Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652733 | 6wqj RC | 30748 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PGL 1 -5.580 11.025 3.244
2 HA PCA 1 HA PGL 1 -5.061 8.946 4.628
3 HB2 PCA 1 HB1 PGL 1 -5.706 9.207 6.797
4 HB3 PCA 1 HB2 PGL 1 -7.400 9.028 6.266
5 HG2 PCA 1 HG1 PGL 1 -6.073 11.430 7.165
6 HG3 PCA 1 HG2 PGL 1 -7.759 11.248 6.570
7 H LYS 2 H LYS 2 -7.621 10.312 2.977
8 HA LYS 2 HA LYS 2 -9.360 8.060 2.942
9 HB2 LYS 2 HB2 LYS 2 -9.256 10.472 1.126
10 HB3 LYS 2 HB1 LYS 2 -10.564 9.300 1.208
11 HG2 LYS 2 HG2 LYS 2 -11.007 9.932 3.526
12 HG3 LYS 2 HG1 LYS 2 -9.682 11.089 3.468
13 HD2 LYS 2 HD2 LYS 2 -11.770 12.265 3.176
14 HD3 LYS 2 HD1 LYS 2 -10.880 12.298 1.659
15 HE2 LYS 2 HE2 LYS 2 -13.253 11.856 1.291
16 HE3 LYS 2 HE1 LYS 2 -12.273 10.481 0.792
17 HZ1 LYS 2 HZ1 LYS 2 -12.868 9.339 2.822
18 HZ2 LYS 2 HZ2 LYS 2 -14.258 9.826 2.049
19 HZ3 LYS 2 HZ3 LYS 2 -13.691 10.681 3.399
20 H GLU 3 H GLU 3 -7.029 9.473 0.713
21 HA GLU 3 HA GLU 3 -7.316 7.406 -1.211
22 HB2 GLU 3 HB2 GLU 3 -5.063 9.386 -0.836
23 HB3 GLU 3 HB1 GLU 3 -5.206 8.299 -2.208
24 HG2 GLU 3 HG2 GLU 3 -7.356 9.378 -2.785
25 HG3 GLU 3 HG1 GLU 3 -7.103 10.515 -1.464
26 H THR 4 H THR 4 -5.455 7.849 1.566
27 HA THR 4 HA THR 4 -3.482 5.884 1.302
28 HB THR 4 HB THR 4 -4.886 6.569 3.850
29 HG1 THR 4 HG1 THR 4 -2.971 8.294 3.633
30 HG21 THR 4 HG21 THR 4 -3.118 4.880 3.998
31 HG22 THR 4 HG22 THR 4 -2.569 6.367 4.775
32 HG23 THR 4 HG23 THR 4 -1.998 5.950 3.165
33 H GLU 5 H GLU 5 -6.798 5.769 2.513
34 HA GLU 5 HA GLU 5 -6.848 3.071 3.285
35 HB2 GLU 5 HB2 GLU 5 -8.540 4.619 4.055
36 HB3 GLU 5 HB1 GLU 5 -9.061 4.926 2.408
37 HG2 GLU 5 HG2 GLU 5 -9.878 2.657 2.210
38 HG3 GLU 5 HG1 GLU 5 -9.276 2.283 3.823
39 H ILE 6 H ILE 6 -7.862 4.662 0.295
40 HA ILE 6 HA ILE 6 -8.796 2.419 -1.128
41 HB ILE 6 HB ILE 6 -7.339 4.783 -2.337
42 HG12 ILE 6 HG12 ILE 6 -10.289 4.530 -1.757
43 HG13 ILE 6 HG11 ILE 6 -9.165 5.458 -0.768
44 HG21 ILE 6 HG21 ILE 6 -8.762 4.331 -4.297
45 HG22 ILE 6 HG22 ILE 6 -9.452 2.937 -3.467
46 HG23 ILE 6 HG23 ILE 6 -7.742 2.947 -3.897
47 HD11 ILE 6 HD11 ILE 6 -8.646 6.835 -2.711
48 HD12 ILE 6 HD12 ILE 6 -10.352 6.927 -2.247
49 HD13 ILE 6 HD13 ILE 6 -9.858 5.957 -3.645
50 H CYS 7 H CYS 7 -5.685 4.009 -1.213
51 HA CYS 7 HA CYS 7 -4.265 2.441 -2.960
52 HB2 CYS 7 HB2 CYS 7 -3.537 4.600 -2.012
53 HB3 CYS 7 HB1 CYS 7 -3.236 3.810 -0.474
54 H ARG 8 H ARG 8 -4.614 1.929 0.561
55 HA ARG 8 HA ARG 8 -3.027 -0.461 0.412
56 HB2 ARG 8 HB2 ARG 8 -2.957 0.966 2.446
57 HB3 ARG 8 HB1 ARG 8 -4.647 0.612 2.745
58 HG2 ARG 8 HG2 ARG 8 -2.612 -1.602 2.641
59 HG3 ARG 8 HG1 ARG 8 -2.825 -0.644 4.100
60 HD2 ARG 8 HD2 ARG 8 -5.180 -1.335 4.220
61 HD3 ARG 8 HD1 ARG 8 -5.007 -2.206 2.703
62 HE ARG 8 HE ARG 8 -3.716 -3.816 3.761
63 HH11 ARG 8 HH11 ARG 8 -4.889 -1.384 6.076
64 HH12 ARG 8 HH12 ARG 8 -4.659 -2.350 7.444
65 HH21 ARG 8 HH21 ARG 8 -3.363 -5.162 5.717
66 HH22 ARG 8 HH22 ARG 8 -3.780 -4.534 7.230
67 H GLN 9 H GLN 9 -6.461 0.309 0.568
68 HA GLN 9 HA GLN 9 -7.280 -2.306 1.112
69 HB2 GLN 9 HB2 GLN 9 -8.734 -0.382 1.539
70 HB3 GLN 9 HB1 GLN 9 -8.871 -0.090 -0.186
71 HG2 GLN 9 HG2 GLN 9 -10.108 -2.100 -0.507
72 HG3 GLN 9 HG1 GLN 9 -9.779 -2.632 1.141
73 HE21 GLN 9 1HE2 GLN 9 -10.904 -1.737 2.819
74 HE22 GLN 9 2HE2 GLN 9 -12.314 -0.780 2.619
75 H TRP 10 H TRP 10 -6.528 -0.715 -1.905
76 HA TRP 10 HA TRP 10 -7.522 -2.610 -3.701
77 HB2 TRP 10 HB2 TRP 10 -6.422 -0.471 -4.394
78 HB3 TRP 10 HB1 TRP 10 -4.871 -1.128 -3.880
79 HD1 TRP 10 HD TRP 10 -7.433 -1.352 -6.670
80 HE1 TRP 10 HE1 TRP 10 -6.439 -2.673 -8.638
81 HE3 TRP 10 3HE TRP 10 -3.118 -2.972 -4.483
82 HZ2 TRP 10 HZ2 TRP 10 -4.127 -4.183 -9.199
83 HZ3 TRP 10 HZ3 TRP 10 -1.572 -4.352 -5.802
84 HH2 TRP 10 HH TRP 10 -2.065 -4.943 -8.104
85 H CYS 11 H CYS 11 -4.383 -2.450 -2.107
86 HA CYS 11 HA CYS 11 -3.484 -4.979 -2.933
87 HB2 CYS 11 HB2 CYS 11 -2.635 -3.098 -0.772
88 HB3 CYS 11 HB1 CYS 11 -1.898 -4.688 -0.931
89 H GLN 12 H GLN 12 -5.440 -3.972 -0.255
90 HA GLN 12 HA GLN 12 -5.192 -6.303 1.304
91 HB2 GLN 12 HB2 GLN 12 -6.060 -4.179 2.176
92 HB3 GLN 12 HB1 GLN 12 -7.443 -4.309 1.105
93 HG2 GLN 12 HG2 GLN 12 -7.951 -4.836 3.446
94 HG3 GLN 12 HG1 GLN 12 -8.306 -6.164 2.341
95 HE21 GLN 12 1HE2 GLN 12 -7.139 -8.026 2.516
96 HE22 GLN 12 2HE2 GLN 12 -6.137 -8.397 3.876
97 H VAL 13 H VAL 13 -7.147 -5.471 -1.461
98 HA VAL 13 HA VAL 13 -8.701 -7.901 -1.295
99 HB VAL 13 HB VAL 13 -8.605 -5.754 -3.446
100 HG11 VAL 13 HG11 VAL 13 -10.550 -8.049 -3.143
101 HG12 VAL 13 HG12 VAL 13 -9.310 -7.913 -4.387
102 HG13 VAL 13 3HG1 VAL 13 -10.646 -6.762 -4.346
103 HG21 VAL 13 HG21 VAL 13 -10.794 -5.099 -2.554
104 HG22 VAL 13 HG22 VAL 13 -9.516 -4.947 -1.347
105 HG23 VAL 13 HG23 VAL 13 -10.633 -6.311 -1.284
106 H MET 14 H MET 14 -6.163 -6.538 -3.361
107 HA MET 14 HA MET 14 -6.105 -8.796 -5.083
108 HB2 MET 14 HB2 MET 14 -5.379 -6.472 -5.712
109 HB3 MET 14 HB1 MET 14 -3.920 -6.743 -4.769
110 HG2 MET 14 HG2 MET 14 -3.502 -7.132 -7.124
111 HG3 MET 14 HG1 MET 14 -3.341 -8.635 -6.210
112 HE1 MET 14 HE1 MET 14 -3.670 -8.546 -9.401
113 HE2 MET 14 HE2 MET 14 -4.830 -9.850 -9.650
114 HE3 MET 14 3HE MET 14 -3.520 -10.048 -8.487
115 H LYS 15 H LYS 15 -4.086 -7.856 -2.308
116 HA LYS 15 HA LYS 15 -3.110 -10.593 -2.189
117 HB2 LYS 15 HB2 LYS 15 -1.349 -8.127 -2.040
118 HB3 LYS 15 HB1 LYS 15 -0.839 -9.730 -1.536
119 HG2 LYS 15 HG2 LYS 15 -1.684 -8.982 -4.334
120 HG3 LYS 15 HG1 LYS 15 -0.015 -9.124 -3.776
121 HD2 LYS 15 HD2 LYS 15 -0.346 -11.481 -3.290
122 HD3 LYS 15 HD1 LYS 15 -2.050 -11.357 -3.718
123 HE2 LYS 15 HE2 LYS 15 -1.439 -10.796 -6.007
124 HE3 LYS 15 HE1 LYS 15 0.269 -10.911 -5.588
125 HZ1 LYS 15 HZ1 LYS 15 -1.679 -13.140 -5.383
126 HZ2 LYS 15 HZ2 LYS 15 -0.026 -13.236 -5.093
127 HZ3 LYS 15 HZ3 LYS 15 -0.590 -12.933 -6.645
128 HA PRO 16 HA PRO 16 -4.761 -9.097 1.777
129 HB2 PRO 16 HB2 PRO 16 -5.872 -11.746 2.103
130 HB3 PRO 16 HB1 PRO 16 -6.721 -10.213 1.892
131 HG2 PRO 16 HG2 PRO 16 -6.710 -12.191 0.006
132 HG3 PRO 16 HG1 PRO 16 -6.890 -10.472 -0.381
133 HD2 PRO 16 HD2 PRO 16 -4.461 -12.204 -0.545
134 HD3 PRO 16 HD1 PRO 16 -5.057 -10.965 -1.675
135 H GLN 17 H GLN 17 -3.283 -9.036 3.277
136 HA GLN 17 HA GLN 17 -1.690 -9.548 4.767
137 HB2 GLN 17 HB2 GLN 17 -3.701 -11.726 5.210
138 HB3 GLN 17 HB1 GLN 17 -2.278 -11.595 6.225
139 HG2 GLN 17 HG2 GLN 17 -4.305 -10.584 7.222
140 HG3 GLN 17 HG1 GLN 17 -2.984 -9.442 7.028
141 HE21 GLN 17 1HE2 GLN 17 -3.218 -7.761 5.622
142 HE22 GLN 17 2HE2 GLN 17 -4.737 -7.292 4.943
143 H GLY 18 H GLY 18 -0.124 -9.860 3.167
144 HA2 GLY 18 HA2 GLY 18 0.748 -12.670 2.924
145 HA3 GLY 18 HA1 GLY 18 1.136 -11.414 1.755
146 H GLY 19 H GLY 19 3.302 -11.580 1.888
147 HA2 GLY 19 HA2 GLY 19 4.460 -10.604 4.422
148 HA3 GLY 19 HA1 GLY 19 5.241 -11.872 3.473
149 H GLU 20 H GLU 20 5.923 -11.394 1.360
150 HA GLU 20 HA GLU 20 7.239 -8.926 1.067
151 HB2 GLU 20 HB2 GLU 20 8.013 -11.051 0.057
152 HB3 GLU 20 HB1 GLU 20 6.608 -11.059 -0.993
153 HG2 GLU 20 HG2 GLU 20 8.669 -10.351 -2.125
154 HG3 GLU 20 HG1 GLU 20 7.412 -9.116 -2.154
155 H GLU 21 H GLU 21 4.171 -10.157 0.107
156 HA GLU 21 HA GLU 21 3.302 -8.378 -1.795
157 HB2 GLU 21 HB2 GLU 21 1.758 -9.675 0.457
158 HB3 GLU 21 HB1 GLU 21 1.013 -8.828 -0.881
159 HG2 GLU 21 HG2 GLU 21 0.872 -11.212 -1.228
160 HG3 GLU 21 HG1 GLU 21 1.932 -10.495 -2.432
161 H GLN 22 H GLN 22 3.328 -8.121 1.721
162 HA GLN 22 HA GLN 22 1.898 -5.659 1.871
163 HB2 GLN 22 HB2 GLN 22 3.773 -6.872 3.902
164 HB3 GLN 22 HB1 GLN 22 2.580 -5.617 4.201
165 HG2 GLN 22 HG2 GLN 22 2.005 -8.456 3.396
166 HG3 GLN 22 HG1 GLN 22 1.846 -7.769 5.009
167 HE21 GLN 22 1HE2 GLN 22 0.673 -5.244 4.110
168 HE22 GLN 22 2HE2 GLN 22 -0.914 -5.623 3.603
169 H ARG 23 H ARG 23 5.258 -6.623 1.986
170 HA ARG 23 HA ARG 23 6.484 -4.178 2.561
171 HB2 ARG 23 HB2 ARG 23 7.553 -6.346 0.754
172 HB3 ARG 23 HB1 ARG 23 8.498 -5.119 1.581
173 HG2 ARG 23 HG2 ARG 23 7.909 -6.078 3.724
174 HG3 ARG 23 HG1 ARG 23 6.895 -7.278 2.922
175 HD2 ARG 23 HD2 ARG 23 8.943 -8.038 1.681
176 HD3 ARG 23 HD1 ARG 23 9.875 -6.960 2.710
177 HE ARG 23 HE ARG 23 8.614 -8.336 4.536
178 HH11 ARG 23 HH11 ARG 23 10.102 -9.572 1.561
179 HH12 ARG 23 HH12 ARG 23 10.615 -11.036 2.261
180 HH21 ARG 23 HH21 ARG 23 9.283 -10.385 5.476
181 HH22 ARG 23 HH22 ARG 23 10.139 -11.510 4.525
182 H ARG 24 H ARG 24 5.914 -5.680 -0.595
183 HA ARG 24 HA ARG 24 6.835 -3.524 -2.148
184 HB2 ARG 24 HB2 ARG 24 4.770 -5.584 -2.874
185 HB3 ARG 24 HB1 ARG 24 5.610 -4.538 -4.007
186 HG2 ARG 24 HG2 ARG 24 7.730 -5.582 -3.357
187 HG3 ARG 24 HG1 ARG 24 6.843 -6.659 -2.278
188 HD2 ARG 24 HD2 ARG 24 6.567 -6.465 -5.267
189 HD3 ARG 24 HD1 ARG 24 7.294 -7.784 -4.351
190 HE ARG 24 HE ARG 24 4.507 -7.173 -3.793
191 HH11 ARG 24 HH11 ARG 24 6.782 -9.195 -5.559
192 HH12 ARG 24 HH12 ARG 24 5.695 -10.489 -5.770
193 HH21 ARG 24 HH21 ARG 24 2.992 -8.846 -4.134
194 HH22 ARG 24 HH22 ARG 24 3.432 -10.286 -4.927
195 H CYS 25 H CYS 25 3.526 -4.459 -1.241
196 HA CYS 25 HA CYS 25 2.261 -2.378 -2.553
197 HB2 CYS 25 HB2 CYS 25 1.461 -4.171 -0.335
198 HB3 CYS 25 HB1 CYS 25 0.460 -2.766 -0.690
199 H GLN 26 H GLN 26 3.370 -2.462 0.821
200 HA GLN 26 HA GLN 26 2.302 0.081 1.389
201 HB2 GLN 26 HB2 GLN 26 4.428 -1.553 2.767
202 HB3 GLN 26 HB1 GLN 26 3.855 -0.013 3.388
203 HG2 GLN 26 HG2 GLN 26 1.590 -0.919 3.564
204 HG3 GLN 26 HG1 GLN 26 2.151 -2.454 2.911
205 HE21 GLN 26 1HE2 GLN 26 2.207 -0.322 5.629
206 HE22 GLN 26 2HE2 GLN 26 2.766 -1.461 6.791
207 H GLN 27 H GLN 27 5.490 -0.985 0.330
208 HA GLN 27 HA GLN 27 6.769 1.511 0.501
209 HB2 GLN 27 HB2 GLN 27 7.935 -0.655 0.227
210 HB3 GLN 27 HB1 GLN 27 7.317 -0.757 -1.415
211 HG2 GLN 27 HG2 GLN 27 8.506 1.334 -1.943
212 HG3 GLN 27 HG1 GLN 27 9.199 1.305 -0.327
213 HE21 GLN 27 1HE2 GLN 27 10.473 1.181 -2.919
214 HE22 GLN 27 2HE2 GLN 27 11.421 -0.267 -2.916
215 H GLU 28 H GLU 28 5.234 -0.127 -2.310
216 HA GLU 28 HA GLU 28 5.577 1.851 -4.193
217 HB2 GLU 28 HB2 GLU 28 4.854 -0.681 -4.160
218 HB3 GLU 28 HB1 GLU 28 3.243 -0.007 -4.076
219 HG2 GLU 28 HG2 GLU 28 5.175 0.793 -6.149
220 HG3 GLU 28 HG1 GLU 28 4.242 -0.696 -6.303
221 H CYS 29 H CYS 29 3.036 1.269 -1.803
222 HA CYS 29 HA CYS 29 1.231 3.227 -2.714
223 HB2 CYS 29 HB2 CYS 29 0.649 1.377 -1.131
224 HB3 CYS 29 HB1 CYS 29 1.566 2.211 0.116
225 H GLU 30 H GLU 30 3.697 3.311 -0.104
226 HA GLU 30 HA GLU 30 3.258 6.002 0.543
227 HB2 GLU 30 HB2 GLU 30 5.634 4.215 0.999
228 HB3 GLU 30 HB1 GLU 30 5.525 5.851 1.632
229 HG2 GLU 30 HG2 GLU 30 3.460 5.189 2.837
230 HG3 GLU 30 HG1 GLU 30 3.711 3.537 2.274
231 H GLU 31 H GLU 31 5.167 4.497 -1.895
232 HA GLU 31 HA GLU 31 6.838 6.651 -2.590
233 HB2 GLU 31 HB2 GLU 31 7.154 4.297 -3.279
234 HB3 GLU 31 HB1 GLU 31 5.730 4.414 -4.284
235 HG2 GLU 31 HG2 GLU 31 6.841 6.032 -5.706
236 HG3 GLU 31 HG1 GLU 31 8.267 5.981 -4.664
237 H ARG 32 H ARG 32 3.583 5.740 -3.538
238 HA ARG 32 HA ARG 32 3.267 7.838 -5.513
239 HB2 ARG 32 HB2 ARG 32 1.117 6.330 -4.048
240 HB3 ARG 32 HB1 ARG 32 0.937 7.234 -5.530
241 HG2 ARG 32 HG2 ARG 32 2.222 5.547 -6.713
242 HG3 ARG 32 HG1 ARG 32 2.463 4.662 -5.194
243 HD2 ARG 32 HD2 ARG 32 -0.007 4.554 -4.938
244 HD3 ARG 32 HD1 ARG 32 -0.166 5.269 -6.537
245 HE ARG 32 HE ARG 32 1.435 2.930 -6.538
246 HH11 ARG 32 HH11 ARG 32 -1.959 4.056 -6.510
247 HH12 ARG 32 HH12 ARG 32 -2.573 2.616 -7.171
248 HH21 ARG 32 HH21 ARG 32 0.552 1.005 -7.369
249 HH22 ARG 32 HH22 ARG 32 -1.118 0.829 -7.737
250 H LEU 33 H LEU 33 1.994 7.112 -2.346
251 HA LEU 33 HA LEU 33 0.287 9.365 -2.138
252 HB2 LEU 33 HB2 LEU 33 -0.176 7.170 -1.253
253 HB3 LEU 33 HB1 LEU 33 1.180 7.308 -0.164
254 HG LEU 33 HG LEU 33 -0.007 9.226 0.914
255 HD11 LEU 33 HD11 LEU 33 -1.530 9.779 -0.911
256 HD12 LEU 33 HD12 LEU 33 -2.422 9.393 0.560
257 HD13 LEU 33 HD13 LEU 33 -2.316 8.210 -0.743
258 HD21 LEU 33 HD21 LEU 33 0.075 7.016 1.870
259 HD22 LEU 33 HD22 LEU 33 -1.317 6.530 0.902
260 HD23 LEU 33 HD23 LEU 33 -1.498 7.760 2.155
261 H ARG 34 H ARG 34 3.321 8.454 -0.544
262 HA ARG 34 HA ARG 34 4.674 9.417 0.914
263 HB2 ARG 34 HB2 ARG 34 3.695 12.037 -0.274
264 HB3 ARG 34 HB1 ARG 34 5.107 11.861 0.757
265 HG2 ARG 34 HG2 ARG 34 4.751 10.606 -1.957
266 HG3 ARG 34 HG1 ARG 34 5.722 12.036 -1.599
267 HD2 ARG 34 HD2 ARG 34 7.205 10.735 -0.210
268 HD3 ARG 34 HD1 ARG 34 6.179 9.312 -0.376
269 HE ARG 34 HE ARG 34 7.002 10.280 -2.883
270 HH11 ARG 34 HH11 ARG 34 8.188 8.442 -0.098
271 HH12 ARG 34 HH12 ARG 34 9.301 7.524 -0.983
272 HH21 ARG 34 HH21 ARG 34 8.495 8.980 -4.118
273 HH22 ARG 34 HH22 ARG 34 9.468 7.825 -3.325
274 H ASP 35 H ASP 35 3.743 8.650 2.661
275 HA ASP 35 HA ASP 35 1.991 10.482 4.134
276 HB2 ASP 35 HB2 ASP 35 0.750 8.468 3.459
277 HB3 ASP 35 HB1 ASP 35 1.995 7.451 4.176
Start of MODEL 2
1 H PCA 1 H PGL 1 -5.277 9.853 5.370
2 HA PCA 1 HA PGL 1 -4.606 10.485 3.000
3 HB2 PCA 1 HB1 PGL 1 -2.405 10.038 2.620
4 HB3 PCA 1 HB2 PGL 1 -2.829 8.307 2.549
5 HG2 PCA 1 HG1 PGL 1 -1.335 9.630 4.602
6 HG3 PCA 1 HG2 PGL 1 -1.951 7.942 4.611
7 H LYS 2 H LYS 2 -6.648 9.812 2.537
8 HA LYS 2 HA LYS 2 -7.210 7.049 2.647
9 HB2 LYS 2 HB2 LYS 2 -8.921 9.417 2.066
10 HB3 LYS 2 HB1 LYS 2 -9.496 7.783 1.754
11 HG2 LYS 2 HG2 LYS 2 -9.049 7.183 4.081
12 HG3 LYS 2 HG1 LYS 2 -8.506 8.828 4.394
13 HD2 LYS 2 HD2 LYS 2 -10.711 9.681 3.933
14 HD3 LYS 2 HD1 LYS 2 -11.265 8.076 3.446
15 HE2 LYS 2 HE2 LYS 2 -10.205 8.734 6.187
16 HE3 LYS 2 HE1 LYS 2 -11.915 8.742 5.783
17 HZ1 LYS 2 HZ1 LYS 2 -10.160 6.329 5.508
18 HZ2 LYS 2 HZ2 LYS 2 -11.827 6.402 5.324
19 HZ3 LYS 2 HZ3 LYS 2 -11.141 6.657 6.827
20 H GLU 3 H GLU 3 -5.962 9.012 0.223
21 HA GLU 3 HA GLU 3 -6.863 7.390 -1.966
22 HB2 GLU 3 HB2 GLU 3 -4.306 8.992 -1.731
23 HB3 GLU 3 HB1 GLU 3 -4.924 8.305 -3.223
24 HG2 GLU 3 HG2 GLU 3 -6.189 10.494 -1.590
25 HG3 GLU 3 HG1 GLU 3 -5.356 10.675 -3.126
26 H THR 4 H THR 4 -4.244 7.416 0.167
27 HA THR 4 HA THR 4 -2.780 5.186 -0.746
28 HB THR 4 HB THR 4 -2.973 6.185 2.060
29 HG1 THR 4 HG1 THR 4 -1.711 7.351 -0.233
30 HG21 THR 4 HG21 THR 4 -1.515 4.248 1.657
31 HG22 THR 4 HG22 THR 4 -0.567 5.668 2.094
32 HG23 THR 4 HG23 THR 4 -0.656 5.151 0.410
33 H GLU 5 H GLU 5 -5.408 5.683 1.500
34 HA GLU 5 HA GLU 5 -5.648 3.152 2.648
35 HB2 GLU 5 HB2 GLU 5 -6.803 5.180 3.419
36 HB3 GLU 5 HB1 GLU 5 -7.787 5.164 1.966
37 HG2 GLU 5 HG2 GLU 5 -8.785 3.055 2.701
38 HG3 GLU 5 HG1 GLU 5 -7.811 3.130 4.174
39 H ILE 6 H ILE 6 -7.107 4.519 -0.292
40 HA ILE 6 HA ILE 6 -8.547 2.268 -1.186
41 HB ILE 6 HB ILE 6 -7.147 4.403 -2.822
42 HG12 ILE 6 HG12 ILE 6 -10.036 4.291 -1.956
43 HG13 ILE 6 HG11 ILE 6 -8.799 5.282 -1.187
44 HG21 ILE 6 HG21 ILE 6 -9.338 2.489 -3.622
45 HG22 ILE 6 HG22 ILE 6 -7.683 2.535 -4.234
46 HG23 ILE 6 HG23 ILE 6 -8.789 3.862 -4.579
47 HD11 ILE 6 HD11 ILE 6 -8.447 6.461 -3.252
48 HD12 ILE 6 HD12 ILE 6 -10.140 6.588 -2.745
49 HD13 ILE 6 HD13 ILE 6 -9.674 5.484 -4.051
50 H CYS 7 H CYS 7 -5.407 3.486 -2.171
51 HA CYS 7 HA CYS 7 -4.386 1.463 -3.734
52 HB2 CYS 7 HB2 CYS 7 -3.148 3.467 -3.538
53 HB3 CYS 7 HB1 CYS 7 -3.101 3.359 -1.788
54 H ARG 8 H ARG 8 -4.099 1.603 -0.176
55 HA ARG 8 HA ARG 8 -2.834 -0.899 -0.012
56 HB2 ARG 8 HB2 ARG 8 -2.615 0.722 1.825
57 HB3 ARG 8 HB1 ARG 8 -4.337 0.629 2.143
58 HG2 ARG 8 HG2 ARG 8 -2.645 -1.844 2.355
59 HG3 ARG 8 HG1 ARG 8 -2.655 -0.670 3.667
60 HD2 ARG 8 HD2 ARG 8 -4.934 -1.021 4.110
61 HD3 ARG 8 HD1 ARG 8 -5.214 -1.784 2.546
62 HE ARG 8 HE ARG 8 -3.582 -3.520 3.579
63 HH11 ARG 8 HH11 ARG 8 -6.198 -1.843 5.290
64 HH12 ARG 8 HH12 ARG 8 -6.632 -3.179 6.241
65 HH21 ARG 8 HH21 ARG 8 -4.173 -5.376 4.905
66 HH22 ARG 8 HH22 ARG 8 -5.443 -5.223 6.032
67 H GLN 9 H GLN 9 -6.247 0.041 0.260
68 HA GLN 9 HA GLN 9 -7.188 -2.505 0.981
69 HB2 GLN 9 HB2 GLN 9 -8.479 -0.377 1.189
70 HB3 GLN 9 HB1 GLN 9 -8.672 -0.360 -0.554
71 HG2 GLN 9 HG2 GLN 9 -9.980 -2.380 -0.474
72 HG3 GLN 9 HG1 GLN 9 -9.691 -2.536 1.258
73 HE21 GLN 9 1HE2 GLN 9 -10.741 -1.145 2.670
74 HE22 GLN 9 2HE2 GLN 9 -12.107 -0.211 2.183
75 H TRP 10 H TRP 10 -6.459 -1.093 -2.111
76 HA TRP 10 HA TRP 10 -7.450 -3.154 -3.718
77 HB2 TRP 10 HB2 TRP 10 -5.566 -0.935 -4.054
78 HB3 TRP 10 HB1 TRP 10 -5.331 -2.237 -5.200
79 HD1 TRP 10 HD TRP 10 -7.842 0.438 -4.160
80 HE1 TRP 10 HE1 TRP 10 -9.617 0.669 -6.019
81 HE3 TRP 10 3HE TRP 10 -6.487 -3.520 -7.073
82 HZ2 TRP 10 HZ2 TRP 10 -10.339 -0.660 -8.385
83 HZ3 TRP 10 HZ3 TRP 10 -7.776 -3.969 -9.116
84 HH2 TRP 10 HH TRP 10 -9.657 -2.571 -9.756
85 H CYS 11 H CYS 11 -4.130 -2.702 -2.530
86 HA CYS 11 HA CYS 11 -3.233 -5.228 -3.418
87 HB2 CYS 11 HB2 CYS 11 -2.186 -3.199 -1.504
88 HB3 CYS 11 HB1 CYS 11 -1.455 -4.798 -1.529
89 H GLN 12 H GLN 12 -4.817 -4.227 -0.516
90 HA GLN 12 HA GLN 12 -4.485 -6.348 1.190
91 HB2 GLN 12 HB2 GLN 12 -5.615 -4.310 1.777
92 HB3 GLN 12 HB1 GLN 12 -6.877 -4.632 0.604
93 HG2 GLN 12 HG2 GLN 12 -7.534 -6.605 1.945
94 HG3 GLN 12 HG1 GLN 12 -6.355 -6.107 3.164
95 HE21 GLN 12 1HE2 GLN 12 -9.283 -6.287 3.238
96 HE22 GLN 12 2HE2 GLN 12 -9.826 -4.731 3.724
97 H VAL 13 H VAL 13 -6.866 -5.882 -1.394
98 HA VAL 13 HA VAL 13 -7.982 -8.523 -1.017
99 HB VAL 13 HB VAL 13 -8.637 -6.410 -3.092
100 HG11 VAL 13 HG11 VAL 13 -9.283 -8.635 -3.861
101 HG12 VAL 13 HG12 VAL 13 -10.707 -7.670 -3.470
102 HG13 VAL 13 3HG1 VAL 13 -10.152 -8.914 -2.351
103 HG21 VAL 13 HG21 VAL 13 -9.999 -7.119 -0.497
104 HG22 VAL 13 HG22 VAL 13 -10.634 -6.008 -1.706
105 HG23 VAL 13 HG23 VAL 13 -9.133 -5.625 -0.862
106 H MET 14 H MET 14 -6.174 -6.800 -3.522
107 HA MET 14 HA MET 14 -6.247 -8.825 -5.475
108 HB2 MET 14 HB2 MET 14 -5.873 -6.474 -6.004
109 HB3 MET 14 HB1 MET 14 -4.339 -6.507 -5.155
110 HG2 MET 14 HG2 MET 14 -4.025 -6.580 -7.564
111 HG3 MET 14 HG1 MET 14 -3.449 -8.064 -6.808
112 HE1 MET 14 HE1 MET 14 -4.022 -7.722 -9.951
113 HE2 MET 14 HE2 MET 14 -4.790 -9.274 -10.291
114 HE3 MET 14 3HE MET 14 -3.398 -9.195 -9.212
115 H LYS 15 H LYS 15 -4.069 -8.387 -2.770
116 HA LYS 15 HA LYS 15 -2.374 -10.484 -3.908
117 HB2 LYS 15 HB2 LYS 15 -1.654 -8.235 -2.040
118 HB3 LYS 15 HB1 LYS 15 -0.574 -9.577 -2.391
119 HG2 LYS 15 HG2 LYS 15 -1.678 -7.665 -4.442
120 HG3 LYS 15 HG1 LYS 15 -0.064 -7.576 -3.725
121 HD2 LYS 15 HD2 LYS 15 0.461 -9.798 -4.628
122 HD3 LYS 15 HD1 LYS 15 -1.158 -9.907 -5.287
123 HE2 LYS 15 HE2 LYS 15 -0.745 -8.117 -6.798
124 HE3 LYS 15 HE1 LYS 15 0.833 -7.799 -6.065
125 HZ1 LYS 15 HZ1 LYS 15 1.595 -9.902 -6.771
126 HZ2 LYS 15 HZ2 LYS 15 0.988 -9.133 -8.132
127 HZ3 LYS 15 HZ3 LYS 15 0.097 -10.362 -7.375
128 HA PRO 16 HA PRO 16 -3.638 -12.695 -0.219
129 HB2 PRO 16 HB2 PRO 16 -4.534 -14.897 -1.481
130 HB3 PRO 16 HB1 PRO 16 -5.506 -13.432 -1.323
131 HG2 PRO 16 HG2 PRO 16 -4.310 -14.583 -3.725
132 HG3 PRO 16 HG1 PRO 16 -5.495 -13.275 -3.595
133 HD2 PRO 16 HD2 PRO 16 -2.572 -13.118 -3.922
134 HD3 PRO 16 HD1 PRO 16 -3.810 -11.866 -4.183
135 H GLN 17 H GLN 17 -2.300 -13.921 0.938
136 HA GLN 17 HA GLN 17 -0.978 -15.587 1.697
137 HB2 GLN 17 HB2 GLN 17 -1.187 -16.746 -1.057
138 HB3 GLN 17 HB1 GLN 17 -0.585 -17.601 0.358
139 HG2 GLN 17 HG2 GLN 17 -2.767 -17.452 1.399
140 HG3 GLN 17 HG1 GLN 17 -3.359 -16.478 0.057
141 HE21 GLN 17 1HE2 GLN 17 -1.951 -18.153 -1.946
142 HE22 GLN 17 2HE2 GLN 17 -2.877 -19.598 -2.037
143 H GLY 18 H GLY 18 0.139 -13.724 -0.927
144 HA2 GLY 18 HA2 GLY 18 2.844 -14.800 -0.760
145 HA3 GLY 18 HA1 GLY 18 2.276 -13.544 -1.857
146 H GLY 19 H GLY 19 3.923 -14.199 1.022
147 HA2 GLY 19 HA2 GLY 19 3.463 -11.848 2.508
148 HA3 GLY 19 HA1 GLY 19 4.888 -12.868 2.644
149 H GLU 20 H GLU 20 5.677 -12.519 -0.067
150 HA GLU 20 HA GLU 20 7.325 -10.242 0.117
151 HB2 GLU 20 HB2 GLU 20 6.536 -11.784 -2.373
152 HB3 GLU 20 HB1 GLU 20 7.872 -10.658 -2.258
153 HG2 GLU 20 HG2 GLU 20 8.681 -12.931 -2.226
154 HG3 GLU 20 HG1 GLU 20 8.985 -12.168 -0.667
155 H GLU 21 H GLU 21 4.391 -10.932 -1.620
156 HA GLU 21 HA GLU 21 4.115 -8.510 -3.020
157 HB2 GLU 21 HB2 GLU 21 1.921 -10.328 -2.045
158 HB3 GLU 21 HB1 GLU 21 1.838 -9.178 -3.371
159 HG2 GLU 21 HG2 GLU 21 3.528 -11.672 -3.290
160 HG3 GLU 21 HG1 GLU 21 2.019 -11.473 -4.175
161 H GLN 22 H GLN 22 2.998 -9.641 0.105
162 HA GLN 22 HA GLN 22 1.330 -7.543 0.866
163 HB2 GLN 22 HB2 GLN 22 3.125 -9.237 2.604
164 HB3 GLN 22 HB1 GLN 22 1.859 -8.187 3.209
165 HG2 GLN 22 HG2 GLN 22 1.504 -10.611 1.464
166 HG3 GLN 22 HG1 GLN 22 1.114 -10.474 3.179
167 HE21 GLN 22 1HE2 GLN 22 -0.636 -9.236 3.791
168 HE22 GLN 22 2HE2 GLN 22 -1.884 -8.815 2.674
169 H ARG 23 H ARG 23 4.759 -8.007 1.680
170 HA ARG 23 HA ARG 23 5.024 -5.505 2.893
171 HB2 ARG 23 HB2 ARG 23 6.501 -7.380 3.411
172 HB3 ARG 23 HB1 ARG 23 7.132 -7.353 1.769
173 HG2 ARG 23 HG2 ARG 23 8.009 -5.136 2.126
174 HG3 ARG 23 HG1 ARG 23 7.361 -5.137 3.767
175 HD2 ARG 23 HD2 ARG 23 8.825 -6.957 4.384
176 HD3 ARG 23 HD1 ARG 23 9.412 -7.096 2.725
177 HE ARG 23 HE ARG 23 9.725 -4.501 3.877
178 HH11 ARG 23 HH11 ARG 23 11.261 -7.687 3.666
179 HH12 ARG 23 HH12 ARG 23 12.842 -7.067 3.739
180 HH21 ARG 23 HH21 ARG 23 11.935 -3.670 3.981
181 HH22 ARG 23 HH22 ARG 23 13.236 -4.779 3.907
182 H ARG 24 H ARG 24 5.646 -6.657 -0.412
183 HA ARG 24 HA ARG 24 7.009 -4.435 -1.388
184 HB2 ARG 24 HB2 ARG 24 6.544 -6.643 -2.599
185 HB3 ARG 24 HB1 ARG 24 4.985 -5.948 -3.017
186 HG2 ARG 24 HG2 ARG 24 6.263 -3.984 -3.985
187 HG3 ARG 24 HG1 ARG 24 7.707 -4.984 -3.842
188 HD2 ARG 24 HD2 ARG 24 6.922 -5.253 -6.036
189 HD3 ARG 24 HD1 ARG 24 6.468 -6.721 -5.176
190 HE ARG 24 HE ARG 24 4.607 -4.491 -5.492
191 HH11 ARG 24 HH11 ARG 24 5.339 -7.940 -5.822
192 HH12 ARG 24 HH12 ARG 24 3.865 -8.367 -6.509
193 HH21 ARG 24 HH21 ARG 24 2.546 -5.053 -6.490
194 HH22 ARG 24 HH22 ARG 24 2.271 -6.639 -7.021
195 H CYS 25 H CYS 25 3.537 -5.167 -1.517
196 HA CYS 25 HA CYS 25 2.667 -2.826 -2.673
197 HB2 CYS 25 HB2 CYS 25 1.368 -4.861 -0.956
198 HB3 CYS 25 HB1 CYS 25 0.514 -3.353 -1.264
199 H GLN 26 H GLN 26 3.217 -3.467 0.766
200 HA GLN 26 HA GLN 26 2.104 -1.039 1.663
201 HB2 GLN 26 HB2 GLN 26 2.519 -2.895 3.191
202 HB3 GLN 26 HB1 GLN 26 4.245 -2.782 2.892
203 HG2 GLN 26 HG2 GLN 26 4.286 -0.568 3.902
204 HG3 GLN 26 HG1 GLN 26 2.552 -0.669 4.203
205 HE21 GLN 26 1HE2 GLN 26 4.832 -0.395 6.005
206 HE22 GLN 26 2HE2 GLN 26 4.684 -1.673 7.156
207 H GLN 27 H GLN 27 5.401 -1.997 0.889
208 HA GLN 27 HA GLN 27 6.598 0.456 1.545
209 HB2 GLN 27 HB2 GLN 27 7.850 -1.611 1.446
210 HB3 GLN 27 HB1 GLN 27 7.527 -1.760 -0.272
211 HG2 GLN 27 HG2 GLN 27 8.850 0.230 -0.704
212 HG3 GLN 27 HG1 GLN 27 9.128 0.425 1.026
213 HE21 GLN 27 1HE2 GLN 27 10.984 0.037 -1.149
214 HE22 GLN 27 2HE2 GLN 27 11.936 -1.343 -0.749
215 H GLU 28 H GLU 28 5.371 -0.797 -1.560
216 HA GLU 28 HA GLU 28 6.340 1.501 -2.948
217 HB2 GLU 28 HB2 GLU 28 5.235 0.638 -4.937
218 HB3 GLU 28 HB1 GLU 28 6.157 -0.622 -4.136
219 HG2 GLU 28 HG2 GLU 28 4.118 -1.533 -3.207
220 HG3 GLU 28 HG1 GLU 28 3.174 -0.264 -3.993
221 H CYS 29 H CYS 29 3.361 0.696 -1.355
222 HA CYS 29 HA CYS 29 1.911 2.779 -2.626
223 HB2 CYS 29 HB2 CYS 29 0.878 0.762 -1.484
224 HB3 CYS 29 HB1 CYS 29 1.272 1.513 0.055
225 H GLU 30 H GLU 30 3.878 2.512 0.291
226 HA GLU 30 HA GLU 30 3.512 5.133 1.259
227 HB2 GLU 30 HB2 GLU 30 5.873 3.254 1.369
228 HB3 GLU 30 HB1 GLU 30 5.899 4.835 2.133
229 HG2 GLU 30 HG2 GLU 30 3.927 2.653 2.764
230 HG3 GLU 30 HG1 GLU 30 5.399 2.988 3.676
231 H GLU 31 H GLU 31 5.768 3.748 -1.032
232 HA GLU 31 HA GLU 31 7.270 5.997 -1.716
233 HB2 GLU 31 HB2 GLU 31 7.888 3.710 -2.289
234 HB3 GLU 31 HB1 GLU 31 6.484 3.575 -3.327
235 HG2 GLU 31 HG2 GLU 31 7.423 5.166 -4.868
236 HG3 GLU 31 HG1 GLU 31 8.798 5.433 -3.797
237 H ARG 32 H ARG 32 4.238 4.793 -2.972
238 HA ARG 32 HA ARG 32 3.881 6.592 -5.101
239 HB2 ARG 32 HB2 ARG 32 2.680 4.463 -4.842
240 HB3 ARG 32 HB1 ARG 32 1.837 5.107 -3.447
241 HG2 ARG 32 HG2 ARG 32 0.401 5.133 -5.387
242 HG3 ARG 32 HG1 ARG 32 0.770 6.786 -4.886
243 HD2 ARG 32 HD2 ARG 32 0.888 6.511 -7.317
244 HD3 ARG 32 HD1 ARG 32 2.451 6.956 -6.632
245 HE ARG 32 HE ARG 32 2.150 4.151 -6.819
246 HH11 ARG 32 HH11 ARG 32 2.892 7.015 -8.750
247 HH12 ARG 32 HH12 ARG 32 3.725 6.156 -9.963
248 HH21 ARG 32 HH21 ARG 32 3.357 2.977 -8.434
249 HH22 ARG 32 HH22 ARG 32 4.008 3.782 -9.781
250 H LEU 33 H LEU 33 2.895 6.686 -1.722
251 HA LEU 33 HA LEU 33 1.352 9.077 -1.965
252 HB2 LEU 33 HB2 LEU 33 0.822 7.493 -0.239
253 HB3 LEU 33 HB1 LEU 33 2.430 7.623 0.438
254 HG LEU 33 HG LEU 33 1.946 9.965 1.080
255 HD11 LEU 33 HD11 LEU 33 -0.344 10.793 1.045
256 HD12 LEU 33 HD12 LEU 33 -0.856 9.361 0.156
257 HD13 LEU 33 HD13 LEU 33 0.261 10.509 -0.587
258 HD21 LEU 33 HD21 LEU 33 1.645 8.158 2.671
259 HD22 LEU 33 HD22 LEU 33 -0.011 7.924 2.108
260 HD23 LEU 33 HD23 LEU 33 0.441 9.422 2.921
261 H ARG 34 H ARG 34 4.588 8.370 -0.818
262 HA ARG 34 HA ARG 34 5.119 10.998 0.123
263 HB2 ARG 34 HB2 ARG 34 7.055 8.809 -0.621
264 HB3 ARG 34 HB1 ARG 34 7.452 10.255 0.299
265 HG2 ARG 34 HG2 ARG 34 5.994 9.559 2.083
266 HG3 ARG 34 HG1 ARG 34 5.478 8.157 1.144
267 HD2 ARG 34 HD2 ARG 34 7.882 7.446 1.116
268 HD3 ARG 34 HD1 ARG 34 8.192 8.727 2.293
269 HE ARG 34 HE ARG 34 6.061 7.234 3.206
270 HH11 ARG 34 HH11 ARG 34 9.526 6.879 2.705
271 HH12 ARG 34 HH12 ARG 34 9.716 5.603 3.826
272 HH21 ARG 34 HH21 ARG 34 6.286 5.418 4.702
273 HH22 ARG 34 HH22 ARG 34 7.819 4.758 5.006
274 H ASP 35 H ASP 35 5.445 12.705 -0.999
275 HA ASP 35 HA ASP 35 5.846 12.728 -3.816
276 HB2 ASP 35 HB2 ASP 35 6.104 14.965 -1.784
277 HB3 ASP 35 HB1 ASP 35 6.131 15.186 -3.528
Start of MODEL 3
1 H PCA 1 H PGL 1 -7.068 11.888 1.130
2 HA PCA 1 HA PGL 1 -6.212 10.198 2.794
3 HB2 PCA 1 HB1 PGL 1 -7.112 10.523 4.858
4 HB3 PCA 1 HB2 PGL 1 -8.639 9.824 4.257
5 HG2 PCA 1 HG1 PGL 1 -8.055 12.604 4.861
6 HG3 PCA 1 HG2 PGL 1 -9.592 11.890 4.262
7 H LYS 2 H LYS 2 -8.826 10.564 0.701
8 HA LYS 2 HA LYS 2 -9.852 7.926 0.843
9 HB2 LYS 2 HB2 LYS 2 -10.020 9.961 -1.386
10 HB3 LYS 2 HB1 LYS 2 -10.935 8.469 -1.306
11 HG2 LYS 2 HG2 LYS 2 -11.992 9.253 0.776
12 HG3 LYS 2 HG1 LYS 2 -11.123 10.778 0.613
13 HD2 LYS 2 HD2 LYS 2 -12.231 11.150 -1.552
14 HD3 LYS 2 HD1 LYS 2 -13.121 9.641 -1.340
15 HE2 LYS 2 HE2 LYS 2 -14.549 11.471 -0.691
16 HE3 LYS 2 HE1 LYS 2 -14.090 10.561 0.745
17 HZ1 LYS 2 HZ1 LYS 2 -12.855 13.108 -0.139
18 HZ2 LYS 2 HZ2 LYS 2 -12.434 12.249 1.245
19 HZ3 LYS 2 HZ3 LYS 2 -13.962 12.933 1.120
20 H GLU 3 H GLU 3 -7.229 9.457 -0.776
21 HA GLU 3 HA GLU 3 -6.680 7.361 -2.606
22 HB2 GLU 3 HB2 GLU 3 -4.825 9.470 -1.502
23 HB3 GLU 3 HB1 GLU 3 -4.488 8.443 -2.887
24 HG2 GLU 3 HG2 GLU 3 -6.341 9.428 -4.094
25 HG3 GLU 3 HG1 GLU 3 -6.724 10.443 -2.707
26 H THR 4 H THR 4 -6.022 7.924 0.645
27 HA THR 4 HA THR 4 -3.961 5.971 1.015
28 HB THR 4 HB THR 4 -5.859 7.048 3.066
29 HG1 THR 4 HG1 THR 4 -4.087 8.742 3.224
30 HG21 THR 4 HG21 THR 4 -2.939 6.243 3.211
31 HG22 THR 4 HG22 THR 4 -4.297 5.302 3.821
32 HG23 THR 4 HG23 THR 4 -3.896 6.851 4.563
33 H GLU 5 H GLU 5 -7.448 6.213 1.447
34 HA GLU 5 HA GLU 5 -8.080 3.798 2.645
35 HB2 GLU 5 HB2 GLU 5 -9.586 5.722 2.320
36 HB3 GLU 5 HB1 GLU 5 -9.635 5.374 0.601
37 HG2 GLU 5 HG2 GLU 5 -11.627 4.521 1.522
38 HG3 GLU 5 HG1 GLU 5 -10.586 3.138 1.193
39 H ILE 6 H ILE 6 -8.116 4.653 -0.826
40 HA ILE 6 HA ILE 6 -8.678 2.000 -1.642
41 HB ILE 6 HB ILE 6 -8.055 2.741 -3.948
42 HG12 ILE 6 HG12 ILE 6 -7.675 5.442 -2.632
43 HG13 ILE 6 HG11 ILE 6 -6.379 4.449 -3.281
44 HG21 ILE 6 HG21 ILE 6 -9.970 4.258 -4.207
45 HG22 ILE 6 HG22 ILE 6 -10.067 4.405 -2.448
46 HG23 ILE 6 HG23 ILE 6 -10.320 2.838 -3.228
47 HD11 ILE 6 HD11 ILE 6 -8.628 5.696 -4.838
48 HD12 ILE 6 HD12 ILE 6 -7.361 4.671 -5.514
49 HD13 ILE 6 HD13 ILE 6 -6.948 6.233 -4.804
50 H CYS 7 H CYS 7 -5.720 3.776 -1.205
51 HA CYS 7 HA CYS 7 -3.949 2.136 -2.578
52 HB2 CYS 7 HB2 CYS 7 -3.505 4.401 -1.519
53 HB3 CYS 7 HB1 CYS 7 -3.385 3.572 0.022
54 H ARG 8 H ARG 8 -5.158 1.898 0.754
55 HA ARG 8 HA ARG 8 -3.671 -0.519 1.155
56 HB2 ARG 8 HB2 ARG 8 -4.107 0.937 3.085
57 HB3 ARG 8 HB1 ARG 8 -5.837 0.668 2.903
58 HG2 ARG 8 HG2 ARG 8 -4.925 -0.706 4.703
59 HG3 ARG 8 HG1 ARG 8 -5.522 -1.716 3.383
60 HD2 ARG 8 HD2 ARG 8 -3.239 -1.965 2.536
61 HD3 ARG 8 HD1 ARG 8 -2.632 -0.949 3.837
62 HE ARG 8 HE ARG 8 -3.788 -3.638 4.115
63 HH11 ARG 8 HH11 ARG 8 -1.874 -0.970 5.488
64 HH12 ARG 8 HH12 ARG 8 -1.119 -1.939 6.664
65 HH21 ARG 8 HH21 ARG 8 -2.738 -4.932 5.761
66 HH22 ARG 8 HH22 ARG 8 -1.607 -4.215 6.834
67 H GLN 9 H GLN 9 -7.125 0.295 0.716
68 HA GLN 9 HA GLN 9 -8.171 -2.243 1.115
69 HB2 GLN 9 HB2 GLN 9 -9.541 -0.180 0.993
70 HB3 GLN 9 HB1 GLN 9 -9.257 -0.121 -0.738
71 HG2 GLN 9 HG2 GLN 9 -10.397 -2.281 -0.995
72 HG3 GLN 9 HG1 GLN 9 -10.713 -2.312 0.735
73 HE21 GLN 9 1HE2 GLN 9 -12.923 -2.351 0.449
74 HE22 GLN 9 2HE2 GLN 9 -13.823 -0.993 -0.107
75 H TRP 10 H TRP 10 -6.888 -0.800 -1.831
76 HA TRP 10 HA TRP 10 -7.827 -2.671 -3.652
77 HB2 TRP 10 HB2 TRP 10 -6.636 -0.416 -4.058
78 HB3 TRP 10 HB1 TRP 10 -5.143 -1.319 -3.902
79 HD1 TRP 10 HD TRP 10 -8.237 -1.050 -6.132
80 HE1 TRP 10 HE1 TRP 10 -7.673 -2.014 -8.448
81 HE3 TRP 10 3HE TRP 10 -3.594 -2.884 -5.115
82 HZ2 TRP 10 HZ2 TRP 10 -5.519 -3.372 -9.683
83 HZ3 TRP 10 HZ3 TRP 10 -2.341 -3.997 -6.915
84 HH2 TRP 10 HH TRP 10 -3.288 -4.236 -9.144
85 H CYS 11 H CYS 11 -4.709 -2.583 -1.955
86 HA CYS 11 HA CYS 11 -3.919 -5.154 -2.876
87 HB2 CYS 11 HB2 CYS 11 -2.831 -3.249 -0.850
88 HB3 CYS 11 HB1 CYS 11 -2.190 -4.884 -0.972
89 H GLN 12 H GLN 12 -5.502 -3.978 0.017
90 HA GLN 12 HA GLN 12 -5.248 -6.203 1.655
91 HB2 GLN 12 HB2 GLN 12 -6.055 -4.003 2.389
92 HB3 GLN 12 HB1 GLN 12 -7.537 -4.249 1.481
93 HG2 GLN 12 HG2 GLN 12 -8.131 -6.114 2.916
94 HG3 GLN 12 HG1 GLN 12 -6.630 -5.918 3.818
95 HE21 GLN 12 1HE2 GLN 12 -7.707 -5.533 5.724
96 HE22 GLN 12 2HE2 GLN 12 -8.536 -4.056 6.036
97 H VAL 13 H VAL 13 -7.659 -5.386 -0.803
98 HA VAL 13 HA VAL 13 -9.165 -7.820 -0.445
99 HB VAL 13 HB VAL 13 -9.360 -5.620 -2.538
100 HG11 VAL 13 HG11 VAL 13 -11.261 -7.925 -2.066
101 HG12 VAL 13 HG12 VAL 13 -10.228 -7.711 -3.476
102 HG13 VAL 13 3HG1 VAL 13 -11.536 -6.570 -3.161
103 HG21 VAL 13 HG21 VAL 13 -11.390 -4.977 -1.315
104 HG22 VAL 13 HG22 VAL 13 -9.950 -4.896 -0.299
105 HG23 VAL 13 HG23 VAL 13 -11.070 -6.248 -0.136
106 H MET 14 H MET 14 -6.626 -6.659 -2.496
107 HA MET 14 HA MET 14 -6.747 -8.585 -4.560
108 HB2 MET 14 HB2 MET 14 -5.475 -6.495 -4.734
109 HB3 MET 14 HB1 MET 14 -4.417 -7.038 -3.445
110 HG2 MET 14 HG2 MET 14 -3.573 -8.816 -4.866
111 HG3 MET 14 HG1 MET 14 -4.654 -8.299 -6.163
112 HE1 MET 14 HE1 MET 14 -1.446 -8.607 -6.436
113 HE2 MET 14 HE2 MET 14 -1.110 -7.186 -7.430
114 HE3 MET 14 3HE MET 14 -2.530 -8.182 -7.759
115 H LYS 15 H LYS 15 -4.630 -8.416 -1.691
116 HA LYS 15 HA LYS 15 -4.741 -11.285 -1.437
