215 2HB ALA 35 2HB ALA 35 7.682 4.286 21.059
216 3HB ALA 35 3HB ALA 35 8.764 4.650 19.692
217 H SER 36 H SER 36 8.480 7.180 18.620
218 HA SER 36 HA SER 36 11.172 7.631 18.314
219 2HB SER 36 2HB SER 36 9.831 9.504 16.659
220 HG SER 36 HG SER 36 10.948 6.916 16.417
221 H GLY 37 H GLY 37 8.544 9.684 19.622
222 1HA GLY 37 1HA GLY 37 10.067 12.100 19.678
223 2HA GLY 37 2HA GLY 37 8.543 11.775 20.480
224 H LEU 38 H LEU 38 9.159 9.568 22.118
225 HA LEU 38 HA LEU 38 10.378 10.839 24.281
226 2HB LEU 38 2HB LEU 38 10.155 8.724 25.403
227 HG LEU 38 HG LEU 38 7.880 9.508 23.621
228 1HD1 LEU 38 1HD1 LEU 38 7.102 7.419 23.521
229 2HD1 LEU 38 2HD1 LEU 38 8.266 6.829 24.732
230 3HD1 LEU 38 3HD1 LEU 38 6.749 7.600 25.256
231 1HD2 LEU 38 1HD2 LEU 38 7.901 10.867 25.469
232 2HD2 LEU 38 2HD2 LEU 38 6.834 9.559 26.033
233 3HD2 LEU 38 3HD2 LEU 38 8.540 9.596 26.540
234 H ALA 39 H ALA 39 11.589 8.271 22.024
235 HA ALA 39 HA ALA 39 14.131 8.135 23.221
236 1HB ALA 39 1HB ALA 39 14.065 7.474 20.376
237 2HB ALA 39 2HB ALA 39 14.324 6.414 21.782
238 3HB ALA 39 3HB ALA 39 12.670 6.786 21.242
239 H GLY 40 H GLY 40 12.603 10.350 20.932
240 1HA GLY 40 1HA GLY 40 15.067 11.403 19.887
241 2HA GLY 40 2HA GLY 40 13.446 12.026 19.653
242 H MET 41 H MET 41 15.778 11.546 22.411
243 HA MET 41 HA MET 41 14.725 13.582 23.946
244 2HB MET 41 2HB MET 41 17.315 13.490 24.796
245 2HG MET 41 2HG MET 41 15.838 10.896 25.155
246 1HE MET 41 1HE MET 41 15.136 13.178 27.869
247 2HE MET 41 2HE MET 41 16.632 13.441 28.798
248 3HE MET 41 3HE MET 41 16.397 14.265 27.237
Start of MODEL 9
1 1H ALA 1 1H ALA 1 -18.123 0.172 23.217
2 HA ALA 1 HA ALA 1 -17.438 3.010 23.364
3 1HB ALA 1 1HB ALA 1 -15.234 2.342 23.233
4 2HB ALA 1 2HB ALA 1 -15.933 0.881 23.971
5 3HB ALA 1 3HB ALA 1 -15.608 0.927 22.221
6 H ARG 2 H ARG 2 -16.156 3.728 21.238
7 HA ARG 2 HA ARG 2 -18.104 3.610 19.214
8 2HB ARG 2 2HB ARG 2 -15.317 4.641 18.668
9 2HG ARG 2 2HG ARG 2 -18.092 5.149 17.794
10 2HD ARG 2 2HD ARG 2 -16.298 7.446 18.669
11 HE ARG 2 HE ARG 2 -17.960 7.338 16.264
12 1HH1 ARG 2 2HH2 ARG 2 -16.748 9.431 18.820
13 2HH1 ARG 2 1HH2 ARG 2 -16.928 10.883 17.893
14 1HH2 ARG 2 2HH1 ARG 2 -18.196 9.253 15.039
15 2HH2 ARG 2 1HH1 ARG 2 -17.757 10.781 15.727
16 H SER 3 H SER 3 -17.233 3.249 16.789
17 HA SER 3 HA SER 3 -15.147 1.710 16.154
18 2HB SER 3 2HB SER 3 -17.362 0.047 17.338
19 HG SER 3 HG SER 3 -17.367 -1.073 15.472
20 H TYR 4 H TYR 4 -18.675 0.931 15.686
21 HA TYR 4 HA TYR 4 -19.826 0.708 13.771
22 2HB TYR 4 2HB TYR 4 -19.928 3.013 12.624
23 HD1 TYR 4 1HD TYR 4 -22.096 2.619 13.812
24 HD2 TYR 4 2HD TYR 4 -18.658 4.171 15.831
25 HE1 TYR 4 1HE TYR 4 -23.571 3.426 15.719
26 HE2 TYR 4 2HE TYR 4 -20.145 4.973 17.730
27 HH TYR 4 HH TYR 4 -22.812 3.932 18.491
28 H GLY 5 H GLY 5 -17.223 -0.493 13.488
29 1HA GLY 5 1HA GLY 5 -16.741 -1.491 11.289
30 2HA GLY 5 2HA GLY 5 -16.651 0.139 10.652
31 H ASN 6 H ASN 6 -14.440 -0.224 9.959
32 HA ASN 6 HA ASN 6 -12.544 -0.755 12.055
33 2HB ASN 6 2HB ASN 6 -11.006 -0.268 9.837
34 1HD2 ASN 6 1HD2 ASN 6 -10.589 -1.781 11.832
35 2HD2 ASN 6 2HD2 ASN 6 -10.690 -3.478 11.505
36 H GLY 7 H GLY 7 -13.707 1.838 9.862
37 1HA GLY 7 1HA GLY 7 -11.650 3.704 10.759
38 2HA GLY 7 2HA GLY 7 -12.858 3.960 9.515
39 H VAL 8 H VAL 8 -14.089 5.695 10.128
40 HA VAL 8 HA VAL 8 -15.550 6.888 11.285
41 HB VAL 8 HB VAL 8 -15.683 4.601 13.254
42 1HG1 VAL 8 1HG1 VAL 8 -17.071 7.140 12.986
43 2HG1 VAL 8 2HG1 VAL 8 -18.206 5.770 12.905
44 3HG1 VAL 8 3HG1 VAL 8 -17.123 5.947 14.307
45 1HG2 VAL 8 1HG2 VAL 8 -17.490 4.945 10.854
46 2HG2 VAL 8 2HG2 VAL 8 -16.005 3.964 10.792
47 3HG2 VAL 8 3HG2 VAL 8 -17.310 3.532 11.922
48 H TYR 9 H TYR 9 -13.598 5.062 13.758
49 HA TYR 9 HA TYR 9 -13.116 7.590 15.117
50 2HB TYR 9 2HB TYR 9 -13.796 5.604 16.430
51 HD1 TYR 9 1HD TYR 9 -14.478 3.620 15.207
52 HD2 TYR 9 2HD TYR 9 -10.337 4.436 15.904
53 HE1 TYR 9 1HE TYR 9 -13.886 1.242 14.526
54 HE2 TYR 9 2HE TYR 9 -9.759 2.057 15.221
55 HH TYR 9 HH TYR 9 -10.810 0.304 13.750
56 H CYS 10 H CYS 10 -11.335 4.877 13.522
57 HA CYS 10 HA CYS 10 -9.225 4.669 12.920
58 2HB CYS 10 2HB CYS 10 -8.247 6.568 11.669
59 H ASN 11 H ASN 11 -6.910 6.218 13.058
60 HA ASN 11 HA ASN 11 -6.710 6.586 15.933
61 2HB ASN 11 2HB ASN 11 -4.208 6.576 14.310
62 1HD2 ASN 11 1HD2 ASN 11 -3.123 7.045 16.128
63 2HD2 ASN 11 2HD2 ASN 11 -3.044 6.040 17.536
64 H ASN 12 H ASN 12 -4.974 7.804 12.960
65 HA ASN 12 HA ASN 12 -5.715 10.482 13.587
66 2HB ASN 12 2HB ASN 12 -3.847 10.778 14.932
67 1HD2 ASN 12 1HD2 ASN 12 -1.426 9.716 12.866
68 2HD2 ASN 12 2HD2 ASN 12 -0.969 8.244 13.657
69 H LYS 13 H LYS 13 -2.891 8.842 11.957
70 HA LYS 13 HA LYS 13 -3.678 10.152 9.468
71 2HB LYS 13 2HB LYS 13 -1.091 9.032 10.529
72 2HG LYS 13 2HG LYS 13 -0.410 9.952 8.060
73 2HD LYS 13 2HD LYS 13 -0.583 7.458 7.322
74 2HE LYS 13 2HE LYS 13 0.809 8.194 9.943
75 1HZ LYS 13 1HZ LYS 13 1.634 6.144 8.033
76 2HZ LYS 13 2HZ LYS 13 2.105 6.342 9.584
77 3HZ LYS 13 3HZ LYS 13 0.609 5.778 9.250
78 H LYS 14 H LYS 14 -3.423 7.026 11.100
79 HA LYS 14 HA LYS 14 -3.690 5.554 8.641
80 2HB LYS 14 2HB LYS 14 -3.407 3.640 9.939
81 2HG LYS 14 2HG LYS 14 -1.687 5.819 10.372
82 2HD LYS 14 2HD LYS 14 -2.610 6.154 12.642
83 2HE LYS 14 2HE LYS 14 -2.878 3.326 12.619
84 1HZ LYS 14 1HZ LYS 14 -1.722 3.092 14.889
85 2HZ LYS 14 2HZ LYS 14 -0.857 2.863 13.523
86 3HZ LYS 14 3HZ LYS 14 -0.735 4.272 14.341
87 H CYS 15 H CYS 15 -5.581 3.600 10.036
88 HA CYS 15 HA CYS 15 -7.954 4.701 10.720
89 2HB CYS 15 2HB CYS 15 -8.920 4.180 8.169
90 H TRP 16 H TRP 16 -6.386 2.438 11.305
91 HA TRP 16 HA TRP 16 -6.402 0.224 11.465
92 2HB TRP 16 2HB TRP 16 -8.919 -0.692 11.222
93 HD1 TRP 16 HD TRP 16 -8.884 -1.942 13.506
94 HE1 TRP 16 1HE TRP 16 -8.352 -1.436 16.040
95 HE3 TRP 16 3HE TRP 16 -7.544 2.912 12.800
96 HZ2 TRP 16 2HZ TRP 16 -7.451 0.885 17.435
97 HZ3 TRP 16 3HZ TRP 16 -6.851 4.228 14.801
98 HH2 TRP 16 HH TRP 16 -6.791 3.289 17.056
99 H VAL 17 H VAL 17 -7.512 -1.912 10.235
100 HA VAL 17 HA VAL 17 -7.694 -3.078 8.359
101 HB VAL 17 HB VAL 17 -7.708 -0.605 6.665
102 1HG1 VAL 17 1HG1 VAL 17 -7.855 -2.666 5.460
103 2HG1 VAL 17 2HG1 VAL 17 -9.103 -3.296 6.563
104 3HG1 VAL 17 3HG1 VAL 17 -9.483 -1.944 5.469
105 1HG2 VAL 17 1HG2 VAL 17 -10.336 -0.831 7.207
106 2HG2 VAL 17 2HG2 VAL 17 -9.671 -1.320 8.784
107 3HG2 VAL 17 3HG2 VAL 17 -9.249 0.265 8.094
108 H ASN 18 H ASN 18 -5.158 -1.683 9.538
109 HA ASN 18 HA ASN 18 -3.389 -2.943 7.796
110 2HB ASN 18 2HB ASN 18 -2.687 -0.031 7.836
111 1HD2 ASN 18 1HD2 ASN 18 -0.722 -1.363 7.578
112 2HD2 ASN 18 2HD2 ASN 18 -0.266 -1.885 5.992
113 H ARG 19 H ARG 19 -3.928 -3.103 10.553
114 HA ARG 19 HA ARG 19 -2.091 -1.394 11.919
115 2HB ARG 19 2HB ARG 19 -2.829 -2.994 13.897
116 2HG ARG 19 2HG ARG 19 -4.608 -1.054 12.381
117 2HD ARG 19 2HD ARG 19 -6.158 -1.085 14.322
118 HE ARG 19 HE ARG 19 -6.090 -3.076 12.373
119 1HH1 ARG 19 2HH2 ARG 19 -7.136 -2.915 15.729
120 2HH1 ARG 19 1HH2 ARG 19 -8.352 -4.134 15.542
121 1HH2 ARG 19 2HH1 ARG 19 -7.695 -4.684 12.126
122 2HH2 ARG 19 1HH1 ARG 19 -8.673 -5.147 13.478
123 H GLY 20 H GLY 20 -2.548 -4.983 11.469
124 1HA GLY 20 1HA GLY 20 -0.183 -5.825 12.651
125 2HA GLY 20 2HA GLY 20 -1.077 -6.679 11.409
126 H GLU 21 H GLU 21 -0.866 -5.291 9.110
127 HA GLU 21 HA GLU 21 1.619 -5.854 8.205
128 2HB GLU 21 2HB GLU 21 1.036 -4.500 6.225
129 2HG GLU 21 2HG GLU 21 -1.045 -5.575 5.649
130 HE2 GLU 21 HE2 GLU 21 1.270 -7.664 5.543
131 H ALA 22 H ALA 22 0.465 -2.950 9.892
132 HA ALA 22 HA ALA 22 2.495 -1.191 9.162
133 1HB ALA 22 1HB ALA 22 1.294 0.161 10.501
134 2HB ALA 22 2HB ALA 22 0.235 -1.230 10.838
135 3HB ALA 22 3HB ALA 22 1.603 -0.871 11.918
136 H THR 23 H THR 23 2.221 -3.460 11.984
137 HA THR 23 HA THR 23 4.861 -2.858 12.883
138 HB THR 23 HB THR 23 2.810 -3.663 14.244
139 HG1 THR 23 1HG THR 23 4.623 -3.955 15.485
140 1HG2 THR 23 1HG2 THR 23 3.186 -5.965 12.491
141 2HG2 THR 23 2HG2 THR 23 3.511 -6.435 14.176
142 3HG2 THR 23 3HG2 THR 23 1.943 -5.716 13.740
143 H GLN 24 H GLN 24 3.489 -4.994 10.466
144 HA GLN 24 HA GLN 24 5.477 -6.925 10.507
145 2HB GLN 24 2HB GLN 24 4.720 -7.270 8.061
146 2HG GLN 24 2HG GLN 24 2.270 -7.770 8.863
147 1HE2 GLN 24 1HE2 GLN 24 2.031 -9.886 9.132
148 2HE2 GLN 24 2HE2 GLN 24 3.272 -11.005 9.585
149 H SER 25 H SER 25 5.099 -3.945 8.460
150 HA SER 25 HA SER 25 7.341 -4.219 6.973
151 2HB SER 25 2HB SER 25 7.314 -1.543 7.196
152 HG SER 25 HG SER 25 6.514 -2.740 5.343
153 H ILE 26 H ILE 26 9.564 -3.820 7.243
154 HA ILE 26 HA ILE 26 10.627 -4.040 9.788
155 HB ILE 26 HB ILE 26 11.814 -3.103 7.179
156 2HG1 ILE 26 2HG1 ILE 26 10.857 -5.521 7.640
157 1HG2 ILE 26 1HG2 ILE 26 13.410 -3.993 9.581
158 2HG2 ILE 26 2HG2 ILE 26 13.973 -3.202 8.089
159 3HG2 ILE 26 3HG2 ILE 26 13.022 -2.282 9.279
160 1HD1 ILE 26 1HD1 ILE 26 13.690 -5.393 6.577
161 2HD1 ILE 26 2HD1 ILE 26 12.303 -6.324 5.962
162 3HD1 ILE 26 3HD1 ILE 26 12.375 -4.563 5.711
163 H ILE 27 H ILE 27 10.004 -1.145 7.730
164 HA ILE 27 HA ILE 27 11.247 0.685 9.436
165 HB ILE 27 HB ILE 27 9.141 0.881 7.305
166 2HG1 ILE 27 2HG1 ILE 27 11.774 0.491 7.048
167 1HG2 ILE 27 1HG2 ILE 27 10.341 3.240 8.775
168 2HG2 ILE 27 2HG2 ILE 27 9.151 3.275 7.453
169 3HG2 ILE 27 3HG2 ILE 27 8.697 2.614 9.042
170 1HD1 ILE 27 1HD1 ILE 27 9.657 1.341 5.401
171 2HD1 ILE 27 2HD1 ILE 27 10.941 2.541 5.126
172 3HD1 ILE 27 3HD1 ILE 27 11.267 0.812 4.860
173 H GLY 28 H GLY 28 8.017 -0.838 9.426
174 1HA GLY 28 1HA GLY 28 6.506 -0.992 11.099
175 2HA GLY 28 2HA GLY 28 7.618 -0.164 12.170
176 H GLY 29 H GLY 29 4.721 0.097 10.330
177 1HA GLY 29 1HA GLY 29 4.720 2.923 9.904
178 2HA GLY 29 2HA GLY 29 3.364 1.820 9.780
179 H MET 30 H MET 30 3.186 0.688 12.327
180 HA MET 30 HA MET 30 1.864 2.691 13.698
181 2HB MET 30 2HB MET 30 2.263 0.801 15.632
182 2HG MET 30 2HG MET 30 0.548 -0.621 14.018
183 1HE MET 30 1HE MET 30 -0.695 -1.132 16.473
184 2HE MET 30 2HE MET 30 0.972 -0.549 16.694
185 3HE MET 30 3HE MET 30 -0.341 0.109 17.699
186 H ILE 31 H ILE 31 5.084 1.135 14.310
187 HA ILE 31 HA ILE 31 5.689 2.478 16.641
188 HB ILE 31 HB ILE 31 6.917 0.566 15.844
189 2HG1 ILE 31 2HG1 ILE 31 8.039 2.041 17.417
190 1HG2 ILE 31 1HG2 ILE 31 6.778 1.157 13.413
191 2HG2 ILE 31 2HG2 ILE 31 8.102 2.317 13.679
192 3HG2 ILE 31 3HG2 ILE 31 8.373 0.580 13.953
193 1HD1 ILE 31 1HD1 ILE 31 9.344 0.123 16.583
194 2HD1 ILE 31 2HD1 ILE 31 9.875 1.075 15.176
195 3HD1 ILE 31 3HD1 ILE 31 10.412 1.528 16.812
196 H SER 32 H SER 32 6.532 3.379 13.223
197 HA SER 32 HA SER 32 7.880 5.627 13.657
198 2HB SER 32 2HB SER 32 5.696 5.725 11.578
199 HG SER 32 HG SER 32 8.495 6.375 11.747
200 H GLY 33 H GLY 33 4.344 5.140 13.989
201 1HA GLY 33 1HA GLY 33 3.665 7.887 14.271
202 2HA GLY 33 2HA GLY 33 2.689 6.496 14.700
203 H TRP 34 H TRP 34 4.508 5.213 16.555
204 HA TRP 34 HA TRP 34 3.806 6.506 18.902
205 2HB TRP 34 2HB TRP 34 6.105 4.583 18.530
206 HD1 TRP 34 HD TRP 34 3.271 5.585 21.048
207 HE1 TRP 34 1HE TRP 34 4.067 5.182 23.531
208 HE3 TRP 34 3HE TRP 34 7.820 3.665 19.834
209 HZ2 TRP 34 2HZ TRP 34 6.456 4.129 24.683
210 HZ3 TRP 34 3HZ TRP 34 9.324 2.974 21.698
211 HH2 TRP 34 HH TRP 34 8.705 3.180 24.054
212 H ALA 35 H ALA 35 6.958 6.399 17.096
213 HA ALA 35 HA ALA 35 8.291 8.133 18.854
214 1HB ALA 35 1HB ALA 35 8.853 7.691 15.900
215 2HB ALA 35 2HB ALA 35 10.010 8.135 17.178
216 3HB ALA 35 3HB ALA 35 9.280 6.512 17.164
217 H SER 36 H SER 36 6.196 8.621 15.994
218 HA SER 36 HA SER 36 6.853 11.262 15.538
219 2HB SER 36 2HB SER 36 4.020 10.682 15.054
220 HG SER 36 HG SER 36 6.267 10.868 13.235
221 H GLY 37 H GLY 37 4.633 9.691 17.865
222 1HA GLY 37 1HA GLY 37 3.308 12.093 18.668
223 2HA GLY 37 2HA GLY 37 3.274 10.533 19.465
224 H LEU 38 H LEU 38 5.972 10.038 20.043
225 HA LEU 38 HA LEU 38 6.328 11.510 22.362
226 2HB LEU 38 2HB LEU 38 8.472 10.415 22.511
227 HG LEU 38 HG LEU 38 6.190 8.761 21.507
228 1HD1 LEU 38 1HD1 LEU 38 7.961 6.817 22.216
229 2HD1 LEU 38 2HD1 LEU 38 7.593 7.299 20.542
230 3HD1 LEU 38 3HD1 LEU 38 9.025 7.964 21.366
231 1HD2 LEU 38 1HD2 LEU 38 5.839 8.970 23.718
232 2HD2 LEU 38 2HD2 LEU 38 7.036 7.657 23.838
233 3HD2 LEU 38 3HD2 LEU 38 7.544 9.348 24.066
234 H ALA 39 H ALA 39 7.953 11.813 19.135
235 HA ALA 39 HA ALA 39 9.522 14.017 19.915
236 1HB ALA 39 1HB ALA 39 10.456 13.479 17.946
237 2HB ALA 39 2HB ALA 39 9.131 12.332 17.635
238 3HB ALA 39 3HB ALA 39 8.991 14.022 17.093
239 H GLY 40 H GLY 40 6.163 13.614 18.919
240 1HA GLY 40 1HA GLY 40 5.749 16.318 18.082
241 2HA GLY 40 2HA GLY 40 4.533 15.103 18.422
242 H MET 41 H MET 41 7.033 17.061 20.203
243 HA MET 41 HA MET 41 5.799 16.865 22.656
244 2HB MET 41 2HB MET 41 7.083 19.360 22.660
245 2HG MET 41 2HG MET 41 7.741 16.584 23.368
246 1HE MET 41 1HE MET 41 10.888 17.355 24.786
247 2HE MET 41 2HE MET 41 9.881 15.924 24.463
248 3HE MET 41 3HE MET 41 11.475 16.082 23.689
Start of MODEL 10
1 1H ALA 1 1H ALA 1 -20.819 9.188 10.015
2 HA ALA 1 HA ALA 1 -19.482 7.915 12.289
3 1HB ALA 1 1HB ALA 1 -22.150 8.261 12.346
4 2HB ALA 1 2HB ALA 1 -22.091 6.786 11.352
5 3HB ALA 1 3HB ALA 1 -21.366 6.794 12.979
6 H ARG 2 H ARG 2 -18.523 5.909 11.798
7 HA ARG 2 HA ARG 2 -18.948 4.959 9.102
8 2HB ARG 2 2HB ARG 2 -16.235 4.561 9.332
9 2HG ARG 2 2HG ARG 2 -17.468 7.169 8.333
10 2HD ARG 2 2HD ARG 2 -15.422 5.893 6.676
11 HE ARG 2 HE ARG 2 -16.235 8.476 7.183
12 1HH1 ARG 2 2HH2 ARG 2 -13.125 6.850 7.436
13 2HH1 ARG 2 1HH2 ARG 2 -12.206 8.282 7.110
14 1HH2 ARG 2 2HH1 ARG 2 -15.023 10.365 6.752
15 2HH2 ARG 2 1HH1 ARG 2 -13.293 10.295 6.719
16 H SER 3 H SER 3 -17.130 2.854 9.023
17 HA SER 3 HA SER 3 -16.504 1.439 11.162
18 2HB SER 3 2HB SER 3 -18.451 1.054 12.281
19 HG SER 3 HG SER 3 -20.356 1.770 11.558
20 H TYR 4 H TYR 4 -14.994 0.801 9.511
21 HA TYR 4 HA TYR 4 -16.036 -1.322 7.790
22 2HB TYR 4 2HB TYR 4 -14.278 -0.230 6.105
23 HD1 TYR 4 1HD TYR 4 -16.240 2.681 7.004
24 HD2 TYR 4 2HD TYR 4 -16.338 -1.037 4.889
25 HE1 TYR 4 1HE TYR 4 -18.295 3.456 5.722
26 HE2 TYR 4 2HE TYR 4 -18.392 -0.251 3.615
27 HH TYR 4 HH TYR 4 -19.445 1.778 2.979
28 H GLY 5 H GLY 5 -15.042 -2.527 9.696
29 1HA GLY 5 1HA GLY 5 -13.294 -4.122 9.800
30 2HA GLY 5 2HA GLY 5 -12.181 -2.948 9.125
31 H ASN 6 H ASN 6 -10.970 -1.656 10.491
32 HA ASN 6 HA ASN 6 -11.814 -1.663 13.279
33 2HB ASN 6 2HB ASN 6 -9.347 -1.708 13.878
34 1HD2 ASN 6 1HD2 ASN 6 -7.925 -3.810 13.394
35 2HD2 ASN 6 2HD2 ASN 6 -8.819 -5.293 13.425
36 H GLY 7 H GLY 7 -9.807 -0.164 10.654
37 1HA GLY 7 1HA GLY 7 -9.538 2.335 12.096
38 2HA GLY 7 2HA GLY 7 -8.905 1.933 10.511
39 H VAL 8 H VAL 8 -9.699 3.469 9.119
40 HA VAL 8 HA VAL 8 -11.158 4.577 7.881
41 HB VAL 8 HB VAL 8 -13.268 2.781 9.094
42 1HG1 VAL 8 1HG1 VAL 8 -14.617 4.189 7.957
43 2HG1 VAL 8 2HG1 VAL 8 -13.282 4.843 6.979
44 3HG1 VAL 8 3HG1 VAL 8 -14.045 3.300 6.525
45 1HG2 VAL 8 1HG2 VAL 8 -12.625 1.893 6.504
46 2HG2 VAL 8 2HG2 VAL 8 -11.064 2.175 7.313
47 3HG2 VAL 8 3HG2 VAL 8 -12.263 1.084 8.049
48 H TYR 9 H TYR 9 -13.102 3.840 10.867
49 HA TYR 9 HA TYR 9 -13.776 6.639 11.070
50 2HB TYR 9 2HB TYR 9 -15.442 4.861 11.527
51 HD1 TYR 9 1HD TYR 9 -13.679 4.527 14.759
52 HD2 TYR 9 2HD TYR 9 -14.841 2.551 11.147
53 HE1 TYR 9 1HE TYR 9 -13.067 2.282 15.782
54 HE2 TYR 9 2HE TYR 9 -14.225 0.311 12.182
55 HH TYR 9 HH TYR 9 -12.861 0.156 15.460
56 H CYS 10 H CYS 10 -11.935 4.157 12.958
57 HA CYS 10 HA CYS 10 -10.417 4.346 14.529
58 2HB CYS 10 2HB CYS 10 -9.526 6.005 12.694
59 H ASN 11 H ASN 11 -10.076 5.230 16.750
60 HA ASN 11 HA ASN 11 -12.522 6.056 17.846
61 2HB ASN 11 2HB ASN 11 -10.164 6.470 19.580
62 1HD2 ASN 11 1HD2 ASN 11 -11.302 6.657 21.357
63 2HD2 ASN 11 2HD2 ASN 11 -12.534 5.582 21.927
64 H ASN 12 H ASN 12 -11.521 7.885 19.924
65 HA ASN 12 HA ASN 12 -11.367 10.259 18.290
66 2HB ASN 12 2HB ASN 12 -11.792 11.418 20.537
67 1HD2 ASN 12 1HD2 ASN 12 -13.446 8.305 20.530
68 2HD2 ASN 12 2HD2 ASN 12 -14.974 8.851 19.924
69 H LYS 13 H LYS 13 -10.008 9.269 21.531
70 HA LYS 13 HA LYS 13 -7.684 10.876 21.114
71 2HB LYS 13 2HB LYS 13 -8.479 10.808 23.324
72 2HG LYS 13 2HG LYS 13 -8.334 8.266 24.357
73 2HD LYS 13 2HD LYS 13 -10.567 9.957 23.263
74 2HE LYS 13 2HE LYS 13 -10.734 7.110 23.193
75 1HZ LYS 13 1HZ LYS 13 -11.927 6.529 24.967
76 2HZ LYS 13 2HZ LYS 13 -11.197 7.790 25.704
77 3HZ LYS 13 3HZ LYS 13 -12.704 7.959 25.097
78 H LYS 14 H LYS 14 -8.573 7.419 20.869
79 HA LYS 14 HA LYS 14 -5.866 6.582 20.518
80 2HB LYS 14 2HB LYS 14 -7.033 4.418 19.829
81 2HG LYS 14 2HG LYS 14 -7.225 5.829 22.479
82 2HD LYS 14 2HD LYS 14 -8.104 3.466 23.309
83 2HE LYS 14 2HE LYS 14 -9.779 5.714 22.126
84 1HZ LYS 14 1HZ LYS 14 -11.592 4.685 23.368
85 2HZ LYS 14 2HZ LYS 14 -11.123 3.768 22.100
86 3HZ LYS 14 3HZ LYS 14 -10.685 3.351 23.617
87 H CYS 15 H CYS 15 -8.724 6.485 18.269
88 HA CYS 15 HA CYS 15 -8.838 6.608 16.078
89 2HB CYS 15 2HB CYS 15 -6.542 8.566 16.224
90 H TRP 16 H TRP 16 -8.144 4.382 15.763
91 HA TRP 16 HA TRP 16 -5.310 4.079 15.075
92 2HB TRP 16 2HB TRP 16 -6.032 2.573 16.791
93 HD1 TRP 16 HD TRP 16 -7.948 0.699 13.995
94 HE1 TRP 16 1HE TRP 16 -10.360 0.002 14.805
95 HE3 TRP 16 3HE TRP 16 -7.749 3.186 18.424
96 HZ2 TRP 16 2HZ TRP 16 -11.881 0.558 17.156
97 HZ3 TRP 16 3HZ TRP 16 -9.740 3.058 19.920
