Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
489230 | 2kq0 RC | 16575 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PHE 12 H PHE 12 10.212 -5.160 -2.449
2 HA PHE 12 HA PHE 12 11.135 -5.440 0.341
3 HB2 PHE 12 HB2 PHE 12 13.080 -5.328 -1.133
4 HB3 PHE 12 HB1 PHE 12 12.400 -3.934 -1.964
5 HD1 PHE 12 HD2 PHE 12 13.148 -4.941 1.557
6 HD2 PHE 12 HD1 PHE 12 13.333 -1.922 -1.435
7 HE1 PHE 12 HE2 PHE 12 14.280 -3.442 3.145
8 HE2 PHE 12 HE1 PHE 12 14.467 -0.418 0.148
9 HZ PHE 12 HZ PHE 12 14.941 -1.177 2.441
10 H LEU 13 HN LEU 13 9.763 -4.287 1.528
11 HA LEU 13 HA LEU 13 9.169 -1.565 0.792
12 HB2 LEU 13 HB2 LEU 13 6.760 -1.756 0.912
13 HB3 LEU 13 HB1 LEU 13 7.383 -2.763 -0.379
14 HG LEU 13 HG LEU 13 6.519 -3.807 2.328
15 HD11 LEU 13 HD11 LEU 13 4.647 -2.818 1.111
16 HD12 LEU 13 HD12 LEU 13 4.511 -4.576 1.185
17 HD13 LEU 13 HD13 LEU 13 5.048 -3.795 -0.302
18 HD21 LEU 13 HD21 LEU 13 8.124 -5.254 1.165
19 HD22 LEU 13 HD22 LEU 13 7.086 -5.249 -0.261
20 HD23 LEU 13 HD23 LEU 13 6.520 -5.984 1.238
21 HA PRO 14 HA PRO 14 9.303 -0.395 5.046
22 HB2 PRO 14 HB2 PRO 14 6.435 0.278 4.452
23 HB3 PRO 14 HB1 PRO 14 7.607 1.186 5.411
24 HG2 PRO 14 HG2 PRO 14 7.153 1.869 2.901
25 HG3 PRO 14 HG1 PRO 14 8.809 1.861 3.534
26 HD2 PRO 14 HD2 PRO 14 7.520 0.011 1.625
27 HD3 PRO 14 HD1 PRO 14 9.236 0.396 1.839
28 H LYS 15 HN LYS 15 8.999 -1.307 6.945
29 HA LYS 15 HA LYS 15 7.831 -3.824 7.271
30 HB2 LYS 15 HB2 LYS 15 9.648 -2.864 8.666
31 HB3 LYS 15 HB1 LYS 15 8.487 -1.762 9.389
32 HG2 LYS 15 HG2 LYS 15 8.874 -3.569 10.897
33 HG3 LYS 15 HG1 LYS 15 7.241 -3.723 10.250
34 HD2 LYS 15 HD2 LYS 15 7.884 -5.486 8.800
35 HD3 LYS 15 HD1 LYS 15 9.600 -5.195 9.094
36 HE2 LYS 15 HE2 LYS 15 7.589 -6.202 11.106
37 HE3 LYS 15 HE1 LYS 15 8.830 -7.165 10.305
38 HZ1 LYS 15 HZ1 LYS 15 9.708 -6.633 12.397
39 HZ2 LYS 15 HZ2 LYS 15 9.196 -5.022 12.315
40 HZ3 LYS 15 HZ3 LYS 15 10.473 -5.553 11.336
41 H GLY 16 HN GLY 16 5.741 -4.341 7.316
42 HA2 GLY 16 HA2 GLY 16 3.687 -4.204 8.643
43 HA3 GLY 16 HA1 GLY 16 3.868 -2.456 8.604
44 H TRP 17 HN TRP 17 4.760 -2.769 5.706
45 HA TRP 17 HA TRP 17 2.061 -2.517 4.661
46 HB2 TRP 17 HB2 TRP 17 4.758 -1.836 3.502
47 HB3 TRP 17 HB1 TRP 17 3.261 -1.694 2.592
48 HD1 TRP 17 HD1 TRP 17 5.039 -0.206 5.641
49 HE1 TRP 17 HE1 TRP 17 4.123 2.154 6.060
50 HE3 TRP 17 HE3 TRP 17 1.194 -0.168 2.195
51 HZ2 TRP 17 HZ2 TRP 17 2.088 3.821 5.065
52 HZ3 TRP 17 HZ3 TRP 17 -0.135 1.860 2.000
53 HH2 TRP 17 HH2 TRP 17 0.275 3.810 3.413
54 H GLU 18 HN GLU 18 1.147 -3.771 3.281
55 HA GLU 18 HA GLU 18 2.422 -6.271 2.445
56 HB2 GLU 18 HB2 GLU 18 0.275 -6.321 3.696
57 HB3 GLU 18 HB1 GLU 18 -0.461 -5.344 2.442
58 HG2 GLU 18 HG2 GLU 18 0.399 -7.369 0.940
59 HG3 GLU 18 HG1 GLU 18 0.202 -8.196 2.478
60 H VAL 19 HN VAL 19 2.579 -6.773 0.213
61 HA VAL 19 HA VAL 19 1.672 -4.632 -1.588
62 HB VAL 19 HB VAL 19 4.126 -5.210 -1.671
63 HG11 VAL 19 HG11 VAL 19 4.841 -7.186 -2.883
64 HG12 VAL 19 HG12 VAL 19 3.170 -7.734 -3.012
65 HG13 VAL 19 HG13 VAL 19 3.949 -7.642 -1.430
66 HG21 VAL 19 HG21 VAL 19 2.532 -5.556 -4.206
67 HG22 VAL 19 HG22 VAL 19 4.243 -5.135 -4.119
68 HG23 VAL 19 HG23 VAL 19 3.030 -4.026 -3.480
69 H ARG 20 HN ARG 20 -0.094 -4.987 -2.684
70 HA ARG 20 HA ARG 20 -0.863 -7.770 -3.277
71 HB2 ARG 20 HB2 ARG 20 -2.204 -6.606 -1.455
72 HB3 ARG 20 HB1 ARG 20 -2.785 -5.513 -2.701
73 HG2 ARG 20 HG2 ARG 20 -3.817 -7.357 -3.883
74 HG3 ARG 20 HG1 ARG 20 -3.172 -8.501 -2.702
75 HD2 ARG 20 HD2 ARG 20 -5.166 -6.297 -2.186
76 HD3 ARG 20 HD1 ARG 20 -5.491 -8.029 -2.202
77 HE ARG 20 HE ARG 20 -3.467 -7.393 -0.300
78 HH11 ARG 20 HH11 ARG 20 -6.935 -7.250 -0.811
79 HH12 ARG 20 HH12 ARG 20 -7.314 -7.306 0.880
80 HH21 ARG 20 HH21 ARG 20 -3.957 -7.453 1.921
81 HH22 ARG 20 HH22 ARG 20 -5.634 -7.424 2.435
82 H HIS 21 HN HIS 21 -1.427 -8.171 -5.366
83 HA HIS 21 HA HIS 21 -1.053 -5.934 -7.203
84 HB2 HIS 21 HB2 HIS 21 0.018 -8.363 -7.331
85 HB3 HIS 21 HB1 HIS 21 -1.479 -8.712 -8.193
86 HD1 HIS 21 HD1 HIS 21 -1.645 -7.928 -10.588
87 HD2 HIS 21 HD2 HIS 21 1.656 -6.371 -8.577
88 HE1 HIS 21 HE1 HIS 21 -0.290 -6.709 -12.334
89 HE2 HIS 21 HE2 HIS 21 1.726 -5.811 -11.110
90 H ALA 22 HN ALA 22 -2.760 -4.851 -7.860
91 HA ALA 22 HA ALA 22 -5.416 -6.066 -7.727
92 HB1 ALA 22 HB1 ALA 22 -4.595 -3.206 -8.243
93 HB2 ALA 22 HB2 ALA 22 -5.074 -3.871 -6.682
94 HB3 ALA 22 HB3 ALA 22 -6.241 -3.782 -8.000
95 HA PRO 23 HA PRO 23 -6.002 -6.503 -12.116
96 HB2 PRO 23 HB2 PRO 23 -8.543 -5.006 -11.937
97 HB3 PRO 23 HB1 PRO 23 -8.253 -6.672 -12.444
98 HG2 PRO 23 HG2 PRO 23 -9.408 -6.129 -10.096
99 HG3 PRO 23 HG1 PRO 23 -8.270 -7.478 -10.274
100 HD2 PRO 23 HD2 PRO 23 -7.810 -4.757 -9.105
101 HD3 PRO 23 HD1 PRO 23 -7.255 -6.342 -8.523
102 H ASN 24 HN ASN 24 -5.619 -3.541 -10.669
103 HA ASN 24 HA ASN 24 -5.917 -1.805 -12.910
104 HB2 ASN 24 HB2 ASN 24 -4.521 -1.512 -10.266
105 HB3 ASN 24 HB1 ASN 24 -4.546 -0.235 -11.478
106 HD21 ASN 24 HD21 ASN 24 -5.671 1.172 -10.191
107 HD22 ASN 24 HD22 ASN 24 -7.340 0.961 -9.794
108 H GLY 25 HN GLY 25 -3.980 -4.310 -12.740
109 HA2 GLY 25 HA2 GLY 25 -1.880 -4.889 -13.480
110 HA3 GLY 25 HA1 GLY 25 -1.933 -3.415 -14.451
111 H ARG 26 HN ARG 26 -2.319 -3.495 -11.017
112 HA ARG 26 HA ARG 26 0.189 -2.026 -10.679
113 HB2 ARG 26 HB2 ARG 26 -1.575 -0.372 -11.093
114 HB3 ARG 26 HB1 ARG 26 -2.566 -1.064 -9.821
115 HG2 ARG 26 HG2 ARG 26 -1.522 0.888 -8.963
116 HG3 ARG 26 HG1 ARG 26 -0.653 -0.482 -8.258
117 HD2 ARG 26 HD2 ARG 26 1.084 -0.268 -9.935
118 HD3 ARG 26 HD1 ARG 26 0.210 1.057 -10.698
119 HE ARG 26 HE ARG 26 0.704 1.685 -7.994
120 HH11 ARG 26 HH11 ARG 26 2.297 1.320 -11.082
121 HH12 ARG 26 HH12 ARG 26 3.610 2.390 -10.706
122 HH21 ARG 26 HH21 ARG 26 2.448 3.145 -7.477
123 HH22 ARG 26 HH22 ARG 26 3.673 3.465 -8.676
124 HA PRO 27 HA PRO 27 -0.132 -4.127 -6.696
125 HB2 PRO 27 HB2 PRO 27 2.515 -3.461 -6.040
126 HB3 PRO 27 HB1 PRO 27 1.976 -4.977 -6.751
127 HG2 PRO 27 HG2 PRO 27 3.602 -3.014 -7.963
128 HG3 PRO 27 HG1 PRO 27 2.889 -4.434 -8.743
129 HD2 PRO 27 HD2 PRO 27 2.005 -1.604 -8.796
130 HD3 PRO 27 HD1 PRO 27 1.758 -2.899 -9.990
131 H PHE 28 HN PHE 28 -1.283 -2.905 -5.306
132 HA PHE 28 HA PHE 28 -0.316 -0.224 -4.664
133 HB2 PHE 28 HB2 PHE 28 -2.496 0.136 -3.586
134 HB3 PHE 28 HB1 PHE 28 -2.674 -0.347 -5.261
135 HD1 PHE 28 HD1 PHE 28 -2.788 -3.127 -5.400
136 HD2 PHE 28 HD2 PHE 28 -4.132 -0.635 -2.224
137 HE1 PHE 28 HE1 PHE 28 -4.401 -4.856 -4.730
138 HE2 PHE 28 HE2 PHE 28 -5.734 -2.368 -1.536
139 HZ PHE 28 HZ PHE 28 -5.870 -4.486 -2.787
140 H PHE 29 HN PHE 29 0.262 0.368 -2.605
141 HA PHE 29 HA PHE 29 1.257 -1.825 -0.970
142 HB2 PHE 29 HB2 PHE 29 1.755 1.150 -0.839
143 HB3 PHE 29 HB1 PHE 29 2.591 -0.062 0.127
144 HD1 PHE 29 HD2 PHE 29 4.126 -1.657 -0.978
145 HD2 PHE 29 HD1 PHE 29 2.315 1.556 -3.098
146 HE1 PHE 29 HE2 PHE 29 5.752 -1.953 -2.800
147 HE2 PHE 29 HE1 PHE 29 3.937 1.264 -4.930
148 HZ PHE 29 HZ PHE 29 5.655 -0.495 -4.782
149 H ILE 30 HN ILE 30 0.494 -2.326 1.051
150 HA ILE 30 HA ILE 30 -1.458 -0.479 2.154
151 HB ILE 30 HB ILE 30 -2.941 -2.567 2.609
152 HG12 ILE 30 HG12 ILE 30 -0.858 -3.743 1.087
153 HG13 ILE 30 HG11 ILE 30 -2.297 -4.503 1.754
154 HG21 ILE 30 HG21 ILE 30 -3.647 -0.704 1.231
155 HG22 ILE 30 HG22 ILE 30 -4.125 -2.225 0.477
156 HG23 ILE 30 HG23 ILE 30 -2.731 -1.337 -0.137
157 HD11 ILE 30 HD11 ILE 30 -2.071 -4.946 -0.619
158 HD12 ILE 30 HD12 ILE 30 -2.092 -3.215 -0.957
159 HD13 ILE 30 HD13 ILE 30 -3.520 -4.001 -0.283
160 H ASP 31 HN ASP 31 -0.942 -0.043 4.131
161 HA ASP 31 HA ASP 31 0.412 -2.015 5.793
162 HB2 ASP 31 HB2 ASP 31 1.352 0.181 5.898
163 HB3 ASP 31 HB1 ASP 31 -0.228 0.905 6.191
164 H HIS 32 HN HIS 32 -0.486 -3.109 7.380
165 HA HIS 32 HA HIS 32 -3.377 -2.916 7.664
166 HB2 HIS 32 HB2 HIS 32 -1.376 -4.984 8.576
167 HB3 HIS 32 HB1 HIS 32 -3.078 -5.043 9.014
168 HD1 HIS 32 HD1 HIS 32 -4.642 -6.081 7.366
169 HD2 HIS 32 HD2 HIS 32 -0.902 -5.292 5.726
170 HE1 HIS 32 HE1 HIS 32 -4.656 -7.155 5.090
171 HE2 HIS 32 HE2 HIS 32 -2.371 -6.718 4.130
172 H ASN 33 HN ASN 33 -0.596 -1.866 9.368
173 HA ASN 33 HA ASN 33 -1.909 -2.186 11.957
174 HB2 ASN 33 HB2 ASN 33 0.132 -2.088 12.959
175 HB3 ASN 33 HB1 ASN 33 0.646 -2.615 11.365
176 HD21 ASN 33 HD21 ASN 33 1.691 -1.136 9.997
177 HD22 ASN 33 HD22 ASN 33 2.417 0.305 10.622
178 H THR 34 HN THR 34 -1.332 0.301 9.631
179 HA THR 34 HA THR 34 -2.405 2.246 11.576
180 HB THR 34 HB THR 34 -1.035 3.069 9.030
181 HG1 THR 34 HG1 THR 34 0.501 1.796 10.022
182 HG21 THR 34 HG21 THR 34 -1.327 4.370 11.742
183 HG22 THR 34 HG22 THR 34 -2.249 4.776 10.293
184 HG23 THR 34 HG23 THR 34 -0.511 5.076 10.348
185 H LYS 35 HN LYS 35 -3.305 0.335 9.057
186 HA LYS 35 HA LYS 35 -4.951 0.273 7.524
187 HB2 LYS 35 HB2 LYS 35 -6.209 2.463 9.183
188 HB3 LYS 35 HB1 LYS 35 -7.033 1.445 8.013
189 HG2 LYS 35 HG2 LYS 35 -5.773 0.528 10.591
190 HG3 LYS 35 HG1 LYS 35 -7.499 0.715 10.275
191 HD2 LYS 35 HD2 LYS 35 -7.323 -1.001 8.503
192 HD3 LYS 35 HD1 LYS 35 -5.621 -1.215 8.918
193 HE2 LYS 35 HE2 LYS 35 -7.941 -1.654 10.791
194 HE3 LYS 35 HE1 LYS 35 -7.066 -2.926 9.940
195 HZ1 LYS 35 HZ1 LYS 35 -6.283 -2.692 12.205
196 HZ2 LYS 35 HZ2 LYS 35 -5.901 -1.060 11.944
197 HZ3 LYS 35 HZ3 LYS 35 -5.051 -2.271 11.120
198 H THR 36 HN THR 36 -3.316 1.156 6.025
199 HA THR 36 HA THR 36 -4.332 3.585 4.778
200 HB THR 36 HB THR 36 -1.855 4.300 4.436
201 HG1 THR 36 HG1 THR 36 -1.648 2.759 6.825
202 HG21 THR 36 HG21 THR 36 -3.472 5.630 5.695
203 HG22 THR 36 HG22 THR 36 -1.894 5.653 6.481
204 HG23 THR 36 HG23 THR 36 -3.184 4.639 7.125
205 H THR 37 HN THR 37 -3.845 3.776 2.577
206 HA THR 37 HA THR 37 -2.400 1.541 1.350
207 HB THR 37 HB THR 37 -4.810 1.097 1.095
208 HG1 THR 37 HG1 THR 37 -3.306 0.579 -0.631
209 HG21 THR 37 HG21 THR 37 -4.871 3.743 -0.355
210 HG22 THR 37 HG22 THR 37 -5.648 3.382 1.186
211 HG23 THR 37 HG23 THR 37 -6.197 2.582 -0.287
212 H THR 38 HN THR 38 -1.342 2.042 -0.597
213 HA THR 38 HA THR 38 -1.240 4.844 -1.432
214 HB THR 38 HB THR 38 1.277 4.753 -1.386
215 HG1 THR 38 HG1 THR 38 0.651 2.326 -0.098
216 HG21 THR 38 HG21 THR 38 0.025 5.953 0.363
217 HG22 THR 38 HG22 THR 38 1.506 5.228 0.991
218 HG23 THR 38 HG23 THR 38 -0.051 4.463 1.306
219 H TRP 39 HN TRP 39 -0.518 5.103 -3.599
220 HA TRP 39 HA TRP 39 -0.162 2.600 -5.072
221 HB2 TRP 39 HB2 TRP 39 -0.463 5.426 -6.108
222 HB3 TRP 39 HB1 TRP 39 -0.287 3.995 -7.117
223 HD1 TRP 39 HD1 TRP 39 -2.820 6.024 -5.265
224 HE1 TRP 39 HE1 TRP 39 -5.157 5.001 -5.574
225 HE3 TRP 39 HE3 TRP 39 -1.479 1.522 -7.394
226 HZ2 TRP 39 HZ2 TRP 39 -6.292 2.633 -6.558
227 HZ3 TRP 39 HZ3 TRP 39 -3.290 -0.048 -7.963
228 HH2 TRP 39 HH2 TRP 39 -5.633 0.492 -7.559
229 H GLU 40 HN GLU 40 1.482 5.540 -4.163
230 HA GLU 40 HA GLU 40 3.950 4.693 -5.443
231 HB2 GLU 40 HB2 GLU 40 4.882 6.767 -4.377
232 HB3 GLU 40 HB1 GLU 40 3.549 7.058 -5.484
233 HG2 GLU 40 HG2 GLU 40 2.924 6.742 -2.598
234 HG3 GLU 40 HG1 GLU 40 3.704 8.233 -3.124
235 H ASP 41 HN ASP 41 5.713 3.899 -4.383
236 HA ASP 41 HA ASP 41 5.394 2.330 -2.120
237 HB2 ASP 41 HB2 ASP 41 7.246 2.221 -3.847
238 HB3 ASP 41 HB1 ASP 41 8.010 3.561 -3.001
239 HA PRO 42 HA PRO 42 5.041 5.401 1.084
240 HB2 PRO 42 HB2 PRO 42 5.605 3.621 3.148
241 HB3 PRO 42 HB1 PRO 42 4.009 3.955 2.472
242 HG2 PRO 42 HG2 PRO 42 5.884 1.711 1.894
243 HG3 PRO 42 HG1 PRO 42 4.115 1.704 2.001
244 HD2 PRO 42 HD2 PRO 42 5.361 1.632 -0.358
245 HD3 PRO 42 HD1 PRO 42 3.854 2.544 -0.141
246 H ARG 43 HN ARG 43 7.947 3.664 0.374
247 HA ARG 43 HA ARG 43 9.572 4.864 2.383
248 HB2 ARG 43 HB2 ARG 43 10.242 3.752 -0.342
249 HB3 ARG 43 HB1 ARG 43 11.459 4.392 0.754
250 HG2 ARG 43 HG2 ARG 43 10.974 2.698 2.376
251 HG3 ARG 43 HG1 ARG 43 9.592 2.137 1.436
252 HD2 ARG 43 HD2 ARG 43 12.424 2.110 0.411
253 HD3 ARG 43 HD1 ARG 43 11.663 0.738 1.218
254 HE ARG 43 HE ARG 43 9.884 1.231 -0.699
255 HH11 ARG 43 HH11 ARG 43 13.384 1.130 -0.911
256 HH12 ARG 43 HH12 ARG 43 13.400 0.518 -2.535
257 HH21 ARG 43 HH21 ARG 43 9.884 0.410 -2.806
258 HH22 ARG 43 HH22 ARG 43 11.398 0.085 -3.617
259 H LEU 44 HN LEU 44 8.363 5.882 -0.719
260 HA LEU 44 HA LEU 44 10.008 8.249 -0.826
261 HB2 LEU 44 HB2 LEU 44 7.723 7.265 -2.518
262 HB3 LEU 44 HB1 LEU 44 8.424 8.855 -2.738
263 HG LEU 44 HG LEU 44 9.382 7.382 -4.364
264 HD11 LEU 44 HD11 LEU 44 11.764 7.531 -3.812
265 HD12 LEU 44 HD12 LEU 44 11.346 7.890 -2.137
266 HD13 LEU 44 HD13 LEU 44 10.899 9.016 -3.418
267 HD21 LEU 44 HD21 LEU 44 8.932 5.252 -3.266
268 HD22 LEU 44 HD22 LEU 44 10.185 5.593 -2.072
269 HD23 LEU 44 HD23 LEU 44 10.619 5.368 -3.768
270 H LYS 45 HN LYS 45 6.878 7.382 0.400
271 HA LYS 45 HA LYS 45 6.560 10.160 1.307
272 HB2 LYS 45 HB2 LYS 45 4.390 8.342 0.259
273 HB3 LYS 45 HB1 LYS 45 4.055 9.778 1.212
274 HG2 LYS 45 HG2 LYS 45 5.313 11.085 -0.544
275 HG3 LYS 45 HG1 LYS 45 5.276 9.618 -1.526
276 HD2 LYS 45 HD2 LYS 45 2.850 9.595 -1.453
277 HD3 LYS 45 HD1 LYS 45 2.847 11.000 -0.388
278 HE2 LYS 45 HE2 LYS 45 2.367 11.822 -2.543
279 HE3 LYS 45 HE1 LYS 45 4.050 12.241 -2.229
280 HZ1 LYS 45 HZ1 LYS 45 3.020 10.050 -3.944
281 HZ2 LYS 45 HZ2 LYS 45 4.654 10.192 -3.498
282 HZ3 LYS 45 HZ3 LYS 45 3.921 11.409 -4.421
283 H ILE 46 HN ILE 46 7.273 9.867 3.349
284 HA ILE 46 HA ILE 46 5.949 7.803 4.955
285 HB ILE 46 HB ILE 46 8.306 7.524 5.082
286 HG12 ILE 46 HG12 ILE 46 7.424 8.995 7.575
287 HG13 ILE 46 HG11 ILE 46 7.063 7.311 7.209
288 HG21 ILE 46 HG21 ILE 46 8.523 10.448 5.782
289 HG22 ILE 46 HG22 ILE 46 9.017 9.695 4.266
290 HG23 ILE 46 HG23 ILE 46 9.856 9.294 5.765
291 HD11 ILE 46 HD11 ILE 46 8.900 7.510 8.786
292 HD12 ILE 46 HD12 ILE 46 9.807 8.472 7.619
293 HD13 ILE 46 HD13 ILE 46 9.440 6.783 7.271
294 H THR 112 H THR 112 -4.820 3.498 -10.625
295 HA THR 112 HA THR 112 -5.292 5.781 -10.140
296 HB THR 112 HB THR 112 -7.334 6.777 -11.333
297 HG1 THR 112 HG1 THR 112 -7.898 5.903 -13.279
298 HG21 THR 112 HG21 THR 112 -5.070 7.600 -11.707
299 HG22 THR 112 HG22 THR 112 -5.986 7.596 -13.214
300 HG23 THR 112 HG23 THR 112 -4.794 6.333 -12.902
301 H ALA 113 HN ALA 113 -7.406 6.538 -9.067
302 HA ALA 113 HA ALA 113 -9.239 6.222 -7.780
303 HB1 ALA 113 HB1 ALA 113 -9.538 3.544 -9.126
304 HB2 ALA 113 HB2 ALA 113 -10.250 5.056 -9.684
305 HB3 ALA 113 HB3 ALA 113 -10.749 4.364 -8.141
306 HA PRO 114 HA PRO 114 -6.760 4.054 -4.688
307 HB2 PRO 114 HB2 PRO 114 -7.355 5.714 -2.653
308 HB3 PRO 114 HB1 PRO 114 -6.172 6.142 -3.895
309 HG2 PRO 114 HG2 PRO 114 -9.034 6.978 -3.638
310 HG3 PRO 114 HG1 PRO 114 -7.617 7.954 -4.070
311 HD2 PRO 114 HD2 PRO 114 -9.372 6.960 -5.908
312 HD3 PRO 114 HD1 PRO 114 -7.660 7.271 -6.260
313 HA PRO 115 HA PRO 115 -10.267 1.810 -3.021
314 HB2 PRO 115 HB2 PRO 115 -8.374 0.064 -1.723
315 HB3 PRO 115 HB1 PRO 115 -9.362 -0.263 -3.144
316 HG2 PRO 115 HG2 PRO 115 -6.638 -0.032 -3.190
317 HG3 PRO 115 HG1 PRO 115 -7.681 0.270 -4.589
318 HD2 PRO 115 HD2 PRO 115 -6.398 2.219 -2.715
319 HD3 PRO 115 HD1 PRO 115 -6.622 2.323 -4.476
320 H GLU 116 HN GLU 116 -11.357 2.137 -1.152
321 HA GLU 116 HA GLU 116 -10.203 3.435 1.091
322 HB2 GLU 116 HB2 GLU 116 -12.630 1.709 1.392
323 HB3 GLU 116 HB1 GLU 116 -12.270 3.245 2.152
324 HG2 GLU 116 HG2 GLU 116 -13.934 3.832 0.694
325 HG3 GLU 116 HG1 GLU 116 -12.492 4.199 -0.251
326 H TYR 117 HN TYR 117 -9.424 2.576 3.026
327 HA TYR 117 HA TYR 117 -8.624 -0.226 2.666
328 HB2 TYR 117 HB2 TYR 117 -6.800 1.510 2.739
329 HB3 TYR 117 HB1 TYR 117 -7.233 1.790 4.426
330 HD1 TYR 117 HD1 TYR 117 -5.877 -0.658 2.052
331 HD2 TYR 117 HD2 TYR 117 -6.655 0.204 6.138
332 HE1 TYR 117 HE1 TYR 117 -4.503 -2.577 2.715
333 HE2 TYR 117 HE2 TYR 117 -5.268 -1.715 6.806
334 HH TYR 117 HH TYR 117 -3.233 -3.346 4.617
335 H MET 118 HN MET 118 -9.442 -1.692 3.933
336 HA MET 118 HA MET 118 -9.161 -1.381 6.748
337 HB2 MET 118 HB2 MET 118 -11.418 -0.404 6.398
338 HB3 MET 118 HB1 MET 118 -11.956 -1.936 5.724
339 HG2 MET 118 HG2 MET 118 -12.606 -1.654 8.069
340 HG3 MET 118 HG1 MET 118 -11.547 -3.043 7.826
341 HE1 MET 118 HE1 MET 118 -10.584 -1.681 11.403
342 HE2 MET 118 HE2 MET 118 -11.138 -3.086 10.492
343 HE3 MET 118 HE3 MET 118 -12.185 -1.676 10.659
344 H GLU 119 HN GLU 119 -7.802 -3.008 6.615
345 HA GLU 119 HA GLU 119 -8.826 -5.636 5.778
346 HB2 GLU 119 HB2 GLU 119 -6.174 -4.342 5.189
347 HB3 GLU 119 HB1 GLU 119 -6.362 -6.088 5.158
348 HG2 GLU 119 HG2 GLU 119 -8.166 -4.331 3.547
349 HG3 GLU 119 HG1 GLU 119 -6.557 -4.761 2.964
350 H ALA 120 HN ALA 120 -9.053 -6.767 7.578
351 HA ALA 120 HA ALA 120 -6.919 -6.625 9.602
352 HB1 ALA 120 HB1 ALA 120 -9.858 -7.150 10.065
353 HB2 ALA 120 HB2 ALA 120 -9.010 -5.646 10.424
354 HB3 ALA 120 HB3 ALA 120 -8.599 -7.119 11.301
Start of MODEL 2
1 H PHE 12 H PHE 12 11.671 -4.970 1.314
2 HA PHE 12 HA PHE 12 13.533 -3.212 2.785
3 HB2 PHE 12 HB2 PHE 12 13.782 -2.170 0.458
4 HB3 PHE 12 HB1 PHE 12 14.580 -3.711 0.744
5 HD1 PHE 12 HD1 PHE 12 11.471 -2.244 -0.687
6 HD2 PHE 12 HD2 PHE 12 14.229 -5.483 -0.694
7 HE1 PHE 12 HE1 PHE 12 10.347 -3.193 -2.657
8 HE2 PHE 12 HE2 PHE 12 13.107 -6.439 -2.664
9 HZ PHE 12 HZ PHE 12 11.163 -5.294 -3.646
10 H LEU 13 HN LEU 13 10.306 -3.710 1.772
11 HA LEU 13 HA LEU 13 9.673 -0.889 1.764
12 HB2 LEU 13 HB2 LEU 13 7.260 -1.788 1.802
13 HB3 LEU 13 HB1 LEU 13 8.228 -2.015 0.348
14 HG LEU 13 HG LEU 13 8.731 -4.370 1.313
15 HD11 LEU 13 HD11 LEU 13 6.231 -3.698 2.851
16 HD12 LEU 13 HD12 LEU 13 7.830 -3.963 3.548
17 HD13 LEU 13 HD13 LEU 13 6.991 -5.285 2.737
18 HD21 LEU 13 HD21 LEU 13 6.710 -5.262 0.284
19 HD22 LEU 13 HD22 LEU 13 7.383 -3.944 -0.676
20 HD23 LEU 13 HD23 LEU 13 5.969 -3.663 0.338
21 HA PRO 14 HA PRO 14 8.792 0.054 6.008
22 HB2 PRO 14 HB2 PRO 14 6.102 0.531 4.760
23 HB3 PRO 14 HB1 PRO 14 6.922 1.492 5.995
24 HG2 PRO 14 HG2 PRO 14 7.018 2.306 3.515
25 HG3 PRO 14 HG1 PRO 14 8.530 2.267 4.448
26 HD2 PRO 14 HD2 PRO 14 7.565 0.395 2.330
27 HD3 PRO 14 HD1 PRO 14 9.209 0.953 2.674
28 H LYS 15 HN LYS 15 8.103 -1.091 7.736
29 HA LYS 15 HA LYS 15 7.248 -3.770 7.175
30 HB2 LYS 15 HB2 LYS 15 7.915 -2.391 9.777
31 HB3 LYS 15 HB1 LYS 15 7.602 -4.113 9.612
32 HG2 LYS 15 HG2 LYS 15 9.854 -2.572 8.337
33 HG3 LYS 15 HG1 LYS 15 9.977 -3.713 9.679
34 HD2 LYS 15 HD2 LYS 15 9.161 -5.505 8.204
35 HD3 LYS 15 HD1 LYS 15 9.100 -4.359 6.865
36 HE2 LYS 15 HE2 LYS 15 11.124 -5.682 6.740
37 HE3 LYS 15 HE1 LYS 15 11.520 -4.000 7.088
38 HZ1 LYS 15 HZ1 LYS 15 11.324 -6.124 9.154
39 HZ2 LYS 15 HZ2 LYS 15 11.893 -4.542 9.366
40 HZ3 LYS 15 HZ3 LYS 15 12.777 -5.638 8.424
41 H GLY 16 HN GLY 16 5.339 -1.243 7.240
42 HA2 GLY 16 HA2 GLY 16 3.225 -2.649 8.749
43 HA3 GLY 16 HA1 GLY 16 3.250 -0.910 8.484
44 H TRP 17 HN TRP 17 4.337 -2.143 5.678
45 HA TRP 17 HA TRP 17 1.647 -1.878 4.520
46 HB2 TRP 17 HB2 TRP 17 4.333 -1.077 3.406
47 HB3 TRP 17 HB1 TRP 17 2.831 -0.992 2.503
48 HD1 TRP 17 HD1 TRP 17 4.448 0.485 5.648
49 HE1 TRP 17 HE1 TRP 17 3.498 2.841 6.042
50 HE3 TRP 17 HE3 TRP 17 0.886 0.561 1.948
51 HZ2 TRP 17 HZ2 TRP 17 1.544 4.526 4.906
52 HZ3 TRP 17 HZ3 TRP 17 -0.439 2.587 1.669
53 HH2 TRP 17 HH2 TRP 17 -0.143 4.526 3.123
54 H GLU 18 HN GLU 18 0.858 -3.450 3.393
55 HA GLU 18 HA GLU 18 2.527 -5.685 2.527
56 HB2 GLU 18 HB2 GLU 18 -0.354 -5.244 3.045
57 HB3 GLU 18 HB1 GLU 18 0.034 -6.357 1.746
58 HG2 GLU 18 HG2 GLU 18 1.610 -7.439 3.507
59 HG3 GLU 18 HG1 GLU 18 0.589 -6.581 4.664
60 H VAL 19 HN VAL 19 2.653 -6.340 0.373
61 HA VAL 19 HA VAL 19 1.972 -4.260 -1.565
62 HB VAL 19 HB VAL 19 4.297 -4.945 -1.594
63 HG11 VAL 19 HG11 VAL 19 3.327 -7.729 -2.214
64 HG12 VAL 19 HG12 VAL 19 4.097 -7.202 -0.717
65 HG13 VAL 19 HG13 VAL 19 5.006 -7.191 -2.228
66 HG21 VAL 19 HG21 VAL 19 4.508 -5.606 -3.970
67 HG22 VAL 19 HG22 VAL 19 3.399 -4.264 -3.697
68 HG23 VAL 19 HG23 VAL 19 2.767 -5.881 -4.008
69 H ARG 20 HN ARG 20 -0.203 -4.603 -1.883
70 HA ARG 20 HA ARG 20 -1.083 -7.293 -2.648
71 HB2 ARG 20 HB2 ARG 20 -2.330 -5.873 -0.928
72 HB3 ARG 20 HB1 ARG 20 -2.829 -4.858 -2.274
73 HG2 ARG 20 HG2 ARG 20 -4.614 -6.323 -1.939
74 HG3 ARG 20 HG1 ARG 20 -3.747 -6.989 -3.325
75 HD2 ARG 20 HD2 ARG 20 -4.211 -8.843 -1.969
76 HD3 ARG 20 HD1 ARG 20 -2.523 -8.460 -1.641
77 HE ARG 20 HE ARG 20 -4.752 -7.690 0.142
78 HH11 ARG 20 HH11 ARG 20 -1.453 -8.806 -0.342
79 HH12 ARG 20 HH12 ARG 20 -1.130 -8.948 1.371
80 HH21 ARG 20 HH21 ARG 20 -4.327 -7.909 2.368
81 HH22 ARG 20 HH22 ARG 20 -2.745 -8.417 2.903
82 H HIS 21 HN HIS 21 -1.468 -7.809 -4.726
83 HA HIS 21 HA HIS 21 -0.909 -5.743 -6.702
84 HB2 HIS 21 HB2 HIS 21 0.029 -8.223 -6.564
85 HB3 HIS 21 HB1 HIS 21 -1.442 -8.577 -7.466
86 HD1 HIS 21 HD1 HIS 21 -1.595 -7.690 -9.892
87 HD2 HIS 21 HD2 HIS 21 1.977 -6.799 -7.953
88 HE1 HIS 21 HE1 HIS 21 -0.039 -6.831 -11.684
89 HE2 HIS 21 HE2 HIS 21 2.167 -6.484 -10.518
90 H ALA 22 HN ALA 22 -2.414 -4.805 -7.921
91 HA ALA 22 HA ALA 22 -5.128 -5.955 -7.939
92 HB1 ALA 22 HB1 ALA 22 -5.893 -3.680 -8.484
93 HB2 ALA 22 HB2 ALA 22 -4.226 -3.110 -8.415
94 HB3 ALA 22 HB3 ALA 22 -5.009 -3.728 -6.962
95 HA PRO 23 HA PRO 23 -5.001 -6.596 -12.356
96 HB2 PRO 23 HB2 PRO 23 -7.618 -5.236 -12.576
97 HB3 PRO 23 HB1 PRO 23 -7.171 -6.891 -13.003
98 HG2 PRO 23 HG2 PRO 23 -8.672 -6.382 -10.856
99 HG3 PRO 23 HG1 PRO 23 -7.442 -7.662 -10.833
100 HD2 PRO 23 HD2 PRO 23 -7.320 -4.892 -9.695
101 HD3 PRO 23 HD1 PRO 23 -6.762 -6.424 -8.989
102 H ASN 24 HN ASN 24 -4.856 -3.612 -10.989
103 HA ASN 24 HA ASN 24 -5.015 -1.883 -13.236
104 HB2 ASN 24 HB2 ASN 24 -3.695 -1.642 -10.543
105 HB3 ASN 24 HB1 ASN 24 -3.620 -0.363 -11.748
106 HD21 ASN 24 HD21 ASN 24 -5.405 0.861 -12.165
107 HD22 ASN 24 HD22 ASN 24 -6.845 0.791 -11.204
108 H GLY 25 HN GLY 25 -2.988 -4.393 -12.773
109 HA2 GLY 25 HA2 GLY 25 -0.854 -4.939 -13.458
110 HA3 GLY 25 HA1 GLY 25 -0.843 -3.442 -14.395
111 H ARG 26 HN ARG 26 -1.721 -3.126 -11.184
112 HA ARG 26 HA ARG 26 0.899 -2.047 -10.450
113 HB2 ARG 26 HB2 ARG 26 -0.495 -0.189 -11.206
114 HB3 ARG 26 HB1 ARG 26 -1.801 -0.704 -10.157
115 HG2 ARG 26 HG2 ARG 26 -0.827 0.195 -8.314
116 HG3 ARG 26 HG1 ARG 26 0.812 -0.142 -8.877
117 HD2 ARG 26 HD2 ARG 26 0.405 2.254 -8.816
118 HD3 ARG 26 HD1 ARG 26 0.637 1.700 -10.470
119 HE ARG 26 HE ARG 26 -2.114 1.789 -9.721
120 HH11 ARG 26 HH11 ARG 26 0.569 3.786 -10.764
121 HH12 ARG 26 HH12 ARG 26 -0.449 4.942 -11.572
122 HH21 ARG 26 HH21 ARG 26 -3.450 3.335 -10.796
123 HH22 ARG 26 HH22 ARG 26 -2.707 4.695 -11.584
124 HA PRO 27 HA PRO 27 -0.373 -3.979 -6.590
125 HB2 PRO 27 HB2 PRO 27 2.168 -3.606 -5.458
126 HB3 PRO 27 HB1 PRO 27 1.591 -5.066 -6.256
127 HG2 PRO 27 HG2 PRO 27 3.634 -3.336 -7.151
128 HG3 PRO 27 HG1 PRO 27 2.901 -4.675 -8.046
129 HD2 PRO 27 HD2 PRO 27 2.401 -1.763 -8.258
130 HD3 PRO 27 HD1 PRO 27 2.207 -3.050 -9.473
131 H PHE 28 HN PHE 28 -1.512 -2.759 -5.236
132 HA PHE 28 HA PHE 28 -0.608 -0.064 -4.626
133 HB2 PHE 28 HB2 PHE 28 -2.814 0.257 -3.606
134 HB3 PHE 28 HB1 PHE 28 -2.962 -0.351 -5.246
135 HD1 PHE 28 HD2 PHE 28 -3.651 -2.700 -5.628
136 HD2 PHE 28 HD1 PHE 28 -3.652 -0.948 -1.752
137 HE1 PHE 28 HE2 PHE 28 -5.140 -4.488 -4.821
138 HE2 PHE 28 HE1 PHE 28 -5.143 -2.729 -0.942
139 HZ PHE 28 HZ PHE 28 -5.890 -4.500 -2.479
140 H PHE 29 HN PHE 29 -0.001 0.578 -2.602
141 HA PHE 29 HA PHE 29 0.898 -1.557 -0.839
142 HB2 PHE 29 HB2 PHE 29 1.451 1.413 -0.873
143 HB3 PHE 29 HB1 PHE 29 2.221 0.257 0.212
144 HD1 PHE 29 HD2 PHE 29 3.696 -1.511 -0.737
145 HD2 PHE 29 HD1 PHE 29 2.154 1.684 -3.096
146 HE1 PHE 29 HE2 PHE 29 5.379 -1.988 -2.467
147 HE2 PHE 29 HE1 PHE 29 3.836 1.204 -4.837
148 HZ PHE 29 HZ PHE 29 5.447 -0.638 -4.519
149 H ILE 30 HN ILE 30 0.225 -1.820 1.277
150 HA ILE 30 HA ILE 30 -1.730 0.117 2.208
151 HB ILE 30 HB ILE 30 -3.145 -1.863 3.061
152 HG12 ILE 30 HG12 ILE 30 -1.639 -3.260 0.845
153 HG13 ILE 30 HG11 ILE 30 -1.478 -3.610 2.562
154 HG21 ILE 30 HG21 ILE 30 -3.911 -0.334 1.337
155 HG22 ILE 30 HG22 ILE 30 -4.403 -1.987 0.967
156 HG23 ILE 30 HG23 ILE 30 -3.044 -1.259 0.111
157 HD11 ILE 30 HD11 ILE 30 -3.825 -4.302 2.632
158 HD12 ILE 30 HD12 ILE 30 -2.891 -5.245 1.468
159 HD13 ILE 30 HD13 ILE 30 -3.965 -3.965 0.906
160 H ASP 31 HN ASP 31 -1.534 0.713 4.197
161 HA ASP 31 HA ASP 31 0.326 -0.679 5.955
162 HB2 ASP 31 HB2 ASP 31 0.477 1.774 5.696
163 HB3 ASP 31 HB1 ASP 31 -1.159 1.930 6.326
164 H HIS 32 HN HIS 32 -0.254 -1.791 7.739
165 HA HIS 32 HA HIS 32 -3.111 -2.329 7.991
166 HB2 HIS 32 HB2 HIS 32 -0.662 -3.859 8.790
167 HB3 HIS 32 HB1 HIS 32 -2.234 -4.255 9.477
168 HD1 HIS 32 HD1 HIS 32 -3.918 -5.467 7.981
169 HD2 HIS 32 HD2 HIS 32 -0.375 -4.462 6.037
170 HE1 HIS 32 HE1 HIS 32 -3.976 -6.683 5.789
171 HE2 HIS 32 HE2 HIS 32 -1.693 -6.321 4.803
172 H ASN 33 HN ASN 33 -0.597 -0.752 9.803
173 HA ASN 33 HA ASN 33 -1.969 -1.154 12.325
174 HB2 ASN 33 HB2 ASN 33 -0.225 0.151 13.367
175 HB3 ASN 33 HB1 ASN 33 0.517 -0.993 12.256
176 HD21 ASN 33 HD21 ASN 33 1.548 -0.222 10.415
177 HD22 ASN 33 HD22 ASN 33 1.900 1.445 10.171
178 H THR 34 HN THR 34 -1.660 1.284 9.878
179 HA THR 34 HA THR 34 -4.083 2.539 10.973
180 HB THR 34 HB THR 34 -3.222 4.724 9.978
181 HG1 THR 34 HG1 THR 34 -1.099 3.094 9.438
182 HG21 THR 34 HG21 THR 34 -3.336 4.380 12.385
183 HG22 THR 34 HG22 THR 34 -1.893 5.301 11.962
184 HG23 THR 34 HG23 THR 34 -1.759 3.589 12.363
185 H LYS 35 HN LYS 35 -5.598 1.920 9.527
186 HA LYS 35 HA LYS 35 -4.899 0.645 7.148
187 HB2 LYS 35 HB2 LYS 35 -7.645 1.748 7.313
188 HB3 LYS 35 HB1 LYS 35 -7.104 0.124 6.921
189 HG2 LYS 35 HG2 LYS 35 -7.336 1.346 9.662
190 HG3 LYS 35 HG1 LYS 35 -8.357 0.092 8.969
191 HD2 LYS 35 HD2 LYS 35 -5.400 -0.226 9.480
192 HD3 LYS 35 HD1 LYS 35 -6.655 -0.726 10.611
193 HE2 LYS 35 HE2 LYS 35 -7.585 -2.180 8.807
194 HE3 LYS 35 HE1 LYS 35 -6.174 -1.775 7.829
195 HZ1 LYS 35 HZ1 LYS 35 -5.745 -3.831 8.916
196 HZ2 LYS 35 HZ2 LYS 35 -6.215 -3.221 10.424
197 HZ3 LYS 35 HZ3 LYS 35 -4.794 -2.662 9.695
198 H THR 36 HN THR 36 -3.733 1.788 5.705
199 HA THR 36 HA THR 36 -5.152 3.857 4.195
200 HB THR 36 HB THR 36 -2.928 5.162 4.083
201 HG1 THR 36 HG1 THR 36 -2.520 3.619 6.454
202 HG21 THR 36 HG21 THR 36 -3.464 6.458 6.097
203 HG22 THR 36 HG22 THR 36 -4.512 5.152 6.652
204 HG23 THR 36 HG23 THR 36 -4.915 6.044 5.185
205 H THR 37 HN THR 37 -4.378 4.102 2.022
206 HA THR 37 HA THR 37 -2.553 1.970 1.148
207 HB THR 37 HB THR 37 -4.832 1.217 0.700
208 HG1 THR 37 HG1 THR 37 -3.020 0.972 -0.900
209 HG21 THR 37 HG21 THR 37 -6.288 2.424 -0.861
210 HG22 THR 37 HG22 THR 37 -5.111 3.736 -0.940
211 HG23 THR 37 HG23 THR 37 -5.942 3.392 0.574
212 H THR 38 HN THR 38 -1.231 2.429 -0.594
213 HA THR 38 HA THR 38 -1.447 5.098 -1.804
214 HB THR 38 HB THR 38 0.981 5.378 -1.730
215 HG1 THR 38 HG1 THR 38 2.127 3.642 -1.400
216 HG21 THR 38 HG21 THR 38 1.244 5.777 0.667
217 HG22 THR 38 HG22 THR 38 -0.184 4.792 0.988
218 HG23 THR 38 HG23 THR 38 -0.340 6.309 0.101
219 H TRP 39 HN TRP 39 -0.691 5.267 -3.947
220 HA TRP 39 HA TRP 39 -0.377 2.692 -5.311
221 HB2 TRP 39 HB2 TRP 39 -0.787 5.483 -6.392
222 HB3 TRP 39 HB1 TRP 39 -0.505 4.074 -7.407
223 HD1 TRP 39 HD1 TRP 39 -3.216 5.946 -5.655
224 HE1 TRP 39 HE1 TRP 39 -5.464 4.744 -5.996
225 HE3 TRP 39 HE3 TRP 39 -1.502 1.501 -7.564
226 HZ2 TRP 39 HZ2 TRP 39 -6.395 2.265 -6.941
227 HZ3 TRP 39 HZ3 TRP 39 -3.130 -0.215 -8.172
228 HH2 TRP 39 HH2 TRP 39 -5.537 0.146 -7.854
229 H GLU 40 HN GLU 40 1.416 5.385 -4.217
230 HA GLU 40 HA GLU 40 3.756 4.484 -5.727
231 HB2 GLU 40 HB2 GLU 40 4.705 6.692 -4.575
232 HB3 GLU 40 HB1 GLU 40 3.825 6.727 -6.092
233 HG2 GLU 40 HG2 GLU 40 2.904 8.462 -4.869
234 HG3 GLU 40 HG1 GLU 40 1.749 7.149 -4.667
235 H ASP 41 HN ASP 41 5.663 3.980 -4.698
236 HA ASP 41 HA ASP 41 5.330 2.258 -2.534
237 HB2 ASP 41 HB2 ASP 41 7.138 2.301 -4.371
238 HB3 ASP 41 HB1 ASP 41 7.986 3.433 -3.324
239 HA PRO 42 HA PRO 42 5.414 5.140 0.905
240 HB2 PRO 42 HB2 PRO 42 5.866 3.168 2.797
241 HB3 PRO 42 HB1 PRO 42 4.286 3.728 2.243
242 HG2 PRO 42 HG2 PRO 42 5.848 1.336 1.409
243 HG3 PRO 42 HG1 PRO 42 4.106 1.529 1.625
244 HD2 PRO 42 HD2 PRO 42 5.216 1.477 -0.807
245 HD3 PRO 42 HD1 PRO 42 3.824 2.512 -0.444
246 H ARG 43 HN ARG 43 8.020 3.105 -0.150
247 HA ARG 43 HA ARG 43 9.950 3.877 1.764
248 HB2 ARG 43 HB2 ARG 43 10.113 2.992 -1.091
249 HB3 ARG 43 HB1 ARG 43 11.549 3.624 -0.297
250 HG2 ARG 43 HG2 ARG 43 11.433 1.910 1.388
251 HG3 ARG 43 HG1 ARG 43 9.903 1.324 0.732
252 HD2 ARG 43 HD2 ARG 43 12.496 1.379 -0.803
253 HD3 ARG 43 HD1 ARG 43 11.891 -0.028 0.071
254 HE ARG 43 HE ARG 43 9.831 0.721 -1.580
255 HH11 ARG 43 HH11 ARG 43 13.203 -0.169 -2.069
256 HH12 ARG 43 HH12 ARG 43 12.898 -0.893 -3.625
257 HH21 ARG 43 HH21 ARG 43 9.451 -0.243 -3.586
258 HH22 ARG 43 HH22 ARG 43 10.775 -0.942 -4.483
259 H LEU 44 HN LEU 44 8.233 5.699 -0.490
260 HA LEU 44 HA LEU 44 10.125 7.832 -0.755
261 HB2 LEU 44 HB2 LEU 44 7.145 7.777 -1.231
262 HB3 LEU 44 HB1 LEU 44 8.198 9.115 -1.642
263 HG LEU 44 HG LEU 44 8.322 6.345 -2.837
264 HD11 LEU 44 HD11 LEU 44 7.570 7.437 -4.881
265 HD12 LEU 44 HD12 LEU 44 7.451 8.974 -4.025
266 HD13 LEU 44 HD13 LEU 44 6.389 7.635 -3.586
267 HD21 LEU 44 HD21 LEU 44 9.990 7.277 -4.347
268 HD22 LEU 44 HD22 LEU 44 10.532 7.378 -2.670
269 HD23 LEU 44 HD23 LEU 44 9.922 8.816 -3.488
270 H LYS 45 HN LYS 45 7.940 6.814 1.721
271 HA LYS 45 HA LYS 45 8.825 9.104 3.269
272 HB2 LYS 45 HB2 LYS 45 6.735 9.925 3.956
273 HB3 LYS 45 HB1 LYS 45 6.596 9.741 2.220
274 HG2 LYS 45 HG2 LYS 45 5.525 7.774 4.229
275 HG3 LYS 45 HG1 LYS 45 4.583 9.071 3.498
276 HD2 LYS 45 HD2 LYS 45 5.976 6.919 1.915
277 HD3 LYS 45 HD1 LYS 45 4.302 6.806 2.452
278 HE2 LYS 45 HE2 LYS 45 4.064 9.120 1.270
279 HE3 LYS 45 HE1 LYS 45 5.529 8.624 0.423
280 HZ1 LYS 45 HZ1 LYS 45 4.299 6.535 -0.162
281 HZ2 LYS 45 HZ2 LYS 45 3.707 7.937 -0.895
282 HZ3 LYS 45 HZ3 LYS 45 2.893 7.268 0.434
283 H ILE 46 HN ILE 46 9.810 8.167 4.876
284 HA ILE 46 HA ILE 46 8.577 5.805 6.105
285 HB ILE 46 HB ILE 46 10.909 5.152 6.811
286 HG12 ILE 46 HG12 ILE 46 11.884 7.461 6.262
287 HG13 ILE 46 HG11 ILE 46 12.832 6.056 5.798
288 HG21 ILE 46 HG21 ILE 46 10.297 5.178 3.863
289 HG22 ILE 46 HG22 ILE 46 9.723 4.001 5.044
290 HG23 ILE 46 HG23 ILE 46 11.442 4.104 4.666
291 HD11 ILE 46 HD11 ILE 46 11.114 7.718 3.966
292 HD12 ILE 46 HD12 ILE 46 12.060 6.306 3.491
293 HD13 ILE 46 HD13 ILE 46 12.875 7.758 4.075
294 H THR 112 H THR 112 -8.702 7.607 -12.076
295 HA THR 112 HA THR 112 -8.617 4.732 -11.379
296 HB THR 112 HB THR 112 -6.530 5.490 -12.391
297 HG1 THR 112 HG1 THR 112 -5.478 5.540 -9.932
298 HG21 THR 112 HG21 THR 112 -5.208 7.297 -11.417
299 HG22 THR 112 HG22 THR 112 -6.502 7.631 -10.264
300 HG23 THR 112 HG23 THR 112 -6.768 7.892 -11.988
301 H ALA 113 HN ALA 113 -8.470 4.252 -9.166
302 HA ALA 113 HA ALA 113 -8.802 6.410 -7.257
303 HB1 ALA 113 HB1 ALA 113 -10.918 5.603 -6.383
304 HB2 ALA 113 HB2 ALA 113 -10.962 4.337 -7.611
305 HB3 ALA 113 HB3 ALA 113 -11.083 6.032 -8.086
306 HA PRO 114 HA PRO 114 -6.577 3.431 -4.767
307 HB2 PRO 114 HB2 PRO 114 -7.338 5.221 -2.554
308 HB3 PRO 114 HB1 PRO 114 -5.729 4.758 -3.115
309 HG2 PRO 114 HG2 PRO 114 -6.714 7.229 -3.505
310 HG3 PRO 114 HG1 PRO 114 -5.645 6.445 -4.683
311 HD2 PRO 114 HD2 PRO 114 -8.616 6.791 -4.751
312 HD3 PRO 114 HD1 PRO 114 -7.434 6.915 -6.072
313 HA PRO 115 HA PRO 115 -10.143 1.101 -3.501
314 HB2 PRO 115 HB2 PRO 115 -8.764 -0.758 -2.005
315 HB3 PRO 115 HB1 PRO 115 -8.964 -0.834 -3.758
316 HG2 PRO 115 HG2 PRO 115 -6.644 0.158 -2.154
317 HG3 PRO 115 HG1 PRO 115 -6.651 -0.806 -3.643
318 HD2 PRO 115 HD2 PRO 115 -6.134 1.827 -3.671
319 HD3 PRO 115 HD1 PRO 115 -7.035 1.044 -4.986
320 H GLU 116 HN GLU 116 -11.515 1.557 -1.916
321 HA GLU 116 HA GLU 116 -10.912 2.914 0.447
322 HB2 GLU 116 HB2 GLU 116 -13.156 0.945 0.451
323 HB3 GLU 116 HB1 GLU 116 -13.110 2.573 1.097
324 HG2 GLU 116 HG2 GLU 116 -14.548 2.766 -0.702
325 HG3 GLU 116 HG1 GLU 116 -13.009 3.326 -1.360
326 H TYR 117 HN TYR 117 -10.347 2.242 2.484
327 HA TYR 117 HA TYR 117 -9.262 -0.487 2.498
328 HB2 TYR 117 HB2 TYR 117 -7.679 1.520 2.563
329 HB3 TYR 117 HB1 TYR 117 -8.276 1.804 4.191
330 HD1 TYR 117 HD1 TYR 117 -8.459 -1.112 5.088
331 HD2 TYR 117 HD2 TYR 117 -5.437 1.036 3.008
332 HE1 TYR 117 HE1 TYR 117 -6.763 -2.648 5.980
333 HE2 TYR 117 HE2 TYR 117 -3.739 -0.497 3.894
334 HH TYR 117 HH TYR 117 -3.454 -1.982 5.834
335 H MET 118 HN MET 118 -10.362 -1.813 3.703
336 HA MET 118 HA MET 118 -10.376 -1.345 6.526
337 HB2 MET 118 HB2 MET 118 -12.648 -0.502 5.713
338 HB3 MET 118 HB1 MET 118 -13.008 -2.161 5.266
339 HG2 MET 118 HG2 MET 118 -12.260 -1.306 8.050
340 HG3 MET 118 HG1 MET 118 -13.920 -1.412 7.471
341 HE1 MET 118 HE1 MET 118 -14.346 -5.222 6.800
342 HE2 MET 118 HE2 MET 118 -13.900 -3.968 5.642
343 HE3 MET 118 HE3 MET 118 -15.140 -3.647 6.854
344 H GLU 119 HN GLU 119 -9.275 -3.072 7.076
345 HA GLU 119 HA GLU 119 -9.851 -5.743 6.359
346 HB2 GLU 119 HB2 GLU 119 -9.067 -4.772 4.138
347 HB3 GLU 119 HB1 GLU 119 -7.496 -4.542 4.882
348 HG2 GLU 119 HG2 GLU 119 -7.444 -6.543 3.593
349 HG3 GLU 119 HG1 GLU 119 -7.386 -6.978 5.300
350 H ALA 120 HN ALA 120 -8.972 -6.862 8.005
351 HA ALA 120 HA ALA 120 -7.408 -5.780 10.003
352 HB1 ALA 120 HB1 ALA 120 -7.019 -8.054 10.770
353 HB2 ALA 120 HB2 ALA 120 -7.529 -8.687 9.204
354 HB3 ALA 120 HB3 ALA 120 -8.690 -7.858 10.241
Start of MODEL 3
1 H PHE 12 H PHE 12 9.881 -5.682 0.248
2 HA PHE 12 HA PHE 12 12.563 -4.593 0.876
3 HB2 PHE 12 HB2 PHE 12 12.644 -3.774 -1.375
4 HB3 PHE 12 HB1 PHE 12 12.262 -5.488 -1.459
5 HD1 PHE 12 HD1 PHE 12 9.795 -6.132 -1.762
6 HD2 PHE 12 HD2 PHE 12 11.304 -2.210 -2.426
7 HE1 PHE 12 HE1 PHE 12 7.824 -5.607 -3.133
8 HE2 PHE 12 HE2 PHE 12 9.331 -1.677 -3.796
9 HZ PHE 12 HZ PHE 12 7.588 -3.378 -4.151
10 H LEU 13 HN LEU 13 9.368 -4.259 1.508
11 HA LEU 13 HA LEU 13 9.386 -1.341 1.179
12 HB2 LEU 13 HB2 LEU 13 6.828 -1.666 1.396
13 HB3 LEU 13 HB1 LEU 13 7.617 -2.054 -0.120
14 HG LEU 13 HG LEU 13 7.595 -4.463 0.547
15 HD11 LEU 13 HD11 LEU 13 7.432 -4.173 2.962
16 HD12 LEU 13 HD12 LEU 13 6.106 -5.159 2.344
17 HD13 LEU 13 HD13 LEU 13 5.823 -3.473 2.774
18 HD21 LEU 13 HD21 LEU 13 5.220 -4.783 0.086
19 HD22 LEU 13 HD22 LEU 13 5.914 -3.538 -0.953
20 HD23 LEU 13 HD23 LEU 13 4.920 -3.081 0.430
21 HA PRO 14 HA PRO 14 8.815 -0.257 5.468
22 HB2 PRO 14 HB2 PRO 14 5.974 0.335 4.716
23 HB3 PRO 14 HB1 PRO 14 7.085 1.285 5.708
24 HG2 PRO 14 HG2 PRO 14 6.665 1.982 3.200
25 HG3 PRO 14 HG1 PRO 14 8.315 2.009 3.855
26 HD2 PRO 14 HD2 PRO 14 7.051 0.063 1.989
27 HD3 PRO 14 HD1 PRO 14 8.733 0.620 2.071
28 H LYS 15 HN LYS 15 8.512 -1.523 7.170
29 HA LYS 15 HA LYS 15 7.146 -3.988 7.007
30 HB2 LYS 15 HB2 LYS 15 8.028 -2.577 9.530
31 HB3 LYS 15 HB1 LYS 15 7.790 -4.306 9.302
32 HG2 LYS 15 HG2 LYS 15 9.656 -4.332 7.703
33 HG3 LYS 15 HG1 LYS 15 9.912 -2.613 8.003
34 HD2 LYS 15 HD2 LYS 15 10.268 -3.161 10.409
35 HD3 LYS 15 HD1 LYS 15 10.186 -4.871 9.979
36 HE2 LYS 15 HE2 LYS 15 12.196 -2.847 9.005
37 HE3 LYS 15 HE1 LYS 15 12.496 -4.194 10.102
38 HZ1 LYS 15 HZ1 LYS 15 11.879 -5.709 8.277
39 HZ2 LYS 15 HZ2 LYS 15 13.238 -4.764 7.913
40 HZ3 LYS 15 HZ3 LYS 15 11.733 -4.379 7.235
41 H GLY 16 HN GLY 16 5.067 -4.398 7.218
42 HA2 GLY 16 HA2 GLY 16 3.065 -4.207 8.641
43 HA3 GLY 16 HA1 GLY 16 3.393 -2.479 8.722
44 H TRP 17 HN TRP 17 4.238 -2.841 5.769
45 HA TRP 17 HA TRP 17 1.553 -2.420 4.683
46 HB2 TRP 17 HB2 TRP 17 4.290 -1.737 3.599
47 HB3 TRP 17 HB1 TRP 17 2.801 -1.493 2.700
48 HD1 TRP 17 HD1 TRP 17 4.539 -0.254 5.913
49 HE1 TRP 17 HE1 TRP 17 3.757 2.148 6.381
50 HE3 TRP 17 HE3 TRP 17 0.962 0.205 2.230
51 HZ2 TRP 17 HZ2 TRP 17 1.923 3.998 5.330
52 HZ3 TRP 17 HZ3 TRP 17 -0.206 2.327 2.033
53 HH2 TRP 17 HH2 TRP 17 0.233 4.187 3.557
54 H GLU 18 HN GLU 18 0.639 -3.842 3.414
55 HA GLU 18 HA GLU 18 2.151 -6.149 2.439
56 HB2 GLU 18 HB2 GLU 18 -0.744 -5.519 2.868
57 HB3 GLU 18 HB1 GLU 18 -0.307 -6.785 1.738
58 HG2 GLU 18 HG2 GLU 18 0.479 -6.681 4.643
59 HG3 GLU 18 HG1 GLU 18 -0.825 -7.655 3.964
60 H VAL 19 HN VAL 19 2.400 -6.587 0.241
61 HA VAL 19 HA VAL 19 1.560 -4.434 -1.552
62 HB VAL 19 HB VAL 19 3.917 -5.063 -1.697
63 HG11 VAL 19 HG11 VAL 19 2.957 -7.773 -2.599
64 HG12 VAL 19 HG12 VAL 19 3.773 -7.414 -1.078
65 HG13 VAL 19 HG13 VAL 19 4.628 -7.211 -2.606
66 HG21 VAL 19 HG21 VAL 19 4.051 -5.350 -4.121
67 HG22 VAL 19 HG22 VAL 19 2.806 -4.186 -3.671
68 HG23 VAL 19 HG23 VAL 19 2.351 -5.818 -4.160
69 H ARG 20 HN ARG 20 -0.408 -4.656 -2.322
70 HA ARG 20 HA ARG 20 -1.340 -7.351 -3.072
71 HB2 ARG 20 HB2 ARG 20 -2.611 -5.982 -1.316
72 HB3 ARG 20 HB1 ARG 20 -3.081 -4.924 -2.638
73 HG2 ARG 20 HG2 ARG 20 -4.878 -6.395 -2.371
74 HG3 ARG 20 HG1 ARG 20 -3.998 -7.009 -3.772
75 HD2 ARG 20 HD2 ARG 20 -4.592 -8.865 -2.379
76 HD3 ARG 20 HD1 ARG 20 -2.850 -8.623 -2.267
77 HE ARG 20 HE ARG 20 -4.099 -7.211 -0.180
78 HH11 ARG 20 HH11 ARG 20 -3.521 -10.519 -1.185
79 HH12 ARG 20 HH12 ARG 20 -3.499 -11.136 0.442
80 HH21 ARG 20 HH21 ARG 20 -4.098 -8.050 1.968
81 HH22 ARG 20 HH22 ARG 20 -3.832 -9.748 2.215
82 H HIS 21 HN HIS 21 -1.653 -7.740 -5.201
83 HA HIS 21 HA HIS 21 -1.043 -5.545 -7.015
84 HB2 HIS 21 HB2 HIS 21 -0.010 -7.969 -7.014
85 HB3 HIS 21 HB1 HIS 21 -1.449 -8.356 -7.953
86 HD1 HIS 21 HD1 HIS 21 -1.538 -7.558 -10.365
87 HD2 HIS 21 HD2 HIS 21 1.789 -6.169 -8.277
88 HE1 HIS 21 HE1 HIS 21 -0.039 -6.489 -12.093
89 HE2 HIS 21 HE2 HIS 21 2.011 -5.750 -10.828
90 H ALA 22 HN ALA 22 -2.572 -4.465 -8.016
91 HA ALA 22 HA ALA 22 -5.294 -5.514 -8.120
92 HB1 ALA 22 HB1 ALA 22 -4.912 -3.228 -7.294
93 HB2 ALA 22 HB2 ALA 22 -5.929 -3.243 -8.733
94 HB3 ALA 22 HB3 ALA 22 -4.231 -2.783 -8.857
95 HA PRO 23 HA PRO 23 -5.298 -6.398 -12.495
96 HB2 PRO 23 HB2 PRO 23 -7.714 -5.413 -13.281
97 HB3 PRO 23 HB1 PRO 23 -7.531 -6.913 -12.363
98 HG2 PRO 23 HG2 PRO 23 -8.226 -4.165 -11.387
99 HG3 PRO 23 HG1 PRO 23 -8.953 -5.723 -10.951
100 HD2 PRO 23 HD2 PRO 23 -7.154 -4.501 -9.367
101 HD3 PRO 23 HD1 PRO 23 -7.222 -6.269 -9.516
102 H ASN 24 HN ASN 24 -4.918 -3.390 -11.310
103 HA ASN 24 HA ASN 24 -5.092 -1.837 -13.727
104 HB2 ASN 24 HB2 ASN 24 -5.432 -0.911 -11.414
105 HB3 ASN 24 HB1 ASN 24 -3.716 -1.156 -11.128
106 HD21 ASN 24 HD21 ASN 24 -3.408 1.039 -10.758
107 HD22 ASN 24 HD22 ASN 24 -3.398 2.201 -12.040
108 H GLY 25 HN GLY 25 -3.185 -4.295 -13.037
109 HA2 GLY 25 HA2 GLY 25 -1.022 -4.949 -13.494
110 HA3 GLY 25 HA1 GLY 25 -0.942 -3.577 -14.601
111 H ARG 26 HN ARG 26 -1.645 -3.504 -11.198
112 HA ARG 26 HA ARG 26 0.763 -1.947 -10.665
113 HB2 ARG 26 HB2 ARG 26 -0.867 -0.317 -11.426
114 HB3 ARG 26 HB1 ARG 26 -2.085 -0.957 -10.349
115 HG2 ARG 26 HG2 ARG 26 -1.349 0.958 -9.295
116 HG3 ARG 26 HG1 ARG 26 -0.394 -0.299 -8.507
117 HD2 ARG 26 HD2 ARG 26 1.511 0.213 -9.862
118 HD3 ARG 26 HD1 ARG 26 0.564 1.322 -10.854
119 HE ARG 26 HE ARG 26 0.819 1.897 -8.000
120 HH11 ARG 26 HH11 ARG 26 1.558 2.686 -11.331
121 HH12 ARG 26 HH12 ARG 26 2.302 4.207 -10.950
122 HH21 ARG 26 HH21 ARG 26 1.846 3.915 -7.489
123 HH22 ARG 26 HH22 ARG 26 2.444 4.914 -8.780
124 HA PRO 27 HA PRO 27 -0.137 -3.891 -6.686
125 HB2 PRO 27 HB2 PRO 27 2.405 -3.249 -5.692
126 HB3 PRO 27 HB1 PRO 27 1.937 -4.772 -6.434
127 HG2 PRO 27 HG2 PRO 27 3.745 -2.860 -7.455
128 HG3 PRO 27 HG1 PRO 27 3.138 -4.291 -8.289
129 HD2 PRO 27 HD2 PRO 27 2.316 -1.462 -8.557
130 HD3 PRO 27 HD1 PRO 27 2.201 -2.800 -9.722
131 H PHE 28 HN PHE 28 -1.258 -2.795 -5.186
132 HA PHE 28 HA PHE 28 -0.413 -0.061 -4.576
133 HB2 PHE 28 HB2 PHE 28 -2.635 0.241 -3.542
134 HB3 PHE 28 HB1 PHE 28 -2.737 -0.207 -5.235
135 HD1 PHE 28 HD2 PHE 28 -3.516 -2.474 -5.861
136 HD2 PHE 28 HD1 PHE 28 -3.566 -1.108 -1.840
137 HE1 PHE 28 HE2 PHE 28 -5.112 -4.261 -5.272
138 HE2 PHE 28 HE1 PHE 28 -5.159 -2.880 -1.247
139 HZ PHE 28 HZ PHE 28 -5.936 -4.460 -2.964
140 H PHE 29 HN PHE 29 0.163 0.549 -2.561
141 HA PHE 29 HA PHE 29 1.095 -1.592 -0.817
142 HB2 PHE 29 HB2 PHE 29 1.559 1.397 -0.730
143 HB3 PHE 29 HB1 PHE 29 2.411 0.199 0.235
144 HD1 PHE 29 HD1 PHE 29 3.978 -1.373 -0.882
145 HD2 PHE 29 HD2 PHE 29 2.118 1.840 -2.970
146 HE1 PHE 29 HE1 PHE 29 5.623 -1.615 -2.701
147 HE2 PHE 29 HE2 PHE 29 3.759 1.604 -4.794
148 HZ PHE 29 HZ PHE 29 5.512 -0.128 -4.661
149 H ILE 30 HN ILE 30 0.296 -1.960 1.235
150 HA ILE 30 HA ILE 30 -1.693 -0.054 2.147
151 HB ILE 30 HB ILE 30 -3.182 -2.028 2.782
152 HG12 ILE 30 HG12 ILE 30 -1.434 -3.408 0.738
153 HG13 ILE 30 HG11 ILE 30 -1.491 -3.783 2.458
154 HG21 ILE 30 HG21 ILE 30 -2.754 -1.389 -0.125
155 HG22 ILE 30 HG22 ILE 30 -3.757 -0.487 1.011
156 HG23 ILE 30 HG23 ILE 30 -4.196 -2.135 0.559
157 HD11 ILE 30 HD11 ILE 30 -3.790 -4.518 2.241
158 HD12 ILE 30 HD12 ILE 30 -2.755 -5.380 1.105
159 HD13 ILE 30 HD13 ILE 30 -3.791 -4.073 0.536
160 H ASP 31 HN ASP 31 -1.697 0.445 4.172
161 HA ASP 31 HA ASP 31 0.039 -1.046 6.004
162 HB2 ASP 31 HB2 ASP 31 0.555 1.289 5.899
163 HB3 ASP 31 HB1 ASP 31 -1.138 1.732 6.102
164 H HIS 32 HN HIS 32 -0.739 -2.186 7.660
165 HA HIS 32 HA HIS 32 -3.624 -2.353 7.974
166 HB2 HIS 32 HB2 HIS 32 -1.380 -3.947 9.217
167 HB3 HIS 32 HB1 HIS 32 -3.087 -4.230 9.536
168 HD1 HIS 32 HD1 HIS 32 -4.499 -5.237 7.598
169 HD2 HIS 32 HD2 HIS 32 -0.438 -4.908 6.790
170 HE1 HIS 32 HE1 HIS 32 -4.091 -6.682 5.583
171 HE2 HIS 32 HE2 HIS 32 -1.584 -6.729 5.357
172 H ASN 33 HN ASN 33 -1.024 -0.734 9.444
173 HA ASN 33 HA ASN 33 -1.952 -0.793 12.145
174 HB2 ASN 33 HB2 ASN 33 -0.032 1.119 10.788
175 HB3 ASN 33 HB1 ASN 33 -0.305 1.027 12.522
176 HD21 ASN 33 HD21 ASN 33 1.170 -0.439 9.762