117 HB2 LYS 15 HB2 LYS 15 -2.132 -9.783 -1.771
118 HB3 LYS 15 HB1 LYS 15 -2.222 -11.377 -1.054
119 HG2 LYS 15 HG2 LYS 15 -2.980 -10.645 -3.888
120 HG3 LYS 15 HG1 LYS 15 -1.520 -11.492 -3.382
121 HD2 LYS 15 HD2 LYS 15 -4.353 -12.522 -3.036
122 HD3 LYS 15 HD1 LYS 15 -3.245 -13.010 -4.306
123 HE2 LYS 15 HE2 LYS 15 -2.726 -13.378 -1.354
124 HE3 LYS 15 HE1 LYS 15 -3.402 -14.612 -2.401
125 HZ1 LYS 15 HZ1 LYS 15 -0.700 -13.378 -2.741
126 HZ2 LYS 15 HZ2 LYS 15 -1.349 -14.609 -3.695
127 HZ3 LYS 15 HZ3 LYS 15 -1.019 -14.887 -2.084
128 HA PRO 16 HA PRO 16 -5.092 -9.304 2.603
129 HB2 PRO 16 HB2 PRO 16 -6.632 -11.667 3.306
130 HB3 PRO 16 HB1 PRO 16 -7.171 -9.988 3.238
131 HG2 PRO 16 HG2 PRO 16 -8.016 -11.897 1.485
132 HG3 PRO 16 HG1 PRO 16 -7.906 -10.178 1.076
133 HD2 PRO 16 HD2 PRO 16 -6.027 -12.405 0.407
134 HD3 PRO 16 HD1 PRO 16 -6.559 -11.024 -0.580
135 H GLN 17 H GLN 17 -3.420 -9.583 3.896
136 HA GLN 17 HA GLN 17 -1.908 -10.435 5.256
137 HB2 GLN 17 HB2 GLN 17 -3.486 -13.004 5.041
138 HB3 GLN 17 HB1 GLN 17 -2.176 -12.720 6.175
139 HG2 GLN 17 HG2 GLN 17 -3.467 -10.937 7.227
140 HG3 GLN 17 HG1 GLN 17 -4.779 -11.217 6.081
141 HE21 GLN 17 1HE2 GLN 17 -6.056 -13.061 6.294
142 HE22 GLN 17 2HE2 GLN 17 -6.000 -14.042 7.704
143 H GLY 18 H GLY 18 -0.321 -12.419 5.425
144 HA2 GLY 18 HA2 GLY 18 0.775 -14.065 3.889
145 HA3 GLY 18 HA1 GLY 18 0.725 -12.763 2.699
146 H GLY 19 H GLY 19 2.930 -12.565 2.465
147 HA2 GLY 19 HA2 GLY 19 4.258 -11.263 4.717
148 HA3 GLY 19 HA1 GLY 19 5.021 -12.680 4.011
149 H GLU 20 H GLU 20 5.365 -12.548 1.600
150 HA GLU 20 HA GLU 20 7.084 -10.359 1.166
151 HB2 GLU 20 HB2 GLU 20 7.353 -12.686 0.243
152 HB3 GLU 20 HB1 GLU 20 6.096 -12.297 -0.923
153 HG2 GLU 20 HG2 GLU 20 8.328 -12.053 -1.875
154 HG3 GLU 20 HG1 GLU 20 7.464 -10.513 -1.836
155 H GLU 21 H GLU 21 3.911 -11.146 -0.180
156 HA GLU 21 HA GLU 21 3.756 -9.003 -2.023
157 HB2 GLU 21 HB2 GLU 21 1.507 -10.377 -0.569
158 HB3 GLU 21 HB1 GLU 21 1.372 -9.429 -2.038
159 HG2 GLU 21 HG2 GLU 21 2.565 -11.049 -3.290
160 HG3 GLU 21 HG1 GLU 21 2.991 -11.949 -1.830
161 H GLN 22 H GLN 22 3.271 -9.252 1.383
162 HA GLN 22 HA GLN 22 1.664 -6.914 1.654
163 HB2 GLN 22 HB2 GLN 22 3.318 -8.306 3.768
164 HB3 GLN 22 HB1 GLN 22 2.046 -7.129 4.056
165 HG2 GLN 22 HG2 GLN 22 1.726 -9.895 2.911
166 HG3 GLN 22 HG1 GLN 22 1.228 -9.343 4.505
167 HE21 GLN 22 1HE2 GLN 22 0.487 -9.389 1.133
168 HE22 GLN 22 2HE2 GLN 22 -1.104 -8.751 1.250
169 H ARG 23 H ARG 23 5.106 -7.671 1.901
170 HA ARG 23 HA ARG 23 5.938 -5.068 2.642
171 HB2 ARG 23 HB2 ARG 23 7.509 -7.104 1.034
172 HB3 ARG 23 HB1 ARG 23 8.176 -5.661 1.770
173 HG2 ARG 23 HG2 ARG 23 7.373 -6.653 3.987
174 HG3 ARG 23 HG1 ARG 23 7.190 -8.160 3.087
175 HD2 ARG 23 HD2 ARG 23 9.726 -6.545 3.380
176 HD3 ARG 23 HD1 ARG 23 9.367 -8.065 4.184
177 HE ARG 23 HE ARG 23 9.203 -8.556 1.440
178 HH11 ARG 23 HH11 ARG 23 11.727 -7.601 3.754
179 HH12 ARG 23 HH12 ARG 23 12.992 -8.252 2.833
180 HH21 ARG 23 HH21 ARG 23 10.872 -9.481 0.276
181 HH22 ARG 23 HH22 ARG 23 12.512 -9.406 0.777
182 H ARG 24 H ARG 24 5.577 -6.690 -0.458
183 HA ARG 24 HA ARG 24 6.391 -4.649 -2.149
184 HB2 ARG 24 HB2 ARG 24 5.992 -6.813 -3.084
185 HB3 ARG 24 HB1 ARG 24 4.331 -6.826 -2.523
186 HG2 ARG 24 HG2 ARG 24 4.496 -6.516 -4.960
187 HG3 ARG 24 HG1 ARG 24 3.722 -5.148 -4.168
188 HD2 ARG 24 HD2 ARG 24 5.262 -4.381 -5.881
189 HD3 ARG 24 HD1 ARG 24 5.832 -3.902 -4.288
190 HE ARG 24 HE ARG 24 6.927 -6.370 -5.190
191 HH11 ARG 24 HH11 ARG 24 7.274 -2.810 -5.398
192 HH12 ARG 24 HH12 ARG 24 8.928 -2.877 -5.760
193 HH21 ARG 24 HH21 ARG 24 9.221 -6.420 -5.726
194 HH22 ARG 24 HH22 ARG 24 10.056 -4.953 -5.957
195 H CYS 25 H CYS 25 3.022 -5.331 -1.156
196 HA CYS 25 HA CYS 25 2.068 -2.980 -2.320
197 HB2 CYS 25 HB2 CYS 25 0.879 -4.908 -0.393
198 HB3 CYS 25 HB1 CYS 25 0.064 -3.374 -0.685
199 H GLN 26 H GLN 26 3.408 -3.476 0.862
200 HA GLN 26 HA GLN 26 2.535 -0.989 1.883
201 HB2 GLN 26 HB2 GLN 26 3.269 -2.658 3.437
202 HB3 GLN 26 HB1 GLN 26 4.837 -2.779 2.652
203 HG2 GLN 26 HG2 GLN 26 5.420 -0.560 3.381
204 HG3 GLN 26 HG1 GLN 26 3.815 -0.336 4.070
205 HE21 GLN 26 1HE2 GLN 26 4.759 0.098 6.018
206 HE22 GLN 26 2HE2 GLN 26 5.374 -1.137 7.058
207 H GLN 27 H GLN 27 5.526 -2.033 0.313
208 HA GLN 27 HA GLN 27 6.834 0.444 0.429
209 HB2 GLN 27 HB2 GLN 27 7.987 -1.667 -0.053
210 HB3 GLN 27 HB1 GLN 27 7.138 -1.786 -1.587
211 HG2 GLN 27 HG2 GLN 27 8.225 0.253 -2.348
212 HG3 GLN 27 HG1 GLN 27 9.091 0.368 -0.818
213 HE21 GLN 27 1HE2 GLN 27 11.055 0.247 -1.823
214 HE22 GLN 27 2HE2 GLN 27 11.686 -1.205 -2.507
215 H GLU 28 H GLU 28 4.753 -0.994 -2.049
216 HA GLU 28 HA GLU 28 4.916 1.091 -3.914
217 HB2 GLU 28 HB2 GLU 28 2.537 -0.697 -3.373
218 HB3 GLU 28 HB1 GLU 28 2.773 0.281 -4.808
219 HG2 GLU 28 HG2 GLU 28 4.368 -2.114 -3.946
220 HG3 GLU 28 HG1 GLU 28 3.274 -1.993 -5.319
221 H CYS 29 H CYS 29 2.632 0.518 -1.286
222 HA CYS 29 HA CYS 29 1.023 2.762 -1.823
223 HB2 CYS 29 HB2 CYS 29 0.360 0.710 -0.516
224 HB3 CYS 29 HB1 CYS 29 1.270 1.373 0.837
225 H GLU 30 H GLU 30 3.497 2.257 0.728
226 HA GLU 30 HA GLU 30 3.029 4.803 1.795
227 HB2 GLU 30 HB2 GLU 30 5.398 3.001 2.222
228 HB3 GLU 30 HB1 GLU 30 5.070 4.467 3.134
229 HG2 GLU 30 HG2 GLU 30 2.775 3.315 3.598
230 HG3 GLU 30 HG1 GLU 30 3.664 1.849 3.191
231 H GLU 31 H GLU 31 5.284 3.778 -0.693
232 HA GLU 31 HA GLU 31 6.478 6.381 -0.540
233 HB2 GLU 31 HB2 GLU 31 6.998 4.086 -2.383
234 HB3 GLU 31 HB1 GLU 31 7.785 5.647 -2.583
235 HG2 GLU 31 HG2 GLU 31 8.575 5.399 -0.200
236 HG3 GLU 31 HG1 GLU 31 7.997 3.737 -0.277
237 H ARG 32 H ARG 32 3.827 5.045 -2.174
238 HA ARG 32 HA ARG 32 3.819 7.059 -4.231
239 HB2 ARG 32 HB2 ARG 32 2.765 4.800 -4.441
240 HB3 ARG 32 HB1 ARG 32 1.547 5.299 -3.280
241 HG2 ARG 32 HG2 ARG 32 0.701 5.433 -5.561
242 HG3 ARG 32 HG1 ARG 32 0.789 7.034 -4.821
243 HD2 ARG 32 HD2 ARG 32 1.608 7.015 -7.164
244 HD3 ARG 32 HD1 ARG 32 2.831 7.525 -6.008
245 HE ARG 32 HE ARG 32 2.900 4.718 -6.667
246 HH11 ARG 32 HH11 ARG 32 4.022 7.942 -7.636
247 HH12 ARG 32 HH12 ARG 32 5.432 7.383 -8.399
248 HH21 ARG 32 HH21 ARG 32 4.879 3.957 -7.752
249 HH22 ARG 32 HH22 ARG 32 5.930 5.070 -8.471
250 H LEU 33 H LEU 33 2.237 6.475 -1.160
251 HA LEU 33 HA LEU 33 0.726 8.896 -1.121
252 HB2 LEU 33 HB2 LEU 33 0.084 6.888 0.131
253 HB3 LEU 33 HB1 LEU 33 1.545 7.005 1.084
254 HG LEU 33 HG LEU 33 0.706 9.133 2.047
255 HD11 LEU 33 HD11 LEU 33 -0.759 9.834 0.239
256 HD12 LEU 33 HD12 LEU 33 -1.652 9.720 1.756
257 HD13 LEU 33 HD13 LEU 33 -1.815 8.454 0.540
258 HD21 LEU 33 HD21 LEU 33 -1.095 6.739 2.322
259 HD22 LEU 33 HD22 LEU 33 -1.013 8.083 3.458
260 HD23 LEU 33 HD23 LEU 33 0.389 7.038 3.224
261 H ARG 34 H ARG 34 3.827 7.840 0.082
262 HA ARG 34 HA ARG 34 5.651 8.826 0.766
263 HB2 ARG 34 HB2 ARG 34 4.336 11.375 -0.135
264 HB3 ARG 34 HB1 ARG 34 5.886 11.378 0.694
265 HG2 ARG 34 HG2 ARG 34 5.282 9.991 -1.912
266 HG3 ARG 34 HG1 ARG 34 6.183 11.497 -1.714
267 HD2 ARG 34 HD2 ARG 34 6.981 8.747 -0.730
268 HD3 ARG 34 HD1 ARG 34 7.757 9.702 -1.983
269 HE ARG 34 HE ARG 34 8.009 11.360 0.037
270 HH11 ARG 34 HH11 ARG 34 8.721 7.897 -0.111
271 HH12 ARG 34 HH12 ARG 34 9.822 7.919 1.183
272 HH21 ARG 34 HH21 ARG 34 9.531 11.400 1.766
273 HH22 ARG 34 HH22 ARG 34 10.319 9.955 2.259
274 H ASP 35 H ASP 35 3.347 11.137 1.989
275 HA ASP 35 HA ASP 35 4.374 10.366 4.633
276 HB2 ASP 35 HB2 ASP 35 4.817 12.760 3.984
277 HB3 ASP 35 HB1 ASP 35 3.075 13.018 3.971
Start of MODEL 4
1 H PCA 1 H PGL 1 -5.455 10.571 2.601
2 HA PCA 1 HA PGL 1 -5.809 9.083 4.640
3 HB2 PCA 1 HB1 PGL 1 -7.219 9.961 6.199
4 HB3 PCA 1 HB2 PGL 1 -8.541 10.003 4.998
5 HG2 PCA 1 HG1 PGL 1 -6.870 12.206 5.944
6 HG3 PCA 1 HG2 PGL 1 -8.290 12.252 4.844
7 H LYS 2 H LYS 2 -7.896 10.247 2.096
8 HA LYS 2 HA LYS 2 -9.434 7.849 1.895
9 HB2 LYS 2 HB2 LYS 2 -9.053 10.092 -0.106
10 HB3 LYS 2 HB1 LYS 2 -10.231 8.807 -0.219
11 HG2 LYS 2 HG2 LYS 2 -10.153 10.912 1.933
12 HG3 LYS 2 HG1 LYS 2 -11.240 10.894 0.543
13 HD2 LYS 2 HD2 LYS 2 -12.137 8.722 1.340
14 HD3 LYS 2 HD1 LYS 2 -11.117 8.864 2.771
15 HE2 LYS 2 HE2 LYS 2 -12.261 10.989 3.329
16 HE3 LYS 2 HE1 LYS 2 -13.316 10.751 1.941
17 HZ1 LYS 2 HZ1 LYS 2 -13.102 8.947 4.282
18 HZ2 LYS 2 HZ2 LYS 2 -14.049 8.658 2.935
19 HZ3 LYS 2 HZ3 LYS 2 -14.411 9.941 3.946
20 H GLU 3 H GLU 3 -6.799 9.312 0.086
21 HA GLU 3 HA GLU 3 -6.581 7.200 -1.782
22 HB2 GLU 3 HB2 GLU 3 -4.576 8.243 -2.600
23 HB3 GLU 3 HB1 GLU 3 -5.688 9.527 -2.182
24 HG2 GLU 3 HG2 GLU 3 -3.317 8.631 -0.541
25 HG3 GLU 3 HG1 GLU 3 -3.377 10.051 -1.573
26 H THR 4 H THR 4 -5.386 7.730 1.288
27 HA THR 4 HA THR 4 -3.330 5.762 1.366
28 HB THR 4 HB THR 4 -4.901 6.860 3.673
29 HG1 THR 4 HG1 THR 4 -3.894 8.493 2.168
30 HG21 THR 4 HG21 THR 4 -2.065 5.833 3.469
31 HG22 THR 4 HG22 THR 4 -3.418 4.976 4.200
32 HG23 THR 4 HG23 THR 4 -2.823 6.472 4.928
33 H GLU 5 H GLU 5 -6.731 5.811 2.539
34 HA GLU 5 HA GLU 5 -6.825 3.206 3.502
35 HB2 GLU 5 HB2 GLU 5 -8.488 4.995 3.977
36 HB3 GLU 5 HB1 GLU 5 -9.051 4.885 2.320
37 HG2 GLU 5 HG2 GLU 5 -10.578 3.742 3.762
38 HG3 GLU 5 HG1 GLU 5 -9.748 2.571 2.737
39 H ILE 6 H ILE 6 -7.753 4.546 0.335
40 HA ILE 6 HA ILE 6 -8.476 2.108 -0.866
41 HB ILE 6 HB ILE 6 -7.651 4.766 -2.036
42 HG12 ILE 6 HG12 ILE 6 -9.923 4.702 -3.035
43 HG13 ILE 6 HG11 ILE 6 -10.188 3.137 -2.283
44 HG21 ILE 6 HG21 ILE 6 -8.043 3.982 -4.328
45 HG22 ILE 6 HG22 ILE 6 -8.169 2.328 -3.729
46 HG23 ILE 6 HG23 ILE 6 -6.647 3.202 -3.585
47 HD11 ILE 6 HD11 ILE 6 -9.969 4.155 -0.109
48 HD12 ILE 6 HD12 ILE 6 -11.258 4.937 -1.052
49 HD13 ILE 6 HD13 ILE 6 -9.674 5.714 -0.860
50 H CYS 7 H CYS 7 -5.428 3.697 -0.627
51 HA CYS 7 HA CYS 7 -3.860 2.200 -2.397
52 HB2 CYS 7 HB2 CYS 7 -3.150 4.280 -1.134
53 HB3 CYS 7 HB1 CYS 7 -2.925 3.264 0.279
54 H ARG 8 H ARG 8 -4.490 1.591 1.037
55 HA ARG 8 HA ARG 8 -3.131 -0.934 0.926
56 HB2 ARG 8 HB2 ARG 8 -3.059 0.326 3.005
57 HB3 ARG 8 HB1 ARG 8 -4.812 0.330 3.100
58 HG2 ARG 8 HG2 ARG 8 -4.005 -1.282 4.667
59 HG3 ARG 8 HG1 ARG 8 -4.732 -2.163 3.328
60 HD2 ARG 8 HD2 ARG 8 -2.400 -2.428 2.393
61 HD3 ARG 8 HD1 ARG 8 -1.798 -1.773 3.916
62 HE ARG 8 HE ARG 8 -3.491 -4.185 3.802
63 HH11 ARG 8 HH11 ARG 8 -0.617 -2.578 5.151
64 HH12 ARG 8 HH12 ARG 8 -0.056 -3.966 5.947
65 HH21 ARG 8 HH21 ARG 8 -2.685 -6.096 4.894
66 HH22 ARG 8 HH22 ARG 8 -1.230 -6.011 5.771
67 H GLN 9 H GLN 9 -6.505 0.175 0.913
68 HA GLN 9 HA GLN 9 -7.798 -2.264 1.274
69 HB2 GLN 9 HB2 GLN 9 -8.918 -0.058 1.374
70 HB3 GLN 9 HB1 GLN 9 -8.744 0.087 -0.367
71 HG2 GLN 9 HG2 GLN 9 -10.172 -1.878 -0.670
72 HG3 GLN 9 HG1 GLN 9 -10.365 -1.993 1.077
73 HE21 GLN 9 1HE2 GLN 9 -11.615 -0.475 2.126
74 HE22 GLN 9 2HE2 GLN 9 -12.724 0.563 1.304
75 H TRP 10 H TRP 10 -6.570 -0.792 -1.673
76 HA TRP 10 HA TRP 10 -7.657 -2.566 -3.544
77 HB2 TRP 10 HB2 TRP 10 -6.449 -0.410 -4.053
78 HB3 TRP 10 HB1 TRP 10 -4.944 -1.226 -3.673
79 HD1 TRP 10 HD TRP 10 -7.683 -1.092 -6.314
80 HE1 TRP 10 HE1 TRP 10 -6.825 -2.211 -8.468
81 HE3 TRP 10 3HE TRP 10 -3.301 -3.012 -4.564
82 HZ2 TRP 10 HZ2 TRP 10 -4.621 -3.694 -9.313
83 HZ3 TRP 10 HZ3 TRP 10 -1.864 -4.278 -6.115
84 HH2 TRP 10 HH TRP 10 -2.519 -4.611 -8.446
85 H CYS 11 H CYS 11 -4.539 -2.634 -1.907
86 HA CYS 11 HA CYS 11 -3.826 -5.164 -2.952
87 HB2 CYS 11 HB2 CYS 11 -2.723 -3.546 -0.679
88 HB3 CYS 11 HB1 CYS 11 -2.011 -5.061 -1.238
89 H GLN 12 H GLN 12 -5.528 -4.136 -0.141
90 HA GLN 12 HA GLN 12 -5.490 -6.389 1.474
91 HB2 GLN 12 HB2 GLN 12 -6.404 -4.233 2.143
92 HB3 GLN 12 HB1 GLN 12 -7.668 -4.377 0.940
93 HG2 GLN 12 HG2 GLN 12 -8.553 -6.327 2.192
94 HG3 GLN 12 HG1 GLN 12 -7.344 -6.012 3.439
95 HE21 GLN 12 1HE2 GLN 12 -7.546 -3.092 3.128
96 HE22 GLN 12 2HE2 GLN 12 -9.035 -2.639 3.843
97 H VAL 13 H VAL 13 -7.704 -5.534 -1.179
98 HA VAL 13 HA VAL 13 -8.932 -8.142 -0.966
99 HB VAL 13 HB VAL 13 -10.470 -7.421 -2.752
100 HG11 VAL 13 HG11 VAL 13 -11.044 -6.936 -0.458
101 HG12 VAL 13 HG12 VAL 13 -11.598 -5.633 -1.511
102 HG13 VAL 13 3HG1 VAL 13 -10.150 -5.418 -0.530
103 HG21 VAL 13 HG21 VAL 13 -10.428 -5.101 -3.581
104 HG22 VAL 13 HG22 VAL 13 -8.972 -5.980 -4.045
105 HG23 VAL 13 HG23 VAL 13 -8.916 -4.825 -2.716
106 H MET 14 H MET 14 -6.534 -6.622 -2.888
107 HA MET 14 HA MET 14 -6.690 -8.443 -5.084
108 HB2 MET 14 HB2 MET 14 -5.766 -6.152 -5.309
109 HB3 MET 14 HB1 MET 14 -4.426 -6.620 -4.282
110 HG2 MET 14 HG2 MET 14 -3.779 -6.616 -6.618
111 HG3 MET 14 HG1 MET 14 -3.686 -8.234 -5.927
112 HE1 MET 14 HE1 MET 14 -6.948 -6.299 -7.082
113 HE2 MET 14 HE2 MET 14 -7.055 -6.828 -8.759
114 HE3 MET 14 3HE MET 14 -5.716 -5.804 -8.242
115 H LYS 15 H LYS 15 -4.471 -8.152 -2.296
116 HA LYS 15 HA LYS 15 -3.749 -10.968 -2.654
117 HB2 LYS 15 HB2 LYS 15 -1.746 -8.762 -2.030
118 HB3 LYS 15 HB1 LYS 15 -1.390 -10.474 -2.165
119 HG2 LYS 15 HG2 LYS 15 -2.359 -8.737 -4.425
120 HG3 LYS 15 HG1 LYS 15 -0.672 -9.144 -4.122
121 HD2 LYS 15 HD2 LYS 15 -1.062 -11.449 -4.572
122 HD3 LYS 15 HD1 LYS 15 -2.812 -11.223 -4.562
123 HE2 LYS 15 HE2 LYS 15 -1.933 -11.446 -6.837
124 HE3 LYS 15 HE1 LYS 15 -2.683 -9.885 -6.577
125 HZ1 LYS 15 HZ1 LYS 15 0.252 -10.438 -6.621
126 HZ2 LYS 15 HZ2 LYS 15 -0.460 -8.939 -6.288
127 HZ3 LYS 15 HZ3 LYS 15 -0.658 -9.621 -7.788
128 HA PRO 16 HA PRO 16 -5.084 -9.803 1.604
129 HB2 PRO 16 HB2 PRO 16 -6.328 -12.451 1.663
130 HB3 PRO 16 HB1 PRO 16 -7.086 -10.870 1.860
131 HG2 PRO 16 HG2 PRO 16 -7.493 -12.409 -0.332
132 HG3 PRO 16 HG1 PRO 16 -7.493 -10.638 -0.398
133 HD2 PRO 16 HD2 PRO 16 -5.326 -12.562 -1.148
134 HD3 PRO 16 HD1 PRO 16 -5.867 -11.088 -1.985
135 H GLN 17 H GLN 17 -3.496 -10.039 3.002
136 HA GLN 17 HA GLN 17 -1.877 -10.863 4.333
137 HB2 GLN 17 HB2 GLN 17 -3.535 -13.353 4.016
138 HB3 GLN 17 HB1 GLN 17 -2.165 -13.255 5.112
139 HG2 GLN 17 HG2 GLN 17 -3.251 -11.541 6.399
140 HG3 GLN 17 HG1 GLN 17 -4.563 -11.440 5.226
141 HE21 GLN 17 1HE2 GLN 17 -6.027 -11.868 6.891
142 HE22 GLN 17 2HE2 GLN 17 -6.259 -13.460 7.504
143 H GLY 18 H GLY 18 -1.575 -11.093 1.339
144 HA2 GLY 18 HA2 GLY 18 0.232 -13.368 1.040
145 HA3 GLY 18 HA1 GLY 18 -0.214 -12.229 -0.225
146 H GLY 19 H GLY 19 1.616 -12.631 2.657
147 HA2 GLY 19 HA2 GLY 19 2.889 -10.415 3.330
148 HA3 GLY 19 HA1 GLY 19 3.753 -11.927 3.278
149 H GLU 20 H GLU 20 4.314 -12.322 0.666
150 HA GLU 20 HA GLU 20 6.451 -10.515 0.238
151 HB2 GLU 20 HB2 GLU 20 5.213 -12.542 -1.622
152 HB3 GLU 20 HB1 GLU 20 6.591 -11.558 -2.076
153 HG2 GLU 20 HG2 GLU 20 7.336 -13.726 -1.401
154 HG3 GLU 20 HG1 GLU 20 7.862 -12.532 -0.219
155 H GLU 21 H GLU 21 3.483 -10.931 -1.583
156 HA GLU 21 HA GLU 21 4.002 -8.664 -3.226
157 HB2 GLU 21 HB2 GLU 21 1.511 -10.330 -2.880
158 HB3 GLU 21 HB1 GLU 21 1.753 -9.139 -4.151
159 HG2 GLU 21 HG2 GLU 21 3.686 -10.412 -4.964
160 HG3 GLU 21 HG1 GLU 21 3.397 -11.619 -3.717
161 H GLN 22 H GLN 22 2.490 -9.195 -0.247
162 HA GLN 22 HA GLN 22 0.968 -6.809 -0.108
163 HB2 GLN 22 HB2 GLN 22 0.551 -8.788 1.289
164 HB3 GLN 22 HB1 GLN 22 2.097 -8.548 2.078
165 HG2 GLN 22 HG2 GLN 22 1.338 -6.537 3.093
166 HG3 GLN 22 HG1 GLN 22 -0.160 -6.572 2.158
167 HE21 GLN 22 1HE2 GLN 22 1.605 -8.011 4.794
168 HE22 GLN 22 2HE2 GLN 22 0.252 -8.869 5.436
169 H ARG 23 H ARG 23 4.246 -7.732 0.960
170 HA ARG 23 HA ARG 23 4.825 -5.119 1.932
171 HB2 ARG 23 HB2 ARG 23 6.698 -7.355 1.161
172 HB3 ARG 23 HB1 ARG 23 7.229 -5.842 1.880
173 HG2 ARG 23 HG2 ARG 23 5.497 -7.962 3.126
174 HG3 ARG 23 HG1 ARG 23 7.137 -7.506 3.585
175 HD2 ARG 23 HD2 ARG 23 4.642 -5.824 3.852
176 HD3 ARG 23 HD1 ARG 23 5.554 -6.567 5.152
177 HE ARG 23 HE ARG 23 7.187 -4.816 3.630
178 HH11 ARG 23 HH11 ARG 23 4.633 -4.763 6.103
179 HH12 ARG 23 HH12 ARG 23 5.168 -3.303 6.796
180 HH21 ARG 23 HH21 ARG 23 7.814 -2.760 4.538
181 HH22 ARG 23 HH22 ARG 23 6.971 -2.120 5.864
182 H ARG 24 H ARG 24 5.145 -6.705 -1.121
183 HA ARG 24 HA ARG 24 6.505 -4.744 -2.567
184 HB2 ARG 24 HB2 ARG 24 5.784 -6.934 -3.483
185 HB3 ARG 24 HB1 ARG 24 4.117 -6.390 -3.449
186 HG2 ARG 24 HG2 ARG 24 5.018 -6.294 -5.705
187 HG3 ARG 24 HG1 ARG 24 4.645 -4.675 -5.115
188 HD2 ARG 24 HD2 ARG 24 6.818 -4.837 -6.309
189 HD3 ARG 24 HD1 ARG 24 6.955 -4.238 -4.657
190 HE ARG 24 HE ARG 24 7.280 -7.047 -4.772
191 HH11 ARG 24 HH11 ARG 24 9.019 -4.038 -5.482
192 HH12 ARG 24 HH12 ARG 24 10.552 -4.699 -5.166
193 HH21 ARG 24 HH21 ARG 24 9.402 -7.926 -4.301
194 HH22 ARG 24 HH22 ARG 24 10.777 -6.950 -4.523
195 H CYS 25 H CYS 25 3.045 -5.123 -1.948
196 HA CYS 25 HA CYS 25 2.149 -2.702 -2.951
197 HB2 CYS 25 HB2 CYS 25 1.120 -4.619 -0.940
198 HB3 CYS 25 HB1 CYS 25 0.339 -3.052 -1.102
199 H GLN 26 H GLN 26 3.351 -3.473 0.284
200 HA GLN 26 HA GLN 26 2.780 -1.016 1.454
201 HB2 GLN 26 HB2 GLN 26 5.049 -2.917 2.032
202 HB3 GLN 26 HB1 GLN 26 4.649 -1.539 3.040
203 HG2 GLN 26 HG2 GLN 26 2.893 -3.921 2.485
204 HG3 GLN 26 HG1 GLN 26 3.739 -3.560 3.989
205 HE21 GLN 26 1HE2 GLN 26 3.013 -1.842 5.244
206 HE22 GLN 26 2HE2 GLN 26 1.414 -1.228 5.120
207 H GLN 27 H GLN 27 5.683 -2.096 -0.220
208 HA GLN 27 HA GLN 27 7.170 0.266 -0.049
209 HB2 GLN 27 HB2 GLN 27 8.111 -1.878 -0.778
210 HB3 GLN 27 HB1 GLN 27 7.133 -1.820 -2.235
211 HG2 GLN 27 HG2 GLN 27 8.326 0.237 -2.904
212 HG3 GLN 27 HG1 GLN 27 9.363 0.057 -1.491
213 HE21 GLN 27 1HE2 GLN 27 10.053 0.067 -4.268
214 HE22 GLN 27 2HE2 GLN 27 10.842 -1.430 -4.615
215 H GLU 28 H GLU 28 4.977 -0.880 -2.597
216 HA GLU 28 HA GLU 28 5.246 1.384 -4.254
217 HB2 GLU 28 HB2 GLU 28 2.912 -0.517 -4.073
218 HB3 GLU 28 HB1 GLU 28 3.205 0.621 -5.377
219 HG2 GLU 28 HG2 GLU 28 5.332 -0.573 -5.847
220 HG3 GLU 28 HG1 GLU 28 4.864 -1.770 -4.640
221 H CYS 29 H CYS 29 3.125 0.679 -1.580
222 HA CYS 29 HA CYS 29 1.376 2.856 -2.012
223 HB2 CYS 29 HB2 CYS 29 0.926 0.788 -0.581
224 HB3 CYS 29 HB1 CYS 29 1.916 1.555 0.656
225 H GLU 30 H GLU 30 4.295 2.406 -0.038
226 HA GLU 30 HA GLU 30 4.272 4.956 1.147
227 HB2 GLU 30 HB2 GLU 30 6.584 3.102 0.511
228 HB3 GLU 30 HB1 GLU 30 6.727 4.559 1.485
229 HG2 GLU 30 HG2 GLU 30 5.160 3.632 3.109
230 HG3 GLU 30 HG1 GLU 30 5.008 2.184 2.120
231 H GLU 31 H GLU 31 5.615 3.720 -1.829
232 HA GLU 31 HA GLU 31 6.861 6.128 -2.651
233 HB2 GLU 31 HB2 GLU 31 7.516 3.868 -3.399
234 HB3 GLU 31 HB1 GLU 31 5.995 3.721 -4.253
235 HG2 GLU 31 HG2 GLU 31 6.636 5.523 -5.740
236 HG3 GLU 31 HG1 GLU 31 8.147 5.733 -4.858
237 H ARG 32 H ARG 32 3.625 5.016 -2.748
238 HA ARG 32 HA ARG 32 2.755 6.742 -4.908
239 HB2 ARG 32 HB2 ARG 32 1.687 4.551 -4.485
240 HB3 ARG 32 HB1 ARG 32 1.155 5.133 -2.920
241 HG2 ARG 32 HG2 ARG 32 -0.217 6.845 -4.027
242 HG3 ARG 32 HG1 ARG 32 0.295 6.223 -5.596
243 HD2 ARG 32 HD2 ARG 32 -1.268 4.737 -3.486
244 HD3 ARG 32 HD1 ARG 32 -1.878 5.313 -5.037
245 HE ARG 32 HE ARG 32 0.293 3.686 -5.551
246 HH11 ARG 32 HH11 ARG 32 -3.033 3.321 -4.357
247 HH12 ARG 32 HH12 ARG 32 -3.082 1.645 -4.690
248 HH21 ARG 32 HH21 ARG 32 0.176 1.420 -6.028
249 HH22 ARG 32 HH22 ARG 32 -1.241 0.549 -5.636
250 H LEU 33 H LEU 33 2.288 6.505 -1.414
251 HA LEU 33 HA LEU 33 0.692 8.850 -1.256
252 HB2 LEU 33 HB2 LEU 33 2.143 7.383 0.932
253 HB3 LEU 33 HB1 LEU 33 0.886 8.581 1.156
254 HG LEU 33 HG LEU 33 0.540 5.868 -0.117
255 HD11 LEU 33 HD11 LEU 33 0.881 5.799 2.285
256 HD12 LEU 33 HD12 LEU 33 -0.765 5.351 1.843
257 HD13 LEU 33 HD13 LEU 33 -0.433 6.956 2.509
258 HD21 LEU 33 HD21 LEU 33 -1.852 6.390 -0.109
259 HD22 LEU 33 HD22 LEU 33 -0.956 7.509 -1.130
260 HD23 LEU 33 HD23 LEU 33 -1.494 8.016 0.474
261 H ARG 34 H ARG 34 4.096 8.178 -0.788
262 HA ARG 34 HA ARG 34 4.541 10.923 0.061
263 HB2 ARG 34 HB2 ARG 34 6.464 8.633 -0.333
264 HB3 ARG 34 HB1 ARG 34 6.893 10.225 0.277
265 HG2 ARG 34 HG2 ARG 34 5.555 9.902 2.229
266 HG3 ARG 34 HG1 ARG 34 4.930 8.378 1.596
267 HD2 ARG 34 HD2 ARG 34 7.193 7.454 1.625
268 HD3 ARG 34 HD1 ARG 34 7.800 8.968 2.291
269 HE ARG 34 HE ARG 34 6.131 8.497 4.130
270 HH11 ARG 34 HH11 ARG 34 7.989 5.960 2.427
271 HH12 ARG 34 HH12 ARG 34 7.835 4.824 3.666
272 HH21 ARG 34 HH21 ARG 34 6.047 6.965 5.890
273 HH22 ARG 34 HH22 ARG 34 6.762 5.436 5.714
274 H ASP 35 H ASP 35 5.719 12.370 -1.122
275 HA ASP 35 HA ASP 35 6.432 11.583 -3.831
276 HB2 ASP 35 HB2 ASP 35 4.248 12.820 -3.817
277 HB3 ASP 35 HB1 ASP 35 5.093 14.199 -3.117
Start of MODEL 5
1 H PCA 1 H PGL 1 -4.891 11.826 2.850
2 HA PCA 1 HA PGL 1 -3.283 9.917 3.271
3 HB2 PCA 1 HB1 PGL 1 -3.108 9.441 5.477
4 HB3 PCA 1 HB2 PGL 1 -4.714 8.668 5.392
5 HG2 PCA 1 HG1 PGL 1 -4.011 11.179 6.641
6 HG3 PCA 1 HG2 PGL 1 -5.630 10.410 6.526
7 H LYS 2 H LYS 2 -6.413 10.429 2.452
8 HA LYS 2 HA LYS 2 -7.419 7.814 2.557
9 HB2 LYS 2 HB2 LYS 2 -8.394 10.132 0.913
10 HB3 LYS 2 HB1 LYS 2 -9.240 8.618 1.178
11 HG2 LYS 2 HG2 LYS 2 -9.127 9.108 3.652
12 HG3 LYS 2 HG1 LYS 2 -8.578 10.725 3.220
13 HD2 LYS 2 HD2 LYS 2 -10.964 10.749 3.637
14 HD3 LYS 2 HD1 LYS 2 -10.662 11.041 1.923
15 HE2 LYS 2 HE2 LYS 2 -12.525 9.477 2.302
16 HE3 LYS 2 HE1 LYS 2 -11.222 8.737 1.389
17 HZ1 LYS 2 HZ1 LYS 2 -11.988 7.212 3.018
18 HZ2 LYS 2 HZ2 LYS 2 -11.896 8.335 4.254
19 HZ3 LYS 2 HZ3 LYS 2 -10.476 7.711 3.582
20 H GLU 3 H GLU 3 -5.450 9.419 0.192
21 HA GLU 3 HA GLU 3 -5.970 7.643 -1.944
22 HB2 GLU 3 HB2 GLU 3 -3.376 9.114 -1.363
23 HB3 GLU 3 HB1 GLU 3 -3.748 8.283 -2.855
24 HG2 GLU 3 HG2 GLU 3 -5.634 9.843 -3.203
25 HG3 GLU 3 HG1 GLU 3 -5.125 10.724 -1.766
26 H THR 4 H THR 4 -4.059 7.415 0.830
27 HA THR 4 HA THR 4 -2.635 5.049 0.061
28 HB THR 4 HB THR 4 -3.008 6.045 2.860
29 HG1 THR 4 HG1 THR 4 -1.089 7.260 2.431
30 HG21 THR 4 HG21 THR 4 -0.762 4.612 1.443
31 HG22 THR 4 HG22 THR 4 -1.876 3.902 2.613
32 HG23 THR 4 HG23 THR 4 -0.720 5.137 3.122
33 H GLU 5 H GLU 5 -5.559 5.847 1.868
34 HA GLU 5 HA GLU 5 -6.032 3.311 2.996
35 HB2 GLU 5 HB2 GLU 5 -8.077 5.365 2.165
36 HB3 GLU 5 HB1 GLU 5 -8.375 3.996 3.223
37 HG2 GLU 5 HG2 GLU 5 -6.647 4.940 4.749
38 HG3 GLU 5 HG1 GLU 5 -6.657 6.394 3.760
39 H ILE 6 H ILE 6 -7.309 4.790 0.061
40 HA ILE 6 HA ILE 6 -8.763 2.637 -0.994
41 HB ILE 6 HB ILE 6 -7.076 4.620 -2.545
42 HG12 ILE 6 HG12 ILE 6 -9.984 4.866 -1.792
43 HG13 ILE 6 HG11 ILE 6 -8.673 5.659 -0.921
44 HG21 ILE 6 HG21 ILE 6 -8.672 4.244 -4.368
45 HG22 ILE 6 HG22 ILE 6 -9.514 3.050 -3.386
46 HG23 ILE 6 HG23 ILE 6 -7.857 2.747 -3.908
47 HD11 ILE 6 HD11 ILE 6 -9.388 6.060 -3.802
48 HD12 ILE 6 HD12 ILE 6 -8.029 6.786 -2.946
49 HD13 ILE 6 HD13 ILE 6 -9.687 7.185 -2.463
50 H CYS 7 H CYS 7 -5.466 3.603 -1.412
51 HA CYS 7 HA CYS 7 -4.520 1.646 -3.071
52 HB2 CYS 7 HB2 CYS 7 -3.246 3.619 -2.576
53 HB3 CYS 7 HB1 CYS 7 -3.127 3.164 -0.884
54 H ARG 8 H ARG 8 -4.445 1.573 0.531
55 HA ARG 8 HA ARG 8 -3.389 -1.031 0.689
56 HB2 ARG 8 HB2 ARG 8 -3.292 0.451 2.635
57 HB3 ARG 8 HB1 ARG 8 -5.047 0.481 2.732
58 HG2 ARG 8 HG2 ARG 8 -4.181 -1.006 4.437
59 HG3 ARG 8 HG1 ARG 8 -5.035 -1.955 3.221
60 HD2 ARG 8 HD2 ARG 8 -2.799 -2.390 2.143
61 HD3 ARG 8 HD1 ARG 8 -2.050 -1.641 3.547
62 HE ARG 8 HE ARG 8 -3.649 -4.115 3.573
63 HH11 ARG 8 HH11 ARG 8 -1.276 -2.044 5.174
64 HH12 ARG 8 HH12 ARG 8 -0.573 -3.283 6.095
65 HH21 ARG 8 HH21 ARG 8 -2.655 -5.879 4.912
66 HH22 ARG 8 HH22 ARG 8 -1.368 -5.475 5.939
67 H GLN 9 H GLN 9 -6.712 0.170 0.675
68 HA GLN 9 HA GLN 9 -7.935 -2.274 1.268
69 HB2 GLN 9 HB2 GLN 9 -9.024 0.125 -0.188
70 HB3 GLN 9 HB1 GLN 9 -9.998 -1.272 0.259
71 HG2 GLN 9 HG2 GLN 9 -8.518 0.546 2.146
72 HG3 GLN 9 HG1 GLN 9 -10.260 0.509 1.887
73 HE21 GLN 9 1HE2 GLN 9 -8.723 0.074 4.315
74 HE22 GLN 9 2HE2 GLN 9 -9.143 -1.497 4.883
75 H TRP 10 H TRP 10 -7.034 -0.886 -1.819
76 HA TRP 10 HA TRP 10 -8.226 -2.834 -3.458
77 HB2 TRP 10 HB2 TRP 10 -7.269 -0.663 -4.262
78 HB3 TRP 10 HB1 TRP 10 -5.662 -1.322 -3.976
79 HD1 TRP 10 HD TRP 10 -8.665 -1.680 -6.318
80 HE1 TRP 10 HE1 TRP 10 -7.908 -2.857 -8.471
81 HE3 TRP 10 3HE TRP 10 -3.948 -2.924 -4.909
82 HZ2 TRP 10 HZ2 TRP 10 -5.591 -4.157 -9.450
83 HZ3 TRP 10 HZ3 TRP 10 -2.503 -4.141 -6.507
84 HH2 TRP 10 HH TRP 10 -3.315 -4.744 -8.728
85 H CYS 11 H CYS 11 -4.887 -2.630 -2.259
86 HA CYS 11 HA CYS 11 -4.191 -5.177 -3.227
87 HB2 CYS 11 HB2 CYS 11 -2.899 -3.262 -1.361
88 HB3 CYS 11 HB1 CYS 11 -2.321 -4.925 -1.373
89 H GLN 12 H GLN 12 -5.706 -4.242 -0.251
90 HA GLN 12 HA GLN 12 -5.200 -6.614 1.147
91 HB2 GLN 12 HB2 GLN 12 -6.005 -4.567 2.221
92 HB3 GLN 12 HB1 GLN 12 -7.545 -4.727 1.394
93 HG2 GLN 12 HG2 GLN 12 -7.994 -6.788 2.602
94 HG3 GLN 12 HG1 GLN 12 -6.433 -6.667 3.409
95 HE21 GLN 12 1HE2 GLN 12 -9.631 -5.394 3.178
96 HE22 GLN 12 2HE2 GLN 12 -9.600 -4.466 4.616
97 H VAL 13 H VAL 13 -7.811 -5.685 -1.083
98 HA VAL 13 HA VAL 13 -9.056 -8.277 -0.723
99 HB VAL 13 HB VAL 13 -10.516 -6.295 -0.815
100 HG11 VAL 13 HG11 VAL 13 -9.659 -6.039 -3.675
101 HG12 VAL 13 HG12 VAL 13 -9.337 -4.899 -2.367
102 HG13 VAL 13 3HG1 VAL 13 -10.991 -5.164 -2.923
103 HG21 VAL 13 HG21 VAL 13 -10.977 -8.230 -3.074
104 HG22 VAL 13 HG22 VAL 13 -12.203 -7.172 -2.376
105 HG23 VAL 13 HG23 VAL 13 -11.471 -8.443 -1.395
106 H MET 14 H MET 14 -7.272 -6.583 -3.239
107 HA MET 14 HA MET 14 -7.799 -8.604 -5.227
108 HB2 MET 14 HB2 MET 14 -5.924 -6.245 -5.236
109 HB3 MET 14 HB1 MET 14 -6.161 -7.317 -6.606
110 HG2 MET 14 HG2 MET 14 -8.325 -5.672 -5.313
111 HG3 MET 14 HG1 MET 14 -7.427 -5.201 -6.749
112 HE1 MET 14 HE1 MET 14 -7.155 -7.943 -8.357
113 HE2 MET 14 HE2 MET 14 -7.600 -6.394 -9.070
114 HE3 MET 14 3HE MET 14 -8.580 -7.823 -9.389
115 H LYS 15 H LYS 15 -5.354 -8.055 -2.839
116 HA LYS 15 HA LYS 15 -3.806 -10.271 -3.979
117 HB2 LYS 15 HB2 LYS 15 -2.805 -8.036 -2.195
118 HB3 LYS 15 HB1 LYS 15 -1.839 -9.330 -2.860
119 HG2 LYS 15 HG2 LYS 15 -3.156 -7.129 -4.443
120 HG3 LYS 15 HG1 LYS 15 -1.462 -7.178 -3.970
121 HD2 LYS 15 HD2 LYS 15 -1.280 -9.327 -5.265
122 HD3 LYS 15 HD1 LYS 15 -2.911 -9.012 -5.868
123 HE2 LYS 15 HE2 LYS 15 -2.126 -6.831 -6.745
124 HE3 LYS 15 HE1 LYS 15 -0.501 -7.233 -6.205
125 HZ1 LYS 15 HZ1 LYS 15 -2.087 -8.651 -8.262
126 HZ2 LYS 15 HZ2 LYS 15 -0.583 -9.179 -7.700
127 HZ3 LYS 15 HZ3 LYS 15 -0.708 -7.714 -8.519
128 HA PRO 16 HA PRO 16 -5.075 -11.639 0.173
129 HB2 PRO 16 HB2 PRO 16 -5.894 -14.159 -0.705
130 HB3 PRO 16 HB1 PRO 16 -6.944 -12.761 -0.476
131 HG2 PRO 16 HG2 PRO 16 -6.294 -14.025 -2.937
132 HG3 PRO 16 HG1 PRO 16 -7.198 -12.520 -2.719
133 HD2 PRO 16 HD2 PRO 16 -4.326 -12.924 -3.403
134 HD3 PRO 16 HD1 PRO 16 -5.422 -11.592 -3.839
135 H GLN 17 H GLN 17 -3.315 -12.185 1.390
136 HA GLN 17 HA GLN 17 -1.696 -13.371 2.328
137 HB2 GLN 17 HB2 GLN 17 -2.592 -15.557 0.443
138 HB3 GLN 17 HB1 GLN 17 -1.364 -15.769 1.679
139 HG2 GLN 17 HG2 GLN 17 -4.212 -14.971 2.216
140 HG3 GLN 17 HG1 GLN 17 -3.576 -16.610 2.351
141 HE21 GLN 17 1HE2 GLN 17 -3.653 -13.444 3.767
142 HE22 GLN 17 2HE2 GLN 17 -2.885 -13.865 5.241
143 H GLY 18 H GLY 18 0.327 -14.831 1.593
144 HA2 GLY 18 HA2 GLY 18 1.936 -15.135 -0.211
145 HA3 GLY 18 HA1 GLY 18 1.472 -13.543 -0.809
146 H GLY 19 H GLY 19 1.449 -12.230 1.576
147 HA2 GLY 19 HA2 GLY 19 2.821 -11.262 3.198
148 HA3 GLY 19 HA1 GLY 19 3.984 -12.550 2.923
149 H GLU 20 H GLU 20 4.991 -12.386 0.632
150 HA GLU 20 HA GLU 20 6.473 -9.978 0.569
151 HB2 GLU 20 HB2 GLU 20 7.580 -11.974 -0.075
152 HB3 GLU 20 HB1 GLU 20 6.359 -12.356 -1.272
153 HG2 GLU 20 HG2 GLU 20 7.072 -10.449 -2.603
154 HG3 GLU 20 HG1 GLU 20 8.287 -10.069 -1.391
155 H GLU 21 H GLU 21 3.900 -11.267 -1.459
156 HA GLU 21 HA GLU 21 3.858 -9.219 -3.389
157 HB2 GLU 21 HB2 GLU 21 2.615 -11.415 -3.491
158 HB3 GLU 21 HB1 GLU 21 1.472 -10.751 -2.333
159 HG2 GLU 21 HG2 GLU 21 0.529 -10.559 -4.506
160 HG3 GLU 21 HG1 GLU 21 0.976 -8.941 -3.966
161 H GLN 22 H GLN 22 2.462 -9.528 -0.229
162 HA GLN 22 HA GLN 22 0.832 -7.190 -0.292
163 HB2 GLN 22 HB2 GLN 22 1.939 -8.536 2.172
164 HB3 GLN 22 HB1 GLN 22 0.473 -7.578 2.038
165 HG2 GLN 22 HG2 GLN 22 0.963 -10.334 0.937
166 HG3 GLN 22 HG1 GLN 22 -0.118 -9.885 2.250
167 HE21 GLN 22 1HE2 GLN 22 -2.037 -8.850 1.753
168 HE22 GLN 22 2HE2 GLN 22 -2.724 -8.934 0.167
169 H ARG 23 H ARG 23 4.027 -8.028 0.935
170 HA ARG 23 HA ARG 23 4.829 -5.675 2.112
171 HB2 ARG 23 HB2 ARG 23 6.056 -7.775 2.244
172 HB3 ARG 23 HB1 ARG 23 6.351 -7.737 0.518
173 HG2 ARG 23 HG2 ARG 23 8.334 -7.151 1.661
174 HG3 ARG 23 HG1 ARG 23 7.700 -5.725 0.830
175 HD2 ARG 23 HD2 ARG 23 6.786 -4.883 2.910
176 HD3 ARG 23 HD1 ARG 23 7.311 -6.339 3.756
177 HE ARG 23 HE ARG 23 9.513 -5.173 2.524
178 HH11 ARG 23 HH11 ARG 23 7.269 -4.469 5.171
179 HH12 ARG 23 HH12 ARG 23 8.384 -3.615 6.107
180 HH21 ARG 23 HH21 ARG 23 11.087 -4.000 3.817
181 HH22 ARG 23 HH22 ARG 23 10.633 -3.326 5.315
182 H ARG 24 H ARG 24 5.198 -6.808 -1.233
183 HA ARG 24 HA ARG 24 6.412 -4.536 -2.277
184 HB2 ARG 24 HB2 ARG 24 6.311 -6.732 -3.418
185 HB3 ARG 24 HB1 ARG 24 4.596 -6.496 -3.694
186 HG2 ARG 24 HG2 ARG 24 5.952 -6.048 -5.696
187 HG3 ARG 24 HG1 ARG 24 5.045 -4.632 -5.168
188 HD2 ARG 24 HD2 ARG 24 7.382 -4.119 -5.852
189 HD3 ARG 24 HD1 ARG 24 7.021 -3.656 -4.194
190 HE ARG 24 HE ARG 24 8.085 -6.139 -3.940
191 HH11 ARG 24 HH11 ARG 24 9.274 -3.204 -5.565
192 HH12 ARG 24 HH12 ARG 24 10.904 -3.527 -5.213
193 HH21 ARG 24 HH21 ARG 24 10.287 -6.554 -3.480
194 HH22 ARG 24 HH22 ARG 24 11.505 -5.482 -3.995
195 H CYS 25 H CYS 25 2.973 -5.380 -2.013
196 HA CYS 25 HA CYS 25 1.864 -3.173 -3.254
197 HB2 CYS 25 HB2 CYS 25 0.912 -4.969 -1.080
198 HB3 CYS 25 HB1 CYS 25 0.020 -3.486 -1.384
199 H GLN 26 H GLN 26 2.631 -3.467 0.217
200 HA GLN 26 HA GLN 26 1.894 -0.777 0.657
201 HB2 GLN 26 HB2 GLN 26 3.286 -2.777 2.376
202 HB3 GLN 26 HB1 GLN 26 3.221 -1.093 2.868
203 HG2 GLN 26 HG2 GLN 26 1.447 -2.325 3.939
204 HG3 GLN 26 HG1 GLN 26 0.765 -1.179 2.798
205 HE21 GLN 26 1HE2 GLN 26 1.300 -4.501 3.542
206 HE22 GLN 26 2HE2 GLN 26 0.211 -5.152 2.380
207 H GLN 27 H GLN 27 4.965 -2.250 -0.111
208 HA GLN 27 HA GLN 27 6.557 0.020 0.386
209 HB2 GLN 27 HB2 GLN 27 6.952 -2.122 -1.718
210 HB3 GLN 27 HB1 GLN 27 8.139 -0.901 -1.300
211 HG2 GLN 27 HG2 GLN 27 7.121 -3.122 0.451
212 HG3 GLN 27 HG1 GLN 27 8.728 -2.960 -0.252
213 HE21 GLN 27 1HE2 GLN 27 10.124 -1.383 0.590
214 HE22 GLN 27 2HE2 GLN 27 9.878 -0.706 2.153
215 H GLU 28 H GLU 28 4.911 -1.047 -2.573
216 HA GLU 28 HA GLU 28 5.663 1.265 -4.037
217 HB2 GLU 28 HB2 GLU 28 3.457 -0.709 -4.541
218 HB3 GLU 28 HB1 GLU 28 3.968 0.528 -5.675
219 HG2 GLU 28 HG2 GLU 28 6.251 -0.544 -5.611
220 HG3 GLU 28 HG1 GLU 28 5.491 -1.870 -4.728
221 H CYS 29 H CYS 29 2.986 0.467 -2.003
222 HA CYS 29 HA CYS 29 1.215 2.500 -2.723
223 HB2 CYS 29 HB2 CYS 29 0.810 0.460 -1.231
224 HB3 CYS 29 HB1 CYS 29 1.565 1.388 0.060
225 H GLU 30 H GLU 30 3.656 2.365 -0.091
226 HA GLU 30 HA GLU 30 3.286 5.097 0.546
227 HB2 GLU 30 HB2 GLU 30 5.486 3.177 1.312
228 HB3 GLU 30 HB1 GLU 30 5.349 4.813 1.942
229 HG2 GLU 30 HG2 GLU 30 3.137 4.242 2.870
230 HG3 GLU 30 HG1 GLU 30 3.350 2.590 2.298