98 HH2 TRP 16 HH TRP 16 -11.757 1.801 19.347
99 H VAL 17 H VAL 17 -5.057 2.353 13.185
100 HA VAL 17 HA VAL 17 -7.139 2.825 11.179
101 HB VAL 17 HB VAL 17 -4.225 3.485 11.061
102 1HG1 VAL 17 1HG1 VAL 17 -4.574 3.572 8.493
103 2HG1 VAL 17 2HG1 VAL 17 -4.222 2.002 9.253
104 3HG1 VAL 17 3HG1 VAL 17 -5.891 2.410 8.786
105 1HG2 VAL 17 1HG2 VAL 17 -6.443 5.029 11.249
106 2HG2 VAL 17 2HG2 VAL 17 -4.928 5.562 10.483
107 3HG2 VAL 17 3HG2 VAL 17 -6.265 4.949 9.480
108 H ASN 18 H ASN 18 -3.948 1.131 11.633
109 HA ASN 18 HA ASN 18 -5.301 -1.369 11.384
110 2HB ASN 18 2HB ASN 18 -3.047 -1.378 9.501
111 1HD2 ASN 18 1HD2 ASN 18 -5.161 -1.075 7.337
112 2HD2 ASN 18 2HD2 ASN 18 -6.032 -2.572 7.339
113 H ARG 19 H ARG 19 -4.364 -1.849 13.461
114 HA ARG 19 HA ARG 19 -1.568 -1.417 13.814
115 2HB ARG 19 2HB ARG 19 -2.015 -2.447 16.093
116 2HG ARG 19 2HG ARG 19 -3.296 -0.037 14.969
117 2HD ARG 19 2HD ARG 19 -4.741 0.373 16.962
118 HE ARG 19 HE ARG 19 -5.502 -1.141 14.818
119 1HH1 ARG 19 2HH2 ARG 19 -6.212 -1.440 18.251
120 2HH1 ARG 19 1HH2 ARG 19 -7.757 -2.182 17.998
121 1HH2 ARG 19 2HH1 ARG 19 -7.539 -2.119 14.483
122 2HH2 ARG 19 1HH1 ARG 19 -8.517 -2.570 15.839
123 H GLY 20 H GLY 20 -3.115 -3.587 11.976
124 1HA GLY 20 1HA GLY 20 -2.133 -6.094 12.965
125 2HA GLY 20 2HA GLY 20 -2.878 -5.769 11.412
126 H GLU 21 H GLU 21 -1.460 -4.400 9.822
127 HA GLU 21 HA GLU 21 0.779 -5.827 9.247
128 2HB GLU 21 2HB GLU 21 -0.207 -4.508 7.524
129 2HG GLU 21 2HG GLU 21 -0.598 -2.597 9.579
130 HE2 GLU 21 HE2 GLU 21 -0.569 -0.182 7.936
131 H ALA 22 H ALA 22 0.345 -3.136 11.499
132 HA ALA 22 HA ALA 22 2.932 -2.183 11.663
133 1HB ALA 22 1HB ALA 22 2.249 -1.333 13.829
134 2HB ALA 22 2HB ALA 22 0.858 -1.233 12.723
135 3HB ALA 22 3HB ALA 22 0.938 -2.533 13.937
136 H THR 23 H THR 23 1.344 -4.886 13.497
137 HA THR 23 HA THR 23 3.774 -5.580 14.822
138 HB THR 23 HB THR 23 1.004 -6.823 14.500
139 HG1 THR 23 1HG THR 23 2.634 -5.718 16.679
140 1HG2 THR 23 1HG2 THR 23 1.909 -8.145 16.619
141 2HG2 THR 23 2HG2 THR 23 2.241 -8.787 14.992
142 3HG2 THR 23 3HG2 THR 23 3.501 -7.884 15.867
143 H GLN 24 H GLN 24 1.960 -6.882 11.986
144 HA GLN 24 HA GLN 24 3.309 -9.118 11.509
145 2HB GLN 24 2HB GLN 24 2.952 -8.632 9.044
146 2HG GLN 24 2HG GLN 24 0.481 -7.658 10.453
147 1HE2 GLN 24 1HE2 GLN 24 -0.163 -10.672 10.031
148 2HE2 GLN 24 2HE2 GLN 24 -0.589 -10.780 8.355
149 H SER 25 H SER 25 4.362 -5.841 10.318
150 HA SER 25 HA SER 25 6.930 -6.979 9.691
151 2HB SER 25 2HB SER 25 6.491 -4.041 9.407
152 HG SER 25 HG SER 25 7.930 -6.051 8.214
153 H ILE 26 H ILE 26 8.916 -6.316 10.693
154 HA ILE 26 HA ILE 26 8.650 -5.605 13.421
155 HB ILE 26 HB ILE 26 11.092 -5.717 13.429
156 2HG1 ILE 26 2HG1 ILE 26 10.726 -5.475 10.504
157 1HG2 ILE 26 1HG2 ILE 26 9.319 -7.767 13.131
158 2HG2 ILE 26 2HG2 ILE 26 10.467 -8.098 11.811
159 3HG2 ILE 26 3HG2 ILE 26 11.052 -7.958 13.486
160 1HD1 ILE 26 1HD1 ILE 26 12.314 -3.897 10.842
161 2HD1 ILE 26 2HD1 ILE 26 12.188 -4.229 12.586
162 3HD1 ILE 26 3HD1 ILE 26 13.399 -5.086 11.603
163 H ILE 27 H ILE 27 9.599 -3.886 10.410
164 HA ILE 27 HA ILE 27 10.583 -1.582 11.555
165 HB ILE 27 HB ILE 27 10.105 -0.530 9.438
166 2HG1 ILE 27 2HG1 ILE 27 7.993 -2.569 9.294
167 1HG2 ILE 27 1HG2 ILE 27 11.270 -2.090 7.954
168 2HG2 ILE 27 2HG2 ILE 27 12.006 -2.056 9.574
169 3HG2 ILE 27 3HG2 ILE 27 10.963 -3.417 9.100
170 1HD1 ILE 27 1HD1 ILE 27 8.120 -0.302 7.379
171 2HD1 ILE 27 2HD1 ILE 27 6.811 -0.787 8.483
172 3HD1 ILE 27 3HD1 ILE 27 8.179 0.177 9.092
173 H GLY 28 H GLY 28 7.234 -2.734 11.148
174 1HA GLY 28 1HA GLY 28 5.667 -0.585 11.362
175 2HA GLY 28 2HA GLY 28 5.386 -2.051 12.281
176 H GLY 29 H GLY 29 7.826 -1.858 13.944
177 1HA GLY 29 1HA GLY 29 6.782 -0.164 15.995
178 2HA GLY 29 2HA GLY 29 8.254 -1.114 16.036
179 H MET 30 H MET 30 9.736 -0.119 13.876
180 HA MET 30 HA MET 30 10.759 2.207 15.000
181 2HB MET 30 2HB MET 30 11.835 2.205 12.487
182 2HG MET 30 2HG MET 30 13.203 0.068 13.428
183 1HE MET 30 1HE MET 30 14.962 2.665 16.299
184 2HE MET 30 2HE MET 30 13.457 1.747 16.537
185 3HE MET 30 3HE MET 30 14.914 0.923 15.934
186 H ILE 31 H ILE 31 8.789 1.640 12.006
187 HA ILE 31 HA ILE 31 8.751 4.248 11.107
188 HB ILE 31 HB ILE 31 8.036 2.397 9.764
189 2HG1 ILE 31 2HG1 ILE 31 7.146 4.581 9.177
190 1HG2 ILE 31 1HG2 ILE 31 6.897 1.300 11.891
191 2HG2 ILE 31 2HG2 ILE 31 5.445 2.073 11.210
192 3HG2 ILE 31 3HG2 ILE 31 6.373 0.909 10.235
193 1HD1 ILE 31 1HD1 ILE 31 4.963 3.824 8.098
194 2HD1 ILE 31 2HD1 ILE 31 6.367 2.788 7.748
195 3HD1 ILE 31 3HD1 ILE 31 5.163 2.276 8.954
196 H SER 32 H SER 32 6.376 2.557 13.276
197 HA SER 32 HA SER 32 4.631 4.523 13.671
198 2HB SER 32 2HB SER 32 5.196 3.439 16.275
199 HG SER 32 HG SER 32 3.082 3.331 15.901
200 H GLY 33 H GLY 33 7.943 4.274 15.024
201 1HA GLY 33 1HA GLY 33 7.701 6.426 16.865
202 2HA GLY 33 2HA GLY 33 9.175 5.685 16.280
203 H TRP 34 H TRP 34 8.771 6.109 13.430
204 HA TRP 34 HA TRP 34 9.878 8.640 13.164
205 2HB TRP 34 2HB TRP 34 8.424 7.081 11.024
206 HD1 TRP 34 HD TRP 34 11.490 9.450 11.614
207 HE1 TRP 34 1HE TRP 34 11.959 10.897 9.458
208 HE3 TRP 34 3HE TRP 34 7.830 7.356 8.773
209 HZ2 TRP 34 2HZ TRP 34 10.774 11.001 6.863
210 HZ3 TRP 34 3HZ TRP 34 7.552 8.186 6.440
211 HH2 TRP 34 HH TRP 34 8.951 9.944 5.477
212 H ALA 35 H ALA 35 6.519 7.433 12.451
213 HA ALA 35 HA ALA 35 5.491 9.938 11.767
214 1HB ALA 35 1HB ALA 35 4.006 7.581 12.988
215 2HB ALA 35 2HB ALA 35 3.347 8.841 11.917
216 3HB ALA 35 3HB ALA 35 4.515 7.654 11.284
217 H SER 36 H SER 36 5.931 8.242 14.893
218 HA SER 36 HA SER 36 4.334 10.018 16.348
219 2HB SER 36 2HB SER 36 6.682 8.423 17.442
220 HG SER 36 HG SER 36 4.075 8.785 18.607
221 H GLY 37 H GLY 37 7.748 9.977 15.305
222 1HA GLY 37 1HA GLY 37 8.715 11.975 17.053
223 2HA GLY 37 2HA GLY 37 9.427 11.457 15.538
224 H LEU 38 H LEU 38 7.669 12.103 13.565
225 HA LEU 38 HA LEU 38 7.993 14.846 13.301
226 2HB LEU 38 2HB LEU 38 7.854 13.468 11.387
227 HG LEU 38 HG LEU 38 6.064 11.856 12.486
228 1HD1 LEU 38 1HD1 LEU 38 4.127 13.174 10.671
229 2HD1 LEU 38 2HD1 LEU 38 3.868 12.294 12.196
230 3HD1 LEU 38 3HD1 LEU 38 4.429 13.982 12.228
231 1HD2 LEU 38 1HD2 LEU 38 6.841 10.902 10.613
232 2HD2 LEU 38 2HD2 LEU 38 5.333 11.500 9.879
233 3HD2 LEU 38 3HD2 LEU 38 6.839 12.433 9.706
234 H ALA 39 H ALA 39 5.170 12.870 14.366
235 HA ALA 39 HA ALA 39 3.350 14.974 14.504
236 1HB ALA 39 1HB ALA 39 3.608 12.189 15.454
237 2HB ALA 39 2HB ALA 39 2.578 13.214 16.483
238 3HB ALA 39 3HB ALA 39 2.207 13.033 14.751
239 H GLY 40 H GLY 40 5.963 13.890 16.674
240 1HA GLY 40 1HA GLY 40 5.122 15.354 18.957
241 2HA GLY 40 2HA GLY 40 6.711 14.685 18.645
242 H MET 41 H MET 41 4.533 17.424 17.705
243 HA MET 41 HA MET 41 6.122 18.996 16.318
244 2HB MET 41 2HB MET 41 3.768 19.448 17.310
245 2HG MET 41 2HG MET 41 4.918 21.157 19.426
246 1HE MET 41 1HE MET 41 2.308 21.344 21.568
247 2HE MET 41 2HE MET 41 2.722 19.682 22.055
248 3HE MET 41 3HE MET 41 4.010 20.823 21.602
Start of MODEL 11
1 1H ALA 1 1H ALA 1 -23.459 7.411 7.160
2 HA ALA 1 HA ALA 1 -22.770 6.903 9.199
3 1HB ALA 1 1HB ALA 1 -24.384 5.598 10.065
4 2HB ALA 1 2HB ALA 1 -24.674 4.830 8.485
5 3HB ALA 1 3HB ALA 1 -23.428 4.178 9.575
6 H ARG 2 H ARG 2 -20.562 6.997 9.217
7 HA ARG 2 HA ARG 2 -18.838 5.663 7.730
8 2HB ARG 2 2HB ARG 2 -17.816 5.758 10.485
9 2HG ARG 2 2HG ARG 2 -16.874 6.322 7.947
10 2HD ARG 2 2HD ARG 2 -16.539 9.004 9.119
11 HE ARG 2 HE ARG 2 -16.734 7.798 6.493
12 1HH1 ARG 2 2HH2 ARG 2 -17.185 10.839 8.206
13 2HH1 ARG 2 1HH2 ARG 2 -16.904 11.817 6.805
14 1HH2 ARG 2 2HH1 ARG 2 -16.363 9.089 4.644
15 2HH2 ARG 2 1HH1 ARG 2 -16.433 10.815 4.766
16 H SER 3 H SER 3 -17.672 3.655 7.781
17 HA SER 3 HA SER 3 -17.676 1.879 9.844
18 2HB SER 3 2HB SER 3 -20.069 1.594 8.021
19 HG SER 3 HG SER 3 -19.864 -0.658 9.431
20 H TYR 4 H TYR 4 -18.661 1.167 6.423
21 HA TYR 4 HA TYR 4 -17.605 0.132 4.772
22 2HB TYR 4 2HB TYR 4 -15.193 0.886 4.475
23 HD1 TYR 4 1HD TYR 4 -16.676 2.062 2.799
24 HD2 TYR 4 2HD TYR 4 -16.014 3.588 6.741
25 HE1 TYR 4 1HE TYR 4 -17.490 4.354 2.056
26 HE2 TYR 4 2HE TYR 4 -16.830 5.874 5.985
27 HH TYR 4 HH TYR 4 -17.636 7.051 4.368
28 H GLY 5 H GLY 5 -17.655 -2.068 4.964
29 1HA GLY 5 1HA GLY 5 -16.907 -4.149 5.375
30 2HA GLY 5 2HA GLY 5 -15.339 -3.469 5.760
31 H ASN 6 H ASN 6 -14.890 -2.730 7.972
32 HA ASN 6 HA ASN 6 -16.838 -3.137 9.965
33 2HB ASN 6 2HB ASN 6 -16.245 -5.514 9.627
34 1HD2 ASN 6 1HD2 ASN 6 -13.589 -5.303 11.641
35 2HD2 ASN 6 2HD2 ASN 6 -12.320 -5.701 10.532
36 H GLY 7 H GLY 7 -15.893 -0.828 9.991
37 1HA GLY 7 1HA GLY 7 -14.779 0.484 11.589
38 2HA GLY 7 2HA GLY 7 -13.554 -0.757 11.770
39 H VAL 8 H VAL 8 -13.507 2.247 10.995
40 HA VAL 8 HA VAL 8 -11.445 1.954 9.040
41 HB VAL 8 HB VAL 8 -14.162 2.909 8.297
42 1HG1 VAL 8 1HG1 VAL 8 -12.844 4.155 6.346
43 2HG1 VAL 8 2HG1 VAL 8 -13.281 4.980 7.861
44 3HG1 VAL 8 3HG1 VAL 8 -11.630 4.356 7.631
45 1HG2 VAL 8 1HG2 VAL 8 -13.195 2.070 6.021
46 2HG2 VAL 8 2HG2 VAL 8 -11.922 1.344 7.031
47 3HG2 VAL 8 3HG2 VAL 8 -13.624 0.888 7.281
48 H TYR 9 H TYR 9 -13.735 4.121 10.803
49 HA TYR 9 HA TYR 9 -11.730 6.202 10.911
50 2HB TYR 9 2HB TYR 9 -14.120 6.764 10.626
51 HD1 TYR 9 1HD TYR 9 -15.695 4.959 10.273
52 HD2 TYR 9 2HD TYR 9 -14.415 5.986 14.224
53 HE1 TYR 9 1HE TYR 9 -17.573 3.554 11.254
54 HE2 TYR 9 2HE TYR 9 -16.298 4.578 15.192
55 HH TYR 9 HH TYR 9 -18.148 2.445 13.222
56 H CYS 10 H CYS 10 -13.430 3.933 13.163
57 HA CYS 10 HA CYS 10 -11.215 3.597 14.779
58 2HB CYS 10 2HB CYS 10 -13.140 5.679 15.825
59 H ASN 11 H ASN 11 -11.878 2.327 16.812
60 HA ASN 11 HA ASN 11 -14.226 0.806 16.120
61 2HB ASN 11 2HB ASN 11 -12.255 0.264 18.392
62 1HD2 ASN 11 1HD2 ASN 11 -12.820 -1.427 19.517
63 2HD2 ASN 11 2HD2 ASN 11 -13.926 -2.678 19.055
64 H ASN 12 H ASN 12 -15.685 0.100 18.043
65 HA ASN 12 HA ASN 12 -16.942 2.107 19.185
66 2HB ASN 12 2HB ASN 12 -18.021 0.109 19.666
67 1HD2 ASN 12 1HD2 ASN 12 -17.098 -1.260 18.092
68 2HD2 ASN 12 2HD2 ASN 12 -16.031 -2.557 18.519
69 H LYS 13 H LYS 13 -14.652 0.043 21.140
70 HA LYS 13 HA LYS 13 -14.117 2.376 22.814
71 2HB LYS 13 2HB LYS 13 -13.975 -0.597 23.224
72 2HG LYS 13 2HG LYS 13 -12.995 0.273 25.565
73 2HD LYS 13 2HD LYS 13 -10.625 0.138 24.074
74 2HE LYS 13 2HE LYS 13 -11.463 -1.269 26.078
75 1HZ LYS 13 1HZ LYS 13 -13.314 -2.096 24.387
76 2HZ LYS 13 2HZ LYS 13 -12.223 -3.297 24.195
77 3HZ LYS 13 3HZ LYS 13 -12.826 -2.970 25.677
78 H LYS 14 H LYS 14 -12.455 -0.265 20.977
79 HA LYS 14 HA LYS 14 -9.882 0.802 21.421
80 2HB LYS 14 2HB LYS 14 -9.206 -0.803 19.660
81 2HG LYS 14 2HG LYS 14 -11.279 -2.042 21.521
82 2HD LYS 14 2HD LYS 14 -9.692 -3.919 21.581
83 2HE LYS 14 2HE LYS 14 -9.742 -4.611 19.171
84 1HZ LYS 14 1HZ LYS 14 -11.766 -4.606 20.574
85 2HZ LYS 14 2HZ LYS 14 -12.197 -3.180 19.904
86 3HZ LYS 14 3HZ LYS 14 -12.066 -4.514 18.971
87 H CYS 15 H CYS 15 -8.574 1.086 19.059
88 HA CYS 15 HA CYS 15 -10.043 2.773 17.288
89 2HB CYS 15 2HB CYS 15 -7.774 4.311 18.297
90 H TRP 16 H TRP 16 -9.274 1.084 15.834
91 HA TRP 16 HA TRP 16 -6.793 0.063 15.595
92 2HB TRP 16 2HB TRP 16 -8.171 -0.891 14.098
93 HD1 TRP 16 HD TRP 16 -8.851 2.568 12.445
94 HE1 TRP 16 1HE TRP 16 -11.444 2.987 12.191
95 HE3 TRP 16 3HE TRP 16 -10.305 -1.620 14.936
96 HZ2 TRP 16 2HZ TRP 16 -13.760 1.552 13.039
97 HZ3 TRP 16 3HZ TRP 16 -12.751 -2.037 15.179
98 HH2 TRP 16 HH TRP 16 -14.455 -0.532 14.279
99 H VAL 17 H VAL 17 -8.001 3.153 14.099
100 HA VAL 17 HA VAL 17 -6.947 4.981 13.448
101 HB VAL 17 HB VAL 17 -5.014 3.918 15.483
102 1HG1 VAL 17 1HG1 VAL 17 -3.891 6.239 15.257
103 2HG1 VAL 17 2HG1 VAL 17 -3.459 4.971 14.084
104 3HG1 VAL 17 3HG1 VAL 17 -4.599 6.260 13.624
105 1HG2 VAL 17 1HG2 VAL 17 -6.080 6.616 15.822
106 2HG2 VAL 17 2HG2 VAL 17 -7.365 5.399 15.630
107 3HG2 VAL 17 3HG2 VAL 17 -6.148 5.213 16.915
108 H ASN 18 H ASN 18 -3.968 2.965 13.800
109 HA ASN 18 HA ASN 18 -3.884 2.850 10.896
110 2HB ASN 18 2HB ASN 18 -1.212 3.066 12.121
111 1HD2 ASN 18 1HD2 ASN 18 -1.677 6.052 11.221
112 2HD2 ASN 18 2HD2 ASN 18 -1.483 5.987 9.501
113 H ARG 19 H ARG 19 -4.250 0.589 10.756
114 HA ARG 19 HA ARG 19 -3.066 -1.145 12.653
115 2HB ARG 19 2HB ARG 19 -3.952 -2.820 10.664
116 2HG ARG 19 2HG ARG 19 -5.522 -1.336 12.810
117 2HD ARG 19 2HD ARG 19 -7.110 -2.073 11.026
118 HE ARG 19 HE ARG 19 -5.421 -4.313 10.773
119 1HH1 ARG 19 2HH2 ARG 19 -8.867 -3.729 11.175
120 2HH1 ARG 19 1HH2 ARG 19 -9.340 -5.170 10.336
121 1HH2 ARG 19 2HH1 ARG 19 -6.043 -6.213 9.667
122 2HH2 ARG 19 1HH1 ARG 19 -7.722 -6.591 9.472
123 H GLY 20 H GLY 20 -2.582 -0.303 9.169
124 1HA GLY 20 1HA GLY 20 -0.824 -2.085 8.244
125 2HA GLY 20 2HA GLY 20 -0.666 -0.365 7.947
126 H GLU 21 H GLU 21 0.453 0.944 9.782
127 HA GLU 21 HA GLU 21 2.990 0.046 10.072
128 2HB GLU 21 2HB GLU 21 2.502 2.373 10.399
129 2HG GLU 21 2HG GLU 21 0.232 1.458 11.783
130 HE2 GLU 21 HE2 GLU 21 -0.420 2.065 14.254
131 H ALA 22 H ALA 22 0.166 -0.441 12.237
132 HA ALA 22 HA ALA 22 1.556 -1.462 14.427
133 1HB ALA 22 1HB ALA 22 -0.910 -0.713 14.160
134 2HB ALA 22 2HB ALA 22 -1.202 -2.360 13.552
135 3HB ALA 22 3HB ALA 22 -0.578 -2.116 15.202
136 H THR 23 H THR 23 0.094 -3.087 11.536
137 HA THR 23 HA THR 23 0.692 -5.695 12.277
138 HB THR 23 HB THR 23 0.114 -4.167 9.742
139 HG1 THR 23 1HG THR 23 -1.641 -5.016 10.935
140 1HG2 THR 23 1HG2 THR 23 1.469 -6.855 9.903
141 2HG2 THR 23 2HG2 THR 23 0.080 -6.709 8.801
142 3HG2 THR 23 3HG2 THR 23 1.499 -5.657 8.587
143 H GLN 24 H GLN 24 2.568 -3.757 9.850
144 HA GLN 24 HA GLN 24 4.651 -5.407 9.624
145 2HB GLN 24 2HB GLN 24 4.494 -3.423 8.261
146 2HG GLN 24 2HG GLN 24 4.928 -1.882 10.864
147 1HE2 GLN 24 1HE2 GLN 24 6.910 -1.125 9.812
148 2HE2 GLN 24 2HE2 GLN 24 6.826 0.170 8.666
149 H SER 25 H SER 25 4.077 -3.020 12.260
150 HA SER 25 HA SER 25 5.894 -4.527 13.887
151 2HB SER 25 2HB SER 25 6.697 -1.932 14.520
152 HG SER 25 HG SER 25 8.690 -2.550 13.454
153 H ILE 26 H ILE 26 5.129 -4.597 16.001
154 HA ILE 26 HA ILE 26 2.624 -3.387 16.525
155 HB ILE 26 HB ILE 26 2.858 -4.437 18.721
156 2HG1 ILE 26 2HG1 ILE 26 5.705 -4.617 17.899
157 1HG2 ILE 26 1HG2 ILE 26 2.093 -6.274 17.746
158 2HG2 ILE 26 2HG2 ILE 26 2.752 -5.708 16.192
159 3HG2 ILE 26 3HG2 ILE 26 3.741 -6.737 17.256
160 1HD1 ILE 26 1HD1 ILE 26 5.946 -3.656 19.935
161 2HD1 ILE 26 2HD1 ILE 26 4.172 -3.577 20.045
162 3HD1 ILE 26 3HD1 ILE 26 5.042 -4.977 20.716
163 H ILE 27 H ILE 27 6.029 -2.736 17.500
164 HA ILE 27 HA ILE 27 5.513 -0.807 19.406
165 HB ILE 27 HB ILE 27 7.687 -1.979 18.701
166 2HG1 ILE 27 2HG1 ILE 27 7.137 0.176 20.297
167 1HG2 ILE 27 1HG2 ILE 27 8.912 -1.260 16.955
168 2HG2 ILE 27 2HG2 ILE 27 7.339 -0.700 16.338
169 3HG2 ILE 27 3HG2 ILE 27 8.425 0.439 17.170
170 1HD1 ILE 27 1HD1 ILE 27 9.043 -0.486 21.435
171 2HD1 ILE 27 2HD1 ILE 27 8.870 -1.889 20.353
172 3HD1 ILE 27 3HD1 ILE 27 10.020 -0.591 19.951
173 H GLY 28 H GLY 28 5.371 -0.680 15.853
174 1HA GLY 28 1HA GLY 28 3.903 0.918 14.865
175 2HA GLY 28 2HA GLY 28 4.359 2.083 16.092
176 H GLY 29 H GLY 29 4.928 1.007 12.903
177 1HA GLY 29 1HA GLY 29 7.693 1.680 12.657
178 2HA GLY 29 2HA GLY 29 6.539 1.404 11.367
179 H MET 30 H MET 30 4.566 3.332 11.817
180 HA MET 30 HA MET 30 5.719 5.555 10.685
181 2HB MET 30 2HB MET 30 3.396 6.566 11.711
182 2HG MET 30 2HG MET 30 2.190 5.248 9.823
183 1HE MET 30 1HE MET 30 3.714 7.002 6.598
184 2HE MET 30 2HE MET 30 3.817 5.306 7.131
185 3HE MET 30 3HE MET 30 2.271 6.181 7.240
186 H ILE 31 H ILE 31 4.631 4.997 14.103
187 HA ILE 31 HA ILE 31 5.225 7.509 15.074
188 HB ILE 31 HB ILE 31 3.914 5.888 16.278
189 2HG1 ILE 31 2HG1 ILE 31 4.966 7.661 17.568
190 1HG2 ILE 31 1HG2 ILE 31 4.788 3.901 17.269
191 2HG2 ILE 31 2HG2 ILE 31 5.235 3.887 15.545
192 3HG2 ILE 31 3HG2 ILE 31 6.449 4.312 16.776
193 1HD1 ILE 31 1HD1 ILE 31 5.102 4.941 18.948
194 2HD1 ILE 31 2HD1 ILE 31 5.089 6.511 19.787
195 3HD1 ILE 31 3HD1 ILE 31 3.673 5.994 18.840
196 H SER 32 H SER 32 7.318 4.539 15.047
197 HA SER 32 HA SER 32 9.497 5.506 16.222
198 2HB SER 32 2HB SER 32 9.921 3.997 13.650
199 HG SER 32 HG SER 32 11.307 4.371 15.892
200 H GLY 33 H GLY 33 8.318 6.249 12.924
201 1HA GLY 33 1HA GLY 33 10.677 7.595 12.055
202 2HA GLY 33 2HA GLY 33 9.088 7.636 11.317
203 H TRP 34 H TRP 34 7.567 8.572 13.613
204 HA TRP 34 HA TRP 34 7.872 11.319 13.287
205 2HB TRP 34 2HB TRP 34 6.518 9.927 15.599
206 HD1 TRP 34 HD TRP 34 6.276 13.045 13.239
207 HE1 TRP 34 1HE TRP 34 5.124 15.059 14.496
208 HE3 TRP 34 3HE TRP 34 5.341 10.509 17.546
209 HZ2 TRP 34 2HZ TRP 34 3.977 15.360 17.091
210 HZ3 TRP 34 3HZ TRP 34 4.201 11.737 19.392
211 HH2 TRP 34 HH TRP 34 3.525 14.079 19.216
212 H ALA 35 H ALA 35 8.641 9.189 16.142
213 HA ALA 35 HA ALA 35 9.897 11.171 17.628
214 1HB ALA 35 1HB ALA 35 10.571 8.209 17.647
215 2HB ALA 35 2HB ALA 35 10.650 9.363 19.001
216 3HB ALA 35 3HB ALA 35 9.071 8.864 18.347
217 H SER 36 H SER 36 11.100 8.960 15.066
218 HA SER 36 HA SER 36 13.782 9.406 15.449
219 2HB SER 36 2HB SER 36 13.509 9.103 12.688
220 HG SER 36 HG SER 36 13.947 7.458 14.907
221 H GLY 37 H GLY 37 11.272 11.309 13.737
222 1HA GLY 37 1HA GLY 37 13.066 13.095 12.438
223 2HA GLY 37 2HA GLY 37 11.342 13.300 12.678