177 HD22 ASN 33 HD22 ASN 33 2.123 -1.595 10.638
178 H THR 34 HN THR 34 -1.893 1.779 9.687
179 HA THR 34 HA THR 34 -3.701 3.351 11.378
180 HB THR 34 HB THR 34 -2.541 4.537 8.923
181 HG1 THR 34 HG1 THR 34 -0.761 3.337 9.618
182 HG21 THR 34 HG21 THR 34 -3.832 5.853 10.543
183 HG22 THR 34 HG22 THR 34 -2.167 6.423 10.438
184 HG23 THR 34 HG23 THR 34 -2.677 5.432 11.806
185 H LYS 35 HN LYS 35 -4.071 1.175 8.973
186 HA LYS 35 HA LYS 35 -5.510 0.772 7.284
187 HB2 LYS 35 HB2 LYS 35 -7.225 2.845 8.672
188 HB3 LYS 35 HB1 LYS 35 -7.787 1.657 7.507
189 HG2 LYS 35 HG2 LYS 35 -6.705 1.120 10.266
190 HG3 LYS 35 HG1 LYS 35 -8.372 0.936 9.720
191 HD2 LYS 35 HD2 LYS 35 -7.598 -0.803 8.123
192 HD3 LYS 35 HD1 LYS 35 -5.981 -0.660 8.813
193 HE2 LYS 35 HE2 LYS 35 -8.428 -1.379 10.413
194 HE3 LYS 35 HE1 LYS 35 -7.344 -2.567 9.693
195 HZ1 LYS 35 HZ1 LYS 35 -6.769 -2.217 11.980
196 HZ2 LYS 35 HZ2 LYS 35 -6.632 -0.547 11.754
197 HZ3 LYS 35 HZ3 LYS 35 -5.524 -1.600 11.011
198 H THR 36 HN THR 36 -4.048 1.645 5.733
199 HA THR 36 HA THR 36 -5.033 4.047 4.419
200 HB THR 36 HB THR 36 -2.140 3.848 5.300
201 HG1 THR 36 HG1 THR 36 -4.348 4.770 6.602
202 HG21 THR 36 HG21 THR 36 -1.972 6.155 4.510
203 HG22 THR 36 HG22 THR 36 -3.660 6.112 3.999
204 HG23 THR 36 HG23 THR 36 -2.472 5.083 3.201
205 H THR 37 HN THR 37 -4.509 4.172 2.248
206 HA THR 37 HA THR 37 -2.987 1.921 1.108
207 HB THR 37 HB THR 37 -5.413 3.231 -0.143
208 HG1 THR 37 HG1 THR 37 -6.612 1.623 0.669
209 HG21 THR 37 HG21 THR 37 -3.856 2.267 -1.757
210 HG22 THR 37 HG22 THR 37 -5.343 1.318 -1.678
211 HG23 THR 37 HG23 THR 37 -3.882 0.739 -0.877
212 H THR 38 HN THR 38 -1.523 2.448 -0.507
213 HA THR 38 HA THR 38 -1.681 5.066 -1.775
214 HB THR 38 HB THR 38 -0.270 5.585 0.111
215 HG1 THR 38 HG1 THR 38 1.856 5.445 -1.521
216 HG21 THR 38 HG21 THR 38 1.838 4.402 0.523
217 HG22 THR 38 HG22 THR 38 1.438 3.253 -0.755
218 HG23 THR 38 HG23 THR 38 0.447 3.333 0.701
219 H TRP 39 HN TRP 39 -0.936 5.081 -3.847
220 HA TRP 39 HA TRP 39 -0.045 2.534 -4.929
221 HB2 TRP 39 HB2 TRP 39 -0.541 5.157 -6.360
222 HB3 TRP 39 HB1 TRP 39 -0.251 3.597 -7.123
223 HD1 TRP 39 HD1 TRP 39 -2.929 5.584 -5.284
224 HE1 TRP 39 HE1 TRP 39 -5.200 4.425 -5.605
225 HE3 TRP 39 HE3 TRP 39 -1.332 1.276 -7.609
226 HZ2 TRP 39 HZ2 TRP 39 -6.195 2.022 -6.677
227 HZ3 TRP 39 HZ3 TRP 39 -3.040 -0.388 -8.223
228 HH2 TRP 39 HH2 TRP 39 -5.407 -0.024 -7.777
229 H GLU 40 HN GLU 40 1.266 5.395 -3.742
230 HA GLU 40 HA GLU 40 3.811 5.073 -5.137
231 HB2 GLU 40 HB2 GLU 40 2.881 7.131 -3.120
232 HB3 GLU 40 HB1 GLU 40 4.469 7.118 -3.876
233 HG2 GLU 40 HG2 GLU 40 1.824 7.488 -5.256
234 HG3 GLU 40 HG1 GLU 40 3.056 8.717 -4.973
235 H ASP 41 HN ASP 41 5.552 4.172 -4.224
236 HA ASP 41 HA ASP 41 5.347 2.491 -2.005
237 HB2 ASP 41 HB2 ASP 41 7.060 2.366 -3.850
238 HB3 ASP 41 HB1 ASP 41 7.898 3.710 -3.084
239 HA PRO 42 HA PRO 42 5.328 5.547 1.247
240 HB2 PRO 42 HB2 PRO 42 5.956 3.171 2.914
241 HB3 PRO 42 HB1 PRO 42 4.665 4.366 3.087
242 HG2 PRO 42 HG2 PRO 42 4.127 1.934 2.172
243 HG3 PRO 42 HG1 PRO 42 3.336 3.359 1.474
244 HD2 PRO 42 HD2 PRO 42 5.601 1.731 0.402
245 HD3 PRO 42 HD1 PRO 42 4.219 2.438 -0.457
246 H ARG 43 HN ARG 43 8.034 3.601 0.364
247 HA ARG 43 HA ARG 43 9.825 4.614 2.355
248 HB2 ARG 43 HB2 ARG 43 10.336 3.358 -0.339
249 HB3 ARG 43 HB1 ARG 43 11.617 3.842 0.764
250 HG2 ARG 43 HG2 ARG 43 10.879 2.268 2.410
251 HG3 ARG 43 HG1 ARG 43 9.445 1.880 1.458
252 HD2 ARG 43 HD2 ARG 43 12.299 1.393 0.617
253 HD3 ARG 43 HD1 ARG 43 11.188 0.168 1.231
254 HE ARG 43 HE ARG 43 9.770 0.990 -0.803
255 HH11 ARG 43 HH11 ARG 43 13.253 0.540 -0.688
256 HH12 ARG 43 HH12 ARG 43 13.381 0.171 -2.386
257 HH21 ARG 43 HH21 ARG 43 9.923 0.499 -2.995
258 HH22 ARG 43 HH22 ARG 43 11.486 0.179 -3.713
259 H LEU 44 HN LEU 44 8.500 5.867 -0.562
260 HA LEU 44 HA LEU 44 10.515 7.904 -0.906
261 HB2 LEU 44 HB2 LEU 44 7.825 7.404 -2.149
262 HB3 LEU 44 HB1 LEU 44 8.671 8.913 -2.421
263 HG LEU 44 HG LEU 44 9.085 7.475 -4.285
264 HD11 LEU 44 HD11 LEU 44 10.962 8.830 -3.593
265 HD12 LEU 44 HD12 LEU 44 11.527 7.284 -4.227
266 HD13 LEU 44 HD13 LEU 44 11.496 7.566 -2.485
267 HD21 LEU 44 HD21 LEU 44 10.082 5.416 -2.322
268 HD22 LEU 44 HD22 LEU 44 10.112 5.278 -4.080
269 HD23 LEU 44 HD23 LEU 44 8.570 5.335 -3.224
270 H LYS 45 HN LYS 45 8.009 7.393 1.216
271 HA LYS 45 HA LYS 45 7.284 10.171 1.635
272 HB2 LYS 45 HB2 LYS 45 5.874 7.927 1.957
273 HB3 LYS 45 HB1 LYS 45 6.581 7.989 3.561
274 HG2 LYS 45 HG2 LYS 45 5.046 10.285 2.378
275 HG3 LYS 45 HG1 LYS 45 4.276 8.986 3.285
276 HD2 LYS 45 HD2 LYS 45 6.418 10.850 4.305
277 HD3 LYS 45 HD1 LYS 45 4.702 10.915 4.709
278 HE2 LYS 45 HE2 LYS 45 4.863 8.702 5.742
279 HE3 LYS 45 HE1 LYS 45 6.578 8.636 5.333
280 HZ1 LYS 45 HZ1 LYS 45 5.226 10.423 7.269
281 HZ2 LYS 45 HZ2 LYS 45 6.784 10.748 6.681
282 HZ3 LYS 45 HZ3 LYS 45 6.490 9.324 7.553
283 H ILE 46 HN ILE 46 9.716 8.027 2.583
284 HA ILE 46 HA ILE 46 10.309 9.538 5.028
285 HB ILE 46 HB ILE 46 11.509 6.917 4.112
286 HG12 ILE 46 HG12 ILE 46 9.398 7.430 6.221
287 HG13 ILE 46 HG11 ILE 46 9.088 6.737 4.633
288 HG21 ILE 46 HG21 ILE 46 12.341 6.779 6.423
289 HG22 ILE 46 HG22 ILE 46 11.682 8.384 6.745
290 HG23 ILE 46 HG23 ILE 46 12.985 8.183 5.572
291 HD11 ILE 46 HD11 ILE 46 9.162 5.017 6.333
292 HD12 ILE 46 HD12 ILE 46 10.784 5.522 6.803
293 HD13 ILE 46 HD13 ILE 46 10.505 4.825 5.206
294 H THR 112 H THR 112 -11.818 3.938 -11.073
295 HA THR 112 HA THR 112 -9.811 2.612 -10.738
296 HB THR 112 HB THR 112 -8.573 4.626 -12.632
297 HG1 THR 112 HG1 THR 112 -9.443 1.951 -12.925
298 HG21 THR 112 HG21 THR 112 -6.540 3.282 -12.367
299 HG22 THR 112 HG22 THR 112 -7.371 2.242 -11.211
300 HG23 THR 112 HG23 THR 112 -7.070 3.934 -10.817
301 H ALA 113 HN ALA 113 -9.711 3.194 -8.696
302 HA ALA 113 HA ALA 113 -8.615 5.786 -7.963
303 HB1 ALA 113 HB1 ALA 113 -11.026 6.217 -8.062
304 HB2 ALA 113 HB2 ALA 113 -10.434 6.294 -6.403
305 HB3 ALA 113 HB3 ALA 113 -11.316 4.871 -6.961
306 HA PRO 114 HA PRO 114 -6.704 3.512 -4.652
307 HB2 PRO 114 HB2 PRO 114 -7.752 5.558 -2.763
308 HB3 PRO 114 HB1 PRO 114 -6.094 5.006 -3.020
309 HG2 PRO 114 HG2 PRO 114 -6.889 7.373 -3.933
310 HG3 PRO 114 HG1 PRO 114 -5.793 6.353 -4.885
311 HD2 PRO 114 HD2 PRO 114 -8.725 6.831 -5.233
312 HD3 PRO 114 HD1 PRO 114 -7.455 6.651 -6.464
313 HA PRO 115 HA PRO 115 -10.191 1.077 -3.263
314 HB2 PRO 115 HB2 PRO 115 -8.649 -0.702 -1.831
315 HB3 PRO 115 HB1 PRO 115 -8.947 -0.816 -3.568
316 HG2 PRO 115 HG2 PRO 115 -6.583 0.298 -2.121
317 HG3 PRO 115 HG1 PRO 115 -6.633 -0.701 -3.585
318 HD2 PRO 115 HD2 PRO 115 -6.228 1.946 -3.707
319 HD3 PRO 115 HD1 PRO 115 -7.179 1.095 -4.944
320 H GLU 116 HN GLU 116 -11.460 1.365 -1.573
321 HA GLU 116 HA GLU 116 -10.718 2.891 0.689
322 HB2 GLU 116 HB2 GLU 116 -12.943 2.091 1.617
323 HB3 GLU 116 HB1 GLU 116 -13.018 2.939 0.083
324 HG2 GLU 116 HG2 GLU 116 -12.952 -0.055 0.201
325 HG3 GLU 116 HG1 GLU 116 -14.453 0.839 0.411
326 H TYR 117 HN TYR 117 -9.683 2.282 2.494
327 HA TYR 117 HA TYR 117 -8.808 -0.485 2.486
328 HB2 TYR 117 HB2 TYR 117 -7.171 1.432 2.641
329 HB3 TYR 117 HB1 TYR 117 -7.769 1.698 4.281
330 HD1 TYR 117 HD1 TYR 117 -7.274 0.101 6.063
331 HD2 TYR 117 HD2 TYR 117 -5.904 -0.559 2.099
332 HE1 TYR 117 HE1 TYR 117 -5.783 -1.676 6.876
333 HE2 TYR 117 HE2 TYR 117 -4.411 -2.322 2.908
334 HH TYR 117 HH TYR 117 -3.290 -2.963 5.005
335 H MET 118 HN MET 118 -9.536 -1.968 3.787
336 HA MET 118 HA MET 118 -9.537 -1.485 6.594
337 HB2 MET 118 HB2 MET 118 -11.814 -2.495 6.983
338 HB3 MET 118 HB1 MET 118 -11.841 -0.877 6.299
339 HG2 MET 118 HG2 MET 118 -12.448 -1.691 4.164
340 HG3 MET 118 HG1 MET 118 -12.106 -3.359 4.626
341 HE1 MET 118 HE1 MET 118 -13.365 -3.431 7.558
342 HE2 MET 118 HE2 MET 118 -13.550 -4.724 6.374
343 HE3 MET 118 HE3 MET 118 -14.967 -4.076 7.201
344 H GLU 119 HN GLU 119 -8.125 -3.024 7.011
345 HA GLU 119 HA GLU 119 -8.713 -5.790 6.449
346 HB2 GLU 119 HB2 GLU 119 -7.265 -4.370 4.541
347 HB3 GLU 119 HB1 GLU 119 -6.018 -5.168 5.484
348 HG2 GLU 119 HG2 GLU 119 -8.360 -6.650 4.344
349 HG3 GLU 119 HG1 GLU 119 -6.880 -6.371 3.432
350 H ALA 120 HN ALA 120 -8.352 -6.612 8.398
351 HA ALA 120 HA ALA 120 -7.454 -7.088 10.417
352 HB1 ALA 120 HB1 ALA 120 -5.032 -7.123 10.645
353 HB2 ALA 120 HB2 ALA 120 -4.864 -6.162 9.173
354 HB3 ALA 120 HB3 ALA 120 -5.521 -7.799 9.090
Start of MODEL 4
1 H PHE 12 H PHE 12 14.827 -3.530 1.622
2 HA PHE 12 HA PHE 12 12.722 -3.967 2.837
3 HB2 PHE 12 HB2 PHE 12 13.359 -2.615 4.751
4 HB3 PHE 12 HB1 PHE 12 14.810 -3.184 3.939
5 HD1 PHE 12 HD2 PHE 12 16.149 -1.595 2.564
6 HD2 PHE 12 HD1 PHE 12 12.886 -0.314 4.979
7 HE1 PHE 12 HE2 PHE 12 16.974 0.720 2.447
8 HE2 PHE 12 HE1 PHE 12 13.708 2.001 4.867
9 HZ PHE 12 HZ PHE 12 15.754 2.523 3.600
10 H LEU 13 HN LEU 13 10.644 -3.397 3.129
11 HA LEU 13 HA LEU 13 9.963 -0.562 2.716
12 HB2 LEU 13 HB2 LEU 13 7.601 -1.388 2.230
13 HB3 LEU 13 HB1 LEU 13 8.812 -1.579 0.953
14 HG LEU 13 HG LEU 13 9.002 -3.998 2.169
15 HD11 LEU 13 HD11 LEU 13 6.114 -3.176 2.402
16 HD12 LEU 13 HD12 LEU 13 7.214 -3.495 3.748
17 HD13 LEU 13 HD13 LEU 13 6.758 -4.800 2.651
18 HD21 LEU 13 HD21 LEU 13 7.013 -3.230 0.036
19 HD22 LEU 13 HD22 LEU 13 7.636 -4.852 0.338
20 HD23 LEU 13 HD23 LEU 13 8.722 -3.579 -0.222
21 HA PRO 14 HA PRO 14 8.380 -0.059 6.787
22 HB2 PRO 14 HB2 PRO 14 5.907 0.479 5.179
23 HB3 PRO 14 HB1 PRO 14 6.465 1.339 6.618
24 HG2 PRO 14 HG2 PRO 14 6.938 2.429 4.317
25 HG3 PRO 14 HG1 PRO 14 8.330 2.232 5.411
26 HD2 PRO 14 HD2 PRO 14 7.532 0.568 3.044
27 HD3 PRO 14 HD1 PRO 14 9.141 1.128 3.520
28 H LYS 15 HN LYS 15 7.716 -1.582 8.186
29 HA LYS 15 HA LYS 15 6.762 -4.075 7.152
30 HB2 LYS 15 HB2 LYS 15 7.474 -3.124 9.915
31 HB3 LYS 15 HB1 LYS 15 6.894 -4.753 9.597
32 HG2 LYS 15 HG2 LYS 15 9.201 -3.718 8.027
33 HG3 LYS 15 HG1 LYS 15 9.459 -4.222 9.696
34 HD2 LYS 15 HD2 LYS 15 9.928 -6.083 8.251
35 HD3 LYS 15 HD1 LYS 15 8.439 -6.418 9.131
36 HE2 LYS 15 HE2 LYS 15 8.153 -7.094 6.850
37 HE3 LYS 15 HE1 LYS 15 7.157 -5.672 7.146
38 HZ1 LYS 15 HZ1 LYS 15 8.698 -4.311 5.987
39 HZ2 LYS 15 HZ2 LYS 15 8.409 -5.666 5.010
40 HZ3 LYS 15 HZ3 LYS 15 9.849 -5.552 5.901
41 H GLY 16 HN GLY 16 4.982 -1.469 7.640
42 HA2 GLY 16 HA2 GLY 16 2.718 -2.947 8.786
43 HA3 GLY 16 HA1 GLY 16 2.775 -1.209 8.516
44 H TRP 17 HN TRP 17 4.105 -2.180 5.818
45 HA TRP 17 HA TRP 17 1.521 -2.034 4.427
46 HB2 TRP 17 HB2 TRP 17 4.283 -1.121 3.637
47 HB3 TRP 17 HB1 TRP 17 2.923 -1.098 2.538
48 HD1 TRP 17 HD1 TRP 17 4.144 0.504 5.767
49 HE1 TRP 17 HE1 TRP 17 3.089 2.835 6.010
50 HE3 TRP 17 HE3 TRP 17 0.811 0.309 1.862
51 HZ2 TRP 17 HZ2 TRP 17 1.125 4.385 4.722
52 HZ3 TRP 17 HZ3 TRP 17 -0.583 2.263 1.447
53 HH2 TRP 17 HH2 TRP 17 -0.457 4.253 2.851
54 H GLU 18 HN GLU 18 0.898 -3.572 3.130
55 HA GLU 18 HA GLU 18 2.786 -5.649 2.239
56 HB2 GLU 18 HB2 GLU 18 0.919 -6.489 3.588
57 HB3 GLU 18 HB1 GLU 18 -0.230 -5.678 2.538
58 HG2 GLU 18 HG2 GLU 18 -0.156 -8.060 2.097
59 HG3 GLU 18 HG1 GLU 18 0.389 -7.136 0.700
60 H VAL 19 HN VAL 19 2.696 -6.294 0.005
61 HA VAL 19 HA VAL 19 1.709 -4.134 -1.744
62 HB VAL 19 HB VAL 19 3.708 -6.279 -2.480
63 HG11 VAL 19 HG11 VAL 19 4.280 -4.734 -4.305
64 HG12 VAL 19 HG12 VAL 19 3.003 -3.643 -3.765
65 HG13 VAL 19 HG13 VAL 19 2.594 -5.249 -4.371
66 HG21 VAL 19 HG21 VAL 19 4.585 -4.936 -0.622
67 HG22 VAL 19 HG22 VAL 19 4.284 -3.468 -1.552
68 HG23 VAL 19 HG23 VAL 19 5.471 -4.643 -2.120
69 H ARG 20 HN ARG 20 -0.291 -4.630 -2.430
70 HA ARG 20 HA ARG 20 -0.791 -7.391 -3.342
71 HB2 ARG 20 HB2 ARG 20 -2.268 -6.576 -1.511
72 HB3 ARG 20 HB1 ARG 20 -2.822 -5.285 -2.568
73 HG2 ARG 20 HG2 ARG 20 -3.675 -6.989 -4.141
74 HG3 ARG 20 HG1 ARG 20 -3.202 -8.243 -2.994
75 HD2 ARG 20 HD2 ARG 20 -5.170 -6.020 -2.473
76 HD3 ARG 20 HD1 ARG 20 -5.584 -7.695 -2.819
77 HE ARG 20 HE ARG 20 -3.920 -7.776 -0.622
78 HH11 ARG 20 HH11 ARG 20 -7.015 -6.321 -1.412
79 HH12 ARG 20 HH12 ARG 20 -7.606 -6.410 0.226
80 HH21 ARG 20 HH21 ARG 20 -4.736 -7.883 1.540
81 HH22 ARG 20 HH22 ARG 20 -6.337 -7.286 1.875
82 H HIS 21 HN HIS 21 -1.141 -7.734 -5.456
83 HA HIS 21 HA HIS 21 -0.974 -5.403 -7.204
84 HB2 HIS 21 HB2 HIS 21 0.419 -7.568 -7.447
85 HB3 HIS 21 HB1 HIS 21 -1.049 -8.275 -8.111
86 HD1 HIS 21 HD1 HIS 21 -1.861 -7.374 -10.432
87 HD2 HIS 21 HD2 HIS 21 1.784 -5.844 -9.131
88 HE1 HIS 21 HE1 HIS 21 -0.827 -6.259 -12.438
89 HE2 HIS 21 HE2 HIS 21 1.469 -5.550 -11.679
90 H ALA 22 HN ALA 22 -2.689 -4.519 -8.077
91 HA ALA 22 HA ALA 22 -5.251 -5.926 -7.935
92 HB1 ALA 22 HB1 ALA 22 -5.011 -3.709 -6.860
93 HB2 ALA 22 HB2 ALA 22 -6.265 -3.744 -8.100
94 HB3 ALA 22 HB3 ALA 22 -4.701 -3.005 -8.445
95 HA PRO 23 HA PRO 23 -5.747 -6.279 -12.352
96 HB2 PRO 23 HB2 PRO 23 -8.445 -5.108 -12.154
97 HB3 PRO 23 HB1 PRO 23 -7.956 -6.723 -12.671
98 HG2 PRO 23 HG2 PRO 23 -9.180 -6.327 -10.327
99 HG3 PRO 23 HG1 PRO 23 -7.900 -7.543 -10.510
100 HD2 PRO 23 HD2 PRO 23 -7.741 -4.787 -9.330
101 HD3 PRO 23 HD1 PRO 23 -7.034 -6.307 -8.740
102 H ASN 24 HN ASN 24 -5.350 -3.416 -10.919
103 HA ASN 24 HA ASN 24 -6.013 -1.623 -13.074
104 HB2 ASN 24 HB2 ASN 24 -4.519 -1.331 -10.488
105 HB3 ASN 24 HB1 ASN 24 -4.488 -0.054 -11.697
106 HD21 ASN 24 HD21 ASN 24 -7.298 -2.074 -11.198
107 HD22 ASN 24 HD22 ASN 24 -8.289 -0.840 -10.498
108 H GLY 25 HN GLY 25 -3.998 -4.042 -13.150
109 HA2 GLY 25 HA2 GLY 25 -1.917 -4.526 -14.000
110 HA3 GLY 25 HA1 GLY 25 -2.039 -3.000 -14.881
111 H ARG 26 HN ARG 26 -2.303 -3.218 -11.439
112 HA ARG 26 HA ARG 26 0.287 -1.982 -11.033
113 HB2 ARG 26 HB2 ARG 26 -1.129 -0.114 -11.737
114 HB3 ARG 26 HB1 ARG 26 -2.329 -0.531 -10.528
115 HG2 ARG 26 HG2 ARG 26 -0.931 0.160 -8.795
116 HG3 ARG 26 HG1 ARG 26 0.508 0.121 -9.815
117 HD2 ARG 26 HD2 ARG 26 -0.464 1.999 -11.134
118 HD3 ARG 26 HD1 ARG 26 -1.772 2.088 -9.950
119 HE ARG 26 HE ARG 26 0.440 2.215 -8.422
120 HH11 ARG 26 HH11 ARG 26 -0.748 4.090 -11.130
121 HH12 ARG 26 HH12 ARG 26 0.250 5.469 -10.771
122 HH21 ARG 26 HH21 ARG 26 1.732 4.024 -7.939
123 HH22 ARG 26 HH22 ARG 26 1.643 5.440 -8.942
124 HA PRO 27 HA PRO 27 -0.615 -3.822 -7.037
125 HB2 PRO 27 HB2 PRO 27 1.896 -3.474 -6.018
126 HB3 PRO 27 HB1 PRO 27 1.456 -4.794 -7.090
127 HG2 PRO 27 HG2 PRO 27 3.147 -2.489 -7.616
128 HG3 PRO 27 HG1 PRO 27 2.950 -3.969 -8.564
129 HD2 PRO 27 HD2 PRO 27 1.795 -1.356 -9.023
130 HD3 PRO 27 HD1 PRO 27 1.727 -2.797 -10.053
131 H PHE 28 HN PHE 28 -1.586 -2.779 -5.383
132 HA PHE 28 HA PHE 28 -0.654 -0.083 -4.746
133 HB2 PHE 28 HB2 PHE 28 -2.759 0.188 -3.461
134 HB3 PHE 28 HB1 PHE 28 -3.023 -0.127 -5.165
135 HD1 PHE 28 HD1 PHE 28 -2.721 -2.113 -2.000
136 HD2 PHE 28 HD2 PHE 28 -4.801 -1.466 -5.653
137 HE1 PHE 28 HE1 PHE 28 -4.324 -3.878 -1.397
138 HE2 PHE 28 HE2 PHE 28 -6.404 -3.233 -5.055
139 HZ PHE 28 HZ PHE 28 -6.164 -4.441 -2.928
140 H PHE 29 HN PHE 29 -0.140 0.506 -2.659
141 HA PHE 29 HA PHE 29 0.923 -1.674 -1.025
142 HB2 PHE 29 HB2 PHE 29 1.392 1.318 -0.933
143 HB3 PHE 29 HB1 PHE 29 2.249 0.119 0.034
144 HD1 PHE 29 HD1 PHE 29 3.805 -1.425 -1.011
145 HD2 PHE 29 HD2 PHE 29 1.871 1.644 -3.247
146 HE1 PHE 29 HE1 PHE 29 5.385 -1.795 -2.856
147 HE2 PHE 29 HE2 PHE 29 3.462 1.279 -5.105
148 HZ PHE 29 HZ PHE 29 5.206 -0.460 -4.911
149 H ILE 30 HN ILE 30 0.207 -2.063 1.058
150 HA ILE 30 HA ILE 30 -1.808 -0.206 2.027
151 HB ILE 30 HB ILE 30 -3.235 -2.217 2.701
152 HG12 ILE 30 HG12 ILE 30 -1.505 -3.585 0.632
153 HG13 ILE 30 HG11 ILE 30 -1.482 -3.924 2.360
154 HG21 ILE 30 HG21 ILE 30 -2.886 -1.637 -0.233
155 HG22 ILE 30 HG22 ILE 30 -3.872 -0.717 0.905
156 HG23 ILE 30 HG23 ILE 30 -4.302 -2.383 0.512
157 HD11 ILE 30 HD11 ILE 30 -2.751 -5.594 1.138
158 HD12 ILE 30 HD12 ILE 30 -3.821 -4.340 0.512
159 HD13 ILE 30 HD13 ILE 30 -3.790 -4.693 2.240
160 H ASP 31 HN ASP 31 -1.525 0.377 4.027
161 HA ASP 31 HA ASP 31 0.168 -1.207 5.788
162 HB2 ASP 31 HB2 ASP 31 0.586 1.190 5.672
163 HB3 ASP 31 HB1 ASP 31 -1.075 1.524 6.159
164 H HIS 32 HN HIS 32 -0.515 -2.326 7.507
165 HA HIS 32 HA HIS 32 -3.398 -2.717 7.689
166 HB2 HIS 32 HB2 HIS 32 -1.044 -4.343 8.594
167 HB3 HIS 32 HB1 HIS 32 -2.674 -4.699 9.155
168 HD1 HIS 32 HD1 HIS 32 -4.141 -6.045 7.640
169 HD2 HIS 32 HD2 HIS 32 -0.731 -4.623 5.721
170 HE1 HIS 32 HE1 HIS 32 -4.157 -7.089 5.353
171 HE2 HIS 32 HE2 HIS 32 -1.930 -6.473 4.362
172 H ASN 33 HN ASN 33 -1.128 -0.921 9.471
173 HA ASN 33 HA ASN 33 -2.709 -1.379 11.915
174 HB2 ASN 33 HB2 ASN 33 -0.892 -0.902 13.293
175 HB3 ASN 33 HB1 ASN 33 -0.214 -1.870 12.005
176 HD21 ASN 33 HD21 ASN 33 0.115 0.181 10.043
177 HD22 ASN 33 HD22 ASN 33 1.346 1.241 10.627
178 H THR 34 HN THR 34 -2.059 0.873 9.518
179 HA THR 34 HA THR 34 -3.259 3.008 11.161
180 HB THR 34 HB THR 34 -1.720 3.499 8.619
181 HG1 THR 34 HG1 THR 34 -0.266 2.401 9.933
182 HG21 THR 34 HG21 THR 34 -3.069 5.327 9.575
183 HG22 THR 34 HG22 THR 34 -1.343 5.685 9.628
184 HG23 THR 34 HG23 THR 34 -2.182 5.170 11.091
185 H LYS 35 HN LYS 35 -3.838 0.815 8.727
186 HA LYS 35 HA LYS 35 -5.343 0.534 7.093
187 HB2 LYS 35 HB2 LYS 35 -6.792 2.279 9.029
188 HB3 LYS 35 HB1 LYS 35 -7.534 1.975 7.466
189 HG2 LYS 35 HG2 LYS 35 -8.367 0.407 9.103
190 HG3 LYS 35 HG1 LYS 35 -7.416 -0.440 7.885
191 HD2 LYS 35 HD2 LYS 35 -5.496 -0.463 9.431
192 HD3 LYS 35 HD1 LYS 35 -6.489 0.336 10.652
193 HE2 LYS 35 HE2 LYS 35 -8.013 -1.556 10.684
194 HE3 LYS 35 HE1 LYS 35 -7.092 -2.349 9.409
195 HZ1 LYS 35 HZ1 LYS 35 -6.503 -3.281 11.528
196 HZ2 LYS 35 HZ2 LYS 35 -6.146 -1.752 12.164
197 HZ3 LYS 35 HZ3 LYS 35 -5.177 -2.404 10.935
198 H THR 36 HN THR 36 -3.883 1.460 5.554
199 HA THR 36 HA THR 36 -5.032 3.764 4.203
200 HB THR 36 HB THR 36 -2.548 4.614 3.923
201 HG1 THR 36 HG1 THR 36 -2.515 3.068 6.289
202 HG21 THR 36 HG21 THR 36 -4.373 5.947 4.862
203 HG22 THR 36 HG22 THR 36 -2.884 6.178 5.777
204 HG23 THR 36 HG23 THR 36 -4.163 5.148 6.419
205 H THR 37 HN THR 37 -4.476 3.922 2.015
206 HA THR 37 HA THR 37 -2.809 1.760 0.914
207 HB THR 37 HB THR 37 -5.428 2.703 -0.286
208 HG1 THR 37 HG1 THR 37 -4.829 0.765 1.563
209 HG21 THR 37 HG21 THR 37 -3.794 1.957 -1.954
210 HG22 THR 37 HG22 THR 37 -5.128 0.810 -1.820
211 HG23 THR 37 HG23 THR 37 -3.575 0.449 -1.068
212 H THR 38 HN THR 38 -1.368 2.430 -0.594
213 HA THR 38 HA THR 38 -1.856 4.944 -1.993
214 HB THR 38 HB THR 38 -0.380 5.551 -0.134
215 HG1 THR 38 HG1 THR 38 1.149 6.594 -1.399
216 HG21 THR 38 HG21 THR 38 1.528 3.522 -1.305
217 HG22 THR 38 HG22 THR 38 0.684 3.381 0.237
218 HG23 THR 38 HG23 THR 38 1.892 4.645 0.007
219 H TRP 39 HN TRP 39 -0.868 5.119 -4.022
220 HA TRP 39 HA TRP 39 -0.179 2.507 -5.139
221 HB2 TRP 39 HB2 TRP 39 -0.873 5.116 -6.506
222 HB3 TRP 39 HB1 TRP 39 -0.534 3.601 -7.331
223 HD1 TRP 39 HD1 TRP 39 -3.207 5.338 -5.237
224 HE1 TRP 39 HE1 TRP 39 -5.407 4.027 -5.432
225 HE3 TRP 39 HE3 TRP 39 -1.499 1.215 -7.812
226 HZ2 TRP 39 HZ2 TRP 39 -6.310 1.583 -6.496
227 HZ3 TRP 39 HZ3 TRP 39 -3.116 -0.554 -8.347
228 HH2 TRP 39 HH2 TRP 39 -5.468 -0.376 -7.715
229 H GLU 40 HN GLU 40 1.310 5.199 -3.910
230 HA GLU 40 HA GLU 40 3.709 4.830 -5.558
231 HB2 GLU 40 HB2 GLU 40 3.002 6.988 -3.561
232 HB3 GLU 40 HB1 GLU 40 4.536 6.885 -4.415
233 HG2 GLU 40 HG2 GLU 40 1.813 7.354 -5.601
234 HG3 GLU 40 HG1 GLU 40 3.152 8.495 -5.505
235 H ASP 41 HN ASP 41 5.485 3.940 -4.754
236 HA ASP 41 HA ASP 41 5.352 2.188 -2.600
237 HB2 ASP 41 HB2 ASP 41 6.909 2.006 -4.508
238 HB3 ASP 41 HB1 ASP 41 7.805 3.388 -3.896
239 HA PRO 42 HA PRO 42 5.758 5.094 0.813
240 HB2 PRO 42 HB2 PRO 42 6.075 2.562 2.325
241 HB3 PRO 42 HB1 PRO 42 4.964 3.909 2.597
242 HG2 PRO 42 HG2 PRO 42 4.090 1.614 1.576
243 HG3 PRO 42 HG1 PRO 42 3.464 3.169 0.993
244 HD2 PRO 42 HD2 PRO 42 5.461 1.337 -0.262
245 HD3 PRO 42 HD1 PRO 42 4.158 2.269 -1.024
246 H ARG 43 HN ARG 43 8.069 2.802 -0.303
247 HA ARG 43 HA ARG 43 10.118 3.231 1.605
248 HB2 ARG 43 HB2 ARG 43 10.239 2.503 -1.323
249 HB3 ARG 43 HB1 ARG 43 11.661 2.585 -0.295
250 HG2 ARG 43 HG2 ARG 43 10.944 0.774 1.018
251 HG3 ARG 43 HG1 ARG 43 9.310 0.838 0.354
252 HD2 ARG 43 HD2 ARG 43 10.604 -1.026 -0.579
253 HD3 ARG 43 HD1 ARG 43 10.137 0.138 -1.817
254 HE ARG 43 HE ARG 43 12.849 -0.042 -0.652
255 HH11 ARG 43 HH11 ARG 43 10.677 0.642 -3.319
256 HH12 ARG 43 HH12 ARG 43 11.968 0.895 -4.460
257 HH21 ARG 43 HH21 ARG 43 14.548 0.316 -2.170
258 HH22 ARG 43 HH22 ARG 43 14.151 0.719 -3.816
259 H LEU 44 HN LEU 44 8.809 5.216 -0.868
260 HA LEU 44 HA LEU 44 11.110 6.926 -1.133
261 HB2 LEU 44 HB2 LEU 44 8.247 7.369 -1.976
262 HB3 LEU 44 HB1 LEU 44 9.612 8.361 -2.448
263 HG LEU 44 HG LEU 44 9.236 5.455 -3.180
264 HD11 LEU 44 HD11 LEU 44 8.944 7.956 -4.833
265 HD12 LEU 44 HD12 LEU 44 7.635 6.898 -4.303
266 HD13 LEU 44 HD13 LEU 44 8.847 6.301 -5.436
267 HD21 LEU 44 HD21 LEU 44 11.321 7.456 -4.044
268 HD22 LEU 44 HD22 LEU 44 11.136 5.820 -4.674
269 HD23 LEU 44 HD23 LEU 44 11.588 6.069 -2.988
270 H LYS 45 HN LYS 45 8.644 6.577 1.150
271 HA LYS 45 HA LYS 45 8.564 9.400 1.868
272 HB2 LYS 45 HB2 LYS 45 7.048 7.006 2.904
273 HB3 LYS 45 HB1 LYS 45 6.892 8.620 3.587
274 HG2 LYS 45 HG2 LYS 45 6.153 9.437 1.369
275 HG3 LYS 45 HG1 LYS 45 6.204 7.775 0.779
276 HD2 LYS 45 HD2 LYS 45 3.935 8.471 1.437
277 HD3 LYS 45 HD1 LYS 45 4.526 7.114 2.396
278 HE2 LYS 45 HE2 LYS 45 3.393 8.752 3.803
279 HE3 LYS 45 HE1 LYS 45 5.101 8.635 4.214
280 HZ1 LYS 45 HZ1 LYS 45 5.513 10.658 2.949
281 HZ2 LYS 45 HZ2 LYS 45 4.354 10.928 4.156
282 HZ3 LYS 45 HZ3 LYS 45 3.866 10.761 2.543
283 H ILE 46 HN ILE 46 10.485 6.800 2.577
284 HA ILE 46 HA ILE 46 11.151 7.927 5.202
285 HB ILE 46 HB ILE 46 10.222 5.751 5.553
286 HG12 ILE 46 HG12 ILE 46 13.233 5.592 5.777
287 HG13 ILE 46 HG11 ILE 46 12.158 6.369 6.936
288 HG21 ILE 46 HG21 ILE 46 11.121 3.712 4.555
289 HG22 ILE 46 HG22 ILE 46 12.232 4.677 3.583
290 HG23 ILE 46 HG23 ILE 46 10.492 4.814 3.331
291 HD11 ILE 46 HD11 ILE 46 12.873 4.168 7.696
292 HD12 ILE 46 HD12 ILE 46 12.179 3.438 6.248
293 HD13 ILE 46 HD13 ILE 46 11.131 4.217 7.432
294 H THR 112 H THR 112 -10.936 2.593 -12.218
295 HA THR 112 HA THR 112 -8.981 2.491 -10.845
296 HB THR 112 HB THR 112 -8.781 4.906 -12.651
297 HG1 THR 112 HG1 THR 112 -8.364 3.217 -14.304
298 HG21 THR 112 HG21 THR 112 -6.538 4.028 -13.104
299 HG22 THR 112 HG22 THR 112 -6.842 2.674 -12.016
300 HG23 THR 112 HG23 THR 112 -6.762 4.316 -11.379
301 H ALA 113 HN ALA 113 -9.351 3.069 -8.687
302 HA ALA 113 HA ALA 113 -8.337 5.646 -7.898
303 HB1 ALA 113 HB1 ALA 113 -11.187 4.903 -7.206
304 HB2 ALA 113 HB2 ALA 113 -10.694 6.188 -8.310
305 HB3 ALA 113 HB3 ALA 113 -10.302 6.303 -6.596
306 HA PRO 114 HA PRO 114 -6.954 3.397 -4.333
307 HB2 PRO 114 HB2 PRO 114 -8.075 5.562 -2.631
308 HB3 PRO 114 HB1 PRO 114 -6.428 4.924 -2.699
309 HG2 PRO 114 HG2 PRO 114 -7.001 7.295 -3.760
310 HG3 PRO 114 HG1 PRO 114 -5.873 6.187 -4.566
311 HD2 PRO 114 HD2 PRO 114 -8.734 6.784 -5.211
312 HD3 PRO 114 HD1 PRO 114 -7.363 6.523 -6.309
313 HA PRO 115 HA PRO 115 -10.756 1.359 -3.061
314 HB2 PRO 115 HB2 PRO 115 -9.553 -0.740 -1.846
315 HB3 PRO 115 HB1 PRO 115 -9.669 -0.607 -3.607
316 HG2 PRO 115 HG2 PRO 115 -7.366 0.059 -1.806
317 HG3 PRO 115 HG1 PRO 115 -7.364 -0.831 -3.341
318 HD2 PRO 115 HD2 PRO 115 -6.673 1.777 -3.178
319 HD3 PRO 115 HD1 PRO 115 -7.482 1.096 -4.604
320 H GLU 116 HN GLU 116 -11.939 1.511 -1.194
321 HA GLU 116 HA GLU 116 -10.917 2.940 1.017
322 HB2 GLU 116 HB2 GLU 116 -13.034 2.345 2.157
323 HB3 GLU 116 HB1 GLU 116 -13.283 3.008 0.552
324 HG2 GLU 116 HG2 GLU 116 -13.250 0.053 1.026
325 HG3 GLU 116 HG1 GLU 116 -14.702 1.015 1.286
326 H TYR 117 HN TYR 117 -9.795 2.277 2.745
327 HA TYR 117 HA TYR 117 -9.071 -0.554 2.700
328 HB2 TYR 117 HB2 TYR 117 -7.286 1.201 2.506
329 HB3 TYR 117 HB1 TYR 117 -7.661 1.675 4.162
330 HD1 TYR 117 HD1 TYR 117 -7.219 0.119 6.027
331 HD2 TYR 117 HD2 TYR 117 -6.058 -0.798 2.048
332 HE1 TYR 117 HE1 TYR 117 -5.718 -1.635 6.875
333 HE2 TYR 117 HE2 TYR 117 -4.559 -2.551 2.883
334 HH TYR 117 HH TYR 117 -3.352 -3.084 4.944
335 H MET 118 HN MET 118 -9.943 -1.863 4.100
336 HA MET 118 HA MET 118 -9.769 -1.189 6.899
337 HB2 MET 118 HB2 MET 118 -12.062 -0.492 6.242
338 HB3 MET 118 HB1 MET 118 -12.401 -2.132 5.720
339 HG2 MET 118 HG2 MET 118 -13.327 -1.642 7.937
340 HG3 MET 118 HG1 MET 118 -12.138 -2.943 7.979
341 HE1 MET 118 HE1 MET 118 -13.044 -1.653 10.620
342 HE2 MET 118 HE2 MET 118 -11.511 -1.342 11.437
343 HE3 MET 118 HE3 MET 118 -11.741 -2.839 10.532
344 H GLU 119 HN GLU 119 -8.197 -2.639 5.609
345 HA GLU 119 HA GLU 119 -8.923 -5.464 5.691
346 HB2 GLU 119 HB2 GLU 119 -6.327 -4.124 4.883
347 HB3 GLU 119 HB1 GLU 119 -6.680 -5.840 4.721
348 HG2 GLU 119 HG2 GLU 119 -8.311 -3.713 3.368
349 HG3 GLU 119 HG1 GLU 119 -6.880 -4.434 2.636
350 H ALA 120 HN ALA 120 -8.662 -6.578 7.503
351 HA ALA 120 HA ALA 120 -6.992 -5.592 9.645
352 HB1 ALA 120 HB1 ALA 120 -9.159 -6.633 10.135
353 HB2 ALA 120 HB2 ALA 120 -7.833 -7.506 10.903
354 HB3 ALA 120 HB3 ALA 120 -8.584 -8.150 9.444
Start of MODEL 5
1 H PHE 12 H PHE 12 12.772 -5.325 -1.420
2 HA PHE 12 HA PHE 12 11.883 -5.243 0.837
3 HB2 PHE 12 HB2 PHE 12 13.642 -3.754 1.751
4 HB3 PHE 12 HB1 PHE 12 14.247 -4.817 0.492
5 HD1 PHE 12 HD1 PHE 12 14.807 -3.905 -1.734
6 HD2 PHE 12 HD2 PHE 12 13.670 -1.387 1.504
7 HE1 PHE 12 HE1 PHE 12 15.749 -1.963 -2.916
8 HE2 PHE 12 HE2 PHE 12 14.604 0.559 0.326
9 HZ PHE 12 HZ PHE 12 15.645 0.270 -1.886
10 H LEU 13 HN LEU 13 10.318 -4.451 2.046
11 HA LEU 13 HA LEU 13 9.925 -1.619 2.238
12 HB2 LEU 13 HB2 LEU 13 7.448 -1.745 1.783
13 HB3 LEU 13 HB1 LEU 13 8.497 -1.806 0.393
14 HG LEU 13 HG LEU 13 6.522 -3.260 0.192
15 HD11 LEU 13 HD11 LEU 13 8.488 -3.828 -1.080
16 HD12 LEU 13 HD12 LEU 13 7.652 -5.289 -0.553
17 HD13 LEU 13 HD13 LEU 13 9.121 -4.766 0.271
18 HD21 LEU 13 HD21 LEU 13 7.721 -4.803 2.473
19 HD22 LEU 13 HD22 LEU 13 6.361 -5.324 1.476
20 HD23 LEU 13 HD23 LEU 13 6.211 -3.892 2.495
21 HA PRO 14 HA PRO 14 8.849 -1.984 6.478
22 HB2 PRO 14 HB2 PRO 14 6.130 -1.106 5.608
23 HB3 PRO 14 HB1 PRO 14 7.087 -0.554 6.982
24 HG2 PRO 14 HG2 PRO 14 6.959 0.877 4.741
25 HG3 PRO 14 HG1 PRO 14 8.466 0.748 5.664
26 HD2 PRO 14 HD2 PRO 14 7.762 -0.429 3.056
27 HD3 PRO 14 HD1 PRO 14 9.354 -0.086 3.750
28 H LYS 15 HN LYS 15 7.904 -3.330 7.929
29 HA LYS 15 HA LYS 15 6.736 -5.761 7.003
30 HB2 LYS 15 HB2 LYS 15 8.139 -5.745 8.972
31 HB3 LYS 15 HB1 LYS 15 7.088 -4.588 9.767
32 HG2 LYS 15 HG2 LYS 15 5.297 -6.296 9.800
33 HG3 LYS 15 HG1 LYS 15 6.439 -7.454 9.115
34 HD2 LYS 15 HD2 LYS 15 6.884 -5.968 11.701
35 HD3 LYS 15 HD1 LYS 15 6.192 -7.588 11.598
36 HE2 LYS 15 HE2 LYS 15 8.856 -6.902 10.393
37 HE3 LYS 15 HE1 LYS 15 8.689 -7.415 12.073
38 HZ1 LYS 15 HZ1 LYS 15 9.200 -9.199 10.375
39 HZ2 LYS 15 HZ2 LYS 15 7.598 -9.020 9.835
40 HZ3 LYS 15 HZ3 LYS 15 7.908 -9.500 11.432
41 H GLY 16 HN GLY 16 5.487 -2.710 7.963
42 HA2 GLY 16 HA2 GLY 16 2.863 -3.675 8.688
43 HA3 GLY 16 HA1 GLY 16 3.369 -1.996 8.572
44 H TRP 17 HN TRP 17 4.437 -2.652 5.793
45 HA TRP 17 HA TRP 17 1.852 -2.291 4.452
46 HB2 TRP 17 HB2 TRP 17 4.637 -1.498 3.589
47 HB3 TRP 17 HB1 TRP 17 3.221 -1.355 2.565
48 HD1 TRP 17 HD1 TRP 17 4.702 0.115 5.799
49 HE1 TRP 17 HE1 TRP 17 3.774 2.475 6.128
50 HE3 TRP 17 HE3 TRP 17 1.232 0.199 1.983
51 HZ2 TRP 17 HZ2 TRP 17 1.881 4.173 4.933
52 HZ3 TRP 17 HZ3 TRP 17 -0.048 2.249 1.657
53 HH2 TRP 17 HH2 TRP 17 0.251 4.191 3.104
54 H GLU 18 HN GLU 18 1.158 -3.699 3.001
55 HA GLU 18 HA GLU 18 2.974 -5.826 2.082
56 HB2 GLU 18 HB2 GLU 18 1.141 -6.653 3.486
57 HB3 GLU 18 HB1 GLU 18 -0.034 -5.847 2.458
58 HG2 GLU 18 HG2 GLU 18 0.075 -8.253 2.049
59 HG3 GLU 18 HG1 GLU 18 0.505 -7.305 0.627
60 H VAL 19 HN VAL 19 2.812 -6.439 -0.146
61 HA VAL 19 HA VAL 19 1.802 -4.238 -1.828
62 HB VAL 19 HB VAL 19 3.820 -6.344 -2.613
63 HG11 VAL 19 HG11 VAL 19 4.346 -4.802 -4.436
64 HG12 VAL 19 HG12 VAL 19 3.086 -3.705 -3.872
65 HG13 VAL 19 HG13 VAL 19 2.657 -5.305 -4.480
66 HG21 VAL 19 HG21 VAL 19 4.719 -5.038 -0.773
67 HG22 VAL 19 HG22 VAL 19 4.324 -3.544 -1.620
68 HG23 VAL 19 HG23 VAL 19 5.543 -4.634 -2.280
69 H ARG 20 HN ARG 20 -0.281 -4.837 -2.243
70 HA ARG 20 HA ARG 20 -0.734 -7.537 -3.330
71 HB2 ARG 20 HB2 ARG 20 -2.124 -6.806 -1.378
72 HB3 ARG 20 HB1 ARG 20 -2.784 -5.521 -2.380
73 HG2 ARG 20 HG2 ARG 20 -3.714 -7.190 -3.909
74 HG3 ARG 20 HG1 ARG 20 -3.053 -8.478 -2.901
75 HD2 ARG 20 HD2 ARG 20 -5.094 -6.430 -2.030
76 HD3 ARG 20 HD1 ARG 20 -5.440 -8.102 -2.465
77 HE ARG 20 HE ARG 20 -3.549 -8.240 -0.466
78 HH11 ARG 20 HH11 ARG 20 -6.775 -6.921 -0.820
79 HH12 ARG 20 HH12 ARG 20 -7.196 -7.119 0.856
80 HH21 ARG 20 HH21 ARG 20 -4.087 -8.519 1.749
81 HH22 ARG 20 HH22 ARG 20 -5.669 -8.045 2.316
82 H HIS 21 HN HIS 21 -1.771 -7.788 -5.347
83 HA HIS 21 HA HIS 21 -1.515 -5.426 -7.063
84 HB2 HIS 21 HB2 HIS 21 -0.544 -7.823 -7.540
85 HB3 HIS 21 HB1 HIS 21 -2.181 -8.154 -8.099
86 HD1 HIS 21 HD1 HIS 21 -2.942 -7.036 -10.294
87 HD2 HIS 21 HD2 HIS 21 0.933 -6.064 -9.133
88 HE1 HIS 21 HE1 HIS 21 -1.903 -5.863 -12.267
89 HE2 HIS 21 HE2 HIS 21 0.515 -5.593 -11.634
90 H ALA 22 HN ALA 22 -3.223 -4.374 -7.837
91 HA ALA 22 HA ALA 22 -5.898 -5.465 -7.276
92 HB1 ALA 22 HB1 ALA 22 -5.380 -3.307 -6.237
93 HB2 ALA 22 HB2 ALA 22 -6.673 -3.148 -7.428
94 HB3 ALA 22 HB3 ALA 22 -5.038 -2.623 -7.823
95 HA PRO 23 HA PRO 23 -6.978 -5.711 -11.609
96 HB2 PRO 23 HB2 PRO 23 -9.477 -4.601 -11.643
97 HB3 PRO 23 HB1 PRO 23 -9.138 -6.233 -11.056
98 HG2 PRO 23 HG2 PRO 23 -9.497 -3.697 -9.505
99 HG3 PRO 23 HG1 PRO 23 -10.140 -5.316 -9.168
100 HD2 PRO 23 HD2 PRO 23 -7.988 -4.353 -7.878
101 HD3 PRO 23 HD1 PRO 23 -8.129 -6.071 -8.300
102 H ASN 24 HN ASN 24 -6.213 -2.923 -10.137
103 HA ASN 24 HA ASN 24 -6.903 -1.014 -12.168
104 HB2 ASN 24 HB2 ASN 24 -5.176 -0.903 -9.716
105 HB3 ASN 24 HB1 ASN 24 -5.287 0.445 -10.844
106 HD21 ASN 24 HD21 ASN 24 -6.972 -1.441 -8.456
107 HD22 ASN 24 HD22 ASN 24 -8.321 -0.371 -8.264
108 H GLY 25 HN GLY 25 -5.120 -3.533 -12.562
109 HA2 GLY 25 HA2 GLY 25 -3.203 -4.123 -13.689
110 HA3 GLY 25 HA1 GLY 25 -3.363 -2.573 -14.517
111 H ARG 26 HN ARG 26 -2.958 -3.141 -11.083
112 HA ARG 26 HA ARG 26 -0.361 -1.897 -11.069
113 HB2 ARG 26 HB2 ARG 26 -1.809 0.029 -11.392
114 HB3 ARG 26 HB1 ARG 26 -2.831 -0.459 -10.052
115 HG2 ARG 26 HG2 ARG 26 -1.300 0.266 -8.506
116 HG3 ARG 26 HG1 ARG 26 0.077 -0.010 -9.576
117 HD2 ARG 26 HD2 ARG 26 -0.767 1.901 -10.973
118 HD3 ARG 26 HD1 ARG 26 -1.916 2.240 -9.677
119 HE ARG 26 HE ARG 26 0.159 2.411 -8.231
120 HH11 ARG 26 HH11 ARG 26 0.135 3.171 -11.640
121 HH12 ARG 26 HH12 ARG 26 1.440 4.310 -11.548
122 HH21 ARG 26 HH21 ARG 26 1.900 3.911 -8.083
123 HH22 ARG 26 HH22 ARG 26 2.450 4.735 -9.518
124 HA PRO 27 HA PRO 27 -0.596 -3.816 -6.962
125 HB2 PRO 27 HB2 PRO 27 2.088 -3.084 -6.399
126 HB3 PRO 27 HB1 PRO 27 1.518 -4.650 -6.960
127 HG2 PRO 27 HG2 PRO 27 3.133 -2.900 -8.401
128 HG3 PRO 27 HG1 PRO 27 2.227 -4.261 -9.072
129 HD2 PRO 27 HD2 PRO 27 1.572 -1.355 -9.089
130 HD3 PRO 27 HD1 PRO 27 1.232 -2.612 -10.298
131 H PHE 28 HN PHE 28 -1.251 -2.907 -5.119
132 HA PHE 28 HA PHE 28 -0.506 -0.108 -4.618
133 HB2 PHE 28 HB2 PHE 28 -2.636 0.140 -3.419
134 HB3 PHE 28 HB1 PHE 28 -2.892 -0.340 -5.088
135 HD1 PHE 28 HD2 PHE 28 -3.171 -2.948 -5.447
136 HD2 PHE 28 HD1 PHE 28 -3.815 -0.913 -1.773
137 HE1 PHE 28 HE2 PHE 28 -4.611 -4.791 -4.683
138 HE2 PHE 28 HE1 PHE 28 -5.259 -2.748 -1.001
139 HZ PHE 28 HZ PHE 28 -5.657 -4.691 -2.460
140 H PHE 29 HN PHE 29 0.240 0.441 -2.626
141 HA PHE 29 HA PHE 29 1.253 -1.743 -0.983
142 HB2 PHE 29 HB2 PHE 29 1.768 1.239 -0.905
143 HB3 PHE 29 HB1 PHE 29 2.619 0.033 0.059
144 HD1 PHE 29 HD2 PHE 29 4.210 -1.474 -0.966
145 HD2 PHE 29 HD1 PHE 29 2.186 1.496 -3.249
146 HE1 PHE 29 HE2 PHE 29 5.791 -1.831 -2.811
147 HE2 PHE 29 HE1 PHE 29 3.768 1.138 -5.109
148 HZ PHE 29 HZ PHE 29 5.563 -0.537 -4.890
149 H ILE 30 HN ILE 30 0.633 -2.101 1.159
150 HA ILE 30 HA ILE 30 -1.396 -0.268 2.130
151 HB ILE 30 HB ILE 30 -2.808 -2.258 2.837
152 HG12 ILE 30 HG12 ILE 30 -1.086 -3.677 0.797
153 HG13 ILE 30 HG11 ILE 30 -1.058 -3.971 2.533
154 HG21 ILE 30 HG21 ILE 30 -3.877 -2.472 0.657
155 HG22 ILE 30 HG22 ILE 30 -2.464 -1.749 -0.108
156 HG23 ILE 30 HG23 ILE 30 -3.446 -0.798 1.006
157 HD11 ILE 30 HD11 ILE 30 -3.389 -4.444 0.691
158 HD12 ILE 30 HD12 ILE 30 -3.381 -4.726 2.431
159 HD13 ILE 30 HD13 ILE 30 -2.332 -5.675 1.379
160 H ASP 31 HN ASP 31 -1.256 0.310 4.098
161 HA ASP 31 HA ASP 31 0.505 -1.098 5.959
162 HB2 ASP 31 HB2 ASP 31 0.920 1.253 5.786
163 HB3 ASP 31 HB1 ASP 31 -0.790 1.629 5.974
164 H HIS 32 HN HIS 32 -0.261 -2.334 7.536
165 HA HIS 32 HA HIS 32 -3.130 -2.557 7.917
166 HB2 HIS 32 HB2 HIS 32 -0.816 -4.092 9.104
167 HB3 HIS 32 HB1 HIS 32 -2.497 -4.411 9.500
168 HD1 HIS 32 HD1 HIS 32 -3.961 -5.513 7.630
169 HD2 HIS 32 HD2 HIS 32 0.068 -5.109 6.693
170 HE1 HIS 32 HE1 HIS 32 -3.578 -7.011 5.649
171 HE2 HIS 32 HE2 HIS 32 -1.076 -6.975 5.314
172 H ASN 33 HN ASN 33 -0.827 -0.561 9.234
173 HA ASN 33 HA ASN 33 -1.547 -0.930 12.014
174 HB2 ASN 33 HB2 ASN 33 0.274 1.119 10.741
175 HB3 ASN 33 HB1 ASN 33 0.057 0.893 12.471
176 HD21 ASN 33 HD21 ASN 33 1.566 -0.228 9.604
177 HD22 ASN 33 HD22 ASN 33 2.534 -1.465 10.346
178 H THR 34 HN THR 34 -2.097 1.476 9.486
179 HA THR 34 HA THR 34 -3.905 2.892 11.353
180 HB THR 34 HB THR 34 -2.591 4.291 9.046
181 HG1 THR 34 HG1 THR 34 -0.879 3.309 10.201
182 HG21 THR 34 HG21 THR 34 -2.778 6.226 10.552
183 HG22 THR 34 HG22 THR 34 -3.463 5.184 11.800
184 HG23 THR 34 HG23 THR 34 -4.343 5.457 10.295
185 H LYS 35 HN LYS 35 -4.106 0.820 8.943
186 HA LYS 35 HA LYS 35 -5.415 0.376 7.154
187 HB2 LYS 35 HB2 LYS 35 -7.228 2.538 8.243
188 HB3 LYS 35 HB1 LYS 35 -7.673 1.281 7.104
189 HG2 LYS 35 HG2 LYS 35 -6.947 0.921 10.001
190 HG3 LYS 35 HG1 LYS 35 -8.540 0.739 9.268
191 HD2 LYS 35 HD2 LYS 35 -7.502 -1.093 7.844
192 HD3 LYS 35 HD1 LYS 35 -6.119 -1.015 8.937
193 HE2 LYS 35 HE2 LYS 35 -8.960 -1.773 9.570
194 HE3 LYS 35 HE1 LYS 35 -7.506 -2.754 9.742
195 HZ1 LYS 35 HZ1 LYS 35 -8.339 -0.437 11.392
196 HZ2 LYS 35 HZ2 LYS 35 -6.771 -1.080 11.449
197 HZ3 LYS 35 HZ3 LYS 35 -8.095 -2.038 11.896
198 H THR 36 HN THR 36 -3.640 1.339 5.879
199 HA THR 36 HA THR 36 -4.556 3.729 4.438
200 HB THR 36 HB THR 36 -1.629 3.464 5.005
201 HG1 THR 36 HG1 THR 36 -2.179 3.486 7.085
202 HG21 THR 36 HG21 THR 36 -1.710 5.899 4.868
203 HG22 THR 36 HG22 THR 36 -3.467 5.847 4.738
204 HG23 THR 36 HG23 THR 36 -2.468 5.176 3.448
205 H THR 37 HN THR 37 -3.828 3.876 2.273
206 HA THR 37 HA THR 37 -2.198 1.679 1.255
207 HB THR 37 HB THR 37 -4.494 0.894 0.970
208 HG1 THR 37 HG1 THR 37 -2.825 0.597 -0.718
209 HG21 THR 37 HG21 THR 37 -4.916 3.410 -0.646
210 HG22 THR 37 HG22 THR 37 -5.660 3.034 0.907
211 HG23 THR 37 HG23 THR 37 -6.057 2.073 -0.516
212 H THR 38 HN THR 38 -1.040 2.171 -0.608
213 HA THR 38 HA THR 38 -1.349 4.875 -1.712
214 HB THR 38 HB THR 38 1.086 5.197 -1.726
215 HG1 THR 38 HG1 THR 38 2.325 3.532 -1.378
216 HG21 THR 38 HG21 THR 38 0.037 4.535 1.023
217 HG22 THR 38 HG22 THR 38 -0.187 6.070 0.179
218 HG23 THR 38 HG23 THR 38 1.429 5.558 0.668
219 H TRP 39 HN TRP 39 -0.896 5.066 -3.899
220 HA TRP 39 HA TRP 39 -0.400 2.588 -5.341
221 HB2 TRP 39 HB2 TRP 39 -0.955 5.394 -6.342
222 HB3 TRP 39 HB1 TRP 39 -0.745 3.988 -7.378
223 HD1 TRP 39 HD1 TRP 39 -3.317 5.839 -5.426
224 HE1 TRP 39 HE1 TRP 39 -5.560 4.584 -5.503
225 HE3 TRP 39 HE3 TRP 39 -1.713 1.395 -7.465
226 HZ2 TRP 39 HZ2 TRP 39 -6.523 2.059 -6.291
227 HZ3 TRP 39 HZ3 TRP 39 -3.377 -0.377 -7.820
228 HH2 TRP 39 HH2 TRP 39 -5.729 -0.049 -7.256
229 H GLU 40 HN GLU 40 1.285 5.109 -3.997
230 HA GLU 40 HA GLU 40 3.634 4.714 -5.710
231 HB2 GLU 40 HB2 GLU 40 4.449 6.821 -4.657
232 HB3 GLU 40 HB1 GLU 40 2.937 7.033 -5.532
233 HG2 GLU 40 HG2 GLU 40 1.748 6.778 -3.336
234 HG3 GLU 40 HG1 GLU 40 3.328 6.856 -2.558
235 H ASP 41 HN ASP 41 5.508 3.930 -4.816
236 HA ASP 41 HA ASP 41 5.412 2.519 -2.370
237 HB2 ASP 41 HB2 ASP 41 6.958 1.694 -3.943
238 HB3 ASP 41 HB1 ASP 41 7.661 3.284 -4.224
239 HA PRO 42 HA PRO 42 6.087 6.106 0.229
240 HB2 PRO 42 HB2 PRO 42 6.030 4.809 2.594
241 HB3 PRO 42 HB1 PRO 42 4.565 5.189 1.678
242 HG2 PRO 42 HG2 PRO 42 6.125 2.631 1.762
243 HG3 PRO 42 HG1 PRO 42 4.388 2.887 1.911
244 HD2 PRO 42 HD2 PRO 42 5.460 2.103 -0.407
245 HD3 PRO 42 HD1 PRO 42 4.099 3.240 -0.365
246 H ARG 43 HN ARG 43 8.130 3.376 -0.219
247 HA ARG 43 HA ARG 43 10.094 4.185 1.709
248 HB2 ARG 43 HB2 ARG 43 10.308 2.275 -0.621
249 HB3 ARG 43 HB1 ARG 43 11.579 2.547 0.570
250 HG2 ARG 43 HG2 ARG 43 8.858 1.361 1.003
251 HG3 ARG 43 HG1 ARG 43 10.431 0.610 1.282
252 HD2 ARG 43 HD2 ARG 43 9.374 3.004 2.781
253 HD3 ARG 43 HD1 ARG 43 9.301 1.345 3.365
254 HE ARG 43 HE ARG 43 11.776 1.382 3.304
255 HH11 ARG 43 HH11 ARG 43 10.001 4.404 3.486
256 HH12 ARG 43 HH12 ARG 43 11.274 5.266 4.302
257 HH21 ARG 43 HH21 ARG 43 13.446 2.481 4.382
258 HH22 ARG 43 HH22 ARG 43 13.243 4.157 4.823
259 H LEU 44 HN LEU 44 9.158 5.305 -1.304
260 HA LEU 44 HA LEU 44 11.596 6.658 -1.949
261 HB2 LEU 44 HB2 LEU 44 8.730 7.111 -2.781
262 HB3 LEU 44 HB1 LEU 44 10.066 8.075 -3.375
263 HG LEU 44 HG LEU 44 9.839 5.090 -3.760
264 HD11 LEU 44 HD11 LEU 44 8.040 6.231 -4.933
265 HD12 LEU 44 HD12 LEU 44 9.245 5.641 -6.078
266 HD13 LEU 44 HD13 LEU 44 9.197 7.351 -5.649
267 HD21 LEU 44 HD21 LEU 44 11.660 7.167 -4.978
268 HD22 LEU 44 HD22 LEU 44 11.611 5.459 -5.415
269 HD23 LEU 44 HD23 LEU 44 12.125 5.941 -3.799
270 H LYS 45 HN LYS 45 9.256 7.032 0.505
271 HA LYS 45 HA LYS 45 10.210 9.797 0.945
272 HB2 LYS 45 HB2 LYS 45 7.390 8.763 1.267
273 HB3 LYS 45 HB1 LYS 45 7.937 10.341 1.826
274 HG2 LYS 45 HG2 LYS 45 8.432 11.026 -0.423
275 HG3 LYS 45 HG1 LYS 45 8.077 9.409 -1.034
276 HD2 LYS 45 HD2 LYS 45 5.748 9.653 -0.364
277 HD3 LYS 45 HD1 LYS 45 6.096 11.255 0.297
278 HE2 LYS 45 HE2 LYS 45 6.744 12.031 -1.927
279 HE3 LYS 45 HE1 LYS 45 6.412 10.432 -2.589
280 HZ1 LYS 45 HZ1 LYS 45 4.111 10.675 -2.106
281 HZ2 LYS 45 HZ2 LYS 45 4.614 12.078 -2.921
282 HZ3 LYS 45 HZ3 LYS 45 4.375 12.117 -1.243
283 H ILE 46 HN ILE 46 11.078 10.138 2.855
284 HA ILE 46 HA ILE 46 11.647 9.964 5.048
285 HB ILE 46 HB ILE 46 9.412 7.937 5.294
286 HG12 ILE 46 HG12 ILE 46 8.602 10.173 4.675
287 HG13 ILE 46 HG11 ILE 46 8.135 9.762 6.321
288 HG21 ILE 46 HG21 ILE 46 9.598 8.312 7.710
289 HG22 ILE 46 HG22 ILE 46 10.989 9.359 7.438
290 HG23 ILE 46 HG23 ILE 46 11.085 7.644 7.038
291 HD11 ILE 46 HD11 ILE 46 10.414 11.559 5.527
292 HD12 ILE 46 HD12 ILE 46 9.947 11.150 7.178
293 HD13 ILE 46 HD13 ILE 46 8.847 12.073 6.154
294 H THR 112 H THR 112 -8.278 5.051 -13.026
295 HA THR 112 HA THR 112 -7.948 2.572 -11.460
296 HB THR 112 HB THR 112 -5.955 3.903 -10.542
297 HG1 THR 112 HG1 THR 112 -5.162 5.535 -11.826
298 HG21 THR 112 HG21 THR 112 -5.677 1.925 -11.929
299 HG22 THR 112 HG22 THR 112 -4.479 3.144 -12.364
300 HG23 THR 112 HG23 THR 112 -5.895 2.890 -13.387
301 H ALA 113 HN ALA 113 -8.514 2.691 -9.331
302 HA ALA 113 HA ALA 113 -9.353 5.282 -8.251
303 HB1 ALA 113 HB1 ALA 113 -11.473 4.361 -7.459
304 HB2 ALA 113 HB2 ALA 113 -11.112 2.829 -8.256
305 HB3 ALA 113 HB3 ALA 113 -11.365 4.286 -9.218
306 HA PRO 114 HA PRO 114 -7.178 3.724 -4.694
307 HB2 PRO 114 HB2 PRO 114 -8.299 5.407 -2.840
308 HB3 PRO 114 HB1 PRO 114 -6.987 5.871 -3.928
309 HG2 PRO 114 HG2 PRO 114 -9.927 6.378 -4.178
310 HG3 PRO 114 HG1 PRO 114 -8.571 7.474 -4.503
311 HD2 PRO 114 HD2 PRO 114 -9.872 6.224 -6.489
312 HD3 PRO 114 HD1 PRO 114 -8.121 6.512 -6.565
313 HA PRO 115 HA PRO 115 -10.317 0.970 -3.108
314 HB2 PRO 115 HB2 PRO 115 -8.249 -0.465 -1.725
315 HB3 PRO 115 HB1 PRO 115 -9.075 -0.916 -3.215
316 HG2 PRO 115 HG2 PRO 115 -6.414 -0.232 -3.063
317 HG3 PRO 115 HG1 PRO 115 -7.398 -0.113 -4.533
318 HD2 PRO 115 HD2 PRO 115 -6.610 2.028 -2.595
319 HD3 PRO 115 HD1 PRO 115 -6.725 2.094 -4.369
320 H GLU 116 HN GLU 116 -11.517 1.054 -1.312
321 HA GLU 116 HA GLU 116 -10.758 2.538 0.982
322 HB2 GLU 116 HB2 GLU 116 -12.819 1.474 1.997
323 HB3 GLU 116 HB1 GLU 116 -13.086 2.376 0.515
324 HG2 GLU 116 HG2 GLU 116 -12.626 -0.562 0.347
325 HG3 GLU 116 HG1 GLU 116 -14.189 0.031 0.901
326 H TYR 117 HN TYR 117 -9.568 1.927 2.700
327 HA TYR 117 HA TYR 117 -8.494 -0.768 2.570
328 HB2 TYR 117 HB2 TYR 117 -6.990 1.250 2.867
329 HB3 TYR 117 HB1 TYR 117 -7.653 1.401 4.492
330 HD1 TYR 117 HD2 TYR 117 -7.413 -0.623 6.064
331 HD2 TYR 117 HD1 TYR 117 -5.213 -0.213 2.457
332 HE1 TYR 117 HE2 TYR 117 -5.789 -2.271 6.880
333 HE2 TYR 117 HE1 TYR 117 -3.592 -1.868 3.263
334 HH TYR 117 HH TYR 117 -2.793 -2.771 5.399
335 H MET 118 HN MET 118 -9.395 -2.340 3.653
336 HA MET 118 HA MET 118 -9.437 -2.052 6.513
337 HB2 MET 118 HB2 MET 118 -11.761 -1.516 5.995
338 HB3 MET 118 HB1 MET 118 -11.931 -3.002 5.074
339 HG2 MET 118 HG2 MET 118 -11.622 -4.316 7.081
340 HG3 MET 118 HG1 MET 118 -11.326 -2.855 8.021
341 HE1 MET 118 HE1 MET 118 -15.390 -3.869 6.088
342 HE2 MET 118 HE2 MET 118 -13.985 -4.932 6.002
343 HE3 MET 118 HE3 MET 118 -13.969 -3.376 5.170
344 H GLU 119 HN GLU 119 -7.725 -3.352 6.466
345 HA GLU 119 HA GLU 119 -8.173 -6.154 5.708
346 HB2 GLU 119 HB2 GLU 119 -5.727 -4.460 5.190
347 HB3 GLU 119 HB1 GLU 119 -5.712 -6.217 5.107
348 HG2 GLU 119 HG2 GLU 119 -7.555 -4.514 3.458
349 HG3 GLU 119 HG1 GLU 119 -5.946 -5.001 2.922
350 H ALA 120 HN ALA 120 -8.349 -7.114 7.616
351 HA ALA 120 HA ALA 120 -6.548 -6.360 9.792
352 HB1 ALA 120 HB1 ALA 120 -7.971 -7.752 11.201