231 H GLU 31 H GLU 31 5.266 3.401 -1.717
232 HA GLU 31 HA GLU 31 7.155 5.397 -2.315
233 HB2 GLU 31 HB2 GLU 31 7.109 2.970 -3.112
234 HB3 GLU 31 HB1 GLU 31 5.929 3.489 -4.305
235 HG2 GLU 31 HG2 GLU 31 8.055 3.408 -5.356
236 HG3 GLU 31 HG1 GLU 31 7.616 5.106 -5.162
237 H ARG 32 H ARG 32 3.924 4.708 -3.569
238 HA ARG 32 HA ARG 32 3.800 6.860 -5.420
239 HB2 ARG 32 HB2 ARG 32 2.270 4.945 -5.611
240 HB3 ARG 32 HB1 ARG 32 1.548 5.351 -4.060
241 HG2 ARG 32 HG2 ARG 32 0.773 7.480 -4.986
242 HG3 ARG 32 HG1 ARG 32 1.471 7.050 -6.542
243 HD2 ARG 32 HD2 ARG 32 -0.046 5.145 -6.699
244 HD3 ARG 32 HD1 ARG 32 -0.720 5.544 -5.117
245 HE ARG 32 HE ARG 32 -1.102 7.816 -6.351
246 HH11 ARG 32 HH11 ARG 32 -1.764 4.557 -7.557
247 HH12 ARG 32 HH12 ARG 32 -3.013 5.045 -8.603
248 HH21 ARG 32 HH21 ARG 32 -2.819 8.468 -7.793
249 HH22 ARG 32 HH22 ARG 32 -3.636 7.321 -8.733
250 H LEU 33 H LEU 33 2.864 6.465 -2.069
251 HA LEU 33 HA LEU 33 1.665 8.978 -1.675
252 HB2 LEU 33 HB2 LEU 33 1.464 7.128 -0.067
253 HB3 LEU 33 HB1 LEU 33 3.178 7.233 0.274
254 HG LEU 33 HG LEU 33 2.861 9.423 1.316
255 HD11 LEU 33 HD11 LEU 33 0.617 10.290 1.713
256 HD12 LEU 33 HD12 LEU 33 -0.060 8.998 0.716
257 HD13 LEU 33 HD13 LEU 33 0.985 10.220 -0.010
258 HD21 LEU 33 HD21 LEU 33 2.670 7.399 2.681
259 HD22 LEU 33 HD22 LEU 33 0.939 7.346 2.358
260 HD23 LEU 33 HD23 LEU 33 1.625 8.685 3.277
261 H ARG 34 H ARG 34 4.965 7.864 -1.552
262 HA ARG 34 HA ARG 34 6.887 8.845 -2.090
263 HB2 ARG 34 HB2 ARG 34 5.551 10.283 -3.613
264 HB3 ARG 34 HB1 ARG 34 5.370 11.435 -2.308
265 HG2 ARG 34 HG2 ARG 34 7.772 11.814 -2.303
266 HG3 ARG 34 HG1 ARG 34 7.956 10.639 -3.614
267 HD2 ARG 34 HD2 ARG 34 6.363 11.992 -4.952
268 HD3 ARG 34 HD1 ARG 34 6.403 13.206 -3.679
269 HE ARG 34 HE ARG 34 9.012 12.758 -4.406
270 HH11 ARG 34 HH11 ARG 34 6.040 13.952 -5.902
271 HH12 ARG 34 HH12 ARG 34 6.819 14.872 -7.095
272 HH21 ARG 34 HH21 ARG 34 10.101 14.021 -6.032
273 HH22 ARG 34 HH22 ARG 34 9.211 14.903 -7.190
274 H ASP 35 H ASP 35 8.385 9.023 -0.700
275 HA ASP 35 HA ASP 35 9.611 9.440 1.114
276 HB2 ASP 35 HB2 ASP 35 7.958 11.974 1.453
277 HB3 ASP 35 HB1 ASP 35 9.456 11.618 2.285
Start of MODEL 6
1 H PCA 1 H PGL 1 -7.357 11.661 2.005
2 HA PCA 1 HA PGL 1 -6.306 9.698 3.175
3 HB2 PCA 1 HB1 PGL 1 -7.044 9.566 5.326
4 HB3 PCA 1 HB2 PGL 1 -8.549 8.840 4.696
5 HG2 PCA 1 HG1 PGL 1 -8.172 11.499 5.802
6 HG3 PCA 1 HG2 PGL 1 -9.682 10.748 5.176
7 H LYS 2 H LYS 2 -8.752 10.348 1.167
8 HA LYS 2 HA LYS 2 -10.007 7.809 0.977
9 HB2 LYS 2 HB2 LYS 2 -9.987 10.151 -0.914
10 HB3 LYS 2 HB1 LYS 2 -10.971 8.712 -1.126
11 HG2 LYS 2 HG2 LYS 2 -12.062 9.201 1.051
12 HG3 LYS 2 HG1 LYS 2 -11.134 10.697 1.126
13 HD2 LYS 2 HD2 LYS 2 -12.189 11.491 -0.906
14 HD3 LYS 2 HD1 LYS 2 -13.051 9.962 -1.083
15 HE2 LYS 2 HE2 LYS 2 -14.185 10.395 1.072
16 HE3 LYS 2 HE1 LYS 2 -13.370 11.949 1.166
17 HZ1 LYS 2 HZ1 LYS 2 -14.515 12.645 -0.845
18 HZ2 LYS 2 HZ2 LYS 2 -15.651 12.090 0.289
19 HZ3 LYS 2 HZ3 LYS 2 -15.218 11.126 -0.992
20 H GLU 3 H GLU 3 -7.409 9.423 -0.790
21 HA GLU 3 HA GLU 3 -7.119 7.346 -2.712
22 HB2 GLU 3 HB2 GLU 3 -6.320 9.664 -3.076
23 HB3 GLU 3 HB1 GLU 3 -5.148 9.460 -1.790
24 HG2 GLU 3 HG2 GLU 3 -4.057 9.296 -3.892
25 HG3 GLU 3 HG1 GLU 3 -4.058 7.717 -3.106
26 H THR 4 H THR 4 -5.913 8.063 0.345
27 HA THR 4 HA THR 4 -3.899 6.107 0.670
28 HB THR 4 HB THR 4 -5.731 7.168 2.796
29 HG1 THR 4 HG1 THR 4 -3.716 8.720 2.890
30 HG21 THR 4 HG21 THR 4 -4.229 5.389 3.552
31 HG22 THR 4 HG22 THR 4 -3.729 6.931 4.252
32 HG23 THR 4 HG23 THR 4 -2.845 6.255 2.885
33 H GLU 5 H GLU 5 -7.368 6.136 1.359
34 HA GLU 5 HA GLU 5 -7.567 3.605 2.532
35 HB2 GLU 5 HB2 GLU 5 -9.233 5.450 2.689
36 HB3 GLU 5 HB1 GLU 5 -9.671 5.138 1.020
37 HG2 GLU 5 HG2 GLU 5 -10.377 2.883 1.636
38 HG3 GLU 5 HG1 GLU 5 -9.960 3.226 3.315
39 H ILE 6 H ILE 6 -8.045 4.725 -0.790
40 HA ILE 6 HA ILE 6 -8.776 2.268 -1.964
41 HB ILE 6 HB ILE 6 -7.159 4.504 -3.224
42 HG12 ILE 6 HG12 ILE 6 -10.149 4.097 -3.326
43 HG13 ILE 6 HG11 ILE 6 -9.352 5.207 -2.214
44 HG21 ILE 6 HG21 ILE 6 -8.851 2.347 -4.499
45 HG22 ILE 6 HG22 ILE 6 -7.090 2.446 -4.541
46 HG23 ILE 6 HG23 ILE 6 -8.063 3.670 -5.358
47 HD11 ILE 6 HD11 ILE 6 -9.296 5.324 -5.211
48 HD12 ILE 6 HD12 ILE 6 -8.379 6.352 -4.119
49 HD13 ILE 6 HD13 ILE 6 -10.151 6.432 -4.115
50 H CYS 7 H CYS 7 -5.668 3.884 -1.722
51 HA CYS 7 HA CYS 7 -3.940 2.052 -2.822
52 HB2 CYS 7 HB2 CYS 7 -3.407 4.379 -1.955
53 HB3 CYS 7 HB1 CYS 7 -3.334 3.687 -0.345
54 H ARG 8 H ARG 8 -5.087 2.122 0.546
55 HA ARG 8 HA ARG 8 -3.653 -0.226 1.245
56 HB2 ARG 8 HB2 ARG 8 -4.250 1.290 3.019
57 HB3 ARG 8 HB1 ARG 8 -5.958 1.156 2.627
58 HG2 ARG 8 HG2 ARG 8 -5.405 -0.129 4.633
59 HG3 ARG 8 HG1 ARG 8 -5.954 -1.185 3.331
60 HD2 ARG 8 HD2 ARG 8 -3.567 -1.649 2.794
61 HD3 ARG 8 HD1 ARG 8 -3.112 -0.710 4.215
62 HE ARG 8 HE ARG 8 -4.870 -3.053 4.482
63 HH11 ARG 8 HH11 ARG 8 -1.820 -1.421 5.286
64 HH12 ARG 8 HH12 ARG 8 -1.359 -2.583 6.426
65 HH21 ARG 8 HH21 ARG 8 -4.215 -4.619 6.026
66 HH22 ARG 8 HH22 ARG 8 -2.706 -4.451 6.837
67 H GLN 9 H GLN 9 -6.994 0.390 0.308
68 HA GLN 9 HA GLN 9 -8.013 -2.137 0.897
69 HB2 GLN 9 HB2 GLN 9 -9.425 -0.146 0.497
70 HB3 GLN 9 HB1 GLN 9 -9.012 -0.221 -1.206
71 HG2 GLN 9 HG2 GLN 9 -11.217 -1.158 -0.786
72 HG3 GLN 9 HG1 GLN 9 -10.108 -2.372 -1.411
73 HE21 GLN 9 1HE2 GLN 9 -10.050 -1.294 1.944
74 HE22 GLN 9 2HE2 GLN 9 -10.651 -2.762 2.605
75 H TRP 10 H TRP 10 -6.585 -0.930 -2.103
76 HA TRP 10 HA TRP 10 -7.221 -3.068 -3.786
77 HB2 TRP 10 HB2 TRP 10 -6.171 -0.881 -4.486
78 HB3 TRP 10 HB1 TRP 10 -4.655 -1.471 -3.829
79 HD1 TRP 10 HD TRP 10 -7.102 -2.162 -6.718
80 HE1 TRP 10 HE1 TRP 10 -5.830 -3.418 -8.573
81 HE3 TRP 10 3HE TRP 10 -2.720 -2.929 -4.294
82 HZ2 TRP 10 HZ2 TRP 10 -3.283 -4.575 -8.959
83 HZ3 TRP 10 HZ3 TRP 10 -0.884 -4.121 -5.463
84 HH2 TRP 10 HH TRP 10 -1.173 -4.926 -7.750
85 H CYS 11 H CYS 11 -4.392 -2.655 -1.723
86 HA CYS 11 HA CYS 11 -3.382 -5.250 -2.352
87 HB2 CYS 11 HB2 CYS 11 -2.620 -3.241 -0.254
88 HB3 CYS 11 HB1 CYS 11 -1.744 -4.743 -0.549
89 H GLN 12 H GLN 12 -5.425 -3.913 0.128
90 HA GLN 12 HA GLN 12 -5.114 -5.971 2.019
91 HB2 GLN 12 HB2 GLN 12 -6.050 -3.748 2.560
92 HB3 GLN 12 HB1 GLN 12 -7.496 -4.157 1.647
93 HG2 GLN 12 HG2 GLN 12 -7.828 -4.432 4.057
94 HG3 GLN 12 HG1 GLN 12 -8.000 -5.960 3.191
95 HE21 GLN 12 1HE2 GLN 12 -6.415 -7.545 3.448
96 HE22 GLN 12 2HE2 GLN 12 -5.261 -7.475 4.747
97 H VAL 13 H VAL 13 -7.422 -5.447 -0.617
98 HA VAL 13 HA VAL 13 -8.790 -7.918 -0.025
99 HB VAL 13 HB VAL 13 -9.971 -5.862 -0.903
100 HG11 VAL 13 HG11 VAL 13 -9.999 -5.424 -3.303
101 HG12 VAL 13 HG12 VAL 13 -8.691 -6.587 -3.512
102 HG13 VAL 13 3HG1 VAL 13 -8.423 -5.121 -2.570
103 HG21 VAL 13 HG21 VAL 13 -11.102 -7.994 -0.953
104 HG22 VAL 13 HG22 VAL 13 -10.332 -8.394 -2.487
105 HG23 VAL 13 HG23 VAL 13 -11.505 -7.078 -2.408
106 H MET 14 H MET 14 -6.169 -6.875 -1.972
107 HA MET 14 HA MET 14 -6.045 -8.879 -3.935
108 HB2 MET 14 HB2 MET 14 -4.564 -6.949 -4.012
109 HB3 MET 14 HB1 MET 14 -3.844 -7.403 -2.477
110 HG2 MET 14 HG2 MET 14 -2.955 -9.447 -3.549
111 HG3 MET 14 HG1 MET 14 -3.590 -8.873 -5.091
112 HE1 MET 14 HE1 MET 14 0.313 -8.405 -5.341
113 HE2 MET 14 HE2 MET 14 -1.099 -9.207 -6.028
114 HE3 MET 14 3HE MET 14 -0.517 -9.659 -4.425
115 H LYS 15 H LYS 15 -4.458 -8.708 -0.751
116 HA LYS 15 HA LYS 15 -4.966 -11.488 -0.367
117 HB2 LYS 15 HB2 LYS 15 -2.836 -11.587 -1.594
118 HB3 LYS 15 HB1 LYS 15 -2.112 -10.477 -0.444
119 HG2 LYS 15 HG2 LYS 15 -1.451 -12.825 -0.047
120 HG3 LYS 15 HG1 LYS 15 -2.296 -12.116 1.330
121 HD2 LYS 15 HD2 LYS 15 -4.352 -13.236 0.683
122 HD3 LYS 15 HD1 LYS 15 -3.582 -13.882 -0.762
123 HE2 LYS 15 HE2 LYS 15 -2.800 -14.492 2.086
124 HE3 LYS 15 HE1 LYS 15 -3.755 -15.542 1.047
125 HZ1 LYS 15 HZ1 LYS 15 -0.928 -14.737 0.615
126 HZ2 LYS 15 HZ2 LYS 15 -1.819 -15.633 -0.478
127 HZ3 LYS 15 HZ3 LYS 15 -1.471 -16.266 1.043
128 HA PRO 16 HA PRO 16 -5.415 -9.311 3.582
129 HB2 PRO 16 HB2 PRO 16 -6.677 -11.940 4.163
130 HB3 PRO 16 HB1 PRO 16 -7.305 -10.315 4.460
131 HG2 PRO 16 HG2 PRO 16 -8.304 -11.823 2.504
132 HG3 PRO 16 HG1 PRO 16 -8.083 -10.076 2.289
133 HD2 PRO 16 HD2 PRO 16 -6.410 -12.335 1.272
134 HD3 PRO 16 HD1 PRO 16 -6.873 -10.819 0.469
135 H GLN 17 H GLN 17 -3.660 -9.377 4.795
136 HA GLN 17 HA GLN 17 -1.781 -9.969 5.773
137 HB2 GLN 17 HB2 GLN 17 -3.282 -12.534 6.277
138 HB3 GLN 17 HB1 GLN 17 -1.694 -12.198 6.953
139 HG2 GLN 17 HG2 GLN 17 -2.579 -10.278 8.128
140 HG3 GLN 17 HG1 GLN 17 -4.165 -10.548 7.405
141 HE21 GLN 17 1HE2 GLN 17 -5.075 -10.733 9.410
142 HE22 GLN 17 2HE2 GLN 17 -4.911 -12.129 10.394
143 H GLY 18 H GLY 18 -0.846 -9.721 3.750
144 HA2 GLY 18 HA2 GLY 18 0.113 -12.229 2.563
145 HA3 GLY 18 HA1 GLY 18 0.108 -10.656 1.764
146 H GLY 19 H GLY 19 2.388 -12.163 1.851
147 HA2 GLY 19 HA2 GLY 19 3.985 -10.987 3.993
148 HA3 GLY 19 HA1 GLY 19 4.455 -12.344 2.975
149 H GLU 20 H GLU 20 5.227 -11.974 0.927
150 HA GLU 20 HA GLU 20 6.949 -9.763 0.728
151 HB2 GLU 20 HB2 GLU 20 7.344 -12.047 -0.229
152 HB3 GLU 20 HB1 GLU 20 6.177 -11.669 -1.483
153 HG2 GLU 20 HG2 GLU 20 8.341 -11.343 -2.389
154 HG3 GLU 20 HG1 GLU 20 7.614 -9.757 -2.147
155 H GLU 21 H GLU 21 3.969 -10.533 -1.082
156 HA GLU 21 HA GLU 21 4.097 -8.252 -2.754
157 HB2 GLU 21 HB2 GLU 21 1.732 -9.961 -1.984
158 HB3 GLU 21 HB1 GLU 21 1.670 -8.668 -3.162
159 HG2 GLU 21 HG2 GLU 21 3.542 -10.994 -3.389
160 HG3 GLU 21 HG1 GLU 21 1.932 -10.947 -4.108
161 H GLN 22 H GLN 22 2.603 -8.803 0.350
162 HA GLN 22 HA GLN 22 1.272 -6.287 0.389
163 HB2 GLN 22 HB2 GLN 22 0.647 -8.273 1.790
164 HB3 GLN 22 HB1 GLN 22 2.072 -7.975 2.766
165 HG2 GLN 22 HG2 GLN 22 1.183 -5.788 3.390
166 HG3 GLN 22 HG1 GLN 22 -0.248 -6.091 2.405
167 HE21 GLN 22 1HE2 GLN 22 1.389 -6.821 5.332
168 HE22 GLN 22 2HE2 GLN 22 0.102 -7.695 6.081
169 H ARG 23 H ARG 23 4.442 -7.437 1.374
170 HA ARG 23 HA ARG 23 5.365 -5.157 2.716
171 HB2 ARG 23 HB2 ARG 23 6.487 -7.340 2.774
172 HB3 ARG 23 HB1 ARG 23 6.822 -7.213 1.059
173 HG2 ARG 23 HG2 ARG 23 8.229 -5.286 1.466
174 HG3 ARG 23 HG1 ARG 23 7.904 -5.421 3.198
175 HD2 ARG 23 HD2 ARG 23 9.170 -7.571 1.507
176 HD3 ARG 23 HD1 ARG 23 10.060 -6.459 2.545
177 HE ARG 23 HE ARG 23 8.607 -7.415 4.375
178 HH11 ARG 23 HH11 ARG 23 9.439 -9.402 1.528
179 HH12 ARG 23 HH12 ARG 23 9.619 -10.827 2.435
180 HH21 ARG 23 HH21 ARG 23 8.838 -9.374 5.577
181 HH22 ARG 23 HH22 ARG 23 9.254 -10.830 4.789
182 H ARG 24 H ARG 24 5.458 -6.177 -0.667
183 HA ARG 24 HA ARG 24 6.756 -3.988 -1.799
184 HB2 ARG 24 HB2 ARG 24 6.344 -5.905 -3.159
185 HB3 ARG 24 HB1 ARG 24 4.604 -5.809 -2.910
186 HG2 ARG 24 HG2 ARG 24 4.523 -3.757 -4.215
187 HG3 ARG 24 HG1 ARG 24 6.270 -3.795 -4.412
188 HD2 ARG 24 HD2 ARG 24 5.089 -4.586 -6.414
189 HD3 ARG 24 HD1 ARG 24 6.112 -5.829 -5.712
190 HE ARG 24 HE ARG 24 4.270 -7.091 -5.242
191 HH11 ARG 24 HH11 ARG 24 2.989 -3.826 -5.986
192 HH12 ARG 24 HH12 ARG 24 1.522 -4.408 -6.590
193 HH21 ARG 24 HH21 ARG 24 2.213 -7.852 -6.097
194 HH22 ARG 24 HH22 ARG 24 1.039 -6.752 -6.642
195 H CYS 25 H CYS 25 3.318 -4.535 -1.236
196 HA CYS 25 HA CYS 25 2.340 -2.133 -2.163
197 HB2 CYS 25 HB2 CYS 25 1.356 -3.988 -0.040
198 HB3 CYS 25 HB1 CYS 25 0.483 -2.519 -0.462
199 H GLN 26 H GLN 26 3.613 -2.862 1.048
200 HA GLN 26 HA GLN 26 3.001 -0.438 2.291
201 HB2 GLN 26 HB2 GLN 26 5.449 -2.154 2.647
202 HB3 GLN 26 HB1 GLN 26 4.944 -0.885 3.748
203 HG2 GLN 26 HG2 GLN 26 2.903 -2.128 4.216
204 HG3 GLN 26 HG1 GLN 26 3.438 -3.414 3.128
205 HE21 GLN 26 1HE2 GLN 26 3.520 -4.950 4.726
206 HE22 GLN 26 2HE2 GLN 26 4.687 -4.925 5.992
207 H GLN 27 H GLN 27 5.871 -1.371 0.483
208 HA GLN 27 HA GLN 27 7.206 1.102 0.693
209 HB2 GLN 27 HB2 GLN 27 8.427 -0.900 0.152
210 HB3 GLN 27 HB1 GLN 27 7.475 -1.137 -1.306
211 HG2 GLN 27 HG2 GLN 27 8.429 0.889 -2.267
212 HG3 GLN 27 HG1 GLN 27 9.375 1.144 -0.802
213 HE21 GLN 27 1HE2 GLN 27 11.296 1.021 -1.924
214 HE22 GLN 27 2HE2 GLN 27 11.908 -0.471 -2.541
215 H GLU 28 H GLU 28 5.245 -0.295 -1.925
216 HA GLU 28 HA GLU 28 5.479 1.868 -3.673
217 HB2 GLU 28 HB2 GLU 28 3.198 -0.085 -3.419
218 HB3 GLU 28 HB1 GLU 28 3.408 1.041 -4.746
219 HG2 GLU 28 HG2 GLU 28 5.581 -0.086 -5.242
220 HG3 GLU 28 HG1 GLU 28 5.150 -1.298 -4.031
221 H CYS 29 H CYS 29 3.005 1.174 -1.217
222 HA CYS 29 HA CYS 29 1.378 3.335 -1.925
223 HB2 CYS 29 HB2 CYS 29 0.762 1.309 -0.470
224 HB3 CYS 29 HB1 CYS 29 1.504 2.192 0.860
225 H GLU 30 H GLU 30 4.012 3.084 0.474
226 HA GLU 30 HA GLU 30 3.579 5.640 1.568
227 HB2 GLU 30 HB2 GLU 30 6.135 4.075 1.405
228 HB3 GLU 30 HB1 GLU 30 5.898 5.516 2.375
229 HG2 GLU 30 HG2 GLU 30 4.130 4.299 3.616
230 HG3 GLU 30 HG1 GLU 30 4.569 2.850 2.708
231 H GLU 31 H GLU 31 5.523 4.578 -1.174
232 HA GLU 31 HA GLU 31 6.654 7.226 -1.387
233 HB2 GLU 31 HB2 GLU 31 7.075 4.863 -3.213
234 HB3 GLU 31 HB1 GLU 31 8.035 6.335 -3.166
235 HG2 GLU 31 HG2 GLU 31 7.854 4.206 -1.039
236 HG3 GLU 31 HG1 GLU 31 9.246 4.598 -2.041
237 H ARG 32 H ARG 32 4.177 5.376 -2.972
238 HA ARG 32 HA ARG 32 3.958 7.146 -5.225
239 HB2 ARG 32 HB2 ARG 32 3.383 4.727 -5.283
240 HB3 ARG 32 HB1 ARG 32 2.047 5.057 -4.208
241 HG2 ARG 32 HG2 ARG 32 0.932 6.354 -5.881
242 HG3 ARG 32 HG1 ARG 32 2.335 6.243 -6.954
243 HD2 ARG 32 HD2 ARG 32 0.667 3.933 -5.975
244 HD3 ARG 32 HD1 ARG 32 0.624 4.623 -7.599
245 HE ARG 32 HE ARG 32 3.151 4.037 -7.450
246 HH11 ARG 32 HH11 ARG 32 0.436 2.007 -6.399
247 HH12 ARG 32 HH12 ARG 32 1.236 0.530 -6.671
248 HH21 ARG 32 HH21 ARG 32 4.263 2.001 -7.794
249 HH22 ARG 32 HH22 ARG 32 3.508 0.525 -7.444
250 H LEU 33 H LEU 33 2.141 6.586 -2.246
251 HA LEU 33 HA LEU 33 0.249 8.675 -2.838
252 HB2 LEU 33 HB2 LEU 33 -0.467 6.739 -1.616
253 HB3 LEU 33 HB1 LEU 33 0.787 6.972 -0.423
254 HG LEU 33 HG LEU 33 -0.366 9.101 0.233
255 HD11 LEU 33 HD11 LEU 33 -1.655 9.458 -1.784
256 HD12 LEU 33 HD12 LEU 33 -2.703 9.363 -0.368
257 HD13 LEU 33 HD13 LEU 33 -2.581 7.990 -1.469
258 HD21 LEU 33 HD21 LEU 33 -1.830 6.499 0.509
259 HD22 LEU 33 HD22 LEU 33 -2.095 7.928 1.506
260 HD23 LEU 33 HD23 LEU 33 -0.539 7.102 1.546
261 H ARG 34 H ARG 34 2.892 8.113 -0.559
262 HA ARG 34 HA ARG 34 4.123 9.375 0.757
263 HB2 ARG 34 HB2 ARG 34 3.501 11.489 -1.286
264 HB3 ARG 34 HB1 ARG 34 4.560 11.791 0.076
265 HG2 ARG 34 HG2 ARG 34 5.942 9.839 -0.740
266 HG3 ARG 34 HG1 ARG 34 4.964 9.888 -2.208
267 HD2 ARG 34 HD2 ARG 34 7.016 11.166 -2.502
268 HD3 ARG 34 HD1 ARG 34 5.604 12.223 -2.551
269 HE ARG 34 HE ARG 34 6.649 12.038 0.069
270 HH11 ARG 34 HH11 ARG 34 7.315 13.578 -3.046
271 HH12 ARG 34 HH12 ARG 34 8.095 14.935 -2.377
272 HH21 ARG 34 HH21 ARG 34 7.735 13.934 1.000
273 HH22 ARG 34 HH22 ARG 34 8.350 15.143 -0.007
274 H ASP 35 H ASP 35 4.190 11.507 2.039
275 HA ASP 35 HA ASP 35 1.707 12.722 2.598
276 HB2 ASP 35 HB2 ASP 35 1.535 10.693 4.057
277 HB3 ASP 35 HB1 ASP 35 3.035 11.174 4.845
Start of MODEL 7
1 H PCA 1 H PGL 1 -5.764 10.664 4.047
2 HA PCA 1 HA PGL 1 -4.959 8.504 5.303
3 HB2 PCA 1 HB1 PGL 1 -5.893 8.257 7.357
4 HB3 PCA 1 HB2 PGL 1 -7.534 8.396 6.665
5 HG2 PCA 1 HG1 PGL 1 -6.001 10.428 8.076
6 HG3 PCA 1 HG2 PGL 1 -7.667 10.539 7.408
7 H LYS 2 H LYS 2 -7.582 9.815 3.579
8 HA LYS 2 HA LYS 2 -9.019 7.423 3.109
9 HB2 LYS 2 HB2 LYS 2 -9.955 9.729 2.836
10 HB3 LYS 2 HB1 LYS 2 -8.919 9.925 1.430
11 HG2 LYS 2 HG2 LYS 2 -10.026 8.068 0.345
12 HG3 LYS 2 HG1 LYS 2 -11.081 7.881 1.750
13 HD2 LYS 2 HD2 LYS 2 -11.905 10.179 1.397
14 HD3 LYS 2 HD1 LYS 2 -10.899 10.297 -0.048
15 HE2 LYS 2 HE2 LYS 2 -12.108 8.375 -1.008
16 HE3 LYS 2 HE1 LYS 2 -13.152 8.347 0.411
17 HZ1 LYS 2 HZ1 LYS 2 -14.208 9.524 -1.405
18 HZ2 LYS 2 HZ2 LYS 2 -12.910 10.590 -1.520
19 HZ3 LYS 2 HZ3 LYS 2 -13.876 10.598 -0.153
20 H GLU 3 H GLU 3 -6.424 9.133 1.483
21 HA GLU 3 HA GLU 3 -6.379 7.472 -0.802
22 HB2 GLU 3 HB2 GLU 3 -4.254 9.253 0.378
23 HB3 GLU 3 HB1 GLU 3 -4.053 8.390 -1.132
24 HG2 GLU 3 HG2 GLU 3 -6.000 9.595 -2.042
25 HG3 GLU 3 HG1 GLU 3 -6.117 10.490 -0.527
26 H THR 4 H THR 4 -5.120 7.209 2.291
27 HA THR 4 HA THR 4 -3.293 5.076 1.878
28 HB THR 4 HB THR 4 -4.866 5.760 4.340
29 HG1 THR 4 HG1 THR 4 -2.267 6.608 4.242
30 HG21 THR 4 HG21 THR 4 -2.211 4.350 4.010
31 HG22 THR 4 HG22 THR 4 -3.734 3.586 4.468
32 HG23 THR 4 HG23 THR 4 -2.966 4.747 5.554
33 H GLU 5 H GLU 5 -6.680 5.263 2.926
34 HA GLU 5 HA GLU 5 -7.100 2.525 3.316
35 HB2 GLU 5 HB2 GLU 5 -9.112 4.668 2.647
36 HB3 GLU 5 HB1 GLU 5 -9.488 3.078 3.295
37 HG2 GLU 5 HG2 GLU 5 -7.900 5.235 4.667
38 HG3 GLU 5 HG1 GLU 5 -9.548 4.739 5.046
39 H ILE 6 H ILE 6 -7.903 4.575 0.545
40 HA ILE 6 HA ILE 6 -9.070 2.653 -1.140
41 HB ILE 6 HB ILE 6 -7.277 4.955 -1.964
42 HG12 ILE 6 HG12 ILE 6 -10.290 4.938 -1.727
43 HG13 ILE 6 HG11 ILE 6 -9.209 5.594 -0.501
44 HG21 ILE 6 HG21 ILE 6 -7.636 3.392 -3.794
45 HG22 ILE 6 HG22 ILE 6 -8.512 4.891 -4.099
46 HG23 ILE 6 HG23 ILE 6 -9.377 3.461 -3.540
47 HD11 ILE 6 HD11 ILE 6 -10.085 7.357 -1.912
48 HD12 ILE 6 HD12 ILE 6 -9.439 6.528 -3.340
49 HD13 ILE 6 HD13 ILE 6 -8.338 7.159 -2.114
50 H CYS 7 H CYS 7 -5.769 3.787 -1.012
51 HA CYS 7 HA CYS 7 -4.621 2.083 -2.878
52 HB2 CYS 7 HB2 CYS 7 -3.521 4.074 -2.143
53 HB3 CYS 7 HB1 CYS 7 -3.444 3.484 -0.492
54 H ARG 8 H ARG 8 -4.772 1.655 0.688
55 HA ARG 8 HA ARG 8 -3.388 -0.797 0.608
56 HB2 ARG 8 HB2 ARG 8 -3.377 0.403 2.668
57 HB3 ARG 8 HB1 ARG 8 -5.134 0.423 2.731
58 HG2 ARG 8 HG2 ARG 8 -4.225 -1.195 4.324
59 HG3 ARG 8 HG1 ARG 8 -5.162 -1.999 3.070
60 HD2 ARG 8 HD2 ARG 8 -3.052 -2.515 1.886
61 HD3 ARG 8 HD1 ARG 8 -2.151 -1.824 3.230
62 HE ARG 8 HE ARG 8 -3.837 -4.225 3.325
63 HH11 ARG 8 HH11 ARG 8 -1.275 -2.238 4.761
64 HH12 ARG 8 HH12 ARG 8 -0.719 -3.478 5.779
65 HH21 ARG 8 HH21 ARG 8 -3.096 -5.885 4.753
66 HH22 ARG 8 HH22 ARG 8 -1.803 -5.589 5.832
67 H GLN 9 H GLN 9 -6.842 -0.033 0.624
68 HA GLN 9 HA GLN 9 -7.857 -2.576 1.018
69 HB2 GLN 9 HB2 GLN 9 -9.149 -0.446 0.969
70 HB3 GLN 9 HB1 GLN 9 -9.003 -0.446 -0.780
71 HG2 GLN 9 HG2 GLN 9 -10.245 -2.525 -0.898
72 HG3 GLN 9 HG1 GLN 9 -10.364 -2.555 0.862
73 HE21 GLN 9 1HE2 GLN 9 -11.637 -1.027 1.890
74 HE22 GLN 9 2HE2 GLN 9 -12.889 -0.173 1.071
75 H TRP 10 H TRP 10 -6.665 -1.041 -1.877
76 HA TRP 10 HA TRP 10 -7.505 -2.867 -3.817
77 HB2 TRP 10 HB2 TRP 10 -6.457 -0.584 -4.182
78 HB3 TRP 10 HB1 TRP 10 -4.910 -1.321 -3.809
79 HD1 TRP 10 HD TRP 10 -7.603 -1.235 -6.486
80 HE1 TRP 10 HE1 TRP 10 -6.633 -2.226 -8.666
81 HE3 TRP 10 3HE TRP 10 -3.118 -2.915 -4.713
82 HZ2 TRP 10 HZ2 TRP 10 -4.298 -3.515 -9.510
83 HZ3 TRP 10 HZ3 TRP 10 -1.570 -4.012 -6.275
84 HH2 TRP 10 HH TRP 10 -2.152 -4.306 -8.624
85 H CYS 11 H CYS 11 -4.474 -2.695 -1.985
86 HA CYS 11 HA CYS 11 -3.469 -5.140 -3.048
87 HB2 CYS 11 HB2 CYS 11 -2.574 -3.333 -0.825
88 HB3 CYS 11 HB1 CYS 11 -1.742 -4.840 -1.197
89 H GLN 12 H GLN 12 -5.406 -4.297 -0.318
90 HA GLN 12 HA GLN 12 -4.930 -6.621 1.240
91 HB2 GLN 12 HB2 GLN 12 -5.952 -4.436 2.033
92 HB3 GLN 12 HB1 GLN 12 -7.435 -4.935 1.232
93 HG2 GLN 12 HG2 GLN 12 -7.730 -5.515 3.477
94 HG3 GLN 12 HG1 GLN 12 -7.331 -7.023 2.661
95 HE21 GLN 12 1HE2 GLN 12 -7.078 -6.319 5.422
96 HE22 GLN 12 2HE2 GLN 12 -5.433 -6.533 5.870
97 H VAL 13 H VAL 13 -7.432 -5.715 -1.127
98 HA VAL 13 HA VAL 13 -8.687 -8.293 -0.961
99 HB VAL 13 HB VAL 13 -9.972 -6.227 -1.536
100 HG11 VAL 13 HG11 VAL 13 -9.906 -5.327 -3.812
101 HG12 VAL 13 HG12 VAL 13 -8.491 -6.332 -4.139
102 HG13 VAL 13 3HG1 VAL 13 -8.410 -5.068 -2.914
103 HG21 VAL 13 HG21 VAL 13 -11.345 -7.183 -3.355
104 HG22 VAL 13 HG22 VAL 13 -10.960 -8.359 -2.101
105 HG23 VAL 13 HG23 VAL 13 -10.090 -8.392 -3.635
106 H MET 14 H MET 14 -6.089 -6.940 -2.675
107 HA MET 14 HA MET 14 -6.010 -8.734 -4.886
108 HB2 MET 14 HB2 MET 14 -4.795 -6.558 -4.838
109 HB3 MET 14 HB1 MET 14 -3.750 -7.208 -3.589
110 HG2 MET 14 HG2 MET 14 -2.652 -7.258 -5.753
111 HG3 MET 14 HG1 MET 14 -2.906 -8.887 -5.133
112 HE1 MET 14 HE1 MET 14 -4.168 -6.143 -7.639
113 HE2 MET 14 HE2 MET 14 -5.657 -6.542 -6.774
114 HE3 MET 14 3HE MET 14 -5.471 -6.987 -8.468
115 H LYS 15 H LYS 15 -4.315 -8.620 -1.752
116 HA LYS 15 HA LYS 15 -4.154 -11.484 -1.761
117 HB2 LYS 15 HB2 LYS 15 -2.129 -10.753 -2.990
118 HB3 LYS 15 HB1 LYS 15 -1.668 -9.770 -1.611
119 HG2 LYS 15 HG2 LYS 15 -0.404 -11.843 -1.665
120 HG3 LYS 15 HG1 LYS 15 -1.451 -11.786 -0.245
121 HD2 LYS 15 HD2 LYS 15 -3.057 -13.235 -1.317
122 HD3 LYS 15 HD1 LYS 15 -2.128 -13.226 -2.815
123 HE2 LYS 15 HE2 LYS 15 -1.231 -14.334 -0.156
124 HE3 LYS 15 HE1 LYS 15 -1.777 -15.273 -1.535
125 HZ1 LYS 15 HZ1 LYS 15 0.662 -15.156 -1.361
126 HZ2 LYS 15 HZ2 LYS 15 0.622 -13.494 -1.630
127 HZ3 LYS 15 HZ3 LYS 15 0.079 -14.548 -2.808
128 HA PRO 16 HA PRO 16 -5.115 -10.173 2.518
129 HB2 PRO 16 HB2 PRO 16 -5.128 -13.148 2.717
130 HB3 PRO 16 HB1 PRO 16 -6.327 -11.994 3.315
131 HG2 PRO 16 HG2 PRO 16 -6.850 -13.443 1.168
132 HG3 PRO 16 HG1 PRO 16 -7.298 -11.726 1.217
133 HD2 PRO 16 HD2 PRO 16 -4.984 -13.037 -0.148
134 HD3 PRO 16 HD1 PRO 16 -6.048 -11.727 -0.728
135 H GLN 17 H GLN 17 -3.778 -10.102 4.215
136 HA GLN 17 HA GLN 17 -1.844 -9.990 5.351
137 HB2 GLN 17 HB2 GLN 17 -1.271 -12.710 4.128
138 HB3 GLN 17 HB1 GLN 17 -0.263 -11.952 5.350
139 HG2 GLN 17 HG2 GLN 17 -2.122 -12.000 6.925
140 HG3 GLN 17 HG1 GLN 17 -3.149 -12.730 5.693
141 HE21 GLN 17 1HE2 GLN 17 -2.817 -14.868 5.123
142 HE22 GLN 17 2HE2 GLN 17 -1.889 -15.946 6.096
143 H GLY 18 H GLY 18 -0.835 -11.529 2.309
144 HA2 GLY 18 HA2 GLY 18 0.224 -10.559 0.534
145 HA3 GLY 18 HA1 GLY 18 0.367 -9.054 1.417
146 H GLY 19 H GLY 19 1.723 -9.711 3.550
147 HA2 GLY 19 HA2 GLY 19 3.829 -10.231 4.406
148 HA3 GLY 19 HA1 GLY 19 3.952 -11.472 3.162
149 H GLU 20 H GLU 20 5.491 -11.166 1.699
150 HA GLU 20 HA GLU 20 6.950 -8.730 1.571
151 HB2 GLU 20 HB2 GLU 20 6.971 -11.143 -0.235
152 HB3 GLU 20 HB1 GLU 20 8.007 -9.746 -0.487
153 HG2 GLU 20 HG2 GLU 20 7.983 -11.534 1.921
154 HG3 GLU 20 HG1 GLU 20 9.205 -11.500 0.648
155 H GLU 21 H GLU 21 4.249 -10.012 -0.139
156 HA GLU 21 HA GLU 21 4.351 -8.165 -2.298
157 HB2 GLU 21 HB2 GLU 21 2.041 -9.752 -1.201
158 HB3 GLU 21 HB1 GLU 21 2.040 -8.876 -2.728
159 HG2 GLU 21 HG2 GLU 21 3.885 -10.263 -3.501
160 HG3 GLU 21 HG1 GLU 21 3.813 -11.178 -1.995
161 H GLN 22 H GLN 22 3.057 -8.156 0.911
162 HA GLN 22 HA GLN 22 1.406 -5.843 0.512
163 HB2 GLN 22 HB2 GLN 22 1.291 -7.706 2.392
164 HB3 GLN 22 HB1 GLN 22 2.454 -6.660 3.177
165 HG2 GLN 22 HG2 GLN 22 0.212 -6.176 3.947
166 HG3 GLN 22 HG1 GLN 22 0.895 -4.799 3.075
167 HE21 GLN 22 1HE2 GLN 22 -1.352 -7.427 2.909
168 HE22 GLN 22 2HE2 GLN 22 -2.309 -6.831 1.600
169 H ARG 23 H ARG 23 4.576 -6.621 1.727
170 HA ARG 23 HA ARG 23 5.315 -4.021 2.503
171 HB2 ARG 23 HB2 ARG 23 6.996 -6.399 1.694
172 HB3 ARG 23 HB1 ARG 23 7.662 -4.916 2.379
173 HG2 ARG 23 HG2 ARG 23 6.433 -5.219 4.403
174 HG3 ARG 23 HG1 ARG 23 5.567 -6.590 3.726
175 HD2 ARG 23 HD2 ARG 23 7.642 -7.864 3.659
176 HD3 ARG 23 HD1 ARG 23 8.522 -6.467 4.297
177 HE ARG 23 HE ARG 23 6.916 -6.636 6.218
178 HH11 ARG 23 HH11 ARG 23 8.145 -9.511 4.527
179 HH12 ARG 23 HH12 ARG 23 7.806 -10.553 5.820
180 HH21 ARG 23 HH21 ARG 23 6.521 -8.076 7.989
181 HH22 ARG 23 HH22 ARG 23 6.915 -9.730 7.848
182 H ARG 24 H ARG 24 5.643 -5.753 -0.533
183 HA ARG 24 HA ARG 24 6.927 -3.688 -1.952
184 HB2 ARG 24 HB2 ARG 24 6.791 -5.960 -2.820
185 HB3 ARG 24 HB1 ARG 24 5.045 -5.836 -2.936
186 HG2 ARG 24 HG2 ARG 24 5.223 -4.200 -4.688
187 HG3 ARG 24 HG1 ARG 24 6.978 -4.138 -4.493
188 HD2 ARG 24 HD2 ARG 24 6.316 -5.519 -6.410
189 HD3 ARG 24 HD1 ARG 24 7.167 -6.437 -5.170
190 HE ARG 24 HE ARG 24 4.261 -6.476 -5.104
191 HH11 ARG 24 HH11 ARG 24 7.257 -8.178 -5.907
192 HH12 ARG 24 HH12 ARG 24 6.530 -9.699 -6.039
193 HH21 ARG 24 HH21 ARG 24 3.245 -8.596 -5.337
194 HH22 ARG 24 HH22 ARG 24 4.201 -9.947 -5.713
195 H CYS 25 H CYS 25 3.498 -4.461 -1.502
196 HA CYS 25 HA CYS 25 2.441 -2.305 -2.916
197 HB2 CYS 25 HB2 CYS 25 1.420 -4.060 -0.744
198 HB3 CYS 25 HB1 CYS 25 0.531 -2.590 -1.114
199 H GLN 26 H GLN 26 3.509 -2.537 0.432
200 HA GLN 26 HA GLN 26 2.700 -0.052 1.346
201 HB2 GLN 26 HB2 GLN 26 3.587 -1.823 2.785
202 HB3 GLN 26 HB1 GLN 26 5.168 -1.647 2.046
203 HG2 GLN 26 HG2 GLN 26 5.353 0.600 2.970
204 HG3 GLN 26 HG1 GLN 26 3.754 0.430 3.700
205 HE21 GLN 26 1HE2 GLN 26 3.495 -0.976 5.427
206 HE22 GLN 26 2HE2 GLN 26 4.829 -1.570 6.339
207 H GLN 27 H GLN 27 5.704 -1.012 -0.257
208 HA GLN 27 HA GLN 27 7.087 1.417 -0.312
209 HB2 GLN 27 HB2 GLN 27 6.940 -0.609 -2.535
210 HB3 GLN 27 HB1 GLN 27 8.217 0.570 -2.299
211 HG2 GLN 27 HG2 GLN 27 8.922 -0.554 -0.279
212 HG3 GLN 27 HG1 GLN 27 7.581 -1.687 -0.413
213 HE21 GLN 27 1HE2 GLN 27 7.911 -1.889 -3.379
214 HE22 GLN 27 2HE2 GLN 27 9.310 -2.848 -3.599
215 H GLU 28 H GLU 28 4.901 0.045 -2.723
216 HA GLU 28 HA GLU 28 4.903 2.241 -4.477
217 HB2 GLU 28 HB2 GLU 28 2.859 0.052 -4.138
218 HB3 GLU 28 HB1 GLU 28 2.980 1.133 -5.518
219 HG2 GLU 28 HG2 GLU 28 5.054 -0.862 -4.644
220 HG3 GLU 28 HG1 GLU 28 3.956 -1.041 -6.009
221 H CYS 29 H CYS 29 2.778 1.301 -1.850
222 HA CYS 29 HA CYS 29 0.760 3.190 -2.307
223 HB2 CYS 29 HB2 CYS 29 0.789 1.080 -0.778
224 HB3 CYS 29 HB1 CYS 29 1.431 2.179 0.439
225 H GLU 30 H GLU 30 3.647 3.252 -0.217
226 HA GLU 30 HA GLU 30 3.218 5.800 0.851
227 HB2 GLU 30 HB2 GLU 30 5.770 4.272 0.344
228 HB3 GLU 30 HB1 GLU 30 5.712 5.798 1.210
229 HG2 GLU 30 HG2 GLU 30 4.355 3.243 2.043
230 HG3 GLU 30 HG1 GLU 30 5.848 3.890 2.719
231 H GLU 31 H GLU 31 5.015 4.704 -1.983
232 HA GLU 31 HA GLU 31 5.994 7.195 -2.830
233 HB2 GLU 31 HB2 GLU 31 6.845 5.004 -3.586
234 HB3 GLU 31 HB1 GLU 31 5.350 4.728 -4.454
235 HG2 GLU 31 HG2 GLU 31 5.848 6.432 -6.022
236 HG3 GLU 31 HG1 GLU 31 7.207 7.010 -5.058
237 H ARG 32 H ARG 32 3.029 5.518 -3.579
238 HA ARG 32 HA ARG 32 1.906 7.292 -5.433
239 HB2 ARG 32 HB2 ARG 32 1.003 5.096 -5.127
240 HB3 ARG 32 HB1 ARG 32 0.728 5.383 -3.423
241 HG2 ARG 32 HG2 ARG 32 -1.050 6.945 -3.955
242 HG3 ARG 32 HG1 ARG 32 -0.753 6.717 -5.680
243 HD2 ARG 32 HD2 ARG 32 -1.334 4.417 -5.552
244 HD3 ARG 32 HD1 ARG 32 -1.463 4.476 -3.794
245 HE ARG 32 HE ARG 32 -3.274 6.275 -4.576
246 HH11 ARG 32 HH11 ARG 32 -2.685 2.957 -5.665
247 HH12 ARG 32 HH12 ARG 32 -4.309 2.592 -5.990
248 HH21 ARG 32 HH21 ARG 32 -5.574 5.753 -4.991
249 HH22 ARG 32 HH22 ARG 32 -5.970 4.212 -5.600
250 H LEU 33 H LEU 33 1.715 7.135 -1.923
251 HA LEU 33 HA LEU 33 -0.123 9.263 -1.592
252 HB2 LEU 33 HB2 LEU 33 0.270 7.450 0.034
253 HB3 LEU 33 HB1 LEU 33 1.862 8.103 0.350
254 HG LEU 33 HG LEU 33 0.756 10.197 1.157
255 HD11 LEU 33 HD11 LEU 33 -1.373 9.963 0.028
256 HD12 LEU 33 HD12 LEU 33 -1.608 10.055 1.774
257 HD13 LEU 33 HD13 LEU 33 -1.722 8.503 0.952
258 HD21 LEU 33 HD21 LEU 33 1.595 8.499 2.689
259 HD22 LEU 33 HD22 LEU 33 0.059 7.638 2.583
260 HD23 LEU 33 HD23 LEU 33 0.124 9.246 3.308
261 H ARG 34 H ARG 34 3.424 9.050 -1.217
262 HA ARG 34 HA ARG 34 3.860 11.780 -1.952
263 HB2 ARG 34 HB2 ARG 34 3.062 12.070 0.372
264 HB3 ARG 34 HB1 ARG 34 4.305 10.963 0.926
265 HG2 ARG 34 HG2 ARG 34 5.626 12.952 -0.557
266 HG3 ARG 34 HG1 ARG 34 4.466 13.783 0.481
267 HD2 ARG 34 HD2 ARG 34 6.523 13.575 1.682
268 HD3 ARG 34 HD1 ARG 34 5.353 12.473 2.402
269 HE ARG 34 HE ARG 34 7.397 11.558 0.476
270 HH11 ARG 34 HH11 ARG 34 5.726 11.157 3.564
271 HH12 ARG 34 HH12 ARG 34 6.601 9.766 3.989
272 HH21 ARG 34 HH21 ARG 34 8.577 9.690 1.047
273 HH22 ARG 34 HH22 ARG 34 8.295 8.896 2.531
274 H ASP 35 H ASP 35 5.894 11.801 -2.831
275 HA ASP 35 HA ASP 35 7.634 9.587 -2.097
276 HB2 ASP 35 HB2 ASP 35 7.300 9.969 -4.518
277 HB3 ASP 35 HB1 ASP 35 7.961 11.594 -4.341
Start of MODEL 8
1 H PCA 1 H PGL 1 -5.178 10.416 3.928
2 HA PCA 1 HA PGL 1 -4.700 8.280 5.365
3 HB2 PCA 1 HB1 PGL 1 -5.683 8.315 7.410
4 HB3 PCA 1 HB2 PGL 1 -7.293 8.529 6.668
5 HG2 PCA 1 HG1 PGL 1 -5.592 10.540 7.920
6 HG3 PCA 1 HG2 PGL 1 -7.254 10.717 7.260
7 H LYS 2 H LYS 2 -7.303 9.707 3.620
8 HA LYS 2 HA LYS 2 -8.754 7.293 3.124
9 HB2 LYS 2 HB2 LYS 2 -8.573 9.824 1.509
10 HB3 LYS 2 HB1 LYS 2 -9.759 8.557 1.279
11 HG2 LYS 2 HG2 LYS 2 -10.647 9.028 3.524
12 HG3 LYS 2 HG1 LYS 2 -9.479 10.334 3.691
13 HD2 LYS 2 HD2 LYS 2 -11.529 10.203 1.472
14 HD3 LYS 2 HD1 LYS 2 -11.811 11.018 2.997
15 HE2 LYS 2 HE2 LYS 2 -11.197 12.623 1.295
16 HE3 LYS 2 HE1 LYS 2 -9.946 12.557 2.522
17 HZ1 LYS 2 HZ1 LYS 2 -9.204 12.704 0.154
18 HZ2 LYS 2 HZ2 LYS 2 -9.719 11.132 -0.107
19 HZ3 LYS 2 HZ3 LYS 2 -8.479 11.455 0.985
20 H GLU 3 H GLU 3 -6.260 9.078 1.634
21 HA GLU 3 HA GLU 3 -5.878 7.931 -0.852
22 HB2 GLU 3 HB2 GLU 3 -3.680 8.881 1.002
23 HB3 GLU 3 HB1 GLU 3 -3.589 8.782 -0.741
24 HG2 GLU 3 HG2 GLU 3 -3.802 11.081 -0.114
25 HG3 GLU 3 HG1 GLU 3 -5.312 10.589 -0.872
26 H THR 4 H THR 4 -4.381 7.202 2.122
27 HA THR 4 HA THR 4 -2.960 4.949 1.230
28 HB THR 4 HB THR 4 -2.737 4.721 3.835
29 HG1 THR 4 HG1 THR 4 -3.707 6.257 4.900
30 HG21 THR 4 HG21 THR 4 -0.953 5.486 2.300
31 HG22 THR 4 HG22 THR 4 -0.974 6.436 3.785
32 HG23 THR 4 HG23 THR 4 -1.658 7.103 2.303
33 H GLU 5 H GLU 5 -6.053 5.426 2.879
34 HA GLU 5 HA GLU 5 -6.577 2.811 3.713
35 HB2 GLU 5 HB2 GLU 5 -7.951 4.761 4.326
36 HB3 GLU 5 HB1 GLU 5 -8.548 4.849 2.676
37 HG2 GLU 5 HG2 GLU 5 -9.431 2.519 2.984
38 HG3 GLU 5 HG1 GLU 5 -9.037 2.684 4.695
39 H ILE 6 H ILE 6 -7.531 4.443 0.722
40 HA ILE 6 HA ILE 6 -8.762 2.279 -0.593
41 HB ILE 6 HB ILE 6 -7.231 4.593 -1.808
42 HG12 ILE 6 HG12 ILE 6 -10.199 4.391 -1.290
43 HG13 ILE 6 HG11 ILE 6 -9.073 5.242 -0.234
44 HG21 ILE 6 HG21 ILE 6 -8.648 4.221 -3.788
45 HG22 ILE 6 HG22 ILE 6 -9.335 2.794 -3.007
46 HG23 ILE 6 HG23 ILE 6 -7.624 2.830 -3.429
47 HD11 ILE 6 HD11 ILE 6 -9.627 5.870 -3.115
48 HD12 ILE 6 HD12 ILE 6 -8.445 6.667 -2.081
49 HD13 ILE 6 HD13 ILE 6 -10.172 6.804 -1.709
50 H CYS 7 H CYS 7 -5.564 3.627 -0.833
51 HA CYS 7 HA CYS 7 -4.347 1.919 -2.608
52 HB2 CYS 7 HB2 CYS 7 -3.414 4.030 -1.764
53 HB3 CYS 7 HB1 CYS 7 -3.166 3.287 -0.197
54 H ARG 8 H ARG 8 -4.457 1.593 0.944
55 HA ARG 8 HA ARG 8 -3.195 -0.885 1.235
56 HB2 ARG 8 HB2 ARG 8 -3.536 0.485 3.139
57 HB3 ARG 8 HB1 ARG 8 -5.249 0.615 2.830
58 HG2 ARG 8 HG2 ARG 8 -4.903 -0.757 4.769
59 HG3 ARG 8 HG1 ARG 8 -5.510 -1.765 3.468
60 HD2 ARG 8 HD2 ARG 8 -2.575 -1.565 4.063
61 HD3 ARG 8 HD1 ARG 8 -3.626 -2.634 4.976
62 HE ARG 8 HE ARG 8 -3.831 -3.038 2.149
63 HH11 ARG 8 HH11 ARG 8 -1.872 -3.691 4.988
64 HH12 ARG 8 HH12 ARG 8 -1.310 -5.212 4.493
65 HH21 ARG 8 HH21 ARG 8 -3.050 -5.187 1.375
66 HH22 ARG 8 HH22 ARG 8 -1.998 -6.067 2.381
67 H GLN 9 H GLN 9 -6.589 -0.043 0.828
68 HA GLN 9 HA GLN 9 -7.618 -2.601 1.213
69 HB2 GLN 9 HB2 GLN 9 -8.876 -0.462 1.382
70 HB3 GLN 9 HB1 GLN 9 -8.848 -0.354 -0.368
71 HG2 GLN 9 HG2 GLN 9 -10.181 -2.348 -0.554
72 HG3 GLN 9 HG1 GLN 9 -10.119 -2.588 1.192