224 H LEU 38 H LEU 38 11.024 13.302 15.441
225 HA LEU 38 HA LEU 38 11.755 15.897 16.102
226 2HB LEU 38 2HB LEU 38 10.881 15.392 18.286
227 HG LEU 38 HG LEU 38 9.392 14.237 15.962
228 1HD1 LEU 38 1HD1 LEU 38 8.557 12.637 17.338
229 2HD1 LEU 38 2HD1 LEU 38 8.885 13.569 18.819
230 3HD1 LEU 38 3HD1 LEU 38 7.479 13.975 17.804
231 1HD2 LEU 38 1HD2 LEU 38 8.932 16.487 17.928
232 2HD2 LEU 38 2HD2 LEU 38 9.260 16.592 16.181
233 3HD2 LEU 38 3HD2 LEU 38 7.706 15.943 16.759
234 H ALA 39 H ALA 39 13.165 12.722 17.142
235 HA ALA 39 HA ALA 39 15.169 13.879 18.727
236 1HB ALA 39 1HB ALA 39 15.911 11.324 17.542
237 2HB ALA 39 2HB ALA 39 15.502 11.712 19.230
238 3HB ALA 39 3HB ALA 39 14.211 11.314 18.070
239 H GLY 40 H GLY 40 14.783 13.410 15.249
240 1HA GLY 40 1HA GLY 40 17.578 13.647 14.624
241 2HA GLY 40 2HA GLY 40 16.222 13.674 13.514
242 H MET 41 H MET 41 17.406 15.720 16.288
243 HA MET 41 HA MET 41 17.499 17.884 16.545
244 2HB MET 41 2HB MET 41 18.431 19.134 14.416
245 2HG MET 41 2HG MET 41 19.742 16.760 15.783
246 1HE MET 41 1HE MET 41 22.951 19.080 14.460
247 2HE MET 41 2HE MET 41 22.135 18.579 15.961
248 3HE MET 41 3HE MET 41 23.216 17.446 15.114
Start of MODEL 12
1 1H ALA 1 1H ALA 1 -17.756 9.190 5.157
2 HA ALA 1 HA ALA 1 -17.471 6.568 6.453
3 1HB ALA 1 1HB ALA 1 -19.211 6.922 4.473
4 2HB ALA 1 2HB ALA 1 -17.744 6.815 3.470
5 3HB ALA 1 3HB ALA 1 -18.188 5.468 4.545
6 H ARG 2 H ARG 2 -15.397 5.819 6.539
7 HA ARG 2 HA ARG 2 -13.544 6.662 4.554
8 2HB ARG 2 2HB ARG 2 -13.373 8.574 6.105
9 2HG ARG 2 2HG ARG 2 -12.405 7.979 8.462
10 2HD ARG 2 2HD ARG 2 -15.128 8.220 7.477
11 HE ARG 2 HE ARG 2 -14.768 5.966 9.242
12 1HH1 ARG 2 2HH2 ARG 2 -16.848 8.756 8.719
13 2HH1 ARG 2 1HH2 ARG 2 -18.228 8.030 9.473
14 1HH2 ARG 2 2HH1 ARG 2 -16.588 5.007 10.236
15 2HH2 ARG 2 1HH1 ARG 2 -18.079 5.883 10.341
16 H SER 3 H SER 3 -11.133 5.882 5.765
17 HA SER 3 HA SER 3 -11.419 3.586 7.335
18 2HB SER 3 2HB SER 3 -12.258 2.464 5.380
19 HG SER 3 HG SER 3 -11.615 3.862 3.697
20 H TYR 4 H TYR 4 -9.485 5.201 4.728
21 HA TYR 4 HA TYR 4 -7.259 5.422 4.499
22 2HB TYR 4 2HB TYR 4 -6.385 6.673 6.614
23 HD1 TYR 4 1HD TYR 4 -6.309 8.387 4.874
24 HD2 TYR 4 2HD TYR 4 -10.006 7.313 6.740
25 HE1 TYR 4 1HE TYR 4 -7.403 10.478 3.927
26 HE2 TYR 4 2HE TYR 4 -11.088 9.407 5.788
27 HH TYR 4 HH TYR 4 -10.278 10.936 3.426
28 H GLY 5 H GLY 5 -6.532 3.234 4.258
29 1HA GLY 5 1HA GLY 5 -5.477 1.327 4.850
30 2HA GLY 5 2HA GLY 5 -4.469 2.399 5.802
31 H ASN 6 H ASN 6 -4.776 2.590 8.079
32 HA ASN 6 HA ASN 6 -6.972 1.159 9.233
33 2HB ASN 6 2HB ASN 6 -5.451 -0.226 10.701
34 1HD2 ASN 6 1HD2 ASN 6 -7.090 -1.425 9.561
35 2HD2 ASN 6 2HD2 ASN 6 -6.675 -2.398 8.189
36 H GLY 7 H GLY 7 -7.583 2.303 11.098
37 1HA GLY 7 1HA GLY 7 -7.040 3.340 13.154
38 2HA GLY 7 2HA GLY 7 -5.530 3.909 12.470
39 H VAL 8 H VAL 8 -9.098 4.116 11.774
40 HA VAL 8 HA VAL 8 -9.020 6.954 11.898
41 HB VAL 8 HB VAL 8 -8.939 5.558 9.253
42 1HG1 VAL 8 1HG1 VAL 8 -9.814 8.075 8.578
43 2HG1 VAL 8 2HG1 VAL 8 -10.817 6.605 8.590
44 3HG1 VAL 8 3HG1 VAL 8 -10.821 7.696 9.996
45 1HG2 VAL 8 1HG2 VAL 8 -7.780 7.922 8.830
46 2HG2 VAL 8 2HG2 VAL 8 -7.583 7.856 10.599
47 3HG2 VAL 8 3HG2 VAL 8 -6.909 6.563 9.578
48 H TYR 9 H TYR 9 -10.672 3.964 10.733
49 HA TYR 9 HA TYR 9 -13.219 4.670 10.515
50 2HB TYR 9 2HB TYR 9 -13.672 2.386 11.426
51 HD1 TYR 9 1HD TYR 9 -13.509 2.350 8.869
52 HD2 TYR 9 2HD TYR 9 -10.152 1.649 11.427
53 HE1 TYR 9 1HE TYR 9 -12.273 1.227 6.951
54 HE2 TYR 9 2HE TYR 9 -8.927 0.528 9.502
55 HH TYR 9 HH TYR 9 -10.524 0.087 6.364
56 H CYS 10 H CYS 10 -11.501 4.241 13.673
57 HA CYS 10 HA CYS 10 -11.964 4.960 15.693
58 2HB CYS 10 2HB CYS 10 -14.097 6.862 15.133
59 H ASN 11 H ASN 11 -13.370 4.308 17.399
60 HA ASN 11 HA ASN 11 -15.826 3.067 16.439
61 2HB ASN 11 2HB ASN 11 -13.883 2.348 18.671
62 1HD2 ASN 11 1HD2 ASN 11 -14.709 1.894 20.553
63 2HD2 ASN 11 2HD2 ASN 11 -16.256 1.194 20.887
64 H ASN 12 H ASN 12 -14.713 3.673 19.818
65 HA ASN 12 HA ASN 12 -16.396 5.959 20.079
66 2HB ASN 12 2HB ASN 12 -17.582 4.769 22.119
67 1HD2 ASN 12 1HD2 ASN 12 -17.783 2.869 19.163
68 2HD2 ASN 12 2HD2 ASN 12 -19.272 3.520 18.563
69 H LYS 13 H LYS 13 -15.613 3.452 22.564
70 HA LYS 13 HA LYS 13 -14.514 5.110 24.404
71 2HB LYS 13 2HB LYS 13 -15.140 2.750 24.767
72 2HG LYS 13 2HG LYS 13 -12.588 1.552 24.131
73 2HD LYS 13 2HD LYS 13 -15.448 1.128 23.156
74 2HE LYS 13 2HE LYS 13 -12.908 -0.046 22.214
75 1HZ LYS 13 1HZ LYS 13 -14.817 -1.669 23.627
76 2HZ LYS 13 2HZ LYS 13 -14.354 -2.239 22.168
77 3HZ LYS 13 3HZ LYS 13 -13.235 -1.945 23.322
78 H LYS 14 H LYS 14 -13.032 3.799 21.444
79 HA LYS 14 HA LYS 14 -10.882 5.696 21.770
80 2HB LYS 14 2HB LYS 14 -9.940 3.835 22.978
81 2HG LYS 14 2HG LYS 14 -11.495 2.138 21.667
82 2HD LYS 14 2HD LYS 14 -9.193 1.227 20.133
83 2HE LYS 14 2HE LYS 14 -11.068 1.638 18.266
84 1HZ LYS 14 1HZ LYS 14 -10.348 -0.455 19.579
85 2HZ LYS 14 2HZ LYS 14 -11.799 -0.289 20.308
86 3HZ LYS 14 3HZ LYS 14 -11.716 -0.478 18.687
87 H CYS 15 H CYS 15 -9.371 5.427 19.682
88 HA CYS 15 HA CYS 15 -11.256 5.438 17.488
89 2HB CYS 15 2HB CYS 15 -8.436 6.071 16.934
90 H TRP 16 H TRP 16 -7.774 4.422 17.694
91 HA TRP 16 HA TRP 16 -8.001 1.740 17.505
92 2HB TRP 16 2HB TRP 16 -7.587 2.035 14.722
93 HD1 TRP 16 HD TRP 16 -7.673 -0.634 16.031
94 HE1 TRP 16 1HE TRP 16 -9.612 -2.422 15.920
95 HE3 TRP 16 3HE TRP 16 -11.344 2.653 14.777
96 HZ2 TRP 16 2HZ TRP 16 -12.401 -2.263 15.334
97 HZ3 TRP 16 3HZ TRP 16 -13.648 1.756 14.454
98 HH2 TRP 16 HH TRP 16 -14.202 -0.611 14.713
99 H VAL 17 H VAL 17 -6.157 2.948 18.775
100 HA VAL 17 HA VAL 17 -4.052 4.182 17.555
101 HB VAL 17 HB VAL 17 -2.718 3.273 19.467
102 1HG1 VAL 17 1HG1 VAL 17 -4.521 4.218 21.216
103 2HG1 VAL 17 2HG1 VAL 17 -3.630 5.268 20.088
104 3HG1 VAL 17 3HG1 VAL 17 -5.292 4.758 19.704
105 1HG2 VAL 17 1HG2 VAL 17 -5.134 1.543 19.706
106 2HG2 VAL 17 2HG2 VAL 17 -3.430 1.196 20.084
107 3HG2 VAL 17 3HG2 VAL 17 -4.416 2.153 21.216
108 H ASN 18 H ASN 18 -4.633 0.635 17.987
109 HA ASN 18 HA ASN 18 -2.898 0.235 15.714
110 2HB ASN 18 2HB ASN 18 -2.432 -1.893 17.654
111 1HD2 ASN 18 1HD2 ASN 18 -0.223 0.587 18.072
112 2HD2 ASN 18 2HD2 ASN 18 0.931 0.187 16.843
113 H ARG 19 H ARG 19 -3.416 -1.810 14.594
114 HA ARG 19 HA ARG 19 -5.974 -2.864 15.473
115 2HB ARG 19 2HB ARG 19 -5.909 -3.808 12.996
116 2HG ARG 19 2HG ARG 19 -6.218 -1.077 12.386
117 2HD ARG 19 2HD ARG 19 -8.691 -1.606 13.059
118 HE ARG 19 HE ARG 19 -7.095 -2.856 10.927
119 1HH1 ARG 19 2HH2 ARG 19 -10.317 -2.397 12.265
120 2HH1 ARG 19 1HH2 ARG 19 -11.126 -2.753 10.774
121 1HH2 ARG 19 2HH1 ARG 19 -8.160 -3.325 8.961
122 2HH2 ARG 19 1HH1 ARG 19 -9.890 -3.285 8.883
123 H GLY 20 H GLY 20 -2.876 -3.895 13.852
124 1HA GLY 20 1HA GLY 20 -2.092 -5.881 15.504
125 2HA GLY 20 2HA GLY 20 -3.325 -6.665 14.537
126 H GLU 21 H GLU 21 -3.118 -5.963 12.008
127 HA GLU 21 HA GLU 21 -0.914 -7.220 11.071
128 2HB GLU 21 2HB GLU 21 -2.265 -4.995 9.509
129 2HG GLU 21 2HG GLU 21 -0.642 -7.390 8.922
130 HE2 GLU 21 HE2 GLU 21 -2.684 -8.745 9.194
131 H ALA 22 H ALA 22 -1.380 -3.732 11.787
132 HA ALA 22 HA ALA 22 0.883 -2.734 10.559
133 1HB ALA 22 1HB ALA 22 0.597 -0.845 12.059
134 2HB ALA 22 2HB ALA 22 -1.011 -1.443 11.585
135 3HB ALA 22 3HB ALA 22 -0.353 -1.836 13.191
136 H THR 23 H THR 23 0.453 -4.004 13.933
137 HA THR 23 HA THR 23 3.125 -3.637 14.690
138 HB THR 23 HB THR 23 0.779 -5.339 15.617
139 HG1 THR 23 1HG THR 23 0.994 -3.727 17.309
140 1HG2 THR 23 1HG2 THR 23 3.573 -5.867 16.202
141 2HG2 THR 23 2HG2 THR 23 2.811 -5.151 17.642
142 3HG2 THR 23 3HG2 THR 23 2.136 -6.631 16.922
143 H GLN 24 H GLN 24 1.433 -6.574 13.406
144 HA GLN 24 HA GLN 24 3.425 -8.332 13.527
145 2HB GLN 24 2HB GLN 24 2.448 -9.398 11.495
146 2HG GLN 24 2HG GLN 24 0.069 -8.184 12.882
147 1HE2 GLN 24 1HE2 GLN 24 -1.079 -10.170 13.932
148 2HE2 GLN 24 2HE2 GLN 24 -1.245 -11.561 12.915
149 H SER 25 H SER 25 2.921 -5.995 10.784
150 HA SER 25 HA SER 25 5.067 -6.710 9.298
151 2HB SER 25 2HB SER 25 5.030 -4.289 8.493
152 HG SER 25 HG SER 25 2.390 -4.588 8.350
153 H ILE 26 H ILE 26 7.295 -6.450 9.431
154 HA ILE 26 HA ILE 26 8.390 -5.649 11.903
155 HB ILE 26 HB ILE 26 10.537 -6.049 10.802
156 2HG1 ILE 26 2HG1 ILE 26 8.904 -5.754 8.367
157 1HG2 ILE 26 1HG2 ILE 26 10.326 -8.310 10.869
158 2HG2 ILE 26 2HG2 ILE 26 8.755 -7.872 11.581
159 3HG2 ILE 26 3HG2 ILE 26 8.858 -8.322 9.862
160 1HD1 ILE 26 1HD1 ILE 26 10.715 -4.524 7.750
161 2HD1 ILE 26 2HD1 ILE 26 11.263 -4.705 9.433
162 3HD1 ILE 26 3HD1 ILE 26 11.844 -5.829 8.182
163 H ILE 27 H ILE 27 7.968 -4.078 8.704
164 HA ILE 27 HA ILE 27 9.608 -1.893 9.129
165 HB ILE 27 HB ILE 27 7.897 -0.789 7.527
166 2HG1 ILE 27 2HG1 ILE 27 6.175 -2.643 8.230
167 1HG2 ILE 27 1HG2 ILE 27 8.985 -3.183 6.194
168 2HG2 ILE 27 2HG2 ILE 27 9.257 -1.454 5.870
169 3HG2 ILE 27 3HG2 ILE 27 10.157 -2.267 7.173
170 1HD1 ILE 27 1HD1 ILE 27 6.008 -0.813 6.399
171 2HD1 ILE 27 2HD1 ILE 27 6.487 -2.091 5.258
172 3HD1 ILE 27 3HD1 ILE 27 4.987 -2.256 6.199
173 H GLY 28 H GLY 28 6.318 -2.638 10.301
174 1HA GLY 28 1HA GLY 28 5.024 -1.628 11.835
175 2HA GLY 28 2HA GLY 28 6.484 -0.904 12.480
176 H GLY 29 H GLY 29 3.678 -0.460 10.368
177 1HA GLY 29 1HA GLY 29 4.474 2.064 9.290
178 2HA GLY 29 2HA GLY 29 2.880 1.336 9.251
179 H MET 30 H MET 30 2.012 1.074 11.789
180 HA MET 30 HA MET 30 1.326 3.630 12.500
181 2HB MET 30 2HB MET 30 0.906 2.263 14.827
182 2HG MET 30 2HG MET 30 -1.146 1.223 13.686
183 1HE MET 30 1HE MET 30 -1.723 4.683 11.531
184 2HE MET 30 2HE MET 30 -2.179 2.962 11.510
185 3HE MET 30 3HE MET 30 -3.202 4.143 12.363
186 H ILE 31 H ILE 31 3.763 1.410 14.028
187 HA ILE 31 HA ILE 31 4.547 3.110 16.055
188 HB ILE 31 HB ILE 31 5.127 0.787 16.006
189 2HG1 ILE 31 2HG1 ILE 31 6.564 2.247 17.314
190 1HG2 ILE 31 1HG2 ILE 31 5.518 0.944 13.390
191 2HG2 ILE 31 2HG2 ILE 31 7.213 1.137 13.899
192 3HG2 ILE 31 3HG2 ILE 31 6.298 -0.311 14.383
193 1HD1 ILE 31 1HD1 ILE 31 8.720 0.891 17.163
194 2HD1 ILE 31 2HD1 ILE 31 7.238 -0.078 17.348
195 3HD1 ILE 31 3HD1 ILE 31 8.014 0.066 15.753
196 H SER 32 H SER 32 5.980 2.714 12.741
197 HA SER 32 HA SER 32 7.963 4.490 12.906
198 2HB SER 32 2HB SER 32 6.936 5.036 10.377
199 HG SER 32 HG SER 32 8.762 3.260 11.511
200 H GLY 33 H GLY 33 4.458 5.159 12.634
201 1HA GLY 33 1HA GLY 33 4.738 7.956 12.119
202 2HA GLY 33 2HA GLY 33 3.286 7.093 12.583
203 H TRP 34 H TRP 34 4.401 5.868 15.030
204 HA TRP 34 HA TRP 34 3.772 7.894 16.841
205 2HB TRP 34 2HB TRP 34 5.348 5.387 17.429
206 HD1 TRP 34 HD TRP 34 2.662 7.832 18.895
207 HE1 TRP 34 1HE TRP 34 2.806 7.883 21.529
208 HE3 TRP 34 3HE TRP 34 6.314 4.315 19.288
209 HZ2 TRP 34 2HZ TRP 34 4.396 6.480 23.439
210 HZ3 TRP 34 3HZ TRP 34 7.106 3.713 21.574
211 HH2 TRP 34 HH TRP 34 6.208 4.733 23.606
212 H ALA 35 H ALA 35 6.964 6.313 16.072
213 HA ALA 35 HA ALA 35 8.492 8.066 17.603
214 1HB ALA 35 1HB ALA 35 9.126 5.802 16.627
215 2HB ALA 35 2HB ALA 35 9.360 6.630 15.069
216 3HB ALA 35 3HB ALA 35 10.361 7.074 16.473
217 H SER 36 H SER 36 7.337 8.198 14.198
218 HA SER 36 HA SER 36 8.888 10.360 13.446
219 2HB SER 36 2HB SER 36 6.647 10.647 11.896
220 HG SER 36 HG SER 36 8.389 8.378 11.533
221 H GLY 37 H GLY 37 5.799 10.087 15.219
222 1HA GLY 37 1HA GLY 37 5.003 12.797 14.991
223 2HA GLY 37 2HA GLY 37 4.450 11.621 16.167
224 H LEU 38 H LEU 38 6.584 10.934 17.695
225 HA LEU 38 HA LEU 38 6.955 13.212 19.290
226 2HB LEU 38 2HB LEU 38 6.866 11.040 20.260
227 HG LEU 38 HG LEU 38 8.206 9.945 18.232
228 1HD1 LEU 38 1HD1 LEU 38 10.451 9.649 20.088
229 2HD1 LEU 38 2HD1 LEU 38 10.436 9.922 18.329
230 3HD1 LEU 38 3HD1 LEU 38 10.275 11.300 19.446
231 1HD2 LEU 38 1HD2 LEU 38 7.407 9.134 20.862
232 2HD2 LEU 38 2HD2 LEU 38 7.518 8.171 19.369
233 3HD2 LEU 38 3HD2 LEU 38 8.933 8.324 20.437
234 H ALA 39 H ALA 39 9.141 11.423 17.024
235 HA ALA 39 HA ALA 39 11.333 13.139 17.468
236 1HB ALA 39 1HB ALA 39 12.387 11.837 15.852
237 2HB ALA 39 2HB ALA 39 11.116 10.726 16.415
238 3HB ALA 39 3HB ALA 39 10.900 11.629 14.896
239 H GLY 40 H GLY 40 8.441 13.259 15.407
240 1HA GLY 40 1HA GLY 40 9.390 15.226 13.591
241 2HA GLY 40 2HA GLY 40 7.726 14.766 13.891
242 H MET 41 H MET 41 10.470 16.630 15.354
243 HA MET 41 HA MET 41 8.661 18.091 16.998
244 2HB MET 41 2HB MET 41 11.429 19.138 16.526
245 2HG MET 41 2HG MET 41 10.544 18.022 19.162
246 1HE MET 41 1HE MET 41 9.980 21.382 19.526
247 2HE MET 41 2HE MET 41 11.502 22.305 19.528
248 3HE MET 41 3HE MET 41 10.733 21.861 17.985
Start of MODEL 13
1 1H ALA 1 1H ALA 1 -20.331 5.241 2.059
2 HA ALA 1 HA ALA 1 -21.294 3.798 3.946
3 1HB ALA 1 1HB ALA 1 -19.800 1.537 2.784
4 2HB ALA 1 2HB ALA 1 -21.389 1.566 3.587
5 3HB ALA 1 3HB ALA 1 -21.257 1.979 1.861
6 H ARG 2 H ARG 2 -19.827 5.430 4.784
7 HA ARG 2 HA ARG 2 -17.208 5.634 4.338
8 2HB ARG 2 2HB ARG 2 -17.833 5.772 7.235
9 2HG ARG 2 2HG ARG 2 -16.209 7.131 5.432
10 2HD ARG 2 2HD ARG 2 -18.683 8.340 5.068
11 HE ARG 2 HE ARG 2 -17.533 9.492 7.485
12 1HH1 ARG 2 2HH2 ARG 2 -19.378 10.239 4.583
13 2HH1 ARG 2 1HH2 ARG 2 -20.138 11.635 5.271
14 1HH2 ARG 2 2HH1 ARG 2 -18.535 11.333 8.394
15 2HH2 ARG 2 1HH1 ARG 2 -19.656 12.262 7.453
16 H SER 3 H SER 3 -15.250 4.695 5.185
17 HA SER 3 HA SER 3 -15.274 2.750 7.171
18 2HB SER 3 2HB SER 3 -16.235 1.132 5.777
19 HG SER 3 HG SER 3 -16.377 1.505 3.683
20 H TYR 4 H TYR 4 -13.764 3.916 4.102
21 HA TYR 4 HA TYR 4 -11.648 4.308 3.538
22 2HB TYR 4 2HB TYR 4 -10.359 5.359 5.618
23 HD1 TYR 4 1HD TYR 4 -13.793 6.410 6.239
24 HD2 TYR 4 2HD TYR 4 -10.363 7.018 3.755
25 HE1 TYR 4 1HE TYR 4 -14.755 8.624 5.439
26 HE2 TYR 4 2HE TYR 4 -11.337 9.229 2.963
27 HH TYR 4 HH TYR 4 -13.291 10.932 4.342
28 H GLY 5 H GLY 5 -9.162 4.029 4.409
29 1HA GLY 5 1HA GLY 5 -8.575 1.355 4.298
30 2HA GLY 5 2HA GLY 5 -7.523 2.590 4.960
31 H ASN 6 H ASN 6 -8.159 3.349 7.310
32 HA ASN 6 HA ASN 6 -9.636 1.662 8.917
33 2HB ASN 6 2HB ASN 6 -6.819 1.206 9.757
34 1HD2 ASN 6 1HD2 ASN 6 -7.514 0.363 11.610
35 2HD2 ASN 6 2HD2 ASN 6 -8.556 -1.011 11.776
36 H GLY 7 H GLY 7 -10.258 3.502 10.108
37 1HA GLY 7 1HA GLY 7 -9.206 4.563 12.207
38 2HA GLY 7 2HA GLY 7 -8.144 5.325 11.040
39 H VAL 8 H VAL 8 -11.690 4.554 10.874
40 HA VAL 8 HA VAL 8 -12.262 7.405 10.928
41 HB VAL 8 HB VAL 8 -12.638 5.570 8.592
42 1HG1 VAL 8 1HG1 VAL 8 -14.832 6.112 8.529
43 2HG1 VAL 8 2HG1 VAL 8 -14.630 7.503 9.621
44 3HG1 VAL 8 3HG1 VAL 8 -14.233 7.663 7.893
45 1HG2 VAL 8 1HG2 VAL 8 -11.780 7.377 7.324
46 2HG2 VAL 8 2HG2 VAL 8 -12.064 8.542 8.640
47 3HG2 VAL 8 3HG2 VAL 8 -10.786 7.313 8.799
48 H TYR 9 H TYR 9 -14.275 4.652 9.779
49 HA TYR 9 HA TYR 9 -16.517 5.160 11.111
50 2HB TYR 9 2HB TYR 9 -16.246 3.233 9.617
51 HD1 TYR 9 1HD TYR 9 -15.123 1.250 12.480
52 HD2 TYR 9 2HD TYR 9 -13.933 3.019 8.771
53 HE1 TYR 9 1HE TYR 9 -13.035 -0.200 12.449
54 HE2 TYR 9 2HE TYR 9 -11.849 1.563 8.753
55 HH TYR 9 HH TYR 9 -10.469 0.370 10.930
56 H CYS 10 H CYS 10 -13.651 3.455 12.517
57 HA CYS 10 HA CYS 10 -13.030 3.133 14.597
58 2HB CYS 10 2HB CYS 10 -14.450 4.564 16.380
59 H ASN 11 H ASN 11 -13.922 2.244 16.821
60 HA ASN 11 HA ASN 11 -15.761 0.223 16.150
61 2HB ASN 11 2HB ASN 11 -14.041 -0.332 17.749
62 1HD2 ASN 11 1HD2 ASN 11 -14.797 0.221 20.620
63 2HD2 ASN 11 2HD2 ASN 11 -14.015 1.711 21.028
64 H ASN 12 H ASN 12 -15.750 3.172 18.264
65 HA ASN 12 HA ASN 12 -18.553 3.434 17.908
66 2HB ASN 12 2HB ASN 12 -19.169 2.336 19.823
67 1HD2 ASN 12 1HD2 ASN 12 -17.021 3.147 22.161
68 2HD2 ASN 12 2HD2 ASN 12 -15.993 1.755 22.181
69 H LYS 13 H LYS 13 -16.628 4.413 20.801
70 HA LYS 13 HA LYS 13 -16.870 7.185 19.937
71 2HB LYS 13 2HB LYS 13 -16.488 7.765 22.227
72 2HG LYS 13 2HG LYS 13 -18.516 5.787 21.465
73 2HD LYS 13 2HD LYS 13 -17.546 4.542 23.413
74 2HE LYS 13 2HE LYS 13 -17.870 7.256 24.687
75 1HZ LYS 13 1HZ LYS 13 -18.375 6.405 26.698
76 2HZ LYS 13 2HZ LYS 13 -19.229 5.349 25.793
77 3HZ LYS 13 3HZ LYS 13 -17.772 4.919 26.391
78 H LYS 14 H LYS 14 -14.409 4.791 21.090
79 HA LYS 14 HA LYS 14 -12.322 6.629 20.231
80 2HB LYS 14 2HB LYS 14 -10.810 5.194 21.434
81 2HG LYS 14 2HG LYS 14 -13.318 6.174 22.693
82 2HD LYS 14 2HD LYS 14 -12.888 5.145 24.872
83 2HE LYS 14 2HE LYS 14 -13.902 3.746 22.657
84 1HZ LYS 14 1HZ LYS 14 -12.718 1.619 24.071
85 2HZ LYS 14 2HZ LYS 14 -12.777 1.877 22.459
86 3HZ LYS 14 3HZ LYS 14 -11.570 2.527 23.347
87 H CYS 15 H CYS 15 -10.576 4.112 19.805
88 HA CYS 15 HA CYS 15 -11.727 3.048 17.387
89 2HB CYS 15 2HB CYS 15 -9.106 3.825 16.634
90 H TRP 16 H TRP 16 -8.261 3.387 18.321
91 HA TRP 16 HA TRP 16 -8.076 1.089 19.884
92 2HB TRP 16 2HB TRP 16 -8.226 -0.572 18.440
93 HD1 TRP 16 HD TRP 16 -7.061 1.853 15.605
94 HE1 TRP 16 1HE TRP 16 -8.808 1.870 13.627
95 HE3 TRP 16 3HE TRP 16 -10.436 -1.206 17.863
96 HZ2 TRP 16 2HZ TRP 16 -11.348 0.629 13.238
97 HZ3 TRP 16 3HZ TRP 16 -12.524 -1.753 16.616
98 HH2 TRP 16 HH TRP 16 -13.006 -0.889 14.381
99 H VAL 17 H VAL 17 -5.458 0.263 19.221
100 HA VAL 17 HA VAL 17 -3.943 2.745 18.963
101 HB VAL 17 HB VAL 17 -4.081 0.932 21.334
102 1HG1 VAL 17 1HG1 VAL 17 -1.767 2.303 21.829
103 2HG1 VAL 17 2HG1 VAL 17 -1.848 0.615 21.274
104 3HG1 VAL 17 3HG1 VAL 17 -1.589 1.927 20.099
105 1HG2 VAL 17 1HG2 VAL 17 -4.581 2.818 22.455