353 HB2 ALA 120 HB2 ALA 120 -8.896 -8.255 9.785
354 HB3 ALA 120 HB3 ALA 120 -8.930 -6.570 10.309
Start of MODEL 6
1 H PHE 12 H PHE 12 8.996 -6.771 -0.005
2 HA PHE 12 HA PHE 12 10.231 -6.402 1.919
3 HB2 PHE 12 HB2 PHE 12 12.389 -5.219 1.914
4 HB3 PHE 12 HB1 PHE 12 12.469 -6.702 0.977
5 HD1 PHE 12 HD1 PHE 12 12.298 -6.501 -1.571
6 HD2 PHE 12 HD2 PHE 12 13.038 -3.188 0.997
7 HE1 PHE 12 HE1 PHE 12 13.210 -5.233 -3.474
8 HE2 PHE 12 HE2 PHE 12 13.946 -1.915 -0.899
9 HZ PHE 12 HZ PHE 12 14.033 -2.934 -3.138
10 H LEU 13 HN LEU 13 8.883 -5.013 2.835
11 HA LEU 13 HA LEU 13 8.822 -2.255 1.802
12 HB2 LEU 13 HB2 LEU 13 6.408 -3.760 2.832
13 HB3 LEU 13 HB1 LEU 13 6.441 -2.120 2.227
14 HG LEU 13 HG LEU 13 7.029 -4.547 0.536
15 HD11 LEU 13 HD11 LEU 13 4.530 -2.873 0.738
16 HD12 LEU 13 HD12 LEU 13 4.711 -4.546 1.267
17 HD13 LEU 13 HD13 LEU 13 4.825 -4.146 -0.447
18 HD21 LEU 13 HD21 LEU 13 6.542 -1.669 -0.215
19 HD22 LEU 13 HD22 LEU 13 6.841 -3.003 -1.327
20 HD23 LEU 13 HD23 LEU 13 8.109 -2.477 -0.220
21 HA PRO 14 HA PRO 14 9.075 -0.533 5.979
22 HB2 PRO 14 HB2 PRO 14 6.323 0.342 5.127
23 HB3 PRO 14 HB1 PRO 14 7.531 1.253 6.027
24 HG2 PRO 14 HG2 PRO 14 7.246 1.681 3.449
25 HG3 PRO 14 HG1 PRO 14 8.877 1.558 4.136
26 HD2 PRO 14 HD2 PRO 14 7.382 -0.382 2.457
27 HD3 PRO 14 HD1 PRO 14 9.131 -0.112 2.589
28 H LYS 15 HN LYS 15 8.689 -1.628 7.812
29 HA LYS 15 HA LYS 15 7.108 -3.889 8.018
30 HB2 LYS 15 HB2 LYS 15 8.929 -3.328 9.582
31 HB3 LYS 15 HB1 LYS 15 7.943 -2.043 10.263
32 HG2 LYS 15 HG2 LYS 15 7.883 -3.967 11.707
33 HG3 LYS 15 HG1 LYS 15 6.292 -3.717 10.987
34 HD2 LYS 15 HD2 LYS 15 6.815 -6.070 10.950
35 HD3 LYS 15 HD1 LYS 15 6.831 -5.451 9.298
36 HE2 LYS 15 HE2 LYS 15 8.709 -6.939 9.642
37 HE3 LYS 15 HE1 LYS 15 9.284 -5.289 9.406
38 HZ1 LYS 15 HZ1 LYS 15 10.431 -6.443 11.222
39 HZ2 LYS 15 HZ2 LYS 15 8.960 -6.607 12.048
40 HZ3 LYS 15 HZ3 LYS 15 9.605 -5.066 11.767
41 H GLY 16 HN GLY 16 5.003 -4.037 7.753
42 HA2 GLY 16 HA2 GLY 16 2.880 -3.647 9.022
43 HA3 GLY 16 HA1 GLY 16 3.288 -1.938 8.938
44 H TRP 17 HN TRP 17 4.404 -2.542 6.163
45 HA TRP 17 HA TRP 17 1.837 -2.267 4.776
46 HB2 TRP 17 HB2 TRP 17 4.646 -1.556 3.928
47 HB3 TRP 17 HB1 TRP 17 3.244 -1.395 2.890
48 HD1 TRP 17 HD1 TRP 17 4.735 0.025 6.101
49 HE1 TRP 17 HE1 TRP 17 3.868 2.429 6.428
50 HE3 TRP 17 HE3 TRP 17 1.256 0.205 2.283
51 HZ2 TRP 17 HZ2 TRP 17 2.009 4.169 5.230
52 HZ3 TRP 17 HZ3 TRP 17 0.042 2.284 1.952
53 HH2 TRP 17 HH2 TRP 17 0.378 4.221 3.401
54 H GLU 18 HN GLU 18 1.097 -3.747 3.507
55 HA GLU 18 HA GLU 18 2.826 -5.943 2.594
56 HB2 GLU 18 HB2 GLU 18 -0.062 -5.732 3.323
57 HB3 GLU 18 HB1 GLU 18 0.389 -6.902 2.096
58 HG2 GLU 18 HG2 GLU 18 2.069 -7.811 3.737
59 HG3 GLU 18 HG1 GLU 18 1.336 -6.757 4.945
60 H VAL 19 HN VAL 19 2.711 -6.561 0.353
61 HA VAL 19 HA VAL 19 1.560 -4.436 -1.313
62 HB VAL 19 HB VAL 19 4.025 -4.727 -1.506
63 HG11 VAL 19 HG11 VAL 19 3.348 -7.366 -2.786
64 HG12 VAL 19 HG12 VAL 19 4.168 -7.147 -1.238
65 HG13 VAL 19 HG13 VAL 19 4.943 -6.615 -2.732
66 HG21 VAL 19 HG21 VAL 19 2.426 -5.280 -3.991
67 HG22 VAL 19 HG22 VAL 19 4.084 -4.677 -3.957
68 HG23 VAL 19 HG23 VAL 19 2.775 -3.700 -3.290
69 H ARG 20 HN ARG 20 -0.253 -4.908 -2.298
70 HA ARG 20 HA ARG 20 -0.714 -7.688 -3.178
71 HB2 ARG 20 HB2 ARG 20 -2.306 -6.889 -1.398
72 HB3 ARG 20 HB1 ARG 20 -2.840 -5.633 -2.512
73 HG2 ARG 20 HG2 ARG 20 -3.285 -7.625 -4.123
74 HG3 ARG 20 HG1 ARG 20 -3.259 -8.588 -2.649
75 HD2 ARG 20 HD2 ARG 20 -5.002 -6.167 -3.017
76 HD3 ARG 20 HD1 ARG 20 -5.521 -7.796 -3.429
77 HE ARG 20 HE ARG 20 -4.724 -7.055 -0.684
78 HH11 ARG 20 HH11 ARG 20 -6.910 -8.580 -2.958
79 HH12 ARG 20 HH12 ARG 20 -8.019 -9.122 -1.732
80 HH21 ARG 20 HH21 ARG 20 -6.186 -7.759 0.950
81 HH22 ARG 20 HH22 ARG 20 -7.600 -8.665 0.473
82 H HIS 21 HN HIS 21 -1.244 -7.981 -5.319
83 HA HIS 21 HA HIS 21 -0.900 -5.624 -6.993
84 HB2 HIS 21 HB2 HIS 21 0.156 -8.053 -7.312
85 HB3 HIS 21 HB1 HIS 21 -1.344 -8.312 -8.200
86 HD1 HIS 21 HD1 HIS 21 -1.606 -7.124 -10.461
87 HD2 HIS 21 HD2 HIS 21 1.917 -6.178 -8.452
88 HE1 HIS 21 HE1 HIS 21 -0.210 -5.822 -12.108
89 HE2 HIS 21 HE2 HIS 21 1.872 -5.168 -10.843
90 H ALA 22 HN ALA 22 -2.507 -4.583 -7.887
91 HA ALA 22 HA ALA 22 -5.226 -5.525 -7.521
92 HB1 ALA 22 HB1 ALA 22 -4.220 -2.925 -8.686
93 HB2 ALA 22 HB2 ALA 22 -4.530 -3.204 -6.975
94 HB3 ALA 22 HB3 ALA 22 -5.860 -3.273 -8.131
95 HA PRO 23 HA PRO 23 -6.141 -6.357 -11.909
96 HB2 PRO 23 HB2 PRO 23 -8.027 -4.064 -11.947
97 HB3 PRO 23 HB1 PRO 23 -8.304 -5.754 -12.383
98 HG2 PRO 23 HG2 PRO 23 -9.271 -4.744 -10.111
99 HG3 PRO 23 HG1 PRO 23 -8.645 -6.402 -10.185
100 HD2 PRO 23 HD2 PRO 23 -7.373 -3.942 -9.056
101 HD3 PRO 23 HD1 PRO 23 -7.329 -5.612 -8.457
102 H ASN 24 HN ASN 24 -5.535 -3.134 -10.779
103 HA ASN 24 HA ASN 24 -4.643 -1.874 -13.113
104 HB2 ASN 24 HB2 ASN 24 -3.858 -1.599 -10.220
105 HB3 ASN 24 HB1 ASN 24 -3.138 -0.604 -11.484
106 HD21 ASN 24 HD21 ASN 24 -5.994 -1.258 -9.625
107 HD22 ASN 24 HD22 ASN 24 -6.895 0.119 -10.149
108 H GLY 25 HN GLY 25 -2.687 -1.862 -14.181
109 HA2 GLY 25 HA2 GLY 25 -0.832 -4.013 -13.741
110 HA3 GLY 25 HA1 GLY 25 -0.602 -2.646 -14.832
111 H ARG 26 HN ARG 26 -1.119 -2.935 -11.369
112 HA ARG 26 HA ARG 26 1.330 -1.599 -10.677
113 HB2 ARG 26 HB2 ARG 26 -0.105 0.252 -11.482
114 HB3 ARG 26 HB1 ARG 26 -1.348 -0.219 -10.344
115 HG2 ARG 26 HG2 ARG 26 -0.058 0.495 -8.526
116 HG3 ARG 26 HG1 ARG 26 1.430 0.520 -9.477
117 HD2 ARG 26 HD2 ARG 26 0.490 2.370 -10.820
118 HD3 ARG 26 HD1 ARG 26 -0.929 2.374 -9.771
119 HE ARG 26 HE ARG 26 1.017 2.678 -7.993
120 HH11 ARG 26 HH11 ARG 26 0.416 4.288 -11.048
121 HH12 ARG 26 HH12 ARG 26 1.224 5.752 -10.575
122 HH21 ARG 26 HH21 ARG 26 2.117 4.598 -7.391
123 HH22 ARG 26 HH22 ARG 26 2.182 5.935 -8.505
124 HA PRO 27 HA PRO 27 -0.115 -3.666 -6.915
125 HB2 PRO 27 HB2 PRO 27 2.382 -3.378 -5.676
126 HB3 PRO 27 HB1 PRO 27 1.833 -4.786 -6.579
127 HG2 PRO 27 HG2 PRO 27 3.908 -3.007 -7.280
128 HG3 PRO 27 HG1 PRO 27 3.224 -4.294 -8.282
129 HD2 PRO 27 HD2 PRO 27 2.735 -1.378 -8.363
130 HD3 PRO 27 HD1 PRO 27 2.586 -2.601 -9.644
131 H PHE 28 HN PHE 28 -1.118 -2.688 -5.229
132 HA PHE 28 HA PHE 28 -0.224 -0.005 -4.517
133 HB2 PHE 28 HB2 PHE 28 -2.341 0.171 -3.226
134 HB3 PHE 28 HB1 PHE 28 -2.587 -0.126 -4.936
135 HD1 PHE 28 HD1 PHE 28 -2.350 -2.014 -1.715
136 HD2 PHE 28 HD2 PHE 28 -4.161 -1.665 -5.550
137 HE1 PHE 28 HE1 PHE 28 -3.877 -3.854 -1.160
138 HE2 PHE 28 HE2 PHE 28 -5.688 -3.517 -4.995
139 HZ PHE 28 HZ PHE 28 -5.547 -4.609 -2.799
140 H PHE 29 HN PHE 29 0.300 0.574 -2.429
141 HA PHE 29 HA PHE 29 1.393 -1.595 -0.803
142 HB2 PHE 29 HB2 PHE 29 1.852 1.392 -0.729
143 HB3 PHE 29 HB1 PHE 29 2.740 0.198 0.215
144 HD1 PHE 29 HD1 PHE 29 4.213 -1.432 -0.966
145 HD2 PHE 29 HD2 PHE 29 2.362 1.823 -2.990
146 HE1 PHE 29 HE1 PHE 29 5.746 -1.747 -2.866
147 HE2 PHE 29 HE2 PHE 29 3.898 1.518 -4.892
148 HZ PHE 29 HZ PHE 29 5.588 -0.276 -4.833
149 H ILE 30 HN ILE 30 0.656 -2.011 1.281
150 HA ILE 30 HA ILE 30 -1.398 -0.177 2.185
151 HB ILE 30 HB ILE 30 -2.745 -2.256 2.939
152 HG12 ILE 30 HG12 ILE 30 -0.999 -3.483 0.808
153 HG13 ILE 30 HG11 ILE 30 -1.023 -3.917 2.514
154 HG21 ILE 30 HG21 ILE 30 -3.896 -2.389 0.802
155 HG22 ILE 30 HG22 ILE 30 -2.534 -1.595 0.011
156 HG23 ILE 30 HG23 ILE 30 -3.492 -0.721 1.207
157 HD11 ILE 30 HD11 ILE 30 -3.299 -4.262 0.577
158 HD12 ILE 30 HD12 ILE 30 -3.311 -4.716 2.281
159 HD13 ILE 30 HD13 ILE 30 -2.225 -5.535 1.158
160 H ASP 31 HN ASP 31 -1.289 0.480 4.112
161 HA ASP 31 HA ASP 31 0.383 -0.863 6.079
162 HB2 ASP 31 HB2 ASP 31 0.659 1.524 5.939
163 HB3 ASP 31 HB1 ASP 31 -1.078 1.787 6.071
164 H HIS 32 HN HIS 32 -0.384 -2.098 7.673
165 HA HIS 32 HA HIS 32 -3.271 -2.466 7.860
166 HB2 HIS 32 HB2 HIS 32 -0.911 -4.037 8.854
167 HB3 HIS 32 HB1 HIS 32 -2.536 -4.364 9.441
168 HD1 HIS 32 HD1 HIS 32 -4.086 -5.650 7.960
169 HD2 HIS 32 HD2 HIS 32 -0.510 -4.645 6.091
170 HE1 HIS 32 HE1 HIS 32 -4.071 -6.921 5.783
171 HE2 HIS 32 HE2 HIS 32 -1.759 -6.552 4.866
172 H ASN 33 HN ASN 33 -1.157 -0.443 9.337
173 HA ASN 33 HA ASN 33 -1.997 -0.882 12.071
174 HB2 ASN 33 HB2 ASN 33 -0.358 1.370 10.884
175 HB3 ASN 33 HB1 ASN 33 -0.626 1.102 12.602
176 HD21 ASN 33 HD21 ASN 33 1.156 0.195 9.813
177 HD22 ASN 33 HD22 ASN 33 2.201 -0.952 10.594
178 H THR 34 HN THR 34 -2.515 1.535 9.539
179 HA THR 34 HA THR 34 -4.858 2.485 11.077
180 HB THR 34 HB THR 34 -3.050 4.168 10.967
181 HG1 THR 34 HG1 THR 34 -5.610 4.514 10.281
182 HG21 THR 34 HG21 THR 34 -2.499 5.237 8.832
183 HG22 THR 34 HG22 THR 34 -3.513 4.066 7.989
184 HG23 THR 34 HG23 THR 34 -2.060 3.528 8.832
185 H LYS 35 HN LYS 35 -4.013 0.692 8.524
186 HA LYS 35 HA LYS 35 -4.828 0.084 6.532
187 HB2 LYS 35 HB2 LYS 35 -7.388 1.045 7.807
188 HB3 LYS 35 HB1 LYS 35 -7.315 0.122 6.309
189 HG2 LYS 35 HG2 LYS 35 -6.283 -1.736 7.457
190 HG3 LYS 35 HG1 LYS 35 -6.228 -0.809 8.956
191 HD2 LYS 35 HD2 LYS 35 -8.654 -0.743 9.033
192 HD3 LYS 35 HD1 LYS 35 -8.747 -1.597 7.490
193 HE2 LYS 35 HE2 LYS 35 -9.120 -3.091 9.408
194 HE3 LYS 35 HE1 LYS 35 -7.700 -3.551 8.470
195 HZ1 LYS 35 HZ1 LYS 35 -6.349 -2.335 10.144
196 HZ2 LYS 35 HZ2 LYS 35 -7.148 -3.689 10.764
197 HZ3 LYS 35 HZ3 LYS 35 -7.747 -2.126 11.079
198 H THR 36 HN THR 36 -3.686 1.476 5.255
199 HA THR 36 HA THR 36 -5.377 3.376 3.816
200 HB THR 36 HB THR 36 -2.614 4.138 4.801
201 HG1 THR 36 HG1 THR 36 -5.055 4.326 5.970
202 HG21 THR 36 HG21 THR 36 -3.201 6.367 3.907
203 HG22 THR 36 HG22 THR 36 -4.700 5.695 3.264
204 HG23 THR 36 HG23 THR 36 -3.146 5.136 2.644
205 H THR 37 HN THR 37 -5.070 3.259 1.654
206 HA THR 37 HA THR 37 -2.940 1.516 0.655
207 HB THR 37 HB THR 37 -4.193 1.676 -1.515
208 HG1 THR 37 HG1 THR 37 -5.282 3.736 -0.570
209 HG21 THR 37 HG21 THR 37 -4.594 -0.227 -0.123
210 HG22 THR 37 HG22 THR 37 -6.149 0.328 -0.749
211 HG23 THR 37 HG23 THR 37 -5.677 0.697 0.908
212 H THR 38 HN THR 38 -1.174 2.319 -0.334
213 HA THR 38 HA THR 38 -1.386 4.996 -1.554
214 HB THR 38 HB THR 38 0.974 5.383 -1.092
215 HG1 THR 38 HG1 THR 38 2.173 3.672 -0.771
216 HG21 THR 38 HG21 THR 38 0.897 5.590 1.330
217 HG22 THR 38 HG22 THR 38 -0.450 4.453 1.400
218 HG23 THR 38 HG23 THR 38 -0.663 6.027 0.631
219 H TRP 39 HN TRP 39 -0.824 5.137 -3.684
220 HA TRP 39 HA TRP 39 0.070 2.696 -4.982
221 HB2 TRP 39 HB2 TRP 39 -0.701 5.393 -6.115
222 HB3 TRP 39 HB1 TRP 39 -0.187 4.026 -7.094
223 HD1 TRP 39 HD1 TRP 39 -3.154 5.418 -5.240
224 HE1 TRP 39 HE1 TRP 39 -5.207 3.921 -5.640
225 HE3 TRP 39 HE3 TRP 39 -0.841 1.453 -7.570
226 HZ2 TRP 39 HZ2 TRP 39 -5.777 1.409 -6.755
227 HZ3 TRP 39 HZ3 TRP 39 -2.239 -0.452 -8.246
228 HH2 TRP 39 HH2 TRP 39 -4.647 -0.477 -7.855
229 H GLU 40 HN GLU 40 1.361 5.428 -3.579
230 HA GLU 40 HA GLU 40 3.890 5.274 -5.027
231 HB2 GLU 40 HB2 GLU 40 2.871 7.121 -2.859
232 HB3 GLU 40 HB1 GLU 40 4.531 7.147 -3.432
233 HG2 GLU 40 HG2 GLU 40 3.264 8.901 -4.483
234 HG3 GLU 40 HG1 GLU 40 3.739 7.703 -5.682
235 H ASP 41 HN ASP 41 5.604 4.205 -4.235
236 HA ASP 41 HA ASP 41 5.381 2.433 -2.066
237 HB2 ASP 41 HB2 ASP 41 6.947 2.111 -3.953
238 HB3 ASP 41 HB1 ASP 41 7.895 3.481 -3.389
239 HA PRO 42 HA PRO 42 5.729 5.324 1.271
240 HB2 PRO 42 HB2 PRO 42 6.514 2.885 2.777
241 HB3 PRO 42 HB1 PRO 42 5.260 4.079 3.131
242 HG2 PRO 42 HG2 PRO 42 4.603 1.689 2.174
243 HG3 PRO 42 HG1 PRO 42 3.760 3.150 1.623
244 HD2 PRO 42 HD2 PRO 42 5.867 1.541 0.250
245 HD3 PRO 42 HD1 PRO 42 4.430 2.325 -0.430
246 H ARG 43 HN ARG 43 8.371 3.268 0.246
247 HA ARG 43 HA ARG 43 10.259 4.449 2.093
248 HB2 ARG 43 HB2 ARG 43 10.709 2.719 -0.342
249 HB3 ARG 43 HB1 ARG 43 11.984 3.260 0.738
250 HG2 ARG 43 HG2 ARG 43 10.859 2.070 2.592
251 HG3 ARG 43 HG1 ARG 43 9.680 1.455 1.430
252 HD2 ARG 43 HD2 ARG 43 11.467 -0.173 1.885
253 HD3 ARG 43 HD1 ARG 43 11.444 0.335 0.197
254 HE ARG 43 HE ARG 43 13.249 2.005 1.135
255 HH11 ARG 43 HH11 ARG 43 12.879 -1.399 1.836
256 HH12 ARG 43 HH12 ARG 43 14.578 -1.664 2.097
257 HH21 ARG 43 HH21 ARG 43 15.449 1.693 1.488
258 HH22 ARG 43 HH22 ARG 43 16.054 0.111 1.895
259 H LEU 44 HN LEU 44 8.937 5.239 -0.961
260 HA LEU 44 HA LEU 44 11.116 6.937 -1.779
261 HB2 LEU 44 HB2 LEU 44 8.299 6.661 -2.821
262 HB3 LEU 44 HB1 LEU 44 9.519 7.695 -3.541
263 HG LEU 44 HG LEU 44 9.680 4.689 -3.310
264 HD11 LEU 44 HD11 LEU 44 9.424 4.723 -5.744
265 HD12 LEU 44 HD12 LEU 44 9.193 6.471 -5.692
266 HD13 LEU 44 HD13 LEU 44 8.015 5.402 -4.929
267 HD21 LEU 44 HD21 LEU 44 11.878 5.707 -3.187
268 HD22 LEU 44 HD22 LEU 44 11.534 6.678 -4.618
269 HD23 LEU 44 HD23 LEU 44 11.660 4.923 -4.752
270 H LYS 45 HN LYS 45 8.627 7.198 0.444
271 HA LYS 45 HA LYS 45 8.545 10.117 0.234
272 HB2 LYS 45 HB2 LYS 45 6.744 8.136 1.595
273 HB3 LYS 45 HB1 LYS 45 6.733 9.829 2.063
274 HG2 LYS 45 HG2 LYS 45 6.072 8.682 -0.642
275 HG3 LYS 45 HG1 LYS 45 4.974 9.472 0.493
276 HD2 LYS 45 HD2 LYS 45 6.408 11.530 0.272
277 HD3 LYS 45 HD1 LYS 45 7.233 10.718 -1.058
278 HE2 LYS 45 HE2 LYS 45 5.583 12.099 -2.040
279 HE3 LYS 45 HE1 LYS 45 4.973 10.448 -2.137
280 HZ1 LYS 45 HZ1 LYS 45 3.298 12.094 -1.409
281 HZ2 LYS 45 HZ2 LYS 45 4.215 12.378 -0.011
282 HZ3 LYS 45 HZ3 LYS 45 3.537 10.850 -0.283
283 H ILE 46 HN ILE 46 10.135 11.035 1.261
284 HA ILE 46 HA ILE 46 10.340 10.705 4.108
285 HB ILE 46 HB ILE 46 11.936 9.034 3.586
286 HG12 ILE 46 HG12 ILE 46 13.451 11.608 4.055
287 HG13 ILE 46 HG11 ILE 46 12.651 10.650 5.296
288 HG21 ILE 46 HG21 ILE 46 13.157 10.927 1.586
289 HG22 ILE 46 HG22 ILE 46 12.233 9.470 1.223
290 HG23 ILE 46 HG23 ILE 46 13.798 9.344 2.025
291 HD11 ILE 46 HD11 ILE 46 14.178 8.794 4.835
292 HD12 ILE 46 HD12 ILE 46 15.041 10.261 5.299
293 HD13 ILE 46 HD13 ILE 46 14.980 9.771 3.606
294 H THR 112 H THR 112 -13.984 5.001 -7.734
295 HA THR 112 HA THR 112 -12.119 6.432 -7.254
296 HB THR 112 HB THR 112 -13.424 5.633 -5.367
297 HG1 THR 112 HG1 THR 112 -11.198 5.267 -3.990
298 HG21 THR 112 HG21 THR 112 -13.267 3.234 -5.734
299 HG22 THR 112 HG22 THR 112 -12.770 3.640 -4.091
300 HG23 THR 112 HG23 THR 112 -11.554 3.264 -5.313
301 H ALA 113 HN ALA 113 -9.965 6.779 -7.239
302 HA ALA 113 HA ALA 113 -8.227 4.848 -8.359
303 HB1 ALA 113 HB1 ALA 113 -7.853 7.242 -8.661
304 HB2 ALA 113 HB2 ALA 113 -6.435 6.458 -7.966
305 HB3 ALA 113 HB3 ALA 113 -7.506 7.413 -6.939
306 HA PRO 114 HA PRO 114 -6.633 3.964 -3.968
307 HB2 PRO 114 HB2 PRO 114 -7.924 5.544 -1.961
308 HB3 PRO 114 HB1 PRO 114 -6.235 5.613 -2.469
309 HG2 PRO 114 HG2 PRO 114 -8.074 7.632 -2.865
310 HG3 PRO 114 HG1 PRO 114 -6.591 7.415 -3.810
311 HD2 PRO 114 HD2 PRO 114 -9.401 6.630 -4.487
312 HD3 PRO 114 HD1 PRO 114 -8.136 7.315 -5.531
313 HA PRO 115 HA PRO 115 -10.351 1.471 -3.398
314 HB2 PRO 115 HB2 PRO 115 -9.048 -0.668 -2.325
315 HB3 PRO 115 HB1 PRO 115 -9.114 -0.348 -4.061
316 HG2 PRO 115 HG2 PRO 115 -6.918 0.222 -2.113
317 HG3 PRO 115 HG1 PRO 115 -6.819 -0.401 -3.771
318 HD2 PRO 115 HD2 PRO 115 -6.325 2.189 -3.143
319 HD3 PRO 115 HD1 PRO 115 -7.007 1.689 -4.703
320 H GLU 116 HN GLU 116 -11.677 1.103 -1.667
321 HA GLU 116 HA GLU 116 -11.049 2.356 0.804
322 HB2 GLU 116 HB2 GLU 116 -13.204 1.272 1.590
323 HB3 GLU 116 HB1 GLU 116 -13.340 2.355 0.216
324 HG2 GLU 116 HG2 GLU 116 -13.103 -0.614 -0.136
325 HG3 GLU 116 HG1 GLU 116 -14.653 0.167 0.165
326 H TYR 117 HN TYR 117 -9.993 1.573 2.504
327 HA TYR 117 HA TYR 117 -9.074 -1.197 2.238
328 HB2 TYR 117 HB2 TYR 117 -7.420 0.664 2.085
329 HB3 TYR 117 HB1 TYR 117 -7.795 1.086 3.744
330 HD1 TYR 117 HD1 TYR 117 -8.032 -2.325 3.811
331 HD2 TYR 117 HD2 TYR 117 -5.090 0.699 3.343
332 HE1 TYR 117 HE1 TYR 117 -6.323 -3.875 4.622
333 HE2 TYR 117 HE2 TYR 117 -3.368 -0.851 4.152
334 HH TYR 117 HH TYR 117 -3.910 -4.186 4.435
335 H MET 118 HN MET 118 -9.994 -2.599 3.561
336 HA MET 118 HA MET 118 -9.402 -2.273 6.331
337 HB2 MET 118 HB2 MET 118 -11.591 -2.589 7.274
338 HB3 MET 118 HB1 MET 118 -11.665 -1.207 6.197
339 HG2 MET 118 HG2 MET 118 -12.698 -3.979 5.625
340 HG3 MET 118 HG1 MET 118 -13.663 -2.559 6.020
341 HE1 MET 118 HE1 MET 118 -13.929 -4.591 3.476
342 HE2 MET 118 HE2 MET 118 -14.362 -3.454 2.201
343 HE3 MET 118 HE3 MET 118 -15.097 -3.312 3.799
344 H GLU 119 HN GLU 119 -8.089 -4.036 6.109
345 HA GLU 119 HA GLU 119 -9.342 -6.590 5.351
346 HB2 GLU 119 HB2 GLU 119 -6.413 -5.903 5.693
347 HB3 GLU 119 HB1 GLU 119 -7.040 -7.459 5.177
348 HG2 GLU 119 HG2 GLU 119 -7.858 -6.511 3.129
349 HG3 GLU 119 HG1 GLU 119 -7.403 -4.888 3.659
350 H ALA 120 HN ALA 120 -6.516 -6.180 7.323
351 HA ALA 120 HA ALA 120 -7.961 -6.892 9.765
352 HB1 ALA 120 HB1 ALA 120 -6.189 -8.484 10.371
353 HB2 ALA 120 HB2 ALA 120 -5.427 -8.232 8.801
354 HB3 ALA 120 HB3 ALA 120 -7.021 -8.978 8.896
Start of MODEL 7
1 H PHE 12 H PHE 12 10.951 -4.869 -1.010
2 HA PHE 12 HA PHE 12 13.403 -3.568 0.017
3 HB2 PHE 12 HB2 PHE 12 13.403 -2.264 -2.022
4 HB3 PHE 12 HB1 PHE 12 13.395 -3.971 -2.444
5 HD1 PHE 12 HD2 PHE 12 11.250 -5.022 -3.229
6 HD2 PHE 12 HD1 PHE 12 11.699 -0.817 -2.749
7 HE1 PHE 12 HE2 PHE 12 9.285 -4.651 -4.658
8 HE2 PHE 12 HE1 PHE 12 9.736 -0.443 -4.182
9 HZ PHE 12 HZ PHE 12 8.527 -2.359 -5.136
10 H LEU 13 HN LEU 13 10.308 -3.838 0.752
11 HA LEU 13 HA LEU 13 9.828 -0.940 0.916
12 HB2 LEU 13 HB2 LEU 13 7.406 -1.481 0.996
13 HB3 LEU 13 HB1 LEU 13 8.174 -1.892 -0.521
14 HG LEU 13 HG LEU 13 7.753 -3.986 1.592
15 HD11 LEU 13 HD11 LEU 13 5.587 -2.868 1.146
16 HD12 LEU 13 HD12 LEU 13 5.632 -4.544 0.596
17 HD13 LEU 13 HD13 LEU 13 5.794 -3.231 -0.569
18 HD21 LEU 13 HD21 LEU 13 7.967 -4.060 -1.414
19 HD22 LEU 13 HD22 LEU 13 7.735 -5.461 -0.365
20 HD23 LEU 13 HD23 LEU 13 9.227 -4.524 -0.271
21 HA PRO 14 HA PRO 14 9.882 -0.594 5.320
22 HB2 PRO 14 HB2 PRO 14 7.065 0.202 4.627
23 HB3 PRO 14 HB1 PRO 14 8.135 0.912 5.833
24 HG2 PRO 14 HG2 PRO 14 7.896 2.027 3.441
25 HG3 PRO 14 HG1 PRO 14 9.486 1.919 4.220
26 HD2 PRO 14 HD2 PRO 14 8.446 0.456 1.884
27 HD3 PRO 14 HD1 PRO 14 10.119 0.734 2.381
28 H LYS 15 HN LYS 15 9.671 -2.136 6.802
29 HA LYS 15 HA LYS 15 7.883 -4.306 6.713
30 HB2 LYS 15 HB2 LYS 15 10.020 -4.092 8.071
31 HB3 LYS 15 HB1 LYS 15 9.120 -3.088 9.192
32 HG2 LYS 15 HG2 LYS 15 8.298 -5.899 8.529
33 HG3 LYS 15 HG1 LYS 15 9.431 -5.512 9.821
34 HD2 LYS 15 HD2 LYS 15 6.593 -4.515 9.606
35 HD3 LYS 15 HD1 LYS 15 7.157 -5.804 10.668
36 HE2 LYS 15 HE2 LYS 15 8.065 -2.930 10.759
37 HE3 LYS 15 HE1 LYS 15 6.909 -3.673 11.861
38 HZ1 LYS 15 HZ1 LYS 15 9.120 -3.562 12.827
39 HZ2 LYS 15 HZ2 LYS 15 9.755 -4.473 11.545
40 HZ3 LYS 15 HZ3 LYS 15 8.639 -5.174 12.614
41 H GLY 16 HN GLY 16 5.740 -4.294 6.975
42 HA2 GLY 16 HA2 GLY 16 3.904 -3.693 8.540
43 HA3 GLY 16 HA1 GLY 16 4.551 -2.057 8.507
44 H TRP 17 HN TRP 17 5.141 -2.762 5.539
45 HA TRP 17 HA TRP 17 2.455 -2.094 4.557
46 HB2 TRP 17 HB2 TRP 17 5.196 -1.443 3.506
47 HB3 TRP 17 HB1 TRP 17 3.779 -1.324 2.485
48 HD1 TRP 17 HD1 TRP 17 5.407 0.264 5.539
49 HE1 TRP 17 HE1 TRP 17 4.484 2.643 5.838
50 HE3 TRP 17 HE3 TRP 17 1.597 0.160 2.030
51 HZ2 TRP 17 HZ2 TRP 17 2.465 4.264 4.741
52 HZ3 TRP 17 HZ3 TRP 17 0.294 2.180 1.721
53 HH2 TRP 17 HH2 TRP 17 0.681 4.186 3.058
54 H GLU 18 HN GLU 18 1.439 -3.555 3.534
55 HA GLU 18 HA GLU 18 2.679 -5.990 2.549
56 HB2 GLU 18 HB2 GLU 18 -0.072 -5.017 3.168
57 HB3 GLU 18 HB1 GLU 18 0.090 -6.307 1.990
58 HG2 GLU 18 HG2 GLU 18 -0.371 -7.031 4.321
59 HG3 GLU 18 HG1 GLU 18 1.031 -7.748 3.565
60 H VAL 19 HN VAL 19 2.560 -6.664 0.351
61 HA VAL 19 HA VAL 19 1.767 -4.537 -1.508
62 HB VAL 19 HB VAL 19 4.027 -5.394 -1.891
63 HG11 VAL 19 HG11 VAL 19 4.441 -7.648 -2.693
64 HG12 VAL 19 HG12 VAL 19 2.737 -8.052 -2.482
65 HG13 VAL 19 HG13 VAL 19 3.737 -7.683 -1.075
66 HG21 VAL 19 HG21 VAL 19 2.777 -4.546 -3.780
67 HG22 VAL 19 HG22 VAL 19 2.085 -6.143 -4.067
68 HG23 VAL 19 HG23 VAL 19 3.816 -5.880 -4.283
69 H ARG 20 HN ARG 20 -0.231 -4.578 -1.989
70 HA ARG 20 HA ARG 20 -1.660 -7.131 -2.285
71 HB2 ARG 20 HB2 ARG 20 -2.241 -4.651 -1.013
72 HB3 ARG 20 HB1 ARG 20 -3.356 -4.826 -2.351
73 HG2 ARG 20 HG2 ARG 20 -2.956 -6.969 -0.285
74 HG3 ARG 20 HG1 ARG 20 -4.125 -5.665 -0.094
75 HD2 ARG 20 HD2 ARG 20 -5.042 -6.401 -2.362
76 HD3 ARG 20 HD1 ARG 20 -4.085 -7.865 -2.134
77 HE ARG 20 HE ARG 20 -5.831 -7.173 0.079
78 HH11 ARG 20 HH11 ARG 20 -5.444 -9.006 -2.880
79 HH12 ARG 20 HH12 ARG 20 -6.734 -10.104 -2.524
80 HH21 ARG 20 HH21 ARG 20 -7.561 -8.589 0.546
81 HH22 ARG 20 HH22 ARG 20 -7.946 -9.870 -0.580
82 H HIS 21 HN HIS 21 -2.107 -7.760 -4.349
83 HA HIS 21 HA HIS 21 -1.608 -5.803 -6.453
84 HB2 HIS 21 HB2 HIS 21 -0.791 -8.304 -6.374
85 HB3 HIS 21 HB1 HIS 21 -2.389 -8.627 -7.044
86 HD1 HIS 21 HD1 HIS 21 -2.813 -7.975 -9.483
87 HD2 HIS 21 HD2 HIS 21 0.933 -6.829 -8.059
88 HE1 HIS 21 HE1 HIS 21 -1.535 -7.158 -11.495
89 HE2 HIS 21 HE2 HIS 21 0.719 -6.454 -10.622
90 H ALA 22 HN ALA 22 -3.174 -4.685 -7.365
91 HA ALA 22 HA ALA 22 -5.955 -5.538 -6.997
92 HB1 ALA 22 HB1 ALA 22 -5.390 -3.272 -6.279
93 HB2 ALA 22 HB2 ALA 22 -6.520 -3.232 -7.628
94 HB3 ALA 22 HB3 ALA 22 -4.812 -2.893 -7.898
95 HA PRO 23 HA PRO 23 -6.591 -6.400 -11.348
96 HB2 PRO 23 HB2 PRO 23 -9.077 -5.350 -11.740
97 HB3 PRO 23 HB1 PRO 23 -8.787 -6.877 -10.899
98 HG2 PRO 23 HG2 PRO 23 -9.298 -4.157 -9.764
99 HG3 PRO 23 HG1 PRO 23 -9.949 -5.726 -9.251
100 HD2 PRO 23 HD2 PRO 23 -7.913 -4.517 -7.956
101 HD3 PRO 23 HD1 PRO 23 -8.034 -6.283 -8.092
102 H ASN 24 HN ASN 24 -5.737 -3.546 -10.256
103 HA ASN 24 HA ASN 24 -6.280 -1.879 -12.550
104 HB2 ASN 24 HB2 ASN 24 -4.628 -1.501 -10.066
105 HB3 ASN 24 HB1 ASN 24 -4.666 -0.317 -11.368
106 HD21 ASN 24 HD21 ASN 24 -6.453 -1.785 -8.774
107 HD22 ASN 24 HD22 ASN 24 -7.761 -0.660 -8.769
108 H GLY 25 HN GLY 25 -4.613 -4.519 -12.415
109 HA2 GLY 25 HA2 GLY 25 -2.660 -5.374 -13.273
110 HA3 GLY 25 HA1 GLY 25 -2.635 -3.961 -14.329
111 H ARG 26 HN ARG 26 -2.677 -3.810 -10.857
112 HA ARG 26 HA ARG 26 0.042 -2.833 -10.768
113 HB2 ARG 26 HB2 ARG 26 -1.221 -0.907 -11.573
114 HB3 ARG 26 HB1 ARG 26 -2.363 -1.062 -10.252
115 HG2 ARG 26 HG2 ARG 26 -0.776 -0.314 -8.698
116 HG3 ARG 26 HG1 ARG 26 0.575 -0.632 -9.790
117 HD2 ARG 26 HD2 ARG 26 -0.233 1.163 -11.269
118 HD3 ARG 26 HD1 ARG 26 -1.528 1.503 -10.117
119 HE ARG 26 HE ARG 26 0.731 1.656 -8.623
120 HH11 ARG 26 HH11 ARG 26 -0.341 3.191 -11.574
121 HH12 ARG 26 HH12 ARG 26 0.576 4.645 -11.312
122 HH21 ARG 26 HH21 ARG 26 1.969 3.556 -8.285
123 HH22 ARG 26 HH22 ARG 26 1.870 4.861 -9.430
124 HA PRO 27 HA PRO 27 -0.766 -4.129 -6.522
125 HB2 PRO 27 HB2 PRO 27 1.891 -3.765 -5.735
126 HB3 PRO 27 HB1 PRO 27 1.194 -5.257 -6.347
127 HG2 PRO 27 HG2 PRO 27 3.142 -3.617 -7.595
128 HG3 PRO 27 HG1 PRO 27 2.361 -5.056 -8.261
129 HD2 PRO 27 HD2 PRO 27 1.817 -2.208 -8.794
130 HD3 PRO 27 HD1 PRO 27 1.456 -3.645 -9.775
131 H PHE 28 HN PHE 28 -1.601 -2.824 -5.033
132 HA PHE 28 HA PHE 28 -0.427 -0.179 -4.637
133 HB2 PHE 28 HB2 PHE 28 -2.466 0.385 -3.406
134 HB3 PHE 28 HB1 PHE 28 -2.845 -0.205 -5.014
135 HD1 PHE 28 HD2 PHE 28 -3.627 -2.649 -5.212
136 HD2 PHE 28 HD1 PHE 28 -3.477 -0.516 -1.537
137 HE1 PHE 28 HE2 PHE 28 -5.237 -4.232 -4.223
138 HE2 PHE 28 HE1 PHE 28 -5.090 -2.087 -0.553
139 HZ PHE 28 HZ PHE 28 -5.974 -3.946 -1.897
140 H PHE 29 HN PHE 29 0.374 0.453 -2.664
141 HA PHE 29 HA PHE 29 1.361 -1.746 -1.023
142 HB2 PHE 29 HB2 PHE 29 2.031 1.203 -1.098
143 HB3 PHE 29 HB1 PHE 29 2.866 0.011 -0.107
144 HD1 PHE 29 HD1 PHE 29 4.287 -1.683 -1.163
145 HD2 PHE 29 HD2 PHE 29 2.351 1.334 -3.453
146 HE1 PHE 29 HE1 PHE 29 5.719 -2.237 -3.088
147 HE2 PHE 29 HE2 PHE 29 3.780 0.789 -5.383
148 HZ PHE 29 HZ PHE 29 5.456 -1.001 -5.205
149 H ILE 30 HN ILE 30 0.906 -1.994 1.196
150 HA ILE 30 HA ILE 30 -1.078 -0.102 2.127
151 HB ILE 30 HB ILE 30 -2.294 -2.227 3.119
152 HG12 ILE 30 HG12 ILE 30 -1.130 -3.371 0.593
153 HG13 ILE 30 HG11 ILE 30 -0.524 -3.747 2.206
154 HG21 ILE 30 HG21 ILE 30 -2.527 -1.367 0.232
155 HG22 ILE 30 HG22 ILE 30 -3.331 -0.614 1.610
156 HG23 ILE 30 HG23 ILE 30 -3.752 -2.259 1.134
157 HD11 ILE 30 HD11 ILE 30 -3.312 -4.265 1.195
158 HD12 ILE 30 HD12 ILE 30 -2.723 -4.627 2.817
159 HD13 ILE 30 HD13 ILE 30 -2.041 -5.466 1.424
160 H ASP 31 HN ASP 31 -0.847 0.689 3.974
161 HA ASP 31 HA ASP 31 0.731 -0.612 6.047
162 HB2 ASP 31 HB2 ASP 31 1.209 1.654 6.090
163 HB3 ASP 31 HB1 ASP 31 -0.422 2.112 5.606
164 H HIS 32 HN HIS 32 -0.153 -1.659 7.759
165 HA HIS 32 HA HIS 32 -3.081 -1.784 7.807
166 HB2 HIS 32 HB2 HIS 32 -0.959 -3.647 8.842
167 HB3 HIS 32 HB1 HIS 32 -2.648 -3.803 9.319
168 HD1 HIS 32 HD1 HIS 32 -4.119 -5.107 7.799
169 HD2 HIS 32 HD2 HIS 32 -0.598 -3.897 5.935
170 HE1 HIS 32 HE1 HIS 32 -4.132 -6.207 5.534
171 HE2 HIS 32 HE2 HIS 32 -1.920 -5.595 4.501
172 H ASN 33 HN ASN 33 -0.767 -0.033 9.318
173 HA ASN 33 HA ASN 33 -1.609 -0.401 12.051
174 HB2 ASN 33 HB2 ASN 33 0.130 1.783 10.885
175 HB3 ASN 33 HB1 ASN 33 -0.075 1.422 12.593
176 HD21 ASN 33 HD21 ASN 33 1.469 0.554 9.644
177 HD22 ASN 33 HD22 ASN 33 2.521 -0.658 10.310
178 H THR 34 HN THR 34 -2.085 2.070 9.540
179 HA THR 34 HA THR 34 -4.316 3.096 11.178
180 HB THR 34 HB THR 34 -2.491 4.720 11.270
181 HG1 THR 34 HG1 THR 34 -4.845 5.343 9.855
182 HG21 THR 34 HG21 THR 34 -1.348 4.153 9.183
183 HG22 THR 34 HG22 THR 34 -1.712 5.878 9.259
184 HG23 THR 34 HG23 THR 34 -2.699 4.812 8.260
185 H LYS 35 HN LYS 35 -3.831 1.263 8.716
186 HA LYS 35 HA LYS 35 -4.752 0.754 6.738
187 HB2 LYS 35 HB2 LYS 35 -7.064 2.340 7.859
188 HB3 LYS 35 HB1 LYS 35 -7.156 1.241 6.489
189 HG2 LYS 35 HG2 LYS 35 -6.503 0.508 9.340
190 HG3 LYS 35 HG1 LYS 35 -8.001 0.160 8.473
191 HD2 LYS 35 HD2 LYS 35 -6.628 -1.156 6.830
192 HD3 LYS 35 HD1 LYS 35 -5.254 -0.950 7.917
193 HE2 LYS 35 HE2 LYS 35 -7.871 -2.225 8.704
194 HE3 LYS 35 HE1 LYS 35 -6.456 -3.124 8.163
195 HZ1 LYS 35 HZ1 LYS 35 -5.239 -2.067 10.063
196 HZ2 LYS 35 HZ2 LYS 35 -6.460 -3.149 10.508
197 HZ3 LYS 35 HZ3 LYS 35 -6.733 -1.479 10.620
198 H THR 36 HN THR 36 -3.067 2.202 5.826
199 HA THR 36 HA THR 36 -4.415 4.137 4.076
200 HB THR 36 HB THR 36 -2.241 5.499 4.127
201 HG1 THR 36 HG1 THR 36 -1.860 3.790 6.357
202 HG21 THR 36 HG21 THR 36 -2.933 6.778 6.103
203 HG22 THR 36 HG22 THR 36 -3.956 5.436 6.612
204 HG23 THR 36 HG23 THR 36 -4.322 6.306 5.123
205 H THR 37 HN THR 37 -3.499 4.331 1.983
206 HA THR 37 HA THR 37 -1.573 2.243 1.269
207 HB THR 37 HB THR 37 -3.771 1.242 0.942
208 HG1 THR 37 HG1 THR 37 -2.076 0.837 -0.610
209 HG21 THR 37 HG21 THR 37 -5.102 3.268 0.649
210 HG22 THR 37 HG22 THR 37 -5.356 2.149 -0.690
211 HG23 THR 37 HG23 THR 37 -4.326 3.565 -0.906
212 H THR 38 HN THR 38 -0.438 2.588 -0.660
213 HA THR 38 HA THR 38 -0.946 5.033 -2.155
214 HB THR 38 HB THR 38 0.849 5.258 -0.182
215 HG1 THR 38 HG1 THR 38 1.306 6.368 -2.786
216 HG21 THR 38 HG21 THR 38 2.300 3.460 -0.954
217 HG22 THR 38 HG22 THR 38 3.132 5.012 -1.052
218 HG23 THR 38 HG23 THR 38 2.488 4.263 -2.514
219 H TRP 39 HN TRP 39 -0.029 4.991 -4.291
220 HA TRP 39 HA TRP 39 0.393 2.233 -5.196
221 HB2 TRP 39 HB2 TRP 39 -0.255 4.736 -6.764
222 HB3 TRP 39 HB1 TRP 39 -0.060 3.134 -7.462
223 HD1 TRP 39 HD1 TRP 39 -2.456 5.184 -5.292
224 HE1 TRP 39 HE1 TRP 39 -4.762 4.052 -5.322
225 HE3 TRP 39 HE3 TRP 39 -1.227 0.868 -7.812
226 HZ2 TRP 39 HZ2 TRP 39 -5.917 1.666 -6.274
227 HZ3 TRP 39 HZ3 TRP 39 -3.010 -0.773 -8.216
228 HH2 TRP 39 HH2 TRP 39 -5.298 -0.387 -7.470
229 H GLU 40 HN GLU 40 2.141 4.994 -4.514
230 HA GLU 40 HA GLU 40 4.174 4.744 -6.524
231 HB2 GLU 40 HB2 GLU 40 4.123 6.273 -3.908
232 HB3 GLU 40 HB1 GLU 40 5.392 6.404 -5.113
233 HG2 GLU 40 HG2 GLU 40 3.886 8.278 -5.271
234 HG3 GLU 40 HG1 GLU 40 3.776 7.287 -6.721
235 H ASP 41 HN ASP 41 5.193 5.035 -3.244
236 HA ASP 41 HA ASP 41 5.513 2.371 -2.511
237 HB2 ASP 41 HB2 ASP 41 7.893 2.000 -2.745
238 HB3 ASP 41 HB1 ASP 41 7.210 2.335 -4.328
239 HA PRO 42 HA PRO 42 5.499 4.745 1.198
240 HB2 PRO 42 HB2 PRO 42 6.242 2.647 2.845
241 HB3 PRO 42 HB1 PRO 42 4.593 3.043 2.357
242 HG2 PRO 42 HG2 PRO 42 6.462 1.015 1.233
243 HG3 PRO 42 HG1 PRO 42 4.719 0.924 1.498
244 HD2 PRO 42 HD2 PRO 42 5.716 1.320 -0.943
245 HD3 PRO 42 HD1 PRO 42 4.231 2.137 -0.415
246 H ARG 43 HN ARG 43 8.325 3.323 -0.113
247 HA ARG 43 HA ARG 43 10.145 3.667 1.985
248 HB2 ARG 43 HB2 ARG 43 10.618 3.991 -0.981
249 HB3 ARG 43 HB1 ARG 43 11.883 3.857 0.233
250 HG2 ARG 43 HG2 ARG 43 11.117 1.617 0.799
251 HG3 ARG 43 HG1 ARG 43 9.826 1.752 -0.398
252 HD2 ARG 43 HD2 ARG 43 12.789 1.843 -0.949
253 HD3 ARG 43 HD1 ARG 43 11.710 0.492 -1.286
254 HE ARG 43 HE ARG 43 10.659 2.715 -2.587
255 HH11 ARG 43 HH11 ARG 43 13.557 0.741 -2.717
256 HH12 ARG 43 HH12 ARG 43 13.821 1.026 -4.410
257 HH21 ARG 43 HH21 ARG 43 11.033 3.106 -4.817
258 HH22 ARG 43 HH22 ARG 43 12.396 2.361 -5.599
259 H LEU 44 HN LEU 44 8.487 5.981 0.065
260 HA LEU 44 HA LEU 44 10.297 8.138 0.627
261 HB2 LEU 44 HB2 LEU 44 8.488 9.568 -0.333
262 HB3 LEU 44 HB1 LEU 44 9.101 8.323 -1.398
263 HG LEU 44 HG LEU 44 7.039 6.954 -0.603
264 HD11 LEU 44 HD11 LEU 44 6.365 8.445 1.203
265 HD12 LEU 44 HD12 LEU 44 5.101 8.304 -0.018
266 HD13 LEU 44 HD13 LEU 44 6.114 9.747 0.041
267 HD21 LEU 44 HD21 LEU 44 7.359 7.758 -2.869
268 HD22 LEU 44 HD22 LEU 44 6.754 9.350 -2.406
269 HD23 LEU 44 HD23 LEU 44 5.679 7.952 -2.373
270 H LYS 45 HN LYS 45 7.900 6.549 2.458
271 HA LYS 45 HA LYS 45 7.948 8.777 4.361
272 HB2 LYS 45 HB2 LYS 45 5.919 9.215 3.180
273 HB3 LYS 45 HB1 LYS 45 5.428 7.527 3.276
274 HG2 LYS 45 HG2 LYS 45 5.059 7.690 5.623
275 HG3 LYS 45 HG1 LYS 45 5.776 9.300 5.680
276 HD2 LYS 45 HD2 LYS 45 3.968 10.221 4.414
277 HD3 LYS 45 HD1 LYS 45 3.310 8.616 4.092
278 HE2 LYS 45 HE2 LYS 45 2.110 9.881 5.872
279 HE3 LYS 45 HE1 LYS 45 2.729 8.312 6.382
280 HZ1 LYS 45 HZ1 LYS 45 4.116 10.888 6.894
281 HZ2 LYS 45 HZ2 LYS 45 4.529 9.367 7.508
282 HZ3 LYS 45 HZ3 LYS 45 3.100 10.117 8.005
283 H ILE 46 HN ILE 46 8.597 8.030 6.215
284 HA ILE 46 HA ILE 46 7.701 5.367 7.075
285 HB ILE 46 HB ILE 46 10.095 5.325 6.827
286 HG12 ILE 46 HG12 ILE 46 10.806 4.857 9.175
287 HG13 ILE 46 HG11 ILE 46 9.290 5.555 9.732
288 HG21 ILE 46 HG21 ILE 46 10.181 7.768 8.584
289 HG22 ILE 46 HG22 ILE 46 10.594 7.683 6.872
290 HG23 ILE 46 HG23 ILE 46 11.587 6.841 8.061
291 HD11 ILE 46 HD11 ILE 46 8.056 3.827 8.528
292 HD12 ILE 46 HD12 ILE 46 9.180 3.135 9.695
293 HD13 ILE 46 HD13 ILE 46 9.578 3.127 7.977
294 H THR 112 H THR 112 -8.924 2.853 -13.439
295 HA THR 112 HA THR 112 -7.255 1.938 -12.059
296 HB THR 112 HB THR 112 -5.322 2.803 -13.376
297 HG1 THR 112 HG1 THR 112 -4.304 2.241 -11.627
298 HG21 THR 112 HG21 THR 112 -6.010 5.121 -13.657
299 HG22 THR 112 HG22 THR 112 -4.432 5.040 -12.874
300 HG23 THR 112 HG23 THR 112 -5.874 5.390 -11.919
301 H ALA 113 HN ALA 113 -7.562 2.302 -9.877
302 HA ALA 113 HA ALA 113 -8.235 4.939 -8.914
303 HB1 ALA 113 HB1 ALA 113 -10.484 4.384 -8.157
304 HB2 ALA 113 HB2 ALA 113 -10.356 2.794 -8.909
305 HB3 ALA 113 HB3 ALA 113 -10.362 4.246 -9.911
306 HA PRO 114 HA PRO 114 -6.546 3.152 -5.218
307 HB2 PRO 114 HB2 PRO 114 -7.344 5.091 -3.483
308 HB3 PRO 114 HB1 PRO 114 -5.986 5.293 -4.594
309 HG2 PRO 114 HG2 PRO 114 -8.817 6.232 -4.873
310 HG3 PRO 114 HG1 PRO 114 -7.312 7.109 -5.213
311 HD2 PRO 114 HD2 PRO 114 -8.783 5.981 -7.166
312 HD3 PRO 114 HD1 PRO 114 -7.010 6.050 -7.245
313 HA PRO 115 HA PRO 115 -10.217 1.120 -3.679
314 HB2 PRO 115 HB2 PRO 115 -8.976 -0.746 -2.207
315 HB3 PRO 115 HB1 PRO 115 -8.929 -0.793 -3.974
316 HG2 PRO 115 HG2 PRO 115 -6.855 0.186 -2.054
317 HG3 PRO 115 HG1 PRO 115 -6.652 -0.809 -3.508
318 HD2 PRO 115 HD2 PRO 115 -6.210 1.896 -3.423
319 HD3 PRO 115 HD1 PRO 115 -6.660 1.012 -4.894
320 H GLU 116 HN GLU 116 -11.463 1.333 -1.860
321 HA GLU 116 HA GLU 116 -10.623 3.065 0.224
322 HB2 GLU 116 HB2 GLU 116 -12.755 2.376 1.344
323 HB3 GLU 116 HB1 GLU 116 -12.959 3.000 -0.284
324 HG2 GLU 116 HG2 GLU 116 -12.804 0.055 0.254
325 HG3 GLU 116 HG1 GLU 116 -14.314 0.948 0.417
326 H TYR 117 HN TYR 117 -9.440 2.604 1.980
327 HA TYR 117 HA TYR 117 -8.519 -0.124 2.186
328 HB2 TYR 117 HB2 TYR 117 -7.017 1.982 2.292
329 HB3 TYR 117 HB1 TYR 117 -7.586 2.123 3.950
330 HD1 TYR 117 HD1 TYR 117 -7.728 -1.020 4.283
331 HD2 TYR 117 HD2 TYR 117 -4.720 1.686 2.999
332 HE1 TYR 117 HE1 TYR 117 -6.009 -2.602 5.026
333 HE2 TYR 117 HE2 TYR 117 -2.992 0.110 3.738
334 HH TYR 117 HH TYR 117 -2.734 -1.722 5.297
335 H MET 118 HN MET 118 -9.539 -1.520 3.383
336 HA MET 118 HA MET 118 -9.318 -1.208 6.181
337 HB2 MET 118 HB2 MET 118 -11.495 -0.085 5.915
338 HB3 MET 118 HB1 MET 118 -12.147 -1.512 5.121
339 HG2 MET 118 HG2 MET 118 -12.843 -1.396 7.447
340 HG3 MET 118 HG1 MET 118 -11.825 -2.804 7.155
341 HE1 MET 118 HE1 MET 118 -10.756 0.963 7.545
342 HE2 MET 118 HE2 MET 118 -10.388 1.042 9.268
343 HE3 MET 118 HE3 MET 118 -12.048 0.779 8.730
344 H GLU 119 HN GLU 119 -8.109 -2.974 6.131
345 HA GLU 119 HA GLU 119 -9.369 -5.544 5.898
346 HB2 GLU 119 HB2 GLU 119 -8.828 -5.124 3.543
347 HB3 GLU 119 HB1 GLU 119 -7.159 -4.779 3.970
348 HG2 GLU 119 HG2 GLU 119 -6.829 -7.068 4.676
349 HG3 GLU 119 HG1 GLU 119 -8.525 -7.433 4.371
350 H ALA 120 HN ALA 120 -8.571 -6.719 7.487
351 HA ALA 120 HA ALA 120 -7.292 -7.445 9.207
352 HB1 ALA 120 HB1 ALA 120 -6.011 -8.374 7.341
353 HB2 ALA 120 HB2 ALA 120 -4.972 -7.956 8.702
354 HB3 ALA 120 HB3 ALA 120 -5.032 -6.907 7.285
Start of MODEL 8
1 H PHE 12 H PHE 12 9.858 -5.143 -1.589
2 HA PHE 12 HA PHE 12 10.737 -5.134 0.537
3 HB2 PHE 12 HB2 PHE 12 12.635 -3.732 1.205
4 HB3 PHE 12 HB1 PHE 12 13.098 -4.854 -0.066
5 HD1 PHE 12 HD2 PHE 12 13.345 -3.983 -2.417
6 HD2 PHE 12 HD1 PHE 12 12.904 -1.420 0.953
7 HE1 PHE 12 HE2 PHE 12 14.258 -2.112 -3.725
8 HE2 PHE 12 HE1 PHE 12 13.820 0.456 -0.350
9 HZ PHE 12 HZ PHE 12 14.498 0.110 -2.692
10 H LEU 13 HN LEU 13 9.374 -4.104 1.823
11 HA LEU 13 HA LEU 13 8.792 -1.290 1.322
12 HB2 LEU 13 HB2 LEU 13 6.290 -1.987 1.710
13 HB3 LEU 13 HB1 LEU 13 7.007 -2.020 0.114
14 HG LEU 13 HG LEU 13 7.384 -4.481 0.404
15 HD11 LEU 13 HD11 LEU 13 6.145 -5.656 2.136
16 HD12 LEU 13 HD12 LEU 13 5.635 -4.116 2.829
17 HD13 LEU 13 HD13 LEU 13 7.340 -4.568 2.843
18 HD21 LEU 13 HD21 LEU 13 5.053 -5.091 0.006
19 HD22 LEU 13 HD22 LEU 13 5.491 -3.617 -0.860
20 HD23 LEU 13 HD23 LEU 13 4.535 -3.520 0.620
21 HA PRO 14 HA PRO 14 8.642 -0.402 5.659
22 HB2 PRO 14 HB2 PRO 14 5.775 0.221 5.030
23 HB3 PRO 14 HB1 PRO 14 6.919 1.127 6.021
24 HG2 PRO 14 HG2 PRO 14 6.403 1.866 3.520
25 HG3 PRO 14 HG1 PRO 14 8.041 1.980 4.184
26 HD2 PRO 14 HD2 PRO 14 6.961 0.117 2.167
27 HD3 PRO 14 HD1 PRO 14 8.633 0.619 2.464
28 H LYS 15 HN LYS 15 8.430 -1.738 7.323
29 HA LYS 15 HA LYS 15 6.907 -4.093 7.303
30 HB2 LYS 15 HB2 LYS 15 7.469 -4.288 9.697
31 HB3 LYS 15 HB1 LYS 15 8.868 -3.917 8.709
32 HG2 LYS 15 HG2 LYS 15 7.365 -1.851 10.305
33 HG3 LYS 15 HG1 LYS 15 8.764 -2.736 10.909
34 HD2 LYS 15 HD2 LYS 15 10.026 -1.870 8.901
35 HD3 LYS 15 HD1 LYS 15 8.652 -0.808 8.599
36 HE2 LYS 15 HE2 LYS 15 10.440 -0.848 11.022
37 HE3 LYS 15 HE1 LYS 15 10.316 0.421 9.807
38 HZ1 LYS 15 HZ1 LYS 15 9.073 1.219 11.562
39 HZ2 LYS 15 HZ2 LYS 15 8.408 -0.296 11.939
40 HZ3 LYS 15 HZ3 LYS 15 7.878 0.543 10.560
41 H GLY 16 HN GLY 16 4.844 -4.449 7.608
42 HA2 GLY 16 HA2 GLY 16 2.840 -4.053 8.984
43 HA3 GLY 16 HA1 GLY 16 3.236 -2.340 8.919
44 H TRP 17 HN TRP 17 4.120 -2.921 6.042
45 HA TRP 17 HA TRP 17 1.456 -2.573 4.866
46 HB2 TRP 17 HB2 TRP 17 4.197 -1.825 3.834
47 HB3 TRP 17 HB1 TRP 17 2.727 -1.661 2.893
48 HD1 TRP 17 HD1 TRP 17 4.273 -0.306 6.161
49 HE1 TRP 17 HE1 TRP 17 3.438 2.098 6.508
50 HE3 TRP 17 HE3 TRP 17 0.930 0.001 2.246
51 HZ2 TRP 17 HZ2 TRP 17 1.653 3.897 5.285
52 HZ3 TRP 17 HZ3 TRP 17 -0.242 2.106 1.909
53 HH2 TRP 17 HH2 TRP 17 0.080 4.012 3.403
54 H GLU 18 HN GLU 18 0.661 -3.958 3.481
55 HA GLU 18 HA GLU 18 2.268 -6.240 2.568
56 HB2 GLU 18 HB2 GLU 18 -0.667 -5.734 2.944
57 HB3 GLU 18 HB1 GLU 18 -0.142 -6.977 1.824
58 HG2 GLU 18 HG2 GLU 18 0.518 -6.840 4.755
59 HG3 GLU 18 HG1 GLU 18 -0.672 -7.903 4.007
60 H VAL 19 HN VAL 19 2.394 -6.727 0.327
61 HA VAL 19 HA VAL 19 1.369 -4.595 -1.414
62 HB VAL 19 HB VAL 19 3.833 -5.156 -1.547
63 HG11 VAL 19 HG11 VAL 19 2.835 -7.631 -2.941
64 HG12 VAL 19 HG12 VAL 19 3.666 -7.588 -1.384
65 HG13 VAL 19 HG13 VAL 19 4.512 -7.087 -2.851
66 HG21 VAL 19 HG21 VAL 19 2.172 -5.406 -4.042
67 HG22 VAL 19 HG22 VAL 19 3.892 -5.021 -4.000
68 HG23 VAL 19 HG23 VAL 19 2.720 -3.911 -3.286
69 H ARG 20 HN ARG 20 -0.301 -4.975 -2.673
70 HA ARG 20 HA ARG 20 -0.985 -7.760 -3.316
71 HB2 ARG 20 HB2 ARG 20 -2.450 -6.916 -1.488
72 HB3 ARG 20 HB1 ARG 20 -2.960 -5.599 -2.536
73 HG2 ARG 20 HG2 ARG 20 -3.952 -7.187 -4.086
74 HG3 ARG 20 HG1 ARG 20 -3.396 -8.530 -3.086
75 HD2 ARG 20 HD2 ARG 20 -5.321 -6.377 -2.210
76 HD3 ARG 20 HD1 ARG 20 -5.773 -8.002 -2.720
77 HE ARG 20 HE ARG 20 -3.966 -8.363 -0.683
78 HH11 ARG 20 HH11 ARG 20 -7.057 -6.749 -1.023
79 HH12 ARG 20 HH12 ARG 20 -7.516 -6.999 0.636
80 HH21 ARG 20 HH21 ARG 20 -4.550 -8.689 1.477
81 HH22 ARG 20 HH22 ARG 20 -6.087 -8.118 2.058
82 H HIS 21 HN HIS 21 -1.513 -8.092 -5.414
83 HA HIS 21 HA HIS 21 -1.132 -5.803 -7.173
84 HB2 HIS 21 HB2 HIS 21 -0.101 -8.240 -7.366
85 HB3 HIS 21 HB1 HIS 21 -1.608 -8.555 -8.222
86 HD1 HIS 21 HD1 HIS 21 -1.846 -7.622 -10.581
87 HD2 HIS 21 HD2 HIS 21 1.617 -6.374 -8.629
88 HE1 HIS 21 HE1 HIS 21 -0.445 -6.473 -12.334
89 HE2 HIS 21 HE2 HIS 21 1.698 -5.843 -11.164
90 H ALA 22 HN ALA 22 -2.795 -4.692 -7.858
91 HA ALA 22 HA ALA 22 -5.477 -5.831 -7.734
92 HB1 ALA 22 HB1 ALA 22 -6.246 -3.541 -8.076
93 HB2 ALA 22 HB2 ALA 22 -4.586 -3.006 -8.333
94 HB3 ALA 22 HB3 ALA 22 -5.082 -3.609 -6.756
95 HA PRO 23 HA PRO 23 -6.030 -6.359 -12.142
96 HB2 PRO 23 HB2 PRO 23 -8.564 -4.838 -11.915
97 HB3 PRO 23 HB1 PRO 23 -8.285 -6.483 -12.493
98 HG2 PRO 23 HG2 PRO 23 -9.423 -6.045 -10.123
99 HG3 PRO 23 HG1 PRO 23 -8.273 -7.376 -10.355
100 HD2 PRO 23 HD2 PRO 23 -7.842 -4.700 -9.082
101 HD3 PRO 23 HD1 PRO 23 -7.257 -6.298 -8.570
102 H ASN 24 HN ASN 24 -5.527 -3.453 -10.693
103 HA ASN 24 HA ASN 24 -5.861 -1.616 -12.838
104 HB2 ASN 24 HB2 ASN 24 -5.638 -1.078 -10.356
105 HB3 ASN 24 HB1 ASN 24 -3.912 -1.355 -10.563
106 HD21 ASN 24 HD21 ASN 24 -6.136 0.136 -12.854
107 HD22 ASN 24 HD22 ASN 24 -5.372 1.692 -12.849
108 H GLY 25 HN GLY 25 -3.910 -4.238 -12.591
109 HA2 GLY 25 HA2 GLY 25 -1.936 -4.896 -13.587
110 HA3 GLY 25 HA1 GLY 25 -1.998 -3.411 -14.540
111 H ARG 26 HN ARG 26 -2.156 -3.546 -11.079
112 HA ARG 26 HA ARG 26 0.471 -2.362 -10.801
113 HB2 ARG 26 HB2 ARG 26 -0.882 -0.462 -11.438
114 HB3 ARG 26 HB1 ARG 26 -2.112 -0.875 -10.257
115 HG2 ARG 26 HG2 ARG 26 -0.766 -0.178 -8.491
116 HG3 ARG 26 HG1 ARG 26 0.714 -0.301 -9.443
117 HD2 ARG 26 HD2 ARG 26 -0.107 1.592 -10.835
118 HD3 ARG 26 HD1 ARG 26 -1.464 1.760 -9.717
119 HE ARG 26 HE ARG 26 0.610 1.856 -8.052
120 HH11 ARG 26 HH11 ARG 26 -0.096 3.580 -11.011
121 HH12 ARG 26 HH12 ARG 26 0.923 4.932 -10.630
122 HH21 ARG 26 HH21 ARG 26 1.985 3.618 -7.548
123 HH22 ARG 26 HH22 ARG 26 2.111 4.959 -8.649
124 HA PRO 27 HA PRO 27 -0.312 -4.114 -6.711
125 HB2 PRO 27 HB2 PRO 27 2.267 -3.537 -5.788
126 HB3 PRO 27 HB1 PRO 27 1.754 -5.038 -6.551
127 HG2 PRO 27 HG2 PRO 27 3.564 -3.128 -7.585
128 HG3 PRO 27 HG1 PRO 27 2.909 -4.543 -8.419
129 HD2 PRO 27 HD2 PRO 27 2.114 -1.697 -8.616
130 HD3 PRO 27 HD1 PRO 27 1.964 -3.012 -9.801
131 H PHE 28 HN PHE 28 -1.305 -3.057 -5.116
132 HA PHE 28 HA PHE 28 -0.461 -0.309 -4.532
133 HB2 PHE 28 HB2 PHE 28 -2.666 0.009 -3.488
134 HB3 PHE 28 HB1 PHE 28 -2.808 -0.493 -5.164
135 HD1 PHE 28 HD2 PHE 28 -3.202 -3.050 -5.546
136 HD2 PHE 28 HD1 PHE 28 -3.929 -1.024 -1.879
137 HE1 PHE 28 HE2 PHE 28 -4.751 -4.842 -4.866
138 HE2 PHE 28 HE1 PHE 28 -5.481 -2.802 -1.200
139 HZ PHE 28 HZ PHE 28 -5.895 -4.715 -2.692
140 H PHE 29 HN PHE 29 0.155 0.285 -2.512
141 HA PHE 29 HA PHE 29 1.078 -1.874 -0.784
142 HB2 PHE 29 HB2 PHE 29 1.571 1.116 -0.681
143 HB3 PHE 29 HB1 PHE 29 2.420 -0.103 0.270
144 HD1 PHE 29 HD2 PHE 29 3.868 -1.765 -0.907
145 HD2 PHE 29 HD1 PHE 29 2.190 1.613 -2.890
146 HE1 PHE 29 HE2 PHE 29 5.472 -2.060 -2.747
147 HE2 PHE 29 HE1 PHE 29 3.797 1.320 -4.740
148 HZ PHE 29 HZ PHE 29 5.436 -0.522 -4.666
149 H ILE 30 HN ILE 30 0.331 -2.205 1.320
150 HA ILE 30 HA ILE 30 -1.719 -0.337 2.171
151 HB ILE 30 HB ILE 30 -3.203 -2.315 2.788
152 HG12 ILE 30 HG12 ILE 30 -1.397 -3.726 0.821
153 HG13 ILE 30 HG11 ILE 30 -1.465 -4.050 2.549
154 HG21 ILE 30 HG21 ILE 30 -2.686 -1.750 -0.125
155 HG22 ILE 30 HG22 ILE 30 -3.742 -0.831 0.949
156 HG23 ILE 30 HG23 ILE 30 -4.143 -2.498 0.531
157 HD11 ILE 30 HD11 ILE 30 -3.790 -4.765 2.314
158 HD12 ILE 30 HD12 ILE 30 -2.700 -5.715 1.305
159 HD13 ILE 30 HD13 ILE 30 -3.703 -4.459 0.579
160 H ASP 31 HN ASP 31 -1.624 0.262 4.161
161 HA ASP 31 HA ASP 31 -0.024 -1.229 6.091
162 HB2 ASP 31 HB2 ASP 31 0.424 1.104 6.099
163 HB3 ASP 31 HB1 ASP 31 -1.291 1.507 6.108
164 H HIS 32 HN HIS 32 -0.856 -2.499 7.602
165 HA HIS 32 HA HIS 32 -3.751 -2.725 7.784
166 HB2 HIS 32 HB2 HIS 32 -1.520 -4.398 8.947
167 HB3 HIS 32 HB1 HIS 32 -3.222 -4.694 9.279
168 HD1 HIS 32 HD1 HIS 32 -4.502 -6.044 7.591
169 HD2 HIS 32 HD2 HIS 32 -0.786 -4.814 6.187
170 HE1 HIS 32 HE1 HIS 32 -4.199 -7.198 5.381
171 HE2 HIS 32 HE2 HIS 32 -1.842 -6.636 4.690
172 H ASN 33 HN ASN 33 -1.310 -1.067 9.418
173 HA ASN 33 HA ASN 33 -2.258 -1.410 12.096
174 HB2 ASN 33 HB2 ASN 33 -0.436 0.714 10.940
175 HB3 ASN 33 HB1 ASN 33 -0.739 0.472 12.656
176 HD21 ASN 33 HD21 ASN 33 0.938 -0.612 9.858
177 HD22 ASN 33 HD22 ASN 33 1.913 -1.810 10.657