73 HE21 GLN 9 1HE2 GLN 9 -11.480 -0.738 -1.373
74 HE22 GLN 9 2HE2 GLN 9 -12.677 0.076 -0.438
75 H TRP 10 H TRP 10 -6.581 -0.949 -1.725
76 HA TRP 10 HA TRP 10 -7.449 -2.758 -3.662
77 HB2 TRP 10 HB2 TRP 10 -6.379 -0.555 -4.144
78 HB3 TRP 10 HB1 TRP 10 -4.834 -1.217 -3.632
79 HD1 TRP 10 HD TRP 10 -7.288 -1.235 -6.532
80 HE1 TRP 10 HE1 TRP 10 -6.178 -2.325 -8.573
81 HE3 TRP 10 3HE TRP 10 -3.021 -2.994 -4.335
82 HZ2 TRP 10 HZ2 TRP 10 -3.831 -3.741 -9.189
83 HZ3 TRP 10 HZ3 TRP 10 -1.396 -4.209 -5.726
84 HH2 TRP 10 HH TRP 10 -1.797 -4.574 -8.103
85 H CYS 11 H CYS 11 -4.334 -2.668 -2.000
86 HA CYS 11 HA CYS 11 -3.380 -5.144 -2.964
87 HB2 CYS 11 HB2 CYS 11 -2.637 -3.461 -0.587
88 HB3 CYS 11 HB1 CYS 11 -1.822 -4.974 -0.959
89 H GLN 12 H GLN 12 -5.246 -4.231 -0.168
90 HA GLN 12 HA GLN 12 -4.932 -6.567 1.356
91 HB2 GLN 12 HB2 GLN 12 -5.713 -4.354 2.180
92 HB3 GLN 12 HB1 GLN 12 -7.238 -4.648 1.360
93 HG2 GLN 12 HG2 GLN 12 -7.638 -6.578 2.771
94 HG3 GLN 12 HG1 GLN 12 -6.099 -6.309 3.583
95 HE21 GLN 12 1HE2 GLN 12 -8.334 -3.783 2.581
96 HE22 GLN 12 2HE2 GLN 12 -8.702 -3.269 4.187
97 H VAL 13 H VAL 13 -7.476 -5.544 -0.931
98 HA VAL 13 HA VAL 13 -8.950 -7.945 -0.545
99 HB VAL 13 HB VAL 13 -10.014 -5.805 -1.308
100 HG11 VAL 13 HG11 VAL 13 -8.715 -6.388 -3.952
101 HG12 VAL 13 HG12 VAL 13 -8.390 -5.016 -2.893
102 HG13 VAL 13 3HG1 VAL 13 -9.966 -5.177 -3.671
103 HG21 VAL 13 HG21 VAL 13 -11.236 -7.882 -1.554
104 HG22 VAL 13 HG22 VAL 13 -10.471 -8.176 -3.114
105 HG23 VAL 13 HG23 VAL 13 -11.580 -6.819 -2.920
106 H MET 14 H MET 14 -6.393 -6.958 -2.668
107 HA MET 14 HA MET 14 -6.625 -9.080 -4.544
108 HB2 MET 14 HB2 MET 14 -5.363 -7.043 -5.056
109 HB3 MET 14 HB1 MET 14 -4.229 -7.401 -3.765
110 HG2 MET 14 HG2 MET 14 -3.257 -7.940 -5.908
111 HG3 MET 14 HG1 MET 14 -3.503 -9.408 -4.971
112 HE1 MET 14 HE1 MET 14 -2.882 -9.492 -8.064
113 HE2 MET 14 HE2 MET 14 -4.056 -10.689 -8.611
114 HE3 MET 14 3HE MET 14 -3.195 -10.929 -7.092
115 H LYS 15 H LYS 15 -4.423 -8.608 -1.759
116 HA LYS 15 HA LYS 15 -4.400 -11.439 -1.229
117 HB2 LYS 15 HB2 LYS 15 -1.889 -9.886 -1.876
118 HB3 LYS 15 HB1 LYS 15 -1.884 -11.410 -1.009
119 HG2 LYS 15 HG2 LYS 15 -2.908 -12.479 -2.997
120 HG3 LYS 15 HG1 LYS 15 -2.754 -10.945 -3.854
121 HD2 LYS 15 HD2 LYS 15 -0.333 -10.991 -3.478
122 HD3 LYS 15 HD1 LYS 15 -0.501 -12.533 -2.641
123 HE2 LYS 15 HE2 LYS 15 -1.426 -13.507 -4.719
124 HE3 LYS 15 HE1 LYS 15 -1.142 -11.971 -5.528
125 HZ1 LYS 15 HZ1 LYS 15 1.219 -12.207 -5.039
126 HZ2 LYS 15 HZ2 LYS 15 0.669 -13.513 -5.942
127 HZ3 LYS 15 HZ3 LYS 15 0.927 -13.681 -4.286
128 HA PRO 16 HA PRO 16 -4.579 -9.165 2.660
129 HB2 PRO 16 HB2 PRO 16 -5.065 -11.849 3.778
130 HB3 PRO 16 HB1 PRO 16 -6.071 -10.403 3.878
131 HG2 PRO 16 HG2 PRO 16 -6.768 -12.509 2.356
132 HG3 PRO 16 HG1 PRO 16 -7.142 -10.843 1.883
133 HD2 PRO 16 HD2 PRO 16 -4.972 -12.650 0.900
134 HD3 PRO 16 HD1 PRO 16 -5.999 -11.507 0.005
135 H GLN 17 H GLN 17 -2.747 -8.645 3.491
136 HA GLN 17 HA GLN 17 -0.698 -8.551 4.301
137 HB2 GLN 17 HB2 GLN 17 -1.526 -11.058 5.751
138 HB3 GLN 17 HB1 GLN 17 -0.195 -10.000 6.201
139 HG2 GLN 17 HG2 GLN 17 -1.750 -8.179 6.598
140 HG3 GLN 17 HG1 GLN 17 -3.093 -9.206 6.097
141 HE21 GLN 17 1HE2 GLN 17 -4.117 -9.060 8.034
142 HE22 GLN 17 2HE2 GLN 17 -3.555 -9.830 9.462
143 H GLY 18 H GLY 18 -0.391 -12.027 4.563
144 HA2 GLY 18 HA2 GLY 18 1.047 -13.485 3.559
145 HA3 GLY 18 HA1 GLY 18 1.159 -12.362 2.205
146 H GLY 19 H GLY 19 3.045 -11.537 1.889
147 HA2 GLY 19 HA2 GLY 19 4.670 -10.594 4.038
148 HA3 GLY 19 HA1 GLY 19 5.334 -12.003 3.213
149 H GLU 20 H GLU 20 5.573 -11.867 0.897
150 HA GLU 20 HA GLU 20 7.102 -9.578 0.269
151 HB2 GLU 20 HB2 GLU 20 7.480 -10.606 -1.913
152 HB3 GLU 20 HB1 GLU 20 7.683 -11.774 -0.618
153 HG2 GLU 20 HG2 GLU 20 5.486 -12.693 -1.083
154 HG3 GLU 20 HG1 GLU 20 5.240 -11.499 -2.354
155 H GLU 21 H GLU 21 3.808 -10.473 -0.510
156 HA GLU 21 HA GLU 21 3.532 -8.502 -2.532
157 HB2 GLU 21 HB2 GLU 21 1.080 -8.907 -2.362
158 HB3 GLU 21 HB1 GLU 21 2.001 -10.373 -2.615
159 HG2 GLU 21 HG2 GLU 21 1.117 -9.555 0.133
160 HG3 GLU 21 HG1 GLU 21 0.029 -10.395 -0.961
161 H GLN 22 H GLN 22 2.899 -8.611 0.891
162 HA GLN 22 HA GLN 22 1.710 -6.026 0.893
163 HB2 GLN 22 HB2 GLN 22 1.167 -7.684 2.626
164 HB3 GLN 22 HB1 GLN 22 2.819 -7.594 3.221
165 HG2 GLN 22 HG2 GLN 22 2.523 -5.355 3.949
166 HG3 GLN 22 HG1 GLN 22 0.972 -5.229 3.123
167 HE21 GLN 22 1HE2 GLN 22 2.649 -6.540 5.858
168 HE22 GLN 22 2HE2 GLN 22 1.233 -6.944 6.751
169 H ARG 23 H ARG 23 4.924 -7.274 1.514
170 HA ARG 23 HA ARG 23 6.064 -4.817 2.316
171 HB2 ARG 23 HB2 ARG 23 7.374 -7.212 0.987
172 HB3 ARG 23 HB1 ARG 23 8.256 -5.855 1.673
173 HG2 ARG 23 HG2 ARG 23 6.446 -7.706 3.215
174 HG3 ARG 23 HG1 ARG 23 8.206 -7.795 3.177
175 HD2 ARG 23 HD2 ARG 23 8.365 -5.597 4.163
176 HD3 ARG 23 HD1 ARG 23 6.617 -5.413 4.126
177 HE ARG 23 HE ARG 23 7.315 -7.717 5.561
178 HH11 ARG 23 HH11 ARG 23 7.425 -4.196 5.840
179 HH12 ARG 23 HH12 ARG 23 7.203 -4.163 7.531
180 HH21 ARG 23 HH21 ARG 23 7.008 -7.671 7.932
181 HH22 ARG 23 HH22 ARG 23 6.945 -6.164 8.722
182 H ARG 24 H ARG 24 5.673 -6.316 -0.872
183 HA ARG 24 HA ARG 24 6.930 -4.254 -2.311
184 HB2 ARG 24 HB2 ARG 24 6.325 -6.479 -3.308
185 HB3 ARG 24 HB1 ARG 24 4.636 -6.002 -3.259
186 HG2 ARG 24 HG2 ARG 24 5.050 -4.195 -4.815
187 HG3 ARG 24 HG1 ARG 24 6.774 -4.549 -4.811
188 HD2 ARG 24 HD2 ARG 24 5.750 -5.435 -6.811
189 HD3 ARG 24 HD1 ARG 24 6.293 -6.765 -5.794
190 HE ARG 24 HE ARG 24 3.651 -6.323 -5.147
191 HH11 ARG 24 HH11 ARG 24 5.412 -7.278 -8.096
192 HH12 ARG 24 HH12 ARG 24 4.079 -8.141 -8.735
193 HH21 ARG 24 HH21 ARG 24 1.870 -7.470 -6.069
194 HH22 ARG 24 HH22 ARG 24 2.023 -8.227 -7.588
195 H CYS 25 H CYS 25 3.538 -4.789 -1.402
196 HA CYS 25 HA CYS 25 2.531 -2.477 -2.520
197 HB2 CYS 25 HB2 CYS 25 1.562 -4.169 -0.261
198 HB3 CYS 25 HB1 CYS 25 0.736 -2.674 -0.683
199 H GLN 26 H GLN 26 4.132 -2.842 0.603
200 HA GLN 26 HA GLN 26 3.499 -0.286 1.554
201 HB2 GLN 26 HB2 GLN 26 5.932 -2.000 2.020
202 HB3 GLN 26 HB1 GLN 26 5.680 -0.464 2.837
203 HG2 GLN 26 HG2 GLN 26 3.609 -1.318 3.802
204 HG3 GLN 26 HG1 GLN 26 3.869 -2.858 2.984
205 HE21 GLN 26 1HE2 GLN 26 4.992 -0.726 5.462
206 HE22 GLN 26 2HE2 GLN 26 5.928 -1.889 6.325
207 H GLN 27 H GLN 27 6.249 -1.363 -0.382
208 HA GLN 27 HA GLN 27 7.404 1.190 -0.666
209 HB2 GLN 27 HB2 GLN 27 7.584 -1.181 -2.534
210 HB3 GLN 27 HB1 GLN 27 8.613 0.240 -2.606
211 HG2 GLN 27 HG2 GLN 27 8.468 -1.749 -0.353
212 HG3 GLN 27 HG1 GLN 27 9.767 -1.593 -1.533
213 HE21 GLN 27 1HE2 GLN 27 8.323 -0.285 1.312
214 HE22 GLN 27 2HE2 GLN 27 9.551 0.848 1.687
215 H GLU 28 H GLU 28 5.166 -0.591 -2.713
216 HA GLU 28 HA GLU 28 4.918 1.287 -4.783
217 HB2 GLU 28 HB2 GLU 28 2.928 -0.751 -3.791
218 HB3 GLU 28 HB1 GLU 28 2.829 0.089 -5.327
219 HG2 GLU 28 HG2 GLU 28 5.082 -1.733 -4.516
220 HG3 GLU 28 HG1 GLU 28 3.710 -2.217 -5.504
221 H CYS 29 H CYS 29 2.955 0.811 -1.853
222 HA CYS 29 HA CYS 29 0.979 2.701 -2.496
223 HB2 CYS 29 HB2 CYS 29 0.840 0.825 -0.784
224 HB3 CYS 29 HB1 CYS 29 1.739 1.881 0.301
225 H GLU 30 H GLU 30 3.913 2.936 -0.485
226 HA GLU 30 HA GLU 30 3.375 5.637 0.154
227 HB2 GLU 30 HB2 GLU 30 5.909 4.027 0.388
228 HB3 GLU 30 HB1 GLU 30 5.700 5.647 1.050
229 HG2 GLU 30 HG2 GLU 30 3.886 4.822 2.484
230 HG3 GLU 30 HG1 GLU 30 4.111 3.205 1.827
231 H GLU 31 H GLU 31 4.936 4.048 -2.491
232 HA GLU 31 HA GLU 31 6.292 6.278 -3.600
233 HB2 GLU 31 HB2 GLU 31 6.710 3.951 -4.325
234 HB3 GLU 31 HB1 GLU 31 5.074 3.845 -4.945
235 HG2 GLU 31 HG2 GLU 31 5.612 5.575 -6.603
236 HG3 GLU 31 HG1 GLU 31 7.261 5.625 -5.984
237 H ARG 32 H ARG 32 3.045 4.988 -3.917
238 HA ARG 32 HA ARG 32 2.031 6.882 -5.798
239 HB2 ARG 32 HB2 ARG 32 0.505 5.384 -3.663
240 HB3 ARG 32 HB1 ARG 32 -0.195 6.134 -5.084
241 HG2 ARG 32 HG2 ARG 32 1.706 3.821 -5.031
242 HG3 ARG 32 HG1 ARG 32 -0.033 3.738 -5.323
243 HD2 ARG 32 HD2 ARG 32 0.211 4.963 -7.388
244 HD3 ARG 32 HD1 ARG 32 1.911 5.264 -7.048
245 HE ARG 32 HE ARG 32 2.122 2.764 -7.109
246 HH11 ARG 32 HH11 ARG 32 -0.333 4.387 -9.067
247 HH12 ARG 32 HH12 ARG 32 -0.160 3.321 -10.390
248 HH21 ARG 32 HH21 ARG 32 2.320 1.338 -8.860
249 HH22 ARG 32 HH22 ARG 32 1.373 1.519 -10.270
250 H LEU 33 H LEU 33 2.208 6.756 -2.349
251 HA LEU 33 HA LEU 33 0.695 9.112 -1.848
252 HB2 LEU 33 HB2 LEU 33 1.084 7.311 -0.191
253 HB3 LEU 33 HB1 LEU 33 2.769 7.772 -0.119
254 HG LEU 33 HG LEU 33 2.108 9.965 0.804
255 HD11 LEU 33 HD11 LEU 33 -0.663 8.775 0.833
256 HD12 LEU 33 HD12 LEU 33 -0.126 10.153 -0.131
257 HD13 LEU 33 HD13 LEU 33 -0.180 10.273 1.625
258 HD21 LEU 33 HD21 LEU 33 1.077 7.562 2.301
259 HD22 LEU 33 HD22 LEU 33 1.464 9.128 3.011
260 HD23 LEU 33 HD23 LEU 33 2.741 8.149 2.286
261 H ARG 34 H ARG 34 3.985 8.526 -2.713
262 HA ARG 34 HA ARG 34 4.993 11.101 -1.878
263 HB2 ARG 34 HB2 ARG 34 6.395 9.045 -1.848
264 HB3 ARG 34 HB1 ARG 34 6.241 8.937 -3.582
265 HG2 ARG 34 HG2 ARG 34 8.431 9.783 -2.968
266 HG3 ARG 34 HG1 ARG 34 7.522 11.020 -3.828
267 HD2 ARG 34 HD2 ARG 34 7.695 10.887 -0.821
268 HD3 ARG 34 HD1 ARG 34 8.844 11.791 -1.800
269 HE ARG 34 HE ARG 34 6.468 12.757 -2.615
270 HH11 ARG 34 HH11 ARG 34 7.921 12.389 0.601
271 HH12 ARG 34 HH12 ARG 34 7.103 13.717 1.280
272 HH21 ARG 34 HH21 ARG 34 5.332 14.604 -1.664
273 HH22 ARG 34 HH22 ARG 34 5.610 15.006 -0.039
274 H ASP 35 H ASP 35 3.152 10.048 -4.428
275 HA ASP 35 HA ASP 35 4.342 11.569 -6.532
276 HB2 ASP 35 HB2 ASP 35 3.073 9.590 -7.094
277 HB3 ASP 35 HB1 ASP 35 1.641 10.251 -6.317
Start of MODEL 9
1 H PCA 1 H PGL 1 -6.091 11.344 3.559
2 HA PCA 1 HA PGL 1 -5.361 8.982 3.981
3 HB2 PCA 1 HB1 PGL 1 -5.910 8.374 6.111
4 HB3 PCA 1 HB2 PGL 1 -7.568 8.067 5.522
5 HG2 PCA 1 HG1 PGL 1 -6.623 10.260 7.197
6 HG3 PCA 1 HG2 PGL 1 -8.300 9.894 6.659
7 H LYS 2 H LYS 2 -7.506 10.481 2.351
8 HA LYS 2 HA LYS 2 -9.588 8.680 1.753
9 HB2 LYS 2 HB2 LYS 2 -8.434 10.968 0.179
10 HB3 LYS 2 HB1 LYS 2 -9.924 10.132 -0.238
11 HG2 LYS 2 HG2 LYS 2 -10.957 10.851 1.815
12 HG3 LYS 2 HG1 LYS 2 -9.442 11.565 2.365
13 HD2 LYS 2 HD2 LYS 2 -9.519 13.168 0.535
14 HD3 LYS 2 HD1 LYS 2 -11.003 12.426 -0.067
15 HE2 LYS 2 HE2 LYS 2 -12.185 13.054 1.937
16 HE3 LYS 2 HE1 LYS 2 -10.702 13.661 2.669
17 HZ1 LYS 2 HZ1 LYS 2 -10.591 15.350 0.986
18 HZ2 LYS 2 HZ2 LYS 2 -12.072 15.455 1.771
19 HZ3 LYS 2 HZ3 LYS 2 -11.969 14.772 0.222
20 H GLU 3 H GLU 3 -6.616 9.437 -0.051
21 HA GLU 3 HA GLU 3 -7.171 7.153 -1.689
22 HB2 GLU 3 HB2 GLU 3 -5.098 7.609 -2.951
23 HB3 GLU 3 HB1 GLU 3 -6.138 9.012 -2.866
24 HG2 GLU 3 HG2 GLU 3 -4.698 9.999 -1.193
25 HG3 GLU 3 HG1 GLU 3 -3.683 8.555 -1.187
26 H THR 4 H THR 4 -5.689 7.628 1.220
27 HA THR 4 HA THR 4 -3.913 5.453 1.267
28 HB THR 4 HB THR 4 -5.583 6.611 3.482
29 HG1 THR 4 HG1 THR 4 -2.946 7.278 3.497
30 HG21 THR 4 HG21 THR 4 -3.038 4.977 3.630
31 HG22 THR 4 HG22 THR 4 -4.647 4.437 4.107
32 HG23 THR 4 HG23 THR 4 -3.846 5.725 5.009
33 H GLU 5 H GLU 5 -7.358 5.806 2.073
34 HA GLU 5 HA GLU 5 -7.940 3.159 2.703
35 HB2 GLU 5 HB2 GLU 5 -9.668 5.269 1.414
36 HB3 GLU 5 HB1 GLU 5 -10.273 3.728 2.001
37 HG2 GLU 5 HG2 GLU 5 -8.956 5.859 3.662
38 HG3 GLU 5 HG1 GLU 5 -10.685 5.511 3.593
39 H ILE 6 H ILE 6 -8.087 4.854 -0.389
40 HA ILE 6 HA ILE 6 -8.982 2.742 -2.004
41 HB ILE 6 HB ILE 6 -6.991 4.873 -2.815
42 HG12 ILE 6 HG12 ILE 6 -10.006 4.950 -3.005
43 HG13 ILE 6 HG11 ILE 6 -9.062 5.805 -1.789
44 HG21 ILE 6 HG21 ILE 6 -8.921 3.237 -4.470
45 HG22 ILE 6 HG22 ILE 6 -7.170 3.052 -4.431
46 HG23 ILE 6 HG23 ILE 6 -7.886 4.527 -5.081
47 HD11 ILE 6 HD11 ILE 6 -7.915 7.004 -3.572
48 HD12 ILE 6 HD12 ILE 6 -9.656 7.319 -3.551
49 HD13 ILE 6 HD13 ILE 6 -8.958 6.225 -4.759
50 H CYS 7 H CYS 7 -5.719 3.863 -1.455
51 HA CYS 7 HA CYS 7 -4.247 1.986 -2.838
52 HB2 CYS 7 HB2 CYS 7 -3.423 4.114 -1.796
53 HB3 CYS 7 HB1 CYS 7 -3.456 3.295 -0.247
54 H ARG 8 H ARG 8 -5.176 1.891 0.616
55 HA ARG 8 HA ARG 8 -3.906 -0.565 1.120
56 HB2 ARG 8 HB2 ARG 8 -4.394 0.926 2.960
57 HB3 ARG 8 HB1 ARG 8 -6.116 0.842 2.614
58 HG2 ARG 8 HG2 ARG 8 -5.614 -0.524 4.543
59 HG3 ARG 8 HG1 ARG 8 -6.098 -1.557 3.200
60 HD2 ARG 8 HD2 ARG 8 -3.650 -1.907 2.727
61 HD3 ARG 8 HD1 ARG 8 -3.311 -1.075 4.247
62 HE ARG 8 HE ARG 8 -5.036 -3.450 4.193
63 HH11 ARG 8 HH11 ARG 8 -2.129 -1.853 5.464
64 HH12 ARG 8 HH12 ARG 8 -1.713 -3.160 6.460
65 HH21 ARG 8 HH21 ARG 8 -4.443 -5.196 5.524
66 HH22 ARG 8 HH22 ARG 8 -3.043 -5.112 6.520
67 H GLN 9 H GLN 9 -7.287 0.263 0.380
68 HA GLN 9 HA GLN 9 -8.399 -2.252 0.752
69 HB2 GLN 9 HB2 GLN 9 -9.640 -0.101 0.425
70 HB3 GLN 9 HB1 GLN 9 -9.255 -0.196 -1.283
71 HG2 GLN 9 HG2 GLN 9 -11.497 -0.946 -0.985
72 HG3 GLN 9 HG1 GLN 9 -10.506 -2.346 -1.382
73 HE21 GLN 9 1HE2 GLN 9 -13.073 -2.141 -0.011
74 HE22 GLN 9 2HE2 GLN 9 -12.882 -2.920 1.511
75 H TRP 10 H TRP 10 -6.827 -0.849 -2.043
76 HA TRP 10 HA TRP 10 -7.324 -2.766 -4.010
77 HB2 TRP 10 HB2 TRP 10 -6.292 -0.527 -4.320
78 HB3 TRP 10 HB1 TRP 10 -4.833 -1.123 -3.556
79 HD1 TRP 10 HD TRP 10 -6.934 -1.725 -6.759
80 HE1 TRP 10 HE1 TRP 10 -5.301 -2.482 -8.612
81 HE3 TRP 10 3HE TRP 10 -2.784 -2.027 -3.993
82 HZ2 TRP 10 HZ2 TRP 10 -2.551 -3.117 -8.846
83 HZ3 TRP 10 HZ3 TRP 10 -0.613 -2.706 -5.063
84 HH2 TRP 10 HH TRP 10 -0.528 -3.242 -7.447
85 H CYS 11 H CYS 11 -4.491 -2.647 -1.831
86 HA CYS 11 HA CYS 11 -3.640 -5.258 -2.602
87 HB2 CYS 11 HB2 CYS 11 -2.869 -3.552 -0.228
88 HB3 CYS 11 HB1 CYS 11 -2.126 -5.103 -0.592
89 H GLN 12 H GLN 12 -5.652 -4.005 -0.032
90 HA GLN 12 HA GLN 12 -5.719 -6.196 1.693
91 HB2 GLN 12 HB2 GLN 12 -6.519 -3.893 2.202
92 HB3 GLN 12 HB1 GLN 12 -7.904 -4.193 1.164
93 HG2 GLN 12 HG2 GLN 12 -8.533 -4.448 3.469
94 HG3 GLN 12 HG1 GLN 12 -8.608 -6.009 2.650
95 HE21 GLN 12 1HE2 GLN 12 -8.403 -7.140 4.535
96 HE22 GLN 12 2HE2 GLN 12 -6.926 -7.217 5.429
97 H VAL 13 H VAL 13 -7.718 -5.412 -1.129
98 HA VAL 13 HA VAL 13 -9.337 -7.725 -0.645
99 HB VAL 13 HB VAL 13 -10.580 -7.177 -2.675
100 HG11 VAL 13 HG11 VAL 13 -11.249 -6.148 -0.604
101 HG12 VAL 13 HG12 VAL 13 -11.513 -5.037 -1.948
102 HG13 VAL 13 3HG1 VAL 13 -10.130 -4.813 -0.877
103 HG21 VAL 13 HG21 VAL 13 -10.109 -5.105 -3.923
104 HG22 VAL 13 HG22 VAL 13 -8.803 -6.284 -4.075
105 HG23 VAL 13 HG23 VAL 13 -8.623 -4.899 -2.997
106 H MET 14 H MET 14 -6.603 -6.978 -2.695
107 HA MET 14 HA MET 14 -7.051 -9.340 -4.260
108 HB2 MET 14 HB2 MET 14 -4.620 -7.579 -4.111
109 HB3 MET 14 HB1 MET 14 -4.781 -8.942 -5.208
110 HG2 MET 14 HG2 MET 14 -6.790 -7.828 -6.171
111 HG3 MET 14 HG1 MET 14 -6.422 -6.424 -5.172
112 HE1 MET 14 HE1 MET 14 -2.868 -5.439 -6.581
113 HE2 MET 14 HE2 MET 14 -3.148 -6.628 -5.315
114 HE3 MET 14 3HE MET 14 -4.072 -5.124 -5.332
115 H LYS 15 H LYS 15 -4.610 -8.512 -1.790
116 HA LYS 15 HA LYS 15 -4.654 -11.219 -0.904
117 HB2 LYS 15 HB2 LYS 15 -3.123 -11.330 -2.849
118 HB3 LYS 15 HB1 LYS 15 -2.116 -10.110 -2.098
119 HG2 LYS 15 HG2 LYS 15 -1.511 -11.591 -0.331
120 HG3 LYS 15 HG1 LYS 15 -2.676 -12.802 -0.883
121 HD2 LYS 15 HD2 LYS 15 -1.477 -13.036 -2.970
122 HD3 LYS 15 HD1 LYS 15 -0.342 -11.781 -2.486
123 HE2 LYS 15 HE2 LYS 15 0.388 -13.202 -0.624
124 HE3 LYS 15 HE1 LYS 15 -0.746 -14.443 -1.151
125 HZ1 LYS 15 HZ1 LYS 15 1.465 -13.365 -2.805
126 HZ2 LYS 15 HZ2 LYS 15 0.456 -14.653 -3.224
127 HZ3 LYS 15 HZ3 LYS 15 1.543 -14.817 -1.957
128 HA PRO 16 HA PRO 16 -3.799 -8.174 2.336
129 HB2 PRO 16 HB2 PRO 16 -5.371 -9.253 4.218
130 HB3 PRO 16 HB1 PRO 16 -6.026 -8.270 2.905
131 HG2 PRO 16 HG2 PRO 16 -5.978 -11.239 3.205
132 HG3 PRO 16 HG1 PRO 16 -7.265 -10.193 2.579
133 HD2 PRO 16 HD2 PRO 16 -5.512 -11.622 1.020
134 HD3 PRO 16 HD1 PRO 16 -6.368 -10.163 0.481
135 H GLN 17 H GLN 17 -2.062 -8.286 3.467
136 HA GLN 17 HA GLN 17 -0.475 -8.814 4.919
137 HB2 GLN 17 HB2 GLN 17 -2.185 -9.408 6.507
138 HB3 GLN 17 HB1 GLN 17 -2.360 -11.001 5.791
139 HG2 GLN 17 HG2 GLN 17 -0.139 -11.616 6.546
140 HG3 GLN 17 HG1 GLN 17 0.121 -9.999 7.184
141 HE21 GLN 17 1HE2 GLN 17 -2.921 -11.686 7.467
142 HE22 GLN 17 2HE2 GLN 17 -2.834 -11.937 9.167
143 H GLY 18 H GLY 18 1.453 -9.594 4.628
144 HA2 GLY 18 HA2 GLY 18 2.093 -12.246 4.071
145 HA3 GLY 18 HA1 GLY 18 2.092 -11.325 2.565
146 H GLY 19 H GLY 19 4.437 -12.399 3.557
147 HA2 GLY 19 HA2 GLY 19 5.838 -10.437 5.094
148 HA3 GLY 19 HA1 GLY 19 6.546 -11.831 4.287
149 H GLU 20 H GLU 20 7.061 -11.670 2.091
150 HA GLU 20 HA GLU 20 8.202 -9.150 1.395
151 HB2 GLU 20 HB2 GLU 20 9.102 -11.455 0.796
152 HB3 GLU 20 HB1 GLU 20 7.830 -11.542 -0.411
153 HG2 GLU 20 HG2 GLU 20 9.774 -10.856 -1.544
154 HG3 GLU 20 HG1 GLU 20 8.763 -9.425 -1.387
155 H GLU 21 H GLU 21 5.361 -10.941 0.542
156 HA GLU 21 HA GLU 21 4.454 -9.676 -1.768
157 HB2 GLU 21 HB2 GLU 21 3.510 -11.735 -0.732
158 HB3 GLU 21 HB1 GLU 21 2.800 -10.731 0.514
159 HG2 GLU 21 HG2 GLU 21 1.123 -11.261 -1.083
160 HG3 GLU 21 HG1 GLU 21 1.508 -9.548 -1.212
161 H GLN 22 H GLN 22 3.386 -9.054 1.587
162 HA GLN 22 HA GLN 22 2.010 -6.725 0.743
163 HB2 GLN 22 HB2 GLN 22 1.165 -8.058 2.631
164 HB3 GLN 22 HB1 GLN 22 2.594 -7.654 3.563
165 HG2 GLN 22 HG2 GLN 22 0.669 -6.318 4.260
166 HG3 GLN 22 HG1 GLN 22 1.937 -5.302 3.580
167 HE21 GLN 22 1HE2 GLN 22 0.537 -3.637 3.093
168 HE22 GLN 22 2HE2 GLN 22 -0.636 -3.714 1.846
169 H ARG 23 H ARG 23 5.241 -7.375 1.887
170 HA ARG 23 HA ARG 23 5.904 -4.771 2.604
171 HB2 ARG 23 HB2 ARG 23 7.366 -6.682 3.073
172 HB3 ARG 23 HB1 ARG 23 7.631 -6.912 1.351
173 HG2 ARG 23 HG2 ARG 23 8.635 -4.688 1.238
174 HG3 ARG 23 HG1 ARG 23 8.441 -4.540 2.988
175 HD2 ARG 23 HD2 ARG 23 9.906 -6.412 3.352
176 HD3 ARG 23 HD1 ARG 23 10.015 -6.712 1.617
177 HE ARG 23 HE ARG 23 10.995 -4.262 2.892
178 HH11 ARG 23 HH11 ARG 23 11.475 -6.964 0.606
179 HH12 ARG 23 HH12 ARG 23 12.979 -6.404 0.049
180 HH21 ARG 23 HH21 ARG 23 13.082 -3.501 2.099
181 HH22 ARG 23 HH22 ARG 23 13.901 -4.368 0.891
182 H ARG 24 H ARG 24 5.639 -6.359 -0.549
183 HA ARG 24 HA ARG 24 6.767 -4.262 -2.083
184 HB2 ARG 24 HB2 ARG 24 4.495 -6.088 -2.915
185 HB3 ARG 24 HB1 ARG 24 5.470 -5.108 -3.991
186 HG2 ARG 24 HG2 ARG 24 7.445 -6.473 -3.252
187 HG3 ARG 24 HG1 ARG 24 6.294 -7.546 -2.448
188 HD2 ARG 24 HD2 ARG 24 6.392 -6.855 -5.370
189 HD3 ARG 24 HD1 ARG 24 6.824 -8.405 -4.652
190 HE ARG 24 HE ARG 24 4.370 -8.377 -3.911
191 HH11 ARG 24 HH11 ARG 24 5.540 -7.042 -6.994
192 HH12 ARG 24 HH12 ARG 24 4.086 -7.360 -7.819
193 HH21 ARG 24 HH21 ARG 24 2.453 -8.789 -5.007
194 HH22 ARG 24 HH22 ARG 24 2.221 -8.338 -6.644
195 H CYS 25 H CYS 25 3.445 -5.023 -1.142
196 HA CYS 25 HA CYS 25 2.303 -2.665 -2.103
197 HB2 CYS 25 HB2 CYS 25 1.442 -4.536 0.061
198 HB3 CYS 25 HB1 CYS 25 0.575 -3.031 -0.208
199 H GLN 26 H GLN 26 3.878 -3.258 0.993
200 HA GLN 26 HA GLN 26 3.218 -0.791 2.126
201 HB2 GLN 26 HB2 GLN 26 5.692 -2.469 2.592
202 HB3 GLN 26 HB1 GLN 26 5.235 -1.080 3.564
203 HG2 GLN 26 HG2 GLN 26 3.725 -3.671 3.298
204 HG3 GLN 26 HG1 GLN 26 4.622 -3.112 4.706
205 HE21 GLN 26 1HE2 GLN 26 3.758 -1.417 5.933
206 HE22 GLN 26 2HE2 GLN 26 2.092 -0.996 5.849
207 H GLN 27 H GLN 27 6.045 -1.736 0.212
208 HA GLN 27 HA GLN 27 7.204 0.831 0.234
209 HB2 GLN 27 HB2 GLN 27 7.506 -1.359 -1.813
210 HB3 GLN 27 HB1 GLN 27 8.496 0.093 -1.726
211 HG2 GLN 27 HG2 GLN 27 9.233 -0.579 0.521
212 HG3 GLN 27 HG1 GLN 27 8.292 -2.058 0.364
213 HE21 GLN 27 1HE2 GLN 27 10.096 -0.597 -2.267
214 HE22 GLN 27 2HE2 GLN 27 11.278 -1.837 -2.374
215 H GLU 28 H GLU 28 5.005 -0.671 -2.066
216 HA GLU 28 HA GLU 28 5.016 1.553 -3.807
217 HB2 GLU 28 HB2 GLU 28 2.965 -0.633 -3.477
218 HB3 GLU 28 HB1 GLU 28 2.974 0.537 -4.789
219 HG2 GLU 28 HG2 GLU 28 5.181 -1.435 -4.207
220 HG3 GLU 28 HG1 GLU 28 3.941 -1.632 -5.440
221 H CYS 29 H CYS 29 2.707 0.579 -1.307
222 HA CYS 29 HA CYS 29 0.967 2.746 -1.773
223 HB2 CYS 29 HB2 CYS 29 0.497 0.482 -0.633
224 HB3 CYS 29 HB1 CYS 29 1.175 1.228 0.810
225 H GLU 30 H GLU 30 3.442 2.162 0.784
226 HA GLU 30 HA GLU 30 2.822 4.599 2.066
227 HB2 GLU 30 HB2 GLU 30 5.234 2.836 2.436
228 HB3 GLU 30 HB1 GLU 30 4.785 4.176 3.477
229 HG2 GLU 30 HG2 GLU 30 3.316 1.584 3.071
230 HG3 GLU 30 HG1 GLU 30 4.100 2.160 4.539
231 H GLU 31 H GLU 31 5.096 3.801 -0.481
232 HA GLU 31 HA GLU 31 6.415 6.305 -0.086
233 HB2 GLU 31 HB2 GLU 31 6.713 4.123 -2.068
234 HB3 GLU 31 HB1 GLU 31 7.270 5.719 -2.544
235 HG2 GLU 31 HG2 GLU 31 9.093 4.371 -1.654
236 HG3 GLU 31 HG1 GLU 31 8.791 5.772 -0.644
237 H ARG 32 H ARG 32 3.657 5.274 -1.917
238 HA ARG 32 HA ARG 32 3.651 7.684 -3.535
239 HB2 ARG 32 HB2 ARG 32 1.410 5.713 -3.092
240 HB3 ARG 32 HB1 ARG 32 1.446 6.965 -4.327
241 HG2 ARG 32 HG2 ARG 32 3.443 5.831 -5.291
242 HG3 ARG 32 HG1 ARG 32 3.198 4.572 -4.078
243 HD2 ARG 32 HD2 ARG 32 1.261 5.353 -6.258
244 HD3 ARG 32 HD1 ARG 32 2.229 3.885 -6.200
245 HE ARG 32 HE ARG 32 0.308 4.406 -4.055
246 HH11 ARG 32 HH11 ARG 32 1.347 2.343 -6.729
247 HH12 ARG 32 HH12 ARG 32 0.022 1.310 -6.666
248 HH21 ARG 32 HH21 ARG 32 -1.512 2.918 -3.897
249 HH22 ARG 32 HH22 ARG 32 -1.663 1.632 -4.999
250 H LEU 33 H LEU 33 2.019 6.479 -0.718
251 HA LEU 33 HA LEU 33 0.375 8.843 -0.358
252 HB2 LEU 33 HB2 LEU 33 1.009 6.618 1.564
253 HB3 LEU 33 HB1 LEU 33 -0.230 7.834 1.779
254 HG LEU 33 HG LEU 33 -0.216 5.756 -0.402
255 HD11 LEU 33 HD11 LEU 33 -1.824 5.945 2.129
256 HD12 LEU 33 HD12 LEU 33 -0.499 4.821 1.828
257 HD13 LEU 33 HD13 LEU 33 -1.980 4.708 0.878
258 HD21 LEU 33 HD21 LEU 33 -2.522 6.483 -0.751
259 HD22 LEU 33 HD22 LEU 33 -1.385 7.797 -1.038
260 HD23 LEU 33 HD23 LEU 33 -2.311 7.742 0.464
261 H ARG 34 H ARG 34 3.435 7.708 0.674
262 HA ARG 34 HA ARG 34 5.131 8.477 1.869
263 HB2 ARG 34 HB2 ARG 34 4.840 10.599 0.596
264 HB3 ARG 34 HB1 ARG 34 3.735 11.172 1.832
265 HG2 ARG 34 HG2 ARG 34 5.695 10.810 3.458
266 HG3 ARG 34 HG1 ARG 34 6.694 10.749 2.002
267 HD2 ARG 34 HD2 ARG 34 6.681 12.994 2.818
268 HD3 ARG 34 HD1 ARG 34 5.732 12.934 1.330
269 HE ARG 34 HE ARG 34 4.236 12.645 3.812
270 HH11 ARG 34 HH11 ARG 34 5.287 14.896 1.293
271 HH12 ARG 34 HH12 ARG 34 4.065 16.026 1.638
272 HH21 ARG 34 HH21 ARG 34 2.629 14.110 4.235
273 HH22 ARG 34 HH22 ARG 34 2.490 15.586 3.366
274 H ASP 35 H ASP 35 2.839 10.637 3.304
275 HA ASP 35 HA ASP 35 1.958 9.373 5.532
276 HB2 ASP 35 HB2 ASP 35 4.276 8.991 6.252
277 HB3 ASP 35 HB1 ASP 35 4.640 10.700 6.038
Start of MODEL 10
1 H PCA 1 H PGL 1 -3.735 10.984 3.760
2 HA PCA 1 HA PGL 1 -2.807 8.648 3.943
3 HB2 PCA 1 HB1 PGL 1 -3.010 7.814 6.055
4 HB3 PCA 1 HB2 PGL 1 -4.762 7.624 5.775
5 HG2 PCA 1 HG1 PGL 1 -3.379 9.654 7.364
6 HG3 PCA 1 HG2 PGL 1 -5.142 9.344 7.203
7 H LYS 2 H LYS 2 -5.299 10.183 2.809
8 HA LYS 2 HA LYS 2 -7.389 8.361 2.505
9 HB2 LYS 2 HB2 LYS 2 -6.571 10.687 0.793
10 HB3 LYS 2 HB1 LYS 2 -8.057 9.779 0.579
11 HG2 LYS 2 HG2 LYS 2 -8.760 10.400 2.830
12 HG3 LYS 2 HG1 LYS 2 -7.271 11.326 3.030
13 HD2 LYS 2 HD2 LYS 2 -7.889 12.806 1.254
14 HD3 LYS 2 HD1 LYS 2 -9.291 11.812 0.853
15 HE2 LYS 2 HE2 LYS 2 -8.845 13.300 3.428
16 HE3 LYS 2 HE1 LYS 2 -9.927 13.782 2.125
17 HZ1 LYS 2 HZ1 LYS 2 -11.198 12.689 3.828
18 HZ2 LYS 2 HZ2 LYS 2 -10.191 11.342 3.813
19 HZ3 LYS 2 HZ3 LYS 2 -11.152 11.685 2.479
20 H GLU 3 H GLU 3 -4.719 9.113 0.336
21 HA GLU 3 HA GLU 3 -5.549 7.300 -1.687
22 HB2 GLU 3 HB2 GLU 3 -4.068 9.213 -2.166
23 HB3 GLU 3 HB1 GLU 3 -2.822 8.490 -1.160
24 HG2 GLU 3 HG2 GLU 3 -2.811 6.537 -2.691
25 HG3 GLU 3 HG1 GLU 3 -3.915 7.428 -3.736
26 H THR 4 H THR 4 -3.379 7.232 0.905
27 HA THR 4 HA THR 4 -2.082 4.787 0.563
28 HB THR 4 HB THR 4 -2.881 6.000 3.180
29 HG1 THR 4 HG1 THR 4 -0.484 6.624 1.872
30 HG21 THR 4 HG21 THR 4 -1.726 3.823 3.274
31 HG22 THR 4 HG22 THR 4 -0.712 5.113 3.924
32 HG23 THR 4 HG23 THR 4 -0.415 4.489 2.301
33 H GLU 5 H GLU 5 -5.074 5.614 2.257
34 HA GLU 5 HA GLU 5 -5.660 3.066 3.202
35 HB2 GLU 5 HB2 GLU 5 -6.684 4.992 4.190
36 HB3 GLU 5 HB1 GLU 5 -7.419 5.450 2.665
37 HG2 GLU 5 HG2 GLU 5 -8.969 3.690 2.770
38 HG3 GLU 5 HG1 GLU 5 -8.081 2.888 4.063
39 H ILE 6 H ILE 6 -6.677 4.692 0.219
40 HA ILE 6 HA ILE 6 -8.367 2.621 -0.762
41 HB ILE 6 HB ILE 6 -6.651 4.485 -2.424
42 HG12 ILE 6 HG12 ILE 6 -9.478 4.970 -1.478
43 HG13 ILE 6 HG11 ILE 6 -8.049 5.695 -0.742
44 HG21 ILE 6 HG21 ILE 6 -9.244 3.067 -3.037
45 HG22 ILE 6 HG22 ILE 6 -7.655 2.652 -3.673
46 HG23 ILE 6 HG23 ILE 6 -8.406 4.189 -4.108
47 HD11 ILE 6 HD11 ILE 6 -8.969 6.070 -3.578
48 HD12 ILE 6 HD12 ILE 6 -7.502 6.736 -2.867
49 HD13 ILE 6 HD13 ILE 6 -9.080 7.256 -2.268
50 H CYS 7 H CYS 7 -5.060 3.481 -1.399
51 HA CYS 7 HA CYS 7 -4.277 1.495 -3.090
52 HB2 CYS 7 HB2 CYS 7 -2.914 3.395 -2.810
53 HB3 CYS 7 HB1 CYS 7 -2.819 3.170 -1.078
54 H ARG 8 H ARG 8 -4.135 1.387 0.490
55 HA ARG 8 HA ARG 8 -3.130 -1.280 0.329
56 HB2 ARG 8 HB2 ARG 8 -2.514 0.257 2.208
57 HB3 ARG 8 HB1 ARG 8 -4.160 0.166 2.798
58 HG2 ARG 8 HG2 ARG 8 -2.513 -2.324 2.476
59 HG3 ARG 8 HG1 ARG 8 -2.333 -1.309 3.900
60 HD2 ARG 8 HD2 ARG 8 -4.583 -1.694 4.555
61 HD3 ARG 8 HD1 ARG 8 -4.989 -2.379 2.986
62 HE ARG 8 HE ARG 8 -3.817 -4.332 3.530
63 HH11 ARG 8 HH11 ARG 8 -3.960 -2.078 6.256
64 HH12 ARG 8 HH12 ARG 8 -3.723 -3.245 7.452
65 HH21 ARG 8 HH21 ARG 8 -3.488 -5.950 5.157
66 HH22 ARG 8 HH22 ARG 8 -3.390 -5.526 6.807
67 H GLN 9 H GLN 9 -6.289 0.162 0.613
68 HA GLN 9 HA GLN 9 -7.770 -2.082 1.427
69 HB2 GLN 9 HB2 GLN 9 -8.770 0.139 1.367
70 HB3 GLN 9 HB1 GLN 9 -8.548 0.226 -0.370
71 HG2 GLN 9 HG2 GLN 9 -10.864 -0.195 0.170
72 HG3 GLN 9 HG1 GLN 9 -10.176 -1.585 -0.663
73 HE21 GLN 9 1HE2 GLN 9 -9.895 -3.492 0.473
74 HE22 GLN 9 2HE2 GLN 9 -10.671 -3.777 1.995
75 H TRP 10 H TRP 10 -6.807 -0.952 -1.759
76 HA TRP 10 HA TRP 10 -7.979 -2.861 -3.399
77 HB2 TRP 10 HB2 TRP 10 -6.810 -0.835 -4.182
78 HB3 TRP 10 HB1 TRP 10 -5.281 -1.512 -3.651
79 HD1 TRP 10 HD TRP 10 -7.880 -1.794 -6.433
80 HE1 TRP 10 HE1 TRP 10 -6.814 -3.085 -8.407
81 HE3 TRP 10 3HE TRP 10 -3.558 -3.262 -4.208
82 HZ2 TRP 10 HZ2 TRP 10 -4.465 -4.523 -8.934
83 HZ3 TRP 10 HZ3 TRP 10 -1.933 -4.597 -5.506
84 HH2 TRP 10 HH TRP 10 -2.390 -5.214 -7.820
85 H CYS 11 H CYS 11 -4.906 -2.954 -1.701
86 HA CYS 11 HA CYS 11 -4.146 -5.521 -2.579
87 HB2 CYS 11 HB2 CYS 11 -3.258 -3.922 -0.191
88 HB3 CYS 11 HB1 CYS 11 -2.457 -5.375 -0.792
89 H GLN 12 H GLN 12 -5.910 -4.398 0.282
90 HA GLN 12 HA GLN 12 -6.030 -6.842 1.590
91 HB2 GLN 12 HB2 GLN 12 -7.765 -4.426 1.684
92 HB3 GLN 12 HB1 GLN 12 -8.319 -5.892 2.480
93 HG2 GLN 12 HG2 GLN 12 -5.762 -4.424 3.008
94 HG3 GLN 12 HG1 GLN 12 -7.202 -4.428 4.029
95 HE21 GLN 12 1HE2 GLN 12 -7.725 -6.316 5.152
96 HE22 GLN 12 2HE2 GLN 12 -6.579 -7.553 5.464
97 H VAL 13 H VAL 13 -7.841 -5.550 -1.067
98 HA VAL 13 HA VAL 13 -9.904 -7.536 -1.098
99 HB VAL 13 HB VAL 13 -8.942 -5.668 -3.299
100 HG11 VAL 13 HG11 VAL 13 -10.142 -7.563 -4.238
101 HG12 VAL 13 HG12 VAL 13 -11.100 -6.087 -4.375
102 HG13 VAL 13 3HG1 VAL 13 -11.483 -7.276 -3.128
103 HG21 VAL 13 HG21 VAL 13 -9.786 -4.458 -1.384
104 HG22 VAL 13 HG22 VAL 13 -11.254 -5.433 -1.389
105 HG23 VAL 13 HG23 VAL 13 -10.921 -4.336 -2.730
106 H MET 14 H MET 14 -6.811 -7.084 -2.621
107 HA MET 14 HA MET 14 -6.944 -9.279 -4.415
108 HB2 MET 14 HB2 MET 14 -5.414 -7.373 -4.713
109 HB3 MET 14 HB1 MET 14 -4.550 -7.851 -3.269
110 HG2 MET 14 HG2 MET 14 -3.804 -9.883 -4.321
111 HG3 MET 14 HG1 MET 14 -4.766 -9.527 -5.757
112 HE1 MET 14 HE1 MET 14 -1.058 -9.015 -6.979
113 HE2 MET 14 HE2 MET 14 -2.573 -9.872 -7.261
114 HE3 MET 14 3HE MET 14 -1.630 -10.205 -5.808
115 H LYS 15 H LYS 15 -5.217 -8.875 -1.322
116 HA LYS 15 HA LYS 15 -5.755 -11.589 -0.621
117 HB2 LYS 15 HB2 LYS 15 -3.733 -11.793 -2.067
118 HB3 LYS 15 HB1 LYS 15 -2.877 -10.703 -0.986
119 HG2 LYS 15 HG2 LYS 15 -3.149 -12.323 0.847
120 HG3 LYS 15 HG1 LYS 15 -3.979 -13.418 -0.256
121 HD2 LYS 15 HD2 LYS 15 -1.129 -12.449 -0.547
122 HD3 LYS 15 HD1 LYS 15 -1.613 -14.034 0.045
123 HE2 LYS 15 HE2 LYS 15 -2.674 -14.498 -2.131
124 HE3 LYS 15 HE1 LYS 15 -2.156 -12.918 -2.706
125 HZ1 LYS 15 HZ1 LYS 15 -0.379 -15.159 -1.911
126 HZ2 LYS 15 HZ2 LYS 15 0.150 -13.609 -2.326
127 HZ3 LYS 15 HZ3 LYS 15 -0.620 -14.562 -3.471
128 HA PRO 16 HA PRO 16 -5.995 -8.758 2.924
129 HB2 PRO 16 HB2 PRO 16 -6.932 -11.278 4.175
130 HB3 PRO 16 HB1 PRO 16 -7.680 -9.679 4.174
131 HG2 PRO 16 HG2 PRO 16 -8.669 -11.665 2.692
132 HG3 PRO 16 HG1 PRO 16 -8.664 -9.991 2.114
133 HD2 PRO 16 HD2 PRO 16 -6.897 -12.263 1.344
134 HD3 PRO 16 HD1 PRO 16 -7.536 -10.932 0.356
135 H GLN 17 H GLN 17 -4.201 -8.369 3.924
136 HA GLN 17 HA GLN 17 -2.172 -8.542 4.914
137 HB2 GLN 17 HB2 GLN 17 -3.519 -10.881 6.280
138 HB3 GLN 17 HB1 GLN 17 -1.990 -10.182 6.794
139 HG2 GLN 17 HG2 GLN 17 -3.090 -8.060 7.222
140 HG3 GLN 17 HG1 GLN 17 -4.622 -8.732 6.680
141 HE21 GLN 17 1HE2 GLN 17 -5.682 -10.177 7.991
142 HE22 GLN 17 2HE2 GLN 17 -5.278 -10.413 9.651
143 H GLY 18 H GLY 18 -1.990 -9.357 2.490
144 HA2 GLY 18 HA2 GLY 18 -1.027 -11.994 2.095
145 HA3 GLY 18 HA1 GLY 18 -0.822 -10.636 1.000
146 H GLY 19 H GLY 19 1.176 -12.488 1.366
147 HA2 GLY 19 HA2 GLY 19 3.040 -11.494 3.285
148 HA3 GLY 19 HA1 GLY 19 3.343 -12.744 2.077
149 H GLU 20 H GLU 20 4.155 -12.166 0.072
150 HA GLU 20 HA GLU 20 5.657 -9.773 0.119
151 HB2 GLU 20 HB2 GLU 20 5.274 -11.747 -2.124
152 HB3 GLU 20 HB1 GLU 20 6.404 -10.399 -2.158
153 HG2 GLU 20 HG2 GLU 20 6.457 -12.776 -0.323
154 HG3 GLU 20 HG1 GLU 20 7.609 -12.371 -1.593
155 H GLU 21 H GLU 21 2.604 -10.625 -1.221
156 HA GLU 21 HA GLU 21 2.250 -8.570 -3.073
157 HB2 GLU 21 HB2 GLU 21 0.261 -9.943 -1.275
158 HB3 GLU 21 HB1 GLU 21 -0.222 -8.736 -2.445
159 HG2 GLU 21 HG2 GLU 21 -0.619 -10.931 -3.314
160 HG3 GLU 21 HG1 GLU 21 0.666 -10.161 -4.237
161 H GLN 22 H GLN 22 1.332 -8.616 0.372
162 HA GLN 22 HA GLN 22 0.443 -5.927 0.317
163 HB2 GLN 22 HB2 GLN 22 -0.394 -7.610 1.952
164 HB3 GLN 22 HB1 GLN 22 1.176 -7.598 2.735
165 HG2 GLN 22 HG2 GLN 22 -0.441 -6.265 3.977
166 HG3 GLN 22 HG1 GLN 22 0.864 -5.257 3.356
167 HE21 GLN 22 1HE2 GLN 22 0.427 -3.794 1.753
168 HE22 GLN 22 2HE2 GLN 22 -1.179 -3.296 1.330
169 H ARG 23 H ARG 23 3.466 -7.465 0.984
170 HA ARG 23 HA ARG 23 4.879 -5.270 2.046
171 HB2 ARG 23 HB2 ARG 23 5.768 -7.683 0.478
172 HB3 ARG 23 HB1 ARG 23 6.899 -6.470 1.049
173 HG2 ARG 23 HG2 ARG 23 5.058 -8.043 2.836
174 HG3 ARG 23 HG1 ARG 23 6.736 -8.475 2.508
175 HD2 ARG 23 HD2 ARG 23 5.743 -5.934 3.802
176 HD3 ARG 23 HD1 ARG 23 6.601 -7.255 4.596
177 HE ARG 23 HE ARG 23 8.318 -6.568 2.680
178 HH11 ARG 23 HH11 ARG 23 6.622 -4.575 5.058
179 HH12 ARG 23 HH12 ARG 23 7.786 -3.353 5.114
180 HH21 ARG 23 HH21 ARG 23 9.953 -4.928 2.744
181 HH22 ARG 23 HH22 ARG 23 9.767 -3.563 3.766
182 H ARG 24 H ARG 24 4.769 -6.519 -1.304
183 HA ARG 24 HA ARG 24 6.205 -4.420 -2.461
184 HB2 ARG 24 HB2 ARG 24 5.820 -6.577 -3.586
185 HB3 ARG 24 HB1 ARG 24 4.110 -6.212 -3.717