106 2HG2 VAL 17 2HG2 VAL 17 -3.303 3.753 21.645
107 3HG2 VAL 17 3HG2 VAL 17 -4.876 3.520 20.847
108 H ASN 18 H ASN 18 -3.716 -0.844 19.505
109 HA ASN 18 HA ASN 18 -2.266 -1.071 17.071
110 2HB ASN 18 2HB ASN 18 -0.691 -2.402 19.176
111 1HD2 ASN 18 1HD2 ASN 18 1.377 -0.355 18.971
112 2HD2 ASN 18 2HD2 ASN 18 2.032 -0.439 17.369
113 H ARG 19 H ARG 19 -3.109 -2.977 16.216
114 HA ARG 19 HA ARG 19 -4.228 -4.853 18.105
115 2HB ARG 19 2HB ARG 19 -4.476 -5.029 15.076
116 2HG ARG 19 2HG ARG 19 -6.000 -6.019 17.491
117 2HD ARG 19 2HD ARG 19 -7.901 -6.565 15.856
118 HE ARG 19 HE ARG 19 -7.357 -3.897 16.982
119 1HH1 ARG 19 2HH2 ARG 19 -9.699 -5.971 15.371
120 2HH1 ARG 19 1HH2 ARG 19 -11.066 -5.037 15.878
121 1HH2 ARG 19 2HH1 ARG 19 -9.162 -2.665 17.652
122 2HH2 ARG 19 1HH1 ARG 19 -10.759 -3.145 17.185
123 H GLY 20 H GLY 20 -2.222 -4.829 15.063
124 1HA GLY 20 1HA GLY 20 -0.191 -6.465 16.005
125 2HA GLY 20 2HA GLY 20 -1.394 -7.531 15.306
126 H GLU 21 H GLU 21 -2.414 -6.129 13.143
127 HA GLU 21 HA GLU 21 -0.571 -6.590 11.210
128 2HB GLU 21 2HB GLU 21 -2.064 -5.259 9.720
129 2HG GLU 21 2HG GLU 21 -4.137 -6.507 10.149
130 HE2 GLU 21 HE2 GLU 21 -2.363 -7.785 8.489
131 H ALA 22 H ALA 22 -1.375 -3.458 12.840
132 HA ALA 22 HA ALA 22 0.378 -1.894 11.317
133 1HB ALA 22 1HB ALA 22 -1.582 -1.288 12.953
134 2HB ALA 22 2HB ALA 22 -0.311 -1.314 14.198
135 3HB ALA 22 3HB ALA 22 -0.185 -0.194 12.821
136 H THR 23 H THR 23 0.770 -3.805 14.344
137 HA THR 23 HA THR 23 3.400 -2.876 14.861
138 HB THR 23 HB THR 23 1.492 -4.976 15.862
139 HG1 THR 23 1HG THR 23 1.829 -2.726 16.681
140 1HG2 THR 23 1HG2 THR 23 4.478 -4.927 16.548
141 2HG2 THR 23 2HG2 THR 23 3.235 -5.904 17.366
142 3HG2 THR 23 3HG2 THR 23 3.662 -6.244 15.671
143 H GLN 24 H GLN 24 2.307 -6.158 13.755
144 HA GLN 24 HA GLN 24 4.769 -7.072 13.122
145 2HB GLN 24 2HB GLN 24 2.801 -8.510 13.132
146 2HG GLN 24 2HG GLN 24 1.636 -6.462 11.562
147 1HE2 GLN 24 1HE2 GLN 24 0.596 -6.393 9.608
148 2HE2 GLN 24 2HE2 GLN 24 0.977 -7.430 8.273
149 H SER 25 H SER 25 2.764 -4.732 11.382
150 HA SER 25 HA SER 25 3.720 -4.934 8.866
151 2HB SER 25 2HB SER 25 3.576 -2.136 9.495
152 HG SER 25 HG SER 25 1.226 -3.501 8.710
153 H ILE 26 H ILE 26 5.662 -4.517 7.821
154 HA ILE 26 HA ILE 26 7.951 -4.057 9.415
155 HB ILE 26 HB ILE 26 9.068 -3.955 7.144
156 2HG1 ILE 26 2HG1 ILE 26 6.473 -3.485 6.240
157 1HG2 ILE 26 1HG2 ILE 26 9.058 -5.979 8.440
158 2HG2 ILE 26 2HG2 ILE 26 7.395 -6.355 7.928
159 3HG2 ILE 26 3HG2 ILE 26 8.720 -6.385 6.739
160 1HD1 ILE 26 1HD1 ILE 26 9.189 -3.872 5.152
161 2HD1 ILE 26 2HD1 ILE 26 7.908 -4.319 4.000
162 3HD1 ILE 26 3HD1 ILE 26 7.945 -2.681 4.701
163 H ILE 27 H ILE 27 5.833 -2.031 7.367
164 HA ILE 27 HA ILE 27 7.529 0.185 7.224
165 HB ILE 27 HB ILE 27 5.375 -0.418 5.939
166 2HG1 ILE 27 2HG1 ILE 27 6.877 1.874 6.193
167 1HG2 ILE 27 1HG2 ILE 27 3.787 -0.617 7.686
168 2HG2 ILE 27 2HG2 ILE 27 4.234 0.963 8.375
169 3HG2 ILE 27 3HG2 ILE 27 3.387 0.881 6.811
170 1HD1 ILE 27 1HD1 ILE 27 6.228 2.210 4.009
171 2HD1 ILE 27 2HD1 ILE 27 5.543 0.579 4.204
172 3HD1 ILE 27 3HD1 ILE 27 4.499 2.010 4.383
173 H GLY 28 H GLY 28 5.273 -1.003 9.727
174 1HA GLY 28 1HA GLY 28 4.792 -0.242 11.792
175 2HA GLY 28 2HA GLY 28 6.490 0.179 11.863
176 H GLY 29 H GLY 29 3.205 1.366 11.511
177 1HA GLY 29 1HA GLY 29 3.865 4.008 10.643
178 2HA GLY 29 2HA GLY 29 2.337 3.442 11.288
179 H MET 30 H MET 30 3.059 2.465 13.831
180 HA MET 30 HA MET 30 3.117 4.819 15.275
181 2HB MET 30 2HB MET 30 3.845 2.956 17.138
182 2HG MET 30 2HG MET 30 1.259 2.100 16.641
183 1HE MET 30 1HE MET 30 -0.149 5.232 17.252
184 2HE MET 30 2HE MET 30 0.811 6.134 18.448
185 3HE MET 30 3HE MET 30 1.453 5.870 16.809
186 H ILE 31 H ILE 31 5.701 2.316 14.759
187 HA ILE 31 HA ILE 31 7.648 3.513 16.304
188 HB ILE 31 HB ILE 31 7.823 1.263 15.500
189 2HG1 ILE 31 2HG1 ILE 31 9.903 2.390 16.055
190 1HG2 ILE 31 1HG2 ILE 31 6.769 2.012 13.187
191 2HG2 ILE 31 2HG2 ILE 31 8.482 2.087 12.707
192 3HG2 ILE 31 3HG2 ILE 31 7.798 0.566 13.327
193 1HD1 ILE 31 1HD1 ILE 31 10.052 0.657 13.548
194 2HD1 ILE 31 2HD1 ILE 31 11.462 1.094 14.543
195 3HD1 ILE 31 3HD1 ILE 31 10.154 0.107 15.238
196 H SER 32 H SER 32 7.025 3.883 12.743
197 HA SER 32 HA SER 32 8.984 5.567 12.109
198 2HB SER 32 2HB SER 32 6.078 5.901 11.238
199 HG SER 32 HG SER 32 7.724 7.535 10.520
200 H GLY 33 H GLY 33 6.037 6.299 14.003
201 1HA GLY 33 1HA GLY 33 6.363 9.137 13.973
202 2HA GLY 33 2HA GLY 33 5.313 8.191 15.007
203 H TRP 34 H TRP 34 7.329 6.433 16.164
204 HA TRP 34 HA TRP 34 8.134 8.005 18.313
205 2HB TRP 34 2HB TRP 34 9.342 5.372 17.466
206 HD1 TRP 34 HD TRP 34 8.342 7.505 20.595
207 HE1 TRP 34 1HE TRP 34 9.919 6.941 22.634
208 HE3 TRP 34 3HE TRP 34 10.989 3.870 18.219
209 HZ2 TRP 34 2HZ TRP 34 12.048 5.079 23.016
210 HZ3 TRP 34 3HZ TRP 34 12.799 2.729 19.497
211 HH2 TRP 34 HH TRP 34 13.345 3.281 21.815
212 H ALA 35 H ALA 35 10.096 6.526 15.622
213 HA ALA 35 HA ALA 35 12.469 7.812 16.292
214 1HB ALA 35 1HB ALA 35 11.559 6.986 13.510
215 2HB ALA 35 2HB ALA 35 13.224 7.063 14.137
216 3HB ALA 35 3HB ALA 35 12.100 5.827 14.748
217 H SER 36 H SER 36 9.672 8.806 14.265
218 HA SER 36 HA SER 36 10.926 11.051 13.196
219 2HB SER 36 2HB SER 36 7.972 10.459 13.667
220 HG SER 36 HG SER 36 7.650 12.414 12.873
221 H GLY 37 H GLY 37 9.184 10.394 16.242
222 1HA GLY 37 1HA GLY 37 8.755 13.089 17.009
223 2HA GLY 37 2HA GLY 37 8.731 11.672 18.041
224 H LEU 38 H LEU 38 11.219 10.619 18.062
225 HA LEU 38 HA LEU 38 12.651 12.333 19.692
226 2HB LEU 38 2HB LEU 38 12.938 9.997 19.870
227 HG LEU 38 HG LEU 38 12.689 9.600 17.271
228 1HD1 LEU 38 1HD1 LEU 38 15.566 9.066 17.178
229 2HD1 LEU 38 2HD1 LEU 38 14.487 9.787 15.960
230 3HD1 LEU 38 3HD1 LEU 38 15.168 10.799 17.256
231 1HD2 LEU 38 1HD2 LEU 38 14.047 8.021 19.394
232 2HD2 LEU 38 2HD2 LEU 38 12.585 7.663 18.446
233 3HD2 LEU 38 3HD2 LEU 38 14.195 7.435 17.721
234 H ALA 39 H ALA 39 13.136 11.510 16.194
235 HA ALA 39 HA ALA 39 15.330 13.264 15.906
236 1HB ALA 39 1HB ALA 39 14.241 11.219 14.462
237 2HB ALA 39 2HB ALA 39 13.660 12.622 13.534
238 3HB ALA 39 3HB ALA 39 15.405 12.394 13.802
239 H GLY 40 H GLY 40 11.804 13.622 15.824
240 1HA GLY 40 1HA GLY 40 11.841 16.164 14.478
241 2HA GLY 40 2HA GLY 40 10.479 15.376 15.251
242 H MET 41 H MET 41 13.670 16.880 16.153
243 HA MET 41 HA MET 41 14.252 18.186 17.789
244 2HB MET 41 2HB MET 41 11.856 19.438 18.699
245 2HG MET 41 2HG MET 41 12.973 20.686 16.287
246 1HE MET 41 1HE MET 41 14.804 23.195 18.297
247 2HE MET 41 2HE MET 41 14.283 22.672 16.678
248 3HE MET 41 3HE MET 41 13.399 23.966 17.522
Start of MODEL 14
1 1H ALA 1 1H ALA 1 -23.331 3.339 12.991
2 HA ALA 1 HA ALA 1 -21.867 4.233 14.816
3 1HB ALA 1 1HB ALA 1 -23.334 3.903 16.673
4 2HB ALA 1 2HB ALA 1 -23.560 2.181 16.282
5 3HB ALA 1 3HB ALA 1 -21.993 2.755 16.899
6 H ARG 2 H ARG 2 -22.850 0.729 14.701
7 HA ARG 2 HA ARG 2 -21.607 -1.045 14.387
8 2HB ARG 2 2HB ARG 2 -22.269 -0.323 12.066
9 2HG ARG 2 2HG ARG 2 -20.053 0.468 10.754
10 2HD ARG 2 2HD ARG 2 -22.271 1.965 12.094
11 HE ARG 2 HE ARG 2 -20.756 3.740 12.470
12 1HH1 ARG 2 2HH2 ARG 2 -20.299 2.404 9.247
13 2HH1 ARG 2 1HH2 ARG 2 -19.279 3.699 8.716
14 1HH2 ARG 2 2HH1 ARG 2 -19.410 5.450 11.770
15 2HH2 ARG 2 1HH1 ARG 2 -18.770 5.442 10.160
16 H SER 3 H SER 3 -19.085 -1.366 12.890
17 HA SER 3 HA SER 3 -17.122 0.346 13.802
18 2HB SER 3 2HB SER 3 -17.500 -2.148 15.515
19 HG SER 3 HG SER 3 -15.229 -0.634 14.936
20 H TYR 4 H TYR 4 -18.120 -3.008 12.991
21 HA TYR 4 HA TYR 4 -17.075 -4.636 11.859
22 2HB TYR 4 2HB TYR 4 -16.094 -3.463 9.627
23 HD1 TYR 4 1HD TYR 4 -17.637 -5.379 9.061
24 HD2 TYR 4 2HD TYR 4 -19.099 -1.543 10.267
25 HE1 TYR 4 1HE TYR 4 -19.923 -5.939 8.099
26 HE2 TYR 4 2HE TYR 4 -21.379 -2.116 9.300
27 HH TYR 4 HH TYR 4 -22.675 -3.984 8.737
28 H GLY 5 H GLY 5 -15.394 -5.218 13.366
29 1HA GLY 5 1HA GLY 5 -13.273 -5.492 14.065
30 2HA GLY 5 2HA GLY 5 -12.851 -5.366 12.369
31 H ASN 6 H ASN 6 -12.055 -3.377 11.496
32 HA ASN 6 HA ASN 6 -11.871 -1.160 13.314
33 2HB ASN 6 2HB ASN 6 -9.281 -1.897 11.971
34 1HD2 ASN 6 1HD2 ASN 6 -8.479 -2.300 14.919
35 2HD2 ASN 6 2HD2 ASN 6 -8.294 -0.695 15.543
36 H GLY 7 H GLY 7 -11.210 0.852 12.110
37 1HA GLY 7 1HA GLY 7 -10.978 2.166 10.283
38 2HA GLY 7 2HA GLY 7 -10.701 0.746 9.297
39 H VAL 8 H VAL 8 -13.364 2.422 11.115
40 HA VAL 8 HA VAL 8 -15.015 2.376 8.790
41 HB VAL 8 HB VAL 8 -15.435 0.421 11.018
42 1HG1 VAL 8 1HG1 VAL 8 -17.853 0.259 9.985
43 2HG1 VAL 8 2HG1 VAL 8 -17.495 1.433 11.275
44 3HG1 VAL 8 3HG1 VAL 8 -17.568 1.969 9.578
45 1HG2 VAL 8 1HG2 VAL 8 -15.302 0.403 8.042
46 2HG2 VAL 8 2HG2 VAL 8 -14.697 -0.779 9.228
47 3HG2 VAL 8 3HG2 VAL 8 -16.426 -0.745 8.809
48 H TYR 9 H TYR 9 -15.677 2.277 12.358
49 HA TYR 9 HA TYR 9 -17.435 4.365 12.406
50 2HB TYR 9 2HB TYR 9 -17.006 2.889 14.323
51 HD1 TYR 9 1HD TYR 9 -14.217 5.110 15.212
52 HD2 TYR 9 2HD TYR 9 -15.298 1.174 13.930
53 HE1 TYR 9 1HE TYR 9 -11.897 4.266 15.823
54 HE2 TYR 9 2HE TYR 9 -12.975 0.344 14.544
55 HH TYR 9 HH TYR 9 -11.174 0.919 15.948
56 H CYS 10 H CYS 10 -13.833 4.478 12.757
57 HA CYS 10 HA CYS 10 -12.406 6.114 12.400
58 2HB CYS 10 2HB CYS 10 -14.379 8.154 11.533
59 H ASN 11 H ASN 11 -11.525 7.756 13.761
60 HA ASN 11 HA ASN 11 -12.873 8.104 16.180
61 2HB ASN 11 2HB ASN 11 -10.576 9.875 15.257
62 1HD2 ASN 11 1HD2 ASN 11 -9.487 10.754 16.907
63 2HD2 ASN 11 2HD2 ASN 11 -9.868 10.556 18.585
64 H ASN 12 H ASN 12 -11.649 10.578 13.785
65 HA ASN 12 HA ASN 12 -14.139 11.910 13.772
66 2HB ASN 12 2HB ASN 12 -13.041 14.128 14.614
67 1HD2 ASN 12 1HD2 ASN 12 -12.183 11.750 16.990
68 2HD2 ASN 12 2HD2 ASN 12 -13.606 11.844 17.975
69 H LYS 13 H LYS 13 -10.717 13.145 13.647
70 HA LYS 13 HA LYS 13 -11.161 13.833 10.844
71 2HB LYS 13 2HB LYS 13 -10.509 15.708 12.146
72 2HG LYS 13 2HG LYS 13 -7.932 15.197 13.119
73 2HD LYS 13 2HD LYS 13 -10.242 14.777 14.987
74 2HE LYS 13 2HE LYS 13 -7.589 16.114 14.927
75 1HZ LYS 13 1HZ LYS 13 -9.876 17.607 15.541
76 2HZ LYS 13 2HZ LYS 13 -8.991 17.398 16.898
77 3HZ LYS 13 3HZ LYS 13 -8.311 18.073 15.575
78 H LYS 14 H LYS 14 -9.162 11.860 13.050
79 HA LYS 14 HA LYS 14 -7.472 11.020 10.858
80 2HB LYS 14 2HB LYS 14 -6.232 9.815 12.549
81 2HG LYS 14 2HG LYS 14 -7.151 12.564 13.516
82 2HD LYS 14 2HD LYS 14 -4.875 12.591 14.628
83 2HE LYS 14 2HE LYS 14 -5.517 11.139 16.550
84 1HZ LYS 14 1HZ LYS 14 -7.962 12.312 15.455
85 2HZ LYS 14 2HZ LYS 14 -7.479 12.241 17.014
86 3HZ LYS 14 3HZ LYS 14 -6.733 13.256 15.974
87 H CYS 15 H CYS 15 -7.147 8.266 11.731
88 HA CYS 15 HA CYS 15 -9.472 6.849 11.945
89 2HB CYS 15 2HB CYS 15 -8.882 6.481 9.103
90 H TRP 16 H TRP 16 -8.620 4.944 12.707
91 HA TRP 16 HA TRP 16 -6.020 4.127 11.604
92 2HB TRP 16 2HB TRP 16 -5.654 4.625 13.847
93 HD1 TRP 16 HD TRP 16 -8.296 1.897 14.703
94 HE1 TRP 16 1HE TRP 16 -9.933 2.742 16.594
95 HE3 TRP 16 3HE TRP 16 -6.445 6.627 14.919
96 HZ2 TRP 16 2HZ TRP 16 -10.261 5.239 17.937
97 HZ3 TRP 16 3HZ TRP 16 -7.479 8.207 16.548
98 HH2 TRP 16 HH TRP 16 -9.323 7.579 18.024
99 H VAL 17 H VAL 17 -5.738 1.656 11.629
100 HA VAL 17 HA VAL 17 -8.003 0.000 11.769
101 HB VAL 17 HB VAL 17 -8.794 1.067 9.813
102 1HG1 VAL 17 1HG1 VAL 17 -6.013 0.696 8.654
103 2HG1 VAL 17 2HG1 VAL 17 -7.430 1.264 7.738
104 3HG1 VAL 17 3HG1 VAL 17 -6.797 2.232 9.091
105 1HG2 VAL 17 1HG2 VAL 17 -7.400 -1.428 8.804
106 2HG2 VAL 17 2HG2 VAL 17 -8.812 -1.461 9.887
107 3HG2 VAL 17 3HG2 VAL 17 -8.952 -0.743 8.265
108 H ASN 18 H ASN 18 -4.785 0.684 10.303
109 HA ASN 18 HA ASN 18 -4.112 -2.083 10.930
110 2HB ASN 18 2HB ASN 18 -2.223 -1.671 9.182
111 1HD2 ASN 18 1HD2 ASN 18 -2.688 -2.062 6.858
112 2HD2 ASN 18 2HD2 ASN 18 -4.146 -2.894 6.433
113 H ARG 19 H ARG 19 -3.408 -1.527 13.114
114 HA ARG 19 HA ARG 19 -1.223 0.385 13.197
115 2HB ARG 19 2HB ARG 19 -1.917 -0.309 15.853
116 2HG ARG 19 2HG ARG 19 -2.250 2.015 14.016
117 2HD ARG 19 2HD ARG 19 -4.560 1.799 15.000
118 HE ARG 19 HE ARG 19 -3.053 1.447 17.491
119 1HH1 ARG 19 2HH2 ARG 19 -6.127 2.429 16.087
120 2HH1 ARG 19 1HH2 ARG 19 -7.030 2.130 17.536
121 1HH2 ARG 19 2HH1 ARG 19 -4.243 1.051 19.402
122 2HH2 ARG 19 1HH1 ARG 19 -5.951 1.341 19.433
123 H GLY 20 H GLY 20 -2.330 -2.773 14.638
124 1HA GLY 20 1HA GLY 20 0.061 -3.550 15.800
125 2HA GLY 20 2HA GLY 20 -1.200 -4.623 15.225
126 H GLU 21 H GLU 21 -1.260 -4.568 12.559
127 HA GLU 21 HA GLU 21 0.890 -6.015 11.779
128 2HB GLU 21 2HB GLU 21 -0.631 -4.274 9.815
129 2HG GLU 21 2HG GLU 21 0.844 -6.874 9.801
130 HE2 GLU 21 HE2 GLU 21 -0.296 -8.607 9.531
131 H ALA 22 H ALA 22 0.392 -2.461 11.634
132 HA ALA 22 HA ALA 22 2.508 -1.795 9.990
133 1HB ALA 22 1HB ALA 22 2.271 0.407 10.931
134 2HB ALA 22 2HB ALA 22 0.648 -0.321 10.890
135 3HB ALA 22 3HB ALA 22 1.550 -0.242 12.422
136 H THR 23 H THR 23 2.416 -2.187 13.598
137 HA THR 23 HA THR 23 5.153 -1.647 13.959
138 HB THR 23 HB THR 23 2.902 -2.933 15.541
139 HG1 THR 23 1HG THR 23 3.069 -0.628 15.490
140 1HG2 THR 23 1HG2 THR 23 5.862 -2.763 16.292
141 2HG2 THR 23 2HG2 THR 23 4.564 -2.834 17.508
142 3HG2 THR 23 3HG2 THR 23 4.805 -4.193 16.384
143 H GLN 24 H GLN 24 3.338 -4.723 13.454
144 HA GLN 24 HA GLN 24 5.330 -6.468 13.945
145 2HB GLN 24 2HB GLN 24 4.192 -7.952 12.242
146 2HG GLN 24 2HG GLN 24 1.907 -7.824 13.327
147 1HE2 GLN 24 1HE2 GLN 24 2.187 -7.163 16.153
148 2HE2 GLN 24 2HE2 GLN 24 3.288 -8.305 16.847
149 H SER 25 H SER 25 4.666 -4.746 10.820
150 HA SER 25 HA SER 25 6.596 -5.900 9.317
151 2HB SER 25 2HB SER 25 6.593 -3.749 8.007
152 HG SER 25 HG SER 25 3.904 -3.792 8.498
153 H ILE 26 H ILE 26 8.823 -5.361 8.798
154 HA ILE 26 HA ILE 26 10.334 -4.600 11.058
155 HB ILE 26 HB ILE 26 10.983 -6.244 9.298
156 2HG1 ILE 26 2HG1 ILE 26 12.525 -4.745 10.929
157 1HG2 ILE 26 1HG2 ILE 26 11.496 -3.747 7.659
158 2HG2 ILE 26 2HG2 ILE 26 12.059 -5.385 7.248
159 3HG2 ILE 26 3HG2 ILE 26 10.315 -5.033 7.311
160 1HD1 ILE 26 1HD1 ILE 26 12.750 -7.163 9.473
161 2HD1 ILE 26 2HD1 ILE 26 14.250 -6.267 9.135
162 3HD1 ILE 26 3HD1 ILE 26 13.786 -6.622 10.816
163 H ILE 27 H ILE 27 9.433 -2.974 7.964
164 HA ILE 27 HA ILE 27 10.973 -0.691 8.363
165 HB ILE 27 HB ILE 27 8.486 -1.294 6.790
166 2HG1 ILE 27 2HG1 ILE 27 10.827 -2.198 6.213
167 1HG2 ILE 27 1HG2 ILE 27 8.563 0.871 5.763
168 2HG2 ILE 27 2HG2 ILE 27 8.434 1.090 7.525
169 3HG2 ILE 27 3HG2 ILE 27 9.999 1.328 6.710
170 1HD1 ILE 27 1HD1 ILE 27 10.449 -1.838 3.810
171 2HD1 ILE 27 2HD1 ILE 27 8.891 -2.120 4.623
172 3HD1 ILE 27 3HD1 ILE 27 9.369 -0.468 4.162
173 H GLY 28 H GLY 28 7.824 -1.722 9.669
174 1HA GLY 28 1HA GLY 28 6.364 -0.685 11.054
175 2HA GLY 28 2HA GLY 28 7.821 -0.267 11.934
176 H GLY 29 H GLY 29 5.364 0.860 9.622
177 1HA GLY 29 1HA GLY 29 6.534 3.425 9.157
178 2HA GLY 29 2HA GLY 29 4.905 2.904 8.773
179 H MET 30 H MET 30 3.657 2.297 11.089
180 HA MET 30 HA MET 30 3.111 4.756 12.178
181 2HB MET 30 2HB MET 30 2.194 3.071 14.113
182 2HG MET 30 2HG MET 30 0.289 2.456 12.469
183 1HE MET 30 1HE MET 30 0.322 3.350 14.808
184 2HE MET 30 2HE MET 30 0.163 5.060 15.278
185 3HE MET 30 3HE MET 30 -1.229 4.194 14.586
186 H ILE 31 H ILE 31 5.066 2.016 13.543
187 HA ILE 31 HA ILE 31 5.684 3.204 15.955
188 HB ILE 31 HB ILE 31 6.050 0.877 15.518
189 2HG1 ILE 31 2HG1 ILE 31 7.398 1.885 17.270
190 1HG2 ILE 31 1HG2 ILE 31 7.347 -0.033 13.876
191 2HG2 ILE 31 2HG2 ILE 31 6.847 1.469 13.061
192 3HG2 ILE 31 3HG2 ILE 31 8.456 1.359 13.817
193 1HD1 ILE 31 1HD1 ILE 31 7.853 -0.461 16.952
194 2HD1 ILE 31 2HD1 ILE 31 8.835 -0.139 15.503
195 3HD1 ILE 31 3HD1 ILE 31 9.436 0.339 17.109
196 H SER 32 H SER 32 7.563 3.260 12.847
197 HA SER 32 HA SER 32 9.666 4.696 13.590
198 2HB SER 32 2HB SER 32 8.015 5.074 11.053
199 HG SER 32 HG SER 32 10.623 5.375 10.564
200 H GLY 33 H GLY 33 6.316 5.869 13.161
201 1HA GLY 33 1HA GLY 33 6.968 8.651 13.312
202 2HA GLY 33 2HA GLY 33 5.382 7.913 13.423
203 H TRP 34 H TRP 34 5.839 6.104 15.621
204 HA TRP 34 HA TRP 34 5.342 7.807 17.766
205 2HB TRP 34 2HB TRP 34 6.309 4.951 17.930
206 HD1 TRP 34 HD TRP 34 3.883 7.529 19.614
207 HE1 TRP 34 1HE TRP 34 3.662 7.030 22.195
208 HE3 TRP 34 3HE TRP 34 6.854 3.403 19.605
209 HZ2 TRP 34 2HZ TRP 34 4.731 5.010 23.906
210 HZ3 TRP 34 3HZ TRP 34 7.214 2.226 21.772
211 HH2 TRP 34 HH TRP 34 6.208 2.967 23.873
212 H ALA 35 H ALA 35 8.278 5.824 16.923
213 HA ALA 35 HA ALA 35 9.853 6.820 19.004
214 1HB ALA 35 1HB ALA 35 10.799 5.820 16.294
215 2HB ALA 35 2HB ALA 35 11.659 5.737 17.851
216 3HB ALA 35 3HB ALA 35 10.207 4.743 17.582
217 H SER 36 H SER 36 9.197 7.962 15.664
218 HA SER 36 HA SER 36 11.222 9.878 15.658
219 2HB SER 36 2HB SER 36 8.614 9.649 14.100
220 HG SER 36 HG SER 36 9.556 11.882 14.180
221 H GLY 37 H GLY 37 7.852 9.815 16.843
222 1HA GLY 37 1HA GLY 37 7.482 12.594 17.150
223 2HA GLY 37 2HA GLY 37 6.609 11.314 17.968
224 H LEU 38 H LEU 38 8.356 10.013 19.568
225 HA LEU 38 HA LEU 38 8.736 11.769 21.682
226 2HB LEU 38 2HB LEU 38 8.414 9.464 22.086
227 HG LEU 38 HG LEU 38 9.786 8.739 19.940
228 1HD1 LEU 38 1HD1 LEU 38 11.999 8.165 20.209
229 2HD1 LEU 38 2HD1 LEU 38 11.908 9.670 21.155
230 3HD1 LEU 38 3HD1 LEU 38 11.883 8.096 21.984
231 1HD2 LEU 38 1HD2 LEU 38 8.736 6.920 20.698
232 2HD2 LEU 38 2HD2 LEU 38 10.268 6.531 21.517