178 H THR 34 HN THR 34 -2.292 1.394 9.907
179 HA THR 34 HA THR 34 -4.370 2.597 11.604
180 HB THR 34 HB THR 34 -3.758 4.721 10.543
181 HG1 THR 34 HG1 THR 34 -1.968 3.058 9.052
182 HG21 THR 34 HG21 THR 34 -1.367 3.186 11.577
183 HG22 THR 34 HG22 THR 34 -2.553 4.055 12.559
184 HG23 THR 34 HG23 THR 34 -1.490 4.943 11.471
185 H LYS 35 HN LYS 35 -4.252 0.726 8.975
186 HA LYS 35 HA LYS 35 -5.597 0.263 7.225
187 HB2 LYS 35 HB2 LYS 35 -7.561 2.106 8.601
188 HB3 LYS 35 HB1 LYS 35 -7.948 0.942 7.345
189 HG2 LYS 35 HG2 LYS 35 -6.959 0.315 10.123
190 HG3 LYS 35 HG1 LYS 35 -8.599 0.094 9.513
191 HD2 LYS 35 HD2 LYS 35 -7.707 -1.502 7.838
192 HD3 LYS 35 HD1 LYS 35 -6.116 -1.342 8.582
193 HE2 LYS 35 HE2 LYS 35 -8.609 -2.336 9.960
194 HE3 LYS 35 HE1 LYS 35 -7.309 -3.352 9.339
195 HZ1 LYS 35 HZ1 LYS 35 -7.062 -3.027 11.692
196 HZ2 LYS 35 HZ2 LYS 35 -7.090 -1.342 11.514
197 HZ3 LYS 35 HZ3 LYS 35 -5.790 -2.239 10.893
198 H THR 36 HN THR 36 -4.018 1.449 5.938
199 HA THR 36 HA THR 36 -5.316 3.553 4.420
200 HB THR 36 HB THR 36 -4.059 4.759 6.197
201 HG1 THR 36 HG1 THR 36 -3.845 6.239 4.722
202 HG21 THR 36 HG21 THR 36 -1.609 4.828 6.095
203 HG22 THR 36 HG22 THR 36 -1.628 3.564 4.862
204 HG23 THR 36 HG23 THR 36 -2.195 3.215 6.496
205 H THR 37 HN THR 37 -4.394 3.854 2.311
206 HA THR 37 HA THR 37 -2.464 1.795 1.509
207 HB THR 37 HB THR 37 -4.677 0.876 1.035
208 HG1 THR 37 HG1 THR 37 -2.882 0.584 -0.478
209 HG21 THR 37 HG21 THR 37 -6.146 1.947 -0.636
210 HG22 THR 37 HG22 THR 37 -5.079 3.353 -0.644
211 HG23 THR 37 HG23 THR 37 -5.960 2.925 0.822
212 H THR 38 HN THR 38 -1.257 2.249 -0.339
213 HA THR 38 HA THR 38 -1.655 4.784 -1.707
214 HB THR 38 HB THR 38 -0.172 5.487 0.046
215 HG1 THR 38 HG1 THR 38 1.895 5.379 -1.638
216 HG21 THR 38 HG21 THR 38 1.609 3.185 -0.751
217 HG22 THR 38 HG22 THR 38 0.660 3.297 0.731
218 HG23 THR 38 HG23 THR 38 1.993 4.418 0.451
219 H TRP 39 HN TRP 39 -0.919 4.795 -3.798
220 HA TRP 39 HA TRP 39 -0.142 2.215 -4.871
221 HB2 TRP 39 HB2 TRP 39 -0.701 4.841 -6.274
222 HB3 TRP 39 HB1 TRP 39 -0.395 3.308 -7.078
223 HD1 TRP 39 HD1 TRP 39 -3.070 5.176 -5.104
224 HE1 TRP 39 HE1 TRP 39 -5.315 3.958 -5.391
225 HE3 TRP 39 HE3 TRP 39 -1.419 0.975 -7.574
226 HZ2 TRP 39 HZ2 TRP 39 -6.272 1.561 -6.503
227 HZ3 TRP 39 HZ3 TRP 39 -3.092 -0.725 -8.196
228 HH2 TRP 39 HH2 TRP 39 -5.458 -0.440 -7.675
229 H GLU 40 HN GLU 40 1.337 5.021 -3.772
230 HA GLU 40 HA GLU 40 3.800 4.533 -5.301
231 HB2 GLU 40 HB2 GLU 40 2.932 6.906 -3.634
232 HB3 GLU 40 HB1 GLU 40 4.502 6.755 -4.409
233 HG2 GLU 40 HG2 GLU 40 1.854 6.810 -5.842
234 HG3 GLU 40 HG1 GLU 40 2.956 8.174 -5.671
235 H ASP 41 HN ASP 41 5.652 3.942 -4.279
236 HA ASP 41 HA ASP 41 5.597 2.454 -1.956
237 HB2 ASP 41 HB2 ASP 41 7.938 3.922 -3.185
238 HB3 ASP 41 HB1 ASP 41 8.079 2.685 -1.944
239 HA PRO 42 HA PRO 42 5.640 5.798 1.100
240 HB2 PRO 42 HB2 PRO 42 5.304 4.173 3.260
241 HB3 PRO 42 HB1 PRO 42 3.969 4.774 2.271
242 HG2 PRO 42 HG2 PRO 42 5.303 2.108 2.237
243 HG3 PRO 42 HG1 PRO 42 3.600 2.524 2.043
244 HD2 PRO 42 HD2 PRO 42 5.218 1.892 -0.041
245 HD3 PRO 42 HD1 PRO 42 3.815 2.968 -0.186
246 H ARG 43 HN ARG 43 7.649 3.034 0.660
247 HA ARG 43 HA ARG 43 9.565 3.857 2.653
248 HB2 ARG 43 HB2 ARG 43 11.076 2.166 1.558
249 HB3 ARG 43 HB1 ARG 43 9.571 1.520 2.190
250 HG2 ARG 43 HG2 ARG 43 9.823 0.445 0.155
251 HG3 ARG 43 HG1 ARG 43 8.696 1.749 -0.214
252 HD2 ARG 43 HD2 ARG 43 10.611 3.096 -1.045
253 HD3 ARG 43 HD1 ARG 43 11.668 1.716 -0.755
254 HE ARG 43 HE ARG 43 9.433 1.098 -2.460
255 HH11 ARG 43 HH11 ARG 43 12.712 2.346 -2.373
256 HH12 ARG 43 HH12 ARG 43 13.016 2.033 -4.052
257 HH21 ARG 43 HH21 ARG 43 9.825 0.673 -4.650
258 HH22 ARG 43 HH22 ARG 43 11.364 1.077 -5.359
259 H LEU 44 HN LEU 44 8.718 4.750 -0.481
260 HA LEU 44 HA LEU 44 11.243 5.959 -1.144
261 HB2 LEU 44 HB2 LEU 44 9.550 5.124 -2.828
262 HB3 LEU 44 HB1 LEU 44 8.531 6.476 -2.380
263 HG LEU 44 HG LEU 44 9.906 6.707 -4.508
264 HD11 LEU 44 HD11 LEU 44 8.823 8.610 -3.455
265 HD12 LEU 44 HD12 LEU 44 10.390 9.065 -4.125
266 HD13 LEU 44 HD13 LEU 44 10.210 8.822 -2.388
267 HD21 LEU 44 HD21 LEU 44 11.993 5.782 -3.661
268 HD22 LEU 44 HD22 LEU 44 12.126 7.112 -2.510
269 HD23 LEU 44 HD23 LEU 44 12.222 7.432 -4.240
270 H LYS 45 HN LYS 45 8.175 6.876 0.360
271 HA LYS 45 HA LYS 45 9.177 9.631 0.547
272 HB2 LYS 45 HB2 LYS 45 6.642 8.692 -0.044
273 HB3 LYS 45 HB1 LYS 45 6.511 9.194 1.637
274 HG2 LYS 45 HG2 LYS 45 7.349 10.870 -0.713
275 HG3 LYS 45 HG1 LYS 45 5.899 11.043 0.274
276 HD2 LYS 45 HD2 LYS 45 8.698 11.356 1.351
277 HD3 LYS 45 HD1 LYS 45 7.735 12.702 0.744
278 HE2 LYS 45 HE2 LYS 45 6.044 12.298 2.434
279 HE3 LYS 45 HE1 LYS 45 6.923 10.880 3.008
280 HZ1 LYS 45 HZ1 LYS 45 8.221 13.535 2.973
281 HZ2 LYS 45 HZ2 LYS 45 8.592 12.179 3.932
282 HZ3 LYS 45 HZ3 LYS 45 7.203 13.095 4.254
283 H ILE 46 HN ILE 46 10.567 9.655 2.207
284 HA ILE 46 HA ILE 46 9.484 8.898 4.835
285 HB ILE 46 HB ILE 46 12.391 8.937 3.996
286 HG12 ILE 46 HG12 ILE 46 10.575 6.609 4.667
287 HG13 ILE 46 HG11 ILE 46 11.117 7.043 3.049
288 HG21 ILE 46 HG21 ILE 46 11.122 8.141 6.615
289 HG22 ILE 46 HG22 ILE 46 12.101 9.579 6.331
290 HG23 ILE 46 HG23 ILE 46 12.830 7.976 6.210
291 HD11 ILE 46 HD11 ILE 46 12.892 6.175 5.318
292 HD12 ILE 46 HD12 ILE 46 13.416 6.574 3.681
293 HD13 ILE 46 HD13 ILE 46 12.382 5.172 3.960
294 H THR 112 H THR 112 -7.485 5.758 -11.959
295 HA THR 112 HA THR 112 -6.219 3.629 -10.346
296 HB THR 112 HB THR 112 -4.680 5.685 -9.821
297 HG1 THR 112 HG1 THR 112 -4.540 7.155 -11.508
298 HG21 THR 112 HG21 THR 112 -4.504 4.208 -12.450
299 HG22 THR 112 HG22 THR 112 -3.912 3.624 -10.895
300 HG23 THR 112 HG23 THR 112 -3.175 5.040 -11.645
301 H ALA 113 HN ALA 113 -7.651 3.430 -8.705
302 HA ALA 113 HA ALA 113 -8.265 5.873 -7.188
303 HB1 ALA 113 HB1 ALA 113 -10.205 3.645 -7.781
304 HB2 ALA 113 HB2 ALA 113 -10.249 5.264 -8.474
305 HB3 ALA 113 HB3 ALA 113 -10.521 5.037 -6.748
306 HA PRO 114 HA PRO 114 -6.551 3.438 -3.874
307 HB2 PRO 114 HB2 PRO 114 -7.292 5.115 -1.849
308 HB3 PRO 114 HB1 PRO 114 -5.893 5.402 -2.890
309 HG2 PRO 114 HG2 PRO 114 -8.641 6.576 -3.046
310 HG3 PRO 114 HG1 PRO 114 -7.069 7.370 -3.258
311 HD2 PRO 114 HD2 PRO 114 -8.612 6.652 -5.351
312 HD3 PRO 114 HD1 PRO 114 -6.839 6.615 -5.428
313 HA PRO 115 HA PRO 115 -10.336 1.255 -2.868
314 HB2 PRO 115 HB2 PRO 115 -9.125 -0.779 -1.532
315 HB3 PRO 115 HB1 PRO 115 -9.152 -0.675 -3.296
316 HG2 PRO 115 HG2 PRO 115 -6.976 0.094 -1.392
317 HG3 PRO 115 HG1 PRO 115 -6.861 -0.790 -2.926
318 HD2 PRO 115 HD2 PRO 115 -6.278 1.836 -2.731
319 HD3 PRO 115 HD1 PRO 115 -7.003 1.132 -4.192
320 H GLU 116 HN GLU 116 -11.682 1.614 -1.193
321 HA GLU 116 HA GLU 116 -10.975 2.819 1.221
322 HB2 GLU 116 HB2 GLU 116 -13.195 1.963 2.053
323 HB3 GLU 116 HB1 GLU 116 -13.268 2.871 0.551
324 HG2 GLU 116 HG2 GLU 116 -13.524 0.868 -0.726
325 HG3 GLU 116 HG1 GLU 116 -13.229 -0.133 0.695
326 H TYR 117 HN TYR 117 -10.040 2.048 3.040
327 HA TYR 117 HA TYR 117 -9.094 -0.691 2.769
328 HB2 TYR 117 HB2 TYR 117 -7.512 1.281 2.985
329 HB3 TYR 117 HB1 TYR 117 -8.019 1.379 4.668
330 HD1 TYR 117 HD1 TYR 117 -7.788 -0.822 6.060
331 HD2 TYR 117 HD2 TYR 117 -5.746 -0.090 2.411
332 HE1 TYR 117 HE1 TYR 117 -6.144 -2.546 6.648
333 HE2 TYR 117 HE2 TYR 117 -4.101 -1.809 2.993
334 HH TYR 117 HH TYR 117 -3.214 -2.910 4.971
335 H MET 118 HN MET 118 -10.011 -2.218 3.890
336 HA MET 118 HA MET 118 -9.687 -2.072 6.718
337 HB2 MET 118 HB2 MET 118 -11.970 -1.245 6.597
338 HB3 MET 118 HB1 MET 118 -12.463 -2.641 5.650
339 HG2 MET 118 HG2 MET 118 -13.120 -2.827 8.004
340 HG3 MET 118 HG1 MET 118 -12.008 -4.105 7.518
341 HE1 MET 118 HE1 MET 118 -12.665 -3.383 10.564
342 HE2 MET 118 HE2 MET 118 -11.053 -3.474 11.270
343 HE3 MET 118 HE3 MET 118 -11.563 -4.671 10.080
344 H GLU 119 HN GLU 119 -8.137 -3.496 6.173
345 HA GLU 119 HA GLU 119 -8.992 -6.078 5.054
346 HB2 GLU 119 HB2 GLU 119 -6.360 -4.644 4.667
347 HB3 GLU 119 HB1 GLU 119 -6.732 -6.250 4.061
348 HG2 GLU 119 HG2 GLU 119 -8.120 -3.702 3.265
349 HG3 GLU 119 HG1 GLU 119 -6.915 -4.572 2.315
350 H ALA 120 HN ALA 120 -8.734 -7.730 6.334
351 HA ALA 120 HA ALA 120 -6.522 -7.709 8.275
352 HB1 ALA 120 HB1 ALA 120 -9.230 -9.018 8.567
353 HB2 ALA 120 HB2 ALA 120 -8.662 -7.597 9.440
354 HB3 ALA 120 HB3 ALA 120 -7.896 -9.160 9.711
Start of MODEL 9
1 H PHE 12 H PHE 12 11.464 -7.647 0.582
2 HA PHE 12 HA PHE 12 12.836 -5.709 0.219
3 HB2 PHE 12 HB2 PHE 12 11.791 -6.822 -1.703
4 HB3 PHE 12 HB1 PHE 12 10.357 -5.820 -1.519
5 HD1 PHE 12 HD1 PHE 12 14.044 -5.451 -1.954
6 HD2 PHE 12 HD2 PHE 12 10.159 -3.976 -2.860
7 HE1 PHE 12 HE1 PHE 12 15.037 -3.768 -3.447
8 HE2 PHE 12 HE2 PHE 12 11.141 -2.290 -4.355
9 HZ PHE 12 HZ PHE 12 13.583 -2.182 -4.649
10 H LEU 13 HN LEU 13 9.824 -5.063 1.649
11 HA LEU 13 HA LEU 13 10.488 -2.219 1.732
12 HB2 LEU 13 HB2 LEU 13 7.944 -1.797 1.555
13 HB3 LEU 13 HB1 LEU 13 8.865 -2.082 0.091
14 HG LEU 13 HG LEU 13 8.085 -4.536 0.328
15 HD11 LEU 13 HD11 LEU 13 6.051 -3.169 2.075
16 HD12 LEU 13 HD12 LEU 13 7.240 -4.360 2.604
17 HD13 LEU 13 HD13 LEU 13 5.963 -4.826 1.480
18 HD21 LEU 13 HD21 LEU 13 6.123 -2.346 -0.339
19 HD22 LEU 13 HD22 LEU 13 5.996 -4.030 -0.844
20 HD23 LEU 13 HD23 LEU 13 7.329 -3.033 -1.428
21 HA PRO 14 HA PRO 14 9.447 -1.816 6.056
22 HB2 PRO 14 HB2 PRO 14 6.814 -0.730 5.111
23 HB3 PRO 14 HB1 PRO 14 7.827 -0.167 6.443
24 HG2 PRO 14 HG2 PRO 14 7.894 1.094 4.127
25 HG3 PRO 14 HG1 PRO 14 9.406 0.777 5.002
26 HD2 PRO 14 HD2 PRO 14 8.334 -0.505 2.552
27 HD3 PRO 14 HD1 PRO 14 10.013 -0.283 3.065
28 H LYS 15 HN LYS 15 8.689 -3.243 7.515
29 HA LYS 15 HA LYS 15 7.107 -5.451 6.680
30 HB2 LYS 15 HB2 LYS 15 7.218 -6.164 9.043
31 HB3 LYS 15 HB1 LYS 15 8.796 -5.739 8.396
32 HG2 LYS 15 HG2 LYS 15 8.776 -3.640 9.558
33 HG3 LYS 15 HG1 LYS 15 7.108 -3.893 10.072
34 HD2 LYS 15 HD2 LYS 15 8.577 -4.381 11.914
35 HD3 LYS 15 HD1 LYS 15 7.848 -5.884 11.350
36 HE2 LYS 15 HE2 LYS 15 10.218 -6.184 11.831
37 HE3 LYS 15 HE1 LYS 15 9.889 -6.411 10.113
38 HZ1 LYS 15 HZ1 LYS 15 10.835 -4.343 9.595
39 HZ2 LYS 15 HZ2 LYS 15 11.906 -5.037 10.714
40 HZ3 LYS 15 HZ3 LYS 15 10.831 -3.823 11.211
41 H GLY 16 HN GLY 16 6.282 -2.350 7.732
42 HA2 GLY 16 HA2 GLY 16 3.732 -3.054 8.901
43 HA3 GLY 16 HA1 GLY 16 4.316 -1.430 8.562
44 H TRP 17 HN TRP 17 4.955 -2.473 5.749
45 HA TRP 17 HA TRP 17 2.242 -2.042 4.698
46 HB2 TRP 17 HB2 TRP 17 4.943 -1.400 3.491
47 HB3 TRP 17 HB1 TRP 17 3.431 -1.252 2.621
48 HD1 TRP 17 HD1 TRP 17 5.297 0.287 5.602
49 HE1 TRP 17 HE1 TRP 17 4.491 2.700 5.937
50 HE3 TRP 17 HE3 TRP 17 1.471 0.394 2.139
51 HZ2 TRP 17 HZ2 TRP 17 2.547 4.427 4.874
52 HZ3 TRP 17 HZ3 TRP 17 0.235 2.479 1.871
53 HH2 TRP 17 HH2 TRP 17 0.743 4.453 3.213
54 H GLU 18 HN GLU 18 1.430 -3.393 3.187
55 HA GLU 18 HA GLU 18 3.071 -5.706 2.381
56 HB2 GLU 18 HB2 GLU 18 1.159 -6.323 3.803
57 HB3 GLU 18 HB1 GLU 18 0.068 -5.498 2.704
58 HG2 GLU 18 HG2 GLU 18 0.033 -7.934 2.425
59 HG3 GLU 18 HG1 GLU 18 0.539 -7.087 0.963
60 H VAL 19 HN VAL 19 2.873 -6.393 0.204
61 HA VAL 19 HA VAL 19 1.952 -4.250 -1.569
62 HB VAL 19 HB VAL 19 4.306 -4.732 -1.813
63 HG11 VAL 19 HG11 VAL 19 5.142 -6.886 -2.605
64 HG12 VAL 19 HG12 VAL 19 3.519 -7.561 -2.471
65 HG13 VAL 19 HG13 VAL 19 4.372 -7.024 -1.024
66 HG21 VAL 19 HG21 VAL 19 2.698 -5.733 -4.148
67 HG22 VAL 19 HG22 VAL 19 4.388 -5.228 -4.217
68 HG23 VAL 19 HG23 VAL 19 3.134 -4.063 -3.793
69 H ARG 20 HN ARG 20 -0.206 -4.749 -1.730
70 HA ARG 20 HA ARG 20 -0.925 -7.433 -2.661
71 HB2 ARG 20 HB2 ARG 20 -2.214 -6.210 -0.792
72 HB3 ARG 20 HB1 ARG 20 -2.868 -5.196 -2.072
73 HG2 ARG 20 HG2 ARG 20 -3.565 -7.404 -3.188
74 HG3 ARG 20 HG1 ARG 20 -3.273 -8.128 -1.609
75 HD2 ARG 20 HD2 ARG 20 -5.086 -5.759 -1.995
76 HD3 ARG 20 HD1 ARG 20 -5.658 -7.414 -2.152
77 HE ARG 20 HE ARG 20 -4.350 -6.759 0.373
78 HH11 ARG 20 HH11 ARG 20 -7.335 -7.114 -1.424
79 HH12 ARG 20 HH12 ARG 20 -8.332 -7.205 -0.004
80 HH21 ARG 20 HH21 ARG 20 -5.678 -6.859 2.267
81 HH22 ARG 20 HH22 ARG 20 -7.403 -7.061 2.074
82 H HIS 21 HN HIS 21 -1.307 -7.823 -4.757
83 HA HIS 21 HA HIS 21 -0.924 -5.577 -6.575
84 HB2 HIS 21 HB2 HIS 21 0.253 -7.917 -6.660
85 HB3 HIS 21 HB1 HIS 21 -1.224 -8.420 -7.479
86 HD1 HIS 21 HD1 HIS 21 -1.688 -7.396 -9.837
87 HD2 HIS 21 HD2 HIS 21 1.958 -6.316 -8.143
88 HE1 HIS 21 HE1 HIS 21 -0.376 -6.312 -11.685
89 HE2 HIS 21 HE2 HIS 21 1.866 -5.759 -10.673
90 H ALA 22 HN ALA 22 -2.468 -4.685 -7.753
91 HA ALA 22 HA ALA 22 -5.166 -5.833 -7.613
92 HB1 ALA 22 HB1 ALA 22 -5.982 -3.621 -8.025
93 HB2 ALA 22 HB2 ALA 22 -4.366 -3.045 -8.433
94 HB3 ALA 22 HB3 ALA 22 -4.740 -3.514 -6.781
95 HA PRO 23 HA PRO 23 -5.369 -6.534 -12.042
96 HB2 PRO 23 HB2 PRO 23 -8.038 -5.282 -12.049
97 HB3 PRO 23 HB1 PRO 23 -7.574 -6.937 -12.459
98 HG2 PRO 23 HG2 PRO 23 -8.911 -6.384 -10.204
99 HG3 PRO 23 HG1 PRO 23 -7.667 -7.648 -10.257
100 HD2 PRO 23 HD2 PRO 23 -7.481 -4.848 -9.203
101 HD3 PRO 23 HD1 PRO 23 -6.850 -6.356 -8.506
102 H ASN 24 HN ASN 24 -5.097 -3.606 -10.658
103 HA ASN 24 HA ASN 24 -5.558 -1.835 -12.852
104 HB2 ASN 24 HB2 ASN 24 -5.515 -1.175 -10.422
105 HB3 ASN 24 HB1 ASN 24 -3.773 -1.407 -10.460
106 HD21 ASN 24 HD21 ASN 24 -5.640 -0.070 -13.113
107 HD22 ASN 24 HD22 ASN 24 -4.989 1.524 -13.011
108 H GLY 25 HN GLY 25 -3.501 -4.307 -12.651
109 HA2 GLY 25 HA2 GLY 25 -1.440 -4.837 -13.529
110 HA3 GLY 25 HA1 GLY 25 -1.572 -3.367 -14.499
111 H ARG 26 HN ARG 26 -1.858 -3.378 -11.071
112 HA ARG 26 HA ARG 26 0.740 -2.140 -10.712
113 HB2 ARG 26 HB2 ARG 26 -0.613 -0.248 -11.313
114 HB3 ARG 26 HB1 ARG 26 -1.910 -0.755 -10.240
115 HG2 ARG 26 HG2 ARG 26 -0.881 0.116 -8.419
116 HG3 ARG 26 HG1 ARG 26 0.734 -0.305 -8.990
117 HD2 ARG 26 HD2 ARG 26 0.515 2.089 -8.934
118 HD3 ARG 26 HD1 ARG 26 0.598 1.549 -10.606
119 HE ARG 26 HE ARG 26 -2.088 1.796 -9.708
120 HH11 ARG 26 HH11 ARG 26 0.657 3.629 -10.851
121 HH12 ARG 26 HH12 ARG 26 -0.299 4.920 -11.505
122 HH21 ARG 26 HH21 ARG 26 -3.364 3.487 -10.543
123 HH22 ARG 26 HH22 ARG 26 -2.603 4.858 -11.294
124 HA PRO 27 HA PRO 27 -0.083 -3.918 -6.635
125 HB2 PRO 27 HB2 PRO 27 2.497 -3.220 -5.739
126 HB3 PRO 27 HB1 PRO 27 1.995 -4.790 -6.359
127 HG2 PRO 27 HG2 PRO 27 3.820 -3.038 -7.554
128 HG3 PRO 27 HG1 PRO 27 3.049 -4.429 -8.333
129 HD2 PRO 27 HD2 PRO 27 2.377 -1.534 -8.513
130 HD3 PRO 27 HD1 PRO 27 2.222 -2.823 -9.727
131 H PHE 28 HN PHE 28 -1.196 -2.737 -5.137
132 HA PHE 28 HA PHE 28 -0.295 -0.005 -4.642
133 HB2 PHE 28 HB2 PHE 28 -2.403 0.317 -3.406
134 HB3 PHE 28 HB1 PHE 28 -2.667 -0.188 -5.064
135 HD1 PHE 28 HD1 PHE 28 -2.523 -1.533 -1.594
136 HD2 PHE 28 HD2 PHE 28 -4.142 -1.906 -5.507
137 HE1 PHE 28 HE1 PHE 28 -4.063 -3.269 -0.788
138 HE2 PHE 28 HE2 PHE 28 -5.686 -3.653 -4.698
139 HZ PHE 28 HZ PHE 28 -5.642 -4.331 -2.343
140 H PHE 29 HN PHE 29 0.398 0.690 -2.654
141 HA PHE 29 HA PHE 29 1.477 -1.394 -0.923
142 HB2 PHE 29 HB2 PHE 29 1.928 1.597 -0.920
143 HB3 PHE 29 HB1 PHE 29 2.847 0.411 0.004
144 HD1 PHE 29 HD2 PHE 29 4.348 -1.164 -1.160
145 HD2 PHE 29 HD1 PHE 29 2.343 1.973 -3.224
146 HE1 PHE 29 HE2 PHE 29 5.873 -1.451 -3.069
147 HE2 PHE 29 HE1 PHE 29 3.862 1.688 -5.140
148 HZ PHE 29 HZ PHE 29 5.626 -0.030 -5.064
149 H ILE 30 HN ILE 30 0.765 -1.775 1.151
150 HA ILE 30 HA ILE 30 -1.180 0.135 2.171
151 HB ILE 30 HB ILE 30 -2.563 -1.838 2.999
152 HG12 ILE 30 HG12 ILE 30 -0.981 -3.269 0.857
153 HG13 ILE 30 HG11 ILE 30 -0.865 -3.577 2.584
154 HG21 ILE 30 HG21 ILE 30 -2.388 -1.289 0.049
155 HG22 ILE 30 HG22 ILE 30 -3.324 -0.381 1.238
156 HG23 ILE 30 HG23 ILE 30 -3.750 -2.051 0.867
157 HD11 ILE 30 HD11 ILE 30 -3.310 -3.992 0.880
158 HD12 ILE 30 HD12 ILE 30 -3.191 -4.307 2.611
159 HD13 ILE 30 HD13 ILE 30 -2.230 -5.252 1.474
160 H ASP 31 HN ASP 31 -0.978 0.731 4.152
161 HA ASP 31 HA ASP 31 0.878 -0.668 5.902
162 HB2 ASP 31 HB2 ASP 31 1.079 1.768 5.729
163 HB3 ASP 31 HB1 ASP 31 -0.590 1.953 6.265
164 H HIS 32 HN HIS 32 0.304 -1.904 7.535
165 HA HIS 32 HA HIS 32 -2.523 -2.470 7.929
166 HB2 HIS 32 HB2 HIS 32 -0.084 -3.812 9.117
167 HB3 HIS 32 HB1 HIS 32 -1.740 -4.367 9.299
168 HD1 HIS 32 HD1 HIS 32 -2.785 -5.640 7.316
169 HD2 HIS 32 HD2 HIS 32 1.086 -4.319 6.614
170 HE1 HIS 32 HE1 HIS 32 -1.997 -6.906 5.301
171 HE2 HIS 32 HE2 HIS 32 0.442 -6.324 5.116
172 H ASN 33 HN ASN 33 -0.223 -0.470 9.371
173 HA ASN 33 HA ASN 33 -1.036 -0.893 12.113
174 HB2 ASN 33 HB2 ASN 33 0.596 1.386 10.970
175 HB3 ASN 33 HB1 ASN 33 0.460 0.943 12.667
176 HD21 ASN 33 HD21 ASN 33 2.005 0.327 9.667
177 HD22 ASN 33 HD22 ASN 33 3.094 -0.893 10.241
178 H THR 34 HN THR 34 -1.629 1.350 9.527
179 HA THR 34 HA THR 34 -4.189 2.013 10.744
180 HB THR 34 HB THR 34 -2.297 4.178 9.779
181 HG1 THR 34 HG1 THR 34 -2.298 2.958 12.083
182 HG21 THR 34 HG21 THR 34 -3.999 5.720 10.646
183 HG22 THR 34 HG22 THR 34 -5.025 4.348 11.069
184 HG23 THR 34 HG23 THR 34 -4.659 4.689 9.378
185 H LYS 35 HN LYS 35 -5.535 1.394 9.197
186 HA LYS 35 HA LYS 35 -5.098 0.467 6.754
187 HB2 LYS 35 HB2 LYS 35 -7.464 2.199 7.478
188 HB3 LYS 35 HB1 LYS 35 -7.418 1.010 6.184
189 HG2 LYS 35 HG2 LYS 35 -7.130 -0.777 7.793
190 HG3 LYS 35 HG1 LYS 35 -7.086 0.394 9.112
191 HD2 LYS 35 HD2 LYS 35 -9.370 1.045 8.660
192 HD3 LYS 35 HD1 LYS 35 -9.420 -0.006 7.243
193 HE2 LYS 35 HE2 LYS 35 -10.546 -1.117 9.043
194 HE3 LYS 35 HE1 LYS 35 -9.020 -1.947 8.747
195 HZ1 LYS 35 HZ1 LYS 35 -8.108 -0.542 10.621
196 HZ2 LYS 35 HZ2 LYS 35 -9.210 -1.757 11.053
197 HZ3 LYS 35 HZ3 LYS 35 -9.717 -0.136 10.985
198 H THR 36 HN THR 36 -3.592 1.408 5.403
199 HA THR 36 HA THR 36 -4.556 3.856 4.071
200 HB THR 36 HB THR 36 -1.666 3.420 4.861
201 HG1 THR 36 HG1 THR 36 -3.021 3.987 6.644
202 HG21 THR 36 HG21 THR 36 -1.345 5.722 4.077
203 HG22 THR 36 HG22 THR 36 -3.030 5.785 3.564
204 HG23 THR 36 HG23 THR 36 -1.909 4.674 2.775
205 H THR 37 HN THR 37 -4.363 3.891 1.906
206 HA THR 37 HA THR 37 -2.844 1.733 0.581
207 HB THR 37 HB THR 37 -4.495 2.176 -1.336
208 HG1 THR 37 HG1 THR 37 -5.375 4.101 -0.425
209 HG21 THR 37 HG21 THR 37 -4.644 0.108 -0.201
210 HG22 THR 37 HG22 THR 37 -6.284 0.759 -0.234
211 HG23 THR 37 HG23 THR 37 -5.320 0.863 1.236
212 H THR 38 HN THR 38 -1.201 2.442 -0.688
213 HA THR 38 HA THR 38 -1.503 5.091 -1.942
214 HB THR 38 HB THR 38 0.916 5.455 -1.745
215 HG1 THR 38 HG1 THR 38 2.147 3.815 -1.277
216 HG21 THR 38 HG21 THR 38 -0.356 4.808 0.917
217 HG22 THR 38 HG22 THR 38 -0.534 6.325 0.031
218 HG23 THR 38 HG23 THR 38 1.043 5.852 0.665
219 H TRP 39 HN TRP 39 -0.863 5.246 -4.094
220 HA TRP 39 HA TRP 39 -0.172 2.718 -5.402
221 HB2 TRP 39 HB2 TRP 39 -0.848 5.419 -6.596
222 HB3 TRP 39 HB1 TRP 39 -0.520 3.959 -7.519
223 HD1 TRP 39 HD1 TRP 39 -3.272 5.788 -5.750
224 HE1 TRP 39 HE1 TRP 39 -5.472 4.471 -5.969
225 HE3 TRP 39 HE3 TRP 39 -1.417 1.378 -7.591
226 HZ2 TRP 39 HZ2 TRP 39 -6.317 1.917 -6.806
227 HZ3 TRP 39 HZ3 TRP 39 -2.981 -0.436 -8.078
228 HH2 TRP 39 HH2 TRP 39 -5.383 -0.186 -7.688
229 H GLU 40 HN GLU 40 1.220 5.426 -4.084
230 HA GLU 40 HA GLU 40 3.704 5.125 -5.619
231 HB2 GLU 40 HB2 GLU 40 2.755 7.371 -3.821
232 HB3 GLU 40 HB1 GLU 40 4.304 7.332 -4.658
233 HG2 GLU 40 HG2 GLU 40 3.307 7.549 -6.760
234 HG3 GLU 40 HG1 GLU 40 1.715 7.112 -6.145
235 H ASP 41 HN ASP 41 5.572 4.568 -4.577
236 HA ASP 41 HA ASP 41 5.331 2.941 -2.300
237 HB2 ASP 41 HB2 ASP 41 7.042 2.665 -4.088
238 HB3 ASP 41 HB1 ASP 41 7.866 4.094 -3.471
239 HA PRO 42 HA PRO 42 5.432 6.118 0.796
240 HB2 PRO 42 HB2 PRO 42 5.410 4.526 2.963
241 HB3 PRO 42 HB1 PRO 42 3.988 4.751 1.935
242 HG2 PRO 42 HG2 PRO 42 6.004 2.528 1.908
243 HG3 PRO 42 HG1 PRO 42 4.235 2.432 1.890
244 HD2 PRO 42 HD2 PRO 42 5.675 2.191 -0.361
245 HD3 PRO 42 HD1 PRO 42 4.093 2.998 -0.352
246 H ARG 43 HN ARG 43 8.027 3.913 0.241
247 HA ARG 43 HA ARG 43 9.606 4.543 2.522
248 HB2 ARG 43 HB2 ARG 43 10.326 3.485 -0.204
249 HB3 ARG 43 HB1 ARG 43 11.547 3.819 1.015
250 HG2 ARG 43 HG2 ARG 43 10.638 2.180 2.485
251 HG3 ARG 43 HG1 ARG 43 9.217 1.969 1.458
252 HD2 ARG 43 HD2 ARG 43 12.042 1.372 0.583
253 HD3 ARG 43 HD1 ARG 43 10.936 0.166 1.239
254 HE ARG 43 HE ARG 43 9.497 1.217 -0.775
255 HH11 ARG 43 HH11 ARG 43 12.788 -0.004 -0.659
256 HH12 ARG 43 HH12 ARG 43 12.772 -0.507 -2.322
257 HH21 ARG 43 HH21 ARG 43 9.462 0.535 -2.905
258 HH22 ARG 43 HH22 ARG 43 10.886 -0.176 -3.626
259 H LEU 44 HN LEU 44 8.770 6.313 -0.250
260 HA LEU 44 HA LEU 44 10.972 8.158 -0.099
261 HB2 LEU 44 HB2 LEU 44 8.300 8.394 -1.487
262 HB3 LEU 44 HB1 LEU 44 9.634 9.517 -1.670
263 HG LEU 44 HG LEU 44 9.680 6.607 -2.479
264 HD11 LEU 44 HD11 LEU 44 9.696 7.475 -4.763
265 HD12 LEU 44 HD12 LEU 44 9.516 9.116 -4.142
266 HD13 LEU 44 HD13 LEU 44 8.226 7.937 -3.906
267 HD21 LEU 44 HD21 LEU 44 11.718 8.800 -2.861
268 HD22 LEU 44 HD22 LEU 44 11.811 7.180 -3.551
269 HD23 LEU 44 HD23 LEU 44 11.880 7.398 -1.802
270 H LYS 45 HN LYS 45 8.200 7.614 1.748
271 HA LYS 45 HA LYS 45 8.039 10.433 2.581
272 HB2 LYS 45 HB2 LYS 45 5.936 9.260 1.910
273 HB3 LYS 45 HB1 LYS 45 6.164 8.161 3.261
274 HG2 LYS 45 HG2 LYS 45 4.562 9.834 3.874
275 HG3 LYS 45 HG1 LYS 45 6.039 10.089 4.805
276 HD2 LYS 45 HD2 LYS 45 5.253 12.224 4.048
277 HD3 LYS 45 HD1 LYS 45 6.709 11.821 3.136
278 HE2 LYS 45 HE2 LYS 45 5.106 12.716 1.603
279 HE3 LYS 45 HE1 LYS 45 5.238 10.985 1.301
280 HZ1 LYS 45 HZ1 LYS 45 2.939 11.690 1.282
281 HZ2 LYS 45 HZ2 LYS 45 3.082 12.324 2.849
282 HZ3 LYS 45 HZ3 LYS 45 3.209 10.652 2.597
283 H ILE 46 HN ILE 46 9.206 7.374 3.571
284 HA ILE 46 HA ILE 46 9.482 8.341 6.332
285 HB ILE 46 HB ILE 46 9.936 5.909 6.898
286 HG12 ILE 46 HG12 ILE 46 8.686 5.474 4.174
287 HG13 ILE 46 HG11 ILE 46 10.363 5.134 4.590
288 HG21 ILE 46 HG21 ILE 46 7.540 5.358 6.977
289 HG22 ILE 46 HG22 ILE 46 7.212 6.692 5.872
290 HG23 ILE 46 HG23 ILE 46 7.865 7.019 7.478
291 HD11 ILE 46 HD11 ILE 46 7.946 3.799 5.782
292 HD12 ILE 46 HD12 ILE 46 9.626 3.453 6.190
293 HD13 ILE 46 HD13 ILE 46 9.025 3.113 4.567
294 H THR 112 H THR 112 -11.344 5.259 -11.631
295 HA THR 112 HA THR 112 -10.186 3.254 -10.936
296 HB THR 112 HB THR 112 -7.777 4.561 -12.226
297 HG1 THR 112 HG1 THR 112 -8.447 3.526 -13.951
298 HG21 THR 112 HG21 THR 112 -7.222 3.304 -10.204
299 HG22 THR 112 HG22 THR 112 -6.632 2.467 -11.641
300 HG23 THR 112 HG23 THR 112 -8.091 1.901 -10.826
301 H ALA 113 HN ALA 113 -10.002 3.519 -8.818
302 HA ALA 113 HA ALA 113 -8.723 5.958 -7.780
303 HB1 ALA 113 HB1 ALA 113 -11.358 4.820 -6.844
304 HB2 ALA 113 HB2 ALA 113 -11.151 6.292 -7.793
305 HB3 ALA 113 HB3 ALA 113 -10.522 6.208 -6.147
306 HA PRO 114 HA PRO 114 -6.705 3.351 -4.784
307 HB2 PRO 114 HB2 PRO 114 -7.561 5.290 -2.702
308 HB3 PRO 114 HB1 PRO 114 -5.936 4.743 -3.129
309 HG2 PRO 114 HG2 PRO 114 -6.767 7.183 -3.792
310 HG3 PRO 114 HG1 PRO 114 -5.757 6.232 -4.898
311 HD2 PRO 114 HD2 PRO 114 -8.710 6.724 -4.973
312 HD3 PRO 114 HD1 PRO 114 -7.541 6.685 -6.310
313 HA PRO 115 HA PRO 115 -10.252 1.059 -3.283
314 HB2 PRO 115 HB2 PRO 115 -8.812 -0.986 -2.182
315 HB3 PRO 115 HB1 PRO 115 -9.160 -0.862 -3.910
316 HG2 PRO 115 HG2 PRO 115 -6.676 -0.113 -2.417
317 HG3 PRO 115 HG1 PRO 115 -6.838 -0.941 -3.978
318 HD2 PRO 115 HD2 PRO 115 -6.238 1.680 -3.798
319 HD3 PRO 115 HD1 PRO 115 -7.218 1.025 -5.124
320 H GLU 116 HN GLU 116 -11.320 1.050 -1.380
321 HA GLU 116 HA GLU 116 -10.249 2.458 0.841
322 HB2 GLU 116 HB2 GLU 116 -12.352 1.776 1.999
323 HB3 GLU 116 HB1 GLU 116 -12.622 2.559 0.453
324 HG2 GLU 116 HG2 GLU 116 -12.614 -0.429 0.745
325 HG3 GLU 116 HG1 GLU 116 -14.056 0.540 1.026
326 H TYR 117 HN TYR 117 -8.935 1.720 2.372
327 HA TYR 117 HA TYR 117 -8.181 -1.040 2.418
328 HB2 TYR 117 HB2 TYR 117 -6.637 0.906 2.874
329 HB3 TYR 117 HB1 TYR 117 -7.441 1.113 4.418
330 HD1 TYR 117 HD2 TYR 117 -7.669 -1.482 5.577
331 HD2 TYR 117 HD1 TYR 117 -4.535 0.038 3.144
332 HE1 TYR 117 HE2 TYR 117 -6.115 -3.083 6.596
333 HE2 TYR 117 HE1 TYR 117 -2.973 -1.562 4.158
334 HH TYR 117 HH TYR 117 -3.911 -4.219 5.869
335 H MET 118 HN MET 118 -9.278 -2.557 3.384
336 HA MET 118 HA MET 118 -9.998 -2.271 6.162
337 HB2 MET 118 HB2 MET 118 -12.072 -2.836 4.042
338 HB3 MET 118 HB1 MET 118 -12.289 -3.329 5.707
339 HG2 MET 118 HG2 MET 118 -11.879 -0.485 4.819
340 HG3 MET 118 HG1 MET 118 -13.449 -1.229 5.112
341 HE1 MET 118 HE1 MET 118 -12.873 -3.080 7.631
342 HE2 MET 118 HE2 MET 118 -14.291 -2.041 7.491
343 HE3 MET 118 HE3 MET 118 -13.302 -1.988 8.949
344 H GLU 119 HN GLU 119 -8.695 -3.908 6.750
345 HA GLU 119 HA GLU 119 -9.353 -6.569 5.665
346 HB2 GLU 119 HB2 GLU 119 -6.705 -5.871 6.945
347 HB3 GLU 119 HB1 GLU 119 -7.115 -7.319 6.039
348 HG2 GLU 119 HG2 GLU 119 -7.261 -6.022 3.992
349 HG3 GLU 119 HG1 GLU 119 -6.864 -4.553 4.891
350 H ALA 120 HN ALA 120 -9.328 -4.475 8.265
351 HA ALA 120 HA ALA 120 -10.619 -6.150 10.073
352 HB1 ALA 120 HB1 ALA 120 -8.448 -7.264 10.315
353 HB2 ALA 120 HB2 ALA 120 -8.900 -6.429 11.801
354 HB3 ALA 120 HB3 ALA 120 -7.697 -5.723 10.722
Start of MODEL 10
1 H PHE 12 H PHE 12 11.050 -7.931 -0.290
2 HA PHE 12 HA PHE 12 11.870 -5.851 0.646
3 HB2 PHE 12 HB2 PHE 12 12.764 -6.705 -1.488
4 HB3 PHE 12 HB1 PHE 12 11.516 -5.820 -2.360
5 HD1 PHE 12 HD1 PHE 12 14.188 -5.188 0.165
6 HD2 PHE 12 HD2 PHE 12 12.088 -3.791 -3.262
7 HE1 PHE 12 HE1 PHE 12 15.668 -3.228 0.062
8 HE2 PHE 12 HE2 PHE 12 13.565 -1.827 -3.371
9 HZ PHE 12 HZ PHE 12 15.359 -1.543 -1.707
10 H LEU 13 HN LEU 13 10.360 -4.667 1.798
11 HA LEU 13 HA LEU 13 9.315 -2.352 0.353
12 HB2 LEU 13 HB2 LEU 13 7.617 -3.878 2.344
13 HB3 LEU 13 HB1 LEU 13 7.159 -2.441 1.460
14 HG LEU 13 HG LEU 13 7.578 -4.028 -0.633
15 HD11 LEU 13 HD11 LEU 13 6.784 -6.297 -0.159
16 HD12 LEU 13 HD12 LEU 13 6.806 -5.935 1.567
17 HD13 LEU 13 HD13 LEU 13 8.312 -5.950 0.651
18 HD21 LEU 13 HD21 LEU 13 5.094 -4.135 1.065
19 HD22 LEU 13 HD22 LEU 13 5.201 -4.455 -0.666
20 HD23 LEU 13 HD23 LEU 13 5.519 -2.834 -0.046
21 HA PRO 14 HA PRO 14 10.027 0.056 4.298
22 HB2 PRO 14 HB2 PRO 14 7.015 -0.097 4.271
23 HB3 PRO 14 HB1 PRO 14 8.041 1.241 4.786
24 HG2 PRO 14 HG2 PRO 14 6.978 1.298 2.390
25 HG3 PRO 14 HG1 PRO 14 8.683 1.747 2.594
26 HD2 PRO 14 HD2 PRO 14 7.509 -0.705 1.418
27 HD3 PRO 14 HD1 PRO 14 9.039 0.098 1.050
28 H LYS 15 HN LYS 15 7.599 -0.315 6.189
29 HA LYS 15 HA LYS 15 7.922 -3.100 6.994
30 HB2 LYS 15 HB2 LYS 15 9.555 -1.431 8.206
31 HB3 LYS 15 HB1 LYS 15 8.118 -0.977 9.107
32 HG2 LYS 15 HG2 LYS 15 9.184 -3.788 8.918
33 HG3 LYS 15 HG1 LYS 15 9.540 -2.672 10.235
34 HD2 LYS 15 HD2 LYS 15 7.164 -2.562 10.790
35 HD3 LYS 15 HD1 LYS 15 6.792 -3.648 9.449
36 HE2 LYS 15 HE2 LYS 15 8.498 -4.313 11.847
37 HE3 LYS 15 HE1 LYS 15 6.835 -4.835 11.589
38 HZ1 LYS 15 HZ1 LYS 15 9.174 -5.557 9.904
39 HZ2 LYS 15 HZ2 LYS 15 7.574 -6.021 9.597
40 HZ3 LYS 15 HZ3 LYS 15 8.365 -6.582 10.987
41 H GLY 16 HN GLY 16 5.932 -3.881 7.160
42 HA2 GLY 16 HA2 GLY 16 3.846 -3.989 8.324
43 HA3 GLY 16 HA1 GLY 16 3.883 -2.237 8.485
44 H TRP 17 HN TRP 17 4.886 -2.916 5.450
45 HA TRP 17 HA TRP 17 2.206 -2.436 4.363
46 HB2 TRP 17 HB2 TRP 17 4.946 -1.822 3.262
47 HB3 TRP 17 HB1 TRP 17 3.478 -1.647 2.324
48 HD1 TRP 17 HD1 TRP 17 5.373 -0.093 5.237
49 HE1 TRP 17 HE1 TRP 17 4.496 2.294 5.625
50 HE3 TRP 17 HE3 TRP 17 1.296 -0.137 2.045
51 HZ2 TRP 17 HZ2 TRP 17 2.412 3.940 4.705
52 HZ3 TRP 17 HZ3 TRP 17 -0.010 1.894 1.854
53 HH2 TRP 17 HH2 TRP 17 0.501 3.887 3.166
54 H GLU 18 HN GLU 18 1.256 -3.947 3.300
55 HA GLU 18 HA GLU 18 2.721 -6.269 2.281
56 HB2 GLU 18 HB2 GLU 18 -0.196 -5.675 2.775
57 HB3 GLU 18 HB1 GLU 18 0.331 -7.104 1.901
58 HG2 GLU 18 HG2 GLU 18 1.115 -6.404 4.721
59 HG3 GLU 18 HG1 GLU 18 -0.142 -7.553 4.262
60 H VAL 19 HN VAL 19 2.513 -6.904 0.084
61 HA VAL 19 HA VAL 19 1.773 -4.689 -1.679
62 HB VAL 19 HB VAL 19 4.021 -5.493 -2.051
63 HG11 VAL 19 HG11 VAL 19 2.804 -8.198 -2.579
64 HG12 VAL 19 HG12 VAL 19 3.805 -7.759 -1.194
65 HG13 VAL 19 HG13 VAL 19 4.498 -7.765 -2.816
66 HG21 VAL 19 HG21 VAL 19 2.799 -4.729 -4.004
67 HG22 VAL 19 HG22 VAL 19 2.173 -6.357 -4.272
68 HG23 VAL 19 HG23 VAL 19 3.899 -6.037 -4.439
69 H ARG 20 HN ARG 20 -0.268 -4.735 -2.284
70 HA ARG 20 HA ARG 20 -1.472 -7.338 -2.957
71 HB2 ARG 20 HB2 ARG 20 -2.626 -6.116 -1.146
72 HB3 ARG 20 HB1 ARG 20 -2.850 -4.743 -2.221
73 HG2 ARG 20 HG2 ARG 20 -4.208 -6.163 -3.706
74 HG3 ARG 20 HG1 ARG 20 -4.028 -7.491 -2.562
75 HD2 ARG 20 HD2 ARG 20 -5.177 -4.837 -1.755
76 HD3 ARG 20 HD1 ARG 20 -6.175 -6.110 -2.454
77 HE ARG 20 HE ARG 20 -4.828 -6.189 0.154
78 HH11 ARG 20 HH11 ARG 20 -7.019 -7.593 -2.188
79 HH12 ARG 20 HH12 ARG 20 -7.768 -8.660 -1.037
80 HH21 ARG 20 HH21 ARG 20 -5.854 -7.570 1.701
81 HH22 ARG 20 HH22 ARG 20 -7.096 -8.664 1.148
82 H HIS 21 HN HIS 21 -1.986 -7.720 -5.019
83 HA HIS 21 HA HIS 21 -1.436 -5.593 -6.939
84 HB2 HIS 21 HB2 HIS 21 -0.584 -8.128 -6.931
85 HB3 HIS 21 HB1 HIS 21 -2.085 -8.359 -7.824
86 HD1 HIS 21 HD1 HIS 21 -2.240 -7.293 -10.182
87 HD2 HIS 21 HD2 HIS 21 1.415 -6.735 -8.279
88 HE1 HIS 21 HE1 HIS 21 -0.684 -6.395 -11.940
89 HE2 HIS 21 HE2 HIS 21 1.465 -5.931 -10.739
90 H ALA 22 HN ALA 22 -2.996 -4.526 -7.921
91 HA ALA 22 HA ALA 22 -5.771 -5.253 -7.531
92 HB1 ALA 22 HB1 ALA 22 -4.966 -2.909 -7.344
93 HB2 ALA 22 HB2 ALA 22 -6.246 -3.096 -8.541
94 HB3 ALA 22 HB3 ALA 22 -4.570 -2.936 -9.061
95 HA PRO 23 HA PRO 23 -6.586 -6.674 -11.815
96 HB2 PRO 23 HB2 PRO 23 -8.295 -4.299 -12.303
97 HB3 PRO 23 HB1 PRO 23 -8.678 -6.014 -12.484
98 HG2 PRO 23 HG2 PRO 23 -9.661 -4.592 -10.450
99 HG3 PRO 23 HG1 PRO 23 -9.158 -6.278 -10.229
100 HD2 PRO 23 HD2 PRO 23 -7.750 -3.757 -9.446
101 HD3 PRO 23 HD1 PRO 23 -7.866 -5.302 -8.577
102 H ASN 24 HN ASN 24 -5.534 -3.518 -11.037
103 HA ASN 24 HA ASN 24 -4.477 -2.801 -13.613
104 HB2 ASN 24 HB2 ASN 24 -5.068 -1.212 -11.695
105 HB3 ASN 24 HB1 ASN 24 -3.592 -1.772 -10.921
106 HD21 ASN 24 HD21 ASN 24 -4.260 0.894 -11.769
107 HD22 ASN 24 HD22 ASN 24 -3.041 1.365 -12.914
108 H GLY 25 HN GLY 25 -2.479 -3.369 -14.437
109 HA2 GLY 25 HA2 GLY 25 -0.907 -5.417 -13.344
110 HA3 GLY 25 HA1 GLY 25 -0.338 -4.235 -14.520
111 H ARG 26 HN ARG 26 -1.212 -2.184 -12.486
112 HA ARG 26 HA ARG 26 1.209 -1.769 -11.075
113 HB2 ARG 26 HB2 ARG 26 -0.238 0.047 -11.809
114 HB3 ARG 26 HB1 ARG 26 -1.555 -0.564 -10.823
115 HG2 ARG 26 HG2 ARG 26 -0.588 1.283 -9.712
116 HG3 ARG 26 HG1 ARG 26 -0.057 -0.162 -8.850
117 HD2 ARG 26 HD2 ARG 26 2.082 -0.080 -9.923
118 HD3 ARG 26 HD1 ARG 26 1.550 1.250 -10.954
119 HE ARG 26 HE ARG 26 1.569 1.599 -8.048
120 HH11 ARG 26 HH11 ARG 26 2.724 2.474 -11.242
121 HH12 ARG 26 HH12 ARG 26 3.656 3.834 -10.676
122 HH21 ARG 26 HH21 ARG 26 2.843 3.373 -7.306
123 HH22 ARG 26 HH22 ARG 26 3.692 4.364 -8.456
124 HA PRO 27 HA PRO 27 -0.154 -3.856 -7.255
125 HB2 PRO 27 HB2 PRO 27 2.495 -3.482 -6.233
126 HB3 PRO 27 HB1 PRO 27 1.769 -4.979 -6.806
127 HG2 PRO 27 HG2 PRO 27 3.867 -3.680 -8.042
128 HG3 PRO 27 HG1 PRO 27 2.773 -4.821 -8.846
129 HD2 PRO 27 HD2 PRO 27 2.750 -1.826 -8.878
130 HD3 PRO 27 HD1 PRO 27 2.410 -2.982 -10.191
131 H PHE 28 HN PHE 28 -0.948 -2.833 -5.453
132 HA PHE 28 HA PHE 28 0.176 -0.180 -4.859
133 HB2 PHE 28 HB2 PHE 28 -1.954 0.474 -3.911
134 HB3 PHE 28 HB1 PHE 28 -2.182 -0.091 -5.557
135 HD1 PHE 28 HD1 PHE 28 -3.333 -2.211 -5.991
136 HD2 PHE 28 HD2 PHE 28 -2.923 -0.649 -2.053
137 HE1 PHE 28 HE1 PHE 28 -5.142 -3.693 -5.207
138 HE2 PHE 28 HE2 PHE 28 -4.723 -2.127 -1.277
139 HZ PHE 28 HZ PHE 28 -5.837 -3.644 -2.856
140 H PHE 29 HN PHE 29 0.370 0.417 -2.642
141 HA PHE 29 HA PHE 29 1.289 -1.875 -1.067
142 HB2 PHE 29 HB2 PHE 29 1.895 1.080 -0.852
143 HB3 PHE 29 HB1 PHE 29 2.674 -0.192 0.086
144 HD1 PHE 29 HD2 PHE 29 3.835 -2.047 -1.270
145 HD2 PHE 29 HD1 PHE 29 2.771 1.736 -2.889
146 HE1 PHE 29 HE2 PHE 29 5.429 -2.400 -3.107
147 HE2 PHE 29 HE1 PHE 29 4.355 1.386 -4.746
148 HZ PHE 29 HZ PHE 29 5.683 -0.686 -4.857
149 H ILE 30 HN ILE 30 0.637 -2.232 1.061
150 HA ILE 30 HA ILE 30 -1.370 -0.380 2.046
151 HB ILE 30 HB ILE 30 -2.695 -2.427 2.878
152 HG12 ILE 30 HG12 ILE 30 -1.102 -3.725 0.663
153 HG13 ILE 30 HG11 ILE 30 -0.954 -4.092 2.378
154 HG21 ILE 30 HG21 ILE 30 -2.607 -1.799 -0.063
155 HG22 ILE 30 HG22 ILE 30 -3.529 -0.934 1.169
156 HG23 ILE 30 HG23 ILE 30 -3.930 -2.607 0.780
157 HD11 ILE 30 HD11 ILE 30 -3.396 -4.540 0.676
158 HD12 ILE 30 HD12 ILE 30 -3.260 -4.901 2.397
159 HD13 ILE 30 HD13 ILE 30 -2.265 -5.774 1.230
160 H ASP 31 HN ASP 31 -1.237 0.223 4.022
161 HA ASP 31 HA ASP 31 0.652 -1.080 5.831
162 HB2 ASP 31 HB2 ASP 31 1.091 1.196 5.836
163 HB3 ASP 31 HB1 ASP 31 -0.608 1.630 5.668
164 H HIS 32 HN HIS 32 0.070 -2.176 7.578
165 HA HIS 32 HA HIS 32 -2.797 -2.510 8.069
166 HB2 HIS 32 HB2 HIS 32 -0.392 -4.172 8.808
167 HB3 HIS 32 HB1 HIS 32 -1.996 -4.488 9.461
168 HD1 HIS 32 HD1 HIS 32 -3.439 -5.986 8.124
169 HD2 HIS 32 HD2 HIS 32 -0.368 -4.336 5.852
170 HE1 HIS 32 HE1 HIS 32 -3.614 -7.058 5.852
171 HE2 HIS 32 HE2 HIS 32 -1.912 -5.870 4.451
172 H ASN 33 HN ASN 33 -0.565 -0.465 9.222
173 HA ASN 33 HA ASN 33 -1.039 -0.909 12.056
174 HB2 ASN 33 HB2 ASN 33 0.501 1.286 10.658
175 HB3 ASN 33 HB1 ASN 33 0.395 1.081 12.401
176 HD21 ASN 33 HD21 ASN 33 1.827 -0.017 9.463
177 HD22 ASN 33 HD22 ASN 33 2.973 -1.108 10.190
178 H THR 34 HN THR 34 -1.946 1.424 9.551
179 HA THR 34 HA THR 34 -4.024 2.426 11.375
180 HB THR 34 HB THR 34 -2.177 3.992 11.568
181 HG1 THR 34 HG1 THR 34 -4.413 4.911 10.065
182 HG21 THR 34 HG21 THR 34 -1.039 3.555 9.461
183 HG22 THR 34 HG22 THR 34 -1.369 5.279 9.642
184 HG23 THR 34 HG23 THR 34 -2.369 4.297 8.572
185 H LYS 35 HN LYS 35 -3.925 0.678 8.904
186 HA LYS 35 HA LYS 35 -4.953 0.371 6.920
187 HB2 LYS 35 HB2 LYS 35 -6.997 2.135 8.264
188 HB3 LYS 35 HB1 LYS 35 -7.298 1.114 6.862
189 HG2 LYS 35 HG2 LYS 35 -6.834 -0.867 8.146
190 HG3 LYS 35 HG1 LYS 35 -6.374 0.109 9.543
191 HD2 LYS 35 HD2 LYS 35 -8.621 0.949 9.748
192 HD3 LYS 35 HD1 LYS 35 -9.094 0.119 8.265
193 HE2 LYS 35 HE2 LYS 35 -9.825 -1.090 10.274
194 HE3 LYS 35 HE1 LYS 35 -8.701 -2.031 9.299
195 HZ1 LYS 35 HZ1 LYS 35 -6.920 -1.342 10.838
196 HZ2 LYS 35 HZ2 LYS 35 -8.131 -2.256 11.592
197 HZ3 LYS 35 HZ3 LYS 35 -8.079 -0.569 11.811
198 H THR 36 HN THR 36 -3.195 1.692 5.987
199 HA THR 36 HA THR 36 -4.382 3.915 4.474
200 HB THR 36 HB THR 36 -2.084 4.990 4.462
201 HG1 THR 36 HG1 THR 36 -1.710 3.190 6.652
202 HG21 THR 36 HG21 THR 36 -3.926 5.920 5.756
203 HG22 THR 36 HG22 THR 36 -2.404 6.094 6.630
204 HG23 THR 36 HG23 THR 36 -3.552 4.837 7.095
205 H THR 37 HN THR 37 -3.554 4.169 2.332
206 HA THR 37 HA THR 37 -1.867 1.979 1.376
207 HB THR 37 HB THR 37 -4.187 1.243 1.036
208 HG1 THR 37 HG1 THR 37 -2.513 0.764 -0.543
209 HG21 THR 37 HG21 THR 37 -5.272 3.430 0.859
210 HG22 THR 37 HG22 THR 37 -5.651 2.423 -0.537
211 HG23 THR 37 HG23 THR 37 -4.460 3.716 -0.682
212 H THR 38 HN THR 38 -0.767 2.395 -0.557
213 HA THR 38 HA THR 38 -1.039 4.986 -1.820
214 HB THR 38 HB THR 38 0.481 5.533 -0.003
215 HG1 THR 38 HG1 THR 38 2.445 5.455 -1.880
216 HG21 THR 38 HG21 THR 38 2.196 3.282 -1.046
217 HG22 THR 38 HG22 THR 38 1.336 3.319 0.494
218 HG23 THR 38 HG23 THR 38 2.669 4.437 0.201
219 H TRP 39 HN TRP 39 -0.177 5.030 -3.911
220 HA TRP 39 HA TRP 39 0.358 2.392 -5.007
221 HB2 TRP 39 HB2 TRP 39 -0.084 5.070 -6.339
222 HB3 TRP 39 HB1 TRP 39 0.268 3.583 -7.217
223 HD1 TRP 39 HD1 TRP 39 -2.498 5.298 -5.219
224 HE1 TRP 39 HE1 TRP 39 -4.706 4.035 -5.616
225 HE3 TRP 39 HE3 TRP 39 -0.676 1.274 -7.855
226 HZ2 TRP 39 HZ2 TRP 39 -5.569 1.660 -6.861
227 HZ3 TRP 39 HZ3 TRP 39 -2.283 -0.435 -8.593
228 HH2 TRP 39 HH2 TRP 39 -4.670 -0.250 -8.112
229 H GLU 40 HN GLU 40 1.939 5.493 -4.565
230 HA GLU 40 HA GLU 40 4.433 4.529 -5.671
231 HB2 GLU 40 HB2 GLU 40 3.762 7.040 -4.115
232 HB3 GLU 40 HB1 GLU 40 5.343 6.686 -4.789
233 HG2 GLU 40 HG2 GLU 40 2.797 7.072 -6.342
234 HG3 GLU 40 HG1 GLU 40 4.125 8.223 -6.204
235 H ASP 41 HN ASP 41 6.045 3.584 -4.536
236 HA ASP 41 HA ASP 41 5.545 2.282 -2.147
237 HB2 ASP 41 HB2 ASP 41 7.366 1.743 -3.791
238 HB3 ASP 41 HB1 ASP 41 8.281 3.099 -3.142
239 HA PRO 42 HA PRO 42 5.578 5.605 0.782
240 HB2 PRO 42 HB2 PRO 42 5.892 3.982 3.000
241 HB3 PRO 42 HB1 PRO 42 4.355 4.390 2.233
242 HG2 PRO 42 HG2 PRO 42 6.037 1.949 1.932
243 HG3 PRO 42 HG1 PRO 42 4.274 2.102 2.000
244 HD2 PRO 42 HD2 PRO 42 5.558 1.699 -0.315
245 HD3 PRO 42 HD1 PRO 42 4.114 2.730 -0.221
246 H ARG 43 HN ARG 43 8.241 3.487 0.223
247 HA ARG 43 HA ARG 43 10.010 4.455 2.182
248 HB2 ARG 43 HB2 ARG 43 10.543 3.440 -0.608
249 HB3 ARG 43 HB1 ARG 43 11.824 3.877 0.512
250 HG2 ARG 43 HG2 ARG 43 10.808 2.190 2.112
251 HG3 ARG 43 HG1 ARG 43 9.825 1.646 0.752
252 HD2 ARG 43 HD2 ARG 43 11.756 1.027 -0.498
253 HD3 ARG 43 HD1 ARG 43 12.831 1.815 0.659
254 HE ARG 43 HE ARG 43 11.179 -0.354 1.667
255 HH11 ARG 43 HH11 ARG 43 14.316 0.687 0.502
256 HH12 ARG 43 HH12 ARG 43 15.169 -0.637 1.253
257 HH21 ARG 43 HH21 ARG 43 12.297 -2.092 2.648
258 HH22 ARG 43 HH22 ARG 43 14.023 -2.199 2.474
259 H LEU 44 HN LEU 44 8.901 5.858 -0.840
260 HA LEU 44 HA LEU 44 10.864 7.967 -0.734
261 HB2 LEU 44 HB2 LEU 44 9.594 8.962 -2.623
262 HB3 LEU 44 HB1 LEU 44 10.163 7.333 -2.916
263 HG LEU 44 HG LEU 44 7.763 6.618 -2.228
264 HD11 LEU 44 HD11 LEU 44 6.036 8.252 -2.742
265 HD12 LEU 44 HD12 LEU 44 7.269 9.490 -2.987
266 HD13 LEU 44 HD13 LEU 44 7.030 8.787 -1.389
267 HD21 LEU 44 HD21 LEU 44 8.698 6.371 -4.461
268 HD22 LEU 44 HD22 LEU 44 8.292 8.048 -4.825
269 HD23 LEU 44 HD23 LEU 44 7.009 6.874 -4.533
270 H LYS 45 HN LYS 45 7.916 7.369 0.799
271 HA LYS 45 HA LYS 45 7.938 9.799 2.230
272 HB2 LYS 45 HB2 LYS 45 7.099 10.773 0.158
273 HB3 LYS 45 HB1 LYS 45 5.820 9.571 0.084
274 HG2 LYS 45 HG2 LYS 45 4.997 10.496 2.294
275 HG3 LYS 45 HG1 LYS 45 6.121 11.833 2.038
276 HD2 LYS 45 HD2 LYS 45 3.870 12.402 1.267
277 HD3 LYS 45 HD1 LYS 45 5.016 12.364 -0.076
278 HE2 LYS 45 HE2 LYS 45 4.261 10.078 -0.615
279 HE3 LYS 45 HE1 LYS 45 3.070 10.185 0.680
280 HZ1 LYS 45 HZ1 LYS 45 3.187 12.015 -1.654
281 HZ2 LYS 45 HZ2 LYS 45 1.981 11.970 -0.463
282 HZ3 LYS 45 HZ3 LYS 45 2.161 10.673 -1.539
283 H ILE 46 HN ILE 46 7.378 8.955 4.123
284 HA ILE 46 HA ILE 46 4.832 7.529 4.268
285 HB ILE 46 HB ILE 46 6.389 5.744 4.407
286 HG12 ILE 46 HG12 ILE 46 6.086 4.911 6.731
287 HG13 ILE 46 HG11 ILE 46 5.518 6.509 7.201
288 HG21 ILE 46 HG21 ILE 46 8.265 5.667 5.972
289 HG22 ILE 46 HG22 ILE 46 7.907 7.320 6.472
290 HG23 ILE 46 HG23 ILE 46 8.419 6.990 4.817
291 HD11 ILE 46 HD11 ILE 46 3.668 4.981 6.832
292 HD12 ILE 46 HD12 ILE 46 4.217 4.701 5.178
293 HD13 ILE 46 HD13 ILE 46 3.646 6.299 5.660
294 H THR 112 H THR 112 -12.799 4.082 -7.144
295 HA THR 112 HA THR 112 -11.727 5.909 -9.208
296 HB THR 112 HB THR 112 -12.652 7.086 -7.213
297 HG1 THR 112 HG1 THR 112 -11.090 8.428 -7.624
298 HG21 THR 112 HG21 THR 112 -11.494 6.871 -5.058
299 HG22 THR 112 HG22 THR 112 -10.533 5.545 -5.712
300 HG23 THR 112 HG23 THR 112 -12.276 5.361 -5.526
301 H ALA 113 HN ALA 113 -9.299 6.308 -8.396
302 HA ALA 113 HA ALA 113 -8.018 3.803 -8.866
303 HB1 ALA 113 HB1 ALA 113 -6.745 6.452 -8.198
304 HB2 ALA 113 HB2 ALA 113 -7.175 5.903 -9.818
305 HB3 ALA 113 HB3 ALA 113 -5.943 5.044 -8.893
306 HA PRO 114 HA PRO 114 -6.273 4.277 -4.378
307 HB2 PRO 114 HB2 PRO 114 -8.081 6.193 -3.066
308 HB3 PRO 114 HB1 PRO 114 -6.316 6.130 -3.054
309 HG2 PRO 114 HG2 PRO 114 -7.648 8.039 -4.389
310 HG3 PRO 114 HG1 PRO 114 -6.128 7.359 -5.000
311 HD2 PRO 114 HD2 PRO 114 -8.944 6.746 -5.824
312 HD3 PRO 114 HD1 PRO 114 -7.502 6.980 -6.835
313 HA PRO 115 HA PRO 115 -9.724 1.581 -3.328
314 HB2 PRO 115 HB2 PRO 115 -8.252 -0.322 -2.129
315 HB3 PRO 115 HB1 PRO 115 -8.274 -0.135 -3.886
316 HG2 PRO 115 HG2 PRO 115 -6.223 0.768 -1.908
317 HG3 PRO 115 HG1 PRO 115 -5.993 0.038 -3.507
318 HD2 PRO 115 HD2 PRO 115 -5.814 2.729 -2.998
319 HD3 PRO 115 HD1 PRO 115 -6.220 2.039 -4.582
320 H GLU 116 HN GLU 116 -10.956 1.377 -1.520
321 HA GLU 116 HA GLU 116 -10.285 2.835 0.844
322 HB2 GLU 116 HB2 GLU 116 -12.382 0.736 0.985
323 HB3 GLU 116 HB1 GLU 116 -12.413 2.385 1.578
324 HG2 GLU 116 HG2 GLU 116 -13.991 2.408 -0.102
325 HG3 GLU 116 HG1 GLU 116 -12.558 3.047 -0.907
326 H TYR 117 HN TYR 117 -9.424 2.102 2.736
327 HA TYR 117 HA TYR 117 -8.335 -0.611 2.602
328 HB2 TYR 117 HB2 TYR 117 -6.832 1.450 2.935
329 HB3 TYR 117 HB1 TYR 117 -7.474 1.493 4.576
330 HD1 TYR 117 HD1 TYR 117 -7.562 -1.194 5.487
331 HD2 TYR 117 HD2 TYR 117 -4.692 0.602 2.922
332 HE1 TYR 117 HE1 TYR 117 -5.931 -2.903 6.140
333 HE2 TYR 117 HE2 TYR 117 -3.053 -1.106 3.570
334 HH TYR 117 HH TYR 117 -3.845 -3.948 4.974
335 H MET 118 HN MET 118 -9.250 -2.128 3.739
336 HA MET 118 HA MET 118 -9.456 -1.888 6.545
337 HB2 MET 118 HB2 MET 118 -11.588 -0.846 6.200
338 HB3 MET 118 HB1 MET 118 -12.043 -2.009 4.966
339 HG2 MET 118 HG2 MET 118 -13.249 -2.408 7.032
340 HG3 MET 118 HG1 MET 118 -12.185 -3.760 6.647
341 HE1 MET 118 HE1 MET 118 -12.376 -4.726 9.091
342 HE2 MET 118 HE2 MET 118 -13.502 -3.424 9.472
343 HE3 MET 118 HE3 MET 118 -12.143 -3.756 10.546
344 H GLU 119 HN GLU 119 -8.206 -3.678 6.651
345 HA GLU 119 HA GLU 119 -9.349 -6.184 5.612
346 HB2 GLU 119 HB2 GLU 119 -6.483 -5.536 6.348
347 HB3 GLU 119 HB1 GLU 119 -7.055 -7.120 5.847
348 HG2 GLU 119 HG2 GLU 119 -7.645 -6.247 3.664
349 HG3 GLU 119 HG1 GLU 119 -7.155 -4.627 4.159
350 H ALA 120 HN ALA 120 -7.391 -4.922 8.277
351 HA ALA 120 HA ALA 120 -9.195 -6.052 10.228
352 HB1 ALA 120 HB1 ALA 120 -7.456 -7.269 11.438
353 HB2 ALA 120 HB2 ALA 120 -6.287 -6.872 10.179