186 HG2 ARG 24 HG2 ARG 24 5.355 -5.887 -5.836
187 HG3 ARG 24 HG1 ARG 24 4.557 -4.422 -5.270
188 HD2 ARG 24 HD2 ARG 24 6.872 -4.046 -6.113
189 HD3 ARG 24 HD1 ARG 24 6.628 -3.532 -4.447
190 HE ARG 24 HE ARG 24 7.642 -6.205 -4.736
191 HH11 ARG 24 HH11 ARG 24 8.567 -2.782 -4.517
192 HH12 ARG 24 HH12 ARG 24 10.094 -3.073 -3.854
193 HH21 ARG 24 HH21 ARG 24 9.741 -6.630 -3.832
194 HH22 ARG 24 HH22 ARG 24 10.799 -5.324 -3.471
195 H CYS 25 H CYS 25 2.755 -4.904 -1.992
196 HA CYS 25 HA CYS 25 1.659 -2.666 -3.086
197 HB2 CYS 25 HB2 CYS 25 1.066 -4.149 -0.570
198 HB3 CYS 25 HB1 CYS 25 0.155 -2.712 -0.992
199 H GLN 26 H GLN 26 2.956 -2.890 0.265
200 HA GLN 26 HA GLN 26 2.528 -0.138 0.682
201 HB2 GLN 26 HB2 GLN 26 4.233 -2.069 2.248
202 HB3 GLN 26 HB1 GLN 26 3.928 -0.407 2.735
203 HG2 GLN 26 HG2 GLN 26 1.477 -0.951 2.697
204 HG3 GLN 26 HG1 GLN 26 1.932 -2.638 2.472
205 HE21 GLN 26 1HE2 GLN 26 2.882 -3.768 4.210
206 HE22 GLN 26 2HE2 GLN 26 2.863 -3.119 5.798
207 H GLN 27 H GLN 27 5.282 -1.926 -0.496
208 HA GLN 27 HA GLN 27 7.213 0.074 -0.309
209 HB2 GLN 27 HB2 GLN 27 6.892 -2.059 -2.421
210 HB3 GLN 27 HB1 GLN 27 8.304 -1.028 -2.273
211 HG2 GLN 27 HG2 GLN 27 7.318 -3.004 -0.231
212 HG3 GLN 27 HG1 GLN 27 8.707 -3.205 -1.296
213 HE21 GLN 27 1HE2 GLN 27 10.541 -1.917 -0.940
214 HE22 GLN 27 2HE2 GLN 27 10.854 -1.210 0.599
215 H GLU 28 H GLU 28 5.003 -0.604 -3.025
216 HA GLU 28 HA GLU 28 5.883 1.772 -4.376
217 HB2 GLU 28 HB2 GLU 28 4.176 1.214 -6.073
218 HB3 GLU 28 HB1 GLU 28 5.230 -0.140 -5.715
219 HG2 GLU 28 HG2 GLU 28 3.482 -1.102 -4.288
220 HG3 GLU 28 HG1 GLU 28 2.427 0.249 -4.699
221 H CYS 29 H CYS 29 3.299 0.913 -2.266
222 HA CYS 29 HA CYS 29 1.470 2.986 -2.721
223 HB2 CYS 29 HB2 CYS 29 1.396 0.818 -1.227
224 HB3 CYS 29 HB1 CYS 29 2.007 1.897 0.015
225 H GLU 30 H GLU 30 4.129 2.684 -0.351
226 HA GLU 30 HA GLU 30 3.863 5.344 0.590
227 HB2 GLU 30 HB2 GLU 30 6.027 3.281 0.897
228 HB3 GLU 30 HB1 GLU 30 6.040 4.837 1.714
229 HG2 GLU 30 HG2 GLU 30 3.961 2.685 2.027
230 HG3 GLU 30 HG1 GLU 30 5.264 3.047 3.159
231 H GLU 31 H GLU 31 5.636 3.747 -1.917
232 HA GLU 31 HA GLU 31 7.655 5.622 -2.414
233 HB2 GLU 31 HB2 GLU 31 7.495 3.330 -3.405
234 HB3 GLU 31 HB1 GLU 31 6.199 3.918 -4.429
235 HG2 GLU 31 HG2 GLU 31 8.330 3.812 -5.604
236 HG3 GLU 31 HG1 GLU 31 7.699 5.457 -5.510
237 H ARG 32 H ARG 32 4.402 5.306 -3.743
238 HA ARG 32 HA ARG 32 4.561 7.682 -5.321
239 HB2 ARG 32 HB2 ARG 32 3.066 5.824 -5.882
240 HB3 ARG 32 HB1 ARG 32 2.162 6.094 -4.402
241 HG2 ARG 32 HG2 ARG 32 1.496 8.301 -5.219
242 HG3 ARG 32 HG1 ARG 32 2.386 8.010 -6.714
243 HD2 ARG 32 HD2 ARG 32 0.020 7.556 -7.020
244 HD3 ARG 32 HD1 ARG 32 0.961 6.071 -7.173
245 HE ARG 32 HE ARG 32 0.007 6.529 -4.532
246 HH11 ARG 32 HH11 ARG 32 -1.074 5.397 -7.684
247 HH12 ARG 32 HH12 ARG 32 -2.201 4.277 -7.069
248 HH21 ARG 32 HH21 ARG 32 -1.544 5.003 -3.674
249 HH22 ARG 32 HH22 ARG 32 -2.531 4.104 -4.737
250 H LEU 33 H LEU 33 3.481 6.900 -2.109
251 HA LEU 33 HA LEU 33 2.043 9.277 -1.561
252 HB2 LEU 33 HB2 LEU 33 1.806 7.195 -0.269
253 HB3 LEU 33 HB1 LEU 33 3.447 7.380 0.310
254 HG LEU 33 HG LEU 33 2.763 9.449 1.490
255 HD11 LEU 33 HD11 LEU 33 0.394 9.902 1.807
256 HD12 LEU 33 HD12 LEU 33 0.001 8.658 0.617
257 HD13 LEU 33 HD13 LEU 33 0.893 10.101 0.130
258 HD21 LEU 33 HD21 LEU 33 2.858 7.362 2.691
259 HD22 LEU 33 HD22 LEU 33 1.242 6.939 2.145
260 HD23 LEU 33 HD23 LEU 33 1.468 8.296 3.248
261 H ARG 34 H ARG 34 5.346 8.260 -0.822
262 HA ARG 34 HA ARG 34 6.106 10.823 0.234
263 HB2 ARG 34 HB2 ARG 34 7.063 8.730 1.078
264 HB3 ARG 34 HB1 ARG 34 7.683 8.357 -0.516
265 HG2 ARG 34 HG2 ARG 34 9.132 10.356 -0.364
266 HG3 ARG 34 HG1 ARG 34 8.546 10.593 1.288
267 HD2 ARG 34 HD2 ARG 34 9.390 8.439 1.947
268 HD3 ARG 34 HD1 ARG 34 9.873 8.086 0.292
269 HE ARG 34 HE ARG 34 11.085 10.085 2.055
270 HH11 ARG 34 HH11 ARG 34 11.250 8.057 -0.856
271 HH12 ARG 34 HH12 ARG 34 12.925 8.246 -1.058
272 HH21 ARG 34 HH21 ARG 34 13.409 10.329 1.747
273 HH22 ARG 34 HH22 ARG 34 14.170 9.544 0.420
274 H ASP 35 H ASP 35 6.239 12.439 -1.185
275 HA ASP 35 HA ASP 35 6.940 11.828 -3.941
276 HB2 ASP 35 HB2 ASP 35 4.885 13.173 -3.397
277 HB3 ASP 35 HB1 ASP 35 5.953 14.448 -2.816
Start of MODEL 11
1 H PCA 1 H PGL 1 -5.896 10.487 6.098
2 HA PCA 1 HA PGL 1 -4.469 8.506 5.526
3 HB2 PCA 1 HB1 PGL 1 -4.271 7.145 7.353
4 HB3 PCA 1 HB2 PGL 1 -5.892 6.501 6.972
5 HG2 PCA 1 HG1 PGL 1 -5.107 8.385 9.087
6 HG3 PCA 1 HG2 PGL 1 -6.674 7.544 8.839
7 H LYS 2 H LYS 2 -7.095 9.669 4.581
8 HA LYS 2 HA LYS 2 -8.808 7.583 3.882
9 HB2 LYS 2 HB2 LYS 2 -9.440 9.964 3.975
10 HB3 LYS 2 HB1 LYS 2 -8.415 10.278 2.584
11 HG2 LYS 2 HG2 LYS 2 -10.703 10.159 1.912
12 HG3 LYS 2 HG1 LYS 2 -9.791 8.788 1.250
13 HD2 LYS 2 HD2 LYS 2 -10.661 7.342 3.009
14 HD3 LYS 2 HD1 LYS 2 -11.555 8.694 3.712
15 HE2 LYS 2 HE2 LYS 2 -12.861 8.843 1.626
16 HE3 LYS 2 HE1 LYS 2 -11.965 7.462 0.992
17 HZ1 LYS 2 HZ1 LYS 2 -13.733 7.462 3.376
18 HZ2 LYS 2 HZ2 LYS 2 -12.834 6.140 2.855
19 HZ3 LYS 2 HZ3 LYS 2 -14.069 6.740 1.888
20 H GLU 3 H GLU 3 -6.190 9.203 2.164
21 HA GLU 3 HA GLU 3 -6.560 7.728 -0.233
22 HB2 GLU 3 HB2 GLU 3 -4.149 9.276 0.707
23 HB3 GLU 3 HB1 GLU 3 -4.382 8.660 -0.916
24 HG2 GLU 3 HG2 GLU 3 -6.399 10.084 -1.117
25 HG3 GLU 3 HG1 GLU 3 -6.027 10.769 0.465
26 H THR 4 H THR 4 -4.761 7.352 2.592
27 HA THR 4 HA THR 4 -2.993 5.287 1.902
28 HB THR 4 HB THR 4 -4.324 5.643 4.554
29 HG1 THR 4 HG1 THR 4 -2.172 7.057 4.623
30 HG21 THR 4 HG21 THR 4 -2.794 3.739 4.327
31 HG22 THR 4 HG22 THR 4 -2.124 4.949 5.418
32 HG23 THR 4 HG23 THR 4 -1.519 4.820 3.766
33 H GLU 5 H GLU 5 -6.235 5.262 3.394
34 HA GLU 5 HA GLU 5 -6.497 2.517 3.706
35 HB2 GLU 5 HB2 GLU 5 -7.877 4.346 4.742
36 HB3 GLU 5 HB1 GLU 5 -8.710 4.491 3.204
37 HG2 GLU 5 HG2 GLU 5 -10.046 3.172 4.650
38 HG3 GLU 5 HG1 GLU 5 -9.367 2.115 3.408
39 H ILE 6 H ILE 6 -7.658 4.656 1.099
40 HA ILE 6 HA ILE 6 -8.891 2.783 -0.587
41 HB ILE 6 HB ILE 6 -7.261 5.202 -1.412
42 HG12 ILE 6 HG12 ILE 6 -10.245 5.000 -1.013
43 HG13 ILE 6 HG11 ILE 6 -9.133 5.635 0.199
44 HG21 ILE 6 HG21 ILE 6 -7.669 3.691 -3.309
45 HG22 ILE 6 HG22 ILE 6 -8.583 5.187 -3.484
46 HG23 ILE 6 HG23 ILE 6 -9.396 3.715 -2.963
47 HD11 ILE 6 HD11 ILE 6 -10.159 7.440 -1.035
48 HD12 ILE 6 HD12 ILE 6 -9.574 6.734 -2.552
49 HD13 ILE 6 HD13 ILE 6 -8.422 7.335 -1.361
50 H CYS 7 H CYS 7 -5.630 4.032 -0.692
51 HA CYS 7 HA CYS 7 -4.462 2.506 -2.671
52 HB2 CYS 7 HB2 CYS 7 -3.339 4.398 -1.669
53 HB3 CYS 7 HB1 CYS 7 -3.302 3.603 -0.105
54 H ARG 8 H ARG 8 -4.676 1.778 0.796
55 HA ARG 8 HA ARG 8 -3.408 -0.714 0.593
56 HB2 ARG 8 HB2 ARG 8 -3.422 0.451 2.699
57 HB3 ARG 8 HB1 ARG 8 -5.174 0.446 2.750
58 HG2 ARG 8 HG2 ARG 8 -4.256 -1.196 4.293
59 HG3 ARG 8 HG1 ARG 8 -5.158 -1.993 3.008
60 HD2 ARG 8 HD2 ARG 8 -3.056 -2.487 1.852
61 HD3 ARG 8 HD1 ARG 8 -2.165 -1.712 3.165
62 HE ARG 8 HE ARG 8 -3.930 -3.849 3.967
63 HH11 ARG 8 HH11 ARG 8 -0.689 -3.110 2.825
64 HH12 ARG 8 HH12 ARG 8 0.064 -4.370 3.700
65 HH21 ARG 8 HH21 ARG 8 -2.969 -5.602 5.084
66 HH22 ARG 8 HH22 ARG 8 -1.293 -5.867 5.039
67 H GLN 9 H GLN 9 -6.800 0.240 0.338
68 HA GLN 9 HA GLN 9 -8.006 -2.286 0.631
69 HB2 GLN 9 HB2 GLN 9 -8.882 0.048 -1.060
70 HB3 GLN 9 HB1 GLN 9 -9.869 -1.382 -0.804
71 HG2 GLN 9 HG2 GLN 9 -9.909 -0.894 1.590
72 HG3 GLN 9 HG1 GLN 9 -8.923 0.539 1.304
73 HE21 GLN 9 1HE2 GLN 9 -12.030 -0.893 0.961
74 HE22 GLN 9 2HE2 GLN 9 -12.881 0.542 0.518
75 H TRP 10 H TRP 10 -6.567 -0.763 -2.134
76 HA TRP 10 HA TRP 10 -7.327 -2.520 -4.158
77 HB2 TRP 10 HB2 TRP 10 -6.070 -0.267 -4.264
78 HB3 TRP 10 HB1 TRP 10 -4.619 -1.207 -3.956
79 HD1 TRP 10 HD TRP 10 -7.210 -0.471 -6.600
80 HE1 TRP 10 HE1 TRP 10 -6.385 -1.346 -8.871
81 HE3 TRP 10 3HE TRP 10 -3.079 -3.021 -5.025
82 HZ2 TRP 10 HZ2 TRP 10 -4.255 -2.914 -9.866
83 HZ3 TRP 10 HZ3 TRP 10 -1.701 -4.181 -6.700
84 HH2 TRP 10 HH TRP 10 -2.274 -4.127 -9.062
85 H CYS 11 H CYS 11 -4.438 -2.532 -2.094
86 HA CYS 11 HA CYS 11 -3.715 -5.128 -3.033
87 HB2 CYS 11 HB2 CYS 11 -2.404 -3.163 -1.242
88 HB3 CYS 11 HB1 CYS 11 -1.898 -4.850 -1.173
89 H GLN 12 H GLN 12 -5.683 -4.013 -0.565
90 HA GLN 12 HA GLN 12 -5.397 -6.103 1.316
91 HB2 GLN 12 HB2 GLN 12 -6.638 -3.952 1.718
92 HB3 GLN 12 HB1 GLN 12 -7.891 -4.516 0.623
93 HG2 GLN 12 HG2 GLN 12 -8.229 -6.458 2.149
94 HG3 GLN 12 HG1 GLN 12 -7.127 -5.689 3.282
95 HE21 GLN 12 1HE2 GLN 12 -8.155 -2.966 2.640
96 HE22 GLN 12 2HE2 GLN 12 -9.703 -2.880 3.366
97 H VAL 13 H VAL 13 -7.190 -5.652 -1.641
98 HA VAL 13 HA VAL 13 -8.512 -8.196 -1.531
99 HB VAL 13 HB VAL 13 -8.117 -6.334 -3.900
100 HG11 VAL 13 HG11 VAL 13 -10.050 -7.486 -4.883
101 HG12 VAL 13 HG12 VAL 13 -10.084 -8.586 -3.504
102 HG13 VAL 13 3HG1 VAL 13 -8.703 -8.590 -4.599
103 HG21 VAL 13 HG21 VAL 13 -10.444 -6.540 -1.990
104 HG22 VAL 13 HG22 VAL 13 -10.394 -5.535 -3.438
105 HG23 VAL 13 HG23 VAL 13 -9.300 -5.203 -2.094
106 H MET 14 H MET 14 -5.659 -6.827 -3.072
107 HA MET 14 HA MET 14 -5.081 -9.084 -4.684
108 HB2 MET 14 HB2 MET 14 -3.226 -6.883 -3.780
109 HB3 MET 14 HB1 MET 14 -2.822 -8.107 -4.962
110 HG2 MET 14 HG2 MET 14 -5.076 -6.141 -5.254
111 HG3 MET 14 HG1 MET 14 -3.482 -5.970 -5.983
112 HE1 MET 14 HE1 MET 14 -5.876 -6.828 -9.002
113 HE2 MET 14 HE2 MET 14 -4.748 -5.645 -8.339
114 HE3 MET 14 3HE MET 14 -6.310 -5.907 -7.561
115 H LYS 15 H LYS 15 -3.538 -8.056 -1.582
116 HA LYS 15 HA LYS 15 -2.761 -10.845 -1.202
117 HB2 LYS 15 HB2 LYS 15 -0.844 -8.517 -0.891
118 HB3 LYS 15 HB1 LYS 15 -0.501 -10.179 -0.454
119 HG2 LYS 15 HG2 LYS 15 -1.033 -9.168 -3.247
120 HG3 LYS 15 HG1 LYS 15 0.546 -9.540 -2.555
121 HD2 LYS 15 HD2 LYS 15 -0.016 -11.872 -2.374
122 HD3 LYS 15 HD1 LYS 15 -1.686 -11.554 -2.849
123 HE2 LYS 15 HE2 LYS 15 -0.479 -12.453 -4.736
124 HE3 LYS 15 HE1 LYS 15 -0.880 -10.766 -5.038
125 HZ1 LYS 15 HZ1 LYS 15 1.318 -11.183 -5.729
126 HZ2 LYS 15 HZ2 LYS 15 1.741 -11.887 -4.271
127 HZ3 LYS 15 HZ3 LYS 15 1.425 -10.211 -4.347
128 HA PRO 16 HA PRO 16 -4.253 -9.227 2.771
129 HB2 PRO 16 HB2 PRO 16 -6.012 -11.429 3.035
130 HB3 PRO 16 HB1 PRO 16 -6.458 -9.779 2.603
131 HG2 PRO 16 HG2 PRO 16 -6.648 -12.014 0.924
132 HG3 PRO 16 HG1 PRO 16 -6.708 -10.323 0.409
133 HD2 PRO 16 HD2 PRO 16 -4.427 -12.247 0.344
134 HD3 PRO 16 HD1 PRO 16 -4.853 -10.945 -0.792
135 H GLN 17 H GLN 17 -2.892 -9.712 4.319
136 HA GLN 17 HA GLN 17 -1.548 -10.715 5.784
137 HB2 GLN 17 HB2 GLN 17 -3.257 -13.169 5.304
138 HB3 GLN 17 HB1 GLN 17 -2.010 -13.068 6.524
139 HG2 GLN 17 HG2 GLN 17 -4.012 -12.752 7.683
140 HG3 GLN 17 HG1 GLN 17 -3.355 -11.133 7.501
141 HE21 GLN 17 1HE2 GLN 17 -4.474 -9.635 6.237
142 HE22 GLN 17 2HE2 GLN 17 -6.065 -9.955 5.651
143 H GLY 18 H GLY 18 0.321 -10.515 4.704
144 HA2 GLY 18 HA2 GLY 18 1.405 -13.014 3.700
145 HA3 GLY 18 HA1 GLY 18 1.341 -11.674 2.562
146 H GLY 19 H GLY 19 3.698 -12.289 2.692
147 HA2 GLY 19 HA2 GLY 19 4.965 -10.788 4.870
148 HA3 GLY 19 HA1 GLY 19 5.727 -12.131 4.023
149 H GLU 20 H GLU 20 6.666 -11.812 2.092
150 HA GLU 20 HA GLU 20 7.719 -9.273 1.533
151 HB2 GLU 20 HB2 GLU 20 7.622 -11.776 -0.117
152 HB3 GLU 20 HB1 GLU 20 8.464 -10.329 -0.630
153 HG2 GLU 20 HG2 GLU 20 9.976 -11.948 0.289
154 HG3 GLU 20 HG1 GLU 20 9.925 -10.484 1.284
155 H GLU 21 H GLU 21 5.181 -11.102 0.064
156 HA GLU 21 HA GLU 21 4.668 -9.316 -2.093
157 HB2 GLU 21 HB2 GLU 21 2.804 -11.272 -0.774
158 HB3 GLU 21 HB1 GLU 21 2.537 -10.496 -2.328
159 HG2 GLU 21 HG2 GLU 21 4.431 -11.589 -3.276
160 HG3 GLU 21 HG1 GLU 21 4.883 -12.267 -1.712
161 H GLN 22 H GLN 22 3.535 -9.459 1.176
162 HA GLN 22 HA GLN 22 1.545 -7.424 0.856
163 HB2 GLN 22 HB2 GLN 22 1.410 -9.151 2.624
164 HB3 GLN 22 HB1 GLN 22 2.861 -8.492 3.358
165 HG2 GLN 22 HG2 GLN 22 1.688 -6.392 3.769
166 HG3 GLN 22 HG1 GLN 22 0.225 -7.075 3.058
167 HE21 GLN 22 1HE2 GLN 22 2.385 -7.141 5.760
168 HE22 GLN 22 2HE2 GLN 22 1.370 -8.062 6.802
169 H ARG 23 H ARG 23 4.916 -7.631 1.964
170 HA ARG 23 HA ARG 23 5.232 -4.962 2.670
171 HB2 ARG 23 HB2 ARG 23 6.861 -6.584 3.387
172 HB3 ARG 23 HB1 ARG 23 7.206 -7.054 1.726
173 HG2 ARG 23 HG2 ARG 23 8.983 -5.716 2.617
174 HG3 ARG 23 HG1 ARG 23 8.140 -4.871 1.310
175 HD2 ARG 23 HD2 ARG 23 6.806 -3.675 3.067
176 HD3 ARG 23 HD1 ARG 23 7.879 -4.375 4.278
177 HE ARG 23 HE ARG 23 9.644 -3.217 2.738
178 HH11 ARG 23 HH11 ARG 23 6.574 -1.987 3.957
179 HH12 ARG 23 HH12 ARG 23 6.954 -0.336 3.780
180 HH21 ARG 23 HH21 ARG 23 10.248 -0.921 2.557
181 HH22 ARG 23 HH22 ARG 23 9.105 0.276 2.975
182 H ARG 24 H ARG 24 5.616 -6.689 -0.364
183 HA ARG 24 HA ARG 24 6.618 -4.727 -2.037
184 HB2 ARG 24 HB2 ARG 24 6.149 -7.140 -2.590
185 HB3 ARG 24 HB1 ARG 24 4.448 -6.733 -2.687
186 HG2 ARG 24 HG2 ARG 24 4.984 -5.172 -4.539
187 HG3 ARG 24 HG1 ARG 24 6.656 -5.741 -4.475
188 HD2 ARG 24 HD2 ARG 24 4.211 -7.419 -5.036
189 HD3 ARG 24 HD1 ARG 24 5.429 -6.932 -6.209
190 HE ARG 24 HE ARG 24 6.890 -8.249 -4.392
191 HH11 ARG 24 HH11 ARG 24 3.916 -9.186 -6.101
192 HH12 ARG 24 HH12 ARG 24 4.254 -10.852 -6.061
193 HH21 ARG 24 HH21 ARG 24 7.334 -10.522 -4.318
194 HH22 ARG 24 HH22 ARG 24 6.243 -11.639 -4.995
195 H CYS 25 H CYS 25 3.241 -5.501 -1.324
196 HA CYS 25 HA CYS 25 2.157 -3.271 -2.628
197 HB2 CYS 25 HB2 CYS 25 1.123 -5.280 -0.719
198 HB3 CYS 25 HB1 CYS 25 0.190 -3.804 -0.951
199 H GLN 26 H GLN 26 3.295 -3.679 0.644
200 HA GLN 26 HA GLN 26 2.206 -1.286 1.666
201 HB2 GLN 26 HB2 GLN 26 3.022 -3.179 3.042
202 HB3 GLN 26 HB1 GLN 26 4.660 -2.802 2.541
203 HG2 GLN 26 HG2 GLN 26 4.476 -0.620 3.635
204 HG3 GLN 26 HG1 GLN 26 2.850 -1.047 4.178
205 HE21 GLN 26 1HE2 GLN 26 3.431 -0.933 6.346
206 HE22 GLN 26 2HE2 GLN 26 4.444 -2.109 7.091
207 H GLN 27 H GLN 27 5.410 -2.110 0.380
208 HA GLN 27 HA GLN 27 6.562 0.443 0.567
209 HB2 GLN 27 HB2 GLN 27 7.901 -1.572 0.217
210 HB3 GLN 27 HB1 GLN 27 7.136 -1.842 -1.338
211 HG2 GLN 27 HG2 GLN 27 8.178 0.128 -2.239
212 HG3 GLN 27 HG1 GLN 27 8.859 0.529 -0.665
213 HE21 GLN 27 1HE2 GLN 27 10.608 -0.630 0.092
214 HE22 GLN 27 2HE2 GLN 27 11.554 -1.650 -0.922
215 H GLU 28 H GLU 28 4.885 -1.179 -2.103
216 HA GLU 28 HA GLU 28 4.817 0.797 -4.028
217 HB2 GLU 28 HB2 GLU 28 2.868 -1.325 -3.218
218 HB3 GLU 28 HB1 GLU 28 2.441 -0.177 -4.472
219 HG2 GLU 28 HG2 GLU 28 4.925 -1.854 -4.580
220 HG3 GLU 28 HG1 GLU 28 3.374 -2.380 -5.241
221 H CYS 29 H CYS 29 2.651 0.321 -1.284
222 HA CYS 29 HA CYS 29 0.955 2.468 -1.968
223 HB2 CYS 29 HB2 CYS 29 0.328 0.452 -0.573
224 HB3 CYS 29 HB1 CYS 29 1.202 1.207 0.757
225 H GLU 30 H GLU 30 3.656 2.138 0.330
226 HA GLU 30 HA GLU 30 3.422 4.674 1.481
227 HB2 GLU 30 HB2 GLU 30 5.852 2.925 1.067
228 HB3 GLU 30 HB1 GLU 30 5.885 4.413 2.000
229 HG2 GLU 30 HG2 GLU 30 4.208 3.467 3.535
230 HG3 GLU 30 HG1 GLU 30 4.231 1.967 2.611
231 H GLU 31 H GLU 31 5.235 3.597 -1.331
232 HA GLU 31 HA GLU 31 6.342 6.107 -2.029
233 HB2 GLU 31 HB2 GLU 31 7.258 3.958 -2.764
234 HB3 GLU 31 HB1 GLU 31 5.797 3.628 -3.670
235 HG2 GLU 31 HG2 GLU 31 6.311 5.342 -5.248
236 HG3 GLU 31 HG1 GLU 31 7.657 5.917 -4.262
237 H ARG 32 H ARG 32 3.273 4.726 -2.468
238 HA ARG 32 HA ARG 32 2.448 6.454 -4.645
239 HB2 ARG 32 HB2 ARG 32 1.772 4.072 -4.439
240 HB3 ARG 32 HB1 ARG 32 0.920 4.479 -2.972
241 HG2 ARG 32 HG2 ARG 32 -0.754 5.584 -4.105
242 HG3 ARG 32 HG1 ARG 32 0.216 5.756 -5.580
243 HD2 ARG 32 HD2 ARG 32 -0.770 3.135 -4.426
244 HD3 ARG 32 HD1 ARG 32 -1.452 3.954 -5.839
245 HE ARG 32 HE ARG 32 0.965 3.780 -6.691
246 HH11 ARG 32 HH11 ARG 32 -0.683 1.151 -4.914
247 HH12 ARG 32 HH12 ARG 32 0.310 -0.058 -5.575
248 HH21 ARG 32 HH21 ARG 32 2.313 2.135 -7.496
249 HH22 ARG 32 HH22 ARG 32 2.142 0.505 -7.063
250 H LEU 33 H LEU 33 1.977 6.129 -1.211
251 HA LEU 33 HA LEU 33 0.031 8.205 -0.972
252 HB2 LEU 33 HB2 LEU 33 0.213 6.395 0.658
253 HB3 LEU 33 HB1 LEU 33 1.824 6.924 1.086
254 HG LEU 33 HG LEU 33 0.837 9.060 1.913
255 HD11 LEU 33 HD11 LEU 33 -1.213 9.085 0.640
256 HD12 LEU 33 HD12 LEU 33 -1.565 9.126 2.369
257 HD13 LEU 33 HD13 LEU 33 -1.769 7.628 1.463
258 HD21 LEU 33 HD21 LEU 33 -0.171 6.524 3.194
259 HD22 LEU 33 HD22 LEU 33 -0.046 8.096 3.984
260 HD23 LEU 33 HD23 LEU 33 1.412 7.260 3.445
261 H ARG 34 H ARG 34 3.504 7.977 -0.303
262 HA ARG 34 HA ARG 34 3.726 10.710 0.534
263 HB2 ARG 34 HB2 ARG 34 5.831 8.674 -0.193
264 HB3 ARG 34 HB1 ARG 34 6.182 10.264 0.475
265 HG2 ARG 34 HG2 ARG 34 5.025 9.715 2.503
266 HG3 ARG 34 HG1 ARG 34 4.497 8.181 1.824
267 HD2 ARG 34 HD2 ARG 34 6.788 7.401 1.721
268 HD3 ARG 34 HD1 ARG 34 7.370 8.959 2.323
269 HE ARG 34 HE ARG 34 6.012 8.493 4.328
270 HH11 ARG 34 HH11 ARG 34 7.444 5.799 2.505
271 HH12 ARG 34 HH12 ARG 34 7.206 4.683 3.778
272 HH21 ARG 34 HH21 ARG 34 5.793 6.976 6.020
273 HH22 ARG 34 HH22 ARG 34 6.326 5.363 5.819
274 H ASP 35 H ASP 35 4.588 8.905 -2.279
275 HA ASP 35 HA ASP 35 5.114 9.367 -4.367
276 HB2 ASP 35 HB2 ASP 35 2.838 10.291 -4.428
277 HB3 ASP 35 HB1 ASP 35 3.476 11.873 -3.986
Start of MODEL 12
1 H PCA 1 H PGL 1 -6.163 10.348 6.399
2 HA PCA 1 HA PGL 1 -4.538 8.422 6.192
3 HB2 PCA 1 HB1 PGL 1 -4.517 7.262 8.154
4 HB3 PCA 1 HB2 PGL 1 -5.974 6.413 7.563
5 HG2 PCA 1 HG1 PGL 1 -5.804 8.341 9.705
6 HG3 PCA 1 HG2 PGL 1 -7.264 7.513 9.064
7 H LYS 2 H LYS 2 -7.591 9.096 5.375
8 HA LYS 2 HA LYS 2 -8.732 6.755 4.402
9 HB2 LYS 2 HB2 LYS 2 -9.944 8.834 4.806
10 HB3 LYS 2 HB1 LYS 2 -9.070 9.607 3.497
11 HG2 LYS 2 HG2 LYS 2 -10.111 8.140 1.904
12 HG3 LYS 2 HG1 LYS 2 -10.951 7.295 3.211
13 HD2 LYS 2 HD2 LYS 2 -12.105 9.357 3.822
14 HD3 LYS 2 HD1 LYS 2 -11.251 10.225 2.548
15 HE2 LYS 2 HE2 LYS 2 -13.134 7.912 2.107
16 HE3 LYS 2 HE1 LYS 2 -13.566 9.613 1.955
17 HZ1 LYS 2 HZ1 LYS 2 -13.074 8.648 -0.180
18 HZ2 LYS 2 HZ2 LYS 2 -11.522 8.205 0.318
19 HZ3 LYS 2 HZ3 LYS 2 -11.934 9.823 0.189
20 H GLU 3 H GLU 3 -6.504 9.024 2.891
21 HA GLU 3 HA GLU 3 -6.721 8.084 0.263
22 HB2 GLU 3 HB2 GLU 3 -5.656 10.226 0.883
23 HB3 GLU 3 HB1 GLU 3 -4.338 9.341 1.625
24 HG2 GLU 3 HG2 GLU 3 -3.688 10.167 -0.520
25 HG3 GLU 3 HG1 GLU 3 -3.758 8.402 -0.521
26 H THR 4 H THR 4 -4.604 7.239 2.809
27 HA THR 4 HA THR 4 -3.230 5.246 1.285
28 HB THR 4 HB THR 4 -3.253 5.443 4.275
29 HG1 THR 4 HG1 THR 4 -2.636 7.384 2.699
30 HG21 THR 4 HG21 THR 4 -2.175 3.466 3.296
31 HG22 THR 4 HG22 THR 4 -0.980 4.524 4.055
32 HG23 THR 4 HG23 THR 4 -1.168 4.514 2.299
33 H GLU 5 H GLU 5 -6.111 5.316 3.196
34 HA GLU 5 HA GLU 5 -6.316 2.575 3.819
35 HB2 GLU 5 HB2 GLU 5 -7.608 4.279 4.995
36 HB3 GLU 5 HB1 GLU 5 -8.451 4.685 3.512
37 HG2 GLU 5 HG2 GLU 5 -9.536 2.547 3.486
38 HG3 GLU 5 HG1 GLU 5 -8.603 2.017 4.884
39 H ILE 6 H ILE 6 -7.777 4.489 1.184
40 HA ILE 6 HA ILE 6 -8.847 2.187 -0.105
41 HB ILE 6 HB ILE 6 -8.400 5.013 -1.158
42 HG12 ILE 6 HG12 ILE 6 -10.897 5.069 -1.275
43 HG13 ILE 6 HG11 ILE 6 -10.937 3.471 -0.555
44 HG21 ILE 6 HG21 ILE 6 -8.152 3.488 -3.066
45 HG22 ILE 6 HG22 ILE 6 -9.629 4.439 -3.192
46 HG23 ILE 6 HG23 ILE 6 -9.707 2.758 -2.676
47 HD11 ILE 6 HD11 ILE 6 -9.959 4.373 1.474
48 HD12 ILE 6 HD12 ILE 6 -11.448 5.228 1.043
49 HD13 ILE 6 HD13 ILE 6 -9.874 5.967 0.731
50 H CYS 7 H CYS 7 -5.858 3.892 -0.309
51 HA CYS 7 HA CYS 7 -4.691 2.612 -2.498
52 HB2 CYS 7 HB2 CYS 7 -3.693 4.577 -1.411
53 HB3 CYS 7 HB1 CYS 7 -3.415 3.632 0.043
54 H ARG 8 H ARG 8 -4.601 1.692 0.986
55 HA ARG 8 HA ARG 8 -3.277 -0.763 0.594
56 HB2 ARG 8 HB2 ARG 8 -3.480 0.150 2.863
57 HB3 ARG 8 HB1 ARG 8 -5.235 -0.027 2.795
58 HG2 ARG 8 HG2 ARG 8 -4.833 -2.500 2.386
59 HG3 ARG 8 HG1 ARG 8 -3.163 -2.201 2.836
60 HD2 ARG 8 HD2 ARG 8 -3.836 -1.535 5.048
61 HD3 ARG 8 HD1 ARG 8 -5.538 -1.618 4.585
62 HE ARG 8 HE ARG 8 -4.289 -4.078 4.071
63 HH11 ARG 8 HH11 ARG 8 -5.469 -2.159 6.791
64 HH12 ARG 8 HH12 ARG 8 -5.798 -3.492 7.797
65 HH21 ARG 8 HH21 ARG 8 -4.700 -5.953 5.485
66 HH22 ARG 8 HH22 ARG 8 -5.333 -5.699 7.033
67 H GLN 9 H GLN 9 -6.666 0.138 0.603
68 HA GLN 9 HA GLN 9 -7.975 -2.265 0.670
69 HB2 GLN 9 HB2 GLN 9 -9.117 -0.139 0.744
70 HB3 GLN 9 HB1 GLN 9 -8.631 0.213 -0.903
71 HG2 GLN 9 HG2 GLN 9 -10.043 -1.631 -1.694
72 HG3 GLN 9 HG1 GLN 9 -10.552 -1.931 -0.032
73 HE21 GLN 9 1HE2 GLN 9 -12.069 -1.105 -2.399
74 HE22 GLN 9 2HE2 GLN 9 -12.884 0.345 -1.963
75 H TRP 10 H TRP 10 -6.454 -0.739 -2.075
76 HA TRP 10 HA TRP 10 -7.343 -2.361 -4.172
77 HB2 TRP 10 HB2 TRP 10 -5.986 -0.220 -4.291
78 HB3 TRP 10 HB1 TRP 10 -4.576 -1.178 -3.867
79 HD1 TRP 10 HD TRP 10 -6.889 -0.347 -6.696
80 HE1 TRP 10 HE1 TRP 10 -5.956 -1.336 -8.890
81 HE3 TRP 10 3HE TRP 10 -3.129 -3.207 -4.771
82 HZ2 TRP 10 HZ2 TRP 10 -3.907 -3.101 -9.686
83 HZ3 TRP 10 HZ3 TRP 10 -1.730 -4.515 -6.305
84 HH2 TRP 10 HH TRP 10 -2.109 -4.465 -8.705
85 H CYS 11 H CYS 11 -4.502 -2.676 -2.101
86 HA CYS 11 HA CYS 11 -3.700 -5.199 -3.192
87 HB2 CYS 11 HB2 CYS 11 -2.754 -3.556 -0.852
88 HB3 CYS 11 HB1 CYS 11 -2.028 -5.091 -1.315
89 H GLN 12 H GLN 12 -5.511 -4.061 -0.468
90 HA GLN 12 HA GLN 12 -5.472 -6.301 1.191
91 HB2 GLN 12 HB2 GLN 12 -6.229 -3.982 1.765
92 HB3 GLN 12 HB1 GLN 12 -7.691 -4.302 0.849
93 HG2 GLN 12 HG2 GLN 12 -8.294 -6.076 2.393
94 HG3 GLN 12 HG1 GLN 12 -6.806 -5.809 3.300
95 HE21 GLN 12 1HE2 GLN 12 -8.825 -3.305 1.928
96 HE22 GLN 12 2HE2 GLN 12 -9.297 -2.604 3.431
97 H VAL 13 H VAL 13 -7.738 -5.275 -1.376
98 HA VAL 13 HA VAL 13 -9.301 -7.659 -1.126
99 HB VAL 13 HB VAL 13 -10.304 -5.498 -1.903
100 HG11 VAL 13 HG11 VAL 13 -8.791 -5.985 -4.452
101 HG12 VAL 13 HG12 VAL 13 -8.548 -4.657 -3.319
102 HG13 VAL 13 3HG1 VAL 13 -10.055 -4.777 -4.229
103 HG21 VAL 13 HG21 VAL 13 -11.487 -7.571 -2.340
104 HG22 VAL 13 HG22 VAL 13 -10.598 -7.782 -3.847
105 HG23 VAL 13 HG23 VAL 13 -11.727 -6.440 -3.672
106 H MET 14 H MET 14 -6.591 -6.641 -3.074
107 HA MET 14 HA MET 14 -6.662 -8.603 -5.086
108 HB2 MET 14 HB2 MET 14 -5.134 -6.680 -5.148
109 HB3 MET 14 HB1 MET 14 -4.279 -7.321 -3.755
110 HG2 MET 14 HG2 MET 14 -3.608 -9.278 -5.094
111 HG3 MET 14 HG1 MET 14 -4.414 -8.573 -6.493
112 HE1 MET 14 HE1 MET 14 -1.517 -8.175 -3.883
113 HE2 MET 14 HE2 MET 14 -2.358 -6.634 -3.711
114 HE3 MET 14 3HE MET 14 -0.748 -6.684 -4.414
115 H LYS 15 H LYS 15 -4.841 -8.627 -2.008
116 HA LYS 15 HA LYS 15 -5.462 -11.374 -1.639
117 HB2 LYS 15 HB2 LYS 15 -3.430 -11.480 -3.129
118 HB3 LYS 15 HB1 LYS 15 -2.532 -10.640 -1.870
119 HG2 LYS 15 HG2 LYS 15 -2.865 -12.447 -0.330
120 HG3 LYS 15 HG1 LYS 15 -3.935 -13.272 -1.456
121 HD2 LYS 15 HD2 LYS 15 -1.880 -14.391 -1.639
122 HD3 LYS 15 HD1 LYS 15 -1.941 -13.332 -3.042
123 HE2 LYS 15 HE2 LYS 15 0.250 -13.240 -2.093
124 HE3 LYS 15 HE1 LYS 15 -0.550 -11.698 -1.792
125 HZ1 LYS 15 HZ1 LYS 15 -0.463 -13.889 0.203
126 HZ2 LYS 15 HZ2 LYS 15 -0.832 -12.266 0.518
127 HZ3 LYS 15 HZ3 LYS 15 0.738 -12.745 0.069
128 HA PRO 16 HA PRO 16 -5.334 -9.164 2.300
129 HB2 PRO 16 HB2 PRO 16 -6.384 -11.249 3.757
130 HB3 PRO 16 HB1 PRO 16 -7.363 -10.072 2.881
131 HG2 PRO 16 HG2 PRO 16 -6.554 -12.831 2.076
132 HG3 PRO 16 HG1 PRO 16 -8.112 -12.011 1.866
133 HD2 PRO 16 HD2 PRO 16 -6.353 -12.286 -0.137
134 HD3 PRO 16 HD1 PRO 16 -7.382 -10.844 0.004
135 H GLN 17 H GLN 17 -3.431 -9.002 3.244
136 HA GLN 17 HA GLN 17 -1.581 -9.394 4.424
137 HB2 GLN 17 HB2 GLN 17 -2.760 -12.136 4.820
138 HB3 GLN 17 HB1 GLN 17 -1.244 -11.638 5.542
139 HG2 GLN 17 HG2 GLN 17 -3.937 -10.385 6.046
140 HG3 GLN 17 HG1 GLN 17 -3.115 -11.525 7.108
141 HE21 GLN 17 1HE2 GLN 17 -3.283 -8.271 6.013
142 HE22 GLN 17 2HE2 GLN 17 -2.141 -7.630 7.134
143 H GLY 18 H GLY 18 0.434 -10.823 4.499
144 HA2 GLY 18 HA2 GLY 18 1.202 -12.743 2.833
145 HA3 GLY 18 HA1 GLY 18 1.233 -11.319 1.794
146 H GLY 19 H GLY 19 3.543 -12.639 2.333
147 HA2 GLY 19 HA2 GLY 19 4.844 -11.228 4.503
148 HA3 GLY 19 HA1 GLY 19 5.591 -12.419 3.442
149 H GLU 20 H GLU 20 6.290 -11.814 1.422
150 HA GLU 20 HA GLU 20 7.448 -9.238 1.378
151 HB2 GLU 20 HB2 GLU 20 7.286 -11.310 -0.803
152 HB3 GLU 20 HB1 GLU 20 8.258 -9.847 -0.878
153 HG2 GLU 20 HG2 GLU 20 9.440 -10.638 1.175
154 HG3 GLU 20 HG1 GLU 20 8.579 -12.167 0.996
155 H GLU 21 H GLU 21 4.707 -10.684 -0.208
156 HA GLU 21 HA GLU 21 4.074 -8.768 -2.123
157 HB2 GLU 21 HB2 GLU 21 1.951 -10.079 -0.429
158 HB3 GLU 21 HB1 GLU 21 1.810 -9.533 -2.083
159 HG2 GLU 21 HG2 GLU 21 1.889 -11.835 -2.269
160 HG3 GLU 21 HG1 GLU 21 3.556 -11.356 -2.593
161 H GLN 22 H GLN 22 3.311 -8.824 1.305
162 HA GLN 22 HA GLN 22 1.696 -6.506 1.152
163 HB2 GLN 22 HB2 GLN 22 1.310 -8.189 2.876
164 HB3 GLN 22 HB1 GLN 22 2.895 -7.869 3.558
165 HG2 GLN 22 HG2 GLN 22 2.240 -5.690 4.242
166 HG3 GLN 22 HG1 GLN 22 0.716 -5.814 3.367
167 HE21 GLN 22 1HE2 GLN 22 1.250 -5.315 6.173
168 HE22 GLN 22 2HE2 GLN 22 0.372 -6.521 7.038
169 H ARG 23 H ARG 23 5.057 -7.119 1.987
170 HA ARG 23 HA ARG 23 5.634 -4.476 2.786
171 HB2 ARG 23 HB2 ARG 23 7.018 -6.491 3.275
172 HB3 ARG 23 HB1 ARG 23 7.469 -6.542 1.581
173 HG2 ARG 23 HG2 ARG 23 8.490 -4.347 1.798
174 HG3 ARG 23 HG1 ARG 23 8.059 -4.342 3.516
175 HD2 ARG 23 HD2 ARG 23 10.381 -5.037 3.213
176 HD3 ARG 23 HD1 ARG 23 9.407 -6.356 3.861
177 HE ARG 23 HE ARG 23 10.054 -6.123 1.001
178 HH11 ARG 23 HH11 ARG 23 9.795 -8.148 3.926
179 HH12 ARG 23 HH12 ARG 23 10.394 -9.539 3.170
180 HH21 ARG 23 HH21 ARG 23 10.834 -8.011 -0.020
181 HH22 ARG 23 HH22 ARG 23 10.983 -9.481 0.834
182 H ARG 24 H ARG 24 5.588 -6.136 -0.300
183 HA ARG 24 HA ARG 24 6.771 -4.100 -1.872
184 HB2 ARG 24 HB2 ARG 24 4.812 -6.268 -2.659
185 HB3 ARG 24 HB1 ARG 24 5.663 -5.240 -3.805
186 HG2 ARG 24 HG2 ARG 24 7.782 -6.147 -3.099
187 HG3 ARG 24 HG1 ARG 24 6.991 -7.099 -1.844
188 HD2 ARG 24 HD2 ARG 24 5.727 -8.286 -3.618
189 HD3 ARG 24 HD1 ARG 24 6.660 -7.399 -4.825
190 HE ARG 24 HE ARG 24 8.618 -8.488 -3.448
191 HH11 ARG 24 HH11 ARG 24 5.606 -10.007 -4.574
192 HH12 ARG 24 HH12 ARG 24 6.277 -11.555 -4.688
193 HH21 ARG 24 HH21 ARG 24 9.525 -10.641 -3.628
194 HH22 ARG 24 HH22 ARG 24 8.560 -11.945 -4.136
195 H CYS 25 H CYS 25 3.338 -4.952 -1.407
196 HA CYS 25 HA CYS 25 2.296 -2.708 -2.667
197 HB2 CYS 25 HB2 CYS 25 1.242 -4.660 -0.722
198 HB3 CYS 25 HB1 CYS 25 0.358 -3.147 -0.880
199 H GLN 26 H GLN 26 3.359 -3.066 0.689
200 HA GLN 26 HA GLN 26 2.440 -0.642 1.668
201 HB2 GLN 26 HB2 GLN 26 3.337 -2.334 3.140
202 HB3 GLN 26 HB1 GLN 26 4.902 -2.252 2.350
203 HG2 GLN 26 HG2 GLN 26 4.942 -1.152 4.502
204 HG3 GLN 26 HG1 GLN 26 5.234 -0.013 3.188
205 HE21 GLN 26 1HE2 GLN 26 4.633 1.742 4.325
206 HE22 GLN 26 2HE2 GLN 26 3.021 2.088 4.824
207 H GLN 27 H GLN 27 5.572 -1.423 0.174
208 HA GLN 27 HA GLN 27 6.556 1.208 0.272
209 HB2 GLN 27 HB2 GLN 27 8.049 -0.708 -0.054
210 HB3 GLN 27 HB1 GLN 27 7.316 -1.012 -1.624
211 HG2 GLN 27 HG2 GLN 27 8.092 1.141 -2.428
212 HG3 GLN 27 HG1 GLN 27 8.808 1.479 -0.858
213 HE21 GLN 27 1HE2 GLN 27 9.937 1.302 -3.482
214 HE22 GLN 27 2HE2 GLN 27 11.206 0.114 -3.415
215 H GLU 28 H GLU 28 4.951 -0.581 -2.323
216 HA GLU 28 HA GLU 28 4.979 1.378 -4.288
217 HB2 GLU 28 HB2 GLU 28 2.860 -0.676 -3.676
218 HB3 GLU 28 HB1 GLU 28 2.863 0.323 -5.120
219 HG2 GLU 28 HG2 GLU 28 5.003 -1.638 -4.338
220 HG3 GLU 28 HG1 GLU 28 3.736 -1.904 -5.536
221 H CYS 29 H CYS 29 2.604 0.831 -1.728
222 HA CYS 29 HA CYS 29 0.837 2.857 -2.451
223 HB2 CYS 29 HB2 CYS 29 0.376 1.018 -0.812
224 HB3 CYS 29 HB1 CYS 29 1.392 1.861 0.351
225 H GLU 30 H GLU 30 3.660 2.928 -0.276
226 HA GLU 30 HA GLU 30 3.296 5.622 0.482
227 HB2 GLU 30 HB2 GLU 30 5.752 3.871 0.584
228 HB3 GLU 30 HB1 GLU 30 5.706 5.507 1.223
229 HG2 GLU 30 HG2 GLU 30 3.902 4.813 2.762
230 HG3 GLU 30 HG1 GLU 30 4.051 3.167 2.151
231 H GLU 31 H GLU 31 5.149 4.126 -2.121
232 HA GLU 31 HA GLU 31 6.384 6.591 -2.859
233 HB2 GLU 31 HB2 GLU 31 6.174 4.025 -4.404
234 HB3 GLU 31 HB1 GLU 31 7.149 5.407 -4.884
235 HG2 GLU 31 HG2 GLU 31 8.390 5.167 -2.730
236 HG3 GLU 31 HG1 GLU 31 7.500 3.668 -2.462
237 H ARG 32 H ARG 32 3.468 4.984 -3.875
238 HA ARG 32 HA ARG 32 3.044 6.666 -6.154
239 HB2 ARG 32 HB2 ARG 32 1.075 5.025 -4.559
240 HB3 ARG 32 HB1 ARG 32 0.713 5.812 -6.092
241 HG2 ARG 32 HG2 ARG 32 2.414 4.464 -7.179
242 HG3 ARG 32 HG1 ARG 32 2.783 3.736 -5.608
243 HD2 ARG 32 HD2 ARG 32 0.492 2.842 -5.508
244 HD3 ARG 32 HD1 ARG 32 0.173 3.510 -7.111
245 HE ARG 32 HE ARG 32 2.316 2.048 -7.595
246 HH11 ARG 32 HH11 ARG 32 -0.703 1.195 -5.923
247 HH12 ARG 32 HH12 ARG 32 -0.496 -0.475 -6.169
248 HH21 ARG 32 HH21 ARG 32 2.523 -0.287 -7.955
249 HH22 ARG 32 HH22 ARG 32 1.302 -1.315 -7.350
250 H LEU 33 H LEU 33 1.890 6.615 -2.880
251 HA LEU 33 HA LEU 33 0.359 8.988 -2.954
252 HB2 LEU 33 HB2 LEU 33 0.199 7.396 -1.110
253 HB3 LEU 33 HB1 LEU 33 1.866 7.695 -0.677
254 HG LEU 33 HG LEU 33 1.267 10.007 -0.046
255 HD11 LEU 33 HD11 LEU 33 -1.083 10.612 0.195
256 HD12 LEU 33 HD12 LEU 33 -1.549 9.109 -0.603
257 HD13 LEU 33 HD13 LEU 33 -0.644 10.336 -1.489
258 HD21 LEU 33 HD21 LEU 33 1.329 8.248 1.638
259 HD22 LEU 33 HD22 LEU 33 -0.359 7.858 1.308
260 HD23 LEU 33 HD23 LEU 33 0.067 9.424 1.999
261 H ARG 34 H ARG 34 3.672 8.326 -1.996
262 HA ARG 34 HA ARG 34 5.451 9.511 -1.605
263 HB2 ARG 34 HB2 ARG 34 5.432 9.554 -4.046
264 HB3 ARG 34 HB1 ARG 34 4.510 11.047 -4.022
265 HG2 ARG 34 HG2 ARG 34 6.345 12.293 -3.266
266 HG3 ARG 34 HG1 ARG 34 7.229 10.846 -2.774
267 HD2 ARG 34 HD2 ARG 34 6.509 11.526 -5.626
268 HD3 ARG 34 HD1 ARG 34 8.084 11.837 -4.890
269 HE ARG 34 HE ARG 34 7.745 9.241 -4.404
270 HH11 ARG 34 HH11 ARG 34 7.384 11.020 -7.442
271 HH12 ARG 34 HH12 ARG 34 7.905 9.738 -8.425
272 HH21 ARG 34 HH21 ARG 34 8.490 7.471 -5.772
273 HH22 ARG 34 HH22 ARG 34 8.522 7.677 -7.453
274 H ASP 35 H ASP 35 4.781 10.104 0.293
275 HA ASP 35 HA ASP 35 4.424 12.965 0.701
276 HB2 ASP 35 HB2 ASP 35 2.205 12.055 1.062
277 HB3 ASP 35 HB1 ASP 35 2.853 10.757 2.058
Start of MODEL 13
1 H PCA 1 H PGL 1 -6.633 12.044 1.789
2 HA PCA 1 HA PGL 1 -4.756 10.387 1.855
3 HB2 PCA 1 HB1 PGL 1 -4.242 9.877 4.006
4 HB3 PCA 1 HB2 PGL 1 -5.631 8.753 3.999
5 HG2 PCA 1 HG1 PGL 1 -5.396 11.301 5.374
6 HG3 PCA 1 HG2 PGL 1 -6.780 10.153 5.369
7 H LYS 2 H LYS 2 -7.651 10.455 0.873
8 HA LYS 2 HA LYS 2 -8.647 7.835 1.097
9 HB2 LYS 2 HB2 LYS 2 -9.323 10.029 -0.849
10 HB3 LYS 2 HB1 LYS 2 -10.192 8.505 -0.735
11 HG2 LYS 2 HG2 LYS 2 -9.916 10.539 1.473
12 HG3 LYS 2 HG1 LYS 2 -11.351 10.276 0.480
13 HD2 LYS 2 HD2 LYS 2 -11.566 8.009 1.350
14 HD3 LYS 2 HD1 LYS 2 -10.090 8.201 2.286
15 HE2 LYS 2 HE2 LYS 2 -11.127 10.000 3.556
16 HE3 LYS 2 HE1 LYS 2 -12.618 9.778 2.640
17 HZ1 LYS 2 HZ1 LYS 2 -12.561 8.654 4.832
18 HZ2 LYS 2 HZ2 LYS 2 -11.367 7.601 4.219
19 HZ3 LYS 2 HZ3 LYS 2 -12.899 7.642 3.540
20 H GLU 3 H GLU 3 -6.424 9.237 -1.171
21 HA GLU 3 HA GLU 3 -6.570 7.072 -2.994
22 HB2 GLU 3 HB2 GLU 3 -4.450 7.904 -3.918
23 HB3 GLU 3 HB1 GLU 3 -5.598 9.209 -3.679
24 HG2 GLU 3 HG2 GLU 3 -4.433 9.797 -1.582
25 HG3 GLU 3 HG1 GLU 3 -3.256 8.534 -1.925
26 H THR 4 H THR 4 -4.943 7.602 -0.098