233 3HD2 LEU 38 3HD2 LEU 38 8.975 7.377 22.401
234 H ALA 39 H ALA 39 10.930 10.667 19.065
235 HA ALA 39 HA ALA 39 13.265 11.767 20.182
236 1HB ALA 39 1HB ALA 39 13.877 10.344 18.524
237 2HB ALA 39 2HB ALA 39 12.353 10.574 17.633
238 3HB ALA 39 3HB ALA 39 13.672 11.757 17.460
239 H GLY 40 H GLY 40 10.564 13.078 18.258
240 1HA GLY 40 1HA GLY 40 11.815 15.468 17.430
241 2HA GLY 40 2HA GLY 40 10.095 15.158 17.544
242 H MET 41 H MET 41 12.997 15.898 19.584
243 HA MET 41 HA MET 41 11.783 18.040 20.819
244 2HB MET 41 2HB MET 41 10.443 16.047 21.830
245 2HG MET 41 2HG MET 41 12.950 14.943 22.225
246 1HE MET 41 1HE MET 41 11.968 14.827 26.380
247 2HE MET 41 2HE MET 41 11.815 13.784 24.946
248 3HE MET 41 3HE MET 41 13.387 13.948 25.763
Start of MODEL 15
1 1H ALA 1 1H ALA 1 -20.133 -3.093 13.041
2 HA ALA 1 HA ALA 1 -21.037 -0.992 13.039
3 1HB ALA 1 1HB ALA 1 -19.632 0.656 14.736
4 2HB ALA 1 2HB ALA 1 -21.132 -0.201 15.165
5 3HB ALA 1 3HB ALA 1 -19.553 -0.899 15.597
6 H ARG 2 H ARG 2 -20.110 -1.062 10.919
7 HA ARG 2 HA ARG 2 -18.823 -0.424 9.305
8 2HB ARG 2 2HB ARG 2 -17.274 1.664 10.742
9 2HG ARG 2 2HG ARG 2 -18.216 1.273 8.170
10 2HD ARG 2 2HD ARG 2 -19.749 3.509 8.134
11 HE ARG 2 HE ARG 2 -20.442 0.650 8.206
12 1HH1 ARG 2 2HH2 ARG 2 -21.639 3.928 7.753
13 2HH1 ARG 2 1HH2 ARG 2 -23.039 3.431 6.863
14 1HH2 ARG 2 2HH1 ARG 2 -22.290 -0.006 7.033
15 2HH2 ARG 2 1HH1 ARG 2 -23.412 1.177 6.451
16 H SER 3 H SER 3 -16.476 -0.269 8.491
17 HA SER 3 HA SER 3 -14.342 -0.716 10.170
18 2HB SER 3 2HB SER 3 -15.228 -3.299 8.823
19 HG SER 3 HG SER 3 -12.895 -2.655 9.719
20 H TYR 4 H TYR 4 -15.835 -1.695 7.015
21 HA TYR 4 HA TYR 4 -14.932 -1.823 4.959
22 2HB TYR 4 2HB TYR 4 -13.915 0.581 4.448
23 HD1 TYR 4 1HD TYR 4 -16.471 1.316 6.950
24 HD2 TYR 4 2HD TYR 4 -15.801 0.200 2.875
25 HE1 TYR 4 1HE TYR 4 -18.859 1.967 6.372
26 HE2 TYR 4 2HE TYR 4 -18.191 0.854 2.310
27 HH TYR 4 HH TYR 4 -20.300 1.091 3.421
28 H GLY 5 H GLY 5 -13.322 -3.516 5.531
29 1HA GLY 5 1HA GLY 5 -11.211 -4.312 5.805
30 2HA GLY 5 2HA GLY 5 -10.903 -3.265 4.435
31 H ASN 6 H ASN 6 -11.729 -2.372 7.849
32 HA ASN 6 HA ASN 6 -10.665 -1.235 9.359
33 2HB ASN 6 2HB ASN 6 -8.150 -1.267 9.439
34 1HD2 ASN 6 1HD2 ASN 6 -8.177 -2.623 11.069
35 2HD2 ASN 6 2HD2 ASN 6 -8.548 -4.315 11.014
36 H GLY 7 H GLY 7 -9.175 0.851 9.641
37 1HA GLY 7 1HA GLY 7 -8.717 2.973 9.063
38 2HA GLY 7 2HA GLY 7 -8.365 2.384 7.451
39 H VAL 8 H VAL 8 -11.100 3.305 9.635
40 HA VAL 8 HA VAL 8 -12.285 4.897 7.638
41 HB VAL 8 HB VAL 8 -13.176 2.079 7.908
42 1HG1 VAL 8 1HG1 VAL 8 -15.195 2.774 8.720
43 2HG1 VAL 8 2HG1 VAL 8 -15.030 4.415 8.050
44 3HG1 VAL 8 3HG1 VAL 8 -15.488 3.061 6.988
45 1HG2 VAL 8 1HG2 VAL 8 -14.078 3.192 5.510
46 2HG2 VAL 8 2HG2 VAL 8 -12.524 4.003 5.820
47 3HG2 VAL 8 3HG2 VAL 8 -12.602 2.225 5.752
48 H TYR 9 H TYR 9 -12.669 2.925 10.628
49 HA TYR 9 HA TYR 9 -14.538 4.867 11.698
50 2HB TYR 9 2HB TYR 9 -14.876 2.450 12.105
51 HD1 TYR 9 1HD TYR 9 -12.131 2.770 14.549
52 HD2 TYR 9 2HD TYR 9 -13.431 0.893 10.931
53 HE1 TYR 9 1HE TYR 9 -10.215 1.107 14.715
54 HE2 TYR 9 2HE TYR 9 -11.510 -0.762 11.109
55 HH TYR 9 HH TYR 9 -9.463 -1.043 12.095
56 H CYS 10 H CYS 10 -11.936 5.952 11.079
57 HA CYS 10 HA CYS 10 -10.386 5.967 13.461
58 2HB CYS 10 2HB CYS 10 -10.064 8.127 11.449
59 H ASN 11 H ASN 11 -11.911 6.614 15.119
60 HA ASN 11 HA ASN 11 -13.640 8.697 14.948
61 2HB ASN 11 2HB ASN 11 -12.387 8.588 17.603
62 1HD2 ASN 11 1HD2 ASN 11 -14.024 9.650 18.458
63 2HD2 ASN 11 2HD2 ASN 11 -15.697 9.203 18.389
64 H ASN 12 H ASN 12 -13.133 10.624 16.904
65 HA ASN 12 HA ASN 12 -11.053 12.130 15.626
66 2HB ASN 12 2HB ASN 12 -11.937 14.016 17.026
67 1HD2 ASN 12 1HD2 ASN 12 -14.735 11.945 16.866
68 2HD2 ASN 12 2HD2 ASN 12 -15.433 12.575 15.410
69 H LYS 13 H LYS 13 -12.113 11.618 19.086
70 HA LYS 13 HA LYS 13 -9.594 12.277 20.143
71 2HB LYS 13 2HB LYS 13 -11.714 12.518 21.367
72 2HG LYS 13 2HG LYS 13 -11.797 9.666 22.174
73 2HD LYS 13 2HD LYS 13 -14.303 10.568 21.209
74 2HE LYS 13 2HE LYS 13 -13.204 10.833 24.046
75 1HZ LYS 13 1HZ LYS 13 -15.674 9.984 24.213
76 2HZ LYS 13 2HZ LYS 13 -15.300 11.573 24.197
77 3HZ LYS 13 3HZ LYS 13 -15.816 10.842 22.831
78 H LYS 14 H LYS 14 -11.122 9.230 19.069
79 HA LYS 14 HA LYS 14 -8.857 7.717 20.073
80 2HB LYS 14 2HB LYS 14 -10.183 5.772 19.188
81 2HG LYS 14 2HG LYS 14 -11.363 7.729 21.196
82 2HD LYS 14 2HD LYS 14 -12.643 5.542 21.930
83 2HE LYS 14 2HE LYS 14 -14.538 6.127 20.279
84 1HZ LYS 14 1HZ LYS 14 -13.742 8.655 21.266
85 2HZ LYS 14 2HZ LYS 14 -15.014 7.728 21.702
86 3HZ LYS 14 3HZ LYS 14 -13.554 7.491 22.395
87 H CYS 15 H CYS 15 -10.439 6.886 17.017
88 HA CYS 15 HA CYS 15 -9.749 7.201 14.896
89 2HB CYS 15 2HB CYS 15 -6.969 8.014 15.627
90 H TRP 16 H TRP 16 -7.559 5.926 17.448
91 HA TRP 16 HA TRP 16 -6.524 3.981 17.668
92 2HB TRP 16 2HB TRP 16 -7.227 2.050 16.228
93 HD1 TRP 16 HD TRP 16 -7.939 1.409 18.796
94 HE1 TRP 16 1HE TRP 16 -10.202 1.484 20.150
95 HE3 TRP 16 3HE TRP 16 -10.365 4.521 15.589
96 HZ2 TRP 16 2HZ TRP 16 -12.697 2.807 19.738
97 HZ3 TRP 16 3HZ TRP 16 -12.713 5.155 16.139
98 HH2 TRP 16 HH TRP 16 -13.877 4.352 18.131
99 H VAL 17 H VAL 17 -4.523 5.086 17.139
100 HA VAL 17 HA VAL 17 -3.632 5.554 14.561
101 HB VAL 17 HB VAL 17 -2.658 6.558 16.527
102 1HG1 VAL 17 1HG1 VAL 17 -2.896 4.246 17.812
103 2HG1 VAL 17 2HG1 VAL 17 -1.203 4.058 17.297
104 3HG1 VAL 17 3HG1 VAL 17 -1.681 5.456 18.288
105 1HG2 VAL 17 1HG2 VAL 17 -1.150 6.647 14.752
106 2HG2 VAL 17 2HG2 VAL 17 -0.177 5.931 16.060
107 3HG2 VAL 17 3HG2 VAL 17 -0.851 4.893 14.781
108 H ASN 18 H ASN 18 -3.338 2.648 16.679
109 HA ASN 18 HA ASN 18 -2.879 1.121 14.284
110 2HB ASN 18 2HB ASN 18 -0.582 1.390 14.876
111 1HD2 ASN 18 1HD2 ASN 18 1.137 1.121 16.533
112 2HD2 ASN 18 2HD2 ASN 18 0.868 1.767 18.118
113 H ARG 19 H ARG 19 -4.746 -0.159 14.561
114 HA ARG 19 HA ARG 19 -5.892 -0.758 16.951
115 2HB ARG 19 2HB ARG 19 -6.676 -2.907 15.459
116 2HG ARG 19 2HG ARG 19 -8.046 -0.876 16.175
117 2HD ARG 19 2HD ARG 19 -6.492 0.756 14.893
118 HE ARG 19 HE ARG 19 -7.249 -0.754 12.666
119 1HH1 ARG 19 2HH2 ARG 19 -7.476 2.631 13.597
120 2HH1 ARG 19 1HH2 ARG 19 -7.405 3.217 11.968
121 1HH2 ARG 19 2HH1 ARG 19 -7.154 0.017 10.517
122 2HH2 ARG 19 1HH1 ARG 19 -7.220 1.719 10.205
123 H GLY 20 H GLY 20 -3.761 -2.892 14.902
124 1HA GLY 20 1HA GLY 20 -2.326 -3.924 17.102
125 2HA GLY 20 2HA GLY 20 -3.607 -5.038 16.675
126 H GLU 21 H GLU 21 -3.817 -4.964 13.947
127 HA GLU 21 HA GLU 21 -1.795 -6.556 13.112
128 2HB GLU 21 2HB GLU 21 -3.047 -4.818 11.024
129 2HG GLU 21 2HG GLU 21 -2.920 -7.830 11.522
130 HE2 GLU 21 HE2 GLU 21 -5.227 -8.387 9.413
131 H ALA 22 H ALA 22 -2.154 -2.982 12.623
132 HA ALA 22 HA ALA 22 0.115 -2.608 11.082
133 1HB ALA 22 1HB ALA 22 -1.776 -0.985 11.595
134 2HB ALA 22 2HB ALA 22 -0.991 -0.688 13.165
135 3HB ALA 22 3HB ALA 22 -0.138 -0.288 11.654
136 H THR 23 H THR 23 -0.320 -2.628 14.676
137 HA THR 23 HA THR 23 2.282 -1.922 15.343
138 HB THR 23 HB THR 23 -0.076 -3.281 16.611
139 HG1 THR 23 1HG THR 23 0.562 -1.504 18.124
140 1HG2 THR 23 1HG2 THR 23 2.689 -3.198 17.927
141 2HG2 THR 23 2HG2 THR 23 1.170 -3.738 18.683
142 3HG2 THR 23 3HG2 THR 23 1.899 -4.693 17.370
143 H GLN 24 H GLN 24 0.929 -5.292 15.322
144 HA GLN 24 HA GLN 24 3.367 -6.492 15.635
145 2HB GLN 24 2HB GLN 24 1.294 -7.716 15.958
146 2HG GLN 24 2HG GLN 24 0.870 -7.081 13.017
147 1HE2 GLN 24 1HE2 GLN 24 -1.892 -8.051 14.420
148 2HE2 GLN 24 2HE2 GLN 24 -1.980 -9.709 13.926
149 H SER 25 H SER 25 1.776 -5.197 12.725
150 HA SER 25 HA SER 25 3.123 -6.512 10.778
151 2HB SER 25 2HB SER 25 2.975 -3.774 9.968
152 HG SER 25 HG SER 25 1.439 -6.154 9.603
153 H ILE 26 H ILE 26 5.009 -5.809 9.407
154 HA ILE 26 HA ILE 26 7.246 -5.274 11.031
155 HB ILE 26 HB ILE 26 6.879 -5.382 8.038
156 2HG1 ILE 26 2HG1 ILE 26 6.471 -7.440 9.575
157 1HG2 ILE 26 1HG2 ILE 26 8.828 -4.012 8.581
158 2HG2 ILE 26 2HG2 ILE 26 9.454 -5.303 9.634
159 3HG2 ILE 26 3HG2 ILE 26 9.312 -5.575 7.881
160 1HD1 ILE 26 1HD1 ILE 26 6.828 -7.442 7.056
161 2HD1 ILE 26 2HD1 ILE 26 8.565 -7.667 7.369
162 3HD1 ILE 26 3HD1 ILE 26 7.400 -8.911 7.884
163 H ILE 27 H ILE 27 5.368 -3.308 8.646
164 HA ILE 27 HA ILE 27 6.964 -1.064 8.687
165 HB ILE 27 HB ILE 27 5.188 0.050 7.693
166 2HG1 ILE 27 2HG1 ILE 27 3.391 -1.748 9.318
167 1HG2 ILE 27 1HG2 ILE 27 4.048 -2.465 6.799
168 2HG2 ILE 27 2HG2 ILE 27 5.051 -1.286 5.921
169 3HG2 ILE 27 3HG2 ILE 27 5.823 -2.552 6.906
170 1HD1 ILE 27 1HD1 ILE 27 4.338 0.943 9.523
171 2HD1 ILE 27 2HD1 ILE 27 2.621 1.029 9.058
172 3HD1 ILE 27 3HD1 ILE 27 3.103 0.142 10.524
173 H GLY 28 H GLY 28 4.669 -2.319 11.092
174 1HA GLY 28 1HA GLY 28 4.031 -0.168 12.607
175 2HA GLY 28 2HA GLY 28 4.419 -1.746 13.263
176 H GLY 29 H GLY 29 7.239 -1.769 12.336
177 1HA GLY 29 1HA GLY 29 8.395 -0.391 14.556
178 2HA GLY 29 2HA GLY 29 9.223 -1.320 13.322
179 H MET 30 H MET 30 8.383 0.042 10.957
180 HA MET 30 HA MET 30 10.201 2.148 10.983
181 2HB MET 30 2HB MET 30 8.765 2.592 8.701
182 2HG MET 30 2HG MET 30 10.146 -0.036 8.568
183 1HE MET 30 1HE MET 30 11.812 0.376 5.515
184 2HE MET 30 2HE MET 30 12.907 1.256 6.609
185 3HE MET 30 3HE MET 30 12.021 -0.172 7.196
186 H ILE 31 H ILE 31 6.573 2.094 10.841
187 HA ILE 31 HA ILE 31 6.192 4.822 10.682
188 HB ILE 31 HB ILE 31 4.443 3.237 10.274
189 2HG1 ILE 31 2HG1 ILE 31 3.761 5.475 10.933
190 1HG2 ILE 31 1HG2 ILE 31 3.647 1.657 11.717
191 2HG2 ILE 31 2HG2 ILE 31 5.335 1.745 12.275
192 3HG2 ILE 31 3HG2 ILE 31 4.056 2.604 13.167
193 1HD1 ILE 31 1HD1 ILE 31 1.917 3.951 10.536
194 2HD1 ILE 31 2HD1 ILE 31 2.106 3.220 12.148
195 3HD1 ILE 31 3HD1 ILE 31 1.521 4.894 11.993
196 H SER 32 H SER 32 6.318 2.715 13.639
197 HA SER 32 HA SER 32 5.897 4.538 15.525
198 2HB SER 32 2HB SER 32 8.211 2.586 15.781
199 HG SER 32 HG SER 32 6.169 2.693 17.702
200 H GLY 33 H GLY 33 8.849 4.141 13.539
201 1HA GLY 33 1HA GLY 33 10.485 5.914 15.053
202 2HA GLY 33 2HA GLY 33 10.772 5.316 13.432
203 H TRP 34 H TRP 34 8.330 6.230 12.168
204 HA TRP 34 HA TRP 34 9.095 8.800 11.443
205 2HB TRP 34 2HB TRP 34 6.339 7.602 11.159
206 HD1 TRP 34 HD TRP 34 8.942 9.923 9.373
207 HE1 TRP 34 1HE TRP 34 7.704 11.728 7.899
208 HE3 TRP 34 3HE TRP 34 4.241 8.222 10.304
209 HZ2 TRP 34 2HZ TRP 34 4.959 12.230 7.301
210 HZ3 TRP 34 3HZ TRP 34 2.337 9.427 9.236
211 HH2 TRP 34 HH TRP 34 2.639 11.366 7.780
212 H ALA 35 H ALA 35 6.306 7.667 13.495
213 HA ALA 35 HA ALA 35 5.486 10.213 14.259
214 1HB ALA 35 1HB ALA 35 4.149 9.054 15.882
215 2HB ALA 35 2HB ALA 35 4.253 7.996 14.454
216 3HB ALA 35 3HB ALA 35 5.251 7.658 15.888
217 H SER 36 H SER 36 7.974 7.982 15.567
218 HA SER 36 HA SER 36 8.386 9.293 17.952
219 2HB SER 36 2HB SER 36 10.904 8.305 17.130
220 HG SER 36 HG SER 36 10.139 6.364 18.354
221 H GLY 37 H GLY 37 9.569 9.924 14.632
222 1HA GLY 37 1HA GLY 37 11.554 11.832 15.368
223 2HA GLY 37 2HA GLY 37 10.882 11.548 13.775
224 H LEU 38 H LEU 38 8.153 12.054 14.104
225 HA LEU 38 HA LEU 38 8.078 14.828 13.979
226 2HB LEU 38 2HB LEU 38 5.688 14.573 13.847
227 HG LEU 38 HG LEU 38 7.330 12.541 12.395
228 1HD1 LEU 38 1HD1 LEU 38 4.947 12.127 11.194
229 2HD1 LEU 38 2HD1 LEU 38 5.624 11.067 12.454
230 3HD1 LEU 38 3HD1 LEU 38 4.418 12.304 12.884
231 1HD2 LEU 38 1HD2 LEU 38 7.420 14.321 11.054
232 2HD2 LEU 38 2HD2 LEU 38 5.750 13.912 10.598
233 3HD2 LEU 38 3HD2 LEU 38 6.054 15.120 11.869
234 H ALA 39 H ALA 39 7.069 12.562 16.626
235 HA ALA 39 HA ALA 39 6.268 14.591 18.380
236 1HB ALA 39 1HB ALA 39 6.493 11.731 18.315
237 2HB ALA 39 2HB ALA 39 7.247 12.316 19.818
238 3HB ALA 39 3HB ALA 39 5.561 12.745 19.442
239 H GLY 40 H GLY 40 9.422 13.329 17.420
240 1HA GLY 40 1HA GLY 40 10.853 14.248 19.717
241 2HA GLY 40 2HA GLY 40 11.514 13.723 18.182
242 H MET 41 H MET 41 9.549 16.470 19.538
243 HA MET 41 HA MET 41 10.141 18.252 17.542
244 2HB MET 41 2HB MET 41 9.899 19.828 19.833
245 2HG MET 41 2HG MET 41 7.634 18.341 18.413
246 1HE MET 41 1HE MET 41 6.648 22.488 19.215
247 2HE MET 41 2HE MET 41 7.374 21.586 17.864
248 3HE MET 41 3HE MET 41 5.647 21.379 18.248
Start of MODEL 16
1 1H ALA 1 1H ALA 1 -20.180 8.131 14.089
2 HA ALA 1 HA ALA 1 -18.879 7.166 15.616
3 1HB ALA 1 1HB ALA 1 -19.377 9.324 16.946
4 2HB ALA 1 2HB ALA 1 -20.563 8.346 17.843
5 3HB ALA 1 3HB ALA 1 -18.840 7.899 17.868
6 H ARG 2 H ARG 2 -19.073 4.989 15.672
7 HA ARG 2 HA ARG 2 -21.594 3.974 16.722
8 2HB ARG 2 2HB ARG 2 -20.781 1.868 15.257
9 2HG ARG 2 2HG ARG 2 -22.079 4.418 14.204
10 2HD ARG 2 2HD ARG 2 -22.102 1.657 12.899
11 HE ARG 2 HE ARG 2 -23.895 3.712 12.560
12 1HH1 ARG 2 2HH2 ARG 2 -21.384 2.383 10.483
13 2HH1 ARG 2 1HH2 ARG 2 -22.208 2.787 9.013
14 1HH2 ARG 2 2HH1 ARG 2 -24.982 4.245 10.622
15 2HH2 ARG 2 1HH1 ARG 2 -24.269 3.854 9.094
16 H SER 3 H SER 3 -21.379 1.719 17.747
17 HA SER 3 HA SER 3 -18.696 1.346 18.813
18 2HB SER 3 2HB SER 3 -20.088 2.483 20.522
19 HG SER 3 HG SER 3 -22.035 0.893 19.618
20 H TYR 4 H TYR 4 -20.962 0.132 16.822
21 HA TYR 4 HA TYR 4 -21.852 -2.269 17.514
22 2HB TYR 4 2HB TYR 4 -20.694 -2.789 15.043
23 HD1 TYR 4 1HD TYR 4 -22.311 0.432 14.715
24 HD2 TYR 4 2HD TYR 4 -23.027 -3.759 15.192
25 HE1 TYR 4 1HE TYR 4 -24.705 0.743 13.918
26 HE2 TYR 4 2HE TYR 4 -25.418 -3.434 14.394
27 HH TYR 4 HH TYR 4 -26.919 -0.557 14.326
28 H GLY 5 H GLY 5 -18.520 -1.892 16.093
29 1HA GLY 5 1HA GLY 5 -17.595 -4.005 17.916
30 2HA GLY 5 2HA GLY 5 -17.403 -4.225 16.188
31 H ASN 6 H ASN 6 -15.119 -4.207 17.735
32 HA ASN 6 HA ASN 6 -14.018 -1.732 18.208
33 2HB ASN 6 2HB ASN 6 -12.653 -4.357 17.407
34 1HD2 ASN 6 1HD2 ASN 6 -11.097 -3.133 16.232
35 2HD2 ASN 6 2HD2 ASN 6 -9.843 -2.255 17.043
36 H GLY 7 H GLY 7 -14.592 -0.419 16.282
37 1HA GLY 7 1HA GLY 7 -13.391 0.646 14.528
38 2HA GLY 7 2HA GLY 7 -12.773 -0.911 14.013
39 H VAL 8 H VAL 8 -15.462 1.356 13.869
40 HA VAL 8 HA VAL 8 -16.596 -0.242 11.715
41 HB VAL 8 HB VAL 8 -18.063 -1.010 13.270
42 1HG1 VAL 8 1HG1 VAL 8 -18.898 0.908 15.060
43 2HG1 VAL 8 2HG1 VAL 8 -17.631 -0.305 15.363
44 3HG1 VAL 8 3HG1 VAL 8 -17.186 1.331 14.822
45 1HG2 VAL 8 1HG2 VAL 8 -19.486 1.622 12.966
46 2HG2 VAL 8 2HG2 VAL 8 -19.157 0.620 11.532
47 3HG2 VAL 8 3HG2 VAL 8 -20.129 -0.035 12.872
48 H TYR 9 H TYR 9 -17.829 2.632 13.522
49 HA TYR 9 HA TYR 9 -18.605 4.153 11.491
50 2HB TYR 9 2HB TYR 9 -18.802 4.990 13.741
51 HD1 TYR 9 1HD TYR 9 -18.144 3.283 15.382
52 HD2 TYR 9 2HD TYR 9 -15.270 5.983 13.723
53 HE1 TYR 9 1HE TYR 9 -16.496 2.668 17.218
54 HE2 TYR 9 2HE TYR 9 -13.632 5.359 15.563
55 HH TYR 9 HH TYR 9 -14.454 2.857 17.936
56 H CYS 10 H CYS 10 -15.186 3.684 12.515
57 HA CYS 10 HA CYS 10 -14.069 5.675 10.965
58 2HB CYS 10 2HB CYS 10 -12.169 3.684 10.955
59 H ASN 11 H ASN 11 -12.240 4.497 9.186
60 HA ASN 11 HA ASN 11 -14.018 3.865 7.046
61 2HB ASN 11 2HB ASN 11 -11.357 3.574 6.127
62 1HD2 ASN 11 1HD2 ASN 11 -13.387 3.858 4.699
63 2HD2 ASN 11 2HD2 ASN 11 -13.662 5.449 4.070
64 H ASN 12 H ASN 12 -10.731 2.464 7.600
65 HA ASN 12 HA ASN 12 -11.348 0.032 8.549
66 2HB ASN 12 2HB ASN 12 -12.746 -0.675 6.779
67 1HD2 ASN 12 1HD2 ASN 12 -9.960 -0.183 4.706
68 2HD2 ASN 12 2HD2 ASN 12 -10.702 0.872 3.548
69 H LYS 13 H LYS 13 -9.650 1.782 5.881
70 HA LYS 13 HA LYS 13 -7.223 0.258 6.442
71 2HB LYS 13 2HB LYS 13 -7.822 0.295 4.124
72 2HG LYS 13 2HG LYS 13 -8.204 3.249 4.640
73 2HD LYS 13 2HD LYS 13 -6.867 2.056 2.288
74 2HE LYS 13 2HE LYS 13 -9.543 3.403 2.018
75 1HZ LYS 13 1HZ LYS 13 -8.854 4.315 -0.070
76 2HZ LYS 13 2HZ LYS 13 -7.961 4.986 1.122
77 3HZ LYS 13 3HZ LYS 13 -7.309 3.839 0.158
78 H LYS 14 H LYS 14 -8.648 3.549 6.489
79 HA LYS 14 HA LYS 14 -6.226 4.425 7.905
80 2HB LYS 14 2HB LYS 14 -6.546 6.620 7.017
81 2HG LYS 14 2HG LYS 14 -6.487 4.278 5.190
82 2HD LYS 14 2HD LYS 14 -6.648 5.674 3.139
83 2HE LYS 14 2HE LYS 14 -8.912 5.089 4.931
84 1HZ LYS 14 1HZ LYS 14 -9.063 7.328 3.055
85 2HZ LYS 14 2HZ LYS 14 -10.383 6.434 3.414
86 3HZ LYS 14 3HZ LYS 14 -9.607 7.254 4.594
87 H CYS 15 H CYS 15 -7.584 6.939 8.711
88 HA CYS 15 HA CYS 15 -9.071 7.719 10.174
89 2HB CYS 15 2HB CYS 15 -10.159 4.968 10.735
90 H TRP 16 H TRP 16 -6.379 6.088 10.481
91 HA TRP 16 HA TRP 16 -6.226 6.476 13.325
92 2HB TRP 16 2HB TRP 16 -5.625 4.276 13.954
93 HD1 TRP 16 HD TRP 16 -8.229 4.925 14.906
94 HE1 TRP 16 1HE TRP 16 -10.568 3.784 14.466
95 HE3 TRP 16 3HE TRP 16 -6.847 2.530 10.640
96 HZ2 TRP 16 2HZ TRP 16 -11.555 2.047 12.428
97 HZ3 TRP 16 3HZ TRP 16 -8.558 1.131 9.486
98 HH2 TRP 16 HH TRP 16 -10.843 0.870 10.314
99 H VAL 17 H VAL 17 -5.104 7.910 11.205
100 HA VAL 17 HA VAL 17 -3.207 8.429 10.135
101 HB VAL 17 HB VAL 17 -2.916 9.221 12.436
102 1HG1 VAL 17 1HG1 VAL 17 -1.207 7.853 13.840
103 2HG1 VAL 17 2HG1 VAL 17 -2.915 7.348 13.828
104 3HG1 VAL 17 3HG1 VAL 17 -1.723 6.481 12.830
105 1HG2 VAL 17 1HG2 VAL 17 -1.192 10.024 11.143
106 2HG2 VAL 17 2HG2 VAL 17 -0.270 9.109 12.360
107 3HG2 VAL 17 3HG2 VAL 17 -0.575 8.400 10.757
108 H ASN 18 H ASN 18 -3.929 5.952 9.248
109 HA ASN 18 HA ASN 18 -3.214 4.106 8.359
110 2HB ASN 18 2HB ASN 18 -0.337 4.490 8.277
111 1HD2 ASN 18 1HD2 ASN 18 0.111 3.439 6.512
112 2HD2 ASN 18 2HD2 ASN 18 -0.808 3.396 5.044
113 H ARG 19 H ARG 19 -3.611 2.684 10.187