354 HB3 ALA 120 HB3 ALA 120 -7.656 -7.922 9.810
Start of MODEL 11
1 H PHE 12 H PHE 12 9.409 -6.595 -0.532
2 HA PHE 12 HA PHE 12 11.081 -6.341 1.143
3 HB2 PHE 12 HB2 PHE 12 13.052 -6.639 -0.282
4 HB3 PHE 12 HB1 PHE 12 12.720 -5.105 -1.080
5 HD1 PHE 12 HD2 PHE 12 13.512 -6.583 2.238
6 HD2 PHE 12 HD1 PHE 12 13.616 -3.127 -0.246
7 HE1 PHE 12 HE2 PHE 12 14.859 -5.409 3.929
8 HE2 PHE 12 HE1 PHE 12 14.963 -1.951 1.443
9 HZ PHE 12 HZ PHE 12 15.585 -3.090 3.533
10 H LEU 13 HN LEU 13 9.734 -5.053 2.159
11 HA LEU 13 HA LEU 13 10.139 -2.243 1.976
12 HB2 LEU 13 HB2 LEU 13 7.544 -1.867 1.868
13 HB3 LEU 13 HB1 LEU 13 8.485 -2.000 0.388
14 HG LEU 13 HG LEU 13 7.790 -4.466 0.363
15 HD11 LEU 13 HD11 LEU 13 5.708 -4.987 1.531
16 HD12 LEU 13 HD12 LEU 13 5.768 -3.420 2.337
17 HD13 LEU 13 HD13 LEU 13 7.013 -4.626 2.664
18 HD21 LEU 13 HD21 LEU 13 5.669 -3.924 -0.707
19 HD22 LEU 13 HD22 LEU 13 6.918 -2.762 -1.153
20 HD23 LEU 13 HD23 LEU 13 5.692 -2.326 0.038
21 HA PRO 14 HA PRO 14 8.888 -2.092 6.305
22 HB2 PRO 14 HB2 PRO 14 6.287 -0.969 5.336
23 HB3 PRO 14 HB1 PRO 14 7.247 -0.476 6.735
24 HG2 PRO 14 HG2 PRO 14 7.361 0.942 4.516
25 HG3 PRO 14 HG1 PRO 14 8.860 0.571 5.396
26 HD2 PRO 14 HD2 PRO 14 7.809 -0.588 2.859
27 HD3 PRO 14 HD1 PRO 14 9.486 -0.325 3.370
28 H LYS 15 HN LYS 15 8.236 -3.819 7.441
29 HA LYS 15 HA LYS 15 6.761 -5.886 6.163
30 HB2 LYS 15 HB2 LYS 15 7.622 -5.650 9.050
31 HB3 LYS 15 HB1 LYS 15 7.070 -7.122 8.261
32 HG2 LYS 15 HG2 LYS 15 8.983 -7.010 6.730
33 HG3 LYS 15 HG1 LYS 15 9.540 -5.552 7.551
34 HD2 LYS 15 HD2 LYS 15 9.716 -6.847 9.648
35 HD3 LYS 15 HD1 LYS 15 9.253 -8.299 8.760
36 HE2 LYS 15 HE2 LYS 15 11.697 -6.602 8.253
37 HE3 LYS 15 HE1 LYS 15 11.675 -8.177 9.041
38 HZ1 LYS 15 HZ1 LYS 15 10.809 -9.125 6.958
39 HZ2 LYS 15 HZ2 LYS 15 12.339 -8.429 6.766
40 HZ3 LYS 15 HZ3 LYS 15 10.963 -7.607 6.212
41 H GLY 16 HN GLY 16 5.674 -3.143 7.665
42 HA2 GLY 16 HA2 GLY 16 3.218 -4.332 8.701
43 HA3 GLY 16 HA1 GLY 16 3.672 -2.637 8.789
44 H TRP 17 HN TRP 17 4.394 -3.006 5.783
45 HA TRP 17 HA TRP 17 1.688 -2.390 4.823
46 HB2 TRP 17 HB2 TRP 17 4.422 -1.758 3.708
47 HB3 TRP 17 HB1 TRP 17 2.952 -1.507 2.789
48 HD1 TRP 17 HD1 TRP 17 4.666 -0.277 5.995
49 HE1 TRP 17 HE1 TRP 17 3.952 2.146 6.440
50 HE3 TRP 17 HE3 TRP 17 1.104 0.254 2.297
51 HZ2 TRP 17 HZ2 TRP 17 2.172 4.038 5.372
52 HZ3 TRP 17 HZ3 TRP 17 0.005 2.407 2.083
53 HH2 TRP 17 HH2 TRP 17 0.496 4.262 3.595
54 H GLU 18 HN GLU 18 0.701 -3.623 3.361
55 HA GLU 18 HA GLU 18 2.106 -5.988 2.331
56 HB2 GLU 18 HB2 GLU 18 -0.738 -5.306 2.900
57 HB3 GLU 18 HB1 GLU 18 -0.421 -6.426 1.586
58 HG2 GLU 18 HG2 GLU 18 0.678 -6.817 4.350
59 HG3 GLU 18 HG1 GLU 18 -0.893 -7.442 3.843
60 H VAL 19 HN VAL 19 2.652 -6.107 0.210
61 HA VAL 19 HA VAL 19 1.703 -3.993 -1.546
62 HB VAL 19 HB VAL 19 4.087 -4.491 -1.633
63 HG11 VAL 19 HG11 VAL 19 4.963 -6.571 -2.530
64 HG12 VAL 19 HG12 VAL 19 3.329 -7.225 -2.643
65 HG13 VAL 19 HG13 VAL 19 4.030 -6.865 -1.063
66 HG21 VAL 19 HG21 VAL 19 2.653 -5.266 -4.167
67 HG22 VAL 19 HG22 VAL 19 4.332 -4.735 -4.057
68 HG23 VAL 19 HG23 VAL 19 3.028 -3.627 -3.631
69 H ARG 20 HN ARG 20 -0.347 -4.375 -2.090
70 HA ARG 20 HA ARG 20 -1.104 -7.076 -2.957
71 HB2 ARG 20 HB2 ARG 20 -2.439 -5.786 -1.205
72 HB3 ARG 20 HB1 ARG 20 -2.945 -4.727 -2.517
73 HG2 ARG 20 HG2 ARG 20 -4.673 -6.288 -2.266
74 HG3 ARG 20 HG1 ARG 20 -3.774 -6.815 -3.690
75 HD2 ARG 20 HD2 ARG 20 -4.190 -8.762 -2.411
76 HD3 ARG 20 HD1 ARG 20 -2.491 -8.357 -2.164
77 HE ARG 20 HE ARG 20 -4.621 -7.714 -0.221
78 HH11 ARG 20 HH11 ARG 20 -1.360 -8.769 -0.960
79 HH12 ARG 20 HH12 ARG 20 -0.912 -8.974 0.712
80 HH21 ARG 20 HH21 ARG 20 -4.060 -8.014 1.951
81 HH22 ARG 20 HH22 ARG 20 -2.465 -8.575 2.360
82 H HIS 21 HN HIS 21 -1.457 -7.508 -5.062
83 HA HIS 21 HA HIS 21 -0.921 -5.322 -6.912
84 HB2 HIS 21 HB2 HIS 21 0.114 -7.741 -6.922
85 HB3 HIS 21 HB1 HIS 21 -1.356 -8.146 -7.801
86 HD1 HIS 21 HD1 HIS 21 -1.521 -7.397 -10.239
87 HD2 HIS 21 HD2 HIS 21 1.865 -5.979 -8.269
88 HE1 HIS 21 HE1 HIS 21 -0.094 -6.311 -12.015
89 HE2 HIS 21 HE2 HIS 21 1.881 -5.358 -10.786
90 H ALA 22 HN ALA 22 -2.563 -4.185 -7.619
91 HA ALA 22 HA ALA 22 -5.249 -5.295 -7.649
92 HB1 ALA 22 HB1 ALA 22 -5.976 -3.007 -7.989
93 HB2 ALA 22 HB2 ALA 22 -4.310 -2.491 -8.247
94 HB3 ALA 22 HB3 ALA 22 -4.815 -3.076 -6.664
95 HA PRO 23 HA PRO 23 -5.631 -5.889 -12.026
96 HB2 PRO 23 HB2 PRO 23 -8.211 -4.470 -12.007
97 HB3 PRO 23 HB1 PRO 23 -7.863 -6.161 -12.374
98 HG2 PRO 23 HG2 PRO 23 -9.109 -5.448 -10.112
99 HG3 PRO 23 HG1 PRO 23 -7.962 -6.802 -10.158
100 HD2 PRO 23 HD2 PRO 23 -7.549 -4.000 -9.181
101 HD3 PRO 23 HD1 PRO 23 -7.012 -5.533 -8.462
102 H ASN 24 HN ASN 24 -4.933 -2.986 -10.828
103 HA ASN 24 HA ASN 24 -5.472 -1.341 -13.147
104 HB2 ASN 24 HB2 ASN 24 -5.373 -0.505 -10.725
105 HB3 ASN 24 HB1 ASN 24 -3.623 -0.620 -10.902
106 HD21 ASN 24 HD21 ASN 24 -3.176 1.529 -10.831
107 HD22 ASN 24 HD22 ASN 24 -3.679 2.660 -12.036
108 H GLY 25 HN GLY 25 -3.479 -3.814 -12.742
109 HA2 GLY 25 HA2 GLY 25 -1.364 -4.408 -13.442
110 HA3 GLY 25 HA1 GLY 25 -1.390 -2.976 -14.471
111 H ARG 26 HN ARG 26 -2.036 -2.703 -11.143
112 HA ARG 26 HA ARG 26 0.573 -1.551 -10.561
113 HB2 ARG 26 HB2 ARG 26 -0.824 0.258 -11.501
114 HB3 ARG 26 HB1 ARG 26 -2.062 -0.057 -10.303
115 HG2 ARG 26 HG2 ARG 26 -0.678 0.764 -8.562
116 HG3 ARG 26 HG1 ARG 26 0.768 0.692 -9.569
117 HD2 ARG 26 HD2 ARG 26 0.222 2.972 -9.481
118 HD3 ARG 26 HD1 ARG 26 -0.377 2.424 -11.042
119 HE ARG 26 HE ARG 26 -2.463 2.214 -9.214
120 HH11 ARG 26 HH11 ARG 26 -0.497 4.739 -10.625
121 HH12 ARG 26 HH12 ARG 26 -1.763 5.932 -10.574
122 HH21 ARG 26 HH21 ARG 26 -4.136 3.787 -9.133
123 HH22 ARG 26 HH22 ARG 26 -3.827 5.396 -9.710
124 HA PRO 27 HA PRO 27 -0.761 -3.422 -6.701
125 HB2 PRO 27 HB2 PRO 27 1.708 -3.254 -5.497
126 HB3 PRO 27 HB1 PRO 27 1.205 -4.560 -6.562
127 HG2 PRO 27 HG2 PRO 27 3.167 -2.487 -7.031
128 HG3 PRO 27 HG1 PRO 27 2.803 -3.909 -8.017
129 HD2 PRO 27 HD2 PRO 27 2.009 -1.145 -8.429
130 HD3 PRO 27 HD1 PRO 27 1.851 -2.536 -9.523
131 H PHE 28 HN PHE 28 -1.721 -2.426 -5.032
132 HA PHE 28 HA PHE 28 -0.778 0.227 -4.305
133 HB2 PHE 28 HB2 PHE 28 -2.869 0.389 -2.947
134 HB3 PHE 28 HB1 PHE 28 -3.134 0.189 -4.667
135 HD1 PHE 28 HD1 PHE 28 -2.973 -1.822 -1.524
136 HD2 PHE 28 HD2 PHE 28 -4.725 -1.326 -5.368
137 HE1 PHE 28 HE1 PHE 28 -4.557 -3.632 -1.032
138 HE2 PHE 28 HE2 PHE 28 -6.305 -3.147 -4.885
139 HZ PHE 28 HZ PHE 28 -6.225 -4.300 -2.714
140 H PHE 29 HN PHE 29 0.065 0.730 -2.401
141 HA PHE 29 HA PHE 29 1.078 -1.450 -0.752
142 HB2 PHE 29 HB2 PHE 29 1.612 1.531 -0.641
143 HB3 PHE 29 HB1 PHE 29 2.544 0.276 0.171
144 HD1 PHE 29 HD1 PHE 29 3.902 -1.303 -1.189
145 HD2 PHE 29 HD2 PHE 29 1.938 2.066 -2.913
146 HE1 PHE 29 HE1 PHE 29 5.287 -1.541 -3.209
147 HE2 PHE 29 HE2 PHE 29 3.333 1.833 -4.937
148 HZ PHE 29 HZ PHE 29 4.998 0.021 -5.087
149 H ILE 30 HN ILE 30 0.315 -1.855 1.314
150 HA ILE 30 HA ILE 30 -1.568 0.122 2.298
151 HB ILE 30 HB ILE 30 -3.129 -1.739 2.984
152 HG12 ILE 30 HG12 ILE 30 -1.399 -3.319 1.070
153 HG13 ILE 30 HG11 ILE 30 -1.548 -3.596 2.801
154 HG21 ILE 30 HG21 ILE 30 -3.649 -0.311 1.110
155 HG22 ILE 30 HG22 ILE 30 -4.126 -1.971 0.755
156 HG23 ILE 30 HG23 ILE 30 -2.657 -1.304 0.042
157 HD11 ILE 30 HD11 ILE 30 -3.834 -4.283 2.543
158 HD12 ILE 30 HD12 ILE 30 -2.824 -5.193 1.418
159 HD13 ILE 30 HD13 ILE 30 -3.809 -3.852 0.832
160 H ASP 31 HN ASP 31 -1.482 0.666 4.271
161 HA ASP 31 HA ASP 31 0.104 -0.874 6.178
162 HB2 ASP 31 HB2 ASP 31 0.621 1.468 6.137
163 HB3 ASP 31 HB1 ASP 31 -1.082 1.907 6.252
164 H HIS 32 HN HIS 32 -0.754 -1.927 7.886
165 HA HIS 32 HA HIS 32 -3.657 -2.246 7.874
166 HB2 HIS 32 HB2 HIS 32 -1.470 -3.821 9.249
167 HB3 HIS 32 HB1 HIS 32 -3.187 -4.180 9.398
168 HD1 HIS 32 HD1 HIS 32 -4.114 -5.764 7.733
169 HD2 HIS 32 HD2 HIS 32 -0.543 -4.036 6.458
170 HE1 HIS 32 HE1 HIS 32 -3.606 -6.798 5.488
171 HE2 HIS 32 HE2 HIS 32 -1.337 -5.905 4.865
172 H ASN 33 HN ASN 33 -1.448 -0.375 9.511
173 HA ASN 33 HA ASN 33 -2.512 -0.748 12.172
174 HB2 ASN 33 HB2 ASN 33 -0.547 1.327 11.177
175 HB3 ASN 33 HB1 ASN 33 -0.898 0.950 12.859
176 HD21 ASN 33 HD21 ASN 33 0.849 0.076 10.030
177 HD22 ASN 33 HD22 ASN 33 1.743 -1.234 10.738
178 H THR 34 HN THR 34 -2.503 1.802 9.709
179 HA THR 34 HA THR 34 -4.514 3.238 11.323
180 HB THR 34 HB THR 34 -2.338 4.399 11.100
181 HG1 THR 34 HG1 THR 34 -4.437 5.699 9.677
182 HG21 THR 34 HG21 THR 34 -3.009 4.505 8.160
183 HG22 THR 34 HG22 THR 34 -1.693 3.582 8.887
184 HG23 THR 34 HG23 THR 34 -1.672 5.345 8.945
185 H LYS 35 HN LYS 35 -4.586 1.208 8.880
186 HA LYS 35 HA LYS 35 -5.757 0.879 6.986
187 HB2 LYS 35 HB2 LYS 35 -7.544 2.579 8.658
188 HB3 LYS 35 HB1 LYS 35 -8.017 2.274 6.993
189 HG2 LYS 35 HG2 LYS 35 -9.019 0.689 8.592
190 HG3 LYS 35 HG1 LYS 35 -8.020 -0.102 7.371
191 HD2 LYS 35 HD2 LYS 35 -6.143 0.008 9.112
192 HD3 LYS 35 HD1 LYS 35 -7.418 0.374 10.276
193 HE2 LYS 35 HE2 LYS 35 -8.560 -1.711 9.657
194 HE3 LYS 35 HE1 LYS 35 -7.259 -2.082 8.518
195 HZ1 LYS 35 HZ1 LYS 35 -7.151 -2.008 11.480
196 HZ2 LYS 35 HZ2 LYS 35 -5.743 -1.900 10.545
197 HZ3 LYS 35 HZ3 LYS 35 -6.725 -3.275 10.435
198 H THR 36 HN THR 36 -4.161 1.776 5.618
199 HA THR 36 HA THR 36 -5.155 4.116 4.180
200 HB THR 36 HB THR 36 -2.302 3.933 5.176
201 HG1 THR 36 HG1 THR 36 -4.507 4.933 6.304
202 HG21 THR 36 HG21 THR 36 -2.437 4.928 2.938
203 HG22 THR 36 HG22 THR 36 -2.018 6.144 4.145
204 HG23 THR 36 HG23 THR 36 -3.661 6.060 3.511
205 H THR 37 HN THR 37 -5.014 3.899 2.056
206 HA THR 37 HA THR 37 -3.246 1.810 0.945
207 HB THR 37 HB THR 37 -5.745 2.935 -0.340
208 HG1 THR 37 HG1 THR 37 -6.888 1.442 0.673
209 HG21 THR 37 HG21 THR 37 -5.583 0.932 -1.753
210 HG22 THR 37 HG22 THR 37 -4.097 0.472 -0.922
211 HG23 THR 37 HG23 THR 37 -4.146 1.945 -1.890
212 H THR 38 HN THR 38 -1.688 2.492 -0.473
213 HA THR 38 HA THR 38 -2.061 5.065 -1.805
214 HB THR 38 HB THR 38 -0.815 5.530 0.288
215 HG1 THR 38 HG1 THR 38 -0.198 7.029 -1.079
216 HG21 THR 38 HG21 THR 38 1.512 4.783 0.479
217 HG22 THR 38 HG22 THR 38 1.314 3.792 -0.967
218 HG23 THR 38 HG23 THR 38 0.399 3.415 0.494
219 H TRP 39 HN TRP 39 -0.851 5.371 -3.692
220 HA TRP 39 HA TRP 39 0.344 2.893 -4.758
221 HB2 TRP 39 HB2 TRP 39 -0.791 5.161 -6.401
222 HB3 TRP 39 HB1 TRP 39 -0.346 3.553 -6.954
223 HD1 TRP 39 HD1 TRP 39 -3.039 5.292 -4.804
224 HE1 TRP 39 HE1 TRP 39 -5.191 3.909 -4.956
225 HE3 TRP 39 HE3 TRP 39 -1.286 1.318 -7.519
226 HZ2 TRP 39 HZ2 TRP 39 -6.052 1.464 -6.071
227 HZ3 TRP 39 HZ3 TRP 39 -2.835 -0.480 -8.101
228 HH2 TRP 39 HH2 TRP 39 -5.175 -0.419 -7.387
229 H GLU 40 HN GLU 40 1.097 5.880 -3.578
230 HA GLU 40 HA GLU 40 2.965 6.718 -5.617
231 HB2 GLU 40 HB2 GLU 40 3.416 8.615 -4.126
232 HB3 GLU 40 HB1 GLU 40 1.692 8.399 -4.396
233 HG2 GLU 40 HG2 GLU 40 1.596 7.180 -2.214
234 HG3 GLU 40 HG1 GLU 40 3.268 7.669 -1.944
235 H ASP 41 HN ASP 41 3.066 4.519 -3.147
236 HA ASP 41 HA ASP 41 4.702 3.290 -2.165
237 HB2 ASP 41 HB2 ASP 41 5.707 3.267 -4.446
238 HB3 ASP 41 HB1 ASP 41 6.605 4.723 -4.036
239 HA PRO 42 HA PRO 42 5.640 6.547 0.808
240 HB2 PRO 42 HB2 PRO 42 5.828 4.938 2.972
241 HB3 PRO 42 HB1 PRO 42 4.276 5.445 2.287
242 HG2 PRO 42 HG2 PRO 42 5.778 2.884 1.875
243 HG3 PRO 42 HG1 PRO 42 4.064 3.137 2.212
244 HD2 PRO 42 HD2 PRO 42 4.948 2.655 -0.275
245 HD3 PRO 42 HD1 PRO 42 3.576 3.738 0.034
246 H ARG 43 HN ARG 43 7.556 3.883 -0.200
247 HA ARG 43 HA ARG 43 9.777 4.479 1.536
248 HB2 ARG 43 HB2 ARG 43 9.508 2.703 -0.888
249 HB3 ARG 43 HB1 ARG 43 11.029 2.927 -0.035
250 HG2 ARG 43 HG2 ARG 43 8.492 1.835 1.164
251 HG3 ARG 43 HG1 ARG 43 9.889 0.881 0.661
252 HD2 ARG 43 HD2 ARG 43 9.845 2.999 2.807
253 HD3 ARG 43 HD1 ARG 43 9.918 1.256 3.066
254 HE ARG 43 HE ARG 43 12.075 1.823 1.483
255 HH11 ARG 43 HH11 ARG 43 10.936 2.873 4.615
256 HH12 ARG 43 HH12 ARG 43 12.519 3.232 5.230
257 HH21 ARG 43 HH21 ARG 43 14.175 2.282 2.280
258 HH22 ARG 43 HH22 ARG 43 14.370 2.865 3.904
259 H LEU 44 HN LEU 44 8.454 5.713 -1.313
260 HA LEU 44 HA LEU 44 10.812 7.102 -2.184
261 HB2 LEU 44 HB2 LEU 44 7.989 6.958 -2.982
262 HB3 LEU 44 HB1 LEU 44 8.700 8.548 -3.171
263 HG LEU 44 HG LEU 44 8.840 7.307 -5.247
264 HD11 LEU 44 HD11 LEU 44 10.621 8.876 -4.745
265 HD12 LEU 44 HD12 LEU 44 11.243 7.498 -5.653
266 HD13 LEU 44 HD13 LEU 44 11.524 7.609 -3.915
267 HD21 LEU 44 HD21 LEU 44 10.439 5.285 -3.684
268 HD22 LEU 44 HD22 LEU 44 10.204 5.286 -5.431
269 HD23 LEU 44 HD23 LEU 44 8.827 5.044 -4.358
270 H LYS 45 HN LYS 45 8.621 7.458 0.400
271 HA LYS 45 HA LYS 45 8.935 10.352 0.473
272 HB2 LYS 45 HB2 LYS 45 7.175 8.409 1.842
273 HB3 LYS 45 HB1 LYS 45 7.582 9.873 2.733
274 HG2 LYS 45 HG2 LYS 45 5.511 10.166 1.507
275 HG3 LYS 45 HG1 LYS 45 6.762 11.236 0.876
276 HD2 LYS 45 HD2 LYS 45 7.154 9.195 -0.773
277 HD3 LYS 45 HD1 LYS 45 5.465 8.870 -0.378
278 HE2 LYS 45 HE2 LYS 45 6.608 11.406 -1.546
279 HE3 LYS 45 HE1 LYS 45 5.575 10.237 -2.364
280 HZ1 LYS 45 HZ1 LYS 45 3.794 10.788 -0.820
281 HZ2 LYS 45 HZ2 LYS 45 4.314 12.164 -1.659
282 HZ3 LYS 45 HZ3 LYS 45 4.789 11.930 -0.050
283 H ILE 46 HN ILE 46 10.661 7.717 1.623
284 HA ILE 46 HA ILE 46 12.281 9.598 3.153
285 HB ILE 46 HB ILE 46 12.909 7.687 4.740
286 HG12 ILE 46 HG12 ILE 46 11.445 6.030 3.340
287 HG13 ILE 46 HG11 ILE 46 11.500 5.879 5.090
288 HG21 ILE 46 HG21 ILE 46 11.139 8.296 6.315
289 HG22 ILE 46 HG22 ILE 46 10.227 9.027 4.994
290 HG23 ILE 46 HG23 ILE 46 11.790 9.697 5.464
291 HD11 ILE 46 HD11 ILE 46 9.241 5.612 4.257
292 HD12 ILE 46 HD12 ILE 46 9.315 7.203 3.501
293 HD13 ILE 46 HD13 ILE 46 9.367 7.058 5.258
294 H THR 112 H THR 112 -8.413 3.298 -12.182
295 HA THR 112 HA THR 112 -9.276 1.903 -10.535
296 HB THR 112 HB THR 112 -6.452 0.937 -10.048
297 HG1 THR 112 HG1 THR 112 -8.399 -0.874 -10.847
298 HG21 THR 112 HG21 THR 112 -7.519 -0.687 -8.556
299 HG22 THR 112 HG22 THR 112 -9.090 0.050 -8.871
300 HG23 THR 112 HG23 THR 112 -7.838 0.966 -8.031
301 H ALA 113 HN ALA 113 -9.847 3.317 -9.072
302 HA ALA 113 HA ALA 113 -8.003 5.326 -8.088
303 HB1 ALA 113 HB1 ALA 113 -10.288 5.947 -8.700
304 HB2 ALA 113 HB2 ALA 113 -9.989 6.258 -6.990
305 HB3 ALA 113 HB3 ALA 113 -10.923 4.844 -7.477
306 HA PRO 114 HA PRO 114 -6.960 3.715 -4.059
307 HB2 PRO 114 HB2 PRO 114 -8.291 5.512 -2.365
308 HB3 PRO 114 HB1 PRO 114 -6.632 5.654 -2.949
309 HG2 PRO 114 HG2 PRO 114 -9.113 6.947 -3.960
310 HG3 PRO 114 HG1 PRO 114 -7.457 7.577 -3.906
311 HD2 PRO 114 HD2 PRO 114 -8.552 6.738 -6.201
312 HD3 PRO 114 HD1 PRO 114 -6.836 6.451 -5.841
313 HA PRO 115 HA PRO 115 -10.635 1.309 -3.186
314 HB2 PRO 115 HB2 PRO 115 -8.820 -0.539 -1.884
315 HB3 PRO 115 HB1 PRO 115 -9.701 -0.755 -3.393
316 HG2 PRO 115 HG2 PRO 115 -6.992 -0.511 -3.253
317 HG3 PRO 115 HG1 PRO 115 -7.950 -0.049 -4.670
318 HD2 PRO 115 HD2 PRO 115 -6.814 1.671 -2.503
319 HD3 PRO 115 HD1 PRO 115 -6.896 1.968 -4.253
320 H GLU 116 HN GLU 116 -11.901 1.380 -1.413
321 HA GLU 116 HA GLU 116 -11.145 2.701 0.942
322 HB2 GLU 116 HB2 GLU 116 -13.257 1.782 1.916
323 HB3 GLU 116 HB1 GLU 116 -13.479 2.591 0.373
324 HG2 GLU 116 HG2 GLU 116 -13.221 -0.392 0.609
325 HG3 GLU 116 HG1 GLU 116 -14.764 0.445 0.752
326 H TYR 117 HN TYR 117 -10.000 2.038 2.660
327 HA TYR 117 HA TYR 117 -8.838 -0.581 2.360
328 HB2 TYR 117 HB2 TYR 117 -7.395 1.391 2.744
329 HB3 TYR 117 HB1 TYR 117 -8.100 1.561 4.354
330 HD1 TYR 117 HD2 TYR 117 -7.632 -0.115 6.094
331 HD2 TYR 117 HD1 TYR 117 -5.835 -0.370 2.260
332 HE1 TYR 117 HE2 TYR 117 -6.023 -1.754 6.968
333 HE2 TYR 117 HE1 TYR 117 -4.237 -2.008 3.122
334 HH TYR 117 HH TYR 117 -3.245 -2.634 5.288
335 H MET 118 HN MET 118 -9.510 -2.293 3.373
336 HA MET 118 HA MET 118 -9.438 -2.268 6.219
337 HB2 MET 118 HB2 MET 118 -11.828 -1.698 5.860
338 HB3 MET 118 HB1 MET 118 -12.028 -3.153 4.894
339 HG2 MET 118 HG2 MET 118 -12.876 -3.474 7.141
340 HG3 MET 118 HG1 MET 118 -11.494 -4.525 6.834
341 HE1 MET 118 HE1 MET 118 -12.794 -1.302 8.646
342 HE2 MET 118 HE2 MET 118 -11.505 -0.656 7.630
343 HE3 MET 118 HE3 MET 118 -11.319 -0.676 9.384
344 H GLU 119 HN GLU 119 -7.891 -3.739 6.231
345 HA GLU 119 HA GLU 119 -8.274 -6.281 4.787
346 HB2 GLU 119 HB2 GLU 119 -6.699 -4.690 3.626
347 HB3 GLU 119 HB1 GLU 119 -5.677 -4.744 5.047
348 HG2 GLU 119 HG2 GLU 119 -4.713 -6.199 3.466
349 HG3 GLU 119 HG1 GLU 119 -5.453 -7.212 4.699
350 H ALA 120 HN ALA 120 -8.601 -5.297 7.605
351 HA ALA 120 HA ALA 120 -8.215 -5.922 9.739
352 HB1 ALA 120 HB1 ALA 120 -7.241 -8.091 10.236
353 HB2 ALA 120 HB2 ALA 120 -6.675 -8.240 8.572
354 HB3 ALA 120 HB3 ALA 120 -8.405 -8.226 8.917
Start of MODEL 12
1 H PHE 12 H PHE 12 10.748 -5.807 -2.425
2 HA PHE 12 HA PHE 12 11.060 -4.916 -0.162
3 HB2 PHE 12 HB2 PHE 12 12.751 -4.754 -2.022
4 HB3 PHE 12 HB1 PHE 12 12.145 -3.140 -2.361
5 HD1 PHE 12 HD1 PHE 12 13.467 -5.146 0.496
6 HD2 PHE 12 HD2 PHE 12 13.250 -1.359 -1.433
7 HE1 PHE 12 HE1 PHE 12 15.059 -4.226 2.129
8 HE2 PHE 12 HE2 PHE 12 14.842 -0.434 0.198
9 HZ PHE 12 HZ PHE 12 15.747 -1.866 1.981
10 H LEU 13 HN LEU 13 9.297 -4.058 0.929
11 HA LEU 13 HA LEU 13 8.876 -1.193 0.519
12 HB2 LEU 13 HB2 LEU 13 6.388 -1.580 1.011
13 HB3 LEU 13 HB1 LEU 13 6.980 -1.893 -0.604
14 HG LEU 13 HG LEU 13 5.278 -3.510 0.236
15 HD11 LEU 13 HD11 LEU 13 6.735 -4.124 -1.596
16 HD12 LEU 13 HD12 LEU 13 6.396 -5.518 -0.570
17 HD13 LEU 13 HD13 LEU 13 7.953 -4.699 -0.459
18 HD21 LEU 13 HD21 LEU 13 5.952 -5.236 1.812
19 HD22 LEU 13 HD22 LEU 13 5.969 -3.631 2.549
20 HD23 LEU 13 HD23 LEU 13 7.485 -4.400 2.073
21 HA PRO 14 HA PRO 14 9.052 -0.384 4.829
22 HB2 PRO 14 HB2 PRO 14 6.172 0.404 4.597
23 HB3 PRO 14 HB1 PRO 14 7.488 1.247 5.407
24 HG2 PRO 14 HG2 PRO 14 6.732 2.096 3.061
25 HG3 PRO 14 HG1 PRO 14 8.471 1.894 3.366
26 HD2 PRO 14 HD2 PRO 14 6.599 0.130 1.837
27 HD3 PRO 14 HD1 PRO 14 8.272 0.592 1.461
28 H LYS 15 HN LYS 15 8.890 -1.534 6.620
29 HA LYS 15 HA LYS 15 7.413 -3.896 6.887
30 HB2 LYS 15 HB2 LYS 15 9.419 -3.474 8.186
31 HB3 LYS 15 HB1 LYS 15 8.665 -2.093 8.967
32 HG2 LYS 15 HG2 LYS 15 7.010 -3.661 9.975
33 HG3 LYS 15 HG1 LYS 15 7.955 -4.996 9.311
34 HD2 LYS 15 HD2 LYS 15 8.998 -2.891 11.205
35 HD3 LYS 15 HD1 LYS 15 8.513 -4.524 11.666
36 HE2 LYS 15 HE2 LYS 15 10.266 -5.492 10.372
37 HE3 LYS 15 HE1 LYS 15 10.649 -3.941 9.626
38 HZ1 LYS 15 HZ1 LYS 15 10.882 -4.408 12.543
39 HZ2 LYS 15 HZ2 LYS 15 11.527 -3.126 11.633
40 HZ3 LYS 15 HZ3 LYS 15 12.162 -4.692 11.464
41 H GLY 16 HN GLY 16 5.277 -4.102 7.098
42 HA2 GLY 16 HA2 GLY 16 3.362 -3.667 8.604
43 HA3 GLY 16 HA1 GLY 16 3.803 -1.966 8.514
44 H TRP 17 HN TRP 17 4.505 -2.492 5.613
45 HA TRP 17 HA TRP 17 1.785 -2.191 4.571
46 HB2 TRP 17 HB2 TRP 17 4.474 -1.417 3.437
47 HB3 TRP 17 HB1 TRP 17 2.986 -1.318 2.518
48 HD1 TRP 17 HD1 TRP 17 4.620 0.187 5.649
49 HE1 TRP 17 HE1 TRP 17 3.692 2.561 5.999
50 HE3 TRP 17 HE3 TRP 17 0.995 0.229 1.977
51 HZ2 TRP 17 HZ2 TRP 17 1.726 4.227 4.876
52 HZ3 TRP 17 HZ3 TRP 17 -0.310 2.256 1.692
53 HH2 TRP 17 HH2 TRP 17 0.019 4.213 3.114
54 H GLU 18 HN GLU 18 0.910 -3.709 3.432
55 HA GLU 18 HA GLU 18 2.474 -6.009 2.530
56 HB2 GLU 18 HB2 GLU 18 -0.469 -5.476 2.917
57 HB3 GLU 18 HB1 GLU 18 0.109 -6.915 2.100
58 HG2 GLU 18 HG2 GLU 18 0.640 -6.101 4.947
59 HG3 GLU 18 HG1 GLU 18 -0.372 -7.433 4.393
60 H VAL 19 HN VAL 19 2.372 -6.715 0.337
61 HA VAL 19 HA VAL 19 1.579 -4.578 -1.505
62 HB VAL 19 HB VAL 19 3.918 -5.310 -1.699
63 HG11 VAL 19 HG11 VAL 19 2.799 -7.977 -2.548
64 HG12 VAL 19 HG12 VAL 19 3.661 -7.654 -1.042
65 HG13 VAL 19 HG13 VAL 19 4.495 -7.498 -2.590
66 HG21 VAL 19 HG21 VAL 19 2.801 -4.406 -3.648
67 HG22 VAL 19 HG22 VAL 19 2.213 -6.010 -4.081
68 HG23 VAL 19 HG23 VAL 19 3.941 -5.664 -4.124
69 H ARG 20 HN ARG 20 -0.350 -4.759 -2.359
70 HA ARG 20 HA ARG 20 -1.335 -7.451 -3.053
71 HB2 ARG 20 HB2 ARG 20 -2.554 -6.036 -1.215
72 HB3 ARG 20 HB1 ARG 20 -3.175 -5.121 -2.583
73 HG2 ARG 20 HG2 ARG 20 -3.928 -7.376 -3.521
74 HG3 ARG 20 HG1 ARG 20 -3.622 -8.009 -1.904
75 HD2 ARG 20 HD2 ARG 20 -5.525 -5.784 -2.631
76 HD3 ARG 20 HD1 ARG 20 -5.965 -7.428 -2.183
77 HE ARG 20 HE ARG 20 -4.436 -6.159 -0.141
78 HH11 ARG 20 HH11 ARG 20 -7.630 -6.389 -1.546
79 HH12 ARG 20 HH12 ARG 20 -8.451 -5.887 -0.090
80 HH21 ARG 20 HH21 ARG 20 -5.521 -5.475 1.790
81 HH22 ARG 20 HH22 ARG 20 -7.247 -5.358 1.789
82 H HIS 21 HN HIS 21 -2.252 -7.686 -5.132
83 HA HIS 21 HA HIS 21 -1.528 -5.450 -6.907
84 HB2 HIS 21 HB2 HIS 21 -0.490 -7.907 -7.013
85 HB3 HIS 21 HB1 HIS 21 -1.923 -8.187 -7.997
86 HD1 HIS 21 HD1 HIS 21 -2.128 -6.694 -10.206
87 HD2 HIS 21 HD2 HIS 21 1.544 -6.553 -8.241
88 HE1 HIS 21 HE1 HIS 21 -0.513 -5.703 -11.856
89 HE2 HIS 21 HE2 HIS 21 1.737 -5.814 -10.722
90 H ALA 22 HN ALA 22 -3.086 -4.419 -7.887
91 HA ALA 22 HA ALA 22 -5.800 -5.452 -7.919
92 HB1 ALA 22 HB1 ALA 22 -6.365 -3.222 -8.798
93 HB2 ALA 22 HB2 ALA 22 -4.649 -2.829 -8.893
94 HB3 ALA 22 HB3 ALA 22 -5.402 -3.108 -7.326
95 HA PRO 23 HA PRO 23 -5.935 -6.436 -12.369
96 HB2 PRO 23 HB2 PRO 23 -7.883 -4.239 -12.811
97 HB3 PRO 23 HB1 PRO 23 -8.017 -5.956 -13.207
98 HG2 PRO 23 HG2 PRO 23 -9.381 -4.915 -11.169
99 HG3 PRO 23 HG1 PRO 23 -8.667 -6.535 -11.060
100 HD2 PRO 23 HD2 PRO 23 -7.706 -3.956 -9.887
101 HD3 PRO 23 HD1 PRO 23 -7.702 -5.585 -9.182
102 H ASN 24 HN ASN 24 -5.523 -3.181 -11.267
103 HA ASN 24 HA ASN 24 -4.371 -1.986 -13.539
104 HB2 ASN 24 HB2 ASN 24 -5.045 -0.891 -11.339
105 HB3 ASN 24 HB1 ASN 24 -3.534 -1.514 -10.684
106 HD21 ASN 24 HD21 ASN 24 -3.807 -0.429 -13.997
107 HD22 ASN 24 HD22 ASN 24 -2.853 1.002 -13.802
108 H GLY 25 HN GLY 25 -2.388 -2.180 -14.469
109 HA2 GLY 25 HA2 GLY 25 -0.620 -4.295 -13.705
110 HA3 GLY 25 HA1 GLY 25 -0.284 -3.043 -14.898
111 H ARG 26 HN ARG 26 -0.833 -3.224 -11.428
112 HA ARG 26 HA ARG 26 1.594 -1.893 -10.710
113 HB2 ARG 26 HB2 ARG 26 0.398 0.036 -11.529
114 HB3 ARG 26 HB1 ARG 26 -1.072 -0.449 -10.700
115 HG2 ARG 26 HG2 ARG 26 -0.025 1.389 -9.561
116 HG3 ARG 26 HG1 ARG 26 0.106 -0.059 -8.560
117 HD2 ARG 26 HD2 ARG 26 2.403 -0.380 -9.366
118 HD3 ARG 26 HD1 ARG 26 2.261 1.105 -10.304
119 HE ARG 26 HE ARG 26 1.617 1.846 -7.758
120 HH11 ARG 26 HH11 ARG 26 4.365 0.219 -9.231
121 HH12 ARG 26 HH12 ARG 26 5.523 0.885 -8.119
122 HH21 ARG 26 HH21 ARG 26 3.194 2.763 -6.317
123 HH22 ARG 26 HH22 ARG 26 4.872 2.320 -6.470
124 HA PRO 27 HA PRO 27 -0.074 -3.808 -6.934
125 HB2 PRO 27 HB2 PRO 27 2.453 -3.462 -5.649
126 HB3 PRO 27 HB1 PRO 27 1.791 -4.945 -6.329
127 HG2 PRO 27 HG2 PRO 27 4.000 -3.626 -7.313
128 HG3 PRO 27 HG1 PRO 27 2.995 -4.741 -8.249
129 HD2 PRO 27 HD2 PRO 27 2.959 -1.747 -8.201
130 HD3 PRO 27 HD1 PRO 27 2.788 -2.864 -9.574
131 H PHE 28 HN PHE 28 -1.194 -2.695 -5.451
132 HA PHE 28 HA PHE 28 -0.271 -0.032 -4.702
133 HB2 PHE 28 HB2 PHE 28 -2.508 0.285 -3.720
134 HB3 PHE 28 HB1 PHE 28 -2.592 -0.165 -5.414
135 HD1 PHE 28 HD1 PHE 28 -3.251 -2.516 -6.013
136 HD2 PHE 28 HD2 PHE 28 -3.581 -0.979 -2.060
137 HE1 PHE 28 HE1 PHE 28 -4.849 -4.300 -5.454
138 HE2 PHE 28 HE2 PHE 28 -5.170 -2.765 -1.494
139 HZ PHE 28 HZ PHE 28 -5.809 -4.426 -3.196
140 H PHE 29 HN PHE 29 0.211 0.539 -2.638
141 HA PHE 29 HA PHE 29 1.123 -1.666 -0.963
142 HB2 PHE 29 HB2 PHE 29 1.592 1.317 -0.773
143 HB3 PHE 29 HB1 PHE 29 2.438 0.081 0.158
144 HD1 PHE 29 HD2 PHE 29 3.919 -1.538 -1.038
145 HD2 PHE 29 HD1 PHE 29 2.188 1.843 -2.972
146 HE1 PHE 29 HE2 PHE 29 5.505 -1.801 -2.896
147 HE2 PHE 29 HE1 PHE 29 3.774 1.575 -4.841
148 HZ PHE 29 HZ PHE 29 5.425 -0.253 -4.806
149 H ILE 30 HN ILE 30 0.442 -2.001 1.170
150 HA ILE 30 HA ILE 30 -1.655 -0.199 2.031
151 HB ILE 30 HB ILE 30 -3.015 -2.235 2.782
152 HG12 ILE 30 HG12 ILE 30 -1.197 -3.620 0.813
153 HG13 ILE 30 HG11 ILE 30 -1.220 -3.887 2.553
154 HG21 ILE 30 HG21 ILE 30 -4.051 -2.557 0.600
155 HG22 ILE 30 HG22 ILE 30 -2.660 -1.799 -0.177
156 HG23 ILE 30 HG23 ILE 30 -3.695 -0.853 0.892
157 HD11 ILE 30 HD11 ILE 30 -3.498 -4.735 2.393
158 HD12 ILE 30 HD12 ILE 30 -2.396 -5.648 1.362
159 HD13 ILE 30 HD13 ILE 30 -3.483 -4.454 0.653
160 H ASP 31 HN ASP 31 -1.528 0.468 4.009
161 HA ASP 31 HA ASP 31 0.267 -0.875 5.872
162 HB2 ASP 31 HB2 ASP 31 0.533 1.505 5.777
163 HB3 ASP 31 HB1 ASP 31 -1.197 1.765 5.984
164 H HIS 32 HN HIS 32 -0.416 -2.208 7.377
165 HA HIS 32 HA HIS 32 -3.287 -2.577 7.689
166 HB2 HIS 32 HB2 HIS 32 -0.897 -4.229 8.486
167 HB3 HIS 32 HB1 HIS 32 -2.527 -4.621 9.026
168 HD1 HIS 32 HD1 HIS 32 -3.209 -6.594 7.670
169 HD2 HIS 32 HD2 HIS 32 -1.330 -3.686 5.373
170 HE1 HIS 32 HE1 HIS 32 -3.422 -7.367 5.283
171 HE2 HIS 32 HE2 HIS 32 -2.453 -5.496 3.919
172 H ASN 33 HN ASN 33 -1.098 -0.664 9.145
173 HA ASN 33 HA ASN 33 -1.749 -1.252 11.902
174 HB2 ASN 33 HB2 ASN 33 -0.135 1.016 10.713
175 HB3 ASN 33 HB1 ASN 33 -0.295 0.680 12.434
176 HD21 ASN 33 HD21 ASN 33 1.230 -0.202 9.468
177 HD22 ASN 33 HD22 ASN 33 2.300 -1.394 10.140
178 H THR 34 HN THR 34 -2.297 1.465 9.651
179 HA THR 34 HA THR 34 -4.512 2.300 11.424
180 HB THR 34 HB THR 34 -2.624 3.927 11.365
181 HG1 THR 34 HG1 THR 34 -5.121 4.729 10.254
182 HG21 THR 34 HG21 THR 34 -2.268 5.271 9.344
183 HG22 THR 34 HG22 THR 34 -3.383 4.230 8.459
184 HG23 THR 34 HG23 THR 34 -1.864 3.576 9.073
185 H LYS 35 HN LYS 35 -3.976 0.700 8.740
186 HA LYS 35 HA LYS 35 -5.094 0.160 6.867
187 HB2 LYS 35 HB2 LYS 35 -7.460 1.583 8.091
188 HB3 LYS 35 HB1 LYS 35 -7.501 0.361 6.832
189 HG2 LYS 35 HG2 LYS 35 -6.809 0.001 9.733
190 HG3 LYS 35 HG1 LYS 35 -8.171 -0.681 8.846
191 HD2 LYS 35 HD2 LYS 35 -6.470 -1.911 7.439
192 HD3 LYS 35 HD1 LYS 35 -5.256 -1.397 8.610
193 HE2 LYS 35 HE2 LYS 35 -6.731 -2.460 10.382
194 HE3 LYS 35 HE1 LYS 35 -7.641 -3.182 9.048
195 HZ1 LYS 35 HZ1 LYS 35 -4.757 -3.582 9.620
196 HZ2 LYS 35 HZ2 LYS 35 -5.583 -4.210 8.275
197 HZ3 LYS 35 HZ3 LYS 35 -5.994 -4.722 9.842
198 H THR 36 HN THR 36 -3.751 1.542 5.631
199 HA THR 36 HA THR 36 -5.342 3.452 4.136
200 HB THR 36 HB THR 36 -4.267 4.917 5.776
201 HG1 THR 36 HG1 THR 36 -4.270 6.151 4.047
202 HG21 THR 36 HG21 THR 36 -1.666 3.788 4.734
203 HG22 THR 36 HG22 THR 36 -2.330 3.559 6.351
204 HG23 THR 36 HG23 THR 36 -1.816 5.163 5.827
205 H THR 37 HN THR 37 -4.485 3.828 2.003
206 HA THR 37 HA THR 37 -2.430 1.883 1.220
207 HB THR 37 HB THR 37 -4.616 0.893 0.747
208 HG1 THR 37 HG1 THR 37 -2.763 0.703 -0.764
209 HG21 THR 37 HG21 THR 37 -5.953 2.904 0.499
210 HG22 THR 37 HG22 THR 37 -6.101 1.897 -0.943
211 HG23 THR 37 HG23 THR 37 -5.077 3.332 -0.969
212 H THR 38 HN THR 38 -1.255 2.393 -0.665
213 HA THR 38 HA THR 38 -1.682 5.015 -1.851
214 HB THR 38 HB THR 38 -0.200 5.530 -0.001
215 HG1 THR 38 HG1 THR 38 1.823 5.838 -1.597
216 HG21 THR 38 HG21 THR 38 0.737 3.318 0.384
217 HG22 THR 38 HG22 THR 38 2.024 4.505 0.178
218 HG23 THR 38 HG23 THR 38 1.617 3.408 -1.141
219 H TRP 39 HN TRP 39 -0.920 5.234 -3.915
220 HA TRP 39 HA TRP 39 0.143 2.815 -5.163
221 HB2 TRP 39 HB2 TRP 39 -0.842 5.411 -6.369
222 HB3 TRP 39 HB1 TRP 39 -0.203 4.061 -7.302
223 HD1 TRP 39 HD1 TRP 39 -3.314 5.254 -5.513
224 HE1 TRP 39 HE1 TRP 39 -5.235 3.601 -5.956
225 HE3 TRP 39 HE3 TRP 39 -0.635 1.475 -7.768
226 HZ2 TRP 39 HZ2 TRP 39 -5.589 1.060 -7.097
227 HZ3 TRP 39 HZ3 TRP 39 -1.880 -0.524 -8.492
228 HH2 TRP 39 HH2 TRP 39 -4.292 -0.730 -8.168
229 H GLU 40 HN GLU 40 1.256 5.520 -3.653
230 HA GLU 40 HA GLU 40 3.725 5.612 -5.233
231 HB2 GLU 40 HB2 GLU 40 2.791 7.399 -2.973
232 HB3 GLU 40 HB1 GLU 40 4.275 7.609 -3.893
233 HG2 GLU 40 HG2 GLU 40 2.896 7.891 -5.940
234 HG3 GLU 40 HG1 GLU 40 1.457 7.842 -4.922
235 H ASP 41 HN ASP 41 5.354 4.414 -4.599
236 HA ASP 41 HA ASP 41 5.402 2.625 -2.519
237 HB2 ASP 41 HB2 ASP 41 7.793 3.997 -3.766
238 HB3 ASP 41 HB1 ASP 41 7.820 2.458 -2.912
239 HA PRO 42 HA PRO 42 5.785 5.460 0.952
240 HB2 PRO 42 HB2 PRO 42 6.162 2.998 2.516
241 HB3 PRO 42 HB1 PRO 42 4.960 4.276 2.693
242 HG2 PRO 42 HG2 PRO 42 4.381 1.816 1.706
243 HG3 PRO 42 HG1 PRO 42 3.497 3.271 1.247
244 HD2 PRO 42 HD2 PRO 42 5.477 1.705 -0.273
245 HD3 PRO 42 HD1 PRO 42 4.142 2.704 -0.862
246 H ARG 43 HN ARG 43 8.144 3.111 -0.080
247 HA ARG 43 HA ARG 43 10.139 4.045 1.788
248 HB2 ARG 43 HB2 ARG 43 10.324 2.254 -0.626
249 HB3 ARG 43 HB1 ARG 43 11.752 2.806 0.238
250 HG2 ARG 43 HG2 ARG 43 10.668 1.827 2.324
251 HG3 ARG 43 HG1 ARG 43 9.549 1.028 1.221
252 HD2 ARG 43 HD2 ARG 43 11.460 -0.016 0.071
253 HD3 ARG 43 HD1 ARG 43 12.553 0.754 1.219
254 HE ARG 43 HE ARG 43 10.752 -1.482 1.742
255 HH11 ARG 43 HH11 ARG 43 13.140 0.772 2.951
256 HH12 ARG 43 HH12 ARG 43 13.451 -0.147 4.394
257 HH21 ARG 43 HH21 ARG 43 11.174 -2.701 3.620
258 HH22 ARG 43 HH22 ARG 43 12.352 -2.126 4.770
259 H LEU 44 HN LEU 44 9.144 4.768 -1.477
260 HA LEU 44 HA LEU 44 11.420 6.453 -2.003
261 HB2 LEU 44 HB2 LEU 44 8.950 5.717 -3.509
262 HB3 LEU 44 HB1 LEU 44 9.840 7.148 -3.990
263 HG LEU 44 HG LEU 44 10.484 5.252 -5.356
264 HD11 LEU 44 HD11 LEU 44 12.656 6.049 -3.427
265 HD12 LEU 44 HD12 LEU 44 12.188 6.907 -4.897
266 HD13 LEU 44 HD13 LEU 44 12.907 5.301 -5.004
267 HD21 LEU 44 HD21 LEU 44 11.667 3.327 -4.379
268 HD22 LEU 44 HD22 LEU 44 9.991 3.425 -3.853
269 HD23 LEU 44 HD23 LEU 44 11.282 3.928 -2.767
270 H LYS 45 HN LYS 45 8.400 6.777 -0.478
271 HA LYS 45 HA LYS 45 8.990 9.598 -0.021
272 HB2 LYS 45 HB2 LYS 45 7.169 9.197 -1.869
273 HB3 LYS 45 HB1 LYS 45 6.135 8.800 -0.506
274 HG2 LYS 45 HG2 LYS 45 7.582 11.418 -0.888
275 HG3 LYS 45 HG1 LYS 45 5.882 11.127 -1.242
276 HD2 LYS 45 HD2 LYS 45 7.140 10.831 1.487
277 HD3 LYS 45 HD1 LYS 45 6.278 12.266 0.933
278 HE2 LYS 45 HE2 LYS 45 4.247 10.958 0.652
279 HE3 LYS 45 HE1 LYS 45 5.104 9.494 1.137
280 HZ1 LYS 45 HZ1 LYS 45 5.379 10.329 3.327
281 HZ2 LYS 45 HZ2 LYS 45 3.749 10.583 2.920
282 HZ3 LYS 45 HZ3 LYS 45 4.841 11.878 2.887
283 H ILE 46 HN ILE 46 9.434 9.447 2.090
284 HA ILE 46 HA ILE 46 7.757 7.824 3.811
285 HB ILE 46 HB ILE 46 9.279 8.510 5.649
286 HG12 ILE 46 HG12 ILE 46 10.022 10.677 4.526
287 HG13 ILE 46 HG11 ILE 46 11.277 9.726 5.307
288 HG21 ILE 46 HG21 ILE 46 11.188 7.161 4.900
289 HG22 ILE 46 HG22 ILE 46 10.582 7.255 3.246
290 HG23 ILE 46 HG23 ILE 46 9.635 6.436 4.488
291 HD11 ILE 46 HD11 ILE 46 10.718 9.826 2.351
292 HD12 ILE 46 HD12 ILE 46 11.977 8.867 3.129
293 HD13 ILE 46 HD13 ILE 46 12.044 10.628 3.194
294 H THR 112 H THR 112 -12.616 6.851 -8.566
295 HA THR 112 HA THR 112 -11.423 7.479 -6.577
296 HB THR 112 HB THR 112 -13.042 6.648 -4.928
297 HG1 THR 112 HG1 THR 112 -10.938 5.107 -4.104
298 HG21 THR 112 HG21 THR 112 -13.710 4.565 -5.992
299 HG22 THR 112 HG22 THR 112 -13.124 4.254 -4.358
300 HG23 THR 112 HG23 THR 112 -12.094 3.899 -5.746
301 H ALA 113 HN ALA 113 -9.326 6.916 -6.657
302 HA ALA 113 HA ALA 113 -8.596 4.611 -8.278
303 HB1 ALA 113 HB1 ALA 113 -7.508 6.753 -8.730
304 HB2 ALA 113 HB2 ALA 113 -6.338 5.523 -8.251
305 HB3 ALA 113 HB3 ALA 113 -6.839 6.761 -7.099
306 HA PRO 114 HA PRO 114 -6.522 3.395 -4.065
307 HB2 PRO 114 HB2 PRO 114 -7.922 5.075 -2.097
308 HB3 PRO 114 HB1 PRO 114 -6.198 4.729 -2.247
309 HG2 PRO 114 HG2 PRO 114 -7.202 7.147 -2.830
310 HG3 PRO 114 HG1 PRO 114 -5.843 6.454 -3.736
311 HD2 PRO 114 HD2 PRO 114 -8.745 6.590 -4.483
312 HD3 PRO 114 HD1 PRO 114 -7.309 6.892 -5.485
313 HA PRO 115 HA PRO 115 -10.232 0.922 -3.533
314 HB2 PRO 115 HB2 PRO 115 -9.028 -1.103 -2.181
315 HB3 PRO 115 HB1 PRO 115 -8.876 -0.902 -3.929
316 HG2 PRO 115 HG2 PRO 115 -6.973 -0.096 -1.762
317 HG3 PRO 115 HG1 PRO 115 -6.636 -0.894 -3.311
318 HD2 PRO 115 HD2 PRO 115 -6.257 1.750 -2.945
319 HD3 PRO 115 HD1 PRO 115 -6.777 1.076 -4.503
320 H GLU 116 HN GLU 116 -11.723 0.712 -1.913
321 HA GLU 116 HA GLU 116 -11.481 2.180 0.470
322 HB2 GLU 116 HB2 GLU 116 -13.321 -0.105 0.635
323 HB3 GLU 116 HB1 GLU 116 -13.632 1.602 0.878
324 HG2 GLU 116 HG2 GLU 116 -14.954 1.031 -0.945
325 HG3 GLU 116 HG1 GLU 116 -13.545 1.813 -1.661
326 H TYR 117 HN TYR 117 -10.629 1.693 2.425
327 HA TYR 117 HA TYR 117 -9.244 -0.903 2.502
328 HB2 TYR 117 HB2 TYR 117 -7.922 1.318 2.319
329 HB3 TYR 117 HB1 TYR 117 -8.335 1.528 4.019
330 HD1 TYR 117 HD2 TYR 117 -8.168 -1.324 4.907
331 HD2 TYR 117 HD1 TYR 117 -5.589 0.967 2.432
332 HE1 TYR 117 HE2 TYR 117 -6.309 -2.785 5.511
333 HE2 TYR 117 HE1 TYR 117 -3.712 -0.503 3.041
334 HH TYR 117 HH TYR 117 -4.220 -3.473 4.721
335 H MET 118 HN MET 118 -9.900 -2.285 3.953
336 HA MET 118 HA MET 118 -9.633 -1.775 6.670
337 HB2 MET 118 HB2 MET 118 -11.948 -2.102 7.489
338 HB3 MET 118 HB1 MET 118 -11.742 -0.593 6.616
339 HG2 MET 118 HG2 MET 118 -12.746 -1.668 4.621
340 HG3 MET 118 HG1 MET 118 -13.052 -3.104 5.598
341 HE1 MET 118 HE1 MET 118 -13.684 -1.556 8.412
342 HE2 MET 118 HE2 MET 118 -14.557 -2.990 7.873
343 HE3 MET 118 HE3 MET 118 -15.450 -1.549 8.361
344 H GLU 119 HN GLU 119 -8.548 -3.651 6.940
345 HA GLU 119 HA GLU 119 -10.148 -6.075 6.695
346 HB2 GLU 119 HB2 GLU 119 -8.691 -7.277 5.413
347 HB3 GLU 119 HB1 GLU 119 -8.454 -5.693 4.711
348 HG2 GLU 119 HG2 GLU 119 -6.658 -6.800 6.848
349 HG3 GLU 119 HG1 GLU 119 -6.403 -7.121 5.138
350 H ALA 120 HN ALA 120 -8.362 -7.940 7.588
351 HA ALA 120 HA ALA 120 -8.157 -7.300 10.370
352 HB1 ALA 120 HB1 ALA 120 -8.738 -9.554 9.641
353 HB2 ALA 120 HB2 ALA 120 -7.259 -9.569 10.603
354 HB3 ALA 120 HB3 ALA 120 -7.171 -9.712 8.848
Start of MODEL 13
1 H PHE 12 H PHE 12 10.644 -5.721 2.284
2 HA PHE 12 HA PHE 12 13.258 -4.719 1.320
3 HB2 PHE 12 HB2 PHE 12 12.105 -6.294 -0.245
4 HB3 PHE 12 HB1 PHE 12 10.710 -5.222 -0.239
5 HD1 PHE 12 HD1 PHE 12 14.368 -5.209 -0.938
6 HD2 PHE 12 HD2 PHE 12 10.544 -3.583 -1.854
7 HE1 PHE 12 HE1 PHE 12 15.360 -3.933 -2.791
8 HE2 PHE 12 HE2 PHE 12 11.530 -2.301 -3.708
9 HZ PHE 12 HZ PHE 12 13.941 -2.475 -4.178
10 H LEU 13 HN LEU 13 9.756 -4.020 1.206
11 HA LEU 13 HA LEU 13 10.351 -1.207 1.671
12 HB2 LEU 13 HB2 LEU 13 7.754 -1.037 1.496
13 HB3 LEU 13 HB1 LEU 13 8.717 -1.241 0.049
14 HG LEU 13 HG LEU 13 6.591 -2.542 0.097
15 HD11 LEU 13 HD11 LEU 13 9.123 -4.150 -0.120
16 HD12 LEU 13 HD12 LEU 13 8.352 -3.212 -1.399
17 HD13 LEU 13 HD13 LEU 13 7.547 -4.637 -0.743
18 HD21 LEU 13 HD21 LEU 13 6.533 -3.149 2.437
19 HD22 LEU 13 HD22 LEU 13 7.980 -4.137 2.237
20 HD23 LEU 13 HD23 LEU 13 6.483 -4.589 1.422
21 HA PRO 14 HA PRO 14 9.108 -0.660 5.953
22 HB2 PRO 14 HB2 PRO 14 6.392 0.001 4.868
23 HB3 PRO 14 HB1 PRO 14 7.249 0.759 6.214
24 HG2 PRO 14 HG2 PRO 14 7.259 1.938 3.867
25 HG3 PRO 14 HG1 PRO 14 8.780 1.816 4.776
26 HD2 PRO 14 HD2 PRO 14 7.880 0.304 2.376
27 HD3 PRO 14 HD1 PRO 14 9.517 0.781 2.863
28 H LYS 15 HN LYS 15 8.477 -2.083 7.483
29 HA LYS 15 HA LYS 15 7.410 -4.591 6.619
30 HB2 LYS 15 HB2 LYS 15 7.668 -5.255 8.998
31 HB3 LYS 15 HB1 LYS 15 9.128 -4.574 8.296
32 HG2 LYS 15 HG2 LYS 15 8.725 -2.469 9.413
33 HG3 LYS 15 HG1 LYS 15 7.197 -3.073 10.052
34 HD2 LYS 15 HD2 LYS 15 8.942 -3.152 11.751
35 HD3 LYS 15 HD1 LYS 15 8.406 -4.777 11.331
36 HE2 LYS 15 HE2 LYS 15 10.735 -3.671 9.858
37 HE3 LYS 15 HE1 LYS 15 10.979 -4.119 11.545
38 HZ1 LYS 15 HZ1 LYS 15 9.907 -5.924 9.439
39 HZ2 LYS 15 HZ2 LYS 15 10.212 -6.342 11.050
40 HZ3 LYS 15 HZ3 LYS 15 11.498 -5.940 10.024
41 H GLY 16 HN GLY 16 5.781 -1.838 7.219
42 HA2 GLY 16 HA2 GLY 16 3.502 -3.208 8.482
43 HA3 GLY 16 HA1 GLY 16 3.720 -1.466 8.406
44 H TRP 17 HN TRP 17 4.634 -2.388 5.457
45 HA TRP 17 HA TRP 17 1.922 -1.984 4.392
46 HB2 TRP 17 HB2 TRP 17 4.599 -1.110 3.317
47 HB3 TRP 17 HB1 TRP 17 3.125 -1.047 2.367
48 HD1 TRP 17 HD1 TRP 17 4.700 0.512 5.504
49 HE1 TRP 17 HE1 TRP 17 3.667 2.827 5.887
50 HE3 TRP 17 HE3 TRP 17 1.024 0.396 1.896
51 HZ2 TRP 17 HZ2 TRP 17 1.614 4.410 4.803
52 HZ3 TRP 17 HZ3 TRP 17 -0.383 2.363 1.643
53 HH2 TRP 17 HH2 TRP 17 -0.123 4.327 3.070
54 H GLU 18 HN GLU 18 1.073 -3.535 3.296
55 HA GLU 18 HA GLU 18 2.645 -5.762 2.257
56 HB2 GLU 18 HB2 GLU 18 -0.332 -5.238 2.424
57 HB3 GLU 18 HB1 GLU 18 0.371 -6.710 1.784
58 HG2 GLU 18 HG2 GLU 18 0.717 -5.709 4.600
59 HG3 GLU 18 HG1 GLU 18 -0.436 -6.942 4.094
60 H VAL 19 HN VAL 19 2.773 -6.251 0.044
61 HA VAL 19 HA VAL 19 1.813 -4.125 -1.757
62 HB VAL 19 HB VAL 19 3.840 -6.266 -2.421
63 HG11 VAL 19 HG11 VAL 19 3.143 -3.670 -3.778
64 HG12 VAL 19 HG12 VAL 19 2.728 -5.287 -4.346
65 HG13 VAL 19 HG13 VAL 19 4.417 -4.783 -4.275
66 HG21 VAL 19 HG21 VAL 19 4.343 -3.437 -1.519
67 HG22 VAL 19 HG22 VAL 19 5.565 -4.564 -2.104
68 HG23 VAL 19 HG23 VAL 19 4.705 -4.898 -0.603
69 H ARG 20 HN ARG 20 -0.169 -4.627 -2.453
70 HA ARG 20 HA ARG 20 -0.664 -7.399 -3.325
71 HB2 ARG 20 HB2 ARG 20 -2.049 -6.788 -1.414
72 HB3 ARG 20 HB1 ARG 20 -2.619 -5.353 -2.253
73 HG2 ARG 20 HG2 ARG 20 -4.106 -6.501 -3.495
74 HG3 ARG 20 HG1 ARG 20 -3.060 -7.914 -3.640
75 HD2 ARG 20 HD2 ARG 20 -5.081 -8.401 -2.342
76 HD3 ARG 20 HD1 ARG 20 -3.618 -8.598 -1.384
77 HE ARG 20 HE ARG 20 -4.177 -6.605 -0.193
78 HH11 ARG 20 HH11 ARG 20 -6.645 -7.635 -2.452
79 HH12 ARG 20 HH12 ARG 20 -7.933 -6.830 -1.604
80 HH21 ARG 20 HH21 ARG 20 -5.870 -5.552 0.933
81 HH22 ARG 20 HH22 ARG 20 -7.487 -5.638 0.304
82 H HIS 21 HN HIS 21 -1.156 -7.731 -5.411
83 HA HIS 21 HA HIS 21 -1.015 -5.390 -7.135
84 HB2 HIS 21 HB2 HIS 21 0.365 -7.565 -7.416
85 HB3 HIS 21 HB1 HIS 21 -1.114 -8.241 -8.091
86 HD1 HIS 21 HD1 HIS 21 -1.899 -7.317 -10.413
87 HD2 HIS 21 HD2 HIS 21 1.710 -5.755 -9.039
88 HE1 HIS 21 HE1 HIS 21 -0.881 -6.106 -12.371
89 HE2 HIS 21 HE2 HIS 21 1.237 -5.068 -11.485
90 H ALA 22 HN ALA 22 -2.742 -4.500 -7.996
91 HA ALA 22 HA ALA 22 -5.300 -5.907 -7.928
92 HB1 ALA 22 HB1 ALA 22 -5.098 -3.595 -7.035
93 HB2 ALA 22 HB2 ALA 22 -6.298 -3.751 -8.314
94 HB3 ALA 22 HB3 ALA 22 -4.723 -3.038 -8.663
95 HA PRO 23 HA PRO 23 -5.484 -6.607 -12.336
96 HB2 PRO 23 HB2 PRO 23 -8.262 -5.631 -12.342
97 HB3 PRO 23 HB1 PRO 23 -7.637 -7.239 -12.720
98 HG2 PRO 23 HG2 PRO 23 -9.013 -6.769 -10.471
99 HG3 PRO 23 HG1 PRO 23 -7.658 -7.912 -10.509
100 HD2 PRO 23 HD2 PRO 23 -7.728 -5.089 -9.504
101 HD3 PRO 23 HD1 PRO 23 -6.957 -6.520 -8.787
102 H ASN 24 HN ASN 24 -5.286 -3.685 -11.063
103 HA ASN 24 HA ASN 24 -6.103 -2.037 -13.294
104 HB2 ASN 24 HB2 ASN 24 -4.674 -1.441 -10.706
105 HB3 ASN 24 HB1 ASN 24 -4.947 -0.221 -11.940
106 HD21 ASN 24 HD21 ASN 24 -7.281 -2.730 -11.278
107 HD22 ASN 24 HD22 ASN 24 -8.460 -1.705 -10.549
108 H GLY 25 HN GLY 25 -3.797 -4.193 -13.191
109 HA2 GLY 25 HA2 GLY 25 -1.648 -4.430 -13.980
110 HA3 GLY 25 HA1 GLY 25 -1.897 -2.918 -14.855
111 H ARG 26 HN ARG 26 -2.249 -3.313 -11.422
112 HA ARG 26 HA ARG 26 0.072 -1.641 -10.886
113 HB2 ARG 26 HB2 ARG 26 -1.695 -0.062 -11.496
114 HB3 ARG 26 HB1 ARG 26 -2.792 -0.797 -10.344
115 HG2 ARG 26 HG2 ARG 26 -1.959 1.210 -9.408
116 HG3 ARG 26 HG1 ARG 26 -1.154 -0.118 -8.567
117 HD2 ARG 26 HD2 ARG 26 0.841 0.203 -9.776
118 HD3 ARG 26 HD1 ARG 26 0.045 1.259 -10.938
119 HE ARG 26 HE ARG 26 0.302 2.071 -8.127
120 HH11 ARG 26 HH11 ARG 26 0.904 2.567 -11.539
121 HH12 ARG 26 HH12 ARG 26 1.577 4.160 -11.329
122 HH21 ARG 26 HH21 ARG 26 1.240 4.168 -7.843
123 HH22 ARG 26 HH22 ARG 26 1.761 5.066 -9.233
124 HA PRO 27 HA PRO 27 -0.544 -3.793 -6.969
125 HB2 PRO 27 HB2 PRO 27 1.998 -3.206 -6.061
126 HB3 PRO 27 HB1 PRO 27 1.578 -4.625 -7.018
127 HG2 PRO 27 HG2 PRO 27 3.175 -2.354 -7.781
128 HG3 PRO 27 HG1 PRO 27 2.833 -3.820 -8.709
129 HD2 PRO 27 HD2 PRO 27 1.640 -1.157 -8.935
130 HD3 PRO 27 HD1 PRO 27 1.584 -2.517 -10.076
131 H PHE 28 HN PHE 28 -1.507 -2.832 -5.252
132 HA PHE 28 HA PHE 28 -0.759 -0.059 -4.673
133 HB2 PHE 28 HB2 PHE 28 -2.856 0.076 -3.361
134 HB3 PHE 28 HB1 PHE 28 -3.134 -0.312 -5.048
135 HD1 PHE 28 HD1 PHE 28 -2.902 -1.865 -1.676
136 HD2 PHE 28 HD2 PHE 28 -4.476 -2.120 -5.620
137 HE1 PHE 28 HE1 PHE 28 -4.320 -3.748 -0.984
138 HE2 PHE 28 HE2 PHE 28 -5.894 -4.011 -4.928
139 HZ PHE 28 HZ PHE 28 -5.816 -4.825 -2.612
140 H PHE 29 HN PHE 29 0.035 0.525 -2.712
141 HA PHE 29 HA PHE 29 1.094 -1.600 -1.018
142 HB2 PHE 29 HB2 PHE 29 1.525 1.397 -1.021
143 HB3 PHE 29 HB1 PHE 29 2.373 0.261 0.024
144 HD1 PHE 29 HD1 PHE 29 3.921 -1.382 -0.962
145 HD2 PHE 29 HD2 PHE 29 2.116 1.697 -3.285
146 HE1 PHE 29 HE1 PHE 29 5.561 -1.789 -2.747
147 HE2 PHE 29 HE2 PHE 29 3.766 1.296 -5.084
148 HZ PHE 29 HZ PHE 29 5.483 -0.459 -4.810
149 H ILE 30 HN ILE 30 0.440 -1.943 1.107
150 HA ILE 30 HA ILE 30 -1.600 -0.102 2.052
151 HB ILE 30 HB ILE 30 -2.882 -2.208 2.882
152 HG12 ILE 30 HG12 ILE 30 -1.278 -3.382 0.605
153 HG13 ILE 30 HG11 ILE 30 -1.142 -3.828 2.302
154 HG21 ILE 30 HG21 ILE 30 -3.770 -0.652 1.241
155 HG22 ILE 30 HG22 ILE 30 -4.158 -2.315 0.798
156 HG23 ILE 30 HG23 ILE 30 -2.859 -1.460 -0.035
157 HD11 ILE 30 HD11 ILE 30 -3.564 -4.218 0.559
158 HD12 ILE 30 HD12 ILE 30 -3.438 -4.662 2.261
159 HD13 ILE 30 HD13 ILE 30 -2.425 -5.467 1.062
160 H ASP 31 HN ASP 31 -1.384 0.568 3.998
161 HA ASP 31 HA ASP 31 0.459 -0.747 5.827
162 HB2 ASP 31 HB2 ASP 31 0.760 1.603 5.699
163 HB3 ASP 31 HB1 ASP 31 -0.970 1.908 5.845
164 H HIS 32 HN HIS 32 -0.185 -2.059 7.378
165 HA HIS 32 HA HIS 32 -3.047 -2.289 7.903
166 HB2 HIS 32 HB2 HIS 32 -0.701 -4.095 8.317
167 HB3 HIS 32 HB1 HIS 32 -2.153 -4.338 9.283
168 HD1 HIS 32 HD1 HIS 32 -4.100 -5.488 8.192
169 HD2 HIS 32 HD2 HIS 32 -1.128 -4.434 5.474
170 HE1 HIS 32 HE1 HIS 32 -4.766 -6.541 6.006
171 HE2 HIS 32 HE2 HIS 32 -3.099 -5.674 4.341
172 H ASN 33 HN ASN 33 -0.809 -0.356 9.123
173 HA ASN 33 HA ASN 33 -1.374 -0.837 11.942
174 HB2 ASN 33 HB2 ASN 33 0.281 1.334 10.635
175 HB3 ASN 33 HB1 ASN 33 0.122 1.085 12.369
176 HD21 ASN 33 HD21 ASN 33 1.593 0.028 9.441
177 HD22 ASN 33 HD22 ASN 33 2.681 -1.116 10.163