27 HA THR 4 HA THR 4 -3.206 5.329 -0.247
28 HB THR 4 HB THR 4 -4.041 6.906 2.173
29 HG1 THR 4 HG1 THR 4 -2.886 8.490 1.257
30 HG21 THR 4 HG21 THR 4 -1.563 5.264 1.605
31 HG22 THR 4 HG22 THR 4 -2.891 4.788 2.663
32 HG23 THR 4 HG23 THR 4 -1.873 6.163 3.093
33 H GLU 5 H GLU 5 -6.355 6.116 1.026
34 HA GLU 5 HA GLU 5 -6.844 3.818 2.551
35 HB2 GLU 5 HB2 GLU 5 -8.201 5.896 2.636
36 HB3 GLU 5 HB1 GLU 5 -8.835 5.520 1.042
37 HG2 GLU 5 HG2 GLU 5 -9.843 3.482 1.931
38 HG3 GLU 5 HG1 GLU 5 -9.219 3.879 3.530
39 H ILE 6 H ILE 6 -7.803 4.562 -0.836
40 HA ILE 6 HA ILE 6 -8.675 1.905 -1.310
41 HB ILE 6 HB ILE 6 -8.348 2.420 -3.776
42 HG12 ILE 6 HG12 ILE 6 -7.942 5.230 -2.730
43 HG13 ILE 6 HG11 ILE 6 -6.710 4.246 -3.509
44 HG21 ILE 6 HG21 ILE 6 -10.349 3.819 -3.881
45 HG22 ILE 6 HG22 ILE 6 -10.264 4.008 -2.118
46 HG23 ILE 6 HG23 ILE 6 -10.464 2.404 -2.845
47 HD11 ILE 6 HD11 ILE 6 -8.024 4.255 -5.570
48 HD12 ILE 6 HD12 ILE 6 -7.625 5.887 -5.032
49 HD13 ILE 6 HD13 ILE 6 -9.249 5.248 -4.777
50 H CYS 7 H CYS 7 -5.610 3.459 -1.644
51 HA CYS 7 HA CYS 7 -4.166 1.610 -3.063
52 HB2 CYS 7 HB2 CYS 7 -3.231 3.731 -2.395
53 HB3 CYS 7 HB1 CYS 7 -3.376 3.296 -0.701
54 H ARG 8 H ARG 8 -4.805 1.584 0.459
55 HA ARG 8 HA ARG 8 -3.532 -0.962 0.663
56 HB2 ARG 8 HB2 ARG 8 -3.418 0.486 2.595
57 HB3 ARG 8 HB1 ARG 8 -5.172 0.541 2.697
58 HG2 ARG 8 HG2 ARG 8 -4.277 -0.975 4.391
59 HG3 ARG 8 HG1 ARG 8 -5.222 -1.859 3.196
60 HD2 ARG 8 HD2 ARG 8 -3.089 -2.460 2.046
61 HD3 ARG 8 HD1 ARG 8 -2.221 -1.684 3.372
62 HE ARG 8 HE ARG 8 -4.091 -3.866 3.933
63 HH11 ARG 8 HH11 ARG 8 -0.735 -2.686 3.887
64 HH12 ARG 8 HH12 ARG 8 -0.141 -3.995 4.804
65 HH21 ARG 8 HH21 ARG 8 -3.218 -5.668 5.196
66 HH22 ARG 8 HH22 ARG 8 -1.562 -5.673 5.578
67 H GLN 9 H GLN 9 -6.910 0.148 0.572
68 HA GLN 9 HA GLN 9 -8.112 -2.302 1.177
69 HB2 GLN 9 HB2 GLN 9 -9.124 -0.103 -0.611
70 HB3 GLN 9 HB1 GLN 9 -10.082 -1.499 -0.151
71 HG2 GLN 9 HG2 GLN 9 -9.877 -0.858 2.196
72 HG3 GLN 9 HG1 GLN 9 -8.936 0.556 1.716
73 HE21 GLN 9 1HE2 GLN 9 -9.954 2.217 0.664
74 HE22 GLN 9 2HE2 GLN 9 -11.669 2.408 0.658
75 H TRP 10 H TRP 10 -7.011 -1.076 -1.926
76 HA TRP 10 HA TRP 10 -8.012 -3.061 -3.578
77 HB2 TRP 10 HB2 TRP 10 -6.779 -0.847 -4.119
78 HB3 TRP 10 HB1 TRP 10 -5.312 -1.806 -3.974
79 HD1 TRP 10 HD TRP 10 -8.223 -1.120 -6.221
80 HE1 TRP 10 HE1 TRP 10 -7.891 -2.310 -8.471
81 HE3 TRP 10 3HE TRP 10 -4.186 -4.011 -5.016
82 HZ2 TRP 10 HZ2 TRP 10 -6.147 -4.239 -9.593
83 HZ3 TRP 10 HZ3 TRP 10 -3.249 -5.504 -6.736
84 HH2 TRP 10 HH TRP 10 -4.211 -5.612 -8.972
85 H CYS 11 H CYS 11 -4.838 -2.807 -1.999
86 HA CYS 11 HA CYS 11 -3.905 -5.339 -2.776
87 HB2 CYS 11 HB2 CYS 11 -3.078 -3.486 -0.543
88 HB3 CYS 11 HB1 CYS 11 -2.239 -4.993 -0.893
89 H GLN 12 H GLN 12 -5.661 -4.257 0.084
90 HA GLN 12 HA GLN 12 -5.452 -6.567 1.628
91 HB2 GLN 12 HB2 GLN 12 -6.315 -4.467 2.534
92 HB3 GLN 12 HB1 GLN 12 -7.731 -4.588 1.499
93 HG2 GLN 12 HG2 GLN 12 -8.394 -6.648 2.670
94 HG3 GLN 12 HG1 GLN 12 -7.008 -6.479 3.734
95 HE21 GLN 12 1HE2 GLN 12 -8.998 -3.805 2.623
96 HE22 GLN 12 2HE2 GLN 12 -9.671 -3.440 4.168
97 H VAL 13 H VAL 13 -7.880 -5.633 -0.773
98 HA VAL 13 HA VAL 13 -9.395 -8.031 -0.402
99 HB VAL 13 HB VAL 13 -9.604 -5.910 -2.558
100 HG11 VAL 13 HG11 VAL 13 -11.825 -6.842 -3.039
101 HG12 VAL 13 HG12 VAL 13 -11.531 -8.133 -1.873
102 HG13 VAL 13 3HG1 VAL 13 -10.554 -8.029 -3.336
103 HG21 VAL 13 HG21 VAL 13 -10.082 -5.057 -0.330
104 HG22 VAL 13 HG22 VAL 13 -11.235 -6.365 -0.060
105 HG23 VAL 13 HG23 VAL 13 -11.560 -5.142 -1.289
106 H MET 14 H MET 14 -7.147 -6.862 -2.863
107 HA MET 14 HA MET 14 -7.563 -9.051 -4.630
108 HB2 MET 14 HB2 MET 14 -6.716 -6.847 -5.371
109 HB3 MET 14 HB1 MET 14 -5.223 -7.151 -4.506
110 HG2 MET 14 HG2 MET 14 -4.901 -7.582 -6.850
111 HG3 MET 14 HG1 MET 14 -4.801 -9.096 -5.950
112 HE1 MET 14 HE1 MET 14 -6.388 -10.182 -9.374
113 HE2 MET 14 HE2 MET 14 -5.087 -10.474 -8.223
114 HE3 MET 14 3HE MET 14 -5.158 -8.946 -9.105
115 H LYS 15 H LYS 15 -4.968 -8.316 -2.280
116 HA LYS 15 HA LYS 15 -4.188 -11.097 -2.489
117 HB2 LYS 15 HB2 LYS 15 -1.787 -10.369 -2.416
118 HB3 LYS 15 HB1 LYS 15 -2.649 -10.013 -3.902
119 HG2 LYS 15 HG2 LYS 15 -2.967 -7.671 -3.093
120 HG3 LYS 15 HG1 LYS 15 -1.956 -8.061 -1.705
121 HD2 LYS 15 HD2 LYS 15 -0.580 -6.981 -3.342
122 HD3 LYS 15 HD1 LYS 15 -0.166 -8.701 -3.292
123 HE2 LYS 15 HE2 LYS 15 -1.537 -9.108 -5.262
124 HE3 LYS 15 HE1 LYS 15 -1.981 -7.403 -5.320
125 HZ1 LYS 15 HZ1 LYS 15 -0.262 -7.909 -6.877
126 HZ2 LYS 15 HZ2 LYS 15 0.734 -8.544 -5.682
127 HZ3 LYS 15 HZ3 LYS 15 0.365 -6.888 -5.694
128 HA PRO 16 HA PRO 16 -4.649 -9.930 1.895
129 HB2 PRO 16 HB2 PRO 16 -6.230 -12.286 2.278
130 HB3 PRO 16 HB1 PRO 16 -6.768 -10.604 2.275
131 HG2 PRO 16 HG2 PRO 16 -7.475 -12.465 0.362
132 HG3 PRO 16 HG1 PRO 16 -7.493 -10.711 0.122
133 HD2 PRO 16 HD2 PRO 16 -5.424 -12.708 -0.685
134 HD3 PRO 16 HD1 PRO 16 -6.048 -11.297 -1.573
135 H GLN 17 H GLN 17 -2.971 -10.435 3.059
136 HA GLN 17 HA GLN 17 -1.399 -11.474 4.213
137 HB2 GLN 17 HB2 GLN 17 -3.232 -12.961 4.999
138 HB3 GLN 17 HB1 GLN 17 -2.863 -14.062 3.679
139 HG2 GLN 17 HG2 GLN 17 -0.649 -14.455 4.620
140 HG3 GLN 17 HG1 GLN 17 -0.995 -13.315 5.918
141 HE21 GLN 17 1HE2 GLN 17 -3.324 -15.620 4.637
142 HE22 GLN 17 2HE2 GLN 17 -3.404 -16.583 6.056
143 H GLY 18 H GLY 18 0.378 -11.132 3.106
144 HA2 GLY 18 HA2 GLY 18 1.508 -13.333 1.657
145 HA3 GLY 18 HA1 GLY 18 1.211 -11.894 0.683
146 H GLY 19 H GLY 19 3.776 -12.681 0.954
147 HA2 GLY 19 HA2 GLY 19 4.875 -11.183 3.193
148 HA3 GLY 19 HA1 GLY 19 5.767 -12.282 2.150
149 H GLU 20 H GLU 20 6.457 -11.585 0.151
150 HA GLU 20 HA GLU 20 7.279 -8.898 0.096
151 HB2 GLU 20 HB2 GLU 20 7.400 -11.030 -2.022
152 HB3 GLU 20 HB1 GLU 20 8.094 -9.432 -2.230
153 HG2 GLU 20 HG2 GLU 20 8.860 -11.440 -0.122
154 HG3 GLU 20 HG1 GLU 20 9.780 -11.053 -1.575
155 H GLU 21 H GLU 21 4.580 -10.541 -1.361
156 HA GLU 21 HA GLU 21 3.857 -8.585 -3.236
157 HB2 GLU 21 HB2 GLU 21 2.237 -10.624 -1.734
158 HB3 GLU 21 HB1 GLU 21 1.510 -9.528 -2.893
159 HG2 GLU 21 HG2 GLU 21 3.715 -11.479 -3.507
160 HG3 GLU 21 HG1 GLU 21 2.002 -11.731 -3.847
161 H GLN 22 H GLN 22 2.757 -8.986 0.123
162 HA GLN 22 HA GLN 22 1.199 -6.592 0.030
163 HB2 GLN 22 HB2 GLN 22 0.748 -8.583 1.549
164 HB3 GLN 22 HB1 GLN 22 2.117 -8.051 2.509
165 HG2 GLN 22 HG2 GLN 22 0.043 -7.302 3.501
166 HG3 GLN 22 HG1 GLN 22 0.991 -5.924 2.942
167 HE21 GLN 22 1HE2 GLN 22 -1.827 -7.850 2.395
168 HE22 GLN 22 2HE2 GLN 22 -2.623 -6.779 1.311
169 H ARG 23 H ARG 23 4.430 -7.457 1.067
170 HA ARG 23 HA ARG 23 5.163 -5.145 2.461
171 HB2 ARG 23 HB2 ARG 23 6.425 -7.275 2.377
172 HB3 ARG 23 HB1 ARG 23 6.820 -6.940 0.700
173 HG2 ARG 23 HG2 ARG 23 8.025 -4.949 1.396
174 HG3 ARG 23 HG1 ARG 23 7.655 -5.344 3.081
175 HD2 ARG 23 HD2 ARG 23 8.795 -7.516 2.783
176 HD3 ARG 23 HD1 ARG 23 9.227 -7.040 1.146
177 HE ARG 23 HE ARG 23 10.076 -5.228 3.197
178 HH11 ARG 23 HH11 ARG 23 10.954 -8.106 1.324
179 HH12 ARG 23 HH12 ARG 23 12.632 -7.895 1.520
180 HH21 ARG 23 HH21 ARG 23 12.392 -4.989 3.528
181 HH22 ARG 23 HH22 ARG 23 13.457 -6.112 2.821
182 H ARG 24 H ARG 24 5.319 -6.024 -0.946
183 HA ARG 24 HA ARG 24 6.548 -3.713 -1.926
184 HB2 ARG 24 HB2 ARG 24 6.252 -5.920 -3.090
185 HB3 ARG 24 HB1 ARG 24 4.567 -5.508 -3.325
186 HG2 ARG 24 HG2 ARG 24 5.142 -3.714 -4.787
187 HG3 ARG 24 HG1 ARG 24 6.858 -3.890 -4.417
188 HD2 ARG 24 HD2 ARG 24 5.096 -5.918 -5.784
189 HD3 ARG 24 HD1 ARG 24 6.361 -4.956 -6.544
190 HE ARG 24 HE ARG 24 7.924 -6.138 -4.975
191 HH11 ARG 24 HH11 ARG 24 5.002 -7.669 -6.178
192 HH12 ARG 24 HH12 ARG 24 5.464 -9.261 -5.893
193 HH21 ARG 24 HH21 ARG 24 8.684 -8.359 -4.602
194 HH22 ARG 24 HH22 ARG 24 7.697 -9.669 -5.042
195 H CYS 25 H CYS 25 3.123 -4.622 -1.545
196 HA CYS 25 HA CYS 25 1.970 -2.261 -2.458
197 HB2 CYS 25 HB2 CYS 25 1.055 -4.259 -0.404
198 HB3 CYS 25 HB1 CYS 25 0.131 -2.795 -0.694
199 H GLN 26 H GLN 26 3.081 -3.071 0.809
200 HA GLN 26 HA GLN 26 2.400 -0.727 2.139
201 HB2 GLN 26 HB2 GLN 26 4.817 -2.488 2.527
202 HB3 GLN 26 HB1 GLN 26 4.347 -1.212 3.633
203 HG2 GLN 26 HG2 GLN 26 2.293 -2.387 4.150
204 HG3 GLN 26 HG1 GLN 26 2.687 -3.627 2.958
205 HE21 GLN 26 1HE2 GLN 26 2.652 -5.223 4.531
206 HE22 GLN 26 2HE2 GLN 26 3.919 -5.401 5.683
207 H GLN 27 H GLN 27 5.503 -1.502 0.611
208 HA GLN 27 HA GLN 27 6.655 0.988 1.149
209 HB2 GLN 27 HB2 GLN 27 8.023 -0.952 0.646
210 HB3 GLN 27 HB1 GLN 27 7.405 -0.986 -0.999
211 HG2 GLN 27 HG2 GLN 27 8.472 1.068 -1.532
212 HG3 GLN 27 HG1 GLN 27 8.917 1.342 0.149
213 HE21 GLN 27 1HE2 GLN 27 10.583 0.184 1.034
214 HE22 GLN 27 2HE2 GLN 27 11.752 -0.635 0.067
215 H GLU 28 H GLU 28 5.059 -0.151 -1.808
216 HA GLU 28 HA GLU 28 5.491 2.195 -3.307
217 HB2 GLU 28 HB2 GLU 28 3.273 0.148 -3.479
218 HB3 GLU 28 HB1 GLU 28 3.565 1.397 -4.680
219 HG2 GLU 28 HG2 GLU 28 5.540 -0.740 -3.919
220 HG3 GLU 28 HG1 GLU 28 4.460 -0.815 -5.308
221 H CYS 29 H CYS 29 2.914 1.207 -1.130
222 HA CYS 29 HA CYS 29 1.154 3.336 -1.641
223 HB2 CYS 29 HB2 CYS 29 0.851 1.052 -0.352
224 HB3 CYS 29 HB1 CYS 29 1.288 2.031 1.044
225 H GLU 30 H GLU 30 3.647 2.813 0.825
226 HA GLU 30 HA GLU 30 3.173 5.296 2.086
227 HB2 GLU 30 HB2 GLU 30 5.405 3.299 2.342
228 HB3 GLU 30 HB1 GLU 30 5.318 4.766 3.308
229 HG2 GLU 30 HG2 GLU 30 3.174 4.061 4.218
230 HG3 GLU 30 HG1 GLU 30 3.213 2.615 3.216
231 H GLU 31 H GLU 31 5.258 4.304 -0.531
232 HA GLU 31 HA GLU 31 6.870 6.647 -0.488
233 HB2 GLU 31 HB2 GLU 31 7.450 4.487 -1.660
234 HB3 GLU 31 HB1 GLU 31 6.228 4.876 -2.859
235 HG2 GLU 31 HG2 GLU 31 8.437 5.437 -3.677
236 HG3 GLU 31 HG1 GLU 31 7.469 6.896 -3.464
237 H ARG 32 H ARG 32 3.846 5.726 -2.049
238 HA ARG 32 HA ARG 32 3.483 8.147 -3.488
239 HB2 ARG 32 HB2 ARG 32 2.259 6.097 -4.060
240 HB3 ARG 32 HB1 ARG 32 1.451 6.126 -2.501
241 HG2 ARG 32 HG2 ARG 32 0.372 8.253 -3.129
242 HG3 ARG 32 HG1 ARG 32 1.159 8.154 -4.699
243 HD2 ARG 32 HD2 ARG 32 -0.020 6.101 -5.203
244 HD3 ARG 32 HD1 ARG 32 -0.756 6.101 -3.600
245 HE ARG 32 HE ARG 32 -1.466 8.495 -4.599
246 HH11 ARG 32 HH11 ARG 32 -1.923 5.163 -5.712
247 HH12 ARG 32 HH12 ARG 32 -3.298 5.493 -6.647
248 HH21 ARG 32 HH21 ARG 32 -3.313 8.997 -5.933
249 HH22 ARG 32 HH22 ARG 32 -4.134 7.768 -6.764
250 H LEU 33 H LEU 33 2.590 7.023 -0.307
251 HA LEU 33 HA LEU 33 0.915 9.057 0.583
252 HB2 LEU 33 HB2 LEU 33 1.294 6.920 1.741
253 HB3 LEU 33 HB1 LEU 33 2.916 7.434 2.142
254 HG LEU 33 HG LEU 33 1.975 9.223 3.567
255 HD11 LEU 33 HD11 LEU 33 -0.662 7.917 2.923
256 HD12 LEU 33 HD12 LEU 33 -0.156 9.537 2.444
257 HD13 LEU 33 HD13 LEU 33 -0.398 9.157 4.149
258 HD21 LEU 33 HD21 LEU 33 0.986 6.446 4.190
259 HD22 LEU 33 HD22 LEU 33 1.223 7.750 5.354
260 HD23 LEU 33 HD23 LEU 33 2.607 7.062 4.506
261 H ARG 34 H ARG 34 4.408 8.804 0.607
262 HA ARG 34 HA ARG 34 6.095 10.250 0.904
263 HB2 ARG 34 HB2 ARG 34 3.999 12.267 0.080
264 HB3 ARG 34 HB1 ARG 34 5.709 12.644 0.249
265 HG2 ARG 34 HG2 ARG 34 6.284 11.178 -1.534
266 HG3 ARG 34 HG1 ARG 34 4.648 10.523 -1.593
267 HD2 ARG 34 HD2 ARG 34 5.364 13.388 -2.147
268 HD3 ARG 34 HD1 ARG 34 5.146 12.161 -3.397
269 HE ARG 34 HE ARG 34 2.863 12.110 -1.861
270 HH11 ARG 34 HH11 ARG 34 4.514 14.490 -3.896
271 HH12 ARG 34 HH12 ARG 34 3.089 15.318 -4.317
272 HH21 ARG 34 HH21 ARG 34 0.913 13.252 -2.432
273 HH22 ARG 34 HH22 ARG 34 0.977 14.592 -3.481
274 H ASP 35 H ASP 35 5.962 9.596 3.096
275 HA ASP 35 HA ASP 35 5.551 11.832 4.878
276 HB2 ASP 35 HB2 ASP 35 3.401 10.681 4.964
277 HB3 ASP 35 HB1 ASP 35 4.200 9.149 5.267
Start of MODEL 14
1 H PCA 1 H PGL 1 -8.615 9.314 6.715
2 HA PCA 1 HA PGL 1 -7.316 10.520 4.892
3 HB2 PCA 1 HB1 PGL 1 -5.056 10.317 5.087
4 HB3 PCA 1 HB2 PGL 1 -5.186 8.553 4.843
5 HG2 PCA 1 HG1 PGL 1 -4.788 10.026 7.341
6 HG3 PCA 1 HG2 PGL 1 -4.763 8.252 7.054
7 H LYS 2 H LYS 2 -8.754 9.921 3.458
8 HA LYS 2 HA LYS 2 -9.641 7.320 2.991
9 HB2 LYS 2 HB2 LYS 2 -9.928 9.826 1.380
10 HB3 LYS 2 HB1 LYS 2 -10.660 8.301 0.913
11 HG2 LYS 2 HG2 LYS 2 -11.906 8.274 3.018
12 HG3 LYS 2 HG1 LYS 2 -11.189 9.829 3.448
13 HD2 LYS 2 HD2 LYS 2 -12.213 10.877 1.535
14 HD3 LYS 2 HD1 LYS 2 -12.830 9.319 0.979
15 HE2 LYS 2 HE2 LYS 2 -14.172 9.146 3.028
16 HE3 LYS 2 HE1 LYS 2 -13.582 10.727 3.535
17 HZ1 LYS 2 HZ1 LYS 2 -15.776 10.810 2.488
18 HZ2 LYS 2 HZ2 LYS 2 -15.129 10.228 1.047
19 HZ3 LYS 2 HZ3 LYS 2 -14.651 11.723 1.641
20 H GLU 3 H GLU 3 -7.206 9.219 1.265
21 HA GLU 3 HA GLU 3 -7.061 7.395 -0.864
22 HB2 GLU 3 HB2 GLU 3 -6.278 9.780 -0.931
23 HB3 GLU 3 HB1 GLU 3 -4.901 9.299 0.044
24 HG2 GLU 3 HG2 GLU 3 -4.295 9.464 -2.269
25 HG3 GLU 3 HG1 GLU 3 -4.185 7.791 -1.700
26 H THR 4 H THR 4 -5.601 7.550 2.184
27 HA THR 4 HA THR 4 -3.643 5.520 1.810
28 HB THR 4 HB THR 4 -5.031 6.299 4.353
29 HG1 THR 4 HG1 THR 4 -2.646 7.429 4.188
30 HG21 THR 4 HG21 THR 4 -2.948 5.551 5.437
31 HG22 THR 4 HG22 THR 4 -2.299 5.108 3.858
32 HG23 THR 4 HG23 THR 4 -3.693 4.246 4.510
33 H GLU 5 H GLU 5 -7.024 5.556 2.793
34 HA GLU 5 HA GLU 5 -7.272 2.837 3.526
35 HB2 GLU 5 HB2 GLU 5 -9.363 4.740 2.452
36 HB3 GLU 5 HB1 GLU 5 -9.698 3.181 3.188
37 HG2 GLU 5 HG2 GLU 5 -8.378 5.505 4.559
38 HG3 GLU 5 HG1 GLU 5 -10.073 5.056 4.713
39 H ILE 6 H ILE 6 -8.008 4.556 0.532
40 HA ILE 6 HA ILE 6 -8.806 2.350 -1.018
41 HB ILE 6 HB ILE 6 -7.392 4.842 -2.004
42 HG12 ILE 6 HG12 ILE 6 -10.367 4.401 -1.735
43 HG13 ILE 6 HG11 ILE 6 -9.406 5.266 -0.540
44 HG21 ILE 6 HG21 ILE 6 -9.294 2.936 -3.382
45 HG22 ILE 6 HG22 ILE 6 -7.563 3.071 -3.685
46 HG23 ILE 6 HG23 ILE 6 -8.638 4.411 -4.089
47 HD11 ILE 6 HD11 ILE 6 -8.728 6.832 -2.238
48 HD12 ILE 6 HD12 ILE 6 -10.488 6.821 -2.025
49 HD13 ILE 6 HD13 ILE 6 -9.745 6.017 -3.423
50 H CYS 7 H CYS 7 -5.694 4.010 -0.811
51 HA CYS 7 HA CYS 7 -4.117 2.501 -2.486
52 HB2 CYS 7 HB2 CYS 7 -3.405 4.578 -1.251
53 HB3 CYS 7 HB1 CYS 7 -3.206 3.594 0.187
54 H ARG 8 H ARG 8 -4.825 1.788 0.946
55 HA ARG 8 HA ARG 8 -3.318 -0.627 0.897
56 HB2 ARG 8 HB2 ARG 8 -3.561 0.445 3.027
57 HB3 ARG 8 HB1 ARG 8 -5.311 0.468 2.879
58 HG2 ARG 8 HG2 ARG 8 -4.622 -1.228 4.477
59 HG3 ARG 8 HG1 ARG 8 -5.365 -1.975 3.070
60 HD2 ARG 8 HD2 ARG 8 -3.075 -2.449 2.193
61 HD3 ARG 8 HD1 ARG 8 -2.414 -1.822 3.708
62 HE ARG 8 HE ARG 8 -4.395 -3.877 4.014
63 HH11 ARG 8 HH11 ARG 8 -0.905 -3.304 3.675
64 HH12 ARG 8 HH12 ARG 8 -0.432 -4.739 4.429
65 HH21 ARG 8 HH21 ARG 8 -3.747 -5.892 5.060
66 HH22 ARG 8 HH22 ARG 8 -2.100 -6.251 5.211
67 H GLN 9 H GLN 9 -6.797 0.123 0.764
68 HA GLN 9 HA GLN 9 -7.790 -2.456 0.848
69 HB2 GLN 9 HB2 GLN 9 -9.210 -0.486 1.079
70 HB3 GLN 9 HB1 GLN 9 -8.937 -0.069 -0.603
71 HG2 GLN 9 HG2 GLN 9 -10.141 -2.016 -1.338
72 HG3 GLN 9 HG1 GLN 9 -10.301 -2.592 0.318
73 HE21 GLN 9 1HE2 GLN 9 -11.770 -1.626 1.658
74 HE22 GLN 9 2HE2 GLN 9 -13.014 -0.576 1.120
75 H TRP 10 H TRP 10 -6.667 -0.617 -1.909
76 HA TRP 10 HA TRP 10 -7.459 -2.257 -3.999
77 HB2 TRP 10 HB2 TRP 10 -6.407 0.013 -4.168
78 HB3 TRP 10 HB1 TRP 10 -4.859 -0.732 -3.792
79 HD1 TRP 10 HD TRP 10 -7.489 -0.541 -6.558
80 HE1 TRP 10 HE1 TRP 10 -6.420 -1.273 -8.762
81 HE3 TRP 10 3HE TRP 10 -3.018 -2.112 -4.759
82 HZ2 TRP 10 HZ2 TRP 10 -3.976 -2.374 -9.631
83 HZ3 TRP 10 HZ3 TRP 10 -1.346 -2.997 -6.339
84 HH2 TRP 10 HH TRP 10 -1.822 -3.124 -8.724
85 H CYS 11 H CYS 11 -4.389 -2.357 -2.209
86 HA CYS 11 HA CYS 11 -3.618 -4.814 -3.460
87 HB2 CYS 11 HB2 CYS 11 -2.417 -3.000 -1.462
88 HB3 CYS 11 HB1 CYS 11 -1.889 -4.679 -1.436
89 H GLN 12 H GLN 12 -5.167 -3.938 -0.489
90 HA GLN 12 HA GLN 12 -4.886 -6.223 1.042
91 HB2 GLN 12 HB2 GLN 12 -5.902 -4.168 1.878
92 HB3 GLN 12 HB1 GLN 12 -7.257 -4.388 0.779
93 HG2 GLN 12 HG2 GLN 12 -7.861 -6.448 1.963
94 HG3 GLN 12 HG1 GLN 12 -6.548 -6.160 3.100
95 HE21 GLN 12 1HE2 GLN 12 -9.436 -6.346 3.499
96 HE22 GLN 12 2HE2 GLN 12 -9.895 -4.914 4.317
97 H VAL 13 H VAL 13 -7.326 -5.409 -1.396
98 HA VAL 13 HA VAL 13 -8.607 -7.976 -1.103
99 HB VAL 13 HB VAL 13 -9.225 -5.686 -2.984
100 HG11 VAL 13 HG11 VAL 13 -10.109 -7.792 -3.838
101 HG12 VAL 13 HG12 VAL 13 -11.419 -6.755 -3.269
102 HG13 VAL 13 3HG1 VAL 13 -10.874 -8.110 -2.281
103 HG21 VAL 13 HG21 VAL 13 -11.061 -5.180 -1.439
104 HG22 VAL 13 HG22 VAL 13 -9.486 -5.048 -0.655
105 HG23 VAL 13 HG23 VAL 13 -10.499 -6.462 -0.365
106 H MET 14 H MET 14 -6.598 -6.306 -3.489
107 HA MET 14 HA MET 14 -6.915 -8.129 -5.596
108 HB2 MET 14 HB2 MET 14 -5.952 -5.878 -5.880
109 HB3 MET 14 HB1 MET 14 -4.519 -6.389 -5.007
110 HG2 MET 14 HG2 MET 14 -4.130 -6.363 -7.403
111 HG3 MET 14 HG1 MET 14 -4.005 -8.001 -6.759
112 HE1 MET 14 HE1 MET 14 -5.462 -8.540 -10.369
113 HE2 MET 14 HE2 MET 14 -4.147 -8.928 -9.257
114 HE3 MET 14 3HE MET 14 -4.319 -7.290 -9.882
115 H LYS 15 H LYS 15 -4.596 -8.082 -2.926
116 HA LYS 15 HA LYS 15 -3.921 -10.805 -3.650
117 HB2 LYS 15 HB2 LYS 15 -1.999 -8.675 -2.696
118 HB3 LYS 15 HB1 LYS 15 -1.623 -10.389 -2.705
119 HG2 LYS 15 HG2 LYS 15 -2.037 -10.365 -5.187
120 HG3 LYS 15 HG1 LYS 15 -2.136 -8.606 -5.080
121 HD2 LYS 15 HD2 LYS 15 0.123 -8.526 -4.156
122 HD3 LYS 15 HD1 LYS 15 0.216 -10.284 -4.204
123 HE2 LYS 15 HE2 LYS 15 1.407 -9.479 -6.083
124 HE3 LYS 15 HE1 LYS 15 -0.112 -10.133 -6.691
125 HZ1 LYS 15 HZ1 LYS 15 -0.955 -7.805 -6.766
126 HZ2 LYS 15 HZ2 LYS 15 0.394 -8.060 -7.748
127 HZ3 LYS 15 HZ3 LYS 15 0.572 -7.292 -6.266
128 HA PRO 16 HA PRO 16 -5.729 -11.318 0.437
129 HB2 PRO 16 HB2 PRO 16 -4.698 -14.061 -0.052
130 HB3 PRO 16 HB1 PRO 16 -6.307 -13.532 0.455
131 HG2 PRO 16 HG2 PRO 16 -5.860 -14.376 -2.036
132 HG3 PRO 16 HG1 PRO 16 -6.978 -13.043 -1.703
133 HD2 PRO 16 HD2 PRO 16 -4.194 -12.965 -2.776
134 HD3 PRO 16 HD1 PRO 16 -5.598 -11.943 -3.177
135 H GLN 17 H GLN 17 -4.895 -12.036 2.459
136 HA GLN 17 HA GLN 17 -2.344 -10.897 2.878
137 HB2 GLN 17 HB2 GLN 17 -3.824 -12.556 4.907
138 HB3 GLN 17 HB1 GLN 17 -2.683 -11.251 5.207
139 HG2 GLN 17 HG2 GLN 17 -5.447 -11.000 4.045
140 HG3 GLN 17 HG1 GLN 17 -4.923 -10.481 5.636
141 HE21 GLN 17 1HE2 GLN 17 -6.095 -9.139 3.284
142 HE22 GLN 17 2HE2 GLN 17 -5.069 -7.783 2.979
143 H GLY 18 H GLY 18 -0.508 -11.777 2.398
144 HA2 GLY 18 HA2 GLY 18 -0.047 -14.586 3.096
145 HA3 GLY 18 HA1 GLY 18 0.532 -13.881 1.586
146 H GLY 19 H GLY 19 2.201 -12.489 1.595
147 HA2 GLY 19 HA2 GLY 19 3.308 -11.517 4.070
148 HA3 GLY 19 HA1 GLY 19 4.260 -12.799 3.343
149 H GLU 20 H GLU 20 5.035 -12.472 1.180
150 HA GLU 20 HA GLU 20 6.487 -10.100 0.940
151 HB2 GLU 20 HB2 GLU 20 5.844 -12.131 -1.198
152 HB3 GLU 20 HB1 GLU 20 7.000 -10.829 -1.394
153 HG2 GLU 20 HG2 GLU 20 8.229 -12.784 -0.946
154 HG3 GLU 20 HG1 GLU 20 8.262 -11.804 0.521
155 H GLU 21 H GLU 21 3.602 -11.157 -0.578
156 HA GLU 21 HA GLU 21 3.027 -9.220 -2.448
157 HB2 GLU 21 HB2 GLU 21 0.960 -10.318 -0.532
158 HB3 GLU 21 HB1 GLU 21 0.667 -9.672 -2.131
159 HG2 GLU 21 HG2 GLU 21 0.476 -11.969 -2.410
160 HG3 GLU 21 HG1 GLU 21 2.114 -11.631 -2.959
161 H GLN 22 H GLN 22 2.072 -9.155 0.964
162 HA GLN 22 HA GLN 22 1.045 -6.543 0.848
163 HB2 GLN 22 HB2 GLN 22 1.724 -8.341 3.162
164 HB3 GLN 22 HB1 GLN 22 1.140 -6.701 3.393
165 HG2 GLN 22 HG2 GLN 22 -0.701 -8.211 3.609
166 HG3 GLN 22 HG1 GLN 22 -0.900 -7.282 2.132
167 HE21 GLN 22 1HE2 GLN 22 -2.236 -8.757 1.181
168 HE22 GLN 22 2HE2 GLN 22 -1.727 -10.297 0.644
169 H ARG 23 H ARG 23 4.178 -7.836 1.801
170 HA ARG 23 HA ARG 23 5.252 -5.475 2.811
171 HB2 ARG 23 HB2 ARG 23 6.343 -7.595 3.168
172 HB3 ARG 23 HB1 ARG 23 6.519 -7.850 1.442
173 HG2 ARG 23 HG2 ARG 23 8.628 -7.258 2.407
174 HG3 ARG 23 HG1 ARG 23 8.042 -5.984 1.328
175 HD2 ARG 23 HD2 ARG 23 7.284 -4.685 3.261
176 HD3 ARG 23 HD1 ARG 23 7.878 -5.947 4.342
177 HE ARG 23 HE ARG 23 10.090 -5.362 3.009
178 HH11 ARG 23 HH11 ARG 23 7.718 -3.146 4.452
179 HH12 ARG 23 HH12 ARG 23 8.856 -1.947 4.812
180 HH21 ARG 23 HH21 ARG 23 11.630 -3.707 3.499
181 HH22 ARG 23 HH22 ARG 23 11.142 -2.254 4.254
182 H ARG 24 H ARG 24 5.292 -6.806 -0.477
183 HA ARG 24 HA ARG 24 6.696 -4.684 -1.698
184 HB2 ARG 24 HB2 ARG 24 4.654 -6.557 -2.894
185 HB3 ARG 24 HB1 ARG 24 5.685 -5.483 -3.821
186 HG2 ARG 24 HG2 ARG 24 7.658 -6.687 -2.976
187 HG3 ARG 24 HG1 ARG 24 6.585 -7.788 -2.106
188 HD2 ARG 24 HD2 ARG 24 7.300 -8.738 -4.246
189 HD3 ARG 24 HD1 ARG 24 5.556 -8.460 -4.210
190 HE ARG 24 HE ARG 24 7.142 -6.325 -5.287
191 HH11 ARG 24 HH11 ARG 24 5.324 -9.261 -6.099
192 HH12 ARG 24 HH12 ARG 24 5.024 -8.786 -7.711
193 HH21 ARG 24 HH21 ARG 24 6.701 -5.686 -7.487
194 HH22 ARG 24 HH22 ARG 24 5.817 -6.729 -8.508
195 H CYS 25 H CYS 25 3.246 -5.319 -1.351
196 HA CYS 25 HA CYS 25 2.366 -3.014 -2.643
197 HB2 CYS 25 HB2 CYS 25 1.094 -4.952 -0.791
198 HB3 CYS 25 HB1 CYS 25 0.269 -3.433 -1.131
199 H GLN 26 H GLN 26 3.358 -3.470 0.682
200 HA GLN 26 HA GLN 26 2.350 -1.027 1.642
201 HB2 GLN 26 HB2 GLN 26 3.154 -3.017 3.007
202 HB3 GLN 26 HB1 GLN 26 4.793 -2.557 2.600
203 HG2 GLN 26 HG2 GLN 26 2.916 -0.712 4.042
204 HG3 GLN 26 HG1 GLN 26 3.902 -1.898 4.886
205 HE21 GLN 26 1HE2 GLN 26 3.864 1.022 4.978
206 HE22 GLN 26 2HE2 GLN 26 5.479 1.509 4.616
207 H GLN 27 H GLN 27 5.400 -2.013 0.215
208 HA GLN 27 HA GLN 27 6.730 0.468 0.371
209 HB2 GLN 27 HB2 GLN 27 7.114 -1.812 -1.573
210 HB3 GLN 27 HB1 GLN 27 8.249 -0.488 -1.354
211 HG2 GLN 27 HG2 GLN 27 8.574 -1.173 0.975
212 HG3 GLN 27 HG1 GLN 27 7.459 -2.512 0.730
213 HE21 GLN 27 1HE2 GLN 27 8.580 -2.963 -2.028
214 HE22 GLN 27 2HE2 GLN 27 10.069 -3.767 -1.742
215 H GLU 28 H GLU 28 4.930 -1.082 -2.271
216 HA GLU 28 HA GLU 28 5.106 1.003 -4.128
217 HB2 GLU 28 HB2 GLU 28 2.882 -1.004 -3.748
218 HB3 GLU 28 HB1 GLU 28 3.014 0.073 -5.126
219 HG2 GLU 28 HG2 GLU 28 4.940 -2.106 -4.354
220 HG3 GLU 28 HG1 GLU 28 3.796 -2.134 -5.695
221 H CYS 29 H CYS 29 2.718 0.400 -1.594
222 HA CYS 29 HA CYS 29 0.957 2.446 -2.254
223 HB2 CYS 29 HB2 CYS 29 0.417 0.616 -0.660
224 HB3 CYS 29 HB1 CYS 29 1.504 1.348 0.513
225 H GLU 30 H GLU 30 3.533 2.488 0.248
226 HA GLU 30 HA GLU 30 3.194 5.162 0.975
227 HB2 GLU 30 HB2 GLU 30 5.599 3.367 1.094
228 HB3 GLU 30 HB1 GLU 30 5.599 4.999 1.744
229 HG2 GLU 30 HG2 GLU 30 3.730 2.803 2.586
230 HG3 GLU 30 HG1 GLU 30 5.189 3.287 3.448
231 H GLU 31 H GLU 31 5.164 3.738 -1.538
232 HA GLU 31 HA GLU 31 6.716 5.945 -2.249
233 HB2 GLU 31 HB2 GLU 31 6.914 3.500 -2.959
234 HB3 GLU 31 HB1 GLU 31 5.677 3.855 -4.151
235 HG2 GLU 31 HG2 GLU 31 7.768 3.981 -5.242
236 HG3 GLU 31 HG1 GLU 31 7.186 5.637 -5.047
237 H ARG 32 H ARG 32 3.530 4.885 -3.354
238 HA ARG 32 HA ARG 32 3.334 7.066 -5.285
239 HB2 ARG 32 HB2 ARG 32 1.306 4.950 -4.607
240 HB3 ARG 32 HB1 ARG 32 1.313 5.988 -6.029
241 HG2 ARG 32 HG2 ARG 32 3.398 4.948 -6.764
242 HG3 ARG 32 HG1 ARG 32 3.363 3.945 -5.310
243 HD2 ARG 32 HD2 ARG 32 1.178 3.030 -6.075
244 HD3 ARG 32 HD1 ARG 32 1.392 3.912 -7.590
245 HE ARG 32 HE ARG 32 3.448 2.042 -6.713
246 HH11 ARG 32 HH11 ARG 32 0.954 2.892 -9.103
247 HH12 ARG 32 HH12 ARG 32 1.354 1.623 -10.147
248 HH21 ARG 32 HH21 ARG 32 3.951 0.282 -8.143
249 HH22 ARG 32 HH22 ARG 32 3.106 0.103 -9.619
250 H LEU 33 H LEU 33 2.109 6.174 -2.209
251 HA LEU 33 HA LEU 33 -0.052 8.028 -2.086
252 HB2 LEU 33 HB2 LEU 33 0.101 6.024 -0.653
253 HB3 LEU 33 HB1 LEU 33 1.488 6.715 0.155
254 HG LEU 33 HG LEU 33 0.030 8.544 1.001
255 HD11 LEU 33 HD11 LEU 33 -2.179 6.881 -0.196
256 HD12 LEU 33 HD12 LEU 33 -1.698 8.504 -0.697
257 HD13 LEU 33 HD13 LEU 33 -2.398 8.244 0.899
258 HD21 LEU 33 HD21 LEU 33 -0.829 5.735 1.685
259 HD22 LEU 33 HD22 LEU 33 -1.113 7.166 2.674
260 HD23 LEU 33 HD23 LEU 33 0.535 6.608 2.384
261 H ARG 34 H ARG 34 3.346 8.141 -1.197
262 HA ARG 34 HA ARG 34 2.992 10.804 -0.098
263 HB2 ARG 34 HB2 ARG 34 4.586 8.819 0.718
264 HB3 ARG 34 HB1 ARG 34 5.676 9.575 -0.436
265 HG2 ARG 34 HG2 ARG 34 6.138 10.462 1.725
266 HG3 ARG 34 HG1 ARG 34 5.343 11.730 0.778
267 HD2 ARG 34 HD2 ARG 34 4.456 11.557 3.082
268 HD3 ARG 34 HD1 ARG 34 3.217 11.252 1.866
269 HE ARG 34 HE ARG 34 4.642 8.979 2.973
270 HH11 ARG 34 HH11 ARG 34 1.667 10.875 2.966
271 HH12 ARG 34 HH12 ARG 34 0.706 9.672 3.651
272 HH21 ARG 34 HH21 ARG 34 3.306 7.226 3.906
273 HH22 ARG 34 HH22 ARG 34 1.679 7.543 4.209
274 H ASP 35 H ASP 35 2.372 11.744 -2.057
275 HA ASP 35 HA ASP 35 4.633 12.376 -3.778
276 HB2 ASP 35 HB2 ASP 35 3.455 10.545 -4.912
277 HB3 ASP 35 HB1 ASP 35 1.948 11.445 -4.820
Start of MODEL 15
1 H PCA 1 H PGL 1 -6.198 11.535 3.392
2 HA PCA 1 HA PGL 1 -4.955 9.449 4.045
3 HB2 PCA 1 HB1 PGL 1 -5.470 8.850 6.166
4 HB3 PCA 1 HB2 PGL 1 -7.009 8.177 5.554
5 HG2 PCA 1 HG1 PGL 1 -6.561 10.650 7.065
6 HG3 PCA 1 HG2 PGL 1 -8.113 9.873 6.596
7 H LYS 2 H LYS 2 -7.484 10.316 2.379
8 HA LYS 2 HA LYS 2 -9.008 8.020 1.865
9 HB2 LYS 2 HB2 LYS 2 -8.469 10.380 0.074
10 HB3 LYS 2 HB1 LYS 2 -9.739 9.193 -0.147
11 HG2 LYS 2 HG2 LYS 2 -9.486 11.106 2.167
12 HG3 LYS 2 HG1 LYS 2 -10.598 11.254 0.808
13 HD2 LYS 2 HD2 LYS 2 -10.591 9.023 2.857
14 HD3 LYS 2 HD1 LYS 2 -11.718 10.371 2.809
15 HE2 LYS 2 HE2 LYS 2 -11.421 8.231 0.690
16 HE3 LYS 2 HE1 LYS 2 -12.721 8.352 1.867
17 HZ1 LYS 2 HZ1 LYS 2 -13.333 10.492 0.878
18 HZ2 LYS 2 HZ2 LYS 2 -13.436 9.225 -0.207
19 HZ3 LYS 2 HZ3 LYS 2 -12.150 10.292 -0.314
20 H GLU 3 H GLU 3 -6.201 9.375 0.234
21 HA GLU 3 HA GLU 3 -6.217 7.427 -1.806
22 HB2 GLU 3 HB2 GLU 3 -3.928 9.167 -0.890
23 HB3 GLU 3 HB1 GLU 3 -3.963 8.227 -2.375
24 HG2 GLU 3 HG2 GLU 3 -5.860 9.532 -3.169
25 HG3 GLU 3 HG1 GLU 3 -5.830 10.480 -1.683
26 H THR 4 H THR 4 -4.867 7.550 1.286
27 HA THR 4 HA THR 4 -3.137 5.293 1.075
28 HB THR 4 HB THR 4 -4.433 6.399 3.548
29 HG1 THR 4 HG1 THR 4 -2.181 7.484 3.541
30 HG21 THR 4 HG21 THR 4 -1.812 4.946 3.133
31 HG22 THR 4 HG22 THR 4 -3.266 4.260 3.856
32 HG23 THR 4 HG23 THR 4 -2.404 5.560 4.678
33 H GLU 5 H GLU 5 -6.482 5.810 2.030
34 HA GLU 5 HA GLU 5 -6.988 3.212 2.986
35 HB2 GLU 5 HB2 GLU 5 -8.846 5.340 1.959
36 HB3 GLU 5 HB1 GLU 5 -9.377 3.831 2.691
37 HG2 GLU 5 HG2 GLU 5 -7.702 5.946 4.018
38 HG3 GLU 5 HG1 GLU 5 -9.420 5.652 4.295
39 H ILE 6 H ILE 6 -7.786 4.729 -0.118
40 HA ILE 6 HA ILE 6 -8.840 2.340 -1.206
41 HB ILE 6 HB ILE 6 -7.939 4.913 -2.545
42 HG12 ILE 6 HG12 ILE 6 -10.368 5.080 -3.172
43 HG13 ILE 6 HG11 ILE 6 -10.668 3.633 -2.228
44 HG21 ILE 6 HG21 ILE 6 -8.821 4.115 -4.690
45 HG22 ILE 6 HG22 ILE 6 -9.073 2.521 -3.983
46 HG23 ILE 6 HG23 ILE 6 -7.439 3.161 -4.146
47 HD11 ILE 6 HD11 ILE 6 -9.675 6.273 -1.195
48 HD12 ILE 6 HD12 ILE 6 -9.912 4.826 -0.229
49 HD13 ILE 6 HD13 ILE 6 -11.303 5.612 -0.989
50 H CYS 7 H CYS 7 -5.678 3.773 -1.244
51 HA CYS 7 HA CYS 7 -4.420 2.062 -3.038
52 HB2 CYS 7 HB2 CYS 7 -3.378 4.113 -2.196
53 HB3 CYS 7 HB1 CYS 7 -3.265 3.410 -0.596
54 H ARG 8 H ARG 8 -4.934 1.675 0.467
55 HA ARG 8 HA ARG 8 -3.590 -0.835 0.463
56 HB2 ARG 8 HB2 ARG 8 -3.655 0.447 2.532
57 HB3 ARG 8 HB1 ARG 8 -5.413 0.366 2.546
58 HG2 ARG 8 HG2 ARG 8 -4.443 -1.226 4.130
59 HG3 ARG 8 HG1 ARG 8 -5.323 -2.058 2.848
60 HD2 ARG 8 HD2 ARG 8 -3.184 -2.466 1.680
61 HD3 ARG 8 HD1 ARG 8 -2.332 -1.683 3.007
62 HE ARG 8 HE ARG 8 -3.924 -4.144 3.332
63 HH11 ARG 8 HH11 ARG 8 -0.990 -2.232 4.007
64 HH12 ARG 8 HH12 ARG 8 -0.260 -3.433 4.961
65 HH21 ARG 8 HH21 ARG 8 -2.842 -5.850 4.631
66 HH22 ARG 8 HH22 ARG 8 -1.334 -5.541 5.306
67 H GLN 9 H GLN 9 -6.994 0.176 0.431
68 HA GLN 9 HA GLN 9 -7.977 -2.411 0.737
69 HB2 GLN 9 HB2 GLN 9 -9.367 -0.005 -0.420
70 HB3 GLN 9 HB1 GLN 9 -10.160 -1.535 -0.065
71 HG2 GLN 9 HG2 GLN 9 -8.875 0.356 1.888
72 HG3 GLN 9 HG1 GLN 9 -10.582 -0.063 1.753
73 HE21 GLN 9 1HE2 GLN 9 -11.256 -2.110 2.472
74 HE22 GLN 9 2HE2 GLN 9 -10.314 -3.037 3.578
75 H TRP 10 H TRP 10 -7.029 -0.712 -2.156
76 HA TRP 10 HA TRP 10 -8.112 -2.488 -4.041
77 HB2 TRP 10 HB2 TRP 10 -7.059 -0.323 -4.642
78 HB3 TRP 10 HB1 TRP 10 -5.493 -0.973 -4.180
79 HD1 TRP 10 HD TRP 10 -8.161 -1.284 -6.934
80 HE1 TRP 10 HE1 TRP 10 -7.070 -2.370 -8.999
81 HE3 TRP 10 3HE TRP 10 -3.662 -2.444 -4.923
82 HZ2 TRP 10 HZ2 TRP 10 -4.606 -3.545 -9.690
83 HZ3 TRP 10 HZ3 TRP 10 -1.954 -3.551 -6.345
84 HH2 TRP 10 HH TRP 10 -2.432 -4.089 -8.680
85 H CYS 11 H CYS 11 -4.988 -2.538 -2.419
86 HA CYS 11 HA CYS 11 -4.128 -5.032 -3.453
87 HB2 CYS 11 HB2 CYS 11 -3.351 -3.470 -0.995
88 HB3 CYS 11 HB1 CYS 11 -2.588 -4.991 -1.429
89 H GLN 12 H GLN 12 -5.812 -4.090 -0.504
90 HA GLN 12 HA GLN 12 -5.703 -6.475 0.873
91 HB2 GLN 12 HB2 GLN 12 -6.353 -4.314 1.867
92 HB3 GLN 12 HB1 GLN 12 -7.874 -4.393 0.988
93 HG2 GLN 12 HG2 GLN 12 -8.231 -5.024 3.268
94 HG3 GLN 12 HG1 GLN 12 -8.476 -6.428 2.229
95 HE21 GLN 12 1HE2 GLN 12 -7.919 -6.378 5.045
96 HE22 GLN 12 2HE2 GLN 12 -6.438 -7.242 5.266
97 H VAL 13 H VAL 13 -8.176 -5.305 -1.435
98 HA VAL 13 HA VAL 13 -9.649 -7.763 -1.056
99 HB VAL 13 HB VAL 13 -11.327 -6.922 -2.590
100 HG11 VAL 13 HG11 VAL 13 -10.458 -4.790 -0.657
101 HG12 VAL 13 HG12 VAL 13 -11.466 -6.188 -0.296
102 HG13 VAL 13 3HG1 VAL 13 -12.060 -4.932 -1.381
103 HG21 VAL 13 HG21 VAL 13 -9.495 -4.566 -3.050
104 HG22 VAL 13 HG22 VAL 13 -11.150 -4.711 -3.649
105 HG23 VAL 13 HG23 VAL 13 -9.901 -5.817 -4.224
106 H MET 14 H MET 14 -7.204 -6.630 -3.135
107 HA MET 14 HA MET 14 -7.828 -8.375 -5.313
108 HB2 MET 14 HB2 MET 14 -6.451 -6.339 -5.649
109 HB3 MET 14 HB1 MET 14 -5.183 -7.055 -4.663
110 HG2 MET 14 HG2 MET 14 -4.983 -8.890 -6.284
111 HG3 MET 14 HG1 MET 14 -6.206 -8.120 -7.290
112 HE1 MET 14 HE1 MET 14 -2.988 -7.576 -9.398
113 HE2 MET 14 HE2 MET 14 -4.650 -8.166 -9.383
114 HE3 MET 14 3HE MET 14 -3.414 -8.993 -8.439
115 H LYS 15 H LYS 15 -5.485 -8.488 -2.621
116 HA LYS 15 HA LYS 15 -5.683 -11.334 -2.653
117 HB2 LYS 15 HB2 LYS 15 -3.999 -10.927 -4.419
118 HB3 LYS 15 HB1 LYS 15 -3.005 -10.068 -3.253
119 HG2 LYS 15 HG2 LYS 15 -2.667 -12.066 -1.979
120 HG3 LYS 15 HG1 LYS 15 -3.815 -12.950 -2.982
121 HD2 LYS 15 HD2 LYS 15 -2.351 -12.603 -4.926
122 HD3 LYS 15 HD1 LYS 15 -1.189 -11.774 -3.888
123 HE2 LYS 15 HE2 LYS 15 -0.562 -14.110 -4.258
124 HE3 LYS 15 HE1 LYS 15 -0.917 -13.789 -2.561
125 HZ1 LYS 15 HZ1 LYS 15 -1.902 -15.858 -3.279
126 HZ2 LYS 15 HZ2 LYS 15 -2.808 -15.095 -4.477
127 HZ3 LYS 15 HZ3 LYS 15 -3.086 -14.770 -2.856
128 HA PRO 16 HA PRO 16 -4.776 -9.929 1.553
129 HB2 PRO 16 HB2 PRO 16 -6.591 -11.854 2.556
130 HB3 PRO 16 HB1 PRO 16 -6.882 -10.118 2.404
131 HG2 PRO 16 HG2 PRO 16 -8.182 -12.146 0.958
132 HG3 PRO 16 HG1 PRO 16 -8.196 -10.421 0.576
133 HD2 PRO 16 HD2 PRO 16 -6.603 -12.614 -0.635
134 HD3 PRO 16 HD1 PRO 16 -7.217 -11.108 -1.354
135 H GLN 17 H GLN 17 -2.965 -10.790 2.351
136 HA GLN 17 HA GLN 17 -2.816 -13.518 3.156
137 HB2 GLN 17 HB2 GLN 17 -2.329 -13.821 0.761
138 HB3 GLN 17 HB1 GLN 17 -1.035 -12.640 0.870
139 HG2 GLN 17 HG2 GLN 17 -0.171 -14.924 0.863
140 HG3 GLN 17 HG1 GLN 17 0.207 -14.089 2.366
141 HE21 GLN 17 1HE2 GLN 17 -2.972 -15.375 1.661
142 HE22 GLN 17 2HE2 GLN 17 -2.918 -16.650 2.810