114 HA ARG 19 HA ARG 19 -1.359 2.313 11.967
115 2HB ARG 19 2HB ARG 19 -3.597 2.671 13.001
116 2HG ARG 19 2HG ARG 19 -4.295 0.287 11.262
117 2HD ARG 19 2HD ARG 19 -4.899 -0.423 13.548
118 HE ARG 19 HE ARG 19 -5.445 2.335 13.995
119 1HH1 ARG 19 2HH2 ARG 19 -6.872 -0.801 14.708
120 2HH1 ARG 19 1HH2 ARG 19 -7.652 -0.259 16.156
121 1HH2 ARG 19 2HH1 ARG 19 -6.475 3.051 15.906
122 2HH2 ARG 19 1HH1 ARG 19 -7.424 1.946 16.842
123 H GLY 20 H GLY 20 -2.967 0.948 9.211
124 1HA GLY 20 1HA GLY 20 -2.475 -1.808 9.663
125 2HA GLY 20 2HA GLY 20 -2.827 -1.027 8.136
126 H GLU 21 H GLU 21 -0.927 0.375 7.205
127 HA GLU 21 HA GLU 21 1.142 -1.270 6.636
128 2HB GLU 21 2HB GLU 21 1.228 1.778 6.689
129 2HG GLU 21 2HG GLU 21 2.737 -0.308 5.046
130 HE2 GLU 21 HE2 GLU 21 4.683 2.157 4.273
131 H ALA 22 H ALA 22 0.652 0.760 9.481
132 HA ALA 22 HA ALA 22 3.352 0.909 10.286
133 1HB ALA 22 1HB ALA 22 2.158 1.338 12.564
134 2HB ALA 22 2HB ALA 22 1.897 2.492 11.235
135 3HB ALA 22 3HB ALA 22 0.658 1.271 11.610
136 H THR 23 H THR 23 0.599 -1.276 11.196
137 HA THR 23 HA THR 23 2.304 -2.907 12.819
138 HB THR 23 HB THR 23 -0.192 -2.461 13.160
139 HG1 THR 23 1HG THR 23 0.821 -5.171 12.651
140 1HG2 THR 23 1HG2 THR 23 -1.088 -2.741 10.900
141 2HG2 THR 23 2HG2 THR 23 -0.316 -4.336 10.743
142 3HG2 THR 23 3HG2 THR 23 -1.670 -4.110 11.876
143 H GLN 24 H GLN 24 1.043 -3.009 9.467
144 HA GLN 24 HA GLN 24 1.676 -5.605 8.912
145 2HB GLN 24 2HB GLN 24 1.933 -4.732 6.504
146 2HG GLN 24 2HG GLN 24 -0.538 -3.492 7.688
147 1HE2 GLN 24 1HE2 GLN 24 -2.411 -4.849 6.627
148 2HE2 GLN 24 2HE2 GLN 24 -2.265 -5.091 4.919
149 H SER 25 H SER 25 3.720 -2.659 8.268
150 HA SER 25 HA SER 25 5.952 -4.306 7.677
151 2HB SER 25 2HB SER 25 5.758 -2.201 6.513
152 HG SER 25 HG SER 25 4.559 -0.919 7.954
153 H ILE 26 H ILE 26 7.818 -4.677 8.973
154 HA ILE 26 HA ILE 26 7.361 -4.656 11.761
155 HB ILE 26 HB ILE 26 9.768 -5.281 10.057
156 2HG1 ILE 26 2HG1 ILE 26 7.462 -6.682 10.295
157 1HG2 ILE 26 1HG2 ILE 26 9.509 -5.918 12.997
158 2HG2 ILE 26 2HG2 ILE 26 10.937 -6.063 11.944
159 3HG2 ILE 26 3HG2 ILE 26 10.327 -4.454 12.399
160 1HD1 ILE 26 1HD1 ILE 26 10.320 -7.729 10.080
161 2HD1 ILE 26 2HD1 ILE 26 8.876 -8.708 9.728
162 3HD1 ILE 26 3HD1 ILE 26 9.240 -7.272 8.740
163 H ILE 27 H ILE 27 9.501 -2.739 9.556
164 HA ILE 27 HA ILE 27 10.765 -1.231 11.463
165 HB ILE 27 HB ILE 27 11.090 -1.385 8.928
166 2HG1 ILE 27 2HG1 ILE 27 12.035 0.332 10.840
167 1HG2 ILE 27 1HG2 ILE 27 8.799 -0.653 8.334
168 2HG2 ILE 27 2HG2 ILE 27 9.178 0.965 8.973
169 3HG2 ILE 27 3HG2 ILE 27 10.071 0.329 7.570
170 1HD1 ILE 27 1HD1 ILE 27 12.935 0.857 8.039
171 2HD1 ILE 27 2HD1 ILE 27 13.887 0.408 9.475
172 3HD1 ILE 27 3HD1 ILE 27 12.991 -0.840 8.574
173 H GLY 28 H GLY 28 7.450 -0.962 10.157
174 1HA GLY 28 1HA GLY 28 6.610 1.493 10.791
175 2HA GLY 28 2HA GLY 28 5.658 0.057 11.111
176 H GLY 29 H GLY 29 7.465 -1.099 13.139
177 1HA GLY 29 1HA GLY 29 6.462 0.292 15.422
178 2HA GLY 29 2HA GLY 29 7.507 -1.115 15.399
179 H MET 30 H MET 30 9.749 -0.217 13.960
180 HA MET 30 HA MET 30 11.089 1.177 15.953
181 2HB MET 30 2HB MET 30 12.741 1.448 13.793
182 2HG MET 30 2HG MET 30 13.190 -1.156 14.134
183 1HE MET 30 1HE MET 30 15.827 -0.969 16.810
184 2HE MET 30 2HE MET 30 14.257 -1.744 17.130
185 3HE MET 30 3HE MET 30 15.003 -1.879 15.520
186 H ILE 31 H ILE 31 9.923 2.204 12.672
187 HA ILE 31 HA ILE 31 10.907 4.780 12.740
188 HB ILE 31 HB ILE 31 10.072 3.757 10.742
189 2HG1 ILE 31 2HG1 ILE 31 10.066 6.187 10.812
190 1HG2 ILE 31 1HG2 ILE 31 7.978 2.922 10.390
191 2HG2 ILE 31 2HG2 ILE 31 8.123 2.630 12.139
192 3HG2 ILE 31 3HG2 ILE 31 7.210 4.037 11.544
193 1HD1 ILE 31 1HD1 ILE 31 9.191 5.198 8.756
194 2HD1 ILE 31 2HD1 ILE 31 7.587 4.983 9.500
195 3HD1 ILE 31 3HD1 ILE 31 8.203 6.621 9.167
196 H SER 32 H SER 32 7.640 3.568 13.768
197 HA SER 32 HA SER 32 6.534 5.868 14.538
198 2HB SER 32 2HB SER 32 6.381 3.400 16.307
199 HG SER 32 HG SER 32 4.783 4.624 17.063
200 H GLY 33 H GLY 33 9.097 4.018 16.227
201 1HA GLY 33 1HA GLY 33 9.004 5.525 18.648
202 2HA GLY 33 2HA GLY 33 10.266 4.430 18.116
203 H TRP 34 H TRP 34 10.828 5.723 15.543
204 HA TRP 34 HA TRP 34 12.753 7.548 16.363
205 2HB TRP 34 2HB TRP 34 11.513 7.363 13.616
206 HD1 TRP 34 HD TRP 34 14.904 8.000 15.475
207 HE1 TRP 34 1HE TRP 34 16.426 9.636 14.071
208 HE3 TRP 34 3HE TRP 34 11.713 8.438 11.541
209 HZ2 TRP 34 2HZ TRP 34 16.131 10.902 11.531
210 HZ3 TRP 34 3HZ TRP 34 12.405 9.894 9.640
211 HH2 TRP 34 HH TRP 34 14.530 11.102 9.593
212 H ALA 35 H ALA 35 9.503 8.045 14.807
213 HA ALA 35 HA ALA 35 9.628 10.848 14.930
214 1HB ALA 35 1HB ALA 35 7.323 10.746 14.262
215 2HB ALA 35 2HB ALA 35 8.153 9.388 13.464
216 3HB ALA 35 3HB ALA 35 7.146 9.095 14.903
217 H SER 36 H SER 36 8.506 8.300 17.189
218 HA SER 36 HA SER 36 7.137 9.958 18.913
219 2HB SER 36 2HB SER 36 8.727 7.467 19.663
220 HG SER 36 HG SER 36 6.635 7.281 21.014
221 H GLY 37 H GLY 37 10.619 9.182 18.573
222 1HA GLY 37 1HA GLY 37 11.436 10.361 21.035
223 2HA GLY 37 2HA GLY 37 12.448 9.912 19.677
224 H LEU 38 H LEU 38 11.490 11.437 17.560
225 HA LEU 38 HA LEU 38 12.677 13.894 18.027
226 2HB LEU 38 2HB LEU 38 11.823 14.508 15.846
227 HG LEU 38 HG LEU 38 12.848 11.707 16.146
228 1HD1 LEU 38 1HD1 LEU 38 11.533 11.192 14.338
229 2HD1 LEU 38 2HD1 LEU 38 11.557 12.854 13.700
230 3HD1 LEU 38 3HD1 LEU 38 12.989 11.811 13.524
231 1HD2 LEU 38 1HD2 LEU 38 14.303 13.339 14.309
232 2HD2 LEU 38 2HD2 LEU 38 13.971 14.289 15.777
233 3HD2 LEU 38 3HD2 LEU 38 14.802 12.719 15.900
234 H ALA 39 H ALA 39 9.167 12.994 17.875
235 HA ALA 39 HA ALA 39 8.275 15.602 18.455
236 1HB ALA 39 1HB ALA 39 7.186 13.089 17.750
237 2HB ALA 39 2HB ALA 39 6.450 13.513 19.315
238 3HB ALA 39 3HB ALA 39 6.315 14.630 17.936
239 H GLY 40 H GLY 40 9.587 12.972 20.390
240 1HA GLY 40 1HA GLY 40 8.429 13.752 22.879
241 2HA GLY 40 2HA GLY 40 9.780 12.665 22.620
242 H MET 41 H MET 41 8.975 16.202 22.324
243 HA MET 41 HA MET 41 11.690 16.917 22.666
244 2HB MET 41 2HB MET 41 9.276 18.742 23.079
245 2HG MET 41 2HG MET 41 10.920 20.157 21.517
246 1HE MET 41 1HE MET 41 13.425 19.491 23.600
247 2HE MET 41 2HE MET 41 13.413 20.838 24.763
248 3HE MET 41 3HE MET 41 12.793 19.240 25.245
Start of MODEL 17
1 1H ALA 1 1H ALA 1 -19.286 9.410 9.322
2 HA ALA 1 HA ALA 1 -19.872 11.399 11.154
3 1HB ALA 1 1HB ALA 1 -21.547 8.894 11.392
4 2HB ALA 1 2HB ALA 1 -21.070 9.803 12.847
5 3HB ALA 1 3HB ALA 1 -22.034 10.597 11.579
6 H ARG 2 H ARG 2 -17.804 11.504 11.883
7 HA ARG 2 HA ARG 2 -15.921 10.942 12.779
8 2HB ARG 2 2HB ARG 2 -17.011 8.261 13.707
9 2HG ARG 2 2HG ARG 2 -15.198 10.402 14.909
10 2HD ARG 2 2HD ARG 2 -15.308 7.910 16.404
11 HE ARG 2 HE ARG 2 -14.657 9.746 17.729
12 1HH1 ARG 2 2HH2 ARG 2 -17.792 10.380 16.262
13 2HH1 ARG 2 1HH2 ARG 2 -18.096 11.794 17.215
14 1HH2 ARG 2 2HH1 ARG 2 -15.056 11.611 18.986
15 2HH2 ARG 2 1HH1 ARG 2 -16.529 12.499 18.776
16 H SER 3 H SER 3 -14.029 10.158 11.840
17 HA SER 3 HA SER 3 -14.070 7.566 10.629
18 2HB SER 3 2HB SER 3 -13.458 8.277 8.398
19 HG SER 3 HG SER 3 -15.525 10.165 9.010
20 H TYR 4 H TYR 4 -12.356 10.711 11.134
21 HA TYR 4 HA TYR 4 -10.245 11.198 11.619
22 2HB TYR 4 2HB TYR 4 -9.184 9.191 13.082
23 HD1 TYR 4 1HD TYR 4 -12.749 9.540 13.967
24 HD2 TYR 4 2HD TYR 4 -8.809 11.116 14.512
25 HE1 TYR 4 1HE TYR 4 -13.564 10.913 15.946
26 HE2 TYR 4 2HE TYR 4 -9.637 12.483 16.489
27 HH TYR 4 HH TYR 4 -12.394 11.873 18.072
28 H GLY 5 H GLY 5 -7.831 10.373 11.523
29 1HA GLY 5 1HA GLY 5 -7.074 9.877 8.996
30 2HA GLY 5 2HA GLY 5 -6.156 9.346 10.391
31 H ASN 6 H ASN 6 -6.918 7.189 11.429
32 HA ASN 6 HA ASN 6 -8.364 5.462 9.713
33 2HB ASN 6 2HB ASN 6 -6.494 3.831 9.354
34 1HD2 ASN 6 1HD2 ASN 6 -7.616 4.612 7.433
35 2HD2 ASN 6 2HD2 ASN 6 -6.808 5.690 6.345
36 H GLY 7 H GLY 7 -9.091 3.629 10.952
37 1HA GLY 7 1HA GLY 7 -9.097 2.140 12.703
38 2HA GLY 7 2HA GLY 7 -7.784 3.007 13.474
39 H VAL 8 H VAL 8 -11.214 3.654 12.431
40 HA VAL 8 HA VAL 8 -11.845 4.440 15.136
41 HB VAL 8 HB VAL 8 -11.678 6.355 12.835
42 1HG1 VAL 8 1HG1 VAL 8 -13.744 7.115 13.264
43 2HG1 VAL 8 2HG1 VAL 8 -13.879 6.157 14.757
44 3HG1 VAL 8 3HG1 VAL 8 -13.071 7.741 14.788
45 1HG2 VAL 8 1HG2 VAL 8 -10.917 7.841 14.806
46 2HG2 VAL 8 2HG2 VAL 8 -10.807 6.322 15.727
47 3HG2 VAL 8 3HG2 VAL 8 -9.824 6.547 14.260
48 H TYR 9 H TYR 9 -13.433 5.328 12.026
49 HA TYR 9 HA TYR 9 -15.941 4.662 12.605
50 2HB TYR 9 2HB TYR 9 -15.324 5.561 10.429
51 HD1 TYR 9 1HD TYR 9 -14.560 2.175 9.260
52 HD2 TYR 9 2HD TYR 9 -12.898 5.985 10.270
53 HE1 TYR 9 1HE TYR 9 -12.401 1.556 8.069
54 HE2 TYR 9 2HE TYR 9 -10.744 5.354 9.074
55 HH TYR 9 HH TYR 9 -9.577 3.115 8.535
56 H CYS 10 H CYS 10 -13.413 2.318 11.491
57 HA CYS 10 HA CYS 10 -13.350 0.123 11.493
58 2HB CYS 10 2HB CYS 10 -15.228 -0.392 13.668
59 H ASN 11 H ASN 11 -14.935 -1.998 11.577
60 HA ASN 11 HA ASN 11 -16.881 -1.418 9.588
61 2HB ASN 11 2HB ASN 11 -16.455 -4.093 11.001
62 1HD2 ASN 11 1HD2 ASN 11 -17.152 -5.828 9.835
63 2HD2 ASN 11 2HD2 ASN 11 -18.158 -5.716 8.429
64 H ASN 12 H ASN 12 -16.854 -3.032 12.864
65 HA ASN 12 HA ASN 12 -19.257 -1.733 13.577
66 2HB ASN 12 2HB ASN 12 -20.428 -4.037 14.042
67 1HD2 ASN 12 1HD2 ASN 12 -19.479 -4.358 10.759
68 2HD2 ASN 12 2HD2 ASN 12 -20.799 -3.524 10.008
69 H LYS 13 H LYS 13 -17.902 -5.035 14.311
70 HA LYS 13 HA LYS 13 -17.580 -4.212 17.083
71 2HB LYS 13 2HB LYS 13 -18.822 -6.259 16.667
72 2HG LYS 13 2HG LYS 13 -17.029 -8.196 15.909
73 2HD LYS 13 2HD LYS 13 -19.098 -6.578 14.442
74 2HE LYS 13 2HE LYS 13 -16.935 -7.330 12.960
75 1HZ LYS 13 1HZ LYS 13 -18.069 -9.707 13.706
76 2HZ LYS 13 2HZ LYS 13 -18.525 -9.489 12.153
77 3HZ LYS 13 3HZ LYS 13 -16.941 -9.478 12.547
78 H LYS 14 H LYS 14 -15.748 -5.109 14.166
79 HA LYS 14 HA LYS 14 -13.341 -4.233 15.545
80 2HB LYS 14 2HB LYS 14 -13.257 -6.612 15.889
81 2HG LYS 14 2HG LYS 14 -14.829 -6.986 13.768
82 2HD LYS 14 2HD LYS 14 -12.420 -8.009 12.399
83 2HE LYS 14 2HE LYS 14 -13.589 -6.992 10.430
84 1HZ LYS 14 1HZ LYS 14 -14.804 -8.807 10.481
85 2HZ LYS 14 2HZ LYS 14 -14.572 -8.974 12.089
86 3HZ LYS 14 3HZ LYS 14 -15.861 -8.141 11.533
87 H CYS 15 H CYS 15 -11.468 -4.247 13.721
88 HA CYS 15 HA CYS 15 -12.698 -2.807 11.504
89 2HB CYS 15 2HB CYS 15 -10.245 -2.080 11.151
90 H TRP 16 H TRP 16 -9.402 -4.078 11.328
91 HA TRP 16 HA TRP 16 -9.714 -6.585 10.348
92 2HB TRP 16 2HB TRP 16 -11.126 -6.155 8.607
93 HD1 TRP 16 HD TRP 16 -8.612 -3.249 7.815
94 HE1 TRP 16 1HE TRP 16 -9.919 -1.094 7.035
95 HE3 TRP 16 3HE TRP 16 -13.261 -5.243 8.333
96 HZ2 TRP 16 2HZ TRP 16 -12.689 -0.480 6.728
97 HZ3 TRP 16 3HZ TRP 16 -15.213 -3.798 7.772
98 HH2 TRP 16 HH TRP 16 -14.983 -1.493 6.994
99 H VAL 17 H VAL 17 -7.623 -7.284 10.476
100 HA VAL 17 HA VAL 17 -5.415 -7.201 10.651
101 HB VAL 17 HB VAL 17 -5.883 -7.130 8.165
102 1HG1 VAL 17 1HG1 VAL 17 -5.416 -4.209 8.693
103 2HG1 VAL 17 2HG1 VAL 17 -4.885 -4.917 7.150
104 3HG1 VAL 17 3HG1 VAL 17 -6.599 -4.998 7.623
105 1HG2 VAL 17 1HG2 VAL 17 -3.232 -5.835 8.536
106 2HG2 VAL 17 2HG2 VAL 17 -3.555 -7.277 9.529
107 3HG2 VAL 17 3HG2 VAL 17 -3.662 -7.377 7.755
108 H ASN 18 H ASN 18 -3.373 -5.538 10.563
109 HA ASN 18 HA ASN 18 -3.778 -3.862 12.685
110 2HB ASN 18 2HB ASN 18 -1.543 -2.801 11.864
111 1HD2 ASN 18 1HD2 ASN 18 -0.930 -3.506 13.825
112 2HD2 ASN 18 2HD2 ASN 18 -0.449 -5.127 14.201
113 H ARG 19 H ARG 19 -5.390 -2.242 12.480
114 HA ARG 19 HA ARG 19 -5.423 -0.697 10.059
115 2HB ARG 19 2HB ARG 19 -7.374 0.449 11.556
116 2HG ARG 19 2HG ARG 19 -8.285 -2.227 10.766
117 2HD ARG 19 2HD ARG 19 -9.647 -0.087 10.789
118 HE ARG 19 HE ARG 19 -8.620 1.686 9.675
119 1HH1 ARG 19 2HH2 ARG 19 -8.132 -1.251 7.798
120 2HH1 ARG 19 1HH2 ARG 19 -7.362 -0.434 6.480
121 1HH2 ARG 19 2HH1 ARG 19 -7.604 2.765 7.936
122 2HH2 ARG 19 1HH1 ARG 19 -7.060 1.867 6.559
123 H GLY 20 H GLY 20 -3.303 -0.620 12.389
124 1HA GLY 20 1HA GLY 20 -3.341 2.319 12.685
125 2HA GLY 20 2HA GLY 20 -3.000 1.266 14.043
126 H GLU 21 H GLU 21 -1.236 -0.547 13.467
127 HA GLU 21 HA GLU 21 1.127 0.735 13.159
128 2HB GLU 21 2HB GLU 21 2.118 -1.515 12.840
129 2HG GLU 21 2HG GLU 21 1.261 -2.556 14.848
130 HE2 GLU 21 HE2 GLU 21 0.923 0.593 16.883
131 H ALA 22 H ALA 22 -0.933 -0.826 10.651
132 HA ALA 22 HA ALA 22 0.850 -0.737 8.541
133 1HB ALA 22 1HB ALA 22 -1.563 -1.743 8.823
134 2HB ALA 22 2HB ALA 22 -2.092 -0.167 8.188
135 3HB ALA 22 3HB ALA 22 -1.018 -1.203 7.218
136 H THR 23 H THR 23 -1.522 1.752 9.696
137 HA THR 23 HA THR 23 -0.932 3.641 7.720
138 HB THR 23 HB THR 23 -2.181 3.615 10.482
139 HG1 THR 23 1HG THR 23 -3.820 3.414 9.012
140 1HG2 THR 23 1HG2 THR 23 -1.155 5.826 10.501
141 2HG2 THR 23 2HG2 THR 23 -1.524 6.068 8.776
142 3HG2 THR 23 3HG2 THR 23 -2.841 6.046 9.972
143 H GLN 24 H GLN 24 0.613 2.943 10.883
144 HA GLN 24 HA GLN 24 2.197 5.227 10.875
145 2HB GLN 24 2HB GLN 24 3.523 4.041 12.601
146 2HG GLN 24 2HG GLN 24 1.554 3.294 14.076
147 1HE2 GLN 24 1HE2 GLN 24 -0.061 5.640 12.183
148 2HE2 GLN 24 2HE2 GLN 24 0.418 7.068 13.038
149 H SER 25 H SER 25 3.414 1.827 10.456
150 HA SER 25 HA SER 25 4.737 2.574 8.048
151 2HB SER 25 2HB SER 25 6.343 1.985 10.571
152 HG SER 25 HG SER 25 7.608 0.988 9.101
153 H ILE 26 H ILE 26 6.225 0.559 7.351
154 HA ILE 26 HA ILE 26 4.566 -1.642 7.190
155 HB ILE 26 HB ILE 26 6.789 -2.792 6.528
156 2HG1 ILE 26 2HG1 ILE 26 7.849 -0.461 7.670
157 1HG2 ILE 26 1HG2 ILE 26 4.931 -1.724 5.082
158 2HG2 ILE 26 2HG2 ILE 26 6.082 -0.381 4.871
159 3HG2 ILE 26 3HG2 ILE 26 6.525 -2.024 4.349
160 1HD1 ILE 26 1HD1 ILE 26 9.933 -1.472 7.164
161 2HD1 ILE 26 2HD1 ILE 26 8.810 -2.852 7.246
162 3HD1 ILE 26 3HD1 ILE 26 9.313 -2.205 5.665
163 H ILE 27 H ILE 27 7.260 -0.895 9.466
164 HA ILE 27 HA ILE 27 6.901 -3.431 10.789
165 HB ILE 27 HB ILE 27 8.564 -1.198 11.869
166 2HG1 ILE 27 2HG1 ILE 27 8.850 -2.390 9.189
167 1HG2 ILE 27 1HG2 ILE 27 9.850 -2.872 12.803
168 2HG2 ILE 27 2HG2 ILE 27 8.220 -3.584 12.862
169 3HG2 ILE 27 3HG2 ILE 27 9.361 -4.078 11.590
170 1HD1 ILE 27 1HD1 ILE 27 8.933 0.140 10.334
171 2HD1 ILE 27 2HD1 ILE 27 10.657 -0.234 10.099
172 3HD1 ILE 27 3HD1 ILE 27 9.542 -0.271 8.713
173 H GLY 28 H GLY 28 6.016 0.011 11.205
174 1HA GLY 28 1HA GLY 28 4.296 0.858 12.428
175 2HA GLY 28 2HA GLY 28 3.947 -0.737 13.065
176 H GLY 29 H GLY 29 6.299 -1.542 14.291
177 1HA GLY 29 1HA GLY 29 6.270 0.041 16.672
178 2HA GLY 29 2HA GLY 29 7.231 -1.388 16.346
179 H MET 30 H MET 30 8.614 -0.559 13.976
180 HA MET 30 HA MET 30 10.751 0.738 15.087
181 2HB MET 30 2HB MET 30 11.304 1.156 12.539
182 2HG MET 30 2HG MET 30 11.176 -1.511 12.179
183 1HE MET 30 1HE MET 30 13.456 -2.938 14.130
184 2HE MET 30 2HE MET 30 13.072 -2.823 12.397
185 3HE MET 30 3HE MET 30 14.678 -2.334 12.988
186 H ILE 31 H ILE 31 8.202 2.070 12.862
187 HA ILE 31 HA ILE 31 9.179 4.647 12.744
188 HB ILE 31 HB ILE 31 7.494 3.800 11.255
189 2HG1 ILE 31 2HG1 ILE 31 7.619 6.209 11.524
190 1HG2 ILE 31 1HG2 ILE 31 5.241 3.309 11.891
191 2HG2 ILE 31 2HG2 ILE 31 6.327 2.373 12.945
192 3HG2 ILE 31 3HG2 ILE 31 5.536 3.842 13.564
193 1HD1 ILE 31 1HD1 ILE 31 5.269 6.804 10.918
194 2HD1 ILE 31 2HD1 ILE 31 5.834 5.358 10.048
195 3HD1 ILE 31 3HD1 ILE 31 4.742 5.187 11.444
196 H SER 32 H SER 32 6.701 3.258 15.008
197 HA SER 32 HA SER 32 6.117 5.425 16.433
198 2HB SER 32 2HB SER 32 5.947 3.815 18.443
199 HG SER 32 HG SER 32 4.262 4.115 16.712
200 H GLY 33 H GLY 33 9.162 3.561 16.496
201 1HA GLY 33 1HA GLY 33 10.218 4.755 18.860
202 2HA GLY 33 2HA GLY 33 11.085 3.831 17.649
203 H TRP 34 H TRP 34 10.445 5.416 15.311
204 HA TRP 34 HA TRP 34 12.472 7.309 15.440
205 2HB TRP 34 2HB TRP 34 10.165 7.255 13.491
206 HD1 TRP 34 HD TRP 34 13.983 8.090 13.782
207 HE1 TRP 34 1HE TRP 34 14.639 9.991 12.072
208 HE3 TRP 34 3HE TRP 34 9.375 8.512 11.674
209 HZ2 TRP 34 2HZ TRP 34 13.190 11.424 10.075
210 HZ3 TRP 34 3HZ TRP 34 9.080 10.187 9.851
211 HH2 TRP 34 HH TRP 34 10.895 11.613 9.047
212 H ALA 35 H ALA 35 8.854 7.689 15.472
213 HA ALA 35 HA ALA 35 8.896 10.458 15.847
214 1HB ALA 35 1HB ALA 35 6.973 9.027 15.062
215 2HB ALA 35 2HB ALA 35 6.772 8.470 16.740
216 3HB ALA 35 3HB ALA 35 6.543 10.190 16.340
217 H SER 36 H SER 36 9.056 7.674 18.101
218 HA SER 36 HA SER 36 8.544 9.055 20.418
219 2HB SER 36 2HB SER 36 10.544 7.049 20.936
220 HG SER 36 HG SER 36 8.961 6.352 22.206
221 H GLY 37 H GLY 37 11.528 8.703 18.463
222 1HA GLY 37 1HA GLY 37 13.279 9.855 20.406
223 2HA GLY 37 2HA GLY 37 13.606 9.559 18.710
224 H LEU 38 H LEU 38 11.698 11.053 17.355
225 HA LEU 38 HA LEU 38 12.776 13.595 17.424
226 2HB LEU 38 2HB LEU 38 10.989 14.200 15.917
227 HG LEU 38 HG LEU 38 12.232 11.508 15.531
228 1HD1 LEU 38 1HD1 LEU 38 10.484 10.736 14.375
229 2HD1 LEU 38 2HD1 LEU 38 9.700 12.333 14.310
230 3HD1 LEU 38 3HD1 LEU 38 10.959 11.912 13.125
231 1HD2 LEU 38 1HD2 LEU 38 13.705 12.688 14.368
232 2HD2 LEU 38 2HD2 LEU 38 12.423 13.326 13.311
233 3HD2 LEU 38 3HD2 LEU 38 12.834 14.171 14.823
234 H ALA 39 H ALA 39 9.672 12.362 18.831
235 HA ALA 39 HA ALA 39 8.941 14.841 19.934
236 1HB ALA 39 1HB ALA 39 7.067 13.679 20.398
237 2HB ALA 39 2HB ALA 39 7.848 12.274 19.633
238 3HB ALA 39 3HB ALA 39 7.963 12.507 21.394
239 H GLY 40 H GLY 40 11.231 12.335 20.871