178 H THR 34 HN THR 34 -2.136 1.471 9.395
179 HA THR 34 HA THR 34 -4.082 2.736 11.228
180 HB THR 34 HB THR 34 -3.241 4.490 9.086
181 HG1 THR 34 HG1 THR 34 -1.259 3.206 9.425
182 HG21 THR 34 HG21 THR 34 -4.392 5.226 11.112
183 HG22 THR 34 HG22 THR 34 -2.827 6.024 10.960
184 HG23 THR 34 HG23 THR 34 -3.028 4.689 12.094
185 H LYS 35 HN LYS 35 -4.003 0.703 8.778
186 HA LYS 35 HA LYS 35 -5.081 0.261 6.856
187 HB2 LYS 35 HB2 LYS 35 -7.260 1.580 8.472
188 HB3 LYS 35 HB1 LYS 35 -7.558 0.761 6.941
189 HG2 LYS 35 HG2 LYS 35 -6.659 -1.314 7.870
190 HG3 LYS 35 HG1 LYS 35 -6.359 -0.498 9.404
191 HD2 LYS 35 HD2 LYS 35 -8.691 -0.195 9.787
192 HD3 LYS 35 HD1 LYS 35 -9.088 -0.721 8.149
193 HE2 LYS 35 HE2 LYS 35 -9.561 -2.515 9.682
194 HE3 LYS 35 HE1 LYS 35 -8.178 -2.956 8.685
195 HZ1 LYS 35 HZ1 LYS 35 -8.233 -2.216 11.539
196 HZ2 LYS 35 HZ2 LYS 35 -6.804 -2.063 10.647
197 HZ3 LYS 35 HZ3 LYS 35 -7.548 -3.583 10.807
198 H THR 36 HN THR 36 -3.561 1.830 5.906
199 HA THR 36 HA THR 36 -5.058 3.843 4.378
200 HB THR 36 HB THR 36 -2.292 4.317 5.525
201 HG1 THR 36 HG1 THR 36 -4.645 4.496 6.742
202 HG21 THR 36 HG21 THR 36 -2.651 6.630 4.788
203 HG22 THR 36 HG22 THR 36 -4.209 6.169 4.104
204 HG23 THR 36 HG23 THR 36 -2.721 5.506 3.431
205 H THR 37 HN THR 37 -4.333 4.046 2.206
206 HA THR 37 HA THR 37 -2.298 2.062 1.431
207 HB THR 37 HB THR 37 -4.525 1.184 0.915
208 HG1 THR 37 HG1 THR 37 -2.680 0.873 -0.556
209 HG21 THR 37 HG21 THR 37 -5.742 3.284 0.654
210 HG22 THR 37 HG22 THR 37 -5.943 2.263 -0.770
211 HG23 THR 37 HG23 THR 37 -4.838 3.637 -0.818
212 H THR 38 HN THR 38 -1.044 2.520 -0.386
213 HA THR 38 HA THR 38 -1.381 5.105 -1.694
214 HB THR 38 HB THR 38 0.250 5.612 0.026
215 HG1 THR 38 HG1 THR 38 2.185 5.643 -1.715
216 HG21 THR 38 HG21 THR 38 2.395 4.429 0.158
217 HG22 THR 38 HG22 THR 38 1.840 3.290 -1.070
218 HG23 THR 38 HG23 THR 38 1.041 3.352 0.501
219 H TRP 39 HN TRP 39 -0.745 5.133 -3.817
220 HA TRP 39 HA TRP 39 -0.240 2.509 -4.961
221 HB2 TRP 39 HB2 TRP 39 -0.810 5.170 -6.281
222 HB3 TRP 39 HB1 TRP 39 -0.643 3.635 -7.130
223 HD1 TRP 39 HD1 TRP 39 -3.019 5.533 -4.814
224 HE1 TRP 39 HE1 TRP 39 -5.328 4.406 -4.893
225 HE3 TRP 39 HE3 TRP 39 -1.799 1.408 -7.607
226 HZ2 TRP 39 HZ2 TRP 39 -6.484 2.074 -5.998
227 HZ3 TRP 39 HZ3 TRP 39 -3.572 -0.205 -8.127
228 HH2 TRP 39 HH2 TRP 39 -5.864 0.113 -7.340
229 H GLU 40 HN GLU 40 1.557 4.988 -3.788
230 HA GLU 40 HA GLU 40 3.828 4.257 -5.499
231 HB2 GLU 40 HB2 GLU 40 4.713 6.587 -4.923
232 HB3 GLU 40 HB1 GLU 40 3.409 6.485 -6.096
233 HG2 GLU 40 HG2 GLU 40 1.840 6.946 -4.148
234 HG3 GLU 40 HG1 GLU 40 3.287 7.389 -3.242
235 H ASP 41 HN ASP 41 5.694 3.768 -4.518
236 HA ASP 41 HA ASP 41 5.540 2.327 -2.200
237 HB2 ASP 41 HB2 ASP 41 7.266 2.168 -4.006
238 HB3 ASP 41 HB1 ASP 41 8.061 3.569 -3.296
239 HA PRO 42 HA PRO 42 5.468 5.393 1.046
240 HB2 PRO 42 HB2 PRO 42 5.824 3.587 3.082
241 HB3 PRO 42 HB1 PRO 42 4.273 3.953 2.316
242 HG2 PRO 42 HG2 PRO 42 6.170 1.704 1.763
243 HG3 PRO 42 HG1 PRO 42 4.408 1.669 1.936
244 HD2 PRO 42 HD2 PRO 42 5.510 1.617 -0.474
245 HD3 PRO 42 HD1 PRO 42 4.055 2.583 -0.177
246 H ARG 43 HN ARG 43 8.230 3.471 0.221
247 HA ARG 43 HA ARG 43 9.904 4.155 2.390
248 HB2 ARG 43 HB2 ARG 43 10.485 3.428 -0.464
249 HB3 ARG 43 HB1 ARG 43 11.779 3.926 0.617
250 HG2 ARG 43 HG2 ARG 43 11.354 2.088 2.085
251 HG3 ARG 43 HG1 ARG 43 9.895 1.651 1.193
252 HD2 ARG 43 HD2 ARG 43 12.667 1.652 0.008
253 HD3 ARG 43 HD1 ARG 43 11.883 0.225 0.686
254 HE ARG 43 HE ARG 43 10.058 1.028 -1.094
255 HH11 ARG 43 HH11 ARG 43 13.533 0.664 -1.436
256 HH12 ARG 43 HH12 ARG 43 13.454 0.251 -3.123
257 HH21 ARG 43 HH21 ARG 43 9.939 0.460 -3.276
258 HH22 ARG 43 HH22 ARG 43 11.399 0.139 -4.179
259 H LEU 44 HN LEU 44 8.721 6.035 -0.240
260 HA LEU 44 HA LEU 44 10.657 8.142 0.072
261 HB2 LEU 44 HB2 LEU 44 8.003 8.086 -1.365
262 HB3 LEU 44 HB1 LEU 44 9.124 9.434 -1.402
263 HG LEU 44 HG LEU 44 9.622 6.665 -2.494
264 HD11 LEU 44 HD11 LEU 44 9.709 7.800 -4.652
265 HD12 LEU 44 HD12 LEU 44 9.323 9.331 -3.867
266 HD13 LEU 44 HD13 LEU 44 8.142 8.022 -3.874
267 HD21 LEU 44 HD21 LEU 44 11.665 7.580 -1.540
268 HD22 LEU 44 HD22 LEU 44 11.436 9.074 -2.448
269 HD23 LEU 44 HD23 LEU 44 11.751 7.564 -3.302
270 H LYS 45 HN LYS 45 8.002 7.110 1.856
271 HA LYS 45 HA LYS 45 7.338 9.762 2.890
272 HB2 LYS 45 HB2 LYS 45 6.318 7.020 3.660
273 HB3 LYS 45 HB1 LYS 45 5.715 8.541 4.309
274 HG2 LYS 45 HG2 LYS 45 5.610 7.702 1.420
275 HG3 LYS 45 HG1 LYS 45 4.262 7.661 2.560
276 HD2 LYS 45 HD2 LYS 45 5.782 10.177 1.932
277 HD3 LYS 45 HD1 LYS 45 4.379 9.660 1.007
278 HE2 LYS 45 HE2 LYS 45 3.051 9.647 3.090
279 HE3 LYS 45 HE1 LYS 45 4.463 10.239 3.964
280 HZ1 LYS 45 HZ1 LYS 45 4.429 12.234 2.596
281 HZ2 LYS 45 HZ2 LYS 45 2.952 12.039 3.402
282 HZ3 LYS 45 HZ3 LYS 45 3.073 11.659 1.755
283 H ILE 46 HN ILE 46 9.784 7.724 3.288
284 HA ILE 46 HA ILE 46 10.033 7.934 6.182
285 HB ILE 46 HB ILE 46 12.010 6.804 4.188
286 HG12 ILE 46 HG12 ILE 46 10.027 5.358 5.965
287 HG13 ILE 46 HG11 ILE 46 9.859 5.566 4.224
288 HG21 ILE 46 HG21 ILE 46 11.875 6.560 7.194
289 HG22 ILE 46 HG22 ILE 46 13.054 7.501 6.279
290 HG23 ILE 46 HG23 ILE 46 13.034 5.742 6.146
291 HD11 ILE 46 HD11 ILE 46 12.043 4.042 5.625
292 HD12 ILE 46 HD12 ILE 46 11.898 4.257 3.881
293 HD13 ILE 46 HD13 ILE 46 10.670 3.351 4.763
294 H THR 112 H THR 112 -7.514 2.620 -13.203
295 HA THR 112 HA THR 112 -7.005 2.197 -10.880
296 HB THR 112 HB THR 112 -5.796 4.824 -11.756
297 HG1 THR 112 HG1 THR 112 -5.105 3.791 -13.466
298 HG21 THR 112 HG21 THR 112 -4.657 2.458 -10.257
299 HG22 THR 112 HG22 THR 112 -5.109 4.007 -9.545
300 HG23 THR 112 HG23 THR 112 -3.774 3.921 -10.696
301 H ALA 113 HN ALA 113 -8.470 2.432 -9.255
302 HA ALA 113 HA ALA 113 -8.818 5.150 -8.184
303 HB1 ALA 113 HB1 ALA 113 -10.877 4.501 -9.342
304 HB2 ALA 113 HB2 ALA 113 -11.133 4.626 -7.602
305 HB3 ALA 113 HB3 ALA 113 -10.972 3.040 -8.358
306 HA PRO 114 HA PRO 114 -7.189 3.363 -4.496
307 HB2 PRO 114 HB2 PRO 114 -8.327 5.106 -2.693
308 HB3 PRO 114 HB1 PRO 114 -6.868 5.448 -3.628
309 HG2 PRO 114 HG2 PRO 114 -9.691 6.284 -4.145
310 HG3 PRO 114 HG1 PRO 114 -8.194 7.217 -4.329
311 HD2 PRO 114 HD2 PRO 114 -9.452 6.145 -6.444
312 HD3 PRO 114 HD1 PRO 114 -7.680 6.227 -6.361
313 HA PRO 115 HA PRO 115 -10.722 0.875 -3.211
314 HB2 PRO 115 HB2 PRO 115 -9.262 -1.014 -1.938
315 HB3 PRO 115 HB1 PRO 115 -9.401 -0.968 -3.699
316 HG2 PRO 115 HG2 PRO 115 -7.175 -0.005 -1.950
317 HG3 PRO 115 HG1 PRO 115 -7.092 -0.884 -3.488
318 HD2 PRO 115 HD2 PRO 115 -6.733 1.812 -3.277
319 HD3 PRO 115 HD1 PRO 115 -7.368 1.021 -4.733
320 H GLU 116 HN GLU 116 -11.909 1.337 -1.424
321 HA GLU 116 HA GLU 116 -10.878 2.829 0.718
322 HB2 GLU 116 HB2 GLU 116 -13.036 2.271 1.873
323 HB3 GLU 116 HB1 GLU 116 -13.216 2.983 0.277
324 HG2 GLU 116 HG2 GLU 116 -13.711 0.819 -0.673
325 HG3 GLU 116 HG1 GLU 116 -13.420 0.042 0.885
326 H TYR 117 HN TYR 117 -9.735 2.258 2.408
327 HA TYR 117 HA TYR 117 -8.869 -0.491 2.484
328 HB2 TYR 117 HB2 TYR 117 -7.356 1.551 2.552
329 HB3 TYR 117 HB1 TYR 117 -7.889 1.775 4.211
330 HD1 TYR 117 HD1 TYR 117 -7.931 -1.053 5.164
331 HD2 TYR 117 HD2 TYR 117 -5.116 1.023 2.755
332 HE1 TYR 117 HE1 TYR 117 -6.166 -2.567 5.943
333 HE2 TYR 117 HE2 TYR 117 -3.345 -0.494 3.520
334 HH TYR 117 HH TYR 117 -2.914 -1.937 5.516
335 H MET 118 HN MET 118 -9.831 -1.935 3.694
336 HA MET 118 HA MET 118 -9.661 -1.640 6.507
337 HB2 MET 118 HB2 MET 118 -11.910 -0.560 5.960
338 HB3 MET 118 HB1 MET 118 -12.466 -2.155 5.493
339 HG2 MET 118 HG2 MET 118 -11.400 -1.445 8.220
340 HG3 MET 118 HG1 MET 118 -13.108 -1.480 7.792
341 HE1 MET 118 HE1 MET 118 -13.472 -3.108 9.898
342 HE2 MET 118 HE2 MET 118 -11.742 -3.099 10.236
343 HE3 MET 118 HE3 MET 118 -12.609 -4.630 10.110
344 H GLU 119 HN GLU 119 -8.562 -3.412 6.691
345 HA GLU 119 HA GLU 119 -9.856 -5.948 6.206
346 HB2 GLU 119 HB2 GLU 119 -7.772 -6.867 5.108
347 HB3 GLU 119 HB1 GLU 119 -8.718 -5.766 4.118
348 HG2 GLU 119 HG2 GLU 119 -7.071 -3.968 5.026
349 HG3 GLU 119 HG1 GLU 119 -6.050 -5.361 5.380
350 H ALA 120 HN ALA 120 -9.705 -6.992 8.031
351 HA ALA 120 HA ALA 120 -9.108 -7.613 10.122
352 HB1 ALA 120 HB1 ALA 120 -7.212 -8.650 8.969
353 HB2 ALA 120 HB2 ALA 120 -6.749 -8.062 10.566
354 HB3 ALA 120 HB3 ALA 120 -6.295 -7.152 9.126
Start of MODEL 14
1 H PHE 12 H PHE 12 13.154 -6.440 1.783
2 HA PHE 12 HA PHE 12 11.675 -6.385 4.336
3 HB2 PHE 12 HB2 PHE 12 13.277 -4.764 5.149
4 HB3 PHE 12 HB1 PHE 12 14.141 -6.221 4.681
5 HD1 PHE 12 HD1 PHE 12 15.295 -6.228 2.398
6 HD2 PHE 12 HD2 PHE 12 13.881 -2.694 4.305
7 HE1 PHE 12 HE1 PHE 12 16.780 -4.874 0.982
8 HE2 PHE 12 HE2 PHE 12 15.365 -1.335 2.893
9 HZ PHE 12 HZ PHE 12 16.814 -2.424 1.226
10 H LEU 13 HN LEU 13 10.021 -5.037 4.254
11 HA LEU 13 HA LEU 13 10.085 -2.855 2.274
12 HB2 LEU 13 HB2 LEU 13 7.622 -4.312 3.254
13 HB3 LEU 13 HB1 LEU 13 7.670 -3.024 2.071
14 HG LEU 13 HG LEU 13 8.867 -5.768 1.680
15 HD11 LEU 13 HD11 LEU 13 6.406 -4.495 0.497
16 HD12 LEU 13 HD12 LEU 13 6.432 -5.800 1.683
17 HD13 LEU 13 HD13 LEU 13 7.068 -6.071 0.061
18 HD21 LEU 13 HD21 LEU 13 10.107 -4.041 0.489
19 HD22 LEU 13 HD22 LEU 13 8.607 -3.432 -0.212
20 HD23 LEU 13 HD23 LEU 13 9.190 -5.042 -0.635
21 HA PRO 14 HA PRO 14 9.182 0.250 5.364
22 HB2 PRO 14 HB2 PRO 14 6.457 0.389 4.144
23 HB3 PRO 14 HB1 PRO 14 7.550 1.708 4.588
24 HG2 PRO 14 HG2 PRO 14 7.300 0.965 2.043
25 HG3 PRO 14 HG1 PRO 14 8.876 1.436 2.704
26 HD2 PRO 14 HD2 PRO 14 7.857 -1.249 1.976
27 HD3 PRO 14 HD1 PRO 14 9.522 -0.639 2.003
28 H LYS 15 HN LYS 15 8.973 -0.713 7.314
29 HA LYS 15 HA LYS 15 7.998 -1.662 9.142
30 HB2 LYS 15 HB2 LYS 15 6.039 0.418 8.207
31 HB3 LYS 15 HB1 LYS 15 5.878 -0.399 9.760
32 HG2 LYS 15 HG2 LYS 15 8.009 0.458 10.475
33 HG3 LYS 15 HG1 LYS 15 8.303 1.152 8.878
34 HD2 LYS 15 HD2 LYS 15 7.580 2.874 10.426
35 HD3 LYS 15 HD1 LYS 15 6.356 2.621 9.182
36 HE2 LYS 15 HE2 LYS 15 5.069 1.233 10.729
37 HE3 LYS 15 HE1 LYS 15 6.298 1.478 11.971
38 HZ1 LYS 15 HZ1 LYS 15 4.452 2.961 12.309
39 HZ2 LYS 15 HZ2 LYS 15 4.607 3.587 10.743
40 HZ3 LYS 15 HZ3 LYS 15 5.829 3.860 11.887
41 H GLY 16 HN GLY 16 4.810 -1.212 7.663
42 HA2 GLY 16 HA2 GLY 16 4.511 -4.130 7.570
43 HA3 GLY 16 HA1 GLY 16 3.391 -3.157 8.501
44 H TRP 17 HN TRP 17 4.798 -2.917 5.233
45 HA TRP 17 HA TRP 17 2.064 -2.493 4.238
46 HB2 TRP 17 HB2 TRP 17 4.713 -1.672 3.046
47 HB3 TRP 17 HB1 TRP 17 3.175 -1.508 2.214
48 HD1 TRP 17 HD1 TRP 17 5.041 -0.186 5.280
49 HE1 TRP 17 HE1 TRP 17 4.132 2.154 5.858
50 HE3 TRP 17 HE3 TRP 17 1.119 0.045 1.926
51 HZ2 TRP 17 HZ2 TRP 17 2.088 3.884 4.975
52 HZ3 TRP 17 HZ3 TRP 17 -0.192 2.087 1.849
53 HH2 TRP 17 HH2 TRP 17 0.247 3.963 3.352
54 H GLU 18 HN GLU 18 1.162 -3.946 3.080
55 HA GLU 18 HA GLU 18 2.682 -6.171 1.948
56 HB2 GLU 18 HB2 GLU 18 -0.237 -5.656 2.499
57 HB3 GLU 18 HB1 GLU 18 0.278 -6.996 1.487
58 HG2 GLU 18 HG2 GLU 18 1.321 -6.609 4.269
59 HG3 GLU 18 HG1 GLU 18 -0.180 -7.472 3.936
60 H VAL 19 HN VAL 19 2.574 -6.675 -0.265
61 HA VAL 19 HA VAL 19 1.792 -4.413 -1.964
62 HB VAL 19 HB VAL 19 3.405 -6.843 -2.762
63 HG11 VAL 19 HG11 VAL 19 2.319 -5.668 -4.606
64 HG12 VAL 19 HG12 VAL 19 4.073 -5.498 -4.667
65 HG13 VAL 19 HG13 VAL 19 3.079 -4.162 -4.087
66 HG21 VAL 19 HG21 VAL 19 5.385 -5.415 -2.570
67 HG22 VAL 19 HG22 VAL 19 4.582 -5.631 -1.015
68 HG23 VAL 19 HG23 VAL 19 4.382 -4.123 -1.907
69 H ARG 20 HN ARG 20 -0.341 -4.603 -2.355
70 HA ARG 20 HA ARG 20 -1.411 -7.227 -3.164
71 HB2 ARG 20 HB2 ARG 20 -2.434 -5.885 -1.226
72 HB3 ARG 20 HB1 ARG 20 -3.004 -4.761 -2.450
73 HG2 ARG 20 HG2 ARG 20 -4.833 -6.126 -2.117
74 HG3 ARG 20 HG1 ARG 20 -4.073 -6.846 -3.537
75 HD2 ARG 20 HD2 ARG 20 -4.656 -8.632 -2.078
76 HD3 ARG 20 HD1 ARG 20 -2.906 -8.440 -1.982
77 HE ARG 20 HE ARG 20 -4.503 -7.078 0.048
78 HH11 ARG 20 HH11 ARG 20 -2.515 -9.838 -0.805
79 HH12 ARG 20 HH12 ARG 20 -2.189 -10.273 0.846
80 HH21 ARG 20 HH21 ARG 20 -4.107 -7.672 2.236
81 HH22 ARG 20 HH22 ARG 20 -3.070 -9.038 2.564
82 H HIS 21 HN HIS 21 -1.946 -7.517 -5.288
83 HA HIS 21 HA HIS 21 -1.546 -5.235 -7.054
84 HB2 HIS 21 HB2 HIS 21 -0.568 -7.623 -7.377
85 HB3 HIS 21 HB1 HIS 21 -2.170 -8.021 -7.994
86 HD1 HIS 21 HD1 HIS 21 -2.905 -6.843 -10.238
87 HD2 HIS 21 HD2 HIS 21 1.033 -6.141 -9.074
88 HE1 HIS 21 HE1 HIS 21 -1.760 -5.827 -12.244
89 HE2 HIS 21 HE2 HIS 21 0.648 -5.543 -11.562
90 H ALA 22 HN ALA 22 -3.139 -4.118 -7.958
91 HA ALA 22 HA ALA 22 -5.885 -5.153 -7.791
92 HB1 ALA 22 HB1 ALA 22 -6.547 -2.807 -8.248
93 HB2 ALA 22 HB2 ALA 22 -4.842 -2.358 -8.274
94 HB3 ALA 22 HB3 ALA 22 -5.570 -2.967 -6.792
95 HA PRO 23 HA PRO 23 -6.271 -5.648 -12.218
96 HB2 PRO 23 HB2 PRO 23 -8.789 -4.103 -12.150
97 HB3 PRO 23 HB1 PRO 23 -8.511 -5.776 -12.637
98 HG2 PRO 23 HG2 PRO 23 -9.750 -5.200 -10.343
99 HG3 PRO 23 HG1 PRO 23 -8.627 -6.567 -10.463
100 HD2 PRO 23 HD2 PRO 23 -8.172 -3.838 -9.306
101 HD3 PRO 23 HD1 PRO 23 -7.675 -5.424 -8.675
102 H ASN 24 HN ASN 24 -5.639 -2.795 -10.827
103 HA ASN 24 HA ASN 24 -6.030 -0.949 -12.985
104 HB2 ASN 24 HB2 ASN 24 -5.968 -0.357 -10.538
105 HB3 ASN 24 HB1 ASN 24 -4.239 -0.670 -10.579
106 HD21 ASN 24 HD21 ASN 24 -5.965 0.819 -13.237
107 HD22 ASN 24 HD22 ASN 24 -5.268 2.393 -13.057
108 H GLY 25 HN GLY 25 -4.196 -3.549 -12.978
109 HA2 GLY 25 HA2 GLY 25 -2.176 -4.186 -13.884
110 HA3 GLY 25 HA1 GLY 25 -2.170 -2.641 -14.735
111 H ARG 26 HN ARG 26 -2.508 -2.777 -11.334
112 HA ARG 26 HA ARG 26 0.210 -1.861 -10.879
113 HB2 ARG 26 HB2 ARG 26 -0.933 0.181 -11.462
114 HB3 ARG 26 HB1 ARG 26 -2.282 -0.202 -10.404
115 HG2 ARG 26 HG2 ARG 26 -1.107 0.391 -8.516
116 HG3 ARG 26 HG1 ARG 26 0.461 0.026 -9.241
117 HD2 ARG 26 HD2 ARG 26 0.198 2.423 -8.947
118 HD3 ARG 26 HD1 ARG 26 0.255 2.005 -10.657
119 HE ARG 26 HE ARG 26 -2.416 2.091 -9.806
120 HH11 ARG 26 HH11 ARG 26 0.274 4.275 -10.347
121 HH12 ARG 26 HH12 ARG 26 -0.744 5.595 -10.851
122 HH21 ARG 26 HH21 ARG 26 -3.743 3.818 -10.479
123 HH22 ARG 26 HH22 ARG 26 -3.025 5.339 -10.922
124 HA PRO 27 HA PRO 27 -0.915 -3.710 -6.939
125 HB2 PRO 27 HB2 PRO 27 1.666 -3.594 -5.947
126 HB3 PRO 27 HB1 PRO 27 0.996 -4.936 -6.867
127 HG2 PRO 27 HG2 PRO 27 3.045 -3.091 -7.645
128 HG3 PRO 27 HG1 PRO 27 2.397 -4.459 -8.562
129 HD2 PRO 27 HD2 PRO 27 1.828 -1.597 -8.836
130 HD3 PRO 27 HD1 PRO 27 1.511 -2.932 -9.966
131 H PHE 28 HN PHE 28 -1.869 -2.484 -5.470
132 HA PHE 28 HA PHE 28 -0.751 0.106 -4.768
133 HB2 PHE 28 HB2 PHE 28 -2.854 0.467 -3.547
134 HB3 PHE 28 HB1 PHE 28 -3.155 0.003 -5.213
135 HD1 PHE 28 HD2 PHE 28 -3.798 -2.423 -5.666
136 HD2 PHE 28 HD1 PHE 28 -3.828 -0.684 -1.787
137 HE1 PHE 28 HE2 PHE 28 -5.327 -4.193 -4.888
138 HE2 PHE 28 HE1 PHE 28 -5.360 -2.442 -1.006
139 HZ PHE 28 HZ PHE 28 -6.112 -4.199 -2.557
140 H PHE 29 HN PHE 29 0.018 0.582 -2.728
141 HA PHE 29 HA PHE 29 0.941 -1.723 -1.213
142 HB2 PHE 29 HB2 PHE 29 1.635 1.210 -1.110
143 HB3 PHE 29 HB1 PHE 29 2.370 -0.012 -0.073
144 HD1 PHE 29 HD2 PHE 29 3.717 -1.826 -1.098
145 HD2 PHE 29 HD1 PHE 29 2.255 1.480 -3.356
146 HE1 PHE 29 HE2 PHE 29 5.276 -2.396 -2.909
147 HE2 PHE 29 HE1 PHE 29 3.815 0.904 -5.191
148 HZ PHE 29 HZ PHE 29 5.319 -1.044 -4.961
149 H ILE 30 HN ILE 30 0.463 -2.139 0.916
150 HA ILE 30 HA ILE 30 -1.527 -0.359 2.043
151 HB ILE 30 HB ILE 30 -2.801 -2.443 2.825
152 HG12 ILE 30 HG12 ILE 30 -1.239 -3.676 0.552
153 HG13 ILE 30 HG11 ILE 30 -1.017 -4.053 2.257
154 HG21 ILE 30 HG21 ILE 30 -4.062 -2.595 0.744
155 HG22 ILE 30 HG22 ILE 30 -2.755 -1.768 -0.107
156 HG23 ILE 30 HG23 ILE 30 -3.667 -0.924 1.146
157 HD11 ILE 30 HD11 ILE 30 -3.508 -4.536 0.643
158 HD12 ILE 30 HD12 ILE 30 -3.311 -4.895 2.358
159 HD13 ILE 30 HD13 ILE 30 -2.341 -5.754 1.161
160 H ASP 31 HN ASP 31 -1.226 0.226 3.984
161 HA ASP 31 HA ASP 31 0.605 -1.212 5.730
162 HB2 ASP 31 HB2 ASP 31 0.851 1.193 5.671
163 HB3 ASP 31 HB1 ASP 31 -0.860 1.421 6.017
164 H HIS 32 HN HIS 32 -0.091 -2.651 7.159
165 HA HIS 32 HA HIS 32 -2.947 -3.041 7.441
166 HB2 HIS 32 HB2 HIS 32 -0.546 -4.642 8.292
167 HB3 HIS 32 HB1 HIS 32 -2.162 -5.040 8.868
168 HD1 HIS 32 HD1 HIS 32 -3.265 -6.767 7.496
169 HD2 HIS 32 HD2 HIS 32 -0.607 -4.486 5.257
170 HE1 HIS 32 HE1 HIS 32 -3.430 -7.644 5.146
171 HE2 HIS 32 HE2 HIS 32 -1.965 -6.123 3.789
172 H ASN 33 HN ASN 33 -0.762 -1.151 9.028
173 HA ASN 33 HA ASN 33 -1.664 -1.663 11.726
174 HB2 ASN 33 HB2 ASN 33 0.012 0.631 10.677
175 HB3 ASN 33 HB1 ASN 33 -0.212 0.192 12.367
176 HD21 ASN 33 HD21 ASN 33 1.505 -0.423 9.460
177 HD22 ASN 33 HD22 ASN 33 2.562 -1.643 10.096
178 H THR 34 HN THR 34 -1.845 1.105 9.492
179 HA THR 34 HA THR 34 -4.035 2.186 11.144
180 HB THR 34 HB THR 34 -2.541 3.708 9.019
181 HG1 THR 34 HG1 THR 34 -1.034 2.786 10.540
182 HG21 THR 34 HG21 THR 34 -3.134 5.635 10.415
183 HG22 THR 34 HG22 THR 34 -3.918 4.560 11.572
184 HG23 THR 34 HG23 THR 34 -4.572 4.732 9.942
185 H LYS 35 HN LYS 35 -3.755 0.289 8.546
186 HA LYS 35 HA LYS 35 -4.770 -0.101 6.584
187 HB2 LYS 35 HB2 LYS 35 -7.067 1.297 7.967
188 HB3 LYS 35 HB1 LYS 35 -7.206 0.366 6.485
189 HG2 LYS 35 HG2 LYS 35 -7.892 -1.162 8.058
190 HG3 LYS 35 HG1 LYS 35 -6.181 -1.561 7.907
191 HD2 LYS 35 HD2 LYS 35 -5.658 -0.383 9.927
192 HD3 LYS 35 HD1 LYS 35 -7.287 0.289 10.018
193 HE2 LYS 35 HE2 LYS 35 -7.326 -1.447 11.569
194 HE3 LYS 35 HE1 LYS 35 -8.075 -2.146 10.137
195 HZ1 LYS 35 HZ1 LYS 35 -5.286 -2.579 11.072
196 HZ2 LYS 35 HZ2 LYS 35 -5.901 -3.156 9.602
197 HZ3 LYS 35 HZ3 LYS 35 -6.551 -3.711 11.062
198 H THR 36 HN THR 36 -3.443 1.161 5.277
199 HA THR 36 HA THR 36 -4.800 3.479 4.106
200 HB THR 36 HB THR 36 -1.857 3.570 4.815
201 HG1 THR 36 HG1 THR 36 -4.107 4.135 6.316
202 HG21 THR 36 HG21 THR 36 -2.515 4.975 2.918
203 HG22 THR 36 HG22 THR 36 -2.078 5.960 4.314
204 HG23 THR 36 HG23 THR 36 -3.777 5.718 3.901
205 H THR 37 HN THR 37 -4.473 3.707 1.898
206 HA THR 37 HA THR 37 -2.872 1.588 0.607
207 HB THR 37 HB THR 37 -4.410 2.052 -1.391
208 HG1 THR 37 HG1 THR 37 -6.577 2.757 -0.161
209 HG21 THR 37 HG21 THR 37 -5.721 0.898 1.060
210 HG22 THR 37 HG22 THR 37 -4.544 0.043 0.071
211 HG23 THR 37 HG23 THR 37 -6.095 0.523 -0.618
212 H THR 38 HN THR 38 -1.193 2.192 -0.637
213 HA THR 38 HA THR 38 -1.199 4.924 -1.729
214 HB THR 38 HB THR 38 1.251 5.009 -1.459
215 HG1 THR 38 HG1 THR 38 2.040 3.033 -1.214
216 HG21 THR 38 HG21 THR 38 -0.192 6.030 0.228
217 HG22 THR 38 HG22 THR 38 1.271 5.371 0.960
218 HG23 THR 38 HG23 THR 38 -0.256 4.499 1.101
219 H TRP 39 HN TRP 39 -1.208 4.966 -3.871
220 HA TRP 39 HA TRP 39 -0.518 2.669 -5.431
221 HB2 TRP 39 HB2 TRP 39 -1.010 5.538 -6.257
222 HB3 TRP 39 HB1 TRP 39 -0.766 4.213 -7.387
223 HD1 TRP 39 HD1 TRP 39 -3.411 5.951 -5.421
224 HE1 TRP 39 HE1 TRP 39 -5.672 4.766 -5.746
225 HE3 TRP 39 HE3 TRP 39 -1.772 1.644 -7.678
226 HZ2 TRP 39 HZ2 TRP 39 -6.635 2.337 -6.808
227 HZ3 TRP 39 HZ3 TRP 39 -3.418 -0.042 -8.317
228 HH2 TRP 39 HH2 TRP 39 -5.809 0.286 -7.888
229 H GLU 40 HN GLU 40 1.241 5.182 -4.014
230 HA GLU 40 HA GLU 40 3.592 4.653 -5.686
231 HB2 GLU 40 HB2 GLU 40 3.150 6.779 -3.578
232 HB3 GLU 40 HB1 GLU 40 4.593 6.604 -4.566
233 HG2 GLU 40 HG2 GLU 40 3.111 6.932 -6.578
234 HG3 GLU 40 HG1 GLU 40 1.835 7.390 -5.450
235 H ASP 41 HN ASP 41 5.519 3.944 -4.744
236 HA ASP 41 HA ASP 41 5.227 2.066 -2.657
237 HB2 ASP 41 HB2 ASP 41 6.924 2.037 -4.564
238 HB3 ASP 41 HB1 ASP 41 7.847 3.208 -3.628
239 HA PRO 42 HA PRO 42 5.432 4.900 0.783
240 HB2 PRO 42 HB2 PRO 42 5.837 2.958 2.693
241 HB3 PRO 42 HB1 PRO 42 4.260 3.441 2.061
242 HG2 PRO 42 HG2 PRO 42 5.986 1.129 1.289
243 HG3 PRO 42 HG1 PRO 42 4.231 1.201 1.508
244 HD2 PRO 42 HD2 PRO 42 5.319 1.213 -0.930
245 HD3 PRO 42 HD1 PRO 42 3.881 2.187 -0.559
246 H ARG 43 HN ARG 43 7.991 2.868 -0.301
247 HA ARG 43 HA ARG 43 9.934 3.428 1.653
248 HB2 ARG 43 HB2 ARG 43 10.200 2.928 -1.310
249 HB3 ARG 43 HB1 ARG 43 11.589 3.140 -0.253
250 HG2 ARG 43 HG2 ARG 43 10.977 1.198 1.022
251 HG3 ARG 43 HG1 ARG 43 9.479 1.025 0.107
252 HD2 ARG 43 HD2 ARG 43 11.124 -0.552 -0.700
253 HD3 ARG 43 HD1 ARG 43 10.795 0.659 -1.938
254 HE ARG 43 HE ARG 43 13.021 1.440 -0.374
255 HH11 ARG 43 HH11 ARG 43 12.077 -0.784 -2.916
256 HH12 ARG 43 HH12 ARG 43 13.692 -0.951 -3.532
257 HH21 ARG 43 HH21 ARG 43 15.131 1.216 -1.179
258 HH22 ARG 43 HH22 ARG 43 15.435 0.182 -2.545
259 H LEU 44 HN LEU 44 8.459 5.441 -0.704
260 HA LEU 44 HA LEU 44 10.484 7.483 -0.633
261 HB2 LEU 44 HB2 LEU 44 7.628 7.591 -1.599
262 HB3 LEU 44 HB1 LEU 44 8.823 8.852 -1.832
263 HG LEU 44 HG LEU 44 8.965 6.064 -2.984
264 HD11 LEU 44 HD11 LEU 44 8.599 7.168 -5.126
265 HD12 LEU 44 HD12 LEU 44 8.422 8.718 -4.304
266 HD13 LEU 44 HD13 LEU 44 7.242 7.436 -4.030
267 HD21 LEU 44 HD21 LEU 44 11.179 6.948 -2.501
268 HD22 LEU 44 HD22 LEU 44 10.785 8.439 -3.356
269 HD23 LEU 44 HD23 LEU 44 10.886 6.916 -4.240
270 H LYS 45 HN LYS 45 8.105 6.450 1.503
271 HA LYS 45 HA LYS 45 7.667 9.093 2.674
272 HB2 LYS 45 HB2 LYS 45 6.494 6.375 3.143
273 HB3 LYS 45 HB1 LYS 45 6.312 7.635 4.355
274 HG2 LYS 45 HG2 LYS 45 5.474 7.961 1.483
275 HG3 LYS 45 HG1 LYS 45 4.397 7.389 2.759
276 HD2 LYS 45 HD2 LYS 45 3.907 9.612 2.858
277 HD3 LYS 45 HD1 LYS 45 5.284 9.591 3.958
278 HE2 LYS 45 HE2 LYS 45 5.659 11.412 2.519
279 HE3 LYS 45 HE1 LYS 45 6.720 10.130 1.936
280 HZ1 LYS 45 HZ1 LYS 45 5.243 9.670 0.155
281 HZ2 LYS 45 HZ2 LYS 45 5.468 11.347 0.175
282 HZ3 LYS 45 HZ3 LYS 45 4.037 10.677 0.792
283 H ILE 46 HN ILE 46 10.014 6.804 2.839
284 HA ILE 46 HA ILE 46 10.559 6.841 5.643
285 HB ILE 46 HB ILE 46 12.082 5.918 3.233
286 HG12 ILE 46 HG12 ILE 46 12.182 3.810 4.570
287 HG13 ILE 46 HG11 ILE 46 11.273 4.613 5.843
288 HG21 ILE 46 HG21 ILE 46 13.295 6.232 5.978
289 HG22 ILE 46 HG22 ILE 46 13.767 7.101 4.518
290 HG23 ILE 46 HG23 ILE 46 14.023 5.359 4.629
291 HD11 ILE 46 HD11 ILE 46 10.301 4.066 3.053
292 HD12 ILE 46 HD12 ILE 46 9.387 4.876 4.325
293 HD13 ILE 46 HD13 ILE 46 9.850 3.185 4.513
294 H THR 112 H THR 112 -11.983 4.649 -10.109
295 HA THR 112 HA THR 112 -9.810 3.658 -10.112
296 HB THR 112 HB THR 112 -8.923 6.002 -11.802
297 HG1 THR 112 HG1 THR 112 -9.630 4.904 -13.456
298 HG21 THR 112 HG21 THR 112 -6.875 4.663 -12.062
299 HG22 THR 112 HG22 THR 112 -7.552 3.436 -10.991
300 HG23 THR 112 HG23 THR 112 -7.200 5.048 -10.371
301 H ALA 113 HN ALA 113 -9.782 4.113 -7.985
302 HA ALA 113 HA ALA 113 -8.658 6.676 -7.172
303 HB1 ALA 113 HB1 ALA 113 -11.256 5.634 -6.037
304 HB2 ALA 113 HB2 ALA 113 -11.085 7.037 -7.091
305 HB3 ALA 113 HB3 ALA 113 -10.378 7.055 -5.474
306 HA PRO 114 HA PRO 114 -6.520 4.365 -3.977
307 HB2 PRO 114 HB2 PRO 114 -7.914 6.085 -1.978
308 HB3 PRO 114 HB1 PRO 114 -6.194 5.709 -2.133
309 HG2 PRO 114 HG2 PRO 114 -7.134 8.073 -2.903
310 HG3 PRO 114 HG1 PRO 114 -5.877 7.246 -3.839
311 HD2 PRO 114 HD2 PRO 114 -8.784 7.552 -4.426
312 HD3 PRO 114 HD1 PRO 114 -7.404 7.510 -5.541
313 HA PRO 115 HA PRO 115 -9.814 1.459 -3.178
314 HB2 PRO 115 HB2 PRO 115 -7.658 -0.051 -1.838
315 HB3 PRO 115 HB1 PRO 115 -8.713 -0.536 -3.169
316 HG2 PRO 115 HG2 PRO 115 -6.136 0.032 -3.577
317 HG3 PRO 115 HG1 PRO 115 -7.378 0.462 -4.768
318 HD2 PRO 115 HD2 PRO 115 -5.984 2.197 -2.766
319 HD3 PRO 115 HD1 PRO 115 -6.432 2.554 -4.448
320 H GLU 116 HN GLU 116 -11.176 1.309 -1.559
321 HA GLU 116 HA GLU 116 -10.722 2.480 0.966
322 HB2 GLU 116 HB2 GLU 116 -12.913 1.190 1.507
323 HB3 GLU 116 HB1 GLU 116 -12.951 2.483 0.315
324 HG2 GLU 116 HG2 GLU 116 -12.652 0.700 -1.446
325 HG3 GLU 116 HG1 GLU 116 -12.955 -0.478 -0.171
326 H TYR 117 HN TYR 117 -9.750 1.680 2.697
327 HA TYR 117 HA TYR 117 -8.760 -1.072 2.475
328 HB2 TYR 117 HB2 TYR 117 -7.176 0.925 2.567
329 HB3 TYR 117 HB1 TYR 117 -7.676 1.126 4.236
330 HD1 TYR 117 HD2 TYR 117 -7.828 -1.982 4.753
331 HD2 TYR 117 HD1 TYR 117 -4.876 0.586 3.108
332 HE1 TYR 117 HE2 TYR 117 -6.078 -3.539 5.478
333 HE2 TYR 117 HE1 TYR 117 -3.125 -0.965 3.825
334 HH TYR 117 HH TYR 117 -2.805 -2.694 5.515
335 H MET 118 HN MET 118 -9.637 -2.546 3.764
336 HA MET 118 HA MET 118 -9.551 -1.995 6.589
337 HB2 MET 118 HB2 MET 118 -11.798 -2.973 7.052
338 HB3 MET 118 HB1 MET 118 -11.877 -1.437 6.204
339 HG2 MET 118 HG2 MET 118 -12.354 -2.562 4.125
340 HG3 MET 118 HG1 MET 118 -12.159 -4.135 4.898
341 HE1 MET 118 HE1 MET 118 -15.994 -4.071 4.216
342 HE2 MET 118 HE2 MET 118 -14.506 -5.008 4.079
343 HE3 MET 118 HE3 MET 118 -14.683 -3.499 3.184
344 H GLU 119 HN GLU 119 -7.989 -3.412 6.887
345 HA GLU 119 HA GLU 119 -8.617 -6.253 6.531
346 HB2 GLU 119 HB2 GLU 119 -6.059 -4.866 5.721
347 HB3 GLU 119 HB1 GLU 119 -6.127 -6.592 6.042
348 HG2 GLU 119 HG2 GLU 119 -7.763 -6.873 4.260
349 HG3 GLU 119 HG1 GLU 119 -7.725 -5.139 3.946
350 H ALA 120 HN ALA 120 -8.194 -7.428 8.288
351 HA ALA 120 HA ALA 120 -7.636 -8.009 10.398
352 HB1 ALA 120 HB1 ALA 120 -5.421 -5.980 10.126
353 HB2 ALA 120 HB2 ALA 120 -5.322 -7.677 9.657
354 HB3 ALA 120 HB3 ALA 120 -5.539 -7.242 11.352
Start of MODEL 15
1 H PHE 12 H PHE 12 11.701 -6.682 0.899
2 HA PHE 12 HA PHE 12 11.873 -5.871 3.056
3 HB2 PHE 12 HB2 PHE 12 13.419 -4.120 3.723
4 HB3 PHE 12 HB1 PHE 12 14.312 -5.461 3.022
5 HD1 PHE 12 HD2 PHE 12 15.204 -5.235 0.684
6 HD2 PHE 12 HD1 PHE 12 13.577 -1.949 2.847
7 HE1 PHE 12 HE2 PHE 12 16.338 -3.672 -0.838
8 HE2 PHE 12 HE1 PHE 12 14.712 -0.383 1.329
9 HZ PHE 12 HZ PHE 12 16.096 -1.245 -0.517
10 H LEU 13 HN LEU 13 10.294 -4.505 3.606
11 HA LEU 13 HA LEU 13 9.587 -2.389 1.683
12 HB2 LEU 13 HB2 LEU 13 7.729 -4.168 3.277
13 HB3 LEU 13 HB1 LEU 13 7.213 -2.770 2.358
14 HG LEU 13 HG LEU 13 8.536 -5.200 1.145
15 HD11 LEU 13 HD11 LEU 13 5.639 -4.367 1.201
16 HD12 LEU 13 HD12 LEU 13 6.342 -5.758 2.027
17 HD13 LEU 13 HD13 LEU 13 6.305 -5.705 0.265
18 HD21 LEU 13 HD21 LEU 13 7.805 -4.211 -0.975
19 HD22 LEU 13 HD22 LEU 13 8.917 -3.146 -0.116
20 HD23 LEU 13 HD23 LEU 13 7.187 -2.806 -0.105
21 HA PRO 14 HA PRO 14 9.172 0.733 4.925
22 HB2 PRO 14 HB2 PRO 14 6.244 0.512 4.326
23 HB3 PRO 14 HB1 PRO 14 7.221 1.959 4.570
24 HG2 PRO 14 HG2 PRO 14 6.594 1.220 2.124
25 HG3 PRO 14 HG1 PRO 14 8.239 1.780 2.479
26 HD2 PRO 14 HD2 PRO 14 7.247 -0.975 1.977
27 HD3 PRO 14 HD1 PRO 14 8.817 -0.252 1.591
28 H LYS 15 HN LYS 15 7.570 -2.289 5.097
29 HA LYS 15 HA LYS 15 7.118 -3.667 6.823
30 HB2 LYS 15 HB2 LYS 15 8.220 -1.434 8.531
31 HB3 LYS 15 HB1 LYS 15 7.765 -3.021 9.141
32 HG2 LYS 15 HG2 LYS 15 9.439 -4.083 7.788
33 HG3 LYS 15 HG1 LYS 15 9.832 -2.552 7.004
34 HD2 LYS 15 HD2 LYS 15 10.506 -1.669 9.239
35 HD3 LYS 15 HD1 LYS 15 10.268 -3.291 9.895
36 HE2 LYS 15 HE2 LYS 15 12.629 -2.813 9.326
37 HE3 LYS 15 HE1 LYS 15 11.964 -4.182 8.432
38 HZ1 LYS 15 HZ1 LYS 15 11.666 -2.780 6.518
39 HZ2 LYS 15 HZ2 LYS 15 13.278 -2.675 7.026
40 HZ3 LYS 15 HZ3 LYS 15 12.194 -1.414 7.371
41 H GLY 16 HN GLY 16 5.137 -4.160 7.198
42 HA2 GLY 16 HA2 GLY 16 3.070 -3.923 8.365
43 HA3 GLY 16 HA1 GLY 16 3.345 -2.185 8.445
44 H TRP 17 HN TRP 17 4.264 -2.973 5.463
45 HA TRP 17 HA TRP 17 1.626 -2.362 4.319
46 HB2 TRP 17 HB2 TRP 17 4.391 -1.782 3.238
47 HB3 TRP 17 HB1 TRP 17 2.901 -1.460 2.371
48 HD1 TRP 17 HD1 TRP 17 4.882 -0.285 5.421
49 HE1 TRP 17 HE1 TRP 17 4.172 2.128 5.972
50 HE3 TRP 17 HE3 TRP 17 0.942 0.219 2.119
51 HZ2 TRP 17 HZ2 TRP 17 2.248 4.000 5.116
52 HZ3 TRP 17 HZ3 TRP 17 -0.222 2.358 2.050
53 HH2 TRP 17 HH2 TRP 17 0.389 4.207 3.524
54 H GLU 18 HN GLU 18 0.694 -3.924 3.287
55 HA GLU 18 HA GLU 18 2.183 -6.173 2.184
56 HB2 GLU 18 HB2 GLU 18 -0.779 -5.542 2.334
57 HB3 GLU 18 HB1 GLU 18 -0.122 -7.014 1.643
58 HG2 GLU 18 HG2 GLU 18 0.200 -6.136 4.501
59 HG3 GLU 18 HG1 GLU 18 -0.960 -7.328 3.921
60 H VAL 19 HN VAL 19 2.203 -6.636 -0.069
61 HA VAL 19 HA VAL 19 1.355 -4.382 -1.749
62 HB VAL 19 HB VAL 19 3.715 -5.039 -2.007
63 HG11 VAL 19 HG11 VAL 19 2.645 -7.667 -3.019
64 HG12 VAL 19 HG12 VAL 19 3.546 -7.418 -1.523
65 HG13 VAL 19 HG13 VAL 19 4.328 -7.143 -3.081
66 HG21 VAL 19 HG21 VAL 19 3.730 -5.202 -4.450
67 HG22 VAL 19 HG22 VAL 19 2.554 -4.021 -3.873
68 HG23 VAL 19 HG23 VAL 19 2.013 -5.607 -4.426
69 H ARG 20 HN ARG 20 -0.511 -4.563 -2.790
70 HA ARG 20 HA ARG 20 -1.428 -7.274 -3.492
71 HB2 ARG 20 HB2 ARG 20 -2.745 -6.147 -1.648
72 HB3 ARG 20 HB1 ARG 20 -3.246 -4.950 -2.838
73 HG2 ARG 20 HG2 ARG 20 -4.297 -6.688 -4.173
74 HG3 ARG 20 HG1 ARG 20 -3.754 -7.913 -3.028
75 HD2 ARG 20 HD2 ARG 20 -5.709 -5.678 -2.497
76 HD3 ARG 20 HD1 ARG 20 -6.085 -7.391 -2.645
77 HE ARG 20 HE ARG 20 -5.311 -6.065 -0.298
78 HH11 ARG 20 HH11 ARG 20 -4.591 -9.049 -2.006
79 HH12 ARG 20 HH12 ARG 20 -4.190 -9.920 -0.561
80 HH21 ARG 20 HH21 ARG 20 -4.841 -7.213 1.589
81 HH22 ARG 20 HH22 ARG 20 -4.325 -8.877 1.481
82 H HIS 21 HN HIS 21 -1.847 -7.622 -5.566
83 HA HIS 21 HA HIS 21 -1.567 -5.370 -7.403
84 HB2 HIS 21 HB2 HIS 21 -0.416 -7.805 -7.467
85 HB3 HIS 21 HB1 HIS 21 -1.856 -8.140 -8.424
86 HD1 HIS 21 HD1 HIS 21 -1.894 -7.290 -10.796
87 HD2 HIS 21 HD2 HIS 21 1.311 -5.847 -8.588
88 HE1 HIS 21 HE1 HIS 21 -0.423 -6.089 -12.442
89 HE2 HIS 21 HE2 HIS 21 1.650 -5.520 -11.127
90 H ALA 22 HN ALA 22 -3.294 -4.460 -8.292
91 HA ALA 22 HA ALA 22 -5.853 -5.911 -8.251
92 HB1 ALA 22 HB1 ALA 22 -5.255 -2.960 -8.543
93 HB2 ALA 22 HB2 ALA 22 -5.878 -3.767 -7.107
94 HB3 ALA 22 HB3 ALA 22 -6.867 -3.671 -8.559
95 HA PRO 23 HA PRO 23 -6.157 -6.211 -12.687
96 HB2 PRO 23 HB2 PRO 23 -8.719 -4.739 -12.702
97 HB3 PRO 23 HB1 PRO 23 -8.366 -6.393 -13.213
98 HG2 PRO 23 HG2 PRO 23 -9.720 -5.908 -10.963
99 HG3 PRO 23 HG1 PRO 23 -8.549 -7.238 -11.062
100 HD2 PRO 23 HD2 PRO 23 -8.237 -4.521 -9.830
101 HD3 PRO 23 HD1 PRO 23 -7.711 -6.102 -9.214
102 H ASN 24 HN ASN 24 -5.824 -3.266 -11.227
103 HA ASN 24 HA ASN 24 -5.944 -1.597 -13.566
104 HB2 ASN 24 HB2 ASN 24 -4.766 0.052 -11.988
105 HB3 ASN 24 HB1 ASN 24 -6.431 -0.397 -11.638
106 HD21 ASN 24 HD21 ASN 24 -6.273 0.056 -9.474
107 HD22 ASN 24 HD22 ASN 24 -5.343 -0.913 -8.385
108 H GLY 25 HN GLY 25 -3.950 -3.997 -12.791
109 HA2 GLY 25 HA2 GLY 25 -1.838 -4.602 -13.495
110 HA3 GLY 25 HA1 GLY 25 -1.851 -3.177 -14.532
111 H ARG 26 HN ARG 26 -2.517 -2.790 -11.231
112 HA ARG 26 HA ARG 26 0.067 -1.459 -10.836
113 HB2 ARG 26 HB2 ARG 26 -1.447 0.294 -11.235
114 HB3 ARG 26 HB1 ARG 26 -2.766 -0.502 -10.385
115 HG2 ARG 26 HG2 ARG 26 -2.089 1.245 -9.003
116 HG3 ARG 26 HG1 ARG 26 -1.272 -0.161 -8.315
117 HD2 ARG 26 HD2 ARG 26 0.596 0.646 -10.069
118 HD3 ARG 26 HD1 ARG 26 -0.161 2.197 -9.698
119 HE ARG 26 HE ARG 26 0.298 0.892 -7.290
120 HH11 ARG 26 HH11 ARG 26 2.071 2.454 -9.866
121 HH12 ARG 26 HH12 ARG 26 3.522 2.656 -8.922
122 HH21 ARG 26 HH21 ARG 26 2.218 1.112 -6.059
123 HH22 ARG 26 HH22 ARG 26 3.596 1.902 -6.759
124 HA PRO 27 HA PRO 27 -0.295 -3.603 -6.850
125 HB2 PRO 27 HB2 PRO 27 2.362 -2.890 -6.180
126 HB3 PRO 27 HB1 PRO 27 1.817 -4.433 -6.823
127 HG2 PRO 27 HG2 PRO 27 3.469 -2.600 -8.134
128 HG3 PRO 27 HG1 PRO 27 2.618 -3.956 -8.890
129 HD2 PRO 27 HD2 PRO 27 1.905 -1.062 -8.831
130 HD3 PRO 27 HD1 PRO 27 1.629 -2.281 -10.095
131 H PHE 28 HN PHE 28 -1.448 -2.451 -5.398
132 HA PHE 28 HA PHE 28 -0.487 0.210 -4.662
133 HB2 PHE 28 HB2 PHE 28 -2.661 0.566 -3.616
134 HB3 PHE 28 HB1 PHE 28 -2.848 0.064 -5.287
135 HD1 PHE 28 HD1 PHE 28 -3.485 -2.363 -5.734
136 HD2 PHE 28 HD2 PHE 28 -3.725 -0.553 -1.892
137 HE1 PHE 28 HE1 PHE 28 -5.070 -4.100 -5.009
138 HE2 PHE 28 HE2 PHE 28 -5.304 -2.290 -1.167
139 HZ PHE 28 HZ PHE 28 -5.980 -4.065 -2.730
140 H PHE 29 HN PHE 29 0.077 0.749 -2.595
141 HA PHE 29 HA PHE 29 1.029 -1.498 -0.999
142 HB2 PHE 29 HB2 PHE 29 1.518 1.479 -0.758
143 HB3 PHE 29 HB1 PHE 29 2.344 0.234 0.170
144 HD1 PHE 29 HD1 PHE 29 3.831 -1.387 -1.037
145 HD2 PHE 29 HD2 PHE 29 2.170 2.051 -2.923
146 HE1 PHE 29 HE1 PHE 29 5.477 -1.600 -2.855
147 HE2 PHE 29 HE2 PHE 29 3.817 1.842 -4.746
148 HZ PHE 29 HZ PHE 29 5.464 0.011 -4.715
149 H ILE 30 HN ILE 30 0.353 -1.924 1.097
150 HA ILE 30 HA ILE 30 -1.709 -0.147 2.092
151 HB ILE 30 HB ILE 30 -3.033 -2.290 2.740
152 HG12 ILE 30 HG12 ILE 30 -1.246 -3.314 0.532
153 HG13 ILE 30 HG11 ILE 30 -1.369 -3.933 2.175
154 HG21 ILE 30 HG21 ILE 30 -2.901 -1.407 -0.140
155 HG22 ILE 30 HG22 ILE 30 -3.833 -0.626 1.139
156 HG23 ILE 30 HG23 ILE 30 -4.242 -2.263 0.625
157 HD11 ILE 30 HD11 ILE 30 -3.651 -4.669 1.720
158 HD12 ILE 30 HD12 ILE 30 -2.492 -5.389 0.601
159 HD13 ILE 30 HD13 ILE 30 -3.517 -4.054 0.073
160 H ASP 31 HN ASP 31 -1.443 0.445 4.041
161 HA ASP 31 HA ASP 31 0.292 -1.054 5.837
162 HB2 ASP 31 HB2 ASP 31 0.943 1.012 6.404
163 HB3 ASP 31 HB1 ASP 31 -0.326 1.717 5.411
164 H HIS 32 HN HIS 32 -0.408 -2.205 7.506
165 HA HIS 32 HA HIS 32 -3.299 -2.429 7.801
166 HB2 HIS 32 HB2 HIS 32 -1.007 -4.232 8.494
167 HB3 HIS 32 HB1 HIS 32 -2.606 -4.501 9.181
168 HD1 HIS 32 HD1 HIS 32 -4.080 -5.957 7.851
169 HD2 HIS 32 HD2 HIS 32 -1.152 -4.163 5.505
170 HE1 HIS 32 HE1 HIS 32 -4.397 -6.888 5.535
171 HE2 HIS 32 HE2 HIS 32 -2.821 -5.557 4.102
172 H ASN 33 HN ASN 33 -0.879 -0.766 9.399
173 HA ASN 33 HA ASN 33 -2.077 -1.280 12.030
174 HB2 ASN 33 HB2 ASN 33 -0.138 -0.276 13.046
175 HB3 ASN 33 HB1 ASN 33 0.389 -1.464 11.870
176 HD21 ASN 33 HD21 ASN 33 1.487 -0.792 10.032
177 HD22 ASN 33 HD22 ASN 33 2.098 0.808 9.851
178 H THR 34 HN THR 34 -1.978 1.035 9.535
179 HA THR 34 HA THR 34 -3.474 2.881 11.279
180 HB THR 34 HB THR 34 -1.993 3.804 8.831
181 HG1 THR 34 HG1 THR 34 -0.431 2.807 10.140
182 HG21 THR 34 HG21 THR 34 -3.613 5.331 9.862
183 HG22 THR 34 HG22 THR 34 -1.965 5.933 10.041
184 HG23 THR 34 HG23 THR 34 -2.779 5.170 11.408
185 H LYS 35 HN LYS 35 -3.694 0.764 8.724
186 HA LYS 35 HA LYS 35 -5.201 0.297 7.116
187 HB2 LYS 35 HB2 LYS 35 -6.975 2.210 8.648
188 HB3 LYS 35 HB1 LYS 35 -7.511 1.046 7.447
189 HG2 LYS 35 HG2 LYS 35 -6.241 0.391 10.100
190 HG3 LYS 35 HG1 LYS 35 -7.954 0.261 9.706
191 HD2 LYS 35 HD2 LYS 35 -7.391 -1.411 7.972
192 HD3 LYS 35 HD1 LYS 35 -5.698 -1.314 8.460
193 HE2 LYS 35 HE2 LYS 35 -7.995 -2.168 10.227
194 HE3 LYS 35 HE1 LYS 35 -6.833 -3.248 9.458
195 HZ1 LYS 35 HZ1 LYS 35 -5.078 -2.314 10.761
196 HZ2 LYS 35 HZ2 LYS 35 -6.336 -2.753 11.812
197 HZ3 LYS 35 HZ3 LYS 35 -6.100 -1.125 11.404
198 H THR 36 HN THR 36 -3.362 1.983 6.212
199 HA THR 36 HA THR 36 -4.929 3.879 4.576
200 HB THR 36 HB THR 36 -2.070 4.271 5.497
201 HG1 THR 36 HG1 THR 36 -3.503 4.508 7.239
202 HG21 THR 36 HG21 THR 36 -3.979 6.145 4.093
203 HG22 THR 36 HG22 THR 36 -2.577 5.364 3.364
204 HG23 THR 36 HG23 THR 36 -2.355 6.552 4.648
205 H THR 37 HN THR 37 -4.497 3.937 2.406
206 HA THR 37 HA THR 37 -2.533 1.988 1.407
207 HB THR 37 HB THR 37 -4.851 1.289 0.941
208 HG1 THR 37 HG1 THR 37 -3.144 0.835 -0.582
209 HG21 THR 37 HG21 THR 37 -5.021 3.857 -0.642
210 HG22 THR 37 HG22 THR 37 -5.923 3.474 0.826
211 HG23 THR 37 HG23 THR 37 -6.220 2.564 -0.656
212 H THR 38 HN THR 38 -1.383 2.529 -0.501
213 HA THR 38 HA THR 38 -1.531 5.272 -1.448
214 HB THR 38 HB THR 38 -0.037 5.375 0.525
215 HG1 THR 38 HG1 THR 38 0.376 6.504 -1.696
216 HG21 THR 38 HG21 THR 38 2.144 4.279 0.472
217 HG22 THR 38 HG22 THR 38 1.713 3.486 -1.043
218 HG23 THR 38 HG23 THR 38 0.835 3.096 0.436
219 H TRP 39 HN TRP 39 -0.701 5.552 -3.519
220 HA TRP 39 HA TRP 39 0.027 3.064 -4.900
221 HB2 TRP 39 HB2 TRP 39 -0.751 5.719 -6.131
222 HB3 TRP 39 HB1 TRP 39 -0.572 4.179 -6.967
223 HD1 TRP 39 HD1 TRP 39 -2.947 6.080 -4.657
224 HE1 TRP 39 HE1 TRP 39 -5.237 4.923 -4.670
225 HE3 TRP 39 HE3 TRP 39 -1.745 1.869 -7.393
226 HZ2 TRP 39 HZ2 TRP 39 -6.395 2.579 -5.684
227 HZ3 TRP 39 HZ3 TRP 39 -3.540 0.248 -7.813
228 HH2 TRP 39 HH2 TRP 39 -5.805 0.587 -6.985
229 H GLU 40 HN GLU 40 1.308 5.890 -3.636
230 HA GLU 40 HA GLU 40 3.759 5.603 -5.206
231 HB2 GLU 40 HB2 GLU 40 4.485 7.665 -3.938
232 HB3 GLU 40 HB1 GLU 40 3.129 7.890 -5.029
233 HG2 GLU 40 HG2 GLU 40 2.640 7.330 -2.139
234 HG3 GLU 40 HG1 GLU 40 3.097 8.947 -2.661
235 H ASP 41 HN ASP 41 5.345 4.404 -4.447
236 HA ASP 41 HA ASP 41 5.181 2.718 -2.298
237 HB2 ASP 41 HB2 ASP 41 6.838 2.628 -4.209
238 HB3 ASP 41 HB1 ASP 41 7.792 3.827 -3.345
239 HA PRO 42 HA PRO 42 5.497 5.486 1.182
240 HB2 PRO 42 HB2 PRO 42 6.073 2.964 2.627
241 HB3 PRO 42 HB1 PRO 42 4.854 4.201 2.953
242 HG2 PRO 42 HG2 PRO 42 4.178 1.846 1.886
243 HG3 PRO 42 HG1 PRO 42 3.376 3.344 1.389
244 HD2 PRO 42 HD2 PRO 42 5.449 1.742 -0.023
245 HD3 PRO 42 HD1 PRO 42 4.069 2.636 -0.688
246 H ARG 43 HN ARG 43 7.971 3.310 0.086
247 HA ARG 43 HA ARG 43 9.989 3.974 1.960
248 HB2 ARG 43 HB2 ARG 43 10.136 3.048 -0.906
249 HB3 ARG 43 HB1 ARG 43 11.560 3.286 0.095
250 HG2 ARG 43 HG2 ARG 43 10.867 1.561 1.603
251 HG3 ARG 43 HG1 ARG 43 9.308 1.408 0.788
252 HD2 ARG 43 HD2 ARG 43 10.922 -0.363 0.165
253 HD3 ARG 43 HD1 ARG 43 10.371 0.597 -1.206
254 HE ARG 43 HE ARG 43 12.780 1.648 -0.135
255 HH11 ARG 43 HH11 ARG 43 11.528 -0.950 -2.117
256 HH12 ARG 43 HH12 ARG 43 13.021 -1.173 -2.988
257 HH21 ARG 43 HH21 ARG 43 14.720 1.384 -1.289
258 HH22 ARG 43 HH22 ARG 43 14.837 0.151 -2.511
259 H LEU 44 HN LEU 44 8.616 5.676 -0.700
260 HA LEU 44 HA LEU 44 10.772 7.566 -0.982
261 HB2 LEU 44 HB2 LEU 44 7.918 7.728 -1.957
262 HB3 LEU 44 HB1 LEU 44 9.236 8.766 -2.464
263 HG LEU 44 HG LEU 44 9.101 5.790 -2.958
264 HD11 LEU 44 HD11 LEU 44 8.688 6.399 -5.289
265 HD12 LEU 44 HD12 LEU 44 8.621 8.101 -4.833
266 HD13 LEU 44 HD13 LEU 44 7.401 6.978 -4.231
267 HD21 LEU 44 HD21 LEU 44 11.384 6.624 -2.785
268 HD22 LEU 44 HD22 LEU 44 11.022 7.889 -3.960
269 HD23 LEU 44 HD23 LEU 44 10.996 6.195 -4.451
270 H LYS 45 HN LYS 45 8.393 7.094 1.314
271 HA LYS 45 HA LYS 45 8.269 9.959 1.979
272 HB2 LYS 45 HB2 LYS 45 6.297 7.735 2.368
273 HB3 LYS 45 HB1 LYS 45 6.263 9.127 3.437
274 HG2 LYS 45 HG2 LYS 45 4.679 9.551 1.751
275 HG3 LYS 45 HG1 LYS 45 6.072 10.564 1.380
276 HD2 LYS 45 HD2 LYS 45 5.314 9.617 -0.666
277 HD3 LYS 45 HD1 LYS 45 6.816 8.802 -0.236
278 HE2 LYS 45 HE2 LYS 45 5.203 7.192 -1.045
279 HE3 LYS 45 HE1 LYS 45 5.512 6.921 0.667
280 HZ1 LYS 45 HZ1 LYS 45 3.221 8.563 -0.225
281 HZ2 LYS 45 HZ2 LYS 45 3.440 7.766 1.256
282 HZ3 LYS 45 HZ3 LYS 45 3.107 6.872 -0.148
283 H ILE 46 HN ILE 46 9.661 7.064 2.917
284 HA ILE 46 HA ILE 46 10.555 8.216 5.392
285 HB ILE 46 HB ILE 46 8.523 7.262 6.235
286 HG12 ILE 46 HG12 ILE 46 10.840 5.441 6.924
287 HG13 ILE 46 HG11 ILE 46 10.542 7.027 7.630
288 HG21 ILE 46 HG21 ILE 46 9.369 4.657 4.980
289 HG22 ILE 46 HG22 ILE 46 8.025 5.680 4.469
290 HG23 ILE 46 HG23 ILE 46 7.978 4.881 6.041
291 HD11 ILE 46 HD11 ILE 46 8.731 4.636 7.864
292 HD12 ILE 46 HD12 ILE 46 8.463 6.219 8.595
293 HD13 ILE 46 HD13 ILE 46 9.829 5.231 9.108
294 H THR 112 H THR 112 -9.302 4.078 -12.633
295 HA THR 112 HA THR 112 -8.179 2.613 -11.139
296 HB THR 112 HB THR 112 -5.872 3.100 -11.904
297 HG1 THR 112 HG1 THR 112 -5.069 3.395 -9.547
298 HG21 THR 112 HG21 THR 112 -6.176 5.639 -10.301
299 HG22 THR 112 HG22 THR 112 -6.013 5.530 -12.054
300 HG23 THR 112 HG23 THR 112 -4.675 5.043 -11.012
301 H ALA 113 HN ALA 113 -8.484 2.854 -8.893
302 HA ALA 113 HA ALA 113 -9.042 5.521 -7.847
303 HB1 ALA 113 HB1 ALA 113 -11.187 4.797 -8.782
304 HB2 ALA 113 HB2 ALA 113 -11.255 4.896 -7.022
305 HB3 ALA 113 HB3 ALA 113 -11.114 3.325 -7.813
306 HA PRO 114 HA PRO 114 -7.026 3.766 -4.289
307 HB2 PRO 114 HB2 PRO 114 -8.698 5.695 -2.776
308 HB3 PRO 114 HB1 PRO 114 -6.944 5.496 -2.788
309 HG2 PRO 114 HG2 PRO 114 -8.089 7.563 -4.021
310 HG3 PRO 114 HG1 PRO 114 -6.682 6.743 -4.724
311 HD2 PRO 114 HD2 PRO 114 -9.570 6.522 -5.466
312 HD3 PRO 114 HD1 PRO 114 -8.138 6.553 -6.515
313 HA PRO 115 HA PRO 115 -10.293 0.944 -3.111
314 HB2 PRO 115 HB2 PRO 115 -8.229 -0.434 -1.569
315 HB3 PRO 115 HB1 PRO 115 -9.116 -0.988 -2.991
316 HG2 PRO 115 HG2 PRO 115 -6.488 -0.380 -3.072
317 HG3 PRO 115 HG1 PRO 115 -7.566 -0.132 -4.456
318 HD2 PRO 115 HD2 PRO 115 -6.557 1.861 -2.462
319 HD3 PRO 115 HD1 PRO 115 -6.715 2.016 -4.223
320 H GLU 116 HN GLU 116 -11.655 0.956 -1.461
321 HA GLU 116 HA GLU 116 -11.355 2.477 0.862
322 HB2 GLU 116 HB2 GLU 116 -13.354 1.177 1.663
323 HB3 GLU 116 HB1 GLU 116 -13.551 1.894 0.070
324 HG2 GLU 116 HG2 GLU 116 -12.865 -0.361 -0.869
325 HG3 GLU 116 HG1 GLU 116 -13.063 -0.986 0.764
326 H TYR 117 HN TYR 117 -10.172 2.104 2.676
327 HA TYR 117 HA TYR 117 -8.921 -0.529 2.852
328 HB2 TYR 117 HB2 TYR 117 -7.604 1.753 2.873
329 HB3 TYR 117 HB1 TYR 117 -8.056 1.756 4.578
330 HD1 TYR 117 HD1 TYR 117 -7.887 -1.042 5.331
331 HD2 TYR 117 HD2 TYR 117 -5.342 1.218 2.791
332 HE1 TYR 117 HE1 TYR 117 -6.061 -2.607 5.792
333 HE2 TYR 117 HE2 TYR 117 -3.504 -0.344 3.254
334 HH TYR 117 HH TYR 117 -3.919 -3.323 4.417
335 H MET 118 HN MET 118 -9.637 -1.948 4.230
336 HA MET 118 HA MET 118 -9.598 -1.390 6.981
337 HB2 MET 118 HB2 MET 118 -11.953 -2.068 7.520
338 HB3 MET 118 HB1 MET 118 -11.824 -0.506 6.731
339 HG2 MET 118 HG2 MET 118 -12.428 -1.591 4.589
340 HG3 MET 118 HG1 MET 118 -12.672 -3.101 5.468
341 HE1 MET 118 HE1 MET 118 -15.616 -2.084 7.892
342 HE2 MET 118 HE2 MET 118 -13.886 -1.957 8.211
343 HE3 MET 118 HE3 MET 118 -14.532 -3.384 7.401
344 H GLU 119 HN GLU 119 -8.035 -3.002 5.915
345 HA GLU 119 HA GLU 119 -9.056 -5.701 5.663
346 HB2 GLU 119 HB2 GLU 119 -6.199 -4.710 5.704
347 HB3 GLU 119 HB1 GLU 119 -6.717 -6.333 5.284
348 HG2 GLU 119 HG2 GLU 119 -7.866 -5.457 3.313
349 HG3 GLU 119 HG1 GLU 119 -7.350 -3.824 3.747
350 H ALA 120 HN ALA 120 -9.562 -6.761 7.450
351 HA ALA 120 HA ALA 120 -9.505 -7.643 9.540
352 HB1 ALA 120 HB1 ALA 120 -7.606 -8.783 8.522
353 HB2 ALA 120 HB2 ALA 120 -7.348 -8.521 10.247