143 H GLY 18 H GLY 18 -0.867 -10.703 2.274
144 HA2 GLY 18 HA2 GLY 18 0.314 -9.477 3.954
145 HA3 GLY 18 HA1 GLY 18 0.474 -10.985 4.848
146 H GLY 19 H GLY 19 2.631 -11.203 4.906
147 HA2 GLY 19 HA2 GLY 19 4.691 -11.869 4.189
148 HA3 GLY 19 HA1 GLY 19 3.839 -12.598 2.838
149 H GLU 20 H GLU 20 5.034 -12.122 1.145
150 HA GLU 20 HA GLU 20 6.496 -9.689 0.890
151 HB2 GLU 20 HB2 GLU 20 7.366 -11.781 -0.015
152 HB3 GLU 20 HB1 GLU 20 5.991 -11.917 -1.097
153 HG2 GLU 20 HG2 GLU 20 6.714 -9.939 -2.295
154 HG3 GLU 20 HG1 GLU 20 8.056 -9.730 -1.174
155 H GLU 21 H GLU 21 3.453 -10.888 -0.201
156 HA GLU 21 HA GLU 21 2.807 -9.130 -2.276
157 HB2 GLU 21 HB2 GLU 21 1.546 -11.191 -1.441
158 HB3 GLU 21 HB1 GLU 21 0.903 -10.167 -0.174
159 HG2 GLU 21 HG2 GLU 21 -0.697 -10.405 -1.956
160 HG3 GLU 21 HG1 GLU 21 -0.128 -8.736 -1.878
161 H GLN 22 H GLN 22 2.375 -8.919 1.180
162 HA GLN 22 HA GLN 22 1.185 -6.347 1.188
163 HB2 GLN 22 HB2 GLN 22 0.931 -7.918 3.022
164 HB3 GLN 22 HB1 GLN 22 2.641 -7.754 3.420
165 HG2 GLN 22 HG2 GLN 22 2.265 -5.374 3.892
166 HG3 GLN 22 HG1 GLN 22 0.558 -5.582 3.520
167 HE21 GLN 22 1HE2 GLN 22 2.565 -7.904 5.291
168 HE22 GLN 22 2HE2 GLN 22 1.710 -7.722 6.764
169 H ARG 23 H ARG 23 4.497 -7.507 1.500
170 HA ARG 23 HA ARG 23 5.675 -5.041 2.247
171 HB2 ARG 23 HB2 ARG 23 6.952 -7.262 0.630
172 HB3 ARG 23 HB1 ARG 23 7.804 -5.978 1.469
173 HG2 ARG 23 HG2 ARG 23 6.142 -8.119 2.781
174 HG3 ARG 23 HG1 ARG 23 7.896 -8.120 2.651
175 HD2 ARG 23 HD2 ARG 23 6.288 -5.992 4.070
176 HD3 ARG 23 HD1 ARG 23 7.015 -7.382 4.864
177 HE ARG 23 HE ARG 23 9.061 -6.170 3.512
178 HH11 ARG 23 HH11 ARG 23 6.778 -5.192 6.046
179 HH12 ARG 23 HH12 ARG 23 7.828 -4.063 6.758
180 HH21 ARG 23 HH21 ARG 23 10.536 -4.667 4.570
181 HH22 ARG 23 HH22 ARG 23 10.016 -3.778 5.920
182 H ARG 24 H ARG 24 5.110 -6.543 -0.892
183 HA ARG 24 HA ARG 24 6.236 -4.496 -2.435
184 HB2 ARG 24 HB2 ARG 24 4.190 -6.600 -3.089
185 HB3 ARG 24 HB1 ARG 24 4.708 -5.416 -4.280
186 HG2 ARG 24 HG2 ARG 24 6.537 -7.334 -2.846
187 HG3 ARG 24 HG1 ARG 24 5.910 -7.550 -4.484
188 HD2 ARG 24 HD2 ARG 24 6.988 -5.458 -5.171
189 HD3 ARG 24 HD1 ARG 24 7.621 -5.241 -3.546
190 HE ARG 24 HE ARG 24 8.480 -7.704 -4.412
191 HH11 ARG 24 HH11 ARG 24 8.864 -4.319 -5.435
192 HH12 ARG 24 HH12 ARG 24 10.425 -4.530 -6.061
193 HH21 ARG 24 HH21 ARG 24 10.652 -7.985 -5.190
194 HH22 ARG 24 HH22 ARG 24 11.492 -6.681 -5.893
195 H CYS 25 H CYS 25 2.842 -5.006 -1.516
196 HA CYS 25 HA CYS 25 1.985 -2.627 -2.714
197 HB2 CYS 25 HB2 CYS 25 0.774 -4.352 -0.595
198 HB3 CYS 25 HB1 CYS 25 0.054 -2.791 -0.971
199 H GLN 26 H GLN 26 3.282 -3.201 0.489
200 HA GLN 26 HA GLN 26 2.797 -0.727 1.661
201 HB2 GLN 26 HB2 GLN 26 3.653 -2.563 2.946
202 HB3 GLN 26 HB1 GLN 26 5.078 -2.681 1.931
203 HG2 GLN 26 HG2 GLN 26 5.849 -0.527 2.784
204 HG3 GLN 26 HG1 GLN 26 4.434 -0.434 3.828
205 HE21 GLN 26 1HE2 GLN 26 4.293 -1.758 5.594
206 HE22 GLN 26 2HE2 GLN 26 5.642 -2.623 6.217
207 H GLN 27 H GLN 27 5.612 -1.815 -0.163
208 HA GLN 27 HA GLN 27 7.159 0.488 -0.172
209 HB2 GLN 27 HB2 GLN 27 6.880 -1.677 -2.243
210 HB3 GLN 27 HB1 GLN 27 8.142 -0.456 -2.267
211 HG2 GLN 27 HG2 GLN 27 9.128 -1.303 -0.299
212 HG3 GLN 27 HG1 GLN 27 7.718 -2.302 0.053
213 HE21 GLN 27 1HE2 GLN 27 8.968 -4.115 0.156
214 HE22 GLN 27 2HE2 GLN 27 9.617 -4.920 -1.234
215 H GLU 28 H GLU 28 4.983 -0.634 -2.752
216 HA GLU 28 HA GLU 28 5.354 1.688 -4.306
217 HB2 GLU 28 HB2 GLU 28 3.526 0.818 -5.704
218 HB3 GLU 28 HB1 GLU 28 4.753 -0.393 -5.363
219 HG2 GLU 28 HG2 GLU 28 3.310 -1.341 -3.640
220 HG3 GLU 28 HG1 GLU 28 2.072 -0.147 -4.025
221 H CYS 29 H CYS 29 2.970 0.854 -1.866
222 HA CYS 29 HA CYS 29 1.092 2.826 -2.550
223 HB2 CYS 29 HB2 CYS 29 0.745 0.827 -1.003
224 HB3 CYS 29 HB1 CYS 29 1.538 1.784 0.243
225 H GLU 30 H GLU 30 3.678 2.838 -0.073
226 HA GLU 30 HA GLU 30 3.046 5.509 0.628
227 HB2 GLU 30 HB2 GLU 30 5.328 3.736 1.401
228 HB3 GLU 30 HB1 GLU 30 5.183 5.397 1.964
229 HG2 GLU 30 HG2 GLU 30 3.014 4.872 2.950
230 HG3 GLU 30 HG1 GLU 30 3.176 3.205 2.397
231 H GLU 31 H GLU 31 5.176 4.154 -1.710
232 HA GLU 31 HA GLU 31 6.782 6.490 -2.025
233 HB2 GLU 31 HB2 GLU 31 7.507 4.255 -2.801
234 HB3 GLU 31 HB1 GLU 31 6.207 4.259 -3.983
235 HG2 GLU 31 HG2 GLU 31 7.217 6.258 -5.014
236 HG3 GLU 31 HG1 GLU 31 8.565 6.112 -3.888
237 H ARG 32 H ARG 32 3.932 5.182 -3.611
238 HA ARG 32 HA ARG 32 3.526 7.238 -5.499
239 HB2 ARG 32 HB2 ARG 32 2.534 5.053 -5.733
240 HB3 ARG 32 HB1 ARG 32 1.688 5.231 -4.210
241 HG2 ARG 32 HG2 ARG 32 0.331 7.023 -5.207
242 HG3 ARG 32 HG1 ARG 32 1.161 6.755 -6.748
243 HD2 ARG 32 HD2 ARG 32 0.392 4.494 -6.833
244 HD3 ARG 32 HD1 ARG 32 -0.324 4.628 -5.228
245 HE ARG 32 HE ARG 32 -1.356 6.545 -7.042
246 HH11 ARG 32 HH11 ARG 32 -1.587 3.109 -6.136
247 HH12 ARG 32 HH12 ARG 32 -3.208 2.951 -6.618
248 HH21 ARG 32 HH21 ARG 32 -3.592 6.302 -7.711
249 HH22 ARG 32 HH22 ARG 32 -4.377 4.803 -7.543
250 H LEU 33 H LEU 33 2.440 6.695 -2.220
251 HA LEU 33 HA LEU 33 0.632 8.855 -2.058
252 HB2 LEU 33 HB2 LEU 33 0.634 6.889 -0.578
253 HB3 LEU 33 HB1 LEU 33 2.148 7.430 0.110
254 HG LEU 33 HG LEU 33 0.987 9.462 0.934
255 HD11 LEU 33 HD11 LEU 33 -1.449 9.459 1.023
256 HD12 LEU 33 HD12 LEU 33 -1.488 8.018 0.007
257 HD13 LEU 33 HD13 LEU 33 -0.857 9.537 -0.633
258 HD21 LEU 33 HD21 LEU 33 -0.107 6.806 1.838
259 HD22 LEU 33 HD22 LEU 33 -0.163 8.313 2.752
260 HD23 LEU 33 HD23 LEU 33 1.392 7.563 2.385
261 H ARG 34 H ARG 34 4.079 8.524 -1.495
262 HA ARG 34 HA ARG 34 4.431 10.989 -0.138
263 HB2 ARG 34 HB2 ARG 34 6.069 9.133 0.011
264 HB3 ARG 34 HB1 ARG 34 6.457 9.367 -1.683
265 HG2 ARG 34 HG2 ARG 34 7.254 11.632 -1.183
266 HG3 ARG 34 HG1 ARG 34 6.912 11.365 0.527
267 HD2 ARG 34 HD2 ARG 34 9.270 10.990 0.054
268 HD3 ARG 34 HD1 ARG 34 8.481 9.487 0.536
269 HE ARG 34 HE ARG 34 8.681 10.047 -2.301
270 HH11 ARG 34 HH11 ARG 34 10.017 8.270 0.465
271 HH12 ARG 34 HH12 ARG 34 10.784 7.089 -0.497
272 HH21 ARG 34 HH21 ARG 34 9.747 8.442 -3.592
273 HH22 ARG 34 HH22 ARG 34 10.654 7.194 -2.877
274 H ASP 35 H ASP 35 3.865 12.758 -1.053
275 HA ASP 35 HA ASP 35 4.989 13.468 -3.633
276 HB2 ASP 35 HB2 ASP 35 2.669 12.870 -4.119
277 HB3 ASP 35 HB1 ASP 35 2.119 13.865 -2.775
Start of MODEL 16
1 H PCA 1 H PGL 1 -6.307 12.060 2.547
2 HA PCA 1 HA PGL 1 -4.896 10.052 3.008
3 HB2 PCA 1 HB1 PGL 1 -4.847 9.789 5.290
4 HB3 PCA 1 HB2 PGL 1 -6.337 8.823 5.095
5 HG2 PCA 1 HG1 PGL 1 -6.049 11.476 6.267
6 HG3 PCA 1 HG2 PGL 1 -7.533 10.472 6.108
7 H LYS 2 H LYS 2 -7.736 10.621 1.819
8 HA LYS 2 HA LYS 2 -9.154 8.177 1.994
9 HB2 LYS 2 HB2 LYS 2 -9.405 10.438 0.010
10 HB3 LYS 2 HB1 LYS 2 -10.560 9.134 0.229
11 HG2 LYS 2 HG2 LYS 2 -9.826 11.195 2.298
12 HG3 LYS 2 HG1 LYS 2 -11.306 11.164 1.335
13 HD2 LYS 2 HD2 LYS 2 -11.923 9.025 2.339
14 HD3 LYS 2 HD1 LYS 2 -10.432 9.024 3.273
15 HE2 LYS 2 HE2 LYS 2 -11.123 11.038 4.433
16 HE3 LYS 2 HE1 LYS 2 -12.599 11.094 3.473
17 HZ1 LYS 2 HZ1 LYS 2 -11.860 8.896 5.328
18 HZ2 LYS 2 HZ2 LYS 2 -13.274 8.997 4.444
19 HZ3 LYS 2 HZ3 LYS 2 -12.978 10.111 5.669
20 H GLU 3 H GLU 3 -6.866 9.491 -0.285
21 HA GLU 3 HA GLU 3 -7.223 7.328 -2.104
22 HB2 GLU 3 HB2 GLU 3 -5.198 8.230 -3.249
23 HB3 GLU 3 HB1 GLU 3 -6.471 9.412 -3.002
24 HG2 GLU 3 HG2 GLU 3 -5.209 10.199 -0.979
25 HG3 GLU 3 HG1 GLU 3 -3.891 9.148 -1.490
26 H THR 4 H THR 4 -5.316 7.863 0.610
27 HA THR 4 HA THR 4 -3.448 5.733 0.290
28 HB THR 4 HB THR 4 -4.363 6.870 2.896
29 HG1 THR 4 HG1 THR 4 -2.780 8.583 2.404
30 HG21 THR 4 HG21 THR 4 -2.629 5.121 2.917
31 HG22 THR 4 HG22 THR 4 -1.957 6.663 3.447
32 HG23 THR 4 HG23 THR 4 -1.643 6.080 1.813
33 H GLU 5 H GLU 5 -6.593 6.198 1.725
34 HA GLU 5 HA GLU 5 -6.967 3.782 3.081
35 HB2 GLU 5 HB2 GLU 5 -8.331 5.825 3.340
36 HB3 GLU 5 HB1 GLU 5 -8.928 5.635 1.709
37 HG2 GLU 5 HG2 GLU 5 -10.591 4.983 3.325
38 HG3 GLU 5 HG1 GLU 5 -10.073 3.601 2.368
39 H ILE 6 H ILE 6 -7.853 4.785 -0.216
40 HA ILE 6 HA ILE 6 -8.871 2.339 -1.194
41 HB ILE 6 HB ILE 6 -7.316 4.408 -2.756
42 HG12 ILE 6 HG12 ILE 6 -10.299 4.236 -2.362
43 HG13 ILE 6 HG11 ILE 6 -9.246 5.363 -1.504
44 HG21 ILE 6 HG21 ILE 6 -7.606 2.309 -3.959
45 HG22 ILE 6 HG22 ILE 6 -8.592 3.583 -4.683
46 HG23 ILE 6 HG23 ILE 6 -9.345 2.363 -3.660
47 HD11 ILE 6 HD11 ILE 6 -8.572 6.341 -3.556
48 HD12 ILE 6 HD12 ILE 6 -10.350 6.397 -3.431
49 HD13 ILE 6 HD13 ILE 6 -9.554 5.210 -4.475
50 H CYS 7 H CYS 7 -5.691 3.763 -1.408
51 HA CYS 7 HA CYS 7 -4.229 1.878 -2.731
52 HB2 CYS 7 HB2 CYS 7 -3.325 4.036 -1.992
53 HB3 CYS 7 HB1 CYS 7 -3.319 3.477 -0.331
54 H ARG 8 H ARG 8 -4.883 1.769 0.805
55 HA ARG 8 HA ARG 8 -3.610 -0.763 1.044
56 HB2 ARG 8 HB2 ARG 8 -3.733 0.456 3.084
57 HB3 ARG 8 HB1 ARG 8 -5.464 0.707 2.917
58 HG2 ARG 8 HG2 ARG 8 -4.939 -0.949 4.665
59 HG3 ARG 8 HG1 ARG 8 -5.893 -1.646 3.362
60 HD2 ARG 8 HD2 ARG 8 -3.699 -2.493 2.392
61 HD3 ARG 8 HD1 ARG 8 -2.944 -2.030 3.916
62 HE ARG 8 HE ARG 8 -5.071 -3.558 4.651
63 HH11 ARG 8 HH11 ARG 8 -2.255 -4.089 2.612
64 HH12 ARG 8 HH12 ARG 8 -2.212 -5.772 2.820
65 HH21 ARG 8 HH21 ARG 8 -5.034 -5.874 4.990
66 HH22 ARG 8 HH22 ARG 8 -3.874 -6.835 4.228
67 H GLN 9 H GLN 9 -6.990 0.176 0.658
68 HA GLN 9 HA GLN 9 -8.128 -2.331 1.022
69 HB2 GLN 9 HB2 GLN 9 -9.403 -0.219 0.914
70 HB3 GLN 9 HB1 GLN 9 -9.089 -0.130 -0.808
71 HG2 GLN 9 HG2 GLN 9 -10.412 -2.087 -1.220
72 HG3 GLN 9 HG1 GLN 9 -10.606 -2.372 0.507
73 HE21 GLN 9 1HE2 GLN 9 -12.821 -2.296 0.318
74 HE22 GLN 9 2HE2 GLN 9 -13.694 -0.827 0.118
75 H TRP 10 H TRP 10 -6.660 -0.971 -1.851
76 HA TRP 10 HA TRP 10 -7.368 -2.961 -3.722
77 HB2 TRP 10 HB2 TRP 10 -6.308 -0.759 -4.262
78 HB3 TRP 10 HB1 TRP 10 -4.800 -1.370 -3.602
79 HD1 TRP 10 HD TRP 10 -7.155 -1.854 -6.604
80 HE1 TRP 10 HE1 TRP 10 -5.827 -2.943 -8.507
81 HE3 TRP 10 3HE TRP 10 -2.859 -2.816 -4.107
82 HZ2 TRP 10 HZ2 TRP 10 -3.267 -4.074 -8.903
83 HZ3 TRP 10 HZ3 TRP 10 -0.988 -3.910 -5.308
84 HH2 TRP 10 HH TRP 10 -1.200 -4.524 -7.653
85 H CYS 11 H CYS 11 -4.406 -2.673 -1.796
86 HA CYS 11 HA CYS 11 -3.434 -5.221 -2.515
87 HB2 CYS 11 HB2 CYS 11 -2.690 -3.270 -0.371
88 HB3 CYS 11 HB1 CYS 11 -1.907 -4.841 -0.498
89 H GLN 12 H GLN 12 -5.440 -4.118 0.089
90 HA GLN 12 HA GLN 12 -5.262 -6.196 1.898
91 HB2 GLN 12 HB2 GLN 12 -6.428 -4.082 2.282
92 HB3 GLN 12 HB1 GLN 12 -7.667 -4.551 1.131
93 HG2 GLN 12 HG2 GLN 12 -8.327 -6.387 2.575
94 HG3 GLN 12 HG1 GLN 12 -7.066 -5.942 3.725
95 HE21 GLN 12 1HE2 GLN 12 -8.482 -5.535 5.353
96 HE22 GLN 12 2HE2 GLN 12 -9.538 -4.170 5.381
97 H VAL 13 H VAL 13 -7.434 -5.774 -0.857
98 HA VAL 13 HA VAL 13 -8.727 -8.298 -0.449
99 HB VAL 13 HB VAL 13 -8.982 -6.308 -2.716
100 HG11 VAL 13 HG11 VAL 13 -10.765 -8.651 -2.031
101 HG12 VAL 13 HG12 VAL 13 -9.706 -8.536 -3.435
102 HG13 VAL 13 3HG1 VAL 13 -11.079 -7.440 -3.275
103 HG21 VAL 13 HG21 VAL 13 -10.643 -6.766 -0.245
104 HG22 VAL 13 HG22 VAL 13 -11.093 -5.714 -1.578
105 HG23 VAL 13 HG23 VAL 13 -9.657 -5.351 -0.618
106 H MET 14 H MET 14 -6.303 -7.062 -2.706
107 HA MET 14 HA MET 14 -6.440 -9.523 -4.209
108 HB2 MET 14 HB2 MET 14 -4.752 -7.078 -4.625
109 HB3 MET 14 HB1 MET 14 -4.559 -8.539 -5.581
110 HG2 MET 14 HG2 MET 14 -6.932 -8.355 -6.257
111 HG3 MET 14 HG1 MET 14 -7.023 -6.825 -5.388
112 HE1 MET 14 HE1 MET 14 -7.072 -5.816 -9.201
113 HE2 MET 14 HE2 MET 14 -7.954 -5.762 -7.677
114 HE3 MET 14 3HE MET 14 -7.740 -7.296 -8.517
115 H LYS 15 H LYS 15 -4.393 -8.335 -1.679
116 HA LYS 15 HA LYS 15 -2.540 -10.538 -2.224
117 HB2 LYS 15 HB2 LYS 15 -2.147 -7.904 -0.814
118 HB3 LYS 15 HB1 LYS 15 -1.071 -9.249 -0.512
119 HG2 LYS 15 HG2 LYS 15 -0.075 -7.733 -2.099
120 HG3 LYS 15 HG1 LYS 15 -0.448 -9.252 -2.908
121 HD2 LYS 15 HD2 LYS 15 -2.429 -8.181 -3.896
122 HD3 LYS 15 HD1 LYS 15 -2.015 -6.682 -3.059
123 HE2 LYS 15 HE2 LYS 15 -1.225 -6.587 -5.359
124 HE3 LYS 15 HE1 LYS 15 0.128 -6.609 -4.239
125 HZ1 LYS 15 HZ1 LYS 15 0.514 -8.065 -6.117
126 HZ2 LYS 15 HZ2 LYS 15 -0.876 -8.936 -5.792
127 HZ3 LYS 15 HZ3 LYS 15 0.424 -9.002 -4.716
128 HA PRO 16 HA PRO 16 -4.776 -12.350 1.265
129 HB2 PRO 16 HB2 PRO 16 -2.907 -14.567 0.762
130 HB3 PRO 16 HB1 PRO 16 -4.672 -14.567 0.771
131 HG2 PRO 16 HG2 PRO 16 -3.299 -14.793 -1.494
132 HG3 PRO 16 HG1 PRO 16 -4.818 -13.891 -1.419
133 HD2 PRO 16 HD2 PRO 16 -2.008 -12.861 -1.469
134 HD3 PRO 16 HD1 PRO 16 -3.463 -12.259 -2.296
135 H GLN 17 H GLN 17 -4.301 -11.759 3.208
136 HA GLN 17 HA GLN 17 -3.406 -11.566 5.229
137 HB2 GLN 17 HB2 GLN 17 -1.419 -13.634 4.291
138 HB3 GLN 17 HB1 GLN 17 -1.546 -13.070 5.952
139 HG2 GLN 17 HG2 GLN 17 -3.717 -14.457 4.393
140 HG3 GLN 17 HG1 GLN 17 -2.697 -15.199 5.624
141 HE21 GLN 17 1HE2 GLN 17 -5.585 -14.840 5.478
142 HE22 GLN 17 2HE2 GLN 17 -6.073 -13.987 6.889
143 H GLY 18 H GLY 18 -0.520 -11.854 3.204
144 HA2 GLY 18 HA2 GLY 18 0.215 -9.351 2.899
145 HA3 GLY 18 HA1 GLY 18 0.615 -9.572 4.601
146 H GLY 19 H GLY 19 2.675 -10.067 4.937
147 HA2 GLY 19 HA2 GLY 19 4.701 -11.133 4.692
148 HA3 GLY 19 HA1 GLY 19 4.048 -12.004 3.304
149 H GLU 20 H GLU 20 5.763 -11.623 1.958
150 HA GLU 20 HA GLU 20 7.032 -9.204 1.460
151 HB2 GLU 20 HB2 GLU 20 7.620 -10.179 -0.765
152 HB3 GLU 20 HB1 GLU 20 7.962 -11.231 0.600
153 HG2 GLU 20 HG2 GLU 20 5.994 -12.544 0.137
154 HG3 GLU 20 HG1 GLU 20 5.526 -11.437 -1.152
155 H GLU 21 H GLU 21 4.015 -10.403 0.267
156 HA GLU 21 HA GLU 21 3.507 -8.580 -1.796
157 HB2 GLU 21 HB2 GLU 21 1.657 -10.051 0.070
158 HB3 GLU 21 HB1 GLU 21 1.101 -9.119 -1.308
159 HG2 GLU 21 HG2 GLU 21 2.922 -11.511 -1.422
160 HG3 GLU 21 HG1 GLU 21 1.200 -11.501 -1.802
161 H GLN 22 H GLN 22 2.978 -8.420 1.665
162 HA GLN 22 HA GLN 22 1.516 -5.948 1.581
163 HB2 GLN 22 HB2 GLN 22 1.142 -7.663 3.302
164 HB3 GLN 22 HB1 GLN 22 2.779 -7.430 3.883
165 HG2 GLN 22 HG2 GLN 22 2.196 -5.135 4.511
166 HG3 GLN 22 HG1 GLN 22 0.545 -5.420 3.954
167 HE21 GLN 22 1HE2 GLN 22 -0.788 -6.772 5.144
168 HE22 GLN 22 2HE2 GLN 22 -0.411 -7.266 6.748
169 H ARG 23 H ARG 23 4.790 -7.018 2.176
170 HA ARG 23 HA ARG 23 5.938 -4.599 3.058
171 HB2 ARG 23 HB2 ARG 23 7.201 -6.789 1.395
172 HB3 ARG 23 HB1 ARG 23 8.087 -5.523 2.222
173 HG2 ARG 23 HG2 ARG 23 7.299 -6.392 4.370
174 HG3 ARG 23 HG1 ARG 23 6.430 -7.675 3.521
175 HD2 ARG 23 HD2 ARG 23 8.590 -8.413 2.551
176 HD3 ARG 23 HD1 ARG 23 9.398 -7.187 3.520
177 HE ARG 23 HE ARG 23 8.073 -8.541 5.382
178 HH11 ARG 23 HH11 ARG 23 10.152 -9.661 2.739
179 HH12 ARG 23 HH12 ARG 23 10.650 -11.072 3.568
180 HH21 ARG 23 HH21 ARG 23 8.789 -10.500 6.503
181 HH22 ARG 23 HH22 ARG 23 9.878 -11.544 5.707
182 H ARG 24 H ARG 24 5.740 -6.026 -0.191
183 HA ARG 24 HA ARG 24 6.782 -3.866 -1.613
184 HB2 ARG 24 HB2 ARG 24 6.510 -6.014 -2.700
185 HB3 ARG 24 HB1 ARG 24 4.766 -5.957 -2.464
186 HG2 ARG 24 HG2 ARG 24 4.658 -3.980 -3.913
187 HG3 ARG 24 HG1 ARG 24 6.389 -4.107 -4.190
188 HD2 ARG 24 HD2 ARG 24 6.102 -6.215 -5.303
189 HD3 ARG 24 HD1 ARG 24 4.389 -6.249 -4.862
190 HE ARG 24 HE ARG 24 4.430 -3.998 -6.119
191 HH11 ARG 24 HH11 ARG 24 5.879 -7.073 -7.156
192 HH12 ARG 24 HH12 ARG 24 5.899 -6.670 -8.811
193 HH21 ARG 24 HH21 ARG 24 4.451 -3.441 -8.376
194 HH22 ARG 24 HH22 ARG 24 5.059 -4.542 -9.527
195 H CYS 25 H CYS 25 3.436 -4.654 -0.763
196 HA CYS 25 HA CYS 25 2.294 -2.485 -2.034
197 HB2 CYS 25 HB2 CYS 25 1.354 -4.223 0.189
198 HB3 CYS 25 HB1 CYS 25 0.428 -2.801 -0.290
199 H GLN 26 H GLN 26 3.605 -2.636 1.261
200 HA GLN 26 HA GLN 26 2.729 -0.074 2.001
201 HB2 GLN 26 HB2 GLN 26 3.738 -1.668 3.621
202 HB3 GLN 26 HB1 GLN 26 5.295 -1.453 2.829
203 HG2 GLN 26 HG2 GLN 26 5.201 0.950 3.359
204 HG3 GLN 26 HG1 GLN 26 3.704 0.665 4.239
205 HE21 GLN 26 1HE2 GLN 26 6.235 1.729 5.158
206 HE22 GLN 26 2HE2 GLN 26 6.729 0.688 6.449
207 H GLN 27 H GLN 27 5.701 -1.212 0.519
208 HA GLN 27 HA GLN 27 7.079 1.179 0.233
209 HB2 GLN 27 HB2 GLN 27 8.012 -1.069 -0.162
210 HB3 GLN 27 HB1 GLN 27 7.055 -1.193 -1.628
211 HG2 GLN 27 HG2 GLN 27 8.269 0.691 -2.580
212 HG3 GLN 27 HG1 GLN 27 9.240 0.807 -1.114
213 HE21 GLN 27 1HE2 GLN 27 10.702 -0.851 -0.644
214 HE22 GLN 27 2HE2 GLN 27 11.252 -1.934 -1.868
215 H GLU 28 H GLU 28 4.937 -0.405 -2.121
216 HA GLU 28 HA GLU 28 5.116 1.720 -3.972
217 HB2 GLU 28 HB2 GLU 28 3.024 -0.422 -3.738
218 HB3 GLU 28 HB1 GLU 28 3.203 0.661 -5.110
219 HG2 GLU 28 HG2 GLU 28 5.531 -0.259 -5.372
220 HG3 GLU 28 HG1 GLU 28 5.089 -1.475 -4.175
221 H CYS 29 H CYS 29 3.023 1.157 -1.251
222 HA CYS 29 HA CYS 29 1.042 3.047 -2.002
223 HB2 CYS 29 HB2 CYS 29 0.986 1.111 -0.206
224 HB3 CYS 29 HB1 CYS 29 1.614 2.355 0.865
225 H GLU 30 H GLU 30 3.923 3.132 0.078
226 HA GLU 30 HA GLU 30 3.672 5.857 0.819
227 HB2 GLU 30 HB2 GLU 30 6.160 4.135 0.696
228 HB3 GLU 30 HB1 GLU 30 6.011 5.659 1.558
229 HG2 GLU 30 HG2 GLU 30 4.352 4.658 3.042
230 HG3 GLU 30 HG1 GLU 30 4.483 3.138 2.163
231 H GLU 31 H GLU 31 5.159 4.164 -1.833
232 HA GLU 31 HA GLU 31 6.590 6.293 -3.014
233 HB2 GLU 31 HB2 GLU 31 6.754 3.811 -3.517
234 HB3 GLU 31 HB1 GLU 31 5.260 3.978 -4.420
235 HG2 GLU 31 HG2 GLU 31 7.058 4.021 -5.964
236 HG3 GLU 31 HG1 GLU 31 6.406 5.659 -5.853
237 H ARG 32 H ARG 32 3.292 5.130 -3.300
238 HA ARG 32 HA ARG 32 2.603 6.931 -5.415
239 HB2 ARG 32 HB2 ARG 32 1.569 4.694 -5.208
240 HB3 ARG 32 HB1 ARG 32 0.833 5.188 -3.701
241 HG2 ARG 32 HG2 ARG 32 -0.789 5.225 -5.510
242 HG3 ARG 32 HG1 ARG 32 -0.489 6.832 -4.857
243 HD2 ARG 32 HD2 ARG 32 0.912 5.829 -7.328
244 HD3 ARG 32 HD1 ARG 32 -0.653 6.636 -7.410
245 HE ARG 32 HE ARG 32 0.889 8.333 -5.959
246 HH11 ARG 32 HH11 ARG 32 1.223 6.926 -9.203
247 HH12 ARG 32 HH12 ARG 32 2.146 8.228 -9.805
248 HH21 ARG 32 HH21 ARG 32 2.180 10.098 -6.811
249 HH22 ARG 32 HH22 ARG 32 2.706 10.031 -8.430
250 H LEU 33 H LEU 33 2.182 6.830 -1.948
251 HA LEU 33 HA LEU 33 0.581 9.176 -1.806
252 HB2 LEU 33 HB2 LEU 33 0.667 7.461 -0.025
253 HB3 LEU 33 HB1 LEU 33 2.335 7.883 0.289
254 HG LEU 33 HG LEU 33 1.617 10.126 1.029
255 HD11 LEU 33 HD11 LEU 33 -0.412 10.341 -0.289
256 HD12 LEU 33 HD12 LEU 33 -0.758 10.557 1.427
257 HD13 LEU 33 HD13 LEU 33 -1.164 9.038 0.630
258 HD21 LEU 33 HD21 LEU 33 0.583 9.412 3.120
259 HD22 LEU 33 HD22 LEU 33 1.898 8.336 2.653
260 HD23 LEU 33 HD23 LEU 33 0.224 7.838 2.411
261 H ARG 34 H ARG 34 3.963 8.436 -1.809
262 HA ARG 34 HA ARG 34 5.832 9.568 -2.208
263 HB2 ARG 34 HB2 ARG 34 4.578 10.795 -3.961
264 HB3 ARG 34 HB1 ARG 34 4.088 11.978 -2.759
265 HG2 ARG 34 HG2 ARG 34 6.633 12.283 -2.376
266 HG3 ARG 34 HG1 ARG 34 6.787 11.513 -3.958
267 HD2 ARG 34 HD2 ARG 34 6.737 13.901 -4.248
268 HD3 ARG 34 HD1 ARG 34 5.234 13.212 -4.870
269 HE ARG 34 HE ARG 34 5.033 14.005 -2.133
270 HH11 ARG 34 HH11 ARG 34 4.739 15.238 -5.446
271 HH12 ARG 34 HH12 ARG 34 3.826 16.591 -4.997
272 HH21 ARG 34 HH21 ARG 34 3.766 15.783 -1.530
273 HH22 ARG 34 HH22 ARG 34 3.228 16.904 -2.702
274 H ASP 35 H ASP 35 3.892 12.103 -0.848
275 HA ASP 35 HA ASP 35 4.934 12.201 1.728
276 HB2 ASP 35 HB2 ASP 35 7.087 12.841 0.786
277 HB3 ASP 35 HB1 ASP 35 6.318 14.039 -0.248
Start of MODEL 17
1 H PCA 1 H PGL 1 -7.494 11.651 3.738
2 HA PCA 1 HA PGL 1 -5.341 10.416 3.574
3 HB2 PCA 1 HB1 PGL 1 -4.700 9.712 5.646
4 HB3 PCA 1 HB2 PGL 1 -5.810 8.328 5.431
5 HG2 PCA 1 HG1 PGL 1 -6.129 10.635 7.173
6 HG3 PCA 1 HG2 PGL 1 -7.217 9.217 6.979
7 H LYS 2 H LYS 2 -8.341 10.010 2.820
8 HA LYS 2 HA LYS 2 -8.542 7.240 2.598
9 HB2 LYS 2 HB2 LYS 2 -10.281 9.429 1.576
10 HB3 LYS 2 HB1 LYS 2 -10.567 7.749 1.137
11 HG2 LYS 2 HG2 LYS 2 -10.628 7.189 3.553
12 HG3 LYS 2 HG1 LYS 2 -10.510 8.911 3.908
13 HD2 LYS 2 HD2 LYS 2 -12.601 9.314 2.771
14 HD3 LYS 2 HD1 LYS 2 -12.700 7.616 2.294
15 HE2 LYS 2 HE2 LYS 2 -12.698 8.646 5.133
16 HE3 LYS 2 HE1 LYS 2 -14.115 8.109 4.235
17 HZ1 LYS 2 HZ1 LYS 2 -11.784 6.351 4.886
18 HZ2 LYS 2 HZ2 LYS 2 -13.212 5.895 4.143
19 HZ3 LYS 2 HZ3 LYS 2 -13.239 6.395 5.731
20 H GLU 3 H GLU 3 -6.959 9.438 0.625
21 HA GLU 3 HA GLU 3 -7.156 7.933 -1.782
22 HB2 GLU 3 HB2 GLU 3 -4.919 9.747 -0.893
23 HB3 GLU 3 HB1 GLU 3 -5.126 9.119 -2.515
24 HG2 GLU 3 HG2 GLU 3 -7.327 10.308 -2.584
25 HG3 GLU 3 HG1 GLU 3 -6.859 11.077 -1.065
26 H THR 4 H THR 4 -5.050 7.926 0.883
27 HA THR 4 HA THR 4 -3.327 5.853 -0.066
28 HB THR 4 HB THR 4 -3.732 6.686 2.791
29 HG1 THR 4 HG1 THR 4 -1.710 8.023 1.921
30 HG21 THR 4 HG21 THR 4 -1.335 6.107 2.977
31 HG22 THR 4 HG22 THR 4 -1.327 5.666 1.269
32 HG23 THR 4 HG23 THR 4 -2.298 4.740 2.414
33 H GLU 5 H GLU 5 -6.196 6.107 1.892
34 HA GLU 5 HA GLU 5 -6.435 3.539 2.925
35 HB2 GLU 5 HB2 GLU 5 -7.870 5.460 3.535
36 HB3 GLU 5 HB1 GLU 5 -8.631 5.354 1.952
37 HG2 GLU 5 HG2 GLU 5 -9.464 3.132 2.518
38 HG3 GLU 5 HG1 GLU 5 -8.749 3.279 4.121
39 H ILE 6 H ILE 6 -7.804 4.845 -0.111
40 HA ILE 6 HA ILE 6 -8.905 2.482 -1.170
41 HB ILE 6 HB ILE 6 -7.568 4.708 -2.735
42 HG12 ILE 6 HG12 ILE 6 -10.495 4.457 -2.048
43 HG13 ILE 6 HG11 ILE 6 -9.366 5.472 -1.149
44 HG21 ILE 6 HG21 ILE 6 -9.058 4.035 -4.565
45 HG22 ILE 6 HG22 ILE 6 -9.674 2.715 -3.574
46 HG23 ILE 6 HG23 ILE 6 -7.984 2.721 -4.081
47 HD11 ILE 6 HD11 ILE 6 -8.873 6.699 -3.160
48 HD12 ILE 6 HD12 ILE 6 -10.600 6.790 -2.766
49 HD13 ILE 6 HD13 ILE 6 -10.028 5.728 -4.068
50 H CYS 7 H CYS 7 -5.806 3.955 -1.651
51 HA CYS 7 HA CYS 7 -4.492 2.205 -3.300
52 HB2 CYS 7 HB2 CYS 7 -3.499 4.292 -2.666
53 HB3 CYS 7 HB1 CYS 7 -3.448 3.814 -0.977
54 H ARG 8 H ARG 8 -4.457 1.995 0.295
55 HA ARG 8 HA ARG 8 -3.128 -0.520 0.214
56 HB2 ARG 8 HB2 ARG 8 -2.888 1.016 2.152
57 HB3 ARG 8 HB1 ARG 8 -4.573 0.768 2.560
58 HG2 ARG 8 HG2 ARG 8 -2.648 -1.552 2.477
59 HG3 ARG 8 HG1 ARG 8 -2.746 -0.514 3.891
60 HD2 ARG 8 HD2 ARG 8 -5.012 -1.144 4.298
61 HD3 ARG 8 HD1 ARG 8 -5.157 -1.902 2.716
62 HE ARG 8 HE ARG 8 -3.362 -3.463 3.626
63 HH11 ARG 8 HH11 ARG 8 -5.916 -2.071 5.698
64 HH12 ARG 8 HH12 ARG 8 -5.995 -3.421 6.724
65 HH21 ARG 8 HH21 ARG 8 -3.501 -5.284 5.074
66 HH22 ARG 8 HH22 ARG 8 -4.601 -5.296 6.369
67 H GLN 9 H GLN 9 -6.490 0.454 0.488
68 HA GLN 9 HA GLN 9 -7.663 -1.963 1.203
69 HB2 GLN 9 HB2 GLN 9 -8.864 0.194 1.046
70 HB3 GLN 9 HB1 GLN 9 -8.742 0.124 -0.704
71 HG2 GLN 9 HG2 GLN 9 -10.941 -0.538 -0.053
72 HG3 GLN 9 HG1 GLN 9 -10.083 -1.949 -0.669
73 HE21 GLN 9 1HE2 GLN 9 -11.389 -3.380 0.420
74 HE22 GLN 9 2HE2 GLN 9 -11.334 -3.573 2.136
75 H TRP 10 H TRP 10 -6.713 -0.748 -1.951
76 HA TRP 10 HA TRP 10 -7.739 -2.831 -3.538
77 HB2 TRP 10 HB2 TRP 10 -6.899 -0.631 -4.383
78 HB3 TRP 10 HB1 TRP 10 -5.262 -1.175 -4.047
79 HD1 TRP 10 HD TRP 10 -8.193 -1.809 -6.423
80 HE1 TRP 10 HE1 TRP 10 -7.310 -3.012 -8.506
81 HE3 TRP 10 3HE TRP 10 -3.430 -2.685 -4.881
82 HZ2 TRP 10 HZ2 TRP 10 -4.904 -4.185 -9.395
83 HZ3 TRP 10 HZ3 TRP 10 -1.876 -3.857 -6.410
84 HH2 TRP 10 HH TRP 10 -2.613 -4.591 -8.620
85 H CYS 11 H CYS 11 -4.568 -2.412 -2.020
86 HA CYS 11 HA CYS 11 -3.631 -4.914 -2.955
87 HB2 CYS 11 HB2 CYS 11 -2.553 -2.983 -0.933
88 HB3 CYS 11 HB1 CYS 11 -1.779 -4.534 -1.248
89 H GLN 12 H GLN 12 -5.283 -3.915 -0.063
90 HA GLN 12 HA GLN 12 -4.842 -6.215 1.467
91 HB2 GLN 12 HB2 GLN 12 -5.815 -4.131 2.345
92 HB3 GLN 12 HB1 GLN 12 -7.272 -4.420 1.406
93 HG2 GLN 12 HG2 GLN 12 -7.660 -6.481 2.685
94 HG3 GLN 12 HG1 GLN 12 -6.223 -6.129 3.643
95 HE21 GLN 12 1HE2 GLN 12 -7.388 -6.021 5.513
96 HE22 GLN 12 2HE2 GLN 12 -8.418 -4.684 5.902
97 H VAL 13 H VAL 13 -7.066 -5.472 -1.101
98 HA VAL 13 HA VAL 13 -8.522 -7.955 -0.812
99 HB VAL 13 HB VAL 13 -8.720 -5.827 -2.971
100 HG11 VAL 13 HG11 VAL 13 -9.474 -7.997 -3.794
101 HG12 VAL 13 HG12 VAL 13 -10.839 -6.899 -3.584
102 HG13 VAL 13 3HG1 VAL 13 -10.538 -8.170 -2.398
103 HG21 VAL 13 HG21 VAL 13 -9.398 -5.005 -0.780
104 HG22 VAL 13 HG22 VAL 13 -10.480 -6.384 -0.583
105 HG23 VAL 13 HG23 VAL 13 -10.801 -5.184 -1.834
106 H MET 14 H MET 14 -6.258 -6.537 -3.124
107 HA MET 14 HA MET 14 -6.284 -8.821 -4.830
108 HB2 MET 14 HB2 MET 14 -4.439 -6.446 -4.773
109 HB3 MET 14 HB1 MET 14 -4.374 -7.707 -5.991
110 HG2 MET 14 HG2 MET 14 -6.725 -5.909 -5.447
111 HG3 MET 14 HG1 MET 14 -5.573 -5.722 -6.764
112 HE1 MET 14 HE1 MET 14 -8.729 -5.800 -7.162
113 HE2 MET 14 HE2 MET 14 -8.852 -6.826 -8.591
114 HE3 MET 14 3HE MET 14 -7.578 -5.611 -8.486
115 H LYS 15 H LYS 15 -4.079 -7.756 -2.258
116 HA LYS 15 HA LYS 15 -2.657 -10.312 -2.504
117 HB2 LYS 15 HB2 LYS 15 -1.385 -7.607 -1.966
118 HB3 LYS 15 HB1 LYS 15 -0.545 -9.146 -1.986
119 HG2 LYS 15 HG2 LYS 15 -0.905 -9.373 -4.355
120 HG3 LYS 15 HG1 LYS 15 -1.925 -7.934 -4.377
121 HD2 LYS 15 HD2 LYS 15 -0.025 -6.569 -3.683
122 HD3 LYS 15 HD1 LYS 15 1.019 -7.976 -3.655
123 HE2 LYS 15 HE2 LYS 15 -0.413 -6.887 -6.072
124 HE3 LYS 15 HE1 LYS 15 1.283 -6.618 -5.692
125 HZ1 LYS 15 HZ1 LYS 15 1.654 -9.034 -5.932
126 HZ2 LYS 15 HZ2 LYS 15 1.024 -8.344 -7.324
127 HZ3 LYS 15 HZ3 LYS 15 0.029 -9.254 -6.334
128 HA PRO 16 HA PRO 16 -4.039 -9.396 1.826
129 HB2 PRO 16 HB2 PRO 16 -5.557 -11.802 1.924
130 HB3 PRO 16 HB1 PRO 16 -6.171 -10.152 1.806
131 HG2 PRO 16 HG2 PRO 16 -6.421 -12.048 -0.195
132 HG3 PRO 16 HG1 PRO 16 -6.482 -10.298 -0.446
133 HD2 PRO 16 HD2 PRO 16 -4.175 -12.172 -0.828
134 HD3 PRO 16 HD1 PRO 16 -4.722 -10.826 -1.859
135 H GLN 17 H GLN 17 -2.489 -9.874 3.245
136 HA GLN 17 HA GLN 17 -1.093 -10.924 4.619
137 HB2 GLN 17 HB2 GLN 17 -2.715 -13.382 3.925
138 HB3 GLN 17 HB1 GLN 17 -1.559 -13.283 5.242
139 HG2 GLN 17 HG2 GLN 17 -4.062 -11.614 5.006
140 HG3 GLN 17 HG1 GLN 17 -3.903 -13.079 5.969
141 HE21 GLN 17 1HE2 GLN 17 -3.108 -9.726 5.723
142 HE22 GLN 17 2HE2 GLN 17 -2.500 -9.541 7.322
143 H GLY 18 H GLY 18 0.343 -13.040 4.699
144 HA2 GLY 18 HA2 GLY 18 1.541 -14.661 3.305
145 HA3 GLY 18 HA1 GLY 18 1.479 -13.466 2.012
146 H GLY 19 H GLY 19 2.965 -11.891 1.923
147 HA2 GLY 19 HA2 GLY 19 4.466 -10.938 4.058
148 HA3 GLY 19 HA1 GLY 19 5.376 -12.237 3.301
149 H GLU 20 H GLU 20 6.077 -12.010 1.199
150 HA GLU 20 HA GLU 20 7.294 -9.589 0.687
151 HB2 GLU 20 HB2 GLU 20 6.835 -11.924 -1.130
152 HB3 GLU 20 HB1 GLU 20 7.889 -10.569 -1.517
153 HG2 GLU 20 HG2 GLU 20 8.192 -12.401 0.850
154 HG3 GLU 20 HG1 GLU 20 9.137 -12.462 -0.639
155 H GLU 21 H GLU 21 4.406 -10.860 -0.918
156 HA GLU 21 HA GLU 21 4.292 -8.737 -2.789
157 HB2 GLU 21 HB2 GLU 21 2.248 -10.728 -1.872
158 HB3 GLU 21 HB1 GLU 21 1.903 -9.546 -3.119
159 HG2 GLU 21 HG2 GLU 21 4.078 -11.610 -3.215
160 HG3 GLU 21 HG1 GLU 21 2.531 -11.684 -4.068
161 H GLN 22 H GLN 22 2.974 -9.204 0.367
162 HA GLN 22 HA GLN 22 1.294 -6.903 0.342
163 HB2 GLN 22 HB2 GLN 22 0.944 -8.815 1.867
164 HB3 GLN 22 HB1 GLN 22 2.461 -8.439 2.669
165 HG2 GLN 22 HG2 GLN 22 1.559 -6.303 3.392
166 HG3 GLN 22 HG1 GLN 22 0.041 -6.659 2.570
167 HE21 GLN 22 1HE2 GLN 22 2.059 -7.363 5.242
168 HE22 GLN 22 2HE2 GLN 22 0.926 -8.281 6.159
169 H ARG 23 H ARG 23 4.553 -7.640 1.401
170 HA ARG 23 HA ARG 23 5.257 -5.171 2.533
171 HB2 ARG 23 HB2 ARG 23 7.012 -7.148 1.063
172 HB3 ARG 23 HB1 ARG 23 7.613 -5.813 2.023
173 HG2 ARG 23 HG2 ARG 23 6.588 -6.810 4.019
174 HG3 ARG 23 HG1 ARG 23 6.031 -8.164 3.034
175 HD2 ARG 23 HD2 ARG 23 8.073 -8.791 4.164
176 HD3 ARG 23 HD1 ARG 23 8.380 -8.650 2.435
177 HE ARG 23 HE ARG 23 8.940 -6.336 4.093
178 HH11 ARG 23 HH11 ARG 23 10.286 -9.111 2.276
179 HH12 ARG 23 HH12 ARG 23 11.879 -8.519 2.333
180 HH21 ARG 23 HH21 ARG 23 11.164 -5.585 4.163
181 HH22 ARG 23 HH22 ARG 23 12.392 -6.475 3.413
182 H ARG 24 H ARG 24 5.485 -6.361 -0.800
183 HA ARG 24 HA ARG 24 6.686 -4.060 -1.825
184 HB2 ARG 24 HB2 ARG 24 4.923 -6.038 -3.262
185 HB3 ARG 24 HB1 ARG 24 5.775 -4.733 -4.065
186 HG2 ARG 24 HG2 ARG 24 7.897 -5.758 -3.046
187 HG3 ARG 24 HG1 ARG 24 6.891 -7.179 -2.747
188 HD2 ARG 24 HD2 ARG 24 7.414 -5.864 -5.412
189 HD3 ARG 24 HD1 ARG 24 8.051 -7.407 -4.874
190 HE ARG 24 HE ARG 24 5.757 -8.259 -4.916
191 HH11 ARG 24 HH11 ARG 24 6.375 -5.253 -6.746
192 HH12 ARG 24 HH12 ARG 24 5.120 -5.520 -7.846
193 HH21 ARG 24 HH21 ARG 24 4.062 -8.595 -6.434
194 HH22 ARG 24 HH22 ARG 24 3.798 -7.455 -7.685
195 H CYS 25 H CYS 25 3.271 -4.864 -1.473
196 HA CYS 25 HA CYS 25 2.354 -2.481 -2.659
197 HB2 CYS 25 HB2 CYS 25 1.094 -4.562 -0.982
198 HB3 CYS 25 HB1 CYS 25 0.295 -2.994 -1.039
199 H GLN 26 H GLN 26 3.334 -3.202 0.610
200 HA GLN 26 HA GLN 26 2.388 -0.857 1.827
201 HB2 GLN 26 HB2 GLN 26 3.251 -2.876 3.019
202 HB3 GLN 26 HB1 GLN 26 4.870 -2.450 2.492
203 HG2 GLN 26 HG2 GLN 26 4.694 -0.341 3.738
204 HG3 GLN 26 HG1 GLN 26 3.102 -0.834 4.311
205 HE21 GLN 26 1HE2 GLN 26 2.951 -2.581 5.744
206 HE22 GLN 26 2HE2 GLN 26 4.303 -3.093 6.674
207 H GLN 27 H GLN 27 5.532 -1.710 0.453
208 HA GLN 27 HA GLN 27 6.824 0.760 0.687
209 HB2 GLN 27 HB2 GLN 27 7.913 -1.419 0.142
210 HB3 GLN 27 HB1 GLN 27 7.194 -1.345 -1.457
211 HG2 GLN 27 HG2 GLN 27 9.490 -0.664 -1.591
212 HG3 GLN 27 HG1 GLN 27 8.458 0.735 -1.885
213 HE21 GLN 27 1HE2 GLN 27 10.661 -0.767 0.319
214 HE22 GLN 27 2HE2 GLN 27 10.934 0.613 1.305
215 H GLU 28 H GLU 28 5.033 -0.644 -2.032
216 HA GLU 28 HA GLU 28 5.230 1.344 -3.923
217 HB2 GLU 28 HB2 GLU 28 3.236 -0.759 -3.346
218 HB3 GLU 28 HB1 GLU 28 2.787 0.500 -4.484
219 HG2 GLU 28 HG2 GLU 28 5.227 -1.231 -4.698
220 HG3 GLU 28 HG1 GLU 28 3.712 -1.482 -5.574
221 H CYS 29 H CYS 29 2.756 1.002 -1.436
222 HA CYS 29 HA CYS 29 1.280 3.224 -2.337
223 HB2 CYS 29 HB2 CYS 29 0.510 1.235 -0.890
224 HB3 CYS 29 HB1 CYS 29 1.172 2.140 0.466
225 H GLU 30 H GLU 30 3.896 2.851 0.004
226 HA GLU 30 HA GLU 30 3.643 5.437 1.124
227 HB2 GLU 30 HB2 GLU 30 6.014 3.564 1.051
228 HB3 GLU 30 HB1 GLU 30 5.972 5.060 1.968
229 HG2 GLU 30 HG2 GLU 30 4.189 2.673 2.372
230 HG3 GLU 30 HG1 GLU 30 5.550 3.141 3.383
231 H GLU 31 H GLU 31 5.515 4.125 -1.564
232 HA GLU 31 HA GLU 31 6.837 6.615 -2.104
233 HB2 GLU 31 HB2 GLU 31 6.476 4.212 -3.898
234 HB3 GLU 31 HB1 GLU 31 7.529 5.572 -4.233
235 HG2 GLU 31 HG2 GLU 31 8.814 4.988 -2.177
236 HG3 GLU 31 HG1 GLU 31 7.811 3.542 -2.030
237 H ARG 32 H ARG 32 3.778 5.386 -2.766
238 HA ARG 32 HA ARG 32 3.349 6.915 -5.177
239 HB2 ARG 32 HB2 ARG 32 2.377 4.636 -4.736
240 HB3 ARG 32 HB1 ARG 32 1.338 5.390 -3.552
241 HG2 ARG 32 HG2 ARG 32 0.241 6.683 -5.222
242 HG3 ARG 32 HG1 ARG 32 1.386 6.151 -6.460
243 HD2 ARG 32 HD2 ARG 32 -0.579 4.434 -4.949
244 HD3 ARG 32 HD1 ARG 32 -0.669 4.889 -6.651
245 HE ARG 32 HE ARG 32 1.698 3.669 -6.577
246 HH11 ARG 32 HH11 ARG 32 -1.467 2.639 -5.373
247 HH12 ARG 32 HH12 ARG 32 -1.099 0.984 -5.412
248 HH21 ARG 32 HH21 ARG 32 2.195 1.344 -6.670
249 HH22 ARG 32 HH22 ARG 32 0.990 0.254 -6.173
250 H LEU 33 H LEU 33 1.908 6.886 -1.899
251 HA LEU 33 HA LEU 33 0.694 9.435 -2.510
252 HB2 LEU 33 HB2 LEU 33 0.460 7.645 -0.099
253 HB3 LEU 33 HB1 LEU 33 -0.224 9.252 -0.133
254 HG LEU 33 HG LEU 33 -1.967 7.695 -0.543
255 HD11 LEU 33 HD11 LEU 33 -2.832 8.398 -2.693
256 HD12 LEU 33 HD12 LEU 33 -1.248 9.021 -3.136
257 HD13 LEU 33 HD13 LEU 33 -2.133 9.740 -1.789