240 1HA GLY 40 1HA GLY 40 11.327 13.003 23.652
241 2HA GLY 40 2HA GLY 40 12.453 12.012 22.748
242 H MET 41 H MET 41 11.398 15.493 22.911
243 HA MET 41 HA MET 41 12.516 17.357 22.859
244 2HB MET 41 2HB MET 41 15.136 16.837 23.728
245 2HG MET 41 2HG MET 41 12.939 16.815 25.789
246 1HE MET 41 1HE MET 41 13.155 19.412 26.846
247 2HE MET 41 2HE MET 41 13.768 18.357 28.141
248 3HE MET 41 3HE MET 41 14.678 19.814 27.674
Start of MODEL 18
1 1H ALA 1 1H ALA 1 -22.259 4.297 18.584
2 HA ALA 1 HA ALA 1 -22.522 2.038 18.156
3 1HB ALA 1 1HB ALA 1 -23.336 2.218 15.544
4 2HB ALA 1 2HB ALA 1 -24.306 2.749 16.939
5 3HB ALA 1 3HB ALA 1 -23.339 3.931 16.026
6 H ARG 2 H ARG 2 -20.815 3.492 15.286
7 HA ARG 2 HA ARG 2 -19.850 1.186 14.280
8 2HB ARG 2 2HB ARG 2 -17.937 3.491 14.244
9 2HG ARG 2 2HG ARG 2 -19.129 1.492 12.371
10 2HD ARG 2 2HD ARG 2 -18.391 4.331 11.522
11 HE ARG 2 HE ARG 2 -17.613 2.120 10.103
12 1HH1 ARG 2 2HH2 ARG 2 -20.165 4.482 9.563
13 2HH1 ARG 2 1HH2 ARG 2 -20.119 4.328 7.839
14 1HH2 ARG 2 2HH1 ARG 2 -17.552 1.916 7.827
15 2HH2 ARG 2 1HH1 ARG 2 -18.623 2.859 6.845
16 H SER 3 H SER 3 -17.954 -0.104 14.587
17 HA SER 3 HA SER 3 -15.883 0.649 16.271
18 2HB SER 3 2HB SER 3 -17.731 -1.418 17.534
19 HG SER 3 HG SER 3 -15.256 -1.128 18.003
20 H TYR 4 H TYR 4 -17.924 -2.009 14.949
21 HA TYR 4 HA TYR 4 -17.422 -3.922 13.943
22 2HB TYR 4 2HB TYR 4 -15.076 -3.717 12.675
23 HD1 TYR 4 1HD TYR 4 -16.387 -4.202 10.746
24 HD2 TYR 4 2HD TYR 4 -16.845 -0.447 12.744
25 HE1 TYR 4 1HE TYR 4 -17.783 -3.333 8.807
26 HE2 TYR 4 2HE TYR 4 -18.239 0.410 10.799
27 HH TYR 4 HH TYR 4 -19.752 -0.825 8.988
28 H GLY 5 H GLY 5 -13.957 -3.226 14.547
29 1HA GLY 5 1HA GLY 5 -13.938 -5.291 16.649
30 2HA GLY 5 2HA GLY 5 -12.888 -5.441 15.255
31 H ASN 6 H ASN 6 -11.506 -3.381 14.743
32 HA ASN 6 HA ASN 6 -10.920 -1.876 17.124
33 2HB ASN 6 2HB ASN 6 -8.486 -2.954 15.752
34 1HD2 ASN 6 1HD2 ASN 6 -7.261 -1.517 16.799
35 2HD2 ASN 6 2HD2 ASN 6 -7.110 -1.379 18.519
36 H GLY 7 H GLY 7 -11.314 0.129 16.104
37 1HA GLY 7 1HA GLY 7 -10.849 1.920 14.814
38 2HA GLY 7 2HA GLY 7 -9.433 1.090 14.197
39 H VAL 8 H VAL 8 -12.272 2.482 13.235
40 HA VAL 8 HA VAL 8 -12.198 1.113 10.717
41 HB VAL 8 HB VAL 8 -14.424 0.724 12.678
42 1HG1 VAL 8 1HG1 VAL 8 -15.555 -0.105 10.316
43 2HG1 VAL 8 2HG1 VAL 8 -15.936 1.414 11.161
44 3HG1 VAL 8 3HG1 VAL 8 -14.750 1.407 9.833
45 1HG2 VAL 8 1HG2 VAL 8 -12.713 -0.954 10.894
46 2HG2 VAL 8 2HG2 VAL 8 -13.239 -1.231 12.572
47 3HG2 VAL 8 3HG2 VAL 8 -14.369 -1.514 11.225
48 H TYR 9 H TYR 9 -14.547 3.105 12.657
49 HA TYR 9 HA TYR 9 -15.324 4.759 10.619
50 2HB TYR 9 2HB TYR 9 -16.451 4.826 12.757
51 HD1 TYR 9 1HD TYR 9 -15.858 3.147 14.376
52 HD2 TYR 9 2HD TYR 9 -13.528 6.718 14.021
53 HE1 TYR 9 1HE TYR 9 -14.681 2.605 16.564
54 HE2 TYR 9 2HE TYR 9 -12.359 6.164 16.209
55 HH TYR 9 HH TYR 9 -11.860 4.066 17.501
56 H CYS 10 H CYS 10 -12.224 4.615 12.235
57 HA CYS 10 HA CYS 10 -10.351 5.701 11.847
58 2HB CYS 10 2HB CYS 10 -11.055 7.759 9.982
59 H ASN 11 H ASN 11 -9.332 7.569 12.796
60 HA ASN 11 HA ASN 11 -10.946 8.934 14.603
61 2HB ASN 11 2HB ASN 11 -8.070 9.264 13.650
62 1HD2 ASN 11 1HD2 ASN 11 -10.053 10.188 16.459
63 2HD2 ASN 11 2HD2 ASN 11 -9.481 11.816 16.607
64 H ASN 12 H ASN 12 -8.642 10.602 12.362
65 HA ASN 12 HA ASN 12 -10.461 11.816 10.731
66 2HB ASN 12 2HB ASN 12 -11.484 13.137 12.393
67 1HD2 ASN 12 1HD2 ASN 12 -8.244 14.335 13.045
68 2HD2 ASN 12 2HD2 ASN 12 -8.204 14.006 14.744
69 H LYS 13 H LYS 13 -7.597 12.492 12.866
70 HA LYS 13 HA LYS 13 -6.224 13.684 10.580
71 2HB LYS 13 2HB LYS 13 -5.802 13.790 13.566
72 2HG LYS 13 2HG LYS 13 -3.928 15.454 12.180
73 2HD LYS 13 2HD LYS 13 -3.830 14.305 14.507
74 2HE LYS 13 2HE LYS 13 -3.091 12.035 12.642
75 1HZ LYS 13 1HZ LYS 13 -2.192 12.271 15.426
76 2HZ LYS 13 2HZ LYS 13 -1.882 11.047 14.391
77 3HZ LYS 13 3HZ LYS 13 -1.214 12.517 14.142
78 H LYS 14 H LYS 14 -5.833 11.151 13.142
79 HA LYS 14 HA LYS 14 -3.468 10.137 11.921
80 2HB LYS 14 2HB LYS 14 -3.799 9.983 14.321
81 2HG LYS 14 2HG LYS 14 -6.150 8.166 13.607
82 2HD LYS 14 2HD LYS 14 -4.431 7.957 15.802
83 2HE LYS 14 2HE LYS 14 -6.156 10.177 16.318
84 1HZ LYS 14 1HZ LYS 14 -6.776 8.326 18.379
85 2HZ LYS 14 2HZ LYS 14 -7.745 9.402 17.624
86 3HZ LYS 14 3HZ LYS 14 -7.486 7.931 16.962
87 H CYS 15 H CYS 15 -6.940 9.124 12.078
88 HA CYS 15 HA CYS 15 -8.021 7.526 10.988
89 2HB CYS 15 2HB CYS 15 -6.558 8.433 8.521
90 H TRP 16 H TRP 16 -6.915 5.708 12.042
91 HA TRP 16 HA TRP 16 -4.535 4.605 11.439
92 2HB TRP 16 2HB TRP 16 -5.504 3.474 13.119
93 HD1 TRP 16 HD TRP 16 -8.528 2.436 10.929
94 HE1 TRP 16 1HE TRP 16 -10.805 3.083 12.095
95 HE3 TRP 16 3HE TRP 16 -6.430 5.009 14.779
96 HZ2 TRP 16 2HZ TRP 16 -11.458 4.565 14.445
97 HZ3 TRP 16 3HZ TRP 16 -7.957 6.025 16.467
98 HH2 TRP 16 HH TRP 16 -10.391 5.836 16.344
99 H VAL 17 H VAL 17 -7.692 3.796 9.807
100 HA VAL 17 HA VAL 17 -8.151 3.081 7.768
101 HB VAL 17 HB VAL 17 -5.558 4.511 7.300
102 1HG1 VAL 17 1HG1 VAL 17 -5.269 2.915 5.634
103 2HG1 VAL 17 2HG1 VAL 17 -7.018 2.737 5.353
104 3HG1 VAL 17 3HG1 VAL 17 -6.169 4.192 4.782
105 1HG2 VAL 17 1HG2 VAL 17 -7.571 5.526 5.656
106 2HG2 VAL 17 2HG2 VAL 17 -8.410 5.105 7.168
107 3HG2 VAL 17 3HG2 VAL 17 -7.013 6.208 7.203
108 H ASN 18 H ASN 18 -4.591 2.528 7.521
109 HA ASN 18 HA ASN 18 -5.155 -0.308 7.813
110 2HB ASN 18 2HB ASN 18 -2.998 0.128 5.900
111 1HD2 ASN 18 1HD2 ASN 18 -6.080 0.009 4.487
112 2HD2 ASN 18 2HD2 ASN 18 -6.257 -1.705 4.314
113 H ARG 19 H ARG 19 -4.147 -0.220 9.937
114 HA ARG 19 HA ARG 19 -1.374 0.648 9.899
115 2HB ARG 19 2HB ARG 19 -2.594 1.844 11.597
116 2HG ARG 19 2HG ARG 19 -3.792 -0.879 12.216
117 2HD ARG 19 2HD ARG 19 -4.876 0.304 14.207
118 HE ARG 19 HE ARG 19 -1.990 0.187 14.800
119 1HH1 ARG 19 2HH2 ARG 19 -4.958 -1.641 14.311
120 2HH1 ARG 19 1HH2 ARG 19 -4.385 -3.041 15.155
121 1HH2 ARG 19 2HH1 ARG 19 -1.235 -1.660 15.913
122 2HH2 ARG 19 1HH1 ARG 19 -2.253 -3.052 16.073
123 H GLY 20 H GLY 20 -3.510 -2.086 10.066
124 1HA GLY 20 1HA GLY 20 -2.249 -3.895 11.704
125 2HA GLY 20 2HA GLY 20 -3.120 -4.293 10.236
126 H GLU 21 H GLU 21 -1.640 -3.341 8.155
127 HA GLU 21 HA GLU 21 0.359 -5.192 7.927
128 2HB GLU 21 2HB GLU 21 -0.664 -4.194 5.969
129 2HG GLU 21 2HG GLU 21 -0.616 -1.813 7.316
130 HE2 GLU 21 HE2 GLU 21 1.537 0.460 5.782
131 H ALA 22 H ALA 22 0.449 -1.803 9.084
132 HA ALA 22 HA ALA 22 3.226 -1.484 9.037
133 1HB ALA 22 1HB ALA 22 1.340 -0.235 11.055
134 2HB ALA 22 2HB ALA 22 2.804 0.463 10.321
135 3HB ALA 22 3HB ALA 22 1.334 0.245 9.342
136 H THR 23 H THR 23 0.961 -2.584 11.652
137 HA THR 23 HA THR 23 2.919 -2.986 13.594
138 HB THR 23 HB THR 23 0.103 -3.938 13.031
139 HG1 THR 23 1HG THR 23 1.572 -2.676 15.238
140 1HG2 THR 23 1HG2 THR 23 0.034 -5.276 15.028
141 2HG2 THR 23 2HG2 THR 23 1.468 -5.861 14.152
142 3HG2 THR 23 3HG2 THR 23 1.659 -4.748 15.527
143 H GLN 24 H GLN 24 1.317 -5.562 11.597
144 HA GLN 24 HA GLN 24 2.983 -7.559 12.348
145 2HB GLN 24 2HB GLN 24 1.036 -8.115 11.096
146 2HG GLN 24 2HG GLN 24 1.567 -5.771 9.659
147 1HE2 GLN 24 1HE2 GLN 24 0.146 -7.030 7.217
148 2HE2 GLN 24 2HE2 GLN 24 1.434 -7.433 6.131
149 H SER 25 H SER 25 3.581 -4.881 10.110
150 HA SER 25 HA SER 25 5.816 -6.110 8.889
151 2HB SER 25 2HB SER 25 6.239 -3.633 8.165
152 HG SER 25 HG SER 25 3.986 -3.773 6.960
153 H ILE 26 H ILE 26 8.006 -5.963 9.452
154 HA ILE 26 HA ILE 26 8.714 -5.548 12.058
155 HB ILE 26 HB ILE 26 10.990 -5.593 11.297
156 2HG1 ILE 26 2HG1 ILE 26 11.698 -5.289 9.055
157 1HG2 ILE 26 1HG2 ILE 26 10.521 -7.512 9.410
158 2HG2 ILE 26 2HG2 ILE 26 10.444 -7.762 11.171
159 3HG2 ILE 26 3HG2 ILE 26 8.953 -7.441 10.251
160 1HD1 ILE 26 1HD1 ILE 26 9.466 -6.386 8.156
161 2HD1 ILE 26 2HD1 ILE 26 8.878 -4.706 8.123
162 3HD1 ILE 26 3HD1 ILE 26 10.306 -5.169 7.166
163 H ILE 27 H ILE 27 8.615 -3.206 9.330
164 HA ILE 27 HA ILE 27 9.918 -1.113 10.568
165 HB ILE 27 HB ILE 27 8.333 0.265 9.042
166 2HG1 ILE 27 2HG1 ILE 27 6.773 -1.863 8.949
167 1HG2 ILE 27 1HG2 ILE 27 10.533 0.075 8.348
168 2HG2 ILE 27 2HG2 ILE 27 10.455 -1.699 8.220
169 3HG2 ILE 27 3HG2 ILE 27 9.642 -0.682 7.006
170 1HD1 ILE 27 1HD1 ILE 27 7.027 -0.828 6.208
171 2HD1 ILE 27 2HD1 ILE 27 5.686 -0.650 7.364
172 3HD1 ILE 27 3HD1 ILE 27 7.068 0.471 7.424
173 H GLY 28 H GLY 28 6.720 -2.500 11.131
174 1HA GLY 28 1HA GLY 28 5.193 -0.586 12.190
175 2HA GLY 28 2HA GLY 28 5.362 -2.168 12.924
176 H GLY 29 H GLY 29 8.211 -1.893 13.653
177 1HA GLY 29 1HA GLY 29 7.863 -0.566 16.158
178 2HA GLY 29 2HA GLY 29 9.310 -1.345 15.550
179 H MET 30 H MET 30 10.003 -0.002 13.265
180 HA MET 30 HA MET 30 11.191 2.266 14.241
181 2HB MET 30 2HB MET 30 11.220 2.726 11.550
182 2HG MET 30 2HG MET 30 13.014 1.673 13.282
183 1HE MET 30 1HE MET 30 14.967 -0.009 12.666
184 2HE MET 30 2HE MET 30 14.222 -0.726 14.117
185 3HE MET 30 3HE MET 30 14.636 -1.757 12.725
186 H ILE 31 H ILE 31 8.264 1.946 12.116
187 HA ILE 31 HA ILE 31 7.782 4.642 11.783
188 HB ILE 31 HB ILE 31 6.703 2.954 10.469
189 2HG1 ILE 31 2HG1 ILE 31 5.566 5.094 10.649
190 1HG2 ILE 31 1HG2 ILE 31 6.481 1.426 12.621
191 2HG2 ILE 31 2HG2 ILE 31 4.849 2.135 12.660
192 3HG2 ILE 31 3HG2 ILE 31 5.397 1.242 11.222
193 1HD1 ILE 31 1HD1 ILE 31 3.174 4.282 10.298
194 2HD1 ILE 31 2HD1 ILE 31 4.394 3.470 9.288
195 3HD1 ILE 31 3HD1 ILE 31 3.743 2.651 10.728
196 H SER 32 H SER 32 6.453 2.390 14.306
197 HA SER 32 HA SER 32 4.893 4.065 15.652
198 2HB SER 32 2HB SER 32 5.788 2.796 17.773
199 HG SER 32 HG SER 32 4.732 1.462 15.432
200 H GLY 33 H GLY 33 8.473 4.016 15.623
201 1HA GLY 33 1HA GLY 33 8.831 5.818 17.799
202 2HA GLY 33 2HA GLY 33 10.015 5.347 16.596
203 H TRP 34 H TRP 34 8.603 6.144 14.204
204 HA TRP 34 HA TRP 34 9.366 8.810 14.052
205 2HB TRP 34 2HB TRP 34 7.371 7.412 12.268
206 HD1 TRP 34 HD TRP 34 10.247 10.070 12.283
207 HE1 TRP 34 1HE TRP 34 9.862 11.852 10.376
208 HE3 TRP 34 3HE TRP 34 6.079 7.884 10.359
209 HZ2 TRP 34 2HZ TRP 34 7.901 12.142 8.323
210 HZ3 TRP 34 3HZ TRP 34 4.991 8.981 8.404
211 HH2 TRP 34 HH TRP 34 5.836 11.037 7.388
212 H ALA 35 H ALA 35 6.031 7.343 14.128
213 HA ALA 35 HA ALA 35 4.671 9.748 14.348
214 1HB ALA 35 1HB ALA 35 2.788 8.376 14.963
215 2HB ALA 35 2HB ALA 35 3.760 7.449 13.794
216 3HB ALA 35 3HB ALA 35 3.853 7.068 15.531
217 H SER 36 H SER 36 6.217 7.643 16.811
218 HA SER 36 HA SER 36 5.101 8.974 18.996
219 2HB SER 36 2HB SER 36 7.411 7.942 20.017
220 HG SER 36 HG SER 36 6.202 5.878 20.152
221 H GLY 37 H GLY 37 7.963 9.515 16.932
222 1HA GLY 37 1HA GLY 37 9.298 11.349 18.634
223 2HA GLY 37 2HA GLY 37 9.544 11.120 16.915
224 H LEU 38 H LEU 38 7.264 11.826 15.648
225 HA LEU 38 HA LEU 38 7.284 14.588 15.735
226 2HB LEU 38 2HB LEU 38 6.631 13.434 13.772
227 HG LEU 38 HG LEU 38 5.366 11.538 15.113
228 1HD1 LEU 38 1HD1 LEU 38 3.280 11.914 15.784
229 2HD1 LEU 38 2HD1 LEU 38 3.576 13.644 15.486
230 3HD1 LEU 38 3HD1 LEU 38 2.831 12.637 14.220
231 1HD2 LEU 38 1HD2 LEU 38 5.170 12.535 12.347
232 2HD2 LEU 38 2HD2 LEU 38 5.555 10.912 12.967
233 3HD2 LEU 38 3HD2 LEU 38 3.859 11.437 12.843
234 H ALA 39 H ALA 39 4.908 12.240 17.145
235 HA ALA 39 HA ALA 39 3.321 14.274 18.297
236 1HB ALA 39 1HB ALA 39 3.026 11.614 17.773
237 2HB ALA 39 2HB ALA 39 3.344 11.566 19.524
238 3HB ALA 39 3HB ALA 39 1.984 12.525 18.891
239 H GLY 40 H GLY 40 6.285 12.571 19.227
240 1HA GLY 40 1HA GLY 40 6.122 13.230 22.014
241 2HA GLY 40 2HA GLY 40 7.497 12.580 21.143
242 H MET 41 H MET 41 5.538 15.637 21.369
243 HA MET 41 HA MET 41 7.268 17.339 20.222
244 2HB MET 41 2HB MET 41 5.969 18.181 22.825
245 2HG MET 41 2HG MET 41 6.662 19.363 20.227
246 1HE MET 41 1HE MET 41 5.668 21.295 19.096
247 2HE MET 41 2HE MET 41 3.931 21.628 18.903
248 3HE MET 41 3HE MET 41 4.783 22.171 20.367
Start of MODEL 19
1 1H ALA 1 1H ALA 1 -18.960 -0.489 15.240
2 HA ALA 1 HA ALA 1 -20.524 -2.891 14.581
3 1HB ALA 1 1HB ALA 1 -20.302 -0.212 13.156
4 2HB ALA 1 2HB ALA 1 -21.049 -1.659 12.439
5 3HB ALA 1 3HB ALA 1 -21.753 -0.927 13.900
6 H ARG 2 H ARG 2 -18.065 -0.610 13.161
7 HA ARG 2 HA ARG 2 -16.970 -2.749 11.663
8 2HB ARG 2 2HB ARG 2 -15.117 -0.777 11.374
9 2HG ARG 2 2HG ARG 2 -16.740 -1.709 9.635
10 2HD ARG 2 2HD ARG 2 -18.655 0.159 9.297
11 HE ARG 2 HE ARG 2 -18.692 -2.416 10.730
12 1HH1 ARG 2 2HH2 ARG 2 -20.603 0.218 9.391
13 2HH1 ARG 2 1HH2 ARG 2 -22.055 -0.720 9.283
14 1HH2 ARG 2 2HH1 ARG 2 -20.609 -3.654 10.589
15 2HH2 ARG 2 1HH1 ARG 2 -22.058 -2.937 9.969
16 H SER 3 H SER 3 -14.655 -3.455 11.823
17 HA SER 3 HA SER 3 -12.921 -2.736 13.757
18 2HB SER 3 2HB SER 3 -13.360 -4.952 15.255
19 HG SER 3 HG SER 3 -14.180 -2.254 15.485
20 H TYR 4 H TYR 4 -12.852 -3.575 11.082
21 HA TYR 4 HA TYR 4 -12.153 -6.346 10.924
22 2HB TYR 4 2HB TYR 4 -11.395 -5.407 8.584
23 HD1 TYR 4 1HD TYR 4 -14.310 -3.344 9.478
24 HD2 TYR 4 2HD TYR 4 -13.009 -7.141 7.997
25 HE1 TYR 4 1HE TYR 4 -16.675 -3.858 8.698
26 HE2 TYR 4 2HE TYR 4 -15.378 -7.642 7.222
27 HH TYR 4 HH TYR 4 -18.038 -5.690 8.180
28 H GLY 5 H GLY 5 -10.368 -6.901 12.167
29 1HA GLY 5 1HA GLY 5 -8.251 -6.811 12.978
30 2HA GLY 5 2HA GLY 5 -7.849 -6.701 11.276
31 H ASN 6 H ASN 6 -9.532 -4.272 13.372
32 HA ASN 6 HA ASN 6 -9.154 -2.147 13.662
33 2HB ASN 6 2HB ASN 6 -7.003 -1.560 14.684
34 1HD2 ASN 6 1HD2 ASN 6 -6.287 -2.323 16.685
35 2HD2 ASN 6 2HD2 ASN 6 -7.038 -3.655 17.499
36 H GLY 7 H GLY 7 -9.584 -1.219 11.572
37 1HA GLY 7 1HA GLY 7 -7.910 0.372 10.291
38 2HA GLY 7 2HA GLY 7 -7.435 -1.165 9.596
39 H VAL 8 H VAL 8 -10.523 0.568 10.453
40 HA VAL 8 HA VAL 8 -11.385 0.540 7.750
41 HB VAL 8 HB VAL 8 -12.255 -1.615 9.605
42 1HG1 VAL 8 1HG1 VAL 8 -14.406 -1.767 8.150
43 2HG1 VAL 8 2HG1 VAL 8 -14.366 -0.626 9.516
44 3HG1 VAL 8 3HG1 VAL 8 -14.131 -0.033 7.853
45 1HG2 VAL 8 1HG2 VAL 8 -12.692 -2.567 7.142
46 2HG2 VAL 8 2HG2 VAL 8 -11.536 -1.279 6.728
47 3HG2 VAL 8 3HG2 VAL 8 -11.076 -2.550 7.887
48 H TYR 9 H TYR 9 -12.234 0.710 11.253
49 HA TYR 9 HA TYR 9 -14.276 2.684 10.685
50 2HB TYR 9 2HB TYR 9 -14.642 0.973 12.431
51 HD1 TYR 9 1HD TYR 9 -12.987 -0.801 12.613
52 HD2 TYR 9 2HD TYR 9 -12.351 2.984 14.504
53 HE1 TYR 9 1HE TYR 9 -11.096 -1.798 13.989
54 HE2 TYR 9 2HE TYR 9 -10.463 1.973 15.875
55 HH TYR 9 HH TYR 9 -10.018 -1.311 16.183
56 H CYS 10 H CYS 10 -11.670 3.509 9.831
57 HA CYS 10 HA CYS 10 -10.242 4.924 11.708
58 2HB CYS 10 2HB CYS 10 -10.175 6.375 9.268
59 H ASN 11 H ASN 11 -10.186 7.635 10.849
60 HA ASN 11 HA ASN 11 -12.867 8.615 10.957
61 2HB ASN 11 2HB ASN 11 -10.907 8.919 13.272
62 1HD2 ASN 11 1HD2 ASN 11 -11.297 10.494 14.829
63 2HD2 ASN 11 2HD2 ASN 11 -12.094 11.990 14.474
64 H ASN 12 H ASN 12 -9.544 9.779 11.928
65 HA ASN 12 HA ASN 12 -9.827 11.831 9.884
66 2HB ASN 12 2HB ASN 12 -8.446 13.239 11.223
67 1HD2 ASN 12 1HD2 ASN 12 -8.333 11.568 14.048
68 2HD2 ASN 12 2HD2 ASN 12 -9.850 12.004 14.761
69 H LYS 13 H LYS 13 -6.880 12.457 10.111
70 HA LYS 13 HA LYS 13 -5.875 11.026 8.040
71 2HB LYS 13 2HB LYS 13 -4.929 13.108 9.007
72 2HG LYS 13 2HG LYS 13 -3.022 12.311 10.797
73 2HD LYS 13 2HD LYS 13 -5.853 13.030 11.670
74 2HE LYS 13 2HE LYS 13 -3.419 12.718 13.088
75 1HZ LYS 13 1HZ LYS 13 -3.976 15.453 13.508
76 2HZ LYS 13 2HZ LYS 13 -2.536 14.715 13.286
77 3HZ LYS 13 3HZ LYS 13 -3.413 15.199 11.997
78 H LYS 14 H LYS 14 -6.305 10.012 11.381
79 HA LYS 14 HA LYS 14 -5.210 7.414 10.621
80 2HB LYS 14 2HB LYS 14 -3.363 8.270 11.783
81 2HG LYS 14 2HG LYS 14 -5.243 10.024 12.977
82 2HD LYS 14 2HD LYS 14 -4.042 9.610 15.410
83 2HE LYS 14 2HE LYS 14 -6.296 8.269 15.903
84 1HZ LYS 14 1HZ LYS 14 -5.847 10.630 16.342
85 2HZ LYS 14 2HZ LYS 14 -6.396 11.008 14.851
86 3HZ LYS 14 3HZ LYS 14 -7.404 10.340 15.947
87 H CYS 15 H CYS 15 -5.979 5.668 12.176
88 HA CYS 15 HA CYS 15 -8.774 6.010 12.507
89 2HB CYS 15 2HB CYS 15 -8.613 3.686 13.497
90 H TRP 16 H TRP 16 -7.215 4.200 15.064
91 HA TRP 16 HA TRP 16 -8.043 6.272 16.966
92 2HB TRP 16 2HB TRP 16 -7.524 3.977 18.406
93 HD1 TRP 16 HD TRP 16 -9.419 4.303 20.159
94 HE1 TRP 16 1HE TRP 16 -11.968 4.984 20.229
95 HE3 TRP 16 3HE TRP 16 -9.921 4.969 15.143
96 HZ2 TRP 16 2HZ TRP 16 -13.865 5.709 18.223
97 HZ3 TRP 16 3HZ TRP 16 -12.155 5.663 14.281
98 HH2 TRP 16 HH TRP 16 -14.086 6.032 15.732
99 H VAL 17 H VAL 17 -6.486 5.407 19.169
100 HA VAL 17 HA VAL 17 -4.232 6.813 19.014
101 HB VAL 17 HB VAL 17 -4.964 5.907 21.069
102 1HG1 VAL 17 1HG1 VAL 17 -5.502 3.746 21.510
103 2HG1 VAL 17 2HG1 VAL 17 -5.643 3.656 19.738
104 3HG1 VAL 17 3HG1 VAL 17 -4.157 3.095 20.543
105 1HG2 VAL 17 1HG2 VAL 17 -2.609 6.308 21.089
106 2HG2 VAL 17 2HG2 VAL 17 -2.882 4.768 21.940
107 3HG2 VAL 17 3HG2 VAL 17 -2.272 4.766 20.267
108 H ASN 18 H ASN 18 -4.383 3.246 18.312
109 HA ASN 18 HA ASN 18 -2.536 3.623 16.190
110 2HB ASN 18 2HB ASN 18 -0.969 3.503 18.135
111 1HD2 ASN 18 1HD2 ASN 18 0.130 0.967 18.816
112 2HD2 ASN 18 2HD2 ASN 18 -0.830 0.266 20.075
113 H ARG 19 H ARG 19 -4.959 2.747 15.703
114 HA ARG 19 HA ARG 19 -4.937 -0.141 16.023
115 2HB ARG 19 2HB ARG 19 -7.457 0.620 14.994
116 2HG ARG 19 2HG ARG 19 -6.319 -0.274 17.602
117 2HD ARG 19 2HD ARG 19 -8.723 1.496 17.421
118 HE ARG 19 HE ARG 19 -9.342 -1.102 17.998
119 1HH1 ARG 19 2HH2 ARG 19 -9.037 1.734 20.060