354 HB3 ALA 120 HB3 ALA 120 -6.533 -7.494 9.068
Start of MODEL 16
1 H PHE 12 H PHE 12 12.648 -7.097 0.358
2 HA PHE 12 HA PHE 12 11.846 -5.761 2.222
3 HB2 PHE 12 HB2 PHE 12 14.109 -5.385 1.419
4 HB3 PHE 12 HB1 PHE 12 13.518 -4.322 0.147
5 HD1 PHE 12 HD1 PHE 12 13.047 -4.581 3.849
6 HD2 PHE 12 HD2 PHE 12 13.991 -2.118 0.513
7 HE1 PHE 12 HE1 PHE 12 13.299 -2.650 5.353
8 HE2 PHE 12 HE2 PHE 12 14.246 -0.181 2.009
9 HZ PHE 12 HZ PHE 12 13.899 -0.447 4.432
10 H LEU 13 HN LEU 13 10.035 -4.786 2.755
11 HA LEU 13 HA LEU 13 8.999 -2.689 0.964
12 HB2 LEU 13 HB2 LEU 13 7.467 -4.541 2.800
13 HB3 LEU 13 HB1 LEU 13 6.761 -3.202 1.917
14 HG LEU 13 HG LEU 13 8.131 -5.536 0.579
15 HD11 LEU 13 HD11 LEU 13 5.190 -5.031 0.995
16 HD12 LEU 13 HD12 LEU 13 6.142 -6.305 1.757
17 HD13 LEU 13 HD13 LEU 13 5.889 -6.318 0.011
18 HD21 LEU 13 HD21 LEU 13 6.395 -3.305 -0.473
19 HD22 LEU 13 HD22 LEU 13 6.986 -4.672 -1.419
20 HD23 LEU 13 HD23 LEU 13 8.126 -3.505 -0.746
21 HA PRO 14 HA PRO 14 9.478 0.671 3.663
22 HB2 PRO 14 HB2 PRO 14 6.626 0.919 4.213
23 HB3 PRO 14 HB1 PRO 14 7.673 1.967 3.264
24 HG2 PRO 14 HG2 PRO 14 5.897 -0.176 2.361
25 HG3 PRO 14 HG1 PRO 14 6.620 1.148 1.434
26 HD2 PRO 14 HD2 PRO 14 7.383 -1.413 1.109
27 HD3 PRO 14 HD1 PRO 14 8.533 -0.064 0.966
28 H LYS 15 HN LYS 15 6.584 -0.905 5.049
29 HA LYS 15 HA LYS 15 7.713 -2.031 7.291
30 HB2 LYS 15 HB2 LYS 15 7.273 -0.399 9.064
31 HB3 LYS 15 HB1 LYS 15 8.459 0.217 7.923
32 HG2 LYS 15 HG2 LYS 15 6.741 1.591 6.866
33 HG3 LYS 15 HG1 LYS 15 5.542 0.965 8.003
34 HD2 LYS 15 HD2 LYS 15 6.972 1.852 9.855
35 HD3 LYS 15 HD1 LYS 15 7.963 2.628 8.621
36 HE2 LYS 15 HE2 LYS 15 6.406 4.254 9.434
37 HE3 LYS 15 HE1 LYS 15 5.905 3.793 7.808
38 HZ1 LYS 15 HZ1 LYS 15 4.040 3.914 9.393
39 HZ2 LYS 15 HZ2 LYS 15 4.752 2.682 10.314
40 HZ3 LYS 15 HZ3 LYS 15 4.220 2.363 8.737
41 H GLY 16 HN GLY 16 6.184 -3.524 7.281
42 HA2 GLY 16 HA2 GLY 16 4.132 -4.488 7.714
43 HA3 GLY 16 HA1 GLY 16 3.632 -2.928 8.347
44 H TRP 17 HN TRP 17 4.760 -2.899 5.110
45 HA TRP 17 HA TRP 17 2.015 -2.481 4.190
46 HB2 TRP 17 HB2 TRP 17 4.669 -1.876 2.870
47 HB3 TRP 17 HB1 TRP 17 3.119 -1.640 2.084
48 HD1 TRP 17 HD1 TRP 17 5.251 -0.271 4.946
49 HE1 TRP 17 HE1 TRP 17 4.523 2.146 5.440
50 HE3 TRP 17 HE3 TRP 17 1.095 0.025 1.885
51 HZ2 TRP 17 HZ2 TRP 17 2.515 3.937 4.648
52 HZ3 TRP 17 HZ3 TRP 17 -0.113 2.139 1.815
53 HH2 TRP 17 HH2 TRP 17 0.557 4.052 3.175
54 H GLU 18 HN GLU 18 1.005 -3.867 2.956
55 HA GLU 18 HA GLU 18 2.444 -6.203 1.895
56 HB2 GLU 18 HB2 GLU 18 0.577 -6.625 3.476
57 HB3 GLU 18 HB1 GLU 18 -0.505 -5.760 2.407
58 HG2 GLU 18 HG2 GLU 18 -0.819 -8.113 2.150
59 HG3 GLU 18 HG1 GLU 18 -0.131 -7.432 0.676
60 H VAL 19 HN VAL 19 2.291 -6.663 -0.324
61 HA VAL 19 HA VAL 19 1.184 -4.466 -1.917
62 HB VAL 19 HB VAL 19 2.527 -5.522 -3.815
63 HG11 VAL 19 HG11 VAL 19 3.166 -3.451 -2.721
64 HG12 VAL 19 HG12 VAL 19 4.591 -4.418 -3.098
65 HG13 VAL 19 HG13 VAL 19 3.979 -4.358 -1.445
66 HG21 VAL 19 HG21 VAL 19 3.866 -6.908 -1.492
67 HG22 VAL 19 HG22 VAL 19 4.474 -6.852 -3.147
68 HG23 VAL 19 HG23 VAL 19 2.963 -7.692 -2.791
69 H ARG 20 HN ARG 20 -0.922 -4.926 -2.209
70 HA ARG 20 HA ARG 20 -1.659 -7.586 -3.177
71 HB2 ARG 20 HB2 ARG 20 -3.032 -6.263 -1.438
72 HB3 ARG 20 HB1 ARG 20 -3.552 -5.268 -2.792
73 HG2 ARG 20 HG2 ARG 20 -4.282 -7.436 -3.902
74 HG3 ARG 20 HG1 ARG 20 -4.057 -8.188 -2.324
75 HD2 ARG 20 HD2 ARG 20 -5.879 -5.859 -2.914
76 HD3 ARG 20 HD1 ARG 20 -6.390 -7.535 -2.744
77 HE ARG 20 HE ARG 20 -5.011 -6.710 -0.413
78 HH11 ARG 20 HH11 ARG 20 -8.035 -6.290 -2.120
79 HH12 ARG 20 HH12 ARG 20 -8.951 -5.910 -0.691
80 HH21 ARG 20 HH21 ARG 20 -6.222 -6.213 1.510
81 HH22 ARG 20 HH22 ARG 20 -7.926 -5.855 1.355
82 H HIS 21 HN HIS 21 -1.714 -7.992 -5.287
83 HA HIS 21 HA HIS 21 -1.296 -5.741 -7.087
84 HB2 HIS 21 HB2 HIS 21 -0.044 -8.087 -7.017
85 HB3 HIS 21 HB1 HIS 21 -1.368 -8.549 -8.084
86 HD1 HIS 21 HD1 HIS 21 -1.504 -7.279 -10.412
87 HD2 HIS 21 HD2 HIS 21 1.908 -6.517 -8.149
88 HE1 HIS 21 HE1 HIS 21 0.126 -6.187 -11.981
89 HE2 HIS 21 HE2 HIS 21 2.206 -5.782 -10.615
90 H ALA 22 HN ALA 22 -2.969 -4.792 -7.960
91 HA ALA 22 HA ALA 22 -5.529 -6.047 -8.311
92 HB1 ALA 22 HB1 ALA 22 -4.487 -3.390 -9.314
93 HB2 ALA 22 HB2 ALA 22 -5.304 -3.653 -7.775
94 HB3 ALA 22 HB3 ALA 22 -6.175 -3.894 -9.289
95 HA PRO 23 HA PRO 23 -5.221 -7.322 -12.643
96 HB2 PRO 23 HB2 PRO 23 -7.205 -5.280 -13.476
97 HB3 PRO 23 HB1 PRO 23 -7.228 -7.031 -13.709
98 HG2 PRO 23 HG2 PRO 23 -8.824 -5.871 -11.914
99 HG3 PRO 23 HG1 PRO 23 -8.058 -7.436 -11.583
100 HD2 PRO 23 HD2 PRO 23 -7.317 -4.712 -10.582
101 HD3 PRO 23 HD1 PRO 23 -7.314 -6.268 -9.726
102 H ASN 24 HN ASN 24 -5.012 -3.991 -11.808
103 HA ASN 24 HA ASN 24 -3.798 -2.910 -14.104
104 HB2 ASN 24 HB2 ASN 24 -3.512 -2.218 -11.179
105 HB3 ASN 24 HB1 ASN 24 -2.867 -1.238 -12.492
106 HD21 ASN 24 HD21 ASN 24 -4.219 0.049 -13.660
107 HD22 ASN 24 HD22 ASN 24 -5.893 0.281 -13.267
108 H GLY 25 HN GLY 25 -1.645 -2.820 -14.757
109 HA2 GLY 25 HA2 GLY 25 0.244 -4.680 -13.672
110 HA3 GLY 25 HA1 GLY 25 0.593 -3.403 -14.835
111 H ARG 26 HN ARG 26 -0.627 -3.452 -11.533
112 HA ARG 26 HA ARG 26 1.489 -1.750 -10.539
113 HB2 ARG 26 HB2 ARG 26 -0.023 -0.168 -11.654
114 HB3 ARG 26 HB1 ARG 26 -1.390 -0.821 -10.777
115 HG2 ARG 26 HG2 ARG 26 -0.786 1.196 -9.729
116 HG3 ARG 26 HG1 ARG 26 -0.169 -0.087 -8.684
117 HD2 ARG 26 HD2 ARG 26 2.043 0.238 -9.429
118 HD3 ARG 26 HD1 ARG 26 1.507 1.228 -10.784
119 HE ARG 26 HE ARG 26 0.897 2.264 -8.150
120 HH11 ARG 26 HH11 ARG 26 3.150 2.233 -10.837
121 HH12 ARG 26 HH12 ARG 26 3.812 3.800 -10.463
122 HH21 ARG 26 HH21 ARG 26 1.767 4.338 -7.672
123 HH22 ARG 26 HH22 ARG 26 3.003 5.007 -8.690
124 HA PRO 27 HA PRO 27 -0.256 -3.858 -6.942
125 HB2 PRO 27 HB2 PRO 27 2.145 -3.563 -5.513
126 HB3 PRO 27 HB1 PRO 27 1.647 -4.986 -6.426
127 HG2 PRO 27 HG2 PRO 27 3.803 -3.269 -7.020
128 HG3 PRO 27 HG1 PRO 27 3.151 -4.549 -8.054
129 HD2 PRO 27 HD2 PRO 27 2.693 -1.613 -8.153
130 HD3 PRO 27 HD1 PRO 27 2.675 -2.814 -9.467
131 H PHE 28 HN PHE 28 -1.490 -2.702 -5.540
132 HA PHE 28 HA PHE 28 -0.571 -0.048 -4.789
133 HB2 PHE 28 HB2 PHE 28 -2.788 0.259 -3.753
134 HB3 PHE 28 HB1 PHE 28 -2.898 -0.180 -5.449
135 HD1 PHE 28 HD2 PHE 28 -3.841 -2.311 -6.121
136 HD2 PHE 28 HD1 PHE 28 -3.573 -1.215 -2.018
137 HE1 PHE 28 HE2 PHE 28 -5.446 -4.084 -5.542
138 HE2 PHE 28 HE1 PHE 28 -5.177 -2.982 -1.436
139 HZ PHE 28 HZ PHE 28 -6.117 -4.418 -3.199
140 H PHE 29 HN PHE 29 0.009 0.523 -2.752
141 HA PHE 29 HA PHE 29 1.005 -1.688 -1.140
142 HB2 PHE 29 HB2 PHE 29 1.510 1.289 -0.931
143 HB3 PHE 29 HB1 PHE 29 2.417 0.022 -0.112
144 HD1 PHE 29 HD1 PHE 29 3.929 -1.426 -1.375
145 HD2 PHE 29 HD2 PHE 29 1.832 1.782 -3.234
146 HE1 PHE 29 HE1 PHE 29 5.416 -1.600 -3.323
147 HE2 PHE 29 HE2 PHE 29 3.325 1.611 -5.193
148 HZ PHE 29 HZ PHE 29 5.114 -0.085 -5.237
149 H ILE 30 HN ILE 30 0.305 -2.153 0.912
150 HA ILE 30 HA ILE 30 -1.559 -0.233 2.049
151 HB ILE 30 HB ILE 30 -3.016 -2.103 2.835
152 HG12 ILE 30 HG12 ILE 30 -1.181 -3.736 1.093
153 HG13 ILE 30 HG11 ILE 30 -1.487 -3.920 2.818
154 HG21 ILE 30 HG21 ILE 30 -3.636 -0.847 0.856
155 HG22 ILE 30 HG22 ILE 30 -4.093 -2.544 0.689
156 HG23 ILE 30 HG23 ILE 30 -2.668 -1.929 -0.147
157 HD11 ILE 30 HD11 ILE 30 -3.760 -4.623 2.357
158 HD12 ILE 30 HD12 ILE 30 -2.600 -5.643 1.506
159 HD13 ILE 30 HD13 ILE 30 -3.493 -4.400 0.628
160 H ASP 31 HN ASP 31 -1.299 0.317 4.025
161 HA ASP 31 HA ASP 31 0.801 -0.932 5.599
162 HB2 ASP 31 HB2 ASP 31 0.920 1.457 5.409
163 HB3 ASP 31 HB1 ASP 31 -0.764 1.637 5.885
164 H HIS 32 HN HIS 32 0.359 -2.398 7.059
165 HA HIS 32 HA HIS 32 -2.381 -2.772 7.972
166 HB2 HIS 32 HB2 HIS 32 0.129 -4.427 8.265
167 HB3 HIS 32 HB1 HIS 32 -1.390 -4.852 9.045
168 HD1 HIS 32 HD1 HIS 32 -2.708 -6.497 7.756
169 HD2 HIS 32 HD2 HIS 32 -0.366 -4.106 5.282
170 HE1 HIS 32 HE1 HIS 32 -3.140 -7.303 5.409
171 HE2 HIS 32 HE2 HIS 32 -1.931 -5.669 3.947
172 H ASN 33 HN ASN 33 -0.360 -0.613 8.931
173 HA ASN 33 HA ASN 33 -0.303 -1.299 11.777
174 HB2 ASN 33 HB2 ASN 33 0.961 1.059 10.357
175 HB3 ASN 33 HB1 ASN 33 1.141 0.671 12.064
176 HD21 ASN 33 HD21 ASN 33 2.182 0.029 8.862
177 HD22 ASN 33 HD22 ASN 33 3.411 -1.126 9.265
178 H THR 34 HN THR 34 -1.615 1.111 9.538
179 HA THR 34 HA THR 34 -3.528 1.865 11.633
180 HB THR 34 HB THR 34 -1.735 3.495 11.830
181 HG1 THR 34 HG1 THR 34 -4.085 4.523 10.580
182 HG21 THR 34 HG21 THR 34 -0.814 3.351 9.567
183 HG22 THR 34 HG22 THR 34 -1.177 5.022 9.995
184 HG23 THR 34 HG23 THR 34 -2.259 4.132 8.923
185 H LYS 35 HN LYS 35 -3.715 0.348 9.074
186 HA LYS 35 HA LYS 35 -5.084 0.134 7.278
187 HB2 LYS 35 HB2 LYS 35 -6.975 2.097 8.521
188 HB3 LYS 35 HB1 LYS 35 -7.325 0.580 7.706
189 HG2 LYS 35 HG2 LYS 35 -5.900 0.630 10.339
190 HG3 LYS 35 HG1 LYS 35 -7.658 0.721 10.245
191 HD2 LYS 35 HD2 LYS 35 -6.188 -1.446 8.803
192 HD3 LYS 35 HD1 LYS 35 -6.491 -1.584 10.537
193 HE2 LYS 35 HE2 LYS 35 -8.561 -1.212 8.373
194 HE3 LYS 35 HE1 LYS 35 -8.253 -2.686 9.291
195 HZ1 LYS 35 HZ1 LYS 35 -9.416 -0.138 10.253
196 HZ2 LYS 35 HZ2 LYS 35 -8.787 -1.289 11.325
197 HZ3 LYS 35 HZ3 LYS 35 -10.090 -1.695 10.323
198 H THR 36 HN THR 36 -3.407 1.441 6.064
199 HA THR 36 HA THR 36 -4.768 3.688 4.768
200 HB THR 36 HB THR 36 -1.904 3.929 5.734
201 HG1 THR 36 HG1 THR 36 -3.939 4.102 7.243
202 HG21 THR 36 HG21 THR 36 -3.767 5.952 4.476
203 HG22 THR 36 HG22 THR 36 -2.384 5.192 3.688
204 HG23 THR 36 HG23 THR 36 -2.132 6.276 5.056
205 H THR 37 HN THR 37 -4.262 3.864 2.557
206 HA THR 37 HA THR 37 -2.280 1.939 1.553
207 HB THR 37 HB THR 37 -4.471 0.900 1.299
208 HG1 THR 37 HG1 THR 37 -2.845 0.706 -0.406
209 HG21 THR 37 HG21 THR 37 -6.176 1.892 -0.177
210 HG22 THR 37 HG22 THR 37 -5.197 3.354 -0.305
211 HG23 THR 37 HG23 THR 37 -5.879 2.882 1.252
212 H THR 38 HN THR 38 -1.255 2.469 -0.374
213 HA THR 38 HA THR 38 -1.985 4.887 -1.779
214 HB THR 38 HB THR 38 -0.514 5.808 -0.073
215 HG1 THR 38 HG1 THR 38 0.865 6.857 -1.474
216 HG21 THR 38 HG21 THR 38 0.729 3.777 0.490
217 HG22 THR 38 HG22 THR 38 1.824 5.106 0.110
218 HG23 THR 38 HG23 THR 38 1.540 3.832 -1.075
219 H TRP 39 HN TRP 39 -1.122 5.015 -3.871
220 HA TRP 39 HA TRP 39 -0.229 2.456 -4.910
221 HB2 TRP 39 HB2 TRP 39 -0.964 5.045 -6.286
222 HB3 TRP 39 HB1 TRP 39 -0.425 3.600 -7.135
223 HD1 TRP 39 HD1 TRP 39 -3.403 4.945 -5.117
224 HE1 TRP 39 HE1 TRP 39 -5.463 3.486 -5.641
225 HE3 TRP 39 HE3 TRP 39 -1.127 1.286 -7.914
226 HZ2 TRP 39 HZ2 TRP 39 -6.044 1.112 -7.037
227 HZ3 TRP 39 HZ3 TRP 39 -2.513 -0.526 -8.800
228 HH2 TRP 39 HH2 TRP 39 -4.921 -0.622 -8.372
229 H GLU 40 HN GLU 40 1.120 5.302 -3.763
230 HA GLU 40 HA GLU 40 3.521 5.151 -5.404
231 HB2 GLU 40 HB2 GLU 40 2.565 7.038 -3.256
232 HB3 GLU 40 HB1 GLU 40 4.232 7.059 -3.811
233 HG2 GLU 40 HG2 GLU 40 2.855 8.761 -4.904
234 HG3 GLU 40 HG1 GLU 40 3.525 7.604 -6.052
235 H ASP 41 HN ASP 41 5.268 4.051 -4.820
236 HA ASP 41 HA ASP 41 5.279 2.308 -2.633
237 HB2 ASP 41 HB2 ASP 41 6.672 2.107 -4.737
238 HB3 ASP 41 HB1 ASP 41 7.747 3.321 -4.053
239 HA PRO 42 HA PRO 42 6.076 5.321 0.568
240 HB2 PRO 42 HB2 PRO 42 6.394 2.857 2.182
241 HB3 PRO 42 HB1 PRO 42 5.355 4.261 2.454
242 HG2 PRO 42 HG2 PRO 42 4.323 1.959 1.607
243 HG3 PRO 42 HG1 PRO 42 3.728 3.504 0.972
244 HD2 PRO 42 HD2 PRO 42 5.593 1.530 -0.280
245 HD3 PRO 42 HD1 PRO 42 4.270 2.453 -1.021
246 H ARG 43 HN ARG 43 8.258 2.920 -0.607
247 HA ARG 43 HA ARG 43 10.406 3.551 1.184
248 HB2 ARG 43 HB2 ARG 43 10.407 2.298 -1.562
249 HB3 ARG 43 HB1 ARG 43 11.859 2.518 -0.595
250 HG2 ARG 43 HG2 ARG 43 10.969 1.074 1.128
251 HG3 ARG 43 HG1 ARG 43 9.456 0.905 0.234
252 HD2 ARG 43 HD2 ARG 43 10.856 -1.037 -0.123
253 HD3 ARG 43 HD1 ARG 43 10.687 -0.127 -1.622
254 HE ARG 43 HE ARG 43 13.034 0.616 -0.159
255 HH11 ARG 43 HH11 ARG 43 11.694 -1.722 -2.389
256 HH12 ARG 43 HH12 ARG 43 13.241 -2.227 -3.003
257 HH21 ARG 43 HH21 ARG 43 15.091 -0.040 -0.966
258 HH22 ARG 43 HH22 ARG 43 15.168 -1.256 -2.215
259 H LEU 44 HN LEU 44 9.009 5.096 -1.543
260 HA LEU 44 HA LEU 44 11.300 6.748 -2.116
261 HB2 LEU 44 HB2 LEU 44 8.454 6.721 -3.059
262 HB3 LEU 44 HB1 LEU 44 9.476 8.105 -3.387
263 HG LEU 44 HG LEU 44 9.450 6.656 -5.310
264 HD11 LEU 44 HD11 LEU 44 12.074 6.453 -3.845
265 HD12 LEU 44 HD12 LEU 44 11.534 7.808 -4.836
266 HD13 LEU 44 HD13 LEU 44 11.843 6.239 -5.580
267 HD21 LEU 44 HD21 LEU 44 10.438 4.481 -3.470
268 HD22 LEU 44 HD22 LEU 44 10.309 4.361 -5.225
269 HD23 LEU 44 HD23 LEU 44 8.855 4.557 -4.245
270 H LYS 45 HN LYS 45 8.846 6.721 0.213
271 HA LYS 45 HA LYS 45 9.904 8.896 1.622
272 HB2 LYS 45 HB2 LYS 45 8.843 10.316 -0.035
273 HB3 LYS 45 HB1 LYS 45 7.309 9.483 0.186
274 HG2 LYS 45 HG2 LYS 45 7.387 11.672 1.309
275 HG3 LYS 45 HG1 LYS 45 7.116 10.337 2.432
276 HD2 LYS 45 HD2 LYS 45 9.518 10.364 2.999
277 HD3 LYS 45 HD1 LYS 45 9.738 11.745 1.923
278 HE2 LYS 45 HE2 LYS 45 9.558 12.465 4.241
279 HE3 LYS 45 HE1 LYS 45 8.201 13.060 3.288
280 HZ1 LYS 45 HZ1 LYS 45 7.473 12.234 5.431
281 HZ2 LYS 45 HZ2 LYS 45 8.142 10.705 5.117
282 HZ3 LYS 45 HZ3 LYS 45 6.839 11.271 4.192
283 H ILE 46 HN ILE 46 9.717 7.997 3.543
284 HA ILE 46 HA ILE 46 7.209 6.730 4.339
285 HB ILE 46 HB ILE 46 9.827 6.936 5.849
286 HG12 ILE 46 HG12 ILE 46 8.591 4.596 4.374
287 HG13 ILE 46 HG11 ILE 46 9.980 5.529 3.826
288 HG21 ILE 46 HG21 ILE 46 7.921 6.752 7.348
289 HG22 ILE 46 HG22 ILE 46 8.849 5.252 7.344
290 HG23 ILE 46 HG23 ILE 46 7.331 5.351 6.451
291 HD11 ILE 46 HD11 ILE 46 9.861 3.857 6.325
292 HD12 ILE 46 HD12 ILE 46 11.258 4.770 5.756
293 HD13 ILE 46 HD13 ILE 46 10.649 3.409 4.813
294 H THR 112 H THR 112 -11.875 8.619 -7.502
295 HA THR 112 HA THR 112 -12.006 6.826 -5.907
296 HB THR 112 HB THR 112 -13.198 5.251 -8.203
297 HG1 THR 112 HG1 THR 112 -15.084 5.279 -6.934
298 HG21 THR 112 HG21 THR 112 -12.635 4.458 -5.340
299 HG22 THR 112 HG22 THR 112 -11.773 3.875 -6.762
300 HG23 THR 112 HG23 THR 112 -13.472 3.466 -6.533
301 H ALA 113 HN ALA 113 -10.077 5.872 -5.653
302 HA ALA 113 HA ALA 113 -8.655 4.727 -7.884
303 HB1 ALA 113 HB1 ALA 113 -6.653 6.084 -7.705
304 HB2 ALA 113 HB2 ALA 113 -7.411 7.074 -6.458
305 HB3 ALA 113 HB3 ALA 113 -8.044 7.093 -8.104
306 HA PRO 114 HA PRO 114 -6.546 3.443 -3.833
307 HB2 PRO 114 HB2 PRO 114 -6.966 4.738 -1.522
308 HB3 PRO 114 HB1 PRO 114 -5.786 5.314 -2.705
309 HG2 PRO 114 HG2 PRO 114 -8.538 6.311 -2.127
310 HG3 PRO 114 HG1 PRO 114 -7.076 7.224 -2.541
311 HD2 PRO 114 HD2 PRO 114 -9.106 6.570 -4.314
312 HD3 PRO 114 HD1 PRO 114 -7.453 7.013 -4.776
313 HA PRO 115 HA PRO 115 -10.231 1.051 -2.764
314 HB2 PRO 115 HB2 PRO 115 -8.782 -0.910 -1.472
315 HB3 PRO 115 HB1 PRO 115 -9.077 -0.876 -3.212
316 HG2 PRO 115 HG2 PRO 115 -6.673 0.026 -1.680
317 HG3 PRO 115 HG1 PRO 115 -6.758 -0.874 -3.207
318 HD2 PRO 115 HD2 PRO 115 -6.226 1.743 -3.177
319 HD3 PRO 115 HD1 PRO 115 -7.248 1.032 -4.444
320 H GLU 116 HN GLU 116 -11.498 1.197 -0.977
321 HA GLU 116 HA GLU 116 -10.698 2.605 1.307
322 HB2 GLU 116 HB2 GLU 116 -12.849 1.303 2.258
323 HB3 GLU 116 HB1 GLU 116 -12.957 2.704 1.209
324 HG2 GLU 116 HG2 GLU 116 -14.489 1.121 0.387
325 HG3 GLU 116 HG1 GLU 116 -13.127 1.122 -0.728
326 H TYR 117 HN TYR 117 -9.544 2.031 3.019
327 HA TYR 117 HA TYR 117 -8.495 -0.657 2.992
328 HB2 TYR 117 HB2 TYR 117 -7.107 1.484 3.267
329 HB3 TYR 117 HB1 TYR 117 -7.681 1.486 4.934
330 HD1 TYR 117 HD2 TYR 117 -7.520 -1.088 5.971
331 HD2 TYR 117 HD1 TYR 117 -4.988 0.636 3.025
332 HE1 TYR 117 HE2 TYR 117 -5.763 -2.699 6.551
333 HE2 TYR 117 HE1 TYR 117 -3.231 -0.977 3.597
334 HH TYR 117 HH TYR 117 -3.774 -3.745 5.229
335 H MET 118 HN MET 118 -9.331 -2.224 4.116
336 HA MET 118 HA MET 118 -9.359 -2.144 6.925
337 HB2 MET 118 HB2 MET 118 -11.523 -1.013 6.660
338 HB3 MET 118 HB1 MET 118 -12.092 -2.292 5.596
339 HG2 MET 118 HG2 MET 118 -11.917 -3.886 7.464
340 HG3 MET 118 HG1 MET 118 -11.428 -2.561 8.519
341 HE1 MET 118 HE1 MET 118 -13.233 -0.163 7.566
342 HE2 MET 118 HE2 MET 118 -13.004 -0.587 9.262
343 HE3 MET 118 HE3 MET 118 -14.631 -0.339 8.629
344 H GLU 119 HN GLU 119 -8.371 -4.070 7.137
345 HA GLU 119 HA GLU 119 -9.377 -6.330 5.534
346 HB2 GLU 119 HB2 GLU 119 -6.544 -5.845 6.478
347 HB3 GLU 119 HB1 GLU 119 -7.094 -7.219 5.526
348 HG2 GLU 119 HG2 GLU 119 -7.672 -5.719 3.691
349 HG3 GLU 119 HG1 GLU 119 -7.121 -4.340 4.642
350 H ALA 120 HN ALA 120 -10.059 -8.051 6.634
351 HA ALA 120 HA ALA 120 -9.936 -8.023 9.519
352 HB1 ALA 120 HB1 ALA 120 -11.434 -9.943 9.403
353 HB2 ALA 120 HB2 ALA 120 -11.215 -10.025 7.656
354 HB3 ALA 120 HB3 ALA 120 -12.019 -8.632 8.379
Start of MODEL 17
1 H PHE 12 H PHE 12 9.183 -7.424 1.383
2 HA PHE 12 HA PHE 12 10.779 -5.734 1.871
3 HB2 PHE 12 HB2 PHE 12 11.461 -5.214 -0.381
4 HB3 PHE 12 HB1 PHE 12 10.738 -6.814 -0.385
5 HD1 PHE 12 HD1 PHE 12 8.556 -7.186 -1.449
6 HD2 PHE 12 HD2 PHE 12 10.474 -3.394 -1.561
7 HE1 PHE 12 HE1 PHE 12 7.076 -6.493 -3.287
8 HE2 PHE 12 HE2 PHE 12 8.998 -2.693 -3.395
9 HZ PHE 12 HZ PHE 12 7.297 -4.242 -4.259
10 H LEU 13 HN LEU 13 7.801 -4.610 2.099
11 HA LEU 13 HA LEU 13 8.474 -1.816 1.523
12 HB2 LEU 13 HB2 LEU 13 5.839 -3.080 2.302
13 HB3 LEU 13 HB1 LEU 13 6.083 -1.364 2.093
14 HG LEU 13 HG LEU 13 5.056 -2.064 0.115
15 HD11 LEU 13 HD11 LEU 13 6.752 -1.748 -1.623
16 HD12 LEU 13 HD12 LEU 13 8.016 -1.968 -0.413
17 HD13 LEU 13 HD13 LEU 13 6.921 -0.591 -0.303
18 HD21 LEU 13 HD21 LEU 13 7.019 -4.344 -0.025
19 HD22 LEU 13 HD22 LEU 13 5.783 -3.965 -1.224
20 HD23 LEU 13 HD23 LEU 13 5.310 -4.462 0.400
21 HA PRO 14 HA PRO 14 9.064 -0.181 5.674
22 HB2 PRO 14 HB2 PRO 14 6.358 0.906 4.898
23 HB3 PRO 14 HB1 PRO 14 7.624 1.694 5.839
24 HG2 PRO 14 HG2 PRO 14 7.430 2.206 3.264
25 HG3 PRO 14 HG1 PRO 14 9.030 1.931 3.981
26 HD2 PRO 14 HD2 PRO 14 7.452 0.194 2.177
27 HD3 PRO 14 HD1 PRO 14 9.206 0.246 2.449
28 H LYS 15 HN LYS 15 8.555 -0.807 7.679
29 HA LYS 15 HA LYS 15 7.110 -3.038 8.325
30 HB2 LYS 15 HB2 LYS 15 7.612 -0.626 10.079
31 HB3 LYS 15 HB1 LYS 15 7.166 -2.226 10.654
32 HG2 LYS 15 HG2 LYS 15 9.235 -3.152 9.966
33 HG3 LYS 15 HG1 LYS 15 9.652 -1.704 9.047
34 HD2 LYS 15 HD2 LYS 15 10.888 -1.804 11.157
35 HD3 LYS 15 HD1 LYS 15 9.795 -0.420 11.120
36 HE2 LYS 15 HE2 LYS 15 8.181 -1.647 12.473
37 HE3 LYS 15 HE1 LYS 15 9.245 -3.054 12.484
38 HZ1 LYS 15 HZ1 LYS 15 10.883 -1.805 13.695
39 HZ2 LYS 15 HZ2 LYS 15 9.403 -1.712 14.523
40 HZ3 LYS 15 HZ3 LYS 15 9.948 -0.393 13.603
41 H GLY 16 HN GLY 16 5.027 -3.423 7.957
42 HA2 GLY 16 HA2 GLY 16 2.798 -3.064 8.918
43 HA3 GLY 16 HA1 GLY 16 3.084 -1.341 8.729
44 H TRP 17 HN TRP 17 4.382 -1.950 6.059
45 HA TRP 17 HA TRP 17 1.867 -1.830 4.570
46 HB2 TRP 17 HB2 TRP 17 4.686 -1.055 3.826
47 HB3 TRP 17 HB1 TRP 17 3.333 -0.965 2.715
48 HD1 TRP 17 HD1 TRP 17 4.737 0.650 5.854
49 HE1 TRP 17 HE1 TRP 17 3.712 2.989 6.130
50 HE3 TRP 17 HE3 TRP 17 1.155 0.460 2.125
51 HZ2 TRP 17 HZ2 TRP 17 1.721 4.563 4.915
52 HZ3 TRP 17 HZ3 TRP 17 -0.194 2.437 1.753
53 HH2 TRP 17 HH2 TRP 17 0.045 4.446 3.126
54 H GLU 18 HN GLU 18 1.226 -3.328 3.261
55 HA GLU 18 HA GLU 18 3.025 -5.518 2.471
56 HB2 GLU 18 HB2 GLU 18 1.139 -6.198 3.910
57 HB3 GLU 18 HB1 GLU 18 0.009 -5.468 2.781
58 HG2 GLU 18 HG2 GLU 18 0.083 -7.887 2.550
59 HG3 GLU 18 HG1 GLU 18 0.629 -7.073 1.083
60 H VAL 19 HN VAL 19 2.872 -6.244 0.260
61 HA VAL 19 HA VAL 19 1.971 -4.100 -1.517
62 HB VAL 19 HB VAL 19 4.262 -4.826 -1.864
63 HG11 VAL 19 HG11 VAL 19 4.801 -7.066 -2.695
64 HG12 VAL 19 HG12 VAL 19 3.121 -7.548 -2.465
65 HG13 VAL 19 HG13 VAL 19 4.113 -7.115 -1.072
66 HG21 VAL 19 HG21 VAL 19 3.013 -4.041 -3.795
67 HG22 VAL 19 HG22 VAL 19 2.461 -5.685 -4.122
68 HG23 VAL 19 HG23 VAL 19 4.173 -5.284 -4.266
69 H ARG 20 HN ARG 20 -0.039 -4.232 -2.219
70 HA ARG 20 HA ARG 20 -1.122 -6.885 -2.922
71 HB2 ARG 20 HB2 ARG 20 -2.334 -5.543 -1.155
72 HB3 ARG 20 HB1 ARG 20 -2.680 -4.344 -2.393
73 HG2 ARG 20 HG2 ARG 20 -4.614 -5.633 -2.281
74 HG3 ARG 20 HG1 ARG 20 -3.762 -6.253 -3.696
75 HD2 ARG 20 HD2 ARG 20 -4.531 -8.143 -2.500
76 HD3 ARG 20 HD1 ARG 20 -2.798 -8.030 -2.192
77 HE ARG 20 HE ARG 20 -4.157 -6.666 -0.150
78 HH11 ARG 20 HH11 ARG 20 -3.758 -9.923 -1.349
79 HH12 ARG 20 HH12 ARG 20 -3.986 -10.670 0.203
80 HH21 ARG 20 HH21 ARG 20 -4.468 -7.625 1.906
81 HH22 ARG 20 HH22 ARG 20 -4.382 -9.356 2.053
82 H HIS 21 HN HIS 21 -1.297 -7.281 -5.057
83 HA HIS 21 HA HIS 21 -0.889 -5.025 -6.866
84 HB2 HIS 21 HB2 HIS 21 0.349 -7.366 -6.927
85 HB3 HIS 21 HB1 HIS 21 -1.068 -7.833 -7.862
86 HD1 HIS 21 HD1 HIS 21 -1.494 -6.412 -10.104
87 HD2 HIS 21 HD2 HIS 21 2.231 -5.957 -8.305
88 HE1 HIS 21 HE1 HIS 21 -0.027 -5.349 -11.846
89 HE2 HIS 21 HE2 HIS 21 2.253 -5.175 -10.777
90 H ALA 22 HN ALA 22 -2.609 -4.045 -7.621
91 HA ALA 22 HA ALA 22 -5.206 -5.249 -7.739
92 HB1 ALA 22 HB1 ALA 22 -5.907 -3.110 -8.674
93 HB2 ALA 22 HB2 ALA 22 -4.226 -2.641 -8.920
94 HB3 ALA 22 HB3 ALA 22 -4.856 -2.837 -7.286
95 HA PRO 23 HA PRO 23 -5.287 -6.482 -12.125
96 HB2 PRO 23 HB2 PRO 23 -7.414 -4.499 -12.686
97 HB3 PRO 23 HB1 PRO 23 -7.414 -6.248 -12.930
98 HG2 PRO 23 HG2 PRO 23 -8.830 -5.103 -10.962
99 HG3 PRO 23 HG1 PRO 23 -8.061 -6.688 -10.764
100 HD2 PRO 23 HD2 PRO 23 -7.211 -4.024 -9.719
101 HD3 PRO 23 HD1 PRO 23 -7.095 -5.624 -8.960
102 H ASN 24 HN ASN 24 -5.180 -3.185 -11.148
103 HA ASN 24 HA ASN 24 -4.186 -1.877 -13.418
104 HB2 ASN 24 HB2 ASN 24 -4.826 -1.072 -10.980
105 HB3 ASN 24 HB1 ASN 24 -3.113 -1.325 -10.681
106 HD21 ASN 24 HD21 ASN 24 -2.421 -0.505 -13.464
107 HD22 ASN 24 HD22 ASN 24 -2.589 1.216 -13.480
108 H GLY 25 HN GLY 25 -2.171 -1.933 -14.413
109 HA2 GLY 25 HA2 GLY 25 -0.160 -3.784 -13.550
110 HA3 GLY 25 HA1 GLY 25 0.034 -2.539 -14.788
111 H ARG 26 HN ARG 26 -0.721 -2.515 -11.371
112 HA ARG 26 HA ARG 26 1.544 -0.947 -10.584
113 HB2 ARG 26 HB2 ARG 26 0.065 0.733 -11.678
114 HB3 ARG 26 HB1 ARG 26 -1.239 0.274 -10.605
115 HG2 ARG 26 HG2 ARG 26 -0.124 1.217 -8.744
116 HG3 ARG 26 HG1 ARG 26 1.403 1.340 -9.623
117 HD2 ARG 26 HD2 ARG 26 0.392 3.526 -9.484
118 HD3 ARG 26 HD1 ARG 26 0.350 2.962 -11.150
119 HE ARG 26 HE ARG 26 -2.049 2.390 -9.688
120 HH11 ARG 26 HH11 ARG 26 -0.376 4.796 -11.616
121 HH12 ARG 26 HH12 ARG 26 -1.836 5.601 -12.106
122 HH21 ARG 26 HH21 ARG 26 -3.972 3.470 -10.330
123 HH22 ARG 26 HH22 ARG 26 -3.874 4.877 -11.347
124 HA PRO 27 HA PRO 27 -0.229 -3.101 -7.043
125 HB2 PRO 27 HB2 PRO 27 2.172 -3.031 -5.607
126 HB3 PRO 27 HB1 PRO 27 1.636 -4.332 -6.665
127 HG2 PRO 27 HG2 PRO 27 3.830 -2.592 -7.067
128 HG3 PRO 27 HG1 PRO 27 3.194 -3.794 -8.196
129 HD2 PRO 27 HD2 PRO 27 2.799 -0.863 -8.141
130 HD3 PRO 27 HD1 PRO 27 2.712 -2.003 -9.500
131 H PHE 28 HN PHE 28 -1.364 -2.134 -5.489
132 HA PHE 28 HA PHE 28 -0.519 0.504 -4.627
133 HB2 PHE 28 HB2 PHE 28 -2.737 0.698 -3.588
134 HB3 PHE 28 HB1 PHE 28 -2.854 0.278 -5.287
135 HD1 PHE 28 HD2 PHE 28 -3.397 -2.127 -5.891
136 HD2 PHE 28 HD1 PHE 28 -3.761 -0.583 -1.942
137 HE1 PHE 28 HE2 PHE 28 -4.917 -3.974 -5.305
138 HE2 PHE 28 HE1 PHE 28 -5.279 -2.419 -1.357
139 HZ PHE 28 HZ PHE 28 -5.858 -4.119 -3.038
140 H PHE 29 HN PHE 29 0.140 0.971 -2.625
141 HA PHE 29 HA PHE 29 1.154 -1.276 -1.078
142 HB2 PHE 29 HB2 PHE 29 1.633 1.702 -0.834
143 HB3 PHE 29 HB1 PHE 29 2.552 0.441 -0.020
144 HD1 PHE 29 HD1 PHE 29 3.978 -1.093 -1.385
145 HD2 PHE 29 HD2 PHE 29 2.055 2.317 -3.062
146 HE1 PHE 29 HE1 PHE 29 5.451 -1.234 -3.349
147 HE2 PHE 29 HE2 PHE 29 3.532 2.180 -5.029
148 HZ PHE 29 HZ PHE 29 5.226 0.399 -5.176
149 H ILE 30 HN ILE 30 0.561 -1.681 1.080
150 HA ILE 30 HA ILE 30 -1.505 0.096 2.062
151 HB ILE 30 HB ILE 30 -2.874 -1.940 2.744
152 HG12 ILE 30 HG12 ILE 30 -1.108 -3.288 0.697
153 HG13 ILE 30 HG11 ILE 30 -1.063 -3.589 2.430
154 HG21 ILE 30 HG21 ILE 30 -2.523 -1.375 -0.192
155 HG22 ILE 30 HG22 ILE 30 -3.569 -0.500 0.928
156 HG23 ILE 30 HG23 ILE 30 -3.909 -2.187 0.538
157 HD11 ILE 30 HD11 ILE 30 -3.359 -4.422 2.340
158 HD12 ILE 30 HD12 ILE 30 -2.288 -5.327 1.269
159 HD13 ILE 30 HD13 ILE 30 -3.391 -4.123 0.602
160 H ASP 31 HN ASP 31 -1.376 0.675 4.031
161 HA ASP 31 HA ASP 31 0.403 -0.725 5.863
162 HB2 ASP 31 HB2 ASP 31 0.599 1.710 5.686
163 HB3 ASP 31 HB1 ASP 31 -1.094 1.892 6.137
164 H HIS 32 HN HIS 32 -0.288 -1.950 7.510
165 HA HIS 32 HA HIS 32 -3.131 -2.520 7.589
166 HB2 HIS 32 HB2 HIS 32 -0.758 -3.878 8.857
167 HB3 HIS 32 HB1 HIS 32 -2.418 -4.364 9.176
168 HD1 HIS 32 HD1 HIS 32 -3.600 -5.746 7.410
169 HD2 HIS 32 HD2 HIS 32 0.144 -4.408 6.206
170 HE1 HIS 32 HE1 HIS 32 -3.107 -6.960 5.264
171 HE2 HIS 32 HE2 HIS 32 -0.744 -6.309 4.697
172 H ASN 33 HN ASN 33 -0.961 -0.609 9.445
173 HA ASN 33 HA ASN 33 -2.507 -1.098 11.888
174 HB2 ASN 33 HB2 ASN 33 -0.718 -0.276 13.153
175 HB3 ASN 33 HB1 ASN 33 0.062 -1.162 11.852
176 HD21 ASN 33 HD21 ASN 33 1.188 -0.003 10.251
177 HD22 ASN 33 HD22 ASN 33 1.628 1.648 10.464
178 H THR 34 HN THR 34 -2.466 1.022 9.340
179 HA THR 34 HA THR 34 -3.839 3.079 10.950
180 HB THR 34 HB THR 34 -2.566 3.650 8.286
181 HG1 THR 34 HG1 THR 34 -0.893 2.801 9.551
182 HG21 THR 34 HG21 THR 34 -3.112 5.360 10.718
183 HG22 THR 34 HG22 THR 34 -4.075 5.335 9.241
184 HG23 THR 34 HG23 THR 34 -2.411 5.919 9.197
185 H LYS 35 HN LYS 35 -4.334 0.658 8.702
186 HA LYS 35 HA LYS 35 -5.722 0.214 6.989
187 HB2 LYS 35 HB2 LYS 35 -7.646 2.098 8.346
188 HB3 LYS 35 HB1 LYS 35 -8.032 0.708 7.343
189 HG2 LYS 35 HG2 LYS 35 -6.940 0.732 10.143
190 HG3 LYS 35 HG1 LYS 35 -8.475 0.079 9.575
191 HD2 LYS 35 HD2 LYS 35 -7.185 -1.608 8.261
192 HD3 LYS 35 HD1 LYS 35 -5.712 -1.006 9.026
193 HE2 LYS 35 HE2 LYS 35 -6.950 -1.459 11.247
194 HE3 LYS 35 HE1 LYS 35 -8.034 -2.442 10.265
195 HZ1 LYS 35 HZ1 LYS 35 -6.108 -3.736 9.535
196 HZ2 LYS 35 HZ2 LYS 35 -6.315 -3.813 11.209
197 HZ3 LYS 35 HZ3 LYS 35 -5.101 -2.829 10.551
198 H THR 36 HN THR 36 -4.135 1.529 5.702
199 HA THR 36 HA THR 36 -5.569 3.554 4.181
200 HB THR 36 HB THR 36 -2.861 4.185 5.384
201 HG1 THR 36 HG1 THR 36 -5.374 4.455 6.383
202 HG21 THR 36 HG21 THR 36 -3.248 5.252 3.210
203 HG22 THR 36 HG22 THR 36 -3.275 6.446 4.508
204 HG23 THR 36 HG23 THR 36 -4.786 5.891 3.790
205 H THR 37 HN THR 37 -4.697 3.884 2.074
206 HA THR 37 HA THR 37 -2.494 2.100 1.310
207 HB THR 37 HB THR 37 -4.568 0.952 0.713
208 HG1 THR 37 HG1 THR 37 -2.700 0.883 -0.720
209 HG21 THR 37 HG21 THR 37 -5.179 3.399 -0.948
210 HG22 THR 37 HG22 THR 37 -6.052 2.876 0.493
211 HG23 THR 37 HG23 THR 37 -6.091 1.890 -0.968
212 H THR 38 HN THR 38 -1.282 2.744 -0.498
213 HA THR 38 HA THR 38 -1.907 5.291 -1.766
214 HB THR 38 HB THR 38 -0.509 5.895 0.187
215 HG1 THR 38 HG1 THR 38 1.302 6.802 -1.239
216 HG21 THR 38 HG21 THR 38 1.840 5.209 0.262
217 HG22 THR 38 HG22 THR 38 1.579 4.154 -1.127
218 HG23 THR 38 HG23 THR 38 0.763 3.820 0.402
219 H TRP 39 HN TRP 39 -0.832 5.579 -3.798
220 HA TRP 39 HA TRP 39 -0.006 3.009 -4.919
221 HB2 TRP 39 HB2 TRP 39 -0.801 5.591 -6.268
222 HB3 TRP 39 HB1 TRP 39 -0.272 4.149 -7.127
223 HD1 TRP 39 HD1 TRP 39 -3.220 5.528 -5.117
224 HE1 TRP 39 HE1 TRP 39 -5.281 4.051 -5.561
225 HE3 TRP 39 HE3 TRP 39 -0.990 1.761 -7.797
226 HZ2 TRP 39 HZ2 TRP 39 -5.888 1.631 -6.864
227 HZ3 TRP 39 HZ3 TRP 39 -2.385 -0.076 -8.608
228 HH2 TRP 39 HH2 TRP 39 -4.786 -0.152 -8.148
229 H GLU 40 HN GLU 40 1.419 5.737 -3.662
230 HA GLU 40 HA GLU 40 3.816 5.377 -5.305
231 HB2 GLU 40 HB2 GLU 40 4.604 7.469 -4.032
232 HB3 GLU 40 HB1 GLU 40 3.365 7.663 -5.259
233 HG2 GLU 40 HG2 GLU 40 2.429 8.923 -3.645
234 HG3 GLU 40 HG1 GLU 40 1.779 7.361 -3.152
235 H ASP 41 HN ASP 41 5.645 4.546 -4.498
236 HA ASP 41 HA ASP 41 5.308 2.719 -2.401
237 HB2 ASP 41 HB2 ASP 41 7.669 2.143 -2.721
238 HB3 ASP 41 HB1 ASP 41 6.819 2.263 -4.254
239 HA PRO 42 HA PRO 42 6.191 5.229 1.157
240 HB2 PRO 42 HB2 PRO 42 6.446 2.566 2.429
241 HB3 PRO 42 HB1 PRO 42 5.407 3.927 2.864
242 HG2 PRO 42 HG2 PRO 42 4.394 1.749 1.710
243 HG3 PRO 42 HG1 PRO 42 3.794 3.365 1.293
244 HD2 PRO 42 HD2 PRO 42 5.674 1.596 -0.214
245 HD3 PRO 42 HD1 PRO 42 4.348 2.606 -0.824
246 H ARG 43 HN ARG 43 8.251 3.004 -0.394
247 HA ARG 43 HA ARG 43 10.404 2.860 1.398
248 HB2 ARG 43 HB2 ARG 43 10.143 2.548 -1.558
249 HB3 ARG 43 HB1 ARG 43 11.750 2.672 -0.859
250 HG2 ARG 43 HG2 ARG 43 11.256 0.753 0.589
251 HG3 ARG 43 HG1 ARG 43 9.661 0.621 -0.156
252 HD2 ARG 43 HD2 ARG 43 10.532 -0.065 -2.200
253 HD3 ARG 43 HD1 ARG 43 12.131 0.590 -1.846
254 HE ARG 43 HE ARG 43 11.500 -1.477 -0.019
255 HH11 ARG 43 HH11 ARG 43 12.250 -1.057 -3.417
256 HH12 ARG 43 HH12 ARG 43 13.150 -2.546 -3.522
257 HH21 ARG 43 HH21 ARG 43 12.713 -3.401 -0.153
258 HH22 ARG 43 HH22 ARG 43 13.419 -3.864 -1.674
259 H LEU 44 HN LEU 44 9.610 5.284 -1.068
260 HA LEU 44 HA LEU 44 11.933 6.858 -0.408
261 HB2 LEU 44 HB2 LEU 44 10.866 8.584 -1.883
262 HB3 LEU 44 HB1 LEU 44 11.226 7.052 -2.649
263 HG LEU 44 HG LEU 44 8.756 6.469 -2.242
264 HD11 LEU 44 HD11 LEU 44 8.598 9.462 -1.918
265 HD12 LEU 44 HD12 LEU 44 8.246 8.266 -0.670
266 HD13 LEU 44 HD13 LEU 44 7.231 8.364 -2.109
267 HD21 LEU 44 HD21 LEU 44 8.086 7.615 -4.290
268 HD22 LEU 44 HD22 LEU 44 9.706 6.929 -4.431
269 HD23 LEU 44 HD23 LEU 44 9.501 8.661 -4.167
270 H LYS 45 HN LYS 45 9.058 6.306 1.107
271 HA LYS 45 HA LYS 45 8.638 9.024 2.064
272 HB2 LYS 45 HB2 LYS 45 6.965 6.832 1.555
273 HB3 LYS 45 HB1 LYS 45 6.961 7.024 3.302
274 HG2 LYS 45 HG2 LYS 45 6.322 9.379 3.018
275 HG3 LYS 45 HG1 LYS 45 6.269 9.131 1.271
276 HD2 LYS 45 HD2 LYS 45 4.574 7.340 1.643
277 HD3 LYS 45 HD1 LYS 45 4.557 7.773 3.353
278 HE2 LYS 45 HE2 LYS 45 2.710 8.841 2.225
279 HE3 LYS 45 HE1 LYS 45 3.878 10.060 2.733
280 HZ1 LYS 45 HZ1 LYS 45 3.153 10.508 0.500
281 HZ2 LYS 45 HZ2 LYS 45 3.571 8.944 -0.005
282 HZ3 LYS 45 HZ3 LYS 45 4.775 10.035 0.466
283 H ILE 46 HN ILE 46 10.018 6.029 3.119
284 HA ILE 46 HA ILE 46 9.806 6.720 5.926
285 HB ILE 46 HB ILE 46 9.408 4.405 5.282
286 HG12 ILE 46 HG12 ILE 46 10.542 5.072 7.512
287 HG13 ILE 46 HG11 ILE 46 10.506 3.375 7.058
288 HG21 ILE 46 HG21 ILE 46 11.221 2.948 4.507
289 HG22 ILE 46 HG22 ILE 46 12.270 4.359 4.358
290 HG23 ILE 46 HG23 ILE 46 10.829 4.221 3.351
291 HD11 ILE 46 HD11 ILE 46 12.825 3.542 6.295
292 HD12 ILE 46 HD12 ILE 46 12.651 3.981 7.994
293 HD13 ILE 46 HD13 ILE 46 12.853 5.240 6.777
294 H THR 112 H THR 112 -11.468 2.800 -12.208
295 HA THR 112 HA THR 112 -10.014 2.236 -10.396
296 HB THR 112 HB THR 112 -8.672 4.143 -12.324
297 HG1 THR 112 HG1 THR 112 -8.560 2.333 -13.709
298 HG21 THR 112 HG21 THR 112 -7.636 1.675 -10.916
299 HG22 THR 112 HG22 THR 112 -7.214 3.340 -10.520
300 HG23 THR 112 HG23 THR 112 -6.741 2.657 -12.075
301 H ALA 113 HN ALA 113 -9.866 2.889 -8.367
302 HA ALA 113 HA ALA 113 -8.637 5.455 -7.760
303 HB1 ALA 113 HB1 ALA 113 -11.338 4.666 -6.653
304 HB2 ALA 113 HB2 ALA 113 -11.033 5.973 -7.797
305 HB3 ALA 113 HB3 ALA 113 -10.395 6.070 -6.156
306 HA PRO 114 HA PRO 114 -6.702 3.306 -4.360
307 HB2 PRO 114 HB2 PRO 114 -7.997 5.239 -2.490
308 HB3 PRO 114 HB1 PRO 114 -6.301 4.762 -2.624
309 HG2 PRO 114 HG2 PRO 114 -7.116 7.112 -3.563
310 HG3 PRO 114 HG1 PRO 114 -5.911 6.150 -4.439
311 HD2 PRO 114 HD2 PRO 114 -8.807 6.556 -5.033
312 HD3 PRO 114 HD1 PRO 114 -7.438 6.378 -6.150
313 HA PRO 115 HA PRO 115 -10.138 0.610 -3.323
314 HB2 PRO 115 HB2 PRO 115 -7.944 -0.893 -2.005
315 HB3 PRO 115 HB1 PRO 115 -9.101 -1.437 -3.222
316 HG2 PRO 115 HG2 PRO 115 -6.564 -1.005 -3.871
317 HG3 PRO 115 HG1 PRO 115 -7.870 -0.542 -4.978
318 HD2 PRO 115 HD2 PRO 115 -6.264 1.178 -3.121
319 HD3 PRO 115 HD1 PRO 115 -6.762 1.492 -4.798
320 H GLU 116 HN GLU 116 -11.414 0.475 -1.551
321 HA GLU 116 HA GLU 116 -10.735 1.878 0.814
322 HB2 GLU 116 HB2 GLU 116 -12.993 1.799 0.352
323 HB3 GLU 116 HB1 GLU 116 -13.021 0.064 0.092
324 HG2 GLU 116 HG2 GLU 116 -14.122 0.473 2.133
325 HG3 GLU 116 HG1 GLU 116 -12.525 -0.138 2.566
326 H TYR 117 HN TYR 117 -10.232 1.166 2.791
327 HA TYR 117 HA TYR 117 -8.759 -1.388 2.647
328 HB2 TYR 117 HB2 TYR 117 -7.399 0.737 2.732
329 HB3 TYR 117 HB1 TYR 117 -8.004 0.962 4.372
330 HD1 TYR 117 HD1 TYR 117 -7.596 -0.992 6.036
331 HD2 TYR 117 HD2 TYR 117 -5.504 -0.540 2.367
332 HE1 TYR 117 HE1 TYR 117 -5.817 -2.462 6.877
333 HE2 TYR 117 HE2 TYR 117 -3.728 -2.009 3.204
334 HH TYR 117 HH TYR 117 -2.815 -2.768 5.303
335 H MET 118 HN MET 118 -9.557 -2.920 3.861
336 HA MET 118 HA MET 118 -9.757 -2.404 6.707
337 HB2 MET 118 HB2 MET 118 -12.017 -3.733 5.168
338 HB3 MET 118 HB1 MET 118 -11.866 -3.756 6.914
339 HG2 MET 118 HG2 MET 118 -12.230 -1.405 7.048
340 HG3 MET 118 HG1 MET 118 -12.142 -1.240 5.296
341 HE1 MET 118 HE1 MET 118 -14.513 -0.063 7.103
342 HE2 MET 118 HE2 MET 118 -15.908 -0.464 6.100
343 HE3 MET 118 HE3 MET 118 -14.427 0.138 5.353
344 H GLU 119 HN GLU 119 -7.894 -3.613 6.845
345 HA GLU 119 HA GLU 119 -8.216 -6.496 6.387
346 HB2 GLU 119 HB2 GLU 119 -5.856 -4.760 5.697
347 HB3 GLU 119 HB1 GLU 119 -5.684 -6.491 5.951
348 HG2 GLU 119 HG2 GLU 119 -7.475 -6.766 4.162
349 HG3 GLU 119 HG1 GLU 119 -7.203 -5.063 3.794
350 H ALA 120 HN ALA 120 -7.877 -7.651 8.146
351 HA ALA 120 HA ALA 120 -7.248 -8.327 10.209
352 HB1 ALA 120 HB1 ALA 120 -4.962 -8.000 9.383
353 HB2 ALA 120 HB2 ALA 120 -5.097 -7.632 11.102
354 HB3 ALA 120 HB3 ALA 120 -5.012 -6.322 9.923
Start of MODEL 18
1 H PHE 12 H PHE 12 8.818 -8.957 1.220
2 HA PHE 12 HA PHE 12 8.597 -7.350 3.033
3 HB2 PHE 12 HB2 PHE 12 10.991 -6.846 3.221
4 HB3 PHE 12 HB1 PHE 12 10.744 -8.481 2.628
5 HD1 PHE 12 HD2 PHE 12 11.077 -8.943 0.173
6 HD2 PHE 12 HD1 PHE 12 12.237 -5.277 2.000
7 HE1 PHE 12 HE2 PHE 12 12.559 -8.466 -1.731
8 HE2 PHE 12 HE1 PHE 12 13.722 -4.795 0.099
9 HZ PHE 12 HZ PHE 12 13.883 -6.389 -1.770
10 H LEU 13 HN LEU 13 8.028 -5.363 3.560
11 HA LEU 13 HA LEU 13 8.839 -3.102 1.898
12 HB2 LEU 13 HB2 LEU 13 5.972 -3.796 2.551
13 HB3 LEU 13 HB1 LEU 13 6.478 -2.210 2.007
14 HG LEU 13 HG LEU 13 6.783 -4.755 0.408
15 HD11 LEU 13 HD11 LEU 13 4.446 -4.157 0.674
16 HD12 LEU 13 HD12 LEU 13 4.982 -3.837 -0.976
17 HD13 LEU 13 HD13 LEU 13 4.793 -2.505 0.166
18 HD21 LEU 13 HD21 LEU 13 7.214 -1.863 -0.340
19 HD22 LEU 13 HD22 LEU 13 7.310 -3.239 -1.440
20 HD23 LEU 13 HD23 LEU 13 8.474 -3.079 -0.126
21 HA PRO 14 HA PRO 14 9.150 -0.437 5.512
22 HB2 PRO 14 HB2 PRO 14 6.504 0.613 4.578
23 HB3 PRO 14 HB1 PRO 14 7.894 1.507 5.207
24 HG2 PRO 14 HG2 PRO 14 7.464 1.365 2.581
25 HG3 PRO 14 HG1 PRO 14 9.109 1.295 3.241
26 HD2 PRO 14 HD2 PRO 14 7.497 -0.834 1.996
27 HD3 PRO 14 HD1 PRO 14 9.254 -0.725 2.207
28 H LYS 15 HN LYS 15 8.756 -1.147 7.484
29 HA LYS 15 HA LYS 15 7.722 -2.144 9.271
30 HB2 LYS 15 HB2 LYS 15 6.075 0.256 8.539
31 HB3 LYS 15 HB1 LYS 15 5.755 -0.667 10.003
32 HG2 LYS 15 HG2 LYS 15 8.014 -0.226 10.784
33 HG3 LYS 15 HG1 LYS 15 8.367 0.652 9.294
34 HD2 LYS 15 HD2 LYS 15 7.858 2.215 11.079
35 HD3 LYS 15 HD1 LYS 15 6.595 2.268 9.848
36 HE2 LYS 15 HE2 LYS 15 5.185 0.834 11.228
37 HE3 LYS 15 HE1 LYS 15 6.449 0.760 12.455
38 HZ1 LYS 15 HZ1 LYS 15 5.026 3.216 11.573
39 HZ2 LYS 15 HZ2 LYS 15 6.245 3.154 12.750
40 HZ3 LYS 15 HZ3 LYS 15 4.759 2.386 13.029
41 H GLY 16 HN GLY 16 4.625 -1.140 7.891
42 HA2 GLY 16 HA2 GLY 16 3.774 -3.950 8.126
43 HA3 GLY 16 HA1 GLY 16 2.826 -2.603 8.719
44 H TRP 17 HN TRP 17 4.501 -2.203 5.742
45 HA TRP 17 HA TRP 17 1.935 -2.027 4.376
46 HB2 TRP 17 HB2 TRP 17 4.735 -1.290 3.512
47 HB3 TRP 17 HB1 TRP 17 3.325 -1.115 2.485
48 HD1 TRP 17 HD1 TRP 17 4.945 0.350 5.621
49 HE1 TRP 17 HE1 TRP 17 4.003 2.704 6.024
50 HE3 TRP 17 HE3 TRP 17 1.192 0.383 2.084
51 HZ2 TRP 17 HZ2 TRP 17 1.987 4.361 4.990
52 HZ3 TRP 17 HZ3 TRP 17 -0.145 2.402 1.862
53 HH2 TRP 17 HH2 TRP 17 0.213 4.350 3.293
54 H GLU 18 HN GLU 18 1.165 -3.540 3.118
55 HA GLU 18 HA GLU 18 2.890 -5.755 2.238
56 HB2 GLU 18 HB2 GLU 18 1.000 -6.448 3.619
57 HB3 GLU 18 HB1 GLU 18 -0.114 -5.566 2.587
58 HG2 GLU 18 HG2 GLU 18 -0.260 -7.918 2.126
59 HG3 GLU 18 HG1 GLU 18 0.423 -7.081 0.734
60 H VAL 19 HN VAL 19 2.739 -6.451 0.047
61 HA VAL 19 HA VAL 19 1.844 -4.306 -1.743
62 HB VAL 19 HB VAL 19 4.205 -4.906 -1.969
63 HG11 VAL 19 HG11 VAL 19 4.902 -7.056 -2.868
64 HG12 VAL 19 HG12 VAL 19 3.239 -7.638 -2.797
65 HG13 VAL 19 HG13 VAL 19 4.105 -7.252 -1.307
66 HG21 VAL 19 HG21 VAL 19 2.543 -5.710 -4.346
67 HG22 VAL 19 HG22 VAL 19 4.247 -5.254 -4.390
68 HG23 VAL 19 HG23 VAL 19 3.030 -4.074 -3.907
69 H ARG 20 HN ARG 20 -0.110 -4.570 -2.557
70 HA ARG 20 HA ARG 20 -0.963 -7.308 -3.249
71 HB2 ARG 20 HB2 ARG 20 -2.252 -5.982 -1.443
72 HB3 ARG 20 HB1 ARG 20 -2.851 -5.009 -2.781
73 HG2 ARG 20 HG2 ARG 20 -4.493 -6.647 -2.356
74 HG3 ARG 20 HG1 ARG 20 -3.661 -7.151 -3.828
75 HD2 ARG 20 HD2 ARG 20 -3.942 -9.085 -2.457
76 HD3 ARG 20 HD1 ARG 20 -2.235 -8.644 -2.420
77 HE ARG 20 HE ARG 20 -3.930 -7.660 -0.252
78 HH11 ARG 20 HH11 ARG 20 -1.472 -9.923 -1.331
79 HH12 ARG 20 HH12 ARG 20 -1.032 -10.401 0.286
80 HH21 ARG 20 HH21 ARG 20 -3.362 -8.285 1.862
81 HH22 ARG 20 HH22 ARG 20 -2.128 -9.494 2.100
82 H HIS 21 HN HIS 21 -1.204 -7.708 -5.345
83 HA HIS 21 HA HIS 21 -0.965 -5.469 -7.202
84 HB2 HIS 21 HB2 HIS 21 0.399 -7.747 -7.187
85 HB3 HIS 21 HB1 HIS 21 -0.992 -8.313 -8.110
86 HD1 HIS 21 HD1 HIS 21 -1.342 -7.292 -10.476
87 HD2 HIS 21 HD2 HIS 21 2.088 -5.997 -8.500
88 HE1 HIS 21 HE1 HIS 21 0.040 -6.105 -12.219
89 HE2 HIS 21 HE2 HIS 21 2.150 -5.401 -11.024
90 H ALA 22 HN ALA 22 -2.605 -4.783 -8.440
91 HA ALA 22 HA ALA 22 -5.076 -6.390 -8.441
92 HB1 ALA 22 HB1 ALA 22 -6.300 -4.262 -8.562
93 HB2 ALA 22 HB2 ALA 22 -4.771 -3.381 -8.502
94 HB3 ALA 22 HB3 ALA 22 -5.286 -4.354 -7.126
95 HA PRO 23 HA PRO 23 -5.310 -6.357 -12.893
96 HB2 PRO 23 HB2 PRO 23 -7.889 -4.916 -12.877
97 HB3 PRO 23 HB1 PRO 23 -7.502 -6.521 -13.502
98 HG2 PRO 23 HG2 PRO 23 -8.924 -6.229 -11.265
99 HG3 PRO 23 HG1 PRO 23 -7.726 -7.528 -11.429
100 HD2 PRO 23 HD2 PRO 23 -7.503 -4.915 -9.981
101 HD3 PRO 23 HD1 PRO 23 -6.959 -6.529 -9.479
102 H ASN 24 HN ASN 24 -5.122 -3.495 -11.238
103 HA ASN 24 HA ASN 24 -5.184 -1.641 -13.420
104 HB2 ASN 24 HB2 ASN 24 -3.971 -0.177 -11.677
105 HB3 ASN 24 HB1 ASN 24 -5.655 -0.620 -11.400
106 HD21 ASN 24 HD21 ASN 24 -5.629 -0.538 -9.215
107 HD22 ASN 24 HD22 ASN 24 -4.707 -1.620 -8.232
108 H GLY 25 HN GLY 25 -3.186 -4.109 -12.848
109 HA2 GLY 25 HA2 GLY 25 -1.061 -4.655 -13.546
110 HA3 GLY 25 HA1 GLY 25 -1.091 -3.188 -14.525
111 H ARG 26 HN ARG 26 -1.759 -2.976 -11.200
112 HA ARG 26 HA ARG 26 0.819 -1.677 -10.721
113 HB2 ARG 26 HB2 ARG 26 -0.730 0.071 -11.292
114 HB3 ARG 26 HB1 ARG 26 -1.979 -0.588 -10.244
115 HG2 ARG 26 HG2 ARG 26 -0.993 1.349 -9.213
116 HG3 ARG 26 HG1 ARG 26 -0.427 -0.068 -8.322
117 HD2 ARG 26 HD2 ARG 26 1.669 -0.031 -9.547
118 HD3 ARG 26 HD1 ARG 26 1.103 1.330 -10.510
119 HE ARG 26 HE ARG 26 0.999 2.091 -7.832
120 HH11 ARG 26 HH11 ARG 26 3.411 1.125 -10.181
121 HH12 ARG 26 HH12 ARG 26 4.639 2.166 -9.529
122 HH21 ARG 26 HH21 ARG 26 2.653 3.480 -6.975
123 HH22 ARG 26 HH22 ARG 26 4.215 3.496 -7.735
124 HA PRO 27 HA PRO 27 0.127 -3.731 -6.762
125 HB2 PRO 27 HB2 PRO 27 2.711 -3.064 -5.864
126 HB3 PRO 27 HB1 PRO 27 2.219 -4.588 -6.592
127 HG2 PRO 27 HG2 PRO 27 3.984 -2.700 -7.689
128 HG3 PRO 27 HG1 PRO 27 3.265 -4.082 -8.529
129 HD2 PRO 27 HD2 PRO 27 2.490 -1.213 -8.594
130 HD3 PRO 27 HD1 PRO 27 2.328 -2.467 -9.842
131 H PHE 28 HN PHE 28 -1.122 -2.544 -5.393
132 HA PHE 28 HA PHE 28 -0.255 0.148 -4.722
133 HB2 PHE 28 HB2 PHE 28 -2.423 0.404 -3.570
134 HB3 PHE 28 HB1 PHE 28 -2.602 -0.032 -5.258
135 HD1 PHE 28 HD1 PHE 28 -2.459 -1.694 -1.911
136 HD2 PHE 28 HD2 PHE 28 -4.216 -1.568 -5.783
137 HE1 PHE 28 HE1 PHE 28 -4.033 -3.461 -1.252
138 HE2 PHE 28 HE2 PHE 28 -5.783 -3.342 -5.126
139 HZ PHE 28 HZ PHE 28 -5.695 -4.291 -2.864
140 H PHE 29 HN PHE 29 0.219 0.829 -2.667
141 HA PHE 29 HA PHE 29 1.363 -1.267 -0.989
142 HB2 PHE 29 HB2 PHE 29 1.674 1.741 -0.871
143 HB3 PHE 29 HB1 PHE 29 2.646 0.561 0.003
144 HD1 PHE 29 HD1 PHE 29 4.247 -0.862 -1.221
145 HD2 PHE 29 HD2 PHE 29 2.019 2.199 -3.175
146 HE1 PHE 29 HE1 PHE 29 5.750 -1.019 -3.164
147 HE2 PHE 29 HE2 PHE 29 3.525 2.047 -5.123
148 HZ PHE 29 HZ PHE 29 5.389 0.438 -5.118
149 H ILE 30 HN ILE 30 0.532 -1.784 0.998
150 HA ILE 30 HA ILE 30 -1.453 0.072 2.046
151 HB ILE 30 HB ILE 30 -2.878 -1.930 2.696
152 HG12 ILE 30 HG12 ILE 30 -1.151 -3.271 0.606
153 HG13 ILE 30 HG11 ILE 30 -1.178 -3.659 2.322
154 HG21 ILE 30 HG21 ILE 30 -3.538 -0.399 0.942
155 HG22 ILE 30 HG22 ILE 30 -3.963 -2.053 0.505
156 HG23 ILE 30 HG23 ILE 30 -2.556 -1.282 -0.225
157 HD11 ILE 30 HD11 ILE 30 -3.501 -4.383 2.118
158 HD12 ILE 30 HD12 ILE 30 -2.437 -5.279 1.034
159 HD13 ILE 30 HD13 ILE 30 -3.465 -3.996 0.398
160 H ASP 31 HN ASP 31 -1.335 0.543 4.068
161 HA ASP 31 HA ASP 31 0.558 -0.881 5.762
162 HB2 ASP 31 HB2 ASP 31 0.788 1.497 5.805
163 HB3 ASP 31 HB1 ASP 31 -0.939 1.723 6.068
164 H HIS 32 HN HIS 32 -0.019 -2.276 7.273
165 HA HIS 32 HA HIS 32 -2.867 -2.738 7.703
166 HB2 HIS 32 HB2 HIS 32 -0.393 -4.373 8.200
167 HB3 HIS 32 HB1 HIS 32 -1.939 -4.823 8.913
168 HD1 HIS 32 HD1 HIS 32 -3.564 -6.052 7.460
169 HD2 HIS 32 HD2 HIS 32 -0.407 -4.419 5.296
170 HE1 HIS 32 HE1 HIS 32 -3.820 -6.929 5.116
171 HE2 HIS 32 HE2 HIS 32 -2.044 -5.745 3.789
172 H ASN 33 HN ASN 33 -0.957 -0.635 9.069
173 HA ASN 33 HA ASN 33 -1.441 -1.400 11.849
174 HB2 ASN 33 HB2 ASN 33 0.082 0.961 10.723
175 HB3 ASN 33 HB1 ASN 33 -0.092 0.593 12.434
176 HD21 ASN 33 HD21 ASN 33 1.594 -0.064 9.533
177 HD22 ASN 33 HD22 ASN 33 2.711 -1.220 10.200
178 H THR 34 HN THR 34 -2.250 1.166 9.533