120 2HH1 ARG 19 1HH2 ARG 19 -10.196 1.174 21.219
121 1HH2 ARG 19 2HH1 ARG 19 -10.871 -1.842 19.527
122 2HH2 ARG 19 1HH1 ARG 19 -11.246 -0.874 20.914
123 H GLY 20 H GLY 20 -4.549 2.482 13.783
124 1HA GLY 20 1HA GLY 20 -5.515 1.236 11.417
125 2HA GLY 20 2HA GLY 20 -4.448 2.621 11.535
126 H GLU 21 H GLU 21 -2.726 2.170 10.205
127 HA GLU 21 HA GLU 21 -1.822 -0.293 9.546
128 2HB GLU 21 2HB GLU 21 -1.176 1.843 8.434
129 2HG GLU 21 2HG GLU 21 1.020 2.847 9.567
130 HE2 GLU 21 HE2 GLU 21 -1.810 4.431 11.601
131 H ALA 22 H ALA 22 -1.414 1.443 12.561
132 HA ALA 22 HA ALA 22 0.965 0.403 13.491
133 1HB ALA 22 1HB ALA 22 -0.166 0.744 15.764
134 2HB ALA 22 2HB ALA 22 -0.126 2.159 14.685
135 3HB ALA 22 3HB ALA 22 -1.623 1.213 14.856
136 H THR 23 H THR 23 -2.399 -0.932 13.774
137 HA THR 23 HA THR 23 -1.364 -3.373 14.921
138 HB THR 23 HB THR 23 -4.094 -2.215 14.223
139 HG1 THR 23 1HG THR 23 -4.094 -2.146 16.495
140 1HG2 THR 23 1HG2 THR 23 -3.329 -5.074 14.683
141 2HG2 THR 23 2HG2 THR 23 -4.633 -4.457 15.727
142 3HG2 THR 23 3HG2 THR 23 -4.810 -4.403 13.957
143 H GLN 24 H GLN 24 -3.132 -2.469 11.883
144 HA GLN 24 HA GLN 24 -3.220 -4.842 10.699
145 2HB GLN 24 2HB GLN 24 -2.972 -3.600 8.508
146 2HG GLN 24 2HG GLN 24 -4.578 -1.825 10.345
147 1HE2 GLN 24 1HE2 GLN 24 -4.201 -0.682 8.253
148 2HE2 GLN 24 2HE2 GLN 24 -5.291 -0.989 6.942
149 H SER 25 H SER 25 -0.390 -2.568 10.416
150 HA SER 25 HA SER 25 1.178 -4.892 9.631
151 2HB SER 25 2HB SER 25 2.757 -2.632 9.168
152 HG SER 25 HG SER 25 1.881 -4.600 7.754
153 H ILE 26 H ILE 26 2.843 -5.593 10.962
154 HA ILE 26 HA ILE 26 3.009 -4.505 13.563
155 HB ILE 26 HB ILE 26 4.916 -6.148 13.754
156 2HG1 ILE 26 2HG1 ILE 26 4.727 -6.093 10.913
157 1HG2 ILE 26 1HG2 ILE 26 3.459 -7.864 14.180
158 2HG2 ILE 26 2HG2 ILE 26 2.327 -6.492 14.107
159 3HG2 ILE 26 3HG2 ILE 26 2.505 -7.574 12.706
160 1HD1 ILE 26 1HD1 ILE 26 6.339 -8.204 12.274
161 2HD1 ILE 26 2HD1 ILE 26 6.842 -6.973 11.093
162 3HD1 ILE 26 3HD1 ILE 26 6.646 -6.534 12.806
163 H ILE 27 H ILE 27 4.929 -4.187 10.554
164 HA ILE 27 HA ILE 27 7.155 -2.956 11.667
165 HB ILE 27 HB ILE 27 6.689 -3.891 9.305
166 2HG1 ILE 27 2HG1 ILE 27 8.707 -2.407 10.394
167 1HG2 ILE 27 1HG2 ILE 27 6.000 -0.994 8.766
168 2HG2 ILE 27 2HG2 ILE 27 6.035 -2.350 7.612
169 3HG2 ILE 27 3HG2 ILE 27 4.790 -2.296 8.884
170 1HD1 ILE 27 1HD1 ILE 27 8.522 -4.368 8.554
171 2HD1 ILE 27 2HD1 ILE 27 8.876 -3.012 7.457
172 3HD1 ILE 27 3HD1 ILE 27 10.011 -3.416 8.767
173 H GLY 28 H GLY 28 3.919 -1.711 10.800
174 1HA GLY 28 1HA GLY 28 2.994 0.335 11.023
175 2HA GLY 28 2HA GLY 28 3.840 0.355 12.558
176 H GLY 29 H GLY 29 3.906 1.398 9.155
177 1HA GLY 29 1HA GLY 29 6.458 2.676 9.279
178 2HA GLY 29 2HA GLY 29 5.230 2.853 8.041
179 H MET 30 H MET 30 3.044 3.944 9.145
180 HA MET 30 HA MET 30 3.735 6.568 9.514
181 2HB MET 30 2HB MET 30 1.247 6.471 10.640
182 2HG MET 30 2HG MET 30 0.507 5.936 8.067
183 1HE MET 30 1HE MET 30 3.075 9.216 9.350
184 2HE MET 30 2HE MET 30 3.353 8.039 8.044
185 3HE MET 30 3HE MET 30 2.677 9.643 7.669
186 H ILE 31 H ILE 31 2.732 4.098 11.979
187 HA ILE 31 HA ILE 31 2.813 5.756 14.183
188 HB ILE 31 HB ILE 31 1.816 3.578 14.228
189 2HG1 ILE 31 2HG1 ILE 31 2.554 4.487 16.358
190 1HG2 ILE 31 1HG2 ILE 31 2.827 1.586 13.766
191 2HG2 ILE 31 2HG2 ILE 31 3.779 2.655 12.706
192 3HG2 ILE 31 3HG2 ILE 31 4.436 2.148 14.281
193 1HD1 ILE 31 1HD1 ILE 31 2.999 2.283 17.574
194 2HD1 ILE 31 2HD1 ILE 31 1.553 2.294 16.535
195 3HD1 ILE 31 3HD1 ILE 31 3.045 1.503 15.974
196 H SER 32 H SER 32 5.442 3.646 12.830
197 HA SER 32 HA SER 32 7.379 4.133 14.580
198 2HB SER 32 2HB SER 32 8.849 4.264 12.287
199 HG SER 32 HG SER 32 8.026 2.332 13.944
200 H GLY 33 H GLY 33 6.119 6.378 12.090
201 1HA GLY 33 1HA GLY 33 8.176 8.328 12.350
202 2HA GLY 33 2HA GLY 33 6.603 8.528 11.606
203 H TRP 34 H TRP 34 4.927 7.812 13.852
204 HA TRP 34 HA TRP 34 4.729 10.272 15.120
205 2HB TRP 34 2HB TRP 34 3.678 7.633 16.144
206 HD1 TRP 34 HD TRP 34 2.806 11.447 15.892
207 HE1 TRP 34 1HE TRP 34 1.352 12.194 17.963
208 HE3 TRP 34 3HE TRP 34 2.511 6.835 18.015
209 HZ2 TRP 34 2HZ TRP 34 0.266 10.804 20.206
210 HZ3 TRP 34 3HZ TRP 34 1.235 6.617 20.145
211 HH2 TRP 34 HH TRP 34 0.135 8.507 21.238
212 H ALA 35 H ALA 35 6.018 7.087 16.316
213 HA ALA 35 HA ALA 35 6.863 8.072 18.791
214 1HB ALA 35 1HB ALA 35 8.085 5.770 17.228
215 2HB ALA 35 2HB ALA 35 7.982 5.963 18.995
216 3HB ALA 35 3HB ALA 35 6.507 5.659 18.045
217 H SER 36 H SER 36 8.372 7.983 15.543
218 HA SER 36 HA SER 36 10.947 8.545 16.331
219 2HB SER 36 2HB SER 36 10.346 9.893 13.841
220 HG SER 36 HG SER 36 12.032 8.701 13.298
221 H GLY 37 H GLY 37 8.080 10.637 15.850
222 1HA GLY 37 1HA GLY 37 9.504 13.111 15.969
223 2HA GLY 37 2HA GLY 37 7.773 12.863 16.096
224 H LEU 38 H LEU 38 7.476 11.206 18.312
225 HA LEU 38 HA LEU 38 7.774 13.032 20.410
226 2HB LEU 38 2HB LEU 38 6.861 11.304 21.793
227 HG LEU 38 HG LEU 38 5.689 11.511 19.047
228 1HD1 LEU 38 1HD1 LEU 38 5.052 9.334 19.209
229 2HD1 LEU 38 2HD1 LEU 38 5.133 9.320 20.987
230 3HD1 LEU 38 3HD1 LEU 38 3.746 10.076 20.166
231 1HD2 LEU 38 1HD2 LEU 38 4.047 12.762 20.050
232 2HD2 LEU 38 2HD2 LEU 38 4.216 11.939 21.618
233 3HD2 LEU 38 3HD2 LEU 38 5.434 13.131 21.102
234 H ALA 39 H ALA 39 9.553 9.978 19.596
235 HA ALA 39 HA ALA 39 11.319 10.177 21.772
236 1HB ALA 39 1HB ALA 39 12.205 8.243 20.910
237 2HB ALA 39 2HB ALA 39 10.677 8.254 19.996
238 3HB ALA 39 3HB ALA 39 12.174 8.846 19.236
239 H GLY 40 H GLY 40 11.166 11.699 18.579
240 1HA GLY 40 1HA GLY 40 13.918 12.478 18.482
241 2HA GLY 40 2HA GLY 40 12.603 13.054 17.475
242 H MET 41 H MET 41 13.515 13.190 21.001
243 HA MET 41 HA MET 41 13.200 14.796 22.472
244 2HB MET 41 2HB MET 41 14.269 17.084 21.333
245 2HG MET 41 2HG MET 41 16.495 15.334 21.650
246 1HE MET 41 1HE MET 41 18.334 17.163 23.498
247 2HE MET 41 2HE MET 41 17.833 16.840 21.821
248 3HE MET 41 3HE MET 41 17.650 18.473 22.504
Start of MODEL 20
1 1H ALA 1 1H ALA 1 -21.899 4.551 19.478
2 HA ALA 1 HA ALA 1 -20.636 4.463 17.504
3 1HB ALA 1 1HB ALA 1 -19.445 6.349 19.570
4 2HB ALA 1 2HB ALA 1 -19.035 6.414 17.839
5 3HB ALA 1 3HB ALA 1 -20.710 6.701 18.369
6 H ARG 2 H ARG 2 -18.265 4.536 16.605
7 HA ARG 2 HA ARG 2 -16.988 2.253 17.779
8 2HB ARG 2 2HB ARG 2 -15.416 2.857 15.628
9 2HG ARG 2 2HG ARG 2 -17.003 0.826 16.113
10 2HD ARG 2 2HD ARG 2 -18.894 2.792 15.129
11 HE ARG 2 HE ARG 2 -18.104 1.248 12.984
12 1HH1 ARG 2 2HH2 ARG 2 -21.049 1.367 14.907
13 2HH1 ARG 2 1HH2 ARG 2 -22.071 0.850 13.607
14 1HH2 ARG 2 2HH1 ARG 2 -19.451 0.568 11.269
15 2HH2 ARG 2 1HH1 ARG 2 -21.155 0.392 11.524
16 H SER 3 H SER 3 -14.561 2.244 18.113
17 HA SER 3 HA SER 3 -12.901 4.313 17.998
18 2HB SER 3 2HB SER 3 -13.141 4.910 20.675
19 HG SER 3 HG SER 3 -14.298 6.192 18.360
20 H TYR 4 H TYR 4 -12.822 1.511 17.894
21 HA TYR 4 HA TYR 4 -11.863 0.442 20.368
22 2HB TYR 4 2HB TYR 4 -11.253 -1.440 18.637
23 HD1 TYR 4 1HD TYR 4 -14.339 0.223 17.425
24 HD2 TYR 4 2HD TYR 4 -12.697 -2.732 20.046
25 HE1 TYR 4 1HE TYR 4 -16.669 -0.700 17.855
26 HE2 TYR 4 2HE TYR 4 -15.032 -3.645 20.468
27 HH TYR 4 HH TYR 4 -17.249 -3.038 20.343
28 H GLY 5 H GLY 5 -9.848 0.653 21.196
29 1HA GLY 5 1HA GLY 5 -7.615 0.904 21.312
30 2HA GLY 5 2HA GLY 5 -7.510 0.407 19.634
31 H ASN 6 H ASN 6 -6.787 1.903 18.180
32 HA ASN 6 HA ASN 6 -6.170 4.471 19.054
33 2HB ASN 6 2HB ASN 6 -6.315 4.397 16.166
34 1HD2 ASN 6 1HD2 ASN 6 -4.488 5.229 15.375
35 2HD2 ASN 6 2HD2 ASN 6 -3.049 5.556 16.281
36 H GLY 7 H GLY 7 -8.523 3.254 16.538
37 1HA GLY 7 1HA GLY 7 -10.530 5.150 17.348
38 2HA GLY 7 2HA GLY 7 -9.769 5.562 15.824
39 H VAL 8 H VAL 8 -9.333 3.230 14.494
40 HA VAL 8 HA VAL 8 -10.247 1.463 13.486
41 HB VAL 8 HB VAL 8 -11.501 1.402 15.978
42 1HG1 VAL 8 1HG1 VAL 8 -13.553 2.318 15.130
43 2HG1 VAL 8 2HG1 VAL 8 -13.540 1.207 13.740
44 3HG1 VAL 8 3HG1 VAL 8 -13.797 0.573 15.383
45 1HG2 VAL 8 1HG2 VAL 8 -10.360 -0.493 15.126
46 2HG2 VAL 8 2HG2 VAL 8 -12.067 -0.977 15.253
47 3HG2 VAL 8 3HG2 VAL 8 -11.379 -0.551 13.668
48 H TYR 9 H TYR 9 -12.733 3.928 14.446
49 HA TYR 9 HA TYR 9 -14.306 3.708 12.184
50 2HB TYR 9 2HB TYR 9 -14.797 4.974 14.311
51 HD1 TYR 9 1HD TYR 9 -13.253 7.730 12.372
52 HD2 TYR 9 2HD TYR 9 -13.112 5.414 15.967
53 HE1 TYR 9 1HE TYR 9 -11.618 9.391 13.388
54 HE2 TYR 9 2HE TYR 9 -11.478 7.084 16.970
55 HH TYR 9 HH TYR 9 -9.996 9.531 15.048
56 H CYS 10 H CYS 10 -11.387 5.751 12.803
57 HA CYS 10 HA CYS 10 -10.523 5.688 10.202
58 2HB CYS 10 2HB CYS 10 -11.539 8.442 10.475
59 H ASN 11 H ASN 11 -9.276 8.243 9.995
60 HA ASN 11 HA ASN 11 -7.839 8.308 12.532
61 2HB ASN 11 2HB ASN 11 -6.839 8.904 9.697
62 1HD2 ASN 11 1HD2 ASN 11 -4.511 9.104 9.590
63 2HD2 ASN 11 2HD2 ASN 11 -3.644 9.905 10.858
64 H ASN 12 H ASN 12 -8.152 10.333 9.509
65 HA ASN 12 HA ASN 12 -9.351 12.436 11.017
66 2HB ASN 12 2HB ASN 12 -7.258 13.326 11.520
67 1HD2 ASN 12 1HD2 ASN 12 -5.356 12.503 11.876
68 2HD2 ASN 12 2HD2 ASN 12 -4.336 11.671 10.751
69 H LYS 13 H LYS 13 -7.314 12.014 8.013
70 HA LYS 13 HA LYS 13 -9.491 13.197 6.469
71 2HB LYS 13 2HB LYS 13 -7.450 14.333 6.111
72 2HG LYS 13 2HG LYS 13 -6.297 11.629 6.393
73 2HD LYS 13 2HD LYS 13 -5.251 13.503 4.217
74 2HE LYS 13 2HE LYS 13 -3.861 11.014 4.267
75 1HZ LYS 13 1HZ LYS 13 -2.164 12.417 4.120
76 2HZ LYS 13 2HZ LYS 13 -3.285 13.598 4.005
77 3HZ LYS 13 3HZ LYS 13 -2.580 13.279 5.443
78 H LYS 14 H LYS 14 -7.550 10.231 6.918
79 HA LYS 14 HA LYS 14 -9.454 8.890 5.135
80 2HB LYS 14 2HB LYS 14 -7.487 9.085 3.815
81 2HG LYS 14 2HG LYS 14 -6.011 9.519 5.956
82 2HD LYS 14 2HD LYS 14 -4.881 6.834 5.709
83 2HE LYS 14 2HE LYS 14 -5.329 6.983 8.281
84 1HZ LYS 14 1HZ LYS 14 -3.367 7.926 6.766
85 2HZ LYS 14 2HZ LYS 14 -3.814 9.294 7.537
86 3HZ LYS 14 3HZ LYS 14 -3.361 7.983 8.399
87 H CYS 15 H CYS 15 -8.857 6.286 5.535
88 HA CYS 15 HA CYS 15 -9.125 6.045 8.441
89 2HB CYS 15 2HB CYS 15 -10.255 3.838 7.843
90 H TRP 16 H TRP 16 -8.724 3.254 6.306
91 HA TRP 16 HA TRP 16 -5.956 3.109 6.190
92 2HB TRP 16 2HB TRP 16 -5.360 2.703 8.284
93 HD1 TRP 16 HD TRP 16 -8.843 1.010 8.841
94 HE1 TRP 16 1HE TRP 16 -10.036 2.033 10.961
95 HE3 TRP 16 3HE TRP 16 -5.270 4.492 9.823
96 HZ2 TRP 16 2HZ TRP 16 -9.367 4.137 12.769
97 HZ3 TRP 16 3HZ TRP 16 -5.617 5.991 11.783
98 HH2 TRP 16 HH TRP 16 -7.580 5.856 13.233
99 H VAL 17 H VAL 17 -5.566 0.334 6.338
100 HA VAL 17 HA VAL 17 -7.783 -0.766 4.769
101 HB VAL 17 HB VAL 17 -4.899 -0.478 4.032
102 1HG1 VAL 17 1HG1 VAL 17 -6.530 -2.919 3.675
103 2HG1 VAL 17 2HG1 VAL 17 -5.747 -2.311 2.197
104 3HG1 VAL 17 3HG1 VAL 17 -4.764 -2.696 3.631
105 1HG2 VAL 17 1HG2 VAL 17 -7.008 -0.590 1.970
106 2HG2 VAL 17 2HG2 VAL 17 -7.194 0.726 3.155
107 3HG2 VAL 17 3HG2 VAL 17 -5.693 0.585 2.209
108 H ASN 18 H ASN 18 -4.540 -1.636 6.174
109 HA ASN 18 HA ASN 18 -5.830 -3.487 7.908
110 2HB ASN 18 2HB ASN 18 -3.720 -4.959 6.493
111 1HD2 ASN 18 1HD2 ASN 18 -6.084 -6.186 4.947
112 2HD2 ASN 18 2HD2 ASN 18 -6.887 -7.193 6.105
113 H ARG 19 H ARG 19 -4.710 -2.824 9.760
114 HA ARG 19 HA ARG 19 -2.161 -1.719 9.615
115 2HB ARG 19 2HB ARG 19 -3.285 -2.935 12.161
116 2HG ARG 19 2HG ARG 19 -1.352 -0.845 11.401
117 2HD ARG 19 2HD ARG 19 -3.536 0.450 12.107
118 HE ARG 19 HE ARG 19 -3.182 -1.158 14.436
119 1HH1 ARG 19 2HH2 ARG 19 -3.727 2.210 13.577
120 2HH1 ARG 19 1HH2 ARG 19 -4.541 2.589 15.058
121 1HH2 ARG 19 2HH1 ARG 19 -4.255 -0.660 16.390
122 2HH2 ARG 19 1HH1 ARG 19 -4.843 0.946 16.669
123 H GLY 20 H GLY 20 -3.422 -5.009 10.181
124 1HA GLY 20 1HA GLY 20 -1.453 -6.349 11.434
125 2HA GLY 20 2HA GLY 20 -2.348 -6.997 10.075
126 H GLU 21 H GLU 21 -1.534 -6.131 7.804
127 HA GLU 21 HA GLU 21 1.038 -7.041 7.501
128 2HB GLU 21 2HB GLU 21 -0.491 -7.070 5.637
129 2HG GLU 21 2HG GLU 21 -0.921 -4.259 6.429
130 HE2 GLU 21 HE2 GLU 21 0.411 -2.747 4.727
131 H ALA 22 H ALA 22 -0.226 -3.800 8.212
132 HA ALA 22 HA ALA 22 1.994 -2.302 7.440
133 1HB ALA 22 1HB ALA 22 -0.401 -1.599 8.161
134 2HB ALA 22 2HB ALA 22 0.237 -1.666 9.822
135 3HB ALA 22 3HB ALA 22 0.959 -0.552 8.635
136 H THR 23 H THR 23 1.108 -3.773 10.640
137 HA THR 23 HA THR 23 3.305 -2.927 12.065
138 HB THR 23 HB THR 23 1.349 -5.223 12.165
139 HG1 THR 23 1HG THR 23 0.848 -3.982 14.042
140 1HG2 THR 23 1HG2 THR 23 3.671 -6.114 12.919
141 2HG2 THR 23 2HG2 THR 23 3.596 -4.889 14.207
142 3HG2 THR 23 3HG2 THR 23 2.371 -6.179 14.133
143 H GLN 24 H GLN 24 3.012 -6.236 10.603
144 HA GLN 24 HA GLN 24 5.578 -6.955 10.995
145 2HB GLN 24 2HB GLN 24 3.925 -8.534 10.190
146 2HG GLN 24 2HG GLN 24 3.949 -6.878 7.622
147 1HE2 GLN 24 1HE2 GLN 24 3.357 -7.868 5.841
148 2HE2 GLN 24 2HE2 GLN 24 2.719 -9.472 5.704
149 H SER 25 H SER 25 4.242 -4.799 8.485
150 HA SER 25 HA SER 25 6.239 -4.814 6.670
151 2HB SER 25 2HB SER 25 5.261 -2.093 7.332
152 HG SER 25 HG SER 25 4.208 -2.975 5.058
153 H ILE 26 H ILE 26 8.040 -3.189 6.292
154 HA ILE 26 HA ILE 26 9.749 -3.130 8.519
155 HB ILE 26 HB ILE 26 11.142 -1.681 6.988
156 2HG1 ILE 26 2HG1 ILE 26 8.651 -1.472 5.600
157 1HG2 ILE 26 1HG2 ILE 26 11.916 -3.781 6.805
158 2HG2 ILE 26 2HG2 ILE 26 10.289 -4.480 6.617
159 3HG2 ILE 26 3HG2 ILE 26 11.110 -3.746 5.218
160 1HD1 ILE 26 1HD1 ILE 26 11.315 -0.529 4.524
161 2HD1 ILE 26 2HD1 ILE 26 9.743 0.306 4.523
162 3HD1 ILE 26 3HD1 ILE 26 10.678 0.171 6.032
163 H ILE 27 H ILE 27 7.540 -0.733 7.020
164 HA ILE 27 HA ILE 27 8.426 1.519 8.340
165 HB ILE 27 HB ILE 27 6.714 1.228 6.465
166 2HG1 ILE 27 2HG1 ILE 27 7.320 3.313 8.158
167 1HG2 ILE 27 1HG2 ILE 27 5.248 0.016 8.563
168 2HG2 ILE 27 2HG2 ILE 27 4.423 1.540 8.159
169 3HG2 ILE 27 3HG2 ILE 27 4.732 0.331 6.890
170 1HD1 ILE 27 1HD1 ILE 27 6.775 4.615 6.325
171 2HD1 ILE 27 2HD1 ILE 27 6.753 3.022 5.531
172 3HD1 ILE 27 3HD1 ILE 27 5.229 3.775 6.057
173 H GLY 28 H GLY 28 6.776 -1.332 9.550
174 1HA GLY 28 1HA GLY 28 5.352 -0.557 11.695
175 2HA GLY 28 2HA GLY 28 6.416 -1.950 11.698
176 H GLY 29 H GLY 29 8.946 -0.510 11.387
177 1HA GLY 29 1HA GLY 29 9.401 0.152 14.130
178 2HA GLY 29 2HA GLY 29 10.553 0.201 12.811
179 H MET 30 H MET 30 9.393 1.999 11.000
180 HA MET 30 HA MET 30 10.134 4.409 12.104
181 2HB MET 30 2HB MET 30 8.610 5.185 9.973
182 2HG MET 30 2HG MET 30 10.818 3.667 8.856
183 1HE MET 30 1HE MET 30 13.103 6.194 9.005
184 2HE MET 30 2HE MET 30 12.624 4.960 7.815
185 3HE MET 30 3HE MET 30 12.564 6.685 7.382
186 H ILE 31 H ILE 31 6.817 3.115 11.377
187 HA ILE 31 HA ILE 31 5.396 5.319 12.233
188 HB ILE 31 HB ILE 31 4.407 3.546 10.964
189 2HG1 ILE 31 2HG1 ILE 31 2.903 4.887 12.323
190 1HG2 ILE 31 1HG2 ILE 31 4.303 1.336 11.525
191 2HG2 ILE 31 2HG2 ILE 31 5.823 1.778 12.339
192 3HG2 ILE 31 3HG2 ILE 31 4.313 1.658 13.275
193 1HD1 ILE 31 1HD1 ILE 31 1.801 3.129 11.072
194 2HD1 ILE 31 2HD1 ILE 31 2.275 1.904 12.273
195 3HD1 ILE 31 3HD1 ILE 31 1.079 3.150 12.700
196 H SER 32 H SER 32 6.352 2.362 14.115
197 HA SER 32 HA SER 32 5.259 2.902 16.464
198 2HB SER 32 2HB SER 32 8.167 2.142 16.539
199 HG SER 32 HG SER 32 5.942 1.726 18.043
200 H GLY 33 H GLY 33 8.059 4.571 14.988
201 1HA GLY 33 1HA GLY 33 8.815 6.014 17.334
202 2HA GLY 33 2HA GLY 33 9.327 6.307 15.684
203 H TRP 34 H TRP 34 6.807 6.712 14.398
204 HA TRP 34 HA TRP 34 6.386 9.408 14.926
205 2HB TRP 34 2HB TRP 34 4.451 7.530 13.569
206 HD1 TRP 34 HD TRP 34 5.876 11.179 13.433
207 HE1 TRP 34 1HE TRP 34 4.039 12.847 12.536
208 HE3 TRP 34 3HE TRP 34 2.315 7.644 12.610
209 HZ2 TRP 34 2HZ TRP 34 1.363 12.511 11.605
210 HZ3 TRP 34 3HZ TRP 34 0.118 8.398 11.707
211 HH2 TRP 34 HH TRP 34 -0.385 10.737 11.206
212 H ALA 35 H ALA 35 4.307 6.510 15.669
213 HA ALA 35 HA ALA 35 2.414 7.910 17.147
214 1HB ALA 35 1HB ALA 35 2.297 5.557 16.178
215 2HB ALA 35 2HB ALA 35 3.273 5.025 17.568
216 3HB ALA 35 3HB ALA 35 1.663 5.738 17.830
217 H SER 36 H SER 36 5.579 6.466 18.029
218 HA SER 36 HA SER 36 5.275 6.606 20.759
219 2HB SER 36 2HB SER 36 7.726 6.803 18.968
220 HG SER 36 HG SER 36 8.876 6.183 20.989
221 H GLY 37 H GLY 37 6.206 9.070 18.325
222 1HA GLY 37 1HA GLY 37 7.083 11.036 20.185
223 2HA GLY 37 2HA GLY 37 6.663 11.271 18.499
224 H LEU 38 H LEU 38 3.991 10.498 18.345
225 HA LEU 38 HA LEU 38 2.695 12.751 19.340
226 2HB LEU 38 2HB LEU 38 0.682 11.729 18.513
227 HG LEU 38 HG LEU 38 3.126 11.370 16.821
228 1HD1 LEU 38 1HD1 LEU 38 2.164 9.551 15.872
229 2HD1 LEU 38 2HD1 LEU 38 0.522 10.004 16.389
230 3HD1 LEU 38 3HD1 LEU 38 1.263 10.802 14.981
231 1HD2 LEU 38 1HD2 LEU 38 2.554 13.489 16.418
232 2HD2 LEU 38 2HD2 LEU 38 1.238 12.817 15.425
233 3HD2 LEU 38 3HD2 LEU 38 0.930 13.280 17.117
234 H ALA 39 H ALA 39 2.674 9.308 20.478
235 HA ALA 39 HA ALA 39 0.979 9.817 22.658
236 1HB ALA 39 1HB ALA 39 2.140 7.612 21.401
237 2HB ALA 39 2HB ALA 39 2.890 7.621 23.017
238 3HB ALA 39 3HB ALA 39 1.117 7.574 22.858
239 H GLY 40 H GLY 40 4.424 10.323 22.062
240 1HA GLY 40 1HA GLY 40 5.158 10.488 24.837
241 2HA GLY 40 2HA GLY 40 6.130 10.909 23.441
242 H MET 41 H MET 41 3.011 12.064 24.930
243 HA MET 41 HA MET 41 2.244 14.061 25.323
244 2HB MET 41 2HB MET 41 4.215 15.798 25.971
245 2HG MET 41 2HG MET 41 4.529 14.368 28.165
246 1HE MET 41 1HE MET 41 1.328 13.297 28.197
247 2HE MET 41 2HE MET 41 0.224 14.638 28.585
248 3HE MET 41 3HE MET 41 0.611 14.267 26.888