179 HA THR 34 HA THR 34 -4.324 2.055 11.440
180 HB THR 34 HB THR 34 -2.457 3.646 11.400
181 HG1 THR 34 HG1 THR 34 -4.827 4.599 10.123
182 HG21 THR 34 HG21 THR 34 -1.979 4.957 9.381
183 HG22 THR 34 HG22 THR 34 -3.106 3.955 8.465
184 HG23 THR 34 HG23 THR 34 -1.637 3.245 9.135
185 H LYS 35 HN LYS 35 -4.235 0.377 8.786
186 HA LYS 35 HA LYS 35 -5.550 0.038 6.967
187 HB2 LYS 35 HB2 LYS 35 -7.351 1.579 8.788
188 HB3 LYS 35 HB1 LYS 35 -7.880 1.271 7.144
189 HG2 LYS 35 HG2 LYS 35 -8.765 -0.379 8.685
190 HG3 LYS 35 HG1 LYS 35 -7.684 -1.124 7.512
191 HD2 LYS 35 HD2 LYS 35 -5.920 -1.249 9.151
192 HD3 LYS 35 HD1 LYS 35 -6.893 -0.348 10.319
193 HE2 LYS 35 HE2 LYS 35 -8.527 -2.148 10.369
194 HE3 LYS 35 HE1 LYS 35 -7.609 -3.038 9.158
195 HZ1 LYS 35 HZ1 LYS 35 -7.318 -3.685 11.584
196 HZ2 LYS 35 HZ2 LYS 35 -6.391 -2.269 11.739
197 HZ3 LYS 35 HZ3 LYS 35 -5.911 -3.489 10.656
198 H THR 36 HN THR 36 -3.943 1.282 5.715
199 HA THR 36 HA THR 36 -5.297 3.431 4.299
200 HB THR 36 HB THR 36 -2.534 3.862 5.468
201 HG1 THR 36 HG1 THR 36 -5.003 4.261 6.499
202 HG21 THR 36 HG21 THR 36 -2.849 4.977 3.309
203 HG22 THR 36 HG22 THR 36 -2.779 6.153 4.622
204 HG23 THR 36 HG23 THR 36 -4.333 5.723 3.907
205 H THR 37 HN THR 37 -4.632 3.674 2.173
206 HA THR 37 HA THR 37 -2.519 1.854 1.238
207 HB THR 37 HB THR 37 -4.674 0.894 0.621
208 HG1 THR 37 HG1 THR 37 -3.036 0.666 -0.919
209 HG21 THR 37 HG21 THR 37 -6.041 2.913 0.662
210 HG22 THR 37 HG22 THR 37 -6.218 2.070 -0.878
211 HG23 THR 37 HG23 THR 37 -5.212 3.516 -0.774
212 H THR 38 HN THR 38 -1.285 2.583 -0.542
213 HA THR 38 HA THR 38 -1.856 5.192 -1.666
214 HB THR 38 HB THR 38 -0.523 5.815 0.287
215 HG1 THR 38 HG1 THR 38 0.247 7.257 -1.062
216 HG21 THR 38 HG21 THR 38 1.812 5.091 0.499
217 HG22 THR 38 HG22 THR 38 1.600 4.009 -0.878
218 HG23 THR 38 HG23 THR 38 0.702 3.722 0.612
219 H TRP 39 HN TRP 39 -0.831 5.603 -3.607
220 HA TRP 39 HA TRP 39 0.502 3.285 -4.830
221 HB2 TRP 39 HB2 TRP 39 -0.578 5.693 -6.305
222 HB3 TRP 39 HB1 TRP 39 -0.192 4.107 -6.958
223 HD1 TRP 39 HD1 TRP 39 -2.833 5.866 -4.784
224 HE1 TRP 39 HE1 TRP 39 -5.028 4.543 -4.916
225 HE3 TRP 39 HE3 TRP 39 -1.219 1.827 -7.555
226 HZ2 TRP 39 HZ2 TRP 39 -5.963 2.136 -6.025
227 HZ3 TRP 39 HZ3 TRP 39 -2.851 0.083 -8.086
228 HH2 TRP 39 HH2 TRP 39 -5.171 0.227 -7.344
229 H GLU 40 HN GLU 40 1.268 5.955 -3.202
230 HA GLU 40 HA GLU 40 3.172 7.194 -4.982
231 HB2 GLU 40 HB2 GLU 40 2.777 7.599 -2.016
232 HB3 GLU 40 HB1 GLU 40 3.658 8.661 -3.104
233 HG2 GLU 40 HG2 GLU 40 1.683 9.353 -4.186
234 HG3 GLU 40 HG1 GLU 40 0.736 8.063 -3.445
235 H ASP 41 HN ASP 41 3.183 4.627 -2.758
236 HA ASP 41 HA ASP 41 4.733 3.164 -2.030
237 HB2 ASP 41 HB2 ASP 41 5.631 3.055 -4.256
238 HB3 ASP 41 HB1 ASP 41 6.540 4.546 -4.012
239 HA PRO 42 HA PRO 42 6.533 5.606 1.239
240 HB2 PRO 42 HB2 PRO 42 6.865 3.549 2.959
241 HB3 PRO 42 HB1 PRO 42 5.302 4.327 2.687
242 HG2 PRO 42 HG2 PRO 42 6.359 1.761 1.578
243 HG3 PRO 42 HG1 PRO 42 4.733 2.144 2.170
244 HD2 PRO 42 HD2 PRO 42 5.398 2.074 -0.474
245 HD3 PRO 42 HD1 PRO 42 4.096 3.085 0.182
246 H ARG 43 HN ARG 43 7.945 3.090 -0.646
247 HA ARG 43 HA ARG 43 10.525 3.220 0.660
248 HB2 ARG 43 HB2 ARG 43 9.766 2.076 -2.035
249 HB3 ARG 43 HB1 ARG 43 11.345 1.919 -1.280
250 HG2 ARG 43 HG2 ARG 43 10.280 0.701 0.591
251 HG3 ARG 43 HG1 ARG 43 8.746 0.781 -0.279
252 HD2 ARG 43 HD2 ARG 43 9.798 -1.363 -0.669
253 HD3 ARG 43 HD1 ARG 43 9.782 -0.427 -2.163
254 HE ARG 43 HE ARG 43 12.217 -0.126 -0.656
255 HH11 ARG 43 HH11 ARG 43 10.543 -2.136 -2.985
256 HH12 ARG 43 HH12 ARG 43 12.002 -2.789 -3.663
257 HH21 ARG 43 HH21 ARG 43 14.128 -0.956 -1.560
258 HH22 ARG 43 HH22 ARG 43 14.047 -2.083 -2.881
259 H LEU 44 HN LEU 44 8.885 4.764 -1.994
260 HA LEU 44 HA LEU 44 11.171 6.300 -2.813
261 HB2 LEU 44 HB2 LEU 44 8.225 6.632 -3.382
262 HB3 LEU 44 HB1 LEU 44 9.481 7.629 -4.091
263 HG LEU 44 HG LEU 44 9.247 4.642 -4.468
264 HD11 LEU 44 HD11 LEU 44 8.517 6.897 -6.327
265 HD12 LEU 44 HD12 LEU 44 7.390 5.803 -5.525
266 HD13 LEU 44 HD13 LEU 44 8.513 5.181 -6.734
267 HD21 LEU 44 HD21 LEU 44 10.913 4.981 -6.224
268 HD22 LEU 44 HD22 LEU 44 11.535 5.471 -4.648
269 HD23 LEU 44 HD23 LEU 44 11.009 6.691 -5.807
270 H LYS 45 HN LYS 45 9.090 6.366 -0.208
271 HA LYS 45 HA LYS 45 9.653 9.205 0.322
272 HB2 LYS 45 HB2 LYS 45 7.246 8.220 0.414
273 HB3 LYS 45 HB1 LYS 45 7.761 7.491 1.926
274 HG2 LYS 45 HG2 LYS 45 8.260 9.706 2.831
275 HG3 LYS 45 HG1 LYS 45 7.744 10.440 1.310
276 HD2 LYS 45 HD2 LYS 45 5.498 9.479 1.640
277 HD3 LYS 45 HD1 LYS 45 6.026 8.815 3.189
278 HE2 LYS 45 HE2 LYS 45 6.480 11.070 4.003
279 HE3 LYS 45 HE1 LYS 45 5.983 11.741 2.451
280 HZ1 LYS 45 HZ1 LYS 45 3.766 10.735 2.850
281 HZ2 LYS 45 HZ2 LYS 45 4.183 11.940 3.967
282 HZ3 LYS 45 HZ3 LYS 45 4.274 10.307 4.414
283 H ILE 46 HN ILE 46 9.444 9.059 3.142
284 HA ILE 46 HA ILE 46 11.026 6.985 4.234
285 HB ILE 46 HB ILE 46 12.816 8.191 3.040
286 HG12 ILE 46 HG12 ILE 46 13.154 7.054 5.317
287 HG13 ILE 46 HG11 ILE 46 14.415 8.140 4.752
288 HG21 ILE 46 HG21 ILE 46 12.096 10.540 4.777
289 HG22 ILE 46 HG22 ILE 46 11.920 10.424 3.026
290 HG23 ILE 46 HG23 ILE 46 13.527 10.426 3.752
291 HD11 ILE 46 HD11 ILE 46 13.995 8.429 7.117
292 HD12 ILE 46 HD12 ILE 46 12.299 8.792 6.792
293 HD13 ILE 46 HD13 ILE 46 13.561 9.888 6.226
294 H THR 112 H THR 112 -12.229 7.089 -9.211
295 HA THR 112 HA THR 112 -11.478 7.639 -7.026
296 HB THR 112 HB THR 112 -13.160 5.306 -6.082
297 HG1 THR 112 HG1 THR 112 -14.345 7.070 -5.001
298 HG21 THR 112 HG21 THR 112 -11.552 7.365 -4.562
299 HG22 THR 112 HG22 THR 112 -11.117 5.669 -4.774
300 HG23 THR 112 HG23 THR 112 -12.550 6.101 -3.842
301 H ALA 113 HN ALA 113 -9.430 7.006 -7.058
302 HA ALA 113 HA ALA 113 -8.723 4.550 -8.390
303 HB1 ALA 113 HB1 ALA 113 -6.917 6.628 -7.167
304 HB2 ALA 113 HB2 ALA 113 -7.491 6.618 -8.834
305 HB3 ALA 113 HB3 ALA 113 -6.433 5.330 -8.259
306 HA PRO 114 HA PRO 114 -6.658 3.499 -4.125
307 HB2 PRO 114 HB2 PRO 114 -8.175 5.168 -2.216
308 HB3 PRO 114 HB1 PRO 114 -6.441 4.839 -2.294
309 HG2 PRO 114 HG2 PRO 114 -7.425 7.224 -2.976
310 HG3 PRO 114 HG1 PRO 114 -6.062 6.503 -3.852
311 HD2 PRO 114 HD2 PRO 114 -8.956 6.626 -4.625
312 HD3 PRO 114 HD1 PRO 114 -7.513 6.889 -5.627
313 HA PRO 115 HA PRO 115 -10.222 0.811 -3.584
314 HB2 PRO 115 HB2 PRO 115 -8.266 -0.929 -2.257
315 HB3 PRO 115 HB1 PRO 115 -9.193 -1.223 -3.727
316 HG2 PRO 115 HG2 PRO 115 -6.536 -0.809 -3.776
317 HG3 PRO 115 HG1 PRO 115 -7.603 -0.267 -5.086
318 HD2 PRO 115 HD2 PRO 115 -6.409 1.309 -2.837
319 HD3 PRO 115 HD1 PRO 115 -6.581 1.745 -4.551
320 H GLU 116 HN GLU 116 -11.511 0.245 -1.800
321 HA GLU 116 HA GLU 116 -11.052 1.771 0.559
322 HB2 GLU 116 HB2 GLU 116 -13.074 0.631 1.453
323 HB3 GLU 116 HB1 GLU 116 -13.331 1.378 -0.112
324 HG2 GLU 116 HG2 GLU 116 -12.662 -1.529 0.092
325 HG3 GLU 116 HG1 GLU 116 -14.308 -0.963 0.356
326 H TYR 117 HN TYR 117 -9.851 1.291 2.235
327 HA TYR 117 HA TYR 117 -8.676 -1.378 2.387
328 HB2 TYR 117 HB2 TYR 117 -7.254 0.729 2.449
329 HB3 TYR 117 HB1 TYR 117 -7.960 1.060 4.026
330 HD1 TYR 117 HD2 TYR 117 -7.841 -1.094 5.671
331 HD2 TYR 117 HD1 TYR 117 -5.195 -0.280 2.449
332 HE1 TYR 117 HE2 TYR 117 -6.140 -2.514 6.724
333 HE2 TYR 117 HE1 TYR 117 -3.490 -1.700 3.498
334 HH TYR 117 HH TYR 117 -2.948 -2.465 5.837
335 H MET 118 HN MET 118 -9.308 -2.832 3.830
336 HA MET 118 HA MET 118 -9.724 -2.319 6.516
337 HB2 MET 118 HB2 MET 118 -12.185 -2.775 6.735
338 HB3 MET 118 HB1 MET 118 -11.812 -1.224 5.999
339 HG2 MET 118 HG2 MET 118 -12.271 -2.150 3.791
340 HG3 MET 118 HG1 MET 118 -12.623 -3.716 4.515
341 HE1 MET 118 HE1 MET 118 -16.138 -2.446 3.325
342 HE2 MET 118 HE2 MET 118 -14.951 -3.748 3.228
343 HE3 MET 118 HE3 MET 118 -14.589 -2.168 2.529
344 H GLU 119 HN GLU 119 -8.225 -4.076 5.552
345 HA GLU 119 HA GLU 119 -9.564 -6.672 5.508
346 HB2 GLU 119 HB2 GLU 119 -6.586 -6.148 5.440
347 HB3 GLU 119 HB1 GLU 119 -7.409 -7.641 5.020
348 HG2 GLU 119 HG2 GLU 119 -6.999 -6.846 2.942
349 HG3 GLU 119 HG1 GLU 119 -8.560 -6.078 3.226
350 H ALA 120 HN ALA 120 -6.546 -5.833 7.105
351 HA ALA 120 HA ALA 120 -7.467 -5.793 9.753
352 HB1 ALA 120 HB1 ALA 120 -6.237 -8.423 8.923
353 HB2 ALA 120 HB2 ALA 120 -7.922 -8.174 9.384
354 HB3 ALA 120 HB3 ALA 120 -6.638 -7.939 10.571
Start of MODEL 19
1 H PHE 12 H PHE 12 13.034 -4.994 2.930
2 HA PHE 12 HA PHE 12 11.634 -5.886 5.365
3 HB2 PHE 12 HB2 PHE 12 12.455 -3.713 6.301
4 HB3 PHE 12 HB1 PHE 12 13.728 -4.875 5.958
5 HD1 PHE 12 HD1 PHE 12 15.148 -4.558 3.910
6 HD2 PHE 12 HD2 PHE 12 12.433 -1.582 5.295
7 HE1 PHE 12 HE1 PHE 12 16.329 -2.860 2.577
8 HE2 PHE 12 HE2 PHE 12 13.610 0.116 3.961
9 HZ PHE 12 HZ PHE 12 15.560 -0.523 2.601
10 H LEU 13 HN LEU 13 11.803 -3.402 2.812
11 HA LEU 13 HA LEU 13 10.274 -1.958 1.961
12 HB2 LEU 13 HB2 LEU 13 8.267 -3.806 3.269
13 HB3 LEU 13 HB1 LEU 13 7.872 -2.538 2.127
14 HG LEU 13 HG LEU 13 9.569 -4.957 1.498
15 HD11 LEU 13 HD11 LEU 13 6.717 -4.314 0.765
16 HD12 LEU 13 HD12 LEU 13 7.246 -5.563 1.891
17 HD13 LEU 13 HD13 LEU 13 7.648 -5.692 0.178
18 HD21 LEU 13 HD21 LEU 13 8.483 -2.772 -0.274
19 HD22 LEU 13 HD22 LEU 13 9.341 -4.213 -0.824
20 HD23 LEU 13 HD23 LEU 13 10.174 -3.013 0.163
21 HA PRO 14 HA PRO 14 8.951 1.060 5.072
22 HB2 PRO 14 HB2 PRO 14 6.281 1.398 4.307
23 HB3 PRO 14 HB1 PRO 14 7.647 2.340 3.712
24 HG2 PRO 14 HG2 PRO 14 6.275 0.003 2.474
25 HG3 PRO 14 HG1 PRO 14 6.952 1.451 1.703
26 HD2 PRO 14 HD2 PRO 14 8.234 -0.869 1.599
27 HD3 PRO 14 HD1 PRO 14 9.127 0.644 1.819
28 H LYS 15 HN LYS 15 7.787 1.082 7.008
29 HA LYS 15 HA LYS 15 7.527 -1.368 8.231
30 HB2 LYS 15 HB2 LYS 15 6.295 1.254 9.075
31 HB3 LYS 15 HB1 LYS 15 6.506 -0.150 10.111
32 HG2 LYS 15 HG2 LYS 15 8.780 1.289 8.767
33 HG3 LYS 15 HG1 LYS 15 8.218 1.641 10.401
34 HD2 LYS 15 HD2 LYS 15 9.178 -1.066 9.472
35 HD3 LYS 15 HD1 LYS 15 10.180 0.114 10.319
36 HE2 LYS 15 HE2 LYS 15 7.630 -1.091 11.389
37 HE3 LYS 15 HE1 LYS 15 9.256 -1.614 11.824
38 HZ1 LYS 15 HZ1 LYS 15 8.124 1.097 12.305
39 HZ2 LYS 15 HZ2 LYS 15 9.684 0.581 12.732
40 HZ3 LYS 15 HZ3 LYS 15 8.327 -0.114 13.476
41 H GLY 16 HN GLY 16 6.160 -2.852 7.340
42 HA2 GLY 16 HA2 GLY 16 4.219 -4.062 7.684
43 HA3 GLY 16 HA1 GLY 16 3.485 -2.633 8.379
44 H TRP 17 HN TRP 17 4.903 -2.595 5.150
45 HA TRP 17 HA TRP 17 2.165 -2.317 4.100
46 HB2 TRP 17 HB2 TRP 17 4.798 -1.443 2.892
47 HB3 TRP 17 HB1 TRP 17 3.240 -1.279 2.103
48 HD1 TRP 17 HD1 TRP 17 5.179 0.031 5.130
49 HE1 TRP 17 HE1 TRP 17 4.332 2.380 5.686
50 HE3 TRP 17 HE3 TRP 17 1.194 0.271 1.876
51 HZ2 TRP 17 HZ2 TRP 17 2.264 4.122 4.868
52 HZ3 TRP 17 HZ3 TRP 17 -0.119 2.321 1.824
53 HH2 TRP 17 HH2 TRP 17 0.376 4.202 3.301
54 H GLU 18 HN GLU 18 1.354 -3.703 2.731
55 HA GLU 18 HA GLU 18 3.074 -5.813 1.596
56 HB2 GLU 18 HB2 GLU 18 1.278 -6.609 3.080
57 HB3 GLU 18 HB1 GLU 18 0.088 -5.760 2.112
58 HG2 GLU 18 HG2 GLU 18 0.085 -8.142 1.671
59 HG3 GLU 18 HG1 GLU 18 0.526 -7.216 0.245
60 H VAL 19 HN VAL 19 2.796 -6.340 -0.629
61 HA VAL 19 HA VAL 19 1.657 -4.117 -2.172
62 HB VAL 19 HB VAL 19 3.999 -4.432 -2.646
63 HG11 VAL 19 HG11 VAL 19 3.342 -7.277 -3.393
64 HG12 VAL 19 HG12 VAL 19 4.248 -6.762 -1.970
65 HG13 VAL 19 HG13 VAL 19 4.908 -6.491 -3.582
66 HG21 VAL 19 HG21 VAL 19 2.611 -3.767 -4.508
67 HG22 VAL 19 HG22 VAL 19 2.288 -5.456 -4.904
68 HG23 VAL 19 HG23 VAL 19 3.920 -4.808 -5.072
69 H ARG 20 HN ARG 20 -0.455 -4.647 -2.376
70 HA ARG 20 HA ARG 20 -1.145 -7.313 -3.371
71 HB2 ARG 20 HB2 ARG 20 -2.419 -6.077 -1.472
72 HB3 ARG 20 HB1 ARG 20 -3.126 -5.124 -2.770
73 HG2 ARG 20 HG2 ARG 20 -3.809 -7.334 -3.815
74 HG3 ARG 20 HG1 ARG 20 -3.376 -8.073 -2.275
75 HD2 ARG 20 HD2 ARG 20 -5.442 -5.916 -2.699
76 HD3 ARG 20 HD1 ARG 20 -5.770 -7.620 -2.409
77 HE ARG 20 HE ARG 20 -4.342 -6.911 -0.227
78 HH11 ARG 20 HH11 ARG 20 -7.152 -5.531 -1.801
79 HH12 ARG 20 HH12 ARG 20 -7.819 -4.889 -0.326
80 HH21 ARG 20 HH21 ARG 20 -5.236 -6.054 1.744
81 HH22 ARG 20 HH22 ARG 20 -6.738 -5.188 1.658
82 H HIS 21 HN HIS 21 -1.656 -7.655 -5.466
83 HA HIS 21 HA HIS 21 -1.332 -5.377 -7.250
84 HB2 HIS 21 HB2 HIS 21 -0.241 -7.762 -7.477
85 HB3 HIS 21 HB1 HIS 21 -1.775 -8.165 -8.239
86 HD1 HIS 21 HD1 HIS 21 -2.232 -7.220 -10.571
87 HD2 HIS 21 HD2 HIS 21 1.389 -5.992 -8.928
88 HE1 HIS 21 HE1 HIS 21 -0.978 -6.096 -12.443
89 HE2 HIS 21 HE2 HIS 21 1.305 -5.609 -11.485
90 H ALA 22 HN ALA 22 -3.046 -4.264 -7.838
91 HA ALA 22 HA ALA 22 -5.703 -5.437 -7.735
92 HB1 ALA 22 HB1 ALA 22 -5.385 -3.203 -6.811
93 HB2 ALA 22 HB2 ALA 22 -6.475 -3.144 -8.189
94 HB3 ALA 22 HB3 ALA 22 -4.800 -2.624 -8.366
95 HA PRO 23 HA PRO 23 -6.195 -6.099 -12.111
96 HB2 PRO 23 HB2 PRO 23 -8.881 -4.901 -11.930
97 HB3 PRO 23 HB1 PRO 23 -8.416 -6.548 -12.362
98 HG2 PRO 23 HG2 PRO 23 -9.598 -5.991 -10.024
99 HG3 PRO 23 HG1 PRO 23 -8.355 -7.247 -10.161
100 HD2 PRO 23 HD2 PRO 23 -8.120 -4.451 -9.118
101 HD3 PRO 23 HD1 PRO 23 -7.414 -5.953 -8.484
102 H ASN 24 HN ASN 24 -5.940 -3.124 -10.766
103 HA ASN 24 HA ASN 24 -6.682 -1.459 -12.975
104 HB2 ASN 24 HB2 ASN 24 -5.093 -0.915 -10.476
105 HB3 ASN 24 HB1 ASN 24 -5.462 0.315 -11.680
106 HD21 ASN 24 HD21 ASN 24 -6.672 -1.590 -9.084
107 HD22 ASN 24 HD22 ASN 24 -8.236 -0.857 -8.979
108 H GLY 25 HN GLY 25 -4.503 -3.705 -13.048
109 HA2 GLY 25 HA2 GLY 25 -2.398 -4.050 -13.909
110 HA3 GLY 25 HA1 GLY 25 -2.640 -2.549 -14.810
111 H ARG 26 HN ARG 26 -2.770 -2.899 -11.364
112 HA ARG 26 HA ARG 26 -0.388 -1.264 -11.019
113 HB2 ARG 26 HB2 ARG 26 -2.190 0.345 -11.373
114 HB3 ARG 26 HB1 ARG 26 -3.182 -0.439 -10.153
115 HG2 ARG 26 HG2 ARG 26 -2.246 1.468 -9.154
116 HG3 ARG 26 HG1 ARG 26 -1.293 0.111 -8.545
117 HD2 ARG 26 HD2 ARG 26 0.250 0.610 -10.546
118 HD3 ARG 26 HD1 ARG 26 -0.566 2.172 -10.583
119 HE ARG 26 HE ARG 26 0.145 2.070 -8.038
120 HH11 ARG 26 HH11 ARG 26 1.914 1.272 -10.947
121 HH12 ARG 26 HH12 ARG 26 3.473 1.623 -10.270
122 HH21 ARG 26 HH21 ARG 26 2.230 2.566 -7.131
123 HH22 ARG 26 HH22 ARG 26 3.653 2.349 -8.115
124 HA PRO 27 HA PRO 27 -0.628 -3.529 -7.102
125 HB2 PRO 27 HB2 PRO 27 2.042 -2.808 -6.509
126 HB3 PRO 27 HB1 PRO 27 1.489 -4.347 -7.159
127 HG2 PRO 27 HG2 PRO 27 3.087 -2.479 -8.486
128 HG3 PRO 27 HG1 PRO 27 2.232 -3.837 -9.232
129 HD2 PRO 27 HD2 PRO 27 1.490 -0.956 -9.137
130 HD3 PRO 27 HD1 PRO 27 1.180 -2.174 -10.395
131 H PHE 28 HN PHE 28 -1.563 -2.524 -5.411
132 HA PHE 28 HA PHE 28 -0.731 0.221 -4.799
133 HB2 PHE 28 HB2 PHE 28 -2.830 0.464 -3.579
134 HB3 PHE 28 HB1 PHE 28 -3.125 -0.050 -5.230
135 HD1 PHE 28 HD1 PHE 28 -3.729 -2.451 -5.655
136 HD2 PHE 28 HD2 PHE 28 -3.612 -0.768 -1.752
137 HE1 PHE 28 HE1 PHE 28 -5.161 -4.275 -4.820
138 HE2 PHE 28 HE2 PHE 28 -5.045 -2.583 -0.925
139 HZ PHE 28 HZ PHE 28 -5.821 -4.333 -2.458
140 H PHE 29 HN PHE 29 -0.039 0.787 -2.769
141 HA PHE 29 HA PHE 29 1.152 -1.403 -1.257
142 HB2 PHE 29 HB2 PHE 29 1.490 1.595 -1.048
143 HB3 PHE 29 HB1 PHE 29 2.475 0.393 -0.220
144 HD1 PHE 29 HD1 PHE 29 3.938 -1.119 -1.563
145 HD2 PHE 29 HD2 PHE 29 1.862 2.175 -3.294
146 HE1 PHE 29 HE1 PHE 29 5.384 -1.262 -3.551
147 HE2 PHE 29 HE2 PHE 29 3.312 2.038 -5.284
148 HZ PHE 29 HZ PHE 29 5.065 0.312 -5.418
149 H ILE 30 HN ILE 30 0.640 -1.899 0.878
150 HA ILE 30 HA ILE 30 -1.417 -0.215 2.068
151 HB ILE 30 HB ILE 30 -2.656 -2.265 2.822
152 HG12 ILE 30 HG12 ILE 30 -0.905 -3.621 0.766
153 HG13 ILE 30 HG11 ILE 30 -0.822 -3.867 2.505
154 HG21 ILE 30 HG21 ILE 30 -3.754 -2.653 0.678
155 HG22 ILE 30 HG22 ILE 30 -2.436 -1.813 -0.136
156 HG23 ILE 30 HG23 ILE 30 -3.478 -0.941 0.988
157 HD11 ILE 30 HD11 ILE 30 -3.166 -4.534 0.742
158 HD12 ILE 30 HD12 ILE 30 -3.079 -4.784 2.485
159 HD13 ILE 30 HD13 ILE 30 -2.005 -5.679 1.414
160 H ASP 31 HN ASP 31 -1.151 0.329 4.049
161 HA ASP 31 HA ASP 31 0.802 -1.017 5.745
162 HB2 ASP 31 HB2 ASP 31 1.048 1.291 5.956
163 HB3 ASP 31 HB1 ASP 31 -0.687 1.585 5.859
164 H HIS 32 HN HIS 32 0.267 -2.432 7.270
165 HA HIS 32 HA HIS 32 -2.570 -3.007 7.646
166 HB2 HIS 32 HB2 HIS 32 -0.241 -4.607 8.711
167 HB3 HIS 32 HB1 HIS 32 -1.901 -5.146 8.479
168 HD1 HIS 32 HD1 HIS 32 1.342 -5.105 6.884
169 HD2 HIS 32 HD2 HIS 32 -2.593 -5.289 5.590
170 HE1 HIS 32 HE1 HIS 32 1.432 -5.831 4.477
171 HE2 HIS 32 HE2 HIS 32 -0.967 -6.168 3.819
172 H ASN 33 HN ASN 33 -0.391 -1.053 9.134
173 HA ASN 33 HA ASN 33 -0.961 -1.815 11.870
174 HB2 ASN 33 HB2 ASN 33 0.475 0.639 10.827
175 HB3 ASN 33 HB1 ASN 33 0.390 0.134 12.510
176 HD21 ASN 33 HD21 ASN 33 1.897 -0.315 9.457
177 HD22 ASN 33 HD22 ASN 33 3.094 -1.460 9.986
178 H THR 34 HN THR 34 -1.833 0.819 9.655
179 HA THR 34 HA THR 34 -3.965 1.561 11.559
180 HB THR 34 HB THR 34 -3.696 3.922 10.700
181 HG1 THR 34 HG1 THR 34 -1.664 2.655 9.278
182 HG21 THR 34 HG21 THR 34 -2.865 3.252 12.895
183 HG22 THR 34 HG22 THR 34 -1.790 4.433 12.146
184 HG23 THR 34 HG23 THR 34 -1.348 2.726 12.167
185 H LYS 35 HN LYS 35 -3.725 -0.045 8.908
186 HA LYS 35 HA LYS 35 -4.737 -0.317 6.928
187 HB2 LYS 35 HB2 LYS 35 -7.090 0.943 8.337
188 HB3 LYS 35 HB1 LYS 35 -7.141 -0.163 6.969
189 HG2 LYS 35 HG2 LYS 35 -5.906 -1.798 8.548
190 HG3 LYS 35 HG1 LYS 35 -6.481 -0.729 9.828
191 HD2 LYS 35 HD2 LYS 35 -8.792 -1.020 8.909
192 HD3 LYS 35 HD1 LYS 35 -8.141 -2.252 7.828
193 HE2 LYS 35 HE2 LYS 35 -8.265 -2.292 10.832
194 HE3 LYS 35 HE1 LYS 35 -9.045 -3.391 9.699
195 HZ1 LYS 35 HZ1 LYS 35 -6.162 -3.208 10.348
196 HZ2 LYS 35 HZ2 LYS 35 -6.740 -4.079 9.022
197 HZ3 LYS 35 HZ3 LYS 35 -7.199 -4.528 10.593
198 H THR 36 HN THR 36 -3.343 1.255 5.926
199 HA THR 36 HA THR 36 -4.967 3.301 4.622
200 HB THR 36 HB THR 36 -3.743 4.522 6.362
201 HG1 THR 36 HG1 THR 36 -2.659 5.999 4.907
202 HG21 THR 36 HG21 THR 36 -1.300 4.674 6.309
203 HG22 THR 36 HG22 THR 36 -1.253 3.472 5.022
204 HG23 THR 36 HG23 THR 36 -1.831 3.024 6.625
205 H THR 37 HN THR 37 -4.170 3.866 2.496
206 HA THR 37 HA THR 37 -2.221 1.968 1.413
207 HB THR 37 HB THR 37 -4.432 0.915 1.138
208 HG1 THR 37 HG1 THR 37 -2.705 0.800 -0.520
209 HG21 THR 37 HG21 THR 37 -5.100 3.342 -0.532
210 HG22 THR 37 HG22 THR 37 -5.802 2.947 1.037
211 HG23 THR 37 HG23 THR 37 -6.101 1.900 -0.350
212 H THR 38 HN THR 38 -1.267 2.584 -0.541
213 HA THR 38 HA THR 38 -1.946 5.183 -1.652
214 HB THR 38 HB THR 38 -0.334 5.838 -0.003
215 HG1 THR 38 HG1 THR 38 1.533 5.915 -1.938
216 HG21 THR 38 HG21 THR 38 1.481 3.712 -1.141
217 HG22 THR 38 HG22 THR 38 0.680 3.660 0.429
218 HG23 THR 38 HG23 THR 38 1.913 4.879 0.110
219 H TRP 39 HN TRP 39 -1.359 5.446 -3.801
220 HA TRP 39 HA TRP 39 -0.569 3.035 -5.187
221 HB2 TRP 39 HB2 TRP 39 -1.088 5.793 -6.316
222 HB3 TRP 39 HB1 TRP 39 -0.906 4.313 -7.246
223 HD1 TRP 39 HD1 TRP 39 -3.426 6.332 -5.308
224 HE1 TRP 39 HE1 TRP 39 -5.741 5.238 -5.501
225 HE3 TRP 39 HE3 TRP 39 -2.055 1.881 -7.508
226 HZ2 TRP 39 HZ2 TRP 39 -6.851 2.835 -6.439
227 HZ3 TRP 39 HZ3 TRP 39 -3.840 0.257 -8.001
228 HH2 TRP 39 HH2 TRP 39 -6.177 0.721 -7.485
229 H GLU 40 HN GLU 40 0.816 6.110 -4.255
230 HA GLU 40 HA GLU 40 3.218 5.657 -5.793
231 HB2 GLU 40 HB2 GLU 40 4.048 7.717 -4.804
232 HB3 GLU 40 HB1 GLU 40 2.423 7.956 -5.424
233 HG2 GLU 40 HG2 GLU 40 1.505 7.902 -3.216
234 HG3 GLU 40 HG1 GLU 40 3.067 7.446 -2.532
235 H ASP 41 HN ASP 41 5.188 5.056 -4.985
236 HA ASP 41 HA ASP 41 4.999 3.044 -3.008
237 HB2 ASP 41 HB2 ASP 41 6.447 2.890 -4.994
238 HB3 ASP 41 HB1 ASP 41 7.456 4.182 -4.350
239 HA PRO 42 HA PRO 42 6.091 5.654 0.497
240 HB2 PRO 42 HB2 PRO 42 5.502 3.838 2.391
241 HB3 PRO 42 HB1 PRO 42 4.240 4.732 1.532
242 HG2 PRO 42 HG2 PRO 42 5.241 1.950 1.063
243 HG3 PRO 42 HG1 PRO 42 3.571 2.549 1.088
244 HD2 PRO 42 HD2 PRO 42 4.965 2.108 -1.209
245 HD3 PRO 42 HD1 PRO 42 3.688 3.328 -1.067
246 H ARG 43 HN ARG 43 7.435 2.765 -0.692
247 HA ARG 43 HA ARG 43 9.405 2.268 1.285
248 HB2 ARG 43 HB2 ARG 43 8.692 0.710 -0.554
249 HB3 ARG 43 HB1 ARG 43 9.581 1.719 -1.679
250 HG2 ARG 43 HG2 ARG 43 11.639 1.229 -0.346
251 HG3 ARG 43 HG1 ARG 43 10.685 0.063 0.569
252 HD2 ARG 43 HD2 ARG 43 10.174 -1.161 -1.444
253 HD3 ARG 43 HD1 ARG 43 11.007 0.037 -2.426
254 HE ARG 43 HE ARG 43 12.915 -0.869 -0.687
255 HH11 ARG 43 HH11 ARG 43 10.744 -2.344 -2.999
256 HH12 ARG 43 HH12 ARG 43 11.838 -3.631 -3.417
257 HH21 ARG 43 HH21 ARG 43 14.369 -2.554 -1.226
258 HH22 ARG 43 HH22 ARG 43 13.908 -3.752 -2.403
259 H LEU 44 HN LEU 44 9.114 4.539 -1.312
260 HA LEU 44 HA LEU 44 11.862 5.390 -1.238
261 HB2 LEU 44 HB2 LEU 44 9.420 6.630 -2.500
262 HB3 LEU 44 HB1 LEU 44 11.051 7.244 -2.686
263 HG LEU 44 HG LEU 44 10.130 4.512 -3.586
264 HD11 LEU 44 HD11 LEU 44 10.283 5.410 -5.848
265 HD12 LEU 44 HD12 LEU 44 10.680 7.000 -5.198
266 HD13 LEU 44 HD13 LEU 44 9.091 6.297 -4.898
267 HD21 LEU 44 HD21 LEU 44 12.279 4.437 -4.746
268 HD22 LEU 44 HD22 LEU 44 12.499 4.599 -3.004
269 HD23 LEU 44 HD23 LEU 44 12.710 6.001 -4.053
270 H LYS 45 HN LYS 45 8.962 6.140 0.467
271 HA LYS 45 HA LYS 45 10.275 7.877 2.287
272 HB2 LYS 45 HB2 LYS 45 8.986 9.925 1.831
273 HB3 LYS 45 HB1 LYS 45 10.030 9.501 0.482
274 HG2 LYS 45 HG2 LYS 45 8.112 8.560 -0.704
275 HG3 LYS 45 HG1 LYS 45 7.069 8.992 0.653
276 HD2 LYS 45 HD2 LYS 45 7.636 11.348 0.328
277 HD3 LYS 45 HD1 LYS 45 8.661 10.907 -1.037
278 HE2 LYS 45 HE2 LYS 45 5.682 10.500 -0.820
279 HE3 LYS 45 HE1 LYS 45 6.502 11.702 -1.815
280 HZ1 LYS 45 HZ1 LYS 45 7.472 9.953 -3.132
281 HZ2 LYS 45 HZ2 LYS 45 5.786 9.735 -3.073
282 HZ3 LYS 45 HZ3 LYS 45 6.798 8.765 -2.127
283 H ILE 46 HN ILE 46 9.289 7.655 4.170
284 HA ILE 46 HA ILE 46 6.480 6.798 4.194
285 HB ILE 46 HB ILE 46 7.779 4.808 4.568
286 HG12 ILE 46 HG12 ILE 46 7.029 4.180 6.859
287 HG13 ILE 46 HG11 ILE 46 6.626 5.869 7.154
288 HG21 ILE 46 HG21 ILE 46 9.187 6.315 6.762
289 HG22 ILE 46 HG22 ILE 46 9.888 5.771 5.238
290 HG23 ILE 46 HG23 ILE 46 9.362 4.590 6.436
291 HD11 ILE 46 HD11 ILE 46 4.655 4.582 6.582
292 HD12 ILE 46 HD12 ILE 46 5.397 4.094 5.058
293 HD13 ILE 46 HD13 ILE 46 4.992 5.788 5.341
294 H THR 112 H THR 112 -9.361 7.134 -11.742
295 HA THR 112 HA THR 112 -9.906 4.462 -10.597
296 HB THR 112 HB THR 112 -7.245 5.734 -11.298
297 HG1 THR 112 HG1 THR 112 -8.624 3.541 -12.521
298 HG21 THR 112 HG21 THR 112 -6.314 3.538 -10.737
299 HG22 THR 112 HG22 THR 112 -7.921 2.960 -10.293
300 HG23 THR 112 HG23 THR 112 -7.148 4.237 -9.350
301 H ALA 113 HN ALA 113 -9.940 4.444 -8.419
302 HA ALA 113 HA ALA 113 -8.878 6.789 -6.999
303 HB1 ALA 113 HB1 ALA 113 -11.314 7.004 -7.181
304 HB2 ALA 113 HB2 ALA 113 -10.808 6.765 -5.508
305 HB3 ALA 113 HB3 ALA 113 -11.507 5.426 -6.415
306 HA PRO 114 HA PRO 114 -6.776 3.955 -4.310
307 HB2 PRO 114 HB2 PRO 114 -7.209 5.265 -1.901
308 HB3 PRO 114 HB1 PRO 114 -5.909 5.632 -3.038
309 HG2 PRO 114 HG2 PRO 114 -8.548 6.982 -2.672
310 HG3 PRO 114 HG1 PRO 114 -6.958 7.693 -3.005
311 HD2 PRO 114 HD2 PRO 114 -8.795 7.433 -4.933
312 HD3 PRO 114 HD1 PRO 114 -7.067 7.184 -5.265
313 HA PRO 115 HA PRO 115 -10.225 1.425 -3.077
314 HB2 PRO 115 HB2 PRO 115 -8.760 -0.630 -2.047
315 HB3 PRO 115 HB1 PRO 115 -8.992 -0.380 -3.782
316 HG2 PRO 115 HG2 PRO 115 -6.664 0.367 -2.053
317 HG3 PRO 115 HG1 PRO 115 -6.670 -0.355 -3.674
318 HD2 PRO 115 HD2 PRO 115 -6.223 2.273 -3.272
319 HD3 PRO 115 HD1 PRO 115 -7.072 1.670 -4.709
320 H GLU 116 HN GLU 116 -11.431 1.459 -1.275
321 HA GLU 116 HA GLU 116 -10.611 2.595 1.138
322 HB2 GLU 116 HB2 GLU 116 -12.702 1.587 2.076
323 HB3 GLU 116 HB1 GLU 116 -12.946 2.515 0.604
324 HG2 GLU 116 HG2 GLU 116 -13.061 0.459 -0.689
325 HG3 GLU 116 HG1 GLU 116 -12.778 -0.486 0.772
326 H TYR 117 HN TYR 117 -9.349 1.844 2.689
327 HA TYR 117 HA TYR 117 -8.462 -0.912 2.503
328 HB2 TYR 117 HB2 TYR 117 -6.860 1.020 2.697
329 HB3 TYR 117 HB1 TYR 117 -7.435 1.253 4.343
330 HD1 TYR 117 HD2 TYR 117 -7.624 -1.541 5.311
331 HD2 TYR 117 HD1 TYR 117 -4.656 0.331 2.916
332 HE1 TYR 117 HE2 TYR 117 -5.973 -3.163 6.110
333 HE2 TYR 117 HE1 TYR 117 -2.999 -1.291 3.714
334 HH TYR 117 HH TYR 117 -3.861 -4.122 5.373
335 H MET 118 HN MET 118 -9.406 -2.420 3.629
336 HA MET 118 HA MET 118 -9.340 -2.330 6.453
337 HB2 MET 118 HB2 MET 118 -11.450 -1.099 6.192
338 HB3 MET 118 HB1 MET 118 -12.091 -2.365 5.156
339 HG2 MET 118 HG2 MET 118 -11.903 -3.936 7.076
340 HG3 MET 118 HG1 MET 118 -11.447 -2.563 8.086
341 HE1 MET 118 HE1 MET 118 -15.552 -3.045 6.027
342 HE2 MET 118 HE2 MET 118 -14.271 -4.258 5.973
343 HE3 MET 118 HE3 MET 118 -14.064 -2.716 5.139
344 H GLU 119 HN GLU 119 -8.364 -4.271 6.548
345 HA GLU 119 HA GLU 119 -9.495 -6.523 5.037
346 HB2 GLU 119 HB2 GLU 119 -6.848 -6.449 6.494
347 HB3 GLU 119 HB1 GLU 119 -7.373 -7.606 5.275
348 HG2 GLU 119 HG2 GLU 119 -7.142 -6.050 3.540
349 HG3 GLU 119 HG1 GLU 119 -7.035 -4.691 4.660
350 H ALA 120 HN ALA 120 -7.552 -6.626 7.959
351 HA ALA 120 HA ALA 120 -9.843 -7.763 9.417
352 HB1 ALA 120 HB1 ALA 120 -8.112 -9.449 9.002
353 HB2 ALA 120 HB2 ALA 120 -8.245 -9.083 10.723
354 HB3 ALA 120 HB3 ALA 120 -6.913 -8.413 9.779
Start of MODEL 20
1 H PHE 12 H PHE 12 12.015 -7.435 1.091
2 HA PHE 12 HA PHE 12 13.166 -5.432 1.595
3 HB2 PHE 12 HB2 PHE 12 13.996 -4.935 -0.570
4 HB3 PHE 12 HB1 PHE 12 13.465 -6.609 -0.638
5 HD1 PHE 12 HD1 PHE 12 11.417 -7.208 -1.877
6 HD2 PHE 12 HD2 PHE 12 12.956 -3.242 -1.886
7 HE1 PHE 12 HE1 PHE 12 10.027 -6.674 -3.835
8 HE2 PHE 12 HE2 PHE 12 11.565 -2.703 -3.839
9 HZ PHE 12 HZ PHE 12 10.098 -4.416 -4.812
10 H LEU 13 HN LEU 13 9.940 -4.925 1.225
11 HA LEU 13 HA LEU 13 10.233 -2.056 0.741
12 HB2 LEU 13 HB2 LEU 13 7.632 -2.148 0.873
13 HB3 LEU 13 HB1 LEU 13 8.457 -2.654 -0.585
14 HG LEU 13 HG LEU 13 6.497 -4.053 0.089
15 HD11 LEU 13 HD11 LEU 13 8.169 -4.918 -1.431
16 HD12 LEU 13 HD12 LEU 13 7.548 -6.195 -0.386
17 HD13 LEU 13 HD13 LEU 13 9.135 -5.490 -0.072
18 HD21 LEU 13 HD21 LEU 13 6.793 -4.038 2.487
19 HD22 LEU 13 HD22 LEU 13 8.308 -4.930 2.328
20 HD23 LEU 13 HD23 LEU 13 6.783 -5.692 1.875
21 HA PRO 14 HA PRO 14 9.519 -0.402 4.807
22 HB2 PRO 14 HB2 PRO 14 6.699 0.080 3.895
23 HB3 PRO 14 HB1 PRO 14 7.759 1.137 4.832
24 HG2 PRO 14 HG2 PRO 14 7.469 1.561 2.247
25 HG3 PRO 14 HG1 PRO 14 9.083 1.664 2.978
26 HD2 PRO 14 HD2 PRO 14 7.924 -0.451 1.244
27 HD3 PRO 14 HD1 PRO 14 9.605 0.087 1.396
28 H LYS 15 HN LYS 15 9.327 -1.596 6.551
29 HA LYS 15 HA LYS 15 7.853 -3.972 6.748
30 HB2 LYS 15 HB2 LYS 15 9.770 -3.668 8.134
31 HB3 LYS 15 HB1 LYS 15 9.123 -2.188 8.822
32 HG2 LYS 15 HG2 LYS 15 7.433 -3.431 10.015
33 HG3 LYS 15 HG1 LYS 15 7.957 -4.931 9.247
34 HD2 LYS 15 HD2 LYS 15 10.018 -4.916 10.397
35 HD3 LYS 15 HD1 LYS 15 9.811 -3.239 10.901
36 HE2 LYS 15 HE2 LYS 15 8.018 -5.490 11.789
37 HE3 LYS 15 HE1 LYS 15 9.423 -4.940 12.700
38 HZ1 LYS 15 HZ1 LYS 15 8.431 -2.755 12.877
39 HZ2 LYS 15 HZ2 LYS 15 7.375 -3.925 13.501
40 HZ3 LYS 15 HZ3 LYS 15 7.082 -3.251 11.972
41 H GLY 16 HN GLY 16 5.736 -4.169 6.787
42 HA2 GLY 16 HA2 GLY 16 3.782 -3.797 8.312
43 HA3 GLY 16 HA1 GLY 16 4.139 -2.084 8.138
44 H TRP 17 HN TRP 17 4.878 -2.735 5.237
45 HA TRP 17 HA TRP 17 2.129 -2.522 4.229
46 HB2 TRP 17 HB2 TRP 17 4.756 -1.698 2.990
47 HB3 TRP 17 HB1 TRP 17 3.204 -1.573 2.184
48 HD1 TRP 17 HD1 TRP 17 5.206 -0.062 5.059
49 HE1 TRP 17 HE1 TRP 17 4.241 2.256 5.612
50 HE3 TRP 17 HE3 TRP 17 1.031 -0.136 2.019
51 HZ2 TRP 17 HZ2 TRP 17 2.061 3.861 4.841
52 HZ3 TRP 17 HZ3 TRP 17 -0.372 1.843 1.978
53 HH2 TRP 17 HH2 TRP 17 0.099 3.799 3.368
54 H GLU 18 HN GLU 18 1.283 -4.091 3.103
55 HA GLU 18 HA GLU 18 2.996 -6.141 1.894
56 HB2 GLU 18 HB2 GLU 18 0.137 -6.019 2.752
57 HB3 GLU 18 HB1 GLU 18 0.576 -7.132 1.466
58 HG2 GLU 18 HG2 GLU 18 2.271 -8.124 2.976
59 HG3 GLU 18 HG1 GLU 18 1.691 -7.065 4.260
60 H VAL 19 HN VAL 19 2.936 -6.543 -0.327
61 HA VAL 19 HA VAL 19 1.844 -4.347 -1.916
62 HB VAL 19 HB VAL 19 3.614 -6.602 -2.868
63 HG11 VAL 19 HG11 VAL 19 2.403 -5.526 -4.656
64 HG12 VAL 19 HG12 VAL 19 4.105 -5.066 -4.729
65 HG13 VAL 19 HG13 VAL 19 2.913 -3.939 -4.080
66 HG21 VAL 19 HG21 VAL 19 4.396 -3.839 -1.959
67 HG22 VAL 19 HG22 VAL 19 5.473 -5.020 -2.703
68 HG23 VAL 19 HG23 VAL 19 4.758 -5.350 -1.125
69 H ARG 20 HN ARG 20 -0.239 -4.640 -2.408
70 HA ARG 20 HA ARG 20 -1.101 -7.308 -3.317
71 HB2 ARG 20 HB2 ARG 20 -2.330 -6.336 -1.370
72 HB3 ARG 20 HB1 ARG 20 -2.815 -4.986 -2.388
73 HG2 ARG 20 HG2 ARG 20 -4.013 -6.538 -3.861
74 HG3 ARG 20 HG1 ARG 20 -3.543 -7.877 -2.816
75 HD2 ARG 20 HD2 ARG 20 -5.175 -5.504 -1.919
76 HD3 ARG 20 HD1 ARG 20 -5.862 -7.038 -2.439
77 HE ARG 20 HE ARG 20 -4.739 -6.438 0.116
78 HH11 ARG 20 HH11 ARG 20 -5.212 -9.015 -2.207
79 HH12 ARG 20 HH12 ARG 20 -5.194 -10.279 -1.018
80 HH21 ARG 20 HH21 ARG 20 -4.763 -8.092 1.706
81 HH22 ARG 20 HH22 ARG 20 -4.884 -9.754 1.202
82 H HIS 21 HN HIS 21 -1.506 -7.557 -5.446
83 HA HIS 21 HA HIS 21 -1.169 -5.185 -7.110
84 HB2 HIS 21 HB2 HIS 21 0.068 -7.429 -7.460
85 HB3 HIS 21 HB1 HIS 21 -1.452 -8.002 -8.140
86 HD1 HIS 21 HD1 HIS 21 -2.201 -6.952 -10.426
87 HD2 HIS 21 HD2 HIS 21 1.533 -5.712 -9.073
88 HE1 HIS 21 HE1 HIS 21 -1.129 -5.775 -12.367
89 HE2 HIS 21 HE2 HIS 21 1.098 -4.967 -11.513
90 H ALA 22 HN ALA 22 -2.783 -4.180 -8.052
91 HA ALA 22 HA ALA 22 -5.470 -5.307 -7.844
92 HB1 ALA 22 HB1 ALA 22 -6.259 -3.078 -8.118
93 HB2 ALA 22 HB2 ALA 22 -4.686 -2.525 -8.688
94 HB3 ALA 22 HB3 ALA 22 -4.893 -3.004 -7.008
95 HA PRO 23 HA PRO 23 -5.994 -5.838 -12.276
96 HB2 PRO 23 HB2 PRO 23 -8.617 -4.517 -12.113
97 HB3 PRO 23 HB1 PRO 23 -8.228 -6.185 -12.542
98 HG2 PRO 23 HG2 PRO 23 -9.422 -5.569 -10.218
99 HG3 PRO 23 HG1 PRO 23 -8.255 -6.898 -10.347
100 HD2 PRO 23 HD2 PRO 23 -7.856 -4.122 -9.289
101 HD3 PRO 23 HD1 PRO 23 -7.269 -5.667 -8.638
102 H ASN 24 HN ASN 24 -5.558 -2.956 -10.825
103 HA ASN 24 HA ASN 24 -6.103 -1.170 -13.010
104 HB2 ASN 24 HB2 ASN 24 -4.648 -0.808 -10.405
105 HB3 ASN 24 HB1 ASN 24 -4.849 0.479 -11.590
106 HD21 ASN 24 HD21 ASN 24 -7.540 -0.447 -12.347
107 HD22 ASN 24 HD22 ASN 24 -8.578 0.020 -11.039
108 H GLY 25 HN GLY 25 -4.175 -3.560 -13.165
109 HA2 GLY 25 HA2 GLY 25 -2.070 -4.069 -13.937
110 HA3 GLY 25 HA1 GLY 25 -2.177 -2.548 -14.825
111 H ARG 26 HN ARG 26 -2.369 -2.874 -11.375
112 HA ARG 26 HA ARG 26 0.209 -1.617 -10.988
113 HB2 ARG 26 HB2 ARG 26 -1.218 0.278 -11.514
114 HB3 ARG 26 HB1 ARG 26 -2.430 -0.247 -10.359
115 HG2 ARG 26 HG2 ARG 26 -1.149 0.458 -8.578
116 HG3 ARG 26 HG1 ARG 26 0.368 0.285 -9.459
117 HD2 ARG 26 HD2 ARG 26 -0.416 2.219 -10.900
118 HD3 ARG 26 HD1 ARG 26 -1.683 2.469 -9.696
119 HE ARG 26 HE ARG 26 0.438 2.447 -8.136
120 HH11 ARG 26 HH11 ARG 26 -0.141 4.138 -11.149
121 HH12 ARG 26 HH12 ARG 26 1.091 5.334 -10.871
122 HH21 ARG 26 HH21 ARG 26 2.064 4.028 -7.759
123 HH22 ARG 26 HH22 ARG 26 2.351 5.269 -8.950
124 HA PRO 27 HA PRO 27 -0.555 -3.649 -7.039
125 HB2 PRO 27 HB2 PRO 27 2.003 -3.179 -6.091
126 HB3 PRO 27 HB1 PRO 27 1.526 -4.579 -7.041
127 HG2 PRO 27 HG2 PRO 27 3.259 -2.428 -7.796
128 HG3 PRO 27 HG1 PRO 27 2.808 -3.852 -8.742
129 HD2 PRO 27 HD2 PRO 27 1.811 -1.107 -8.925
130 HD3 PRO 27 HD1 PRO 27 1.687 -2.440 -10.090
131 H PHE 28 HN PHE 28 -1.519 -2.665 -5.345
132 HA PHE 28 HA PHE 28 -0.506 -0.028 -4.590
133 HB2 PHE 28 HB2 PHE 28 -2.601 0.280 -3.322
134 HB3 PHE 28 HB1 PHE 28 -2.868 0.030 -5.035
135 HD1 PHE 28 HD1 PHE 28 -2.797 -1.911 -1.845
136 HD2 PHE 28 HD2 PHE 28 -4.569 -1.369 -5.670
137 HE1 PHE 28 HE1 PHE 28 -4.487 -3.607 -1.298
138 HE2 PHE 28 HE2 PHE 28 -6.262 -3.080 -5.124
139 HZ PHE 28 HZ PHE 28 -6.218 -4.197 -2.941
140 H PHE 29 HN PHE 29 0.120 0.406 -2.519
141 HA PHE 29 HA PHE 29 1.139 -1.890 -1.050
142 HB2 PHE 29 HB2 PHE 29 1.598 1.087 -0.804
143 HB3 PHE 29 HB1 PHE 29 2.397 -0.121 0.201
144 HD1 PHE 29 HD2 PHE 29 3.935 -1.752 -0.853
145 HD2 PHE 29 HD1 PHE 29 2.250 1.510 -3.020
146 HE1 PHE 29 HE2 PHE 29 5.592 -2.097 -2.631
147 HE2 PHE 29 HE1 PHE 29 3.914 1.154 -4.820
148 HZ PHE 29 HZ PHE 29 5.573 -0.666 -4.621
149 H ILE 30 HN ILE 30 0.522 -2.448 1.018
150 HA ILE 30 HA ILE 30 -1.577 -0.758 2.090
151 HB ILE 30 HB ILE 30 -2.806 -2.812 2.846
152 HG12 ILE 30 HG12 ILE 30 -0.878 -4.196 0.974
153 HG13 ILE 30 HG11 ILE 30 -0.925 -4.391 2.723
154 HG21 ILE 30 HG21 ILE 30 -3.465 -1.530 0.858
155 HG22 ILE 30 HG22 ILE 30 -3.832 -3.248 0.701
156 HG23 ILE 30 HG23 ILE 30 -2.435 -2.565 -0.130
157 HD11 ILE 30 HD11 ILE 30 -1.968 -6.252 1.519
158 HD12 ILE 30 HD12 ILE 30 -3.150 -5.131 0.838
159 HD13 ILE 30 HD13 ILE 30 -3.102 -5.418 2.578
160 H ASP 31 HN ASP 31 -1.479 -0.146 4.021
161 HA ASP 31 HA ASP 31 0.544 -1.271 5.808
162 HB2 ASP 31 HB2 ASP 31 0.802 1.056 5.588
163 HB3 ASP 31 HB1 ASP 31 -0.932 1.346 5.675
164 H HIS 32 HN HIS 32 0.023 -2.445 7.524
165 HA HIS 32 HA HIS 32 -2.801 -2.875 8.120
166 HB2 HIS 32 HB2 HIS 32 -0.300 -4.305 9.034
167 HB3 HIS 32 HB1 HIS 32 -1.911 -4.706 9.612
168 HD1 HIS 32 HD1 HIS 32 -3.403 -6.088 8.081
169 HD2 HIS 32 HD2 HIS 32 0.229 -5.045 6.353
170 HE1 HIS 32 HE1 HIS 32 -3.247 -7.433 5.969
171 HE2 HIS 32 HE2 HIS 32 -0.896 -7.051 5.166
172 H ASN 33 HN ASN 33 -0.542 -0.727 9.152
173 HA ASN 33 HA ASN 33 -1.012 -1.026 12.001
174 HB2 ASN 33 HB2 ASN 33 0.592 1.055 10.507
175 HB3 ASN 33 HB1 ASN 33 0.535 0.873 12.255
176 HD21 ASN 33 HD21 ASN 33 1.763 -0.368 9.274
177 HD22 ASN 33 HD22 ASN 33 2.894 -1.486 9.972
178 H THR 34 HN THR 34 -1.559 1.500 9.540
179 HA THR 34 HA THR 34 -3.419 2.795 11.437
180 HB THR 34 HB THR 34 -1.869 4.190 9.247
181 HG1 THR 34 HG1 THR 34 -0.212 3.708 10.524
182 HG21 THR 34 HG21 THR 34 -3.820 5.399 10.117
183 HG22 THR 34 HG22 THR 34 -2.316 6.194 10.582
184 HG23 THR 34 HG23 THR 34 -3.200 5.222 11.758
185 H LYS 35 HN LYS 35 -3.742 0.788 9.099
186 HA LYS 35 HA LYS 35 -5.171 0.327 7.433
187 HB2 LYS 35 HB2 LYS 35 -6.910 2.526 8.562
188 HB3 LYS 35 HB1 LYS 35 -7.427 1.103 7.668
189 HG2 LYS 35 HG2 LYS 35 -6.131 1.011 10.385
190 HG3 LYS 35 HG1 LYS 35 -7.873 1.012 10.111
191 HD2 LYS 35 HD2 LYS 35 -6.065 -1.023 8.849
192 HD3 LYS 35 HD1 LYS 35 -6.742 -1.248 10.460
193 HE2 LYS 35 HE2 LYS 35 -8.440 -0.651 8.049
194 HE3 LYS 35 HE1 LYS 35 -8.023 -2.294 8.536
195 HZ1 LYS 35 HZ1 LYS 35 -10.162 -1.676 9.430
196 HZ2 LYS 35 HZ2 LYS 35 -9.509 -0.308 10.181
197 HZ3 LYS 35 HZ3 LYS 35 -9.052 -1.861 10.699
198 H THR 36 HN THR 36 -3.546 1.267 5.930
199 HA THR 36 HA THR 36 -4.742 3.455 4.415
200 HB THR 36 HB THR 36 -2.385 4.478 4.162
201 HG1 THR 36 HG1 THR 36 -2.072 2.815 6.430
202 HG21 THR 36 HG21 THR 36 -3.908 4.773 6.751
203 HG22 THR 36 HG22 THR 36 -4.208 5.657 5.254
204 HG23 THR 36 HG23 THR 36 -2.704 5.907 6.143
205 H THR 37 HN THR 37 -4.137 3.597 2.263
206 HA THR 37 HA THR 37 -2.395 1.475 1.209
207 HB THR 37 HB THR 37 -5.101 2.288 0.113
208 HG1 THR 37 HG1 THR 37 -4.155 -0.187 1.168
209 HG21 THR 37 HG21 THR 37 -3.085 0.326 -0.981
210 HG22 THR 37 HG22 THR 37 -3.552 1.861 -1.713
211 HG23 THR 37 HG23 THR 37 -4.726 0.551 -1.585
212 H THR 38 HN THR 38 -1.028 2.136 -0.403
213 HA THR 38 HA THR 38 -1.471 4.763 -1.610
214 HB THR 38 HB THR 38 0.087 5.243 0.144
215 HG1 THR 38 HG1 THR 38 2.096 5.353 -1.530
216 HG21 THR 38 HG21 THR 38 0.903 2.997 0.590
217 HG22 THR 38 HG22 THR 38 2.255 4.098 0.323
218 HG23 THR 38 HG23 THR 38 1.760 2.983 -0.951
219 H TRP 39 HN TRP 39 -0.843 4.997 -3.698
220 HA TRP 39 HA TRP 39 -0.234 2.540 -5.108
221 HB2 TRP 39 HB2 TRP 39 -0.747 5.343 -6.128
222 HB3 TRP 39 HB1 TRP 39 -0.501 3.934 -7.155
223 HD1 TRP 39 HD1 TRP 39 -3.119 5.710 -5.122
224 HE1 TRP 39 HE1 TRP 39 -5.354 4.481 -5.326
225 HE3 TRP 39 HE3 TRP 39 -1.503 1.453 -7.527
226 HZ2 TRP 39 HZ2 TRP 39 -6.328 2.042 -6.343
227 HZ3 TRP 39 HZ3 TRP 39 -3.172 -0.267 -8.054
228 HH2 TRP 39 HH2 TRP 39 -5.528 0.020 -7.484
229 H GLU 40 HN GLU 40 1.467 5.027 -3.687
230 HA GLU 40 HA GLU 40 3.821 4.516 -5.381
231 HB2 GLU 40 HB2 GLU 40 3.241 6.933 -3.653
232 HB3 GLU 40 HB1 GLU 40 4.655 6.708 -4.674
233 HG2 GLU 40 HG2 GLU 40 3.117 6.594 -6.640
234 HG3 GLU 40 HG1 GLU 40 1.799 7.038 -5.558
235 H ASP 41 HN ASP 41 5.630 3.769 -4.440
236 HA ASP 41 HA ASP 41 5.528 2.210 -2.182
237 HB2 ASP 41 HB2 ASP 41 7.289 2.189 -3.980
238 HB3 ASP 41 HB1 ASP 41 8.014 3.593 -3.209
239 HA PRO 42 HA PRO 42 5.259 5.211 1.148
240 HB2 PRO 42 HB2 PRO 42 5.992 3.301 3.057
241 HB3 PRO 42 HB1 PRO 42 4.351 3.739 2.577
242 HG2 PRO 42 HG2 PRO 42 6.047 1.463 1.673
243 HG3 PRO 42 HG1 PRO 42 4.300 1.529 1.952
244 HD2 PRO 42 HD2 PRO 42 5.276 1.544 -0.514
245 HD3 PRO 42 HD1 PRO 42 3.885 2.555 -0.088
246 H ARG 43 HN ARG 43 8.100 3.504 0.143
247 HA ARG 43 HA ARG 43 9.911 4.464 2.066
248 HB2 ARG 43 HB2 ARG 43 10.256 3.786 -0.844
249 HB3 ARG 43 HB1 ARG 43 11.593 4.377 0.131
250 HG2 ARG 43 HG2 ARG 43 11.219 2.484 1.688
251 HG3 ARG 43 HG1 ARG 43 9.999 1.867 0.576
252 HD2 ARG 43 HD2 ARG 43 11.648 1.635 -1.168
253 HD3 ARG 43 HD1 ARG 43 12.878 2.384 -0.149
254 HE ARG 43 HE ARG 43 11.856 -0.330 0.037
255 HH11 ARG 43 HH11 ARG 43 13.760 2.222 1.479
256 HH12 ARG 43 HH12 ARG 43 14.643 1.153 2.531
257 HH21 ARG 43 HH21 ARG 43 13.022 -1.748 1.433
258 HH22 ARG 43 HH22 ARG 43 14.225 -1.092 2.504
259 H LEU 44 HN LEU 44 8.349 6.087 -0.627
260 HA LEU 44 HA LEU 44 10.035 8.413 -0.376
261 HB2 LEU 44 HB2 LEU 44 8.512 9.476 -1.982
262 HB3 LEU 44 HB1 LEU 44 9.130 7.941 -2.547
263 HG LEU 44 HG LEU 44 6.861 6.998 -1.670
264 HD11 LEU 44 HD11 LEU 44 6.161 9.901 -2.083
265 HD12 LEU 44 HD12 LEU 44 6.111 9.031 -0.550
266 HD13 LEU 44 HD13 LEU 44 5.013 8.581 -1.856
267 HD21 LEU 44 HD21 LEU 44 5.864 7.416 -3.852
268 HD22 LEU 44 HD22 LEU 44 7.578 7.021 -3.997
269 HD23 LEU 44 HD23 LEU 44 7.041 8.695 -4.152
270 H LYS 45 HN LYS 45 7.510 7.173 1.425
271 HA LYS 45 HA LYS 45 6.297 9.681 2.188
272 HB2 LYS 45 HB2 LYS 45 6.088 6.962 3.502
273 HB3 LYS 45 HB1 LYS 45 5.067 8.353 3.840
274 HG2 LYS 45 HG2 LYS 45 5.242 6.975 1.173
275 HG3 LYS 45 HG1 LYS 45 4.002 6.662 2.387
276 HD2 LYS 45 HD2 LYS 45 4.530 9.371 1.183
277 HD3 LYS 45 HD1 LYS 45 3.320 8.242 0.576
278 HE2 LYS 45 HE2 LYS 45 2.173 8.290 2.720
279 HE3 LYS 45 HE1 LYS 45 3.412 9.363 3.372
280 HZ1 LYS 45 HZ1 LYS 45 1.401 10.551 2.680
281 HZ2 LYS 45 HZ2 LYS 45 1.633 10.013 1.085
282 HZ3 LYS 45 HZ3 LYS 45 2.766 11.048 1.806
283 H ILE 46 HN ILE 46 8.806 7.569 3.316
284 HA ILE 46 HA ILE 46 9.393 9.477 5.483
285 HB ILE 46 HB ILE 46 10.034 6.518 5.462
286 HG12 ILE 46 HG12 ILE 46 7.631 6.931 5.780
287 HG13 ILE 46 HG11 ILE 46 8.375 6.309 7.249
288 HG21 ILE 46 HG21 ILE 46 11.701 7.819 6.660
289 HG22 ILE 46 HG22 ILE 46 10.732 6.872 7.788
290 HG23 ILE 46 HG23 ILE 46 10.436 8.601 7.607
291 HD11 ILE 46 HD11 ILE 46 6.782 8.073 7.738
292 HD12 ILE 46 HD12 ILE 46 7.680 9.186 6.704
293 HD13 ILE 46 HD13 ILE 46 8.418 8.563 8.180
294 H THR 112 H THR 112 -7.036 5.052 -12.893
295 HA THR 112 HA THR 112 -7.013 2.416 -11.546
296 HB THR 112 HB THR 112 -4.755 3.418 -11.803
297 HG1 THR 112 HG1 THR 112 -4.437 3.589 -9.380
298 HG21 THR 112 HG21 THR 112 -5.370 5.781 -11.867
299 HG22 THR 112 HG22 THR 112 -4.196 5.476 -10.587
300 HG23 THR 112 HG23 THR 112 -5.899 5.700 -10.186
301 H ALA 113 HN ALA 113 -7.705 2.516 -9.328
302 HA ALA 113 HA ALA 113 -9.121 4.928 -8.498
303 HB1 ALA 113 HB1 ALA 113 -10.486 2.245 -8.674
304 HB2 ALA 113 HB2 ALA 113 -10.794 3.627 -9.726
305 HB3 ALA 113 HB3 ALA 113 -11.181 3.721 -8.006
306 HA PRO 114 HA PRO 114 -7.066 3.616 -4.768
307 HB2 PRO 114 HB2 PRO 114 -8.202 5.500 -3.136
308 HB3 PRO 114 HB1 PRO 114 -6.819 5.809 -4.190
309 HG2 PRO 114 HG2 PRO 114 -9.714 6.414 -4.639
310 HG3 PRO 114 HG1 PRO 114 -8.292 7.413 -4.992
311 HD2 PRO 114 HD2 PRO 114 -9.557 6.033 -6.915
312 HD3 PRO 114 HD1 PRO 114 -7.797 6.252 -6.929
313 HA PRO 115 HA PRO 115 -10.411 1.265 -2.951
314 HB2 PRO 115 HB2 PRO 115 -8.543 -0.556 -1.886
315 HB3 PRO 115 HB1 PRO 115 -9.426 -0.727 -3.403
316 HG2 PRO 115 HG2 PRO 115 -6.655 -0.378 -3.119
317 HG3 PRO 115 HG1 PRO 115 -7.584 -0.238 -4.620
318 HD2 PRO 115 HD2 PRO 115 -6.583 1.894 -2.800
319 HD3 PRO 115 HD1 PRO 115 -6.796 1.918 -4.564
320 H GLU 116 HN GLU 116 -11.295 1.525 -0.992
321 HA GLU 116 HA GLU 116 -9.904 2.854 1.109
322 HB2 GLU 116 HB2 GLU 116 -11.985 2.396 2.431
323 HB3 GLU 116 HB1 GLU 116 -12.270 3.229 0.913
324 HG2 GLU 116 HG2 GLU 116 -12.527 0.257 1.053
325 HG3 GLU 116 HG1 GLU 116 -13.826 1.287 1.650
326 H TYR 117 HN TYR 117 -8.614 1.971 2.606
327 HA TYR 117 HA TYR 117 -8.320 -0.911 2.576
328 HB2 TYR 117 HB2 TYR 117 -6.313 0.535 2.531
329 HB3 TYR 117 HB1 TYR 117 -6.755 1.166 4.115
330 HD1 TYR 117 HD2 TYR 117 -6.752 -0.366 6.090
331 HD2 TYR 117 HD1 TYR 117 -5.215 -1.557 2.319
332 HE1 TYR 117 HE2 TYR 117 -5.544 -2.218 7.175
333 HE2 TYR 117 HE1 TYR 117 -4.020 -3.414 3.388
334 HH TYR 117 HH TYR 117 -3.187 -4.073 5.512
335 H MET 118 HN MET 118 -9.441 -2.148 3.886
336 HA MET 118 HA MET 118 -9.354 -1.564 6.724
337 HB2 MET 118 HB2 MET 118 -11.976 -2.037 5.268
338 HB3 MET 118 HB1 MET 118 -11.788 -2.185 7.007
339 HG2 MET 118 HG2 MET 118 -11.306 0.328 5.428
340 HG3 MET 118 HG1 MET 118 -12.778 -0.048 6.321
341 HE1 MET 118 HE1 MET 118 -10.845 2.803 8.339
342 HE2 MET 118 HE2 MET 118 -12.306 2.433 7.422
343 HE3 MET 118 HE3 MET 118 -10.751 2.545 6.597
344 H GLU 119 HN GLU 119 -7.783 -3.341 5.996
345 HA GLU 119 HA GLU 119 -9.081 -5.952 5.766
346 HB2 GLU 119 HB2 GLU 119 -6.200 -5.097 5.436
347 HB3 GLU 119 HB1 GLU 119 -6.723 -6.776 5.388
348 HG2 GLU 119 HG2 GLU 119 -8.240 -6.161 3.498
349 HG3 GLU 119 HG1 GLU 119 -7.481 -4.570 3.488
350 H ALA 120 HN ALA 120 -8.373 -4.011 8.206
351 HA ALA 120 HA ALA 120 -7.998 -6.223 10.061
352 HB1 ALA 120 HB1 ALA 120 -5.728 -5.396 9.648
353 HB2 ALA 120 HB2 ALA 120 -6.238 -5.071 11.304
354 HB3 ALA 120 HB3 ALA 120 -6.234 -3.771 10.113