258 HD21 LEU 33 HD21 LEU 33 -0.682 5.774 -1.310
259 HD22 LEU 33 HD22 LEU 33 -0.335 6.601 -2.829
260 HD23 LEU 33 HD23 LEU 33 -1.990 6.137 -2.437
261 H ARG 34 H ARG 34 3.303 8.225 -0.545
262 HA ARG 34 HA ARG 34 5.023 9.187 0.464
263 HB2 ARG 34 HB2 ARG 34 4.399 11.429 -1.438
264 HB3 ARG 34 HB1 ARG 34 5.812 11.420 -0.394
265 HG2 ARG 34 HG2 ARG 34 6.612 9.397 -1.448
266 HG3 ARG 34 HG1 ARG 34 5.161 9.323 -2.447
267 HD2 ARG 34 HD2 ARG 34 5.756 11.400 -3.519
268 HD3 ARG 34 HD1 ARG 34 7.169 11.572 -2.472
269 HE ARG 34 HE ARG 34 7.584 9.193 -3.594
270 HH11 ARG 34 HH11 ARG 34 6.735 12.285 -5.087
271 HH12 ARG 34 HH12 ARG 34 7.583 12.003 -6.526
272 HH21 ARG 34 HH21 ARG 34 8.768 8.794 -5.514
273 HH22 ARG 34 HH22 ARG 34 8.788 9.930 -6.786
274 H ASP 35 H ASP 35 4.382 9.272 2.507
275 HA ASP 35 HA ASP 35 3.691 11.937 3.446
276 HB2 ASP 35 HB2 ASP 35 1.718 10.462 3.724
277 HB3 ASP 35 HB1 ASP 35 2.708 9.349 4.666
Start of MODEL 18
1 H PCA 1 H PGL 1 -4.691 10.778 3.290
2 HA PCA 1 HA PGL 1 -4.178 8.701 4.605
3 HB2 PCA 1 HB1 PGL 1 -4.862 8.802 6.780
4 HB3 PCA 1 HB2 PGL 1 -6.566 8.827 6.246
5 HG2 PCA 1 HG1 PGL 1 -4.838 11.079 7.082
6 HG3 PCA 1 HG2 PGL 1 -6.621 11.026 6.890
7 H LYS 2 H LYS 2 -6.636 10.039 2.852
8 HA LYS 2 HA LYS 2 -8.353 7.745 2.765
9 HB2 LYS 2 HB2 LYS 2 -8.373 10.344 1.253
10 HB3 LYS 2 HB1 LYS 2 -9.533 9.056 0.983
11 HG2 LYS 2 HG2 LYS 2 -9.111 10.536 3.575
12 HG3 LYS 2 HG1 LYS 2 -10.445 10.778 2.445
13 HD2 LYS 2 HD2 LYS 2 -11.119 8.423 2.787
14 HD3 LYS 2 HD1 LYS 2 -9.834 8.247 3.977
15 HE2 LYS 2 HE2 LYS 2 -10.863 10.022 5.325
16 HE3 LYS 2 HE1 LYS 2 -12.161 10.139 4.146
17 HZ1 LYS 2 HZ1 LYS 2 -12.757 7.846 4.616
18 HZ2 LYS 2 HZ2 LYS 2 -12.776 8.761 6.038
19 HZ3 LYS 2 HZ3 LYS 2 -11.491 7.724 5.724
20 H GLU 3 H GLU 3 -5.761 9.050 0.838
21 HA GLU 3 HA GLU 3 -6.385 7.221 -1.281
22 HB2 GLU 3 HB2 GLU 3 -3.910 8.904 -0.897
23 HB3 GLU 3 HB1 GLU 3 -4.310 7.996 -2.350
24 HG2 GLU 3 HG2 GLU 3 -6.371 9.322 -2.582
25 HG3 GLU 3 HG1 GLU 3 -5.878 10.281 -1.193
26 H THR 4 H THR 4 -4.490 7.265 1.475
27 HA THR 4 HA THR 4 -2.955 4.929 0.961
28 HB THR 4 HB THR 4 -3.813 6.026 3.621
29 HG1 THR 4 HG1 THR 4 -1.784 7.196 3.440
30 HG21 THR 4 HG21 THR 4 -2.692 3.840 3.705
31 HG22 THR 4 HG22 THR 4 -1.665 5.092 4.403
32 HG23 THR 4 HG23 THR 4 -1.343 4.493 2.775
33 H GLU 5 H GLU 5 -6.110 5.658 2.281
34 HA GLU 5 HA GLU 5 -6.891 3.154 3.252
35 HB2 GLU 5 HB2 GLU 5 -8.086 5.264 3.689
36 HB3 GLU 5 HB1 GLU 5 -8.503 5.386 1.992
37 HG2 GLU 5 HG2 GLU 5 -10.404 4.663 3.253
38 HG3 GLU 5 HG1 GLU 5 -9.855 3.358 2.203
39 H ILE 6 H ILE 6 -7.443 4.710 0.105
40 HA ILE 6 HA ILE 6 -8.673 2.604 -1.281
41 HB ILE 6 HB ILE 6 -6.715 4.597 -2.445
42 HG12 ILE 6 HG12 ILE 6 -9.706 4.898 -2.191
43 HG13 ILE 6 HG11 ILE 6 -8.547 5.652 -1.098
44 HG21 ILE 6 HG21 ILE 6 -7.270 2.789 -3.980
45 HG22 ILE 6 HG22 ILE 6 -8.003 4.300 -4.522
46 HG23 ILE 6 HG23 ILE 6 -8.991 3.080 -3.726
47 HD11 ILE 6 HD11 ILE 6 -8.822 6.133 -4.046
48 HD12 ILE 6 HD12 ILE 6 -7.542 6.774 -3.024
49 HD13 ILE 6 HD13 ILE 6 -9.219 7.254 -2.730
50 H CYS 7 H CYS 7 -5.318 3.567 -1.144
51 HA CYS 7 HA CYS 7 -4.151 1.628 -2.705
52 HB2 CYS 7 HB2 CYS 7 -2.964 3.605 -2.020
53 HB3 CYS 7 HB1 CYS 7 -3.054 3.126 -0.333
54 H ARG 8 H ARG 8 -4.653 1.460 0.862
55 HA ARG 8 HA ARG 8 -3.575 -1.158 0.953
56 HB2 ARG 8 HB2 ARG 8 -3.500 0.114 2.987
57 HB3 ARG 8 HB1 ARG 8 -5.239 0.358 2.967
58 HG2 ARG 8 HG2 ARG 8 -4.638 -1.296 4.653
59 HG3 ARG 8 HG1 ARG 8 -5.581 -2.034 3.362
60 HD2 ARG 8 HD2 ARG 8 -3.439 -2.860 2.359
61 HD3 ARG 8 HD1 ARG 8 -2.591 -2.243 3.780
62 HE ARG 8 HE ARG 8 -4.793 -4.094 4.216
63 HH11 ARG 8 HH11 ARG 8 -1.262 -3.725 4.043
64 HH12 ARG 8 HH12 ARG 8 -0.956 -5.131 4.973
65 HH21 ARG 8 HH21 ARG 8 -4.295 -6.045 5.470
66 HH22 ARG 8 HH22 ARG 8 -2.672 -6.450 5.764
67 H GLN 9 H GLN 9 -6.880 0.064 0.646
68 HA GLN 9 HA GLN 9 -8.179 -2.389 0.900
69 HB2 GLN 9 HB2 GLN 9 -8.919 0.069 -0.656
70 HB3 GLN 9 HB1 GLN 9 -9.953 -1.350 -0.612
71 HG2 GLN 9 HG2 GLN 9 -10.100 -1.169 1.813
72 HG3 GLN 9 HG1 GLN 9 -9.056 0.249 1.767
73 HE21 GLN 9 1HE2 GLN 9 -10.636 1.455 2.726
74 HE22 GLN 9 2HE2 GLN 9 -12.040 2.007 1.901
75 H TRP 10 H TRP 10 -6.638 -0.948 -1.892
76 HA TRP 10 HA TRP 10 -7.450 -2.783 -3.849
77 HB2 TRP 10 HB2 TRP 10 -6.204 -0.638 -4.291
78 HB3 TRP 10 HB1 TRP 10 -4.749 -1.406 -3.667
79 HD1 TRP 10 HD TRP 10 -7.037 -1.338 -6.698
80 HE1 TRP 10 HE1 TRP 10 -5.915 -2.572 -8.645
81 HE3 TRP 10 3HE TRP 10 -3.013 -3.300 -4.238
82 HZ2 TRP 10 HZ2 TRP 10 -3.639 -4.162 -9.101
83 HZ3 TRP 10 HZ3 TRP 10 -1.407 -4.662 -5.509
84 HH2 TRP 10 HH TRP 10 -1.716 -5.082 -7.891
85 H CYS 11 H CYS 11 -4.498 -2.744 -1.873
86 HA CYS 11 HA CYS 11 -3.654 -5.274 -2.763
87 HB2 CYS 11 HB2 CYS 11 -2.791 -3.599 -0.435
88 HB3 CYS 11 HB1 CYS 11 -2.057 -5.153 -0.831
89 H GLN 12 H GLN 12 -5.600 -4.322 -0.010
90 HA GLN 12 HA GLN 12 -5.500 -6.660 1.457
91 HB2 GLN 12 HB2 GLN 12 -6.518 -4.670 2.343
92 HB3 GLN 12 HB1 GLN 12 -7.752 -4.683 1.097
93 HG2 GLN 12 HG2 GLN 12 -8.644 -5.427 3.239
94 HG3 GLN 12 HG1 GLN 12 -8.708 -6.714 2.038
95 HE21 GLN 12 1HE2 GLN 12 -7.225 -5.603 4.948
96 HE22 GLN 12 2HE2 GLN 12 -6.512 -7.095 5.408
97 H VAL 13 H VAL 13 -7.657 -5.749 -1.233
98 HA VAL 13 HA VAL 13 -8.953 -8.311 -1.092
99 HB VAL 13 HB VAL 13 -10.314 -6.330 -1.656
100 HG11 VAL 13 HG11 VAL 13 -10.212 -5.281 -3.857
101 HG12 VAL 13 HG12 VAL 13 -8.762 -6.216 -4.228
102 HG13 VAL 13 3HG1 VAL 13 -8.734 -5.026 -2.927
103 HG21 VAL 13 HG21 VAL 13 -11.546 -7.267 -3.574
104 HG22 VAL 13 HG22 VAL 13 -11.142 -8.483 -2.363
105 HG23 VAL 13 HG23 VAL 13 -10.211 -8.384 -3.857
106 H MET 14 H MET 14 -6.533 -6.777 -3.071
107 HA MET 14 HA MET 14 -6.527 -8.700 -5.160
108 HB2 MET 14 HB2 MET 14 -5.618 -6.376 -5.328
109 HB3 MET 14 HB1 MET 14 -4.281 -6.873 -4.305
110 HG2 MET 14 HG2 MET 14 -3.609 -6.865 -6.616
111 HG3 MET 14 HG1 MET 14 -3.620 -8.519 -5.999
112 HE1 MET 14 HE1 MET 14 -3.584 -7.699 -9.125
113 HE2 MET 14 HE2 MET 14 -4.711 -8.894 -9.764
114 HE3 MET 14 3HE MET 14 -3.523 -9.365 -8.547
115 H LYS 15 H LYS 15 -4.482 -8.259 -2.269
116 HA LYS 15 HA LYS 15 -3.594 -11.025 -2.576
117 HB2 LYS 15 HB2 LYS 15 -1.941 -8.626 -1.778
118 HB3 LYS 15 HB1 LYS 15 -1.427 -10.279 -1.514
119 HG2 LYS 15 HG2 LYS 15 -1.957 -8.999 -4.193
120 HG3 LYS 15 HG1 LYS 15 -0.375 -9.301 -3.472
121 HD2 LYS 15 HD2 LYS 15 -0.934 -11.732 -3.433
122 HD3 LYS 15 HD1 LYS 15 -2.411 -11.360 -4.321
123 HE2 LYS 15 HE2 LYS 15 0.427 -10.903 -5.256
124 HE3 LYS 15 HE1 LYS 15 -0.696 -12.126 -5.838
125 HZ1 LYS 15 HZ1 LYS 15 -2.129 -10.309 -6.637
126 HZ2 LYS 15 HZ2 LYS 15 -0.616 -10.307 -7.363
127 HZ3 LYS 15 HZ3 LYS 15 -0.946 -9.186 -6.175
128 HA PRO 16 HA PRO 16 -5.564 -10.705 1.526
129 HB2 PRO 16 HB2 PRO 16 -5.492 -13.651 1.206
130 HB3 PRO 16 HB1 PRO 16 -6.860 -12.614 1.615
131 HG2 PRO 16 HG2 PRO 16 -6.698 -13.742 -0.784
132 HG3 PRO 16 HG1 PRO 16 -7.288 -12.079 -0.599
133 HD2 PRO 16 HD2 PRO 16 -4.576 -13.032 -1.448
134 HD3 PRO 16 HD1 PRO 16 -5.585 -11.737 -2.143
135 H GLN 17 H GLN 17 -4.575 -10.954 3.445
136 HA GLN 17 HA GLN 17 -3.035 -11.325 5.052
137 HB2 GLN 17 HB2 GLN 17 -1.799 -13.403 3.224
138 HB3 GLN 17 HB1 GLN 17 -1.329 -13.120 4.888
139 HG2 GLN 17 HG2 GLN 17 -3.596 -13.785 5.591
140 HG3 GLN 17 HG1 GLN 17 -3.969 -14.159 3.909
141 HE21 GLN 17 1HE2 GLN 17 -4.278 -16.318 4.255
142 HE22 GLN 17 2HE2 GLN 17 -3.012 -17.400 4.690
143 H GLY 18 H GLY 18 -1.505 -11.438 1.892
144 HA2 GLY 18 HA2 GLY 18 -0.293 -9.568 1.031
145 HA3 GLY 18 HA1 GLY 18 0.077 -9.110 2.685
146 H GLY 19 H GLY 19 1.503 -10.469 3.845
147 HA2 GLY 19 HA2 GLY 19 3.483 -11.618 4.155
148 HA3 GLY 19 HA1 GLY 19 3.114 -12.475 2.663
149 H GLU 20 H GLU 20 4.603 -12.276 1.194
150 HA GLU 20 HA GLU 20 6.664 -10.334 1.262
151 HB2 GLU 20 HB2 GLU 20 5.761 -12.158 -0.971
152 HB3 GLU 20 HB1 GLU 20 7.269 -11.252 -0.939
153 HG2 GLU 20 HG2 GLU 20 8.035 -12.511 0.963
154 HG3 GLU 20 HG1 GLU 20 6.493 -13.356 1.058
155 H GLU 21 H GLU 21 3.620 -10.645 -0.367
156 HA GLU 21 HA GLU 21 4.015 -8.375 -2.023
157 HB2 GLU 21 HB2 GLU 21 1.480 -9.869 -1.351
158 HB3 GLU 21 HB1 GLU 21 1.620 -8.618 -2.582
159 HG2 GLU 21 HG2 GLU 21 3.054 -11.267 -2.564
160 HG3 GLU 21 HG1 GLU 21 1.696 -10.822 -3.593
161 H GLN 22 H GLN 22 3.100 -8.833 1.222
162 HA GLN 22 HA GLN 22 1.708 -6.367 1.642
163 HB2 GLN 22 HB2 GLN 22 1.756 -8.298 3.314
164 HB3 GLN 22 HB1 GLN 22 3.430 -7.923 3.611
165 HG2 GLN 22 HG2 GLN 22 1.194 -5.975 4.166
166 HG3 GLN 22 HG1 GLN 22 1.765 -7.145 5.342
167 HE21 GLN 22 1HE2 GLN 22 1.724 -4.252 5.471
168 HE22 GLN 22 2HE2 GLN 22 3.349 -3.746 5.716
169 H ARG 23 H ARG 23 5.025 -7.456 1.870
170 HA ARG 23 HA ARG 23 6.208 -5.020 2.596
171 HB2 ARG 23 HB2 ARG 23 7.444 -7.187 0.876
172 HB3 ARG 23 HB1 ARG 23 8.312 -5.936 1.744
173 HG2 ARG 23 HG2 ARG 23 6.805 -8.264 2.903
174 HG3 ARG 23 HG1 ARG 23 8.539 -7.956 2.960
175 HD2 ARG 23 HD2 ARG 23 6.364 -6.390 4.336
176 HD3 ARG 23 HD1 ARG 23 7.552 -7.438 5.095
177 HE ARG 23 HE ARG 23 9.239 -5.801 4.204
178 HH11 ARG 23 HH11 ARG 23 5.930 -4.834 5.058
179 HH12 ARG 23 HH12 ARG 23 6.367 -3.244 5.492
180 HH21 ARG 23 HH21 ARG 23 9.814 -3.577 4.787
181 HH22 ARG 23 HH22 ARG 23 8.622 -2.495 5.318
182 H ARG 24 H ARG 24 5.736 -6.484 -0.559
183 HA ARG 24 HA ARG 24 6.699 -4.450 -2.191
184 HB2 ARG 24 HB2 ARG 24 6.092 -6.724 -2.969
185 HB3 ARG 24 HB1 ARG 24 4.403 -6.334 -2.719
186 HG2 ARG 24 HG2 ARG 24 4.520 -4.632 -4.460
187 HG3 ARG 24 HG1 ARG 24 6.232 -4.997 -4.705
188 HD2 ARG 24 HD2 ARG 24 5.676 -7.280 -5.325
189 HD3 ARG 24 HD1 ARG 24 3.970 -6.962 -5.029
190 HE ARG 24 HE ARG 24 5.171 -5.210 -6.951
191 HH11 ARG 24 HH11 ARG 24 3.573 -8.358 -6.498
192 HH12 ARG 24 HH12 ARG 24 3.030 -8.439 -8.114
193 HH21 ARG 24 HH21 ARG 24 4.410 -5.394 -9.200
194 HH22 ARG 24 HH22 ARG 24 3.499 -6.771 -9.642
195 H CYS 25 H CYS 25 3.303 -5.056 -1.267
196 HA CYS 25 HA CYS 25 2.245 -2.794 -2.437
197 HB2 CYS 25 HB2 CYS 25 1.301 -4.605 -0.293
198 HB3 CYS 25 HB1 CYS 25 0.445 -3.095 -0.592
199 H GLN 26 H GLN 26 3.432 -3.166 0.890
200 HA GLN 26 HA GLN 26 2.562 -0.636 1.737
201 HB2 GLN 26 HB2 GLN 26 3.256 -2.465 3.257
202 HB3 GLN 26 HB1 GLN 26 4.913 -2.263 2.716
203 HG2 GLN 26 HG2 GLN 26 4.889 0.031 3.602
204 HG3 GLN 26 HG1 GLN 26 3.257 -0.253 4.210
205 HE21 GLN 26 1HE2 GLN 26 2.955 -1.625 5.979
206 HE22 GLN 26 2HE2 GLN 26 4.289 -2.098 6.967
207 H GLN 27 H GLN 27 5.542 -1.765 0.243
208 HA GLN 27 HA GLN 27 6.993 0.632 0.406
209 HB2 GLN 27 HB2 GLN 27 7.987 -1.581 -0.046
210 HB3 GLN 27 HB1 GLN 27 7.185 -1.612 -1.601
211 HG2 GLN 27 HG2 GLN 27 9.562 -1.032 -1.774
212 HG3 GLN 27 HG1 GLN 27 8.500 0.242 -2.374
213 HE21 GLN 27 1HE2 GLN 27 8.363 2.158 -1.258
214 HE22 GLN 27 2HE2 GLN 27 9.490 2.625 -0.058
215 H GLU 28 H GLU 28 4.930 -0.712 -2.131
216 HA GLU 28 HA GLU 28 5.269 1.474 -3.923
217 HB2 GLU 28 HB2 GLU 28 2.971 -0.476 -3.782
218 HB3 GLU 28 HB1 GLU 28 3.416 0.514 -5.163
219 HG2 GLU 28 HG2 GLU 28 5.017 -1.742 -3.985
220 HG3 GLU 28 HG1 GLU 28 4.068 -1.789 -5.464
221 H CYS 29 H CYS 29 3.148 0.786 -1.279
222 HA CYS 29 HA CYS 29 1.126 2.669 -1.855
223 HB2 CYS 29 HB2 CYS 29 1.201 0.622 -0.193
224 HB3 CYS 29 HB1 CYS 29 1.751 1.844 0.946
225 H GLU 30 H GLU 30 3.949 2.772 0.340
226 HA GLU 30 HA GLU 30 3.476 5.453 1.086
227 HB2 GLU 30 HB2 GLU 30 5.846 5.388 1.948
228 HB3 GLU 30 HB1 GLU 30 4.801 4.121 2.560
229 HG2 GLU 30 HG2 GLU 30 5.780 2.564 0.928
230 HG3 GLU 30 HG1 GLU 30 6.864 3.839 0.392
231 H GLU 31 H GLU 31 5.090 4.003 -1.589
232 HA GLU 31 HA GLU 31 6.405 6.279 -2.636
233 HB2 GLU 31 HB2 GLU 31 6.846 3.973 -3.379
234 HB3 GLU 31 HB1 GLU 31 5.220 3.874 -4.026
235 HG2 GLU 31 HG2 GLU 31 5.796 5.728 -5.569
236 HG3 GLU 31 HG1 GLU 31 7.461 5.612 -4.996
237 H ARG 32 H ARG 32 3.223 4.850 -3.200
238 HA ARG 32 HA ARG 32 2.246 6.703 -5.082
239 HB2 ARG 32 HB2 ARG 32 1.292 4.452 -4.654
240 HB3 ARG 32 HB1 ARG 32 0.712 5.011 -3.096
241 HG2 ARG 32 HG2 ARG 32 -1.102 4.970 -4.690
242 HG3 ARG 32 HG1 ARG 32 -0.733 6.638 -4.243
243 HD2 ARG 32 HD2 ARG 32 -1.111 6.407 -6.660
244 HD3 ARG 32 HD1 ARG 32 0.532 6.931 -6.295
245 HE ARG 32 HE ARG 32 0.371 4.115 -6.513
246 HH11 ARG 32 HH11 ARG 32 0.515 7.046 -8.468
247 HH12 ARG 32 HH12 ARG 32 1.179 6.300 -9.838
248 HH21 ARG 32 HH21 ARG 32 1.280 3.054 -8.396
249 HH22 ARG 32 HH22 ARG 32 1.684 3.953 -9.777
250 H LEU 33 H LEU 33 2.233 6.583 -1.610
251 HA LEU 33 HA LEU 33 0.544 8.809 -1.199
252 HB2 LEU 33 HB2 LEU 33 1.014 7.066 0.501
253 HB3 LEU 33 HB1 LEU 33 2.655 7.660 0.626
254 HG LEU 33 HG LEU 33 1.805 9.806 1.484
255 HD11 LEU 33 HD11 LEU 33 -0.878 8.444 1.354
256 HD12 LEU 33 HD12 LEU 33 -0.366 9.846 0.411
257 HD13 LEU 33 HD13 LEU 33 -0.552 9.976 2.156
258 HD21 LEU 33 HD21 LEU 33 2.446 8.037 3.041
259 HD22 LEU 33 HD22 LEU 33 0.808 7.384 2.984
260 HD23 LEU 33 HD23 LEU 33 1.099 8.980 3.676
261 H ARG 34 H ARG 34 3.934 8.441 -1.847
262 HA ARG 34 HA ARG 34 4.736 11.074 -1.067
263 HB2 ARG 34 HB2 ARG 34 6.289 9.121 -1.244
264 HB3 ARG 34 HB1 ARG 34 6.065 9.150 -2.979
265 HG2 ARG 34 HG2 ARG 34 8.128 10.198 -2.613
266 HG3 ARG 34 HG1 ARG 34 6.996 11.512 -2.914
267 HD2 ARG 34 HD2 ARG 34 7.782 10.586 -0.157
268 HD3 ARG 34 HD1 ARG 34 8.638 11.863 -1.011
269 HE ARG 34 HE ARG 34 6.196 12.831 -1.037
270 HH11 ARG 34 HH11 ARG 34 7.862 11.224 1.690
271 HH12 ARG 34 HH12 ARG 34 7.109 12.198 2.870
272 HH21 ARG 34 HH21 ARG 34 5.222 14.175 0.653
273 HH22 ARG 34 HH22 ARG 34 5.624 13.880 2.283
274 H ASP 35 H ASP 35 4.280 9.536 -4.184
275 HA ASP 35 HA ASP 35 3.748 12.217 -5.282
276 HB2 ASP 35 HB2 ASP 35 4.998 9.894 -6.764
277 HB3 ASP 35 HB1 ASP 35 4.500 11.396 -7.513
Start of MODEL 19
1 H PCA 1 H PGL 1 -6.007 11.737 2.508
2 HA PCA 1 HA PGL 1 -4.317 9.828 2.927
3 HB2 PCA 1 HB1 PGL 1 -3.835 9.507 5.127
4 HB3 PCA 1 HB2 PGL 1 -5.540 9.092 5.448
5 HG2 PCA 1 HG1 PGL 1 -4.140 11.597 5.989
6 HG3 PCA 1 HG2 PGL 1 -5.805 11.101 6.449
7 H LYS 2 H LYS 2 -7.423 10.442 2.555
8 HA LYS 2 HA LYS 2 -8.711 7.959 3.010
9 HB2 LYS 2 HB2 LYS 2 -9.418 10.176 1.097
10 HB3 LYS 2 HB1 LYS 2 -10.496 8.903 1.648
11 HG2 LYS 2 HG2 LYS 2 -10.447 9.740 3.892
12 HG3 LYS 2 HG1 LYS 2 -9.208 10.921 3.468
13 HD2 LYS 2 HD2 LYS 2 -10.788 11.965 1.899
14 HD3 LYS 2 HD1 LYS 2 -12.031 10.828 2.413
15 HE2 LYS 2 HE2 LYS 2 -12.292 12.955 3.551
16 HE3 LYS 2 HE1 LYS 2 -11.864 11.681 4.691
17 HZ1 LYS 2 HZ1 LYS 2 -9.935 13.648 3.556
18 HZ2 LYS 2 HZ2 LYS 2 -9.602 12.504 4.744
19 HZ3 LYS 2 HZ3 LYS 2 -10.656 13.765 5.070
20 H GLU 3 H GLU 3 -6.994 9.372 0.306
21 HA GLU 3 HA GLU 3 -7.691 7.344 -1.532
22 HB2 GLU 3 HB2 GLU 3 -5.456 9.360 -1.569
23 HB3 GLU 3 HB1 GLU 3 -5.798 8.276 -2.908
24 HG2 GLU 3 HG2 GLU 3 -8.064 9.252 -3.063
25 HG3 GLU 3 HG1 GLU 3 -7.634 10.379 -1.781
26 H THR 4 H THR 4 -5.348 7.637 0.854
27 HA THR 4 HA THR 4 -3.637 5.515 -0.014
28 HB THR 4 HB THR 4 -3.962 6.609 2.759
29 HG1 THR 4 HG1 THR 4 -2.834 7.670 0.433
30 HG21 THR 4 HG21 THR 4 -2.555 4.600 2.575
31 HG22 THR 4 HG22 THR 4 -1.575 6.008 2.987
32 HG23 THR 4 HG23 THR 4 -1.585 5.392 1.333
33 H GLU 5 H GLU 5 -6.486 5.870 1.972
34 HA GLU 5 HA GLU 5 -6.552 3.290 3.099
35 HB2 GLU 5 HB2 GLU 5 -8.791 5.215 2.447
36 HB3 GLU 5 HB1 GLU 5 -8.979 3.763 3.418
37 HG2 GLU 5 HG2 GLU 5 -7.178 6.072 4.101
38 HG3 GLU 5 HG1 GLU 5 -8.790 5.808 4.765
39 H ILE 6 H ILE 6 -7.913 4.669 0.139
40 HA ILE 6 HA ILE 6 -9.200 2.369 -0.893
41 HB ILE 6 HB ILE 6 -7.739 4.446 -2.546
42 HG12 ILE 6 HG12 ILE 6 -10.609 4.584 -1.611
43 HG13 ILE 6 HG11 ILE 6 -9.290 5.478 -0.858
44 HG21 ILE 6 HG21 ILE 6 -9.416 3.910 -4.261
45 HG22 ILE 6 HG22 ILE 6 -10.159 2.745 -3.172
46 HG23 ILE 6 HG23 ILE 6 -8.536 2.457 -3.779
47 HD11 ILE 6 HD11 ILE 6 -8.848 6.554 -3.000
48 HD12 ILE 6 HD12 ILE 6 -10.461 6.912 -2.371
49 HD13 ILE 6 HD13 ILE 6 -10.253 5.744 -3.688
50 H CYS 7 H CYS 7 -6.012 3.693 -1.363
51 HA CYS 7 HA CYS 7 -4.854 1.809 -3.020
52 HB2 CYS 7 HB2 CYS 7 -3.849 3.994 -2.418
53 HB3 CYS 7 HB1 CYS 7 -3.544 3.398 -0.800
54 H ARG 8 H ARG 8 -4.981 1.761 0.564
55 HA ARG 8 HA ARG 8 -3.717 -0.762 0.790
56 HB2 ARG 8 HB2 ARG 8 -3.758 0.677 2.728
57 HB3 ARG 8 HB1 ARG 8 -5.513 0.739 2.709
58 HG2 ARG 8 HG2 ARG 8 -4.733 -0.707 4.504
59 HG3 ARG 8 HG1 ARG 8 -5.606 -1.644 3.297
60 HD2 ARG 8 HD2 ARG 8 -3.418 -2.338 2.329
61 HD3 ARG 8 HD1 ARG 8 -2.608 -1.472 3.636
62 HE ARG 8 HE ARG 8 -4.549 -3.540 4.328
63 HH11 ARG 8 HH11 ARG 8 -1.104 -2.679 4.040
64 HH12 ARG 8 HH12 ARG 8 -0.596 -3.840 5.162
65 HH21 ARG 8 HH21 ARG 8 -3.790 -5.126 5.933
66 HH22 ARG 8 HH22 ARG 8 -2.128 -5.255 6.250
67 H GLN 9 H GLN 9 -7.086 0.234 0.581
68 HA GLN 9 HA GLN 9 -8.333 -2.193 1.073
69 HB2 GLN 9 HB2 GLN 9 -9.569 -0.136 0.990
70 HB3 GLN 9 HB1 GLN 9 -9.171 0.089 -0.704
71 HG2 GLN 9 HG2 GLN 9 -10.514 -1.840 -1.293
72 HG3 GLN 9 HG1 GLN 9 -10.877 -2.125 0.408
73 HE21 GLN 9 1HE2 GLN 9 -12.278 -0.755 1.474
74 HE22 GLN 9 2HE2 GLN 9 -13.342 0.301 0.622
75 H TRP 10 H TRP 10 -7.072 -0.912 -1.941
76 HA TRP 10 HA TRP 10 -7.990 -2.934 -3.655
77 HB2 TRP 10 HB2 TRP 10 -7.014 -0.762 -4.388
78 HB3 TRP 10 HB1 TRP 10 -5.430 -1.352 -3.895
79 HD1 TRP 10 HD TRP 10 -8.188 -2.074 -6.441
80 HE1 TRP 10 HE1 TRP 10 -7.127 -3.299 -8.462
81 HE3 TRP 10 3HE TRP 10 -3.545 -2.645 -4.609
82 HZ2 TRP 10 HZ2 TRP 10 -4.593 -4.354 -9.167
83 HZ3 TRP 10 HZ3 TRP 10 -1.802 -3.763 -5.995
84 HH2 TRP 10 HH TRP 10 -2.337 -4.599 -8.229
85 H CYS 11 H CYS 11 -4.894 -2.654 -1.977
86 HA CYS 11 HA CYS 11 -4.011 -5.217 -2.774
87 HB2 CYS 11 HB2 CYS 11 -3.104 -3.343 -0.620
88 HB3 CYS 11 HB1 CYS 11 -2.318 -4.889 -0.936
89 H GLN 12 H GLN 12 -5.850 -4.072 -0.080
90 HA GLN 12 HA GLN 12 -5.728 -6.117 1.741
91 HB2 GLN 12 HB2 GLN 12 -6.895 -4.039 2.140
92 HB3 GLN 12 HB1 GLN 12 -8.064 -4.429 0.890
93 HG2 GLN 12 HG2 GLN 12 -8.838 -6.325 2.234
94 HG3 GLN 12 HG1 GLN 12 -7.702 -5.873 3.500
95 HE21 GLN 12 1HE2 GLN 12 -9.561 -3.638 1.535
96 HE22 GLN 12 2HE2 GLN 12 -10.518 -3.033 2.834
97 H VAL 13 H VAL 13 -7.838 -5.698 -1.072
98 HA VAL 13 HA VAL 13 -9.092 -8.261 -0.684
99 HB VAL 13 HB VAL 13 -9.418 -6.336 -3.010
100 HG11 VAL 13 HG11 VAL 13 -10.198 -8.590 -3.509
101 HG12 VAL 13 HG12 VAL 13 -11.557 -7.473 -3.375
102 HG13 VAL 13 3HG1 VAL 13 -11.192 -8.581 -2.053
103 HG21 VAL 13 HG21 VAL 13 -9.989 -5.224 -0.920
104 HG22 VAL 13 HG22 VAL 13 -11.046 -6.564 -0.478
105 HG23 VAL 13 HG23 VAL 13 -11.445 -5.546 -1.862
106 H MET 14 H MET 14 -6.556 -6.881 -2.641
107 HA MET 14 HA MET 14 -6.387 -8.860 -4.619
108 HB2 MET 14 HB2 MET 14 -5.150 -6.727 -4.826
109 HB3 MET 14 HB1 MET 14 -4.127 -7.206 -3.481
110 HG2 MET 14 HG2 MET 14 -3.255 -9.075 -4.767
111 HG3 MET 14 HG1 MET 14 -4.307 -8.657 -6.113
112 HE1 MET 14 HE1 MET 14 -1.140 -9.105 -6.366
113 HE2 MET 14 HE2 MET 14 -0.748 -7.797 -7.484
114 HE3 MET 14 3HE MET 14 -2.219 -8.742 -7.709
115 H LYS 15 H LYS 15 -4.592 -8.588 -1.541
116 HA LYS 15 HA LYS 15 -4.384 -11.462 -1.544
117 HB2 LYS 15 HB2 LYS 15 -2.427 -10.772 -2.830
118 HB3 LYS 15 HB1 LYS 15 -1.937 -9.704 -1.531
119 HG2 LYS 15 HG2 LYS 15 -0.601 -11.711 -1.475
120 HG3 LYS 15 HG1 LYS 15 -1.657 -11.618 -0.063
121 HD2 LYS 15 HD2 LYS 15 -1.560 -13.892 -0.966
122 HD3 LYS 15 HD1 LYS 15 -3.184 -13.223 -1.076
123 HE2 LYS 15 HE2 LYS 15 -2.868 -12.759 -3.432
124 HE3 LYS 15 HE1 LYS 15 -1.187 -13.279 -3.350
125 HZ1 LYS 15 HZ1 LYS 15 -1.986 -15.507 -2.782
126 HZ2 LYS 15 HZ2 LYS 15 -2.576 -15.015 -4.265
127 HZ3 LYS 15 HZ3 LYS 15 -3.577 -14.990 -2.919
128 HA PRO 16 HA PRO 16 -5.029 -9.987 2.722
129 HB2 PRO 16 HB2 PRO 16 -6.346 -12.594 2.989
130 HB3 PRO 16 HB1 PRO 16 -7.018 -10.989 3.264
131 HG2 PRO 16 HG2 PRO 16 -7.778 -12.507 1.173
132 HG3 PRO 16 HG1 PRO 16 -7.671 -10.740 1.061
133 HD2 PRO 16 HD2 PRO 16 -5.729 -12.818 0.123
134 HD3 PRO 16 HD1 PRO 16 -6.296 -11.346 -0.701
135 H GLN 17 H GLN 17 -3.325 -10.281 3.985
136 HA GLN 17 HA GLN 17 -1.720 -11.188 5.276
137 HB2 GLN 17 HB2 GLN 17 -3.414 -13.644 4.933
138 HB3 GLN 17 HB1 GLN 17 -1.952 -13.644 5.905
139 HG2 GLN 17 HG2 GLN 17 -4.338 -11.866 6.346
140 HG3 GLN 17 HG1 GLN 17 -3.975 -13.337 7.250
141 HE21 GLN 17 1HE2 GLN 17 -3.149 -10.027 6.750
142 HE22 GLN 17 2HE2 GLN 17 -2.060 -9.873 8.068
143 H GLY 18 H GLY 18 -1.496 -11.324 2.258
144 HA2 GLY 18 HA2 GLY 18 0.436 -13.493 2.061
145 HA3 GLY 18 HA1 GLY 18 -0.116 -12.525 0.695
146 H GLY 19 H GLY 19 2.161 -12.941 3.145
147 HA2 GLY 19 HA2 GLY 19 3.132 -10.536 3.876
148 HA3 GLY 19 HA1 GLY 19 4.138 -11.949 3.657
149 H GLU 20 H GLU 20 4.204 -12.214 0.946
150 HA GLU 20 HA GLU 20 6.131 -10.190 0.394
151 HB2 GLU 20 HB2 GLU 20 6.549 -11.310 -1.740
152 HB3 GLU 20 HB1 GLU 20 6.537 -12.451 -0.412
153 HG2 GLU 20 HG2 GLU 20 4.266 -12.027 -2.360
154 HG3 GLU 20 HG1 GLU 20 5.456 -13.318 -2.465
155 H GLU 21 H GLU 21 2.944 -10.867 -0.887
156 HA GLU 21 HA GLU 21 3.034 -8.889 -2.944
157 HB2 GLU 21 HB2 GLU 21 1.461 -10.907 -2.710
158 HB3 GLU 21 HB1 GLU 21 0.551 -9.898 -1.596
159 HG2 GLU 21 HG2 GLU 21 -0.494 -9.724 -3.711
160 HG3 GLU 21 HG1 GLU 21 0.359 -8.203 -3.427
161 H GLN 22 H GLN 22 1.818 -9.040 0.309
162 HA GLN 22 HA GLN 22 0.533 -6.529 0.364
163 HB2 GLN 22 HB2 GLN 22 0.142 -8.610 1.770
164 HB3 GLN 22 HB1 GLN 22 1.562 -8.147 2.679
165 HG2 GLN 22 HG2 GLN 22 0.483 -6.145 3.429
166 HG3 GLN 22 HG1 GLN 22 -0.913 -6.472 2.394
167 HE21 GLN 22 1HE2 GLN 22 -2.397 -6.668 4.035
168 HE22 GLN 22 2HE2 GLN 22 -2.346 -7.932 5.194
169 H ARG 23 H ARG 23 3.774 -7.700 1.257
170 HA ARG 23 HA ARG 23 4.677 -5.312 2.428
171 HB2 ARG 23 HB2 ARG 23 5.754 -7.551 2.659
172 HB3 ARG 23 HB1 ARG 23 6.293 -7.410 0.992
173 HG2 ARG 23 HG2 ARG 23 7.516 -5.393 1.571
174 HG3 ARG 23 HG1 ARG 23 7.016 -5.598 3.254
175 HD2 ARG 23 HD2 ARG 23 8.127 -7.804 3.269
176 HD3 ARG 23 HD1 ARG 23 8.691 -7.495 1.625
177 HE ARG 23 HE ARG 23 9.346 -5.639 3.771
178 HH11 ARG 23 HH11 ARG 23 10.458 -8.045 1.441
179 HH12 ARG 23 HH12 ARG 23 12.092 -7.627 1.552
180 HH21 ARG 23 HH21 ARG 23 11.541 -5.068 3.970
181 HH22 ARG 23 HH22 ARG 23 12.744 -5.868 3.046
182 H ARG 24 H ARG 24 4.749 -6.586 -0.862
183 HA ARG 24 HA ARG 24 6.218 -4.457 -1.981
184 HB2 ARG 24 HB2 ARG 24 4.203 -6.315 -3.244
185 HB3 ARG 24 HB1 ARG 24 5.128 -5.126 -4.153
186 HG2 ARG 24 HG2 ARG 24 6.245 -7.450 -2.591
187 HG3 ARG 24 HG1 ARG 24 6.137 -7.320 -4.348
188 HD2 ARG 24 HD2 ARG 24 7.793 -5.573 -2.515
189 HD3 ARG 24 HD1 ARG 24 8.392 -6.807 -3.609
190 HE ARG 24 HE ARG 24 7.118 -5.265 -5.317
191 HH11 ARG 24 HH11 ARG 24 9.253 -4.252 -2.642
192 HH12 ARG 24 HH12 ARG 24 9.870 -2.921 -3.492
193 HH21 ARG 24 HH21 ARG 24 7.993 -3.378 -6.430
194 HH22 ARG 24 HH22 ARG 24 9.124 -2.400 -5.644
195 H CYS 25 H CYS 25 2.773 -4.956 -1.558
196 HA CYS 25 HA CYS 25 1.899 -2.552 -2.627
197 HB2 CYS 25 HB2 CYS 25 0.813 -4.317 -0.476
198 HB3 CYS 25 HB1 CYS 25 0.023 -2.798 -0.883
199 H GLN 26 H GLN 26 2.947 -3.276 0.687
200 HA GLN 26 HA GLN 26 2.514 -0.827 1.897
201 HB2 GLN 26 HB2 GLN 26 3.330 -2.905 3.006
202 HB3 GLN 26 HB1 GLN 26 4.900 -2.645 2.268
203 HG2 GLN 26 HG2 GLN 26 4.984 -0.447 3.490
204 HG3 GLN 26 HG1 GLN 26 3.550 -0.980 4.369
205 HE21 GLN 26 1HE2 GLN 26 6.920 -1.402 3.897
206 HE22 GLN 26 2HE2 GLN 26 7.201 -2.456 5.241
207 H GLN 27 H GLN 27 5.419 -1.968 0.237
208 HA GLN 27 HA GLN 27 6.912 0.395 0.446
209 HB2 GLN 27 HB2 GLN 27 7.114 -1.858 -1.544
210 HB3 GLN 27 HB1 GLN 27 8.301 -0.577 -1.371
211 HG2 GLN 27 HG2 GLN 27 8.740 -1.290 0.921
212 HG3 GLN 27 HG1 GLN 27 7.548 -2.579 0.743
213 HE21 GLN 27 1HE2 GLN 27 10.640 -1.393 -0.285
214 HE22 GLN 27 2HE2 GLN 27 11.234 -2.887 -0.913
215 H GLU 28 H GLU 28 4.984 -0.843 -2.292
216 HA GLU 28 HA GLU 28 5.644 1.367 -3.935
217 HB2 GLU 28 HB2 GLU 28 3.428 -0.643 -4.239
218 HB3 GLU 28 HB1 GLU 28 3.903 0.528 -5.460
219 HG2 GLU 28 HG2 GLU 28 6.166 -0.494 -5.475
220 HG3 GLU 28 HG1 GLU 28 5.561 -1.725 -4.369
221 H CYS 29 H CYS 29 2.802 0.660 -1.952
222 HA CYS 29 HA CYS 29 1.257 2.809 -2.902
223 HB2 CYS 29 HB2 CYS 29 0.335 0.878 -1.642
224 HB3 CYS 29 HB1 CYS 29 1.135 1.465 -0.194
225 H GLU 30 H GLU 30 3.603 2.565 -0.253
226 HA GLU 30 HA GLU 30 3.120 5.235 0.596
227 HB2 GLU 30 HB2 GLU 30 5.310 3.279 1.266
228 HB3 GLU 30 HB1 GLU 30 5.193 4.893 1.959
229 HG2 GLU 30 HG2 GLU 30 3.042 4.360 2.929
230 HG3 GLU 30 HG1 GLU 30 3.078 2.768 2.177
231 H GLU 31 H GLU 31 5.389 3.703 -1.594
232 HA GLU 31 HA GLU 31 7.084 5.946 -1.939
233 HB2 GLU 31 HB2 GLU 31 7.641 3.604 -2.611
234 HB3 GLU 31 HB1 GLU 31 6.473 3.741 -3.914
235 HG2 GLU 31 HG2 GLU 31 7.790 5.593 -4.859
236 HG3 GLU 31 HG1 GLU 31 8.982 5.360 -3.583
237 H ARG 32 H ARG 32 4.179 4.820 -3.525
238 HA ARG 32 HA ARG 32 4.031 6.767 -5.553
239 HB2 ARG 32 HB2 ARG 32 2.731 4.630 -5.452
240 HB3 ARG 32 HB1 ARG 32 1.767 5.333 -4.171
241 HG2 ARG 32 HG2 ARG 32 0.490 5.550 -6.130
242 HG3 ARG 32 HG1 ARG 32 1.145 7.150 -5.784
243 HD2 ARG 32 HD2 ARG 32 2.346 5.204 -7.762
244 HD3 ARG 32 HD1 ARG 32 1.245 6.501 -8.201
245 HE ARG 32 HE ARG 32 3.123 7.897 -7.019
246 HH11 ARG 32 HH11 ARG 32 3.569 5.145 -9.226
247 HH12 ARG 32 HH12 ARG 32 4.981 5.747 -9.940
248 HH21 ARG 32 HH21 ARG 32 5.093 8.724 -8.002
249 HH22 ARG 32 HH22 ARG 32 5.873 7.849 -9.226
250 H LEU 33 H LEU 33 2.985 6.625 -2.256
251 HA LEU 33 HA LEU 33 1.335 8.952 -2.275
252 HB2 LEU 33 HB2 LEU 33 0.977 7.126 -0.735
253 HB3 LEU 33 HB1 LEU 33 2.569 7.354 -0.056
254 HG LEU 33 HG LEU 33 1.847 9.557 0.813
255 HD11 LEU 33 HD11 LEU 33 -0.855 8.686 -0.179
256 HD12 LEU 33 HD12 LEU 33 0.089 10.054 -0.778
257 HD13 LEU 33 HD13 LEU 33 -0.539 10.064 0.870
258 HD21 LEU 33 HD21 LEU 33 0.165 7.199 1.645
259 HD22 LEU 33 HD22 LEU 33 0.461 8.647 2.607
260 HD23 LEU 33 HD23 LEU 33 1.794 7.565 2.212
261 H ARG 34 H ARG 34 4.605 8.268 -1.048
262 HA ARG 34 HA ARG 34 4.849 11.089 -0.360
263 HB2 ARG 34 HB2 ARG 34 5.234 9.516 1.437
264 HB3 ARG 34 HB1 ARG 34 6.467 8.697 0.505
265 HG2 ARG 34 HG2 ARG 34 7.826 10.746 0.539
266 HG3 ARG 34 HG1 ARG 34 6.580 11.523 1.520
267 HD2 ARG 34 HD2 ARG 34 6.900 9.817 3.251
268 HD3 ARG 34 HD1 ARG 34 8.175 9.081 2.280
269 HE ARG 34 HE ARG 34 8.993 11.621 2.513
270 HH11 ARG 34 HH11 ARG 34 7.999 9.216 4.905
271 HH12 ARG 34 HH12 ARG 34 8.920 9.867 6.174
272 HH21 ARG 34 HH21 ARG 34 10.270 12.532 4.271
273 HH22 ARG 34 HH22 ARG 34 10.252 11.778 5.796
274 H ASP 35 H ASP 35 5.766 12.320 -1.816
275 HA ASP 35 HA ASP 35 8.150 11.312 -3.174
276 HB2 ASP 35 HB2 ASP 35 6.346 11.588 -4.827
277 HB3 ASP 35 HB1 ASP 35 6.081 13.241 -4.275
Start of MODEL 20
1 H PCA 1 H PGL 1 -5.980 11.234 2.386
2 HA PCA 1 HA PGL 1 -5.268 9.203 3.692
3 HB2 PCA 1 HB1 PGL 1 -6.086 9.235 5.831
4 HB3 PCA 1 HB2 PGL 1 -7.709 8.867 5.186
5 HG2 PCA 1 HG1 PGL 1 -6.620 11.452 6.103
6 HG3 PCA 1 HG2 PGL 1 -8.319 10.994 5.743
7 H LYS 2 H LYS 2 -7.728 10.151 1.785
8 HA LYS 2 HA LYS 2 -9.360 7.845 1.553
9 HB2 LYS 2 HB2 LYS 2 -8.831 10.001 -0.494
10 HB3 LYS 2 HB1 LYS 2 -10.193 8.898 -0.452
11 HG2 LYS 2 HG2 LYS 2 -11.019 9.923 1.567
12 HG3 LYS 2 HG1 LYS 2 -9.607 10.981 1.633
13 HD2 LYS 2 HD2 LYS 2 -10.251 11.971 -0.500
14 HD3 LYS 2 HD1 LYS 2 -11.663 10.914 -0.571
15 HE2 LYS 2 HE2 LYS 2 -12.509 11.925 1.488
16 HE3 LYS 2 HE1 LYS 2 -11.092 12.970 1.551
17 HZ1 LYS 2 HZ1 LYS 2 -13.108 12.967 -0.630
18 HZ2 LYS 2 HZ2 LYS 2 -11.753 13.967 -0.522
19 HZ3 LYS 2 HZ3 LYS 2 -12.986 14.117 0.607
20 H GLU 3 H GLU 3 -6.724 9.189 -0.347
21 HA GLU 3 HA GLU 3 -6.568 7.141 -2.275
22 HB2 GLU 3 HB2 GLU 3 -4.426 9.038 -1.336
23 HB3 GLU 3 HB1 GLU 3 -4.335 8.046 -2.781
24 HG2 GLU 3 HG2 GLU 3 -6.240 9.232 -3.722
25 HG3 GLU 3 HG1 GLU 3 -6.339 10.229 -2.271
26 H THR 4 H THR 4 -5.080 7.640 0.725
27 HA THR 4 HA THR 4 -3.139 5.623 0.765
28 HB THR 4 HB THR 4 -4.589 6.414 3.217
29 HG1 THR 4 HG1 THR 4 -2.918 8.363 2.056
30 HG21 THR 4 HG21 THR 4 -2.291 6.826 3.996
31 HG22 THR 4 HG22 THR 4 -1.683 6.547 2.367
32 HG23 THR 4 HG23 THR 4 -2.412 5.223 3.273
33 H GLU 5 H GLU 5 -6.478 5.817 1.939
34 HA GLU 5 HA GLU 5 -6.687 3.244 2.983
35 HB2 GLU 5 HB2 GLU 5 -8.161 5.051 3.625
36 HB3 GLU 5 HB1 GLU 5 -8.793 5.151 1.991
37 HG2 GLU 5 HG2 GLU 5 -9.810 2.995 2.200
38 HG3 GLU 5 HG1 GLU 5 -9.053 2.764 3.777
39 H ILE 6 H ILE 6 -7.822 4.539 -0.151
40 HA ILE 6 HA ILE 6 -8.808 2.050 -0.995
41 HB ILE 6 HB ILE 6 -8.842 2.963 -3.317
42 HG12 ILE 6 HG12 ILE 6 -7.651 5.407 -1.993
43 HG13 ILE 6 HG11 ILE 6 -6.858 4.404 -3.198
44 HG21 ILE 6 HG21 ILE 6 -10.001 4.705 -1.156
45 HG22 ILE 6 HG22 ILE 6 -10.728 3.253 -1.845
46 HG23 ILE 6 HG23 ILE 6 -10.520 4.694 -2.840
47 HD11 ILE 6 HD11 ILE 6 -8.513 5.094 -4.853
48 HD12 ILE 6 HD12 ILE 6 -7.683 6.482 -4.149
49 HD13 ILE 6 HD13 ILE 6 -9.319 6.078 -3.634
50 H CYS 7 H CYS 7 -5.628 3.496 -1.465
51 HA CYS 7 HA CYS 7 -4.580 1.474 -3.148
52 HB2 CYS 7 HB2 CYS 7 -3.403 3.597 -2.848
53 HB3 CYS 7 HB1 CYS 7 -3.234 3.304 -1.127
54 H ARG 8 H ARG 8 -5.017 1.623 0.338
55 HA ARG 8 HA ARG 8 -3.641 -0.808 0.808
56 HB2 ARG 8 HB2 ARG 8 -3.966 0.707 2.668
57 HB3 ARG 8 HB1 ARG 8 -5.714 0.631 2.483
58 HG2 ARG 8 HG2 ARG 8 -4.983 -0.714 4.378
59 HG3 ARG 8 HG1 ARG 8 -5.675 -1.741 3.120
60 HD2 ARG 8 HD2 ARG 8 -3.371 -2.238 2.341
61 HD3 ARG 8 HD1 ARG 8 -2.749 -1.294 3.693
62 HE ARG 8 HE ARG 8 -4.380 -3.733 4.016
63 HH11 ARG 8 HH11 ARG 8 -1.629 -1.705 5.010
64 HH12 ARG 8 HH12 ARG 8 -1.126 -2.765 6.230
65 HH21 ARG 8 HH21 ARG 8 -3.665 -5.175 5.670
66 HH22 ARG 8 HH22 ARG 8 -2.293 -4.774 6.620
67 H GLN 9 H GLN 9 -7.068 0.044 0.426
68 HA GLN 9 HA GLN 9 -8.225 -2.464 0.781
69 HB2 GLN 9 HB2 GLN 9 -9.089 -0.315 -1.145
70 HB3 GLN 9 HB1 GLN 9 -10.071 -1.690 -0.670
71 HG2 GLN 9 HG2 GLN 9 -10.038 -0.880 1.646
72 HG3 GLN 9 HG1 GLN 9 -9.100 0.519 1.125
73 HE21 GLN 9 1HE2 GLN 9 -10.650 0.641 -1.441
74 HE22 GLN 9 2HE2 GLN 9 -12.138 1.367 -0.996
75 H TRP 10 H TRP 10 -6.967 -1.026 -2.182
76 HA TRP 10 HA TRP 10 -7.544 -3.004 -3.983
77 HB2 TRP 10 HB2 TRP 10 -5.426 -0.953 -3.769
78 HB3 TRP 10 HB1 TRP 10 -5.182 -2.140 -5.020
79 HD1 TRP 10 HD TRP 10 -7.042 1.000 -4.234
80 HE1 TRP 10 HE1 TRP 10 -8.606 1.640 -6.198
81 HE3 TRP 10 3HE TRP 10 -6.783 -3.332 -6.913
82 HZ2 TRP 10 HZ2 TRP 10 -9.580 0.457 -8.552
83 HZ3 TRP 10 HZ3 TRP 10 -8.058 -3.504 -9.011
84 HH2 TRP 10 HH TRP 10 -9.427 -1.648 -9.811
85 H CYS 11 H CYS 11 -4.669 -2.820 -1.939
86 HA CYS 11 HA CYS 11 -3.774 -5.392 -2.819
87 HB2 CYS 11 HB2 CYS 11 -2.759 -3.449 -0.787
88 HB3 CYS 11 HB1 CYS 11 -2.061 -5.059 -0.953
89 H GLN 12 H GLN 12 -5.750 -4.235 -0.261
90 HA GLN 12 HA GLN 12 -5.419 -6.400 1.537
91 HB2 GLN 12 HB2 GLN 12 -6.369 -4.106 2.066
92 HB3 GLN 12 HB1 GLN 12 -7.846 -4.622 1.264
93 HG2 GLN 12 HG2 GLN 12 -8.080 -4.861 3.651
94 HG3 GLN 12 HG1 GLN 12 -8.066 -6.450 2.886
95 HE21 GLN 12 1HE2 GLN 12 -7.433 -7.420 4.816
96 HE22 GLN 12 2HE2 GLN 12 -5.807 -7.294 5.405
97 H VAL 13 H VAL 13 -7.519 -5.725 -1.181
98 HA VAL 13 HA VAL 13 -9.037 -8.154 -0.857
99 HB VAL 13 HB VAL 13 -8.892 -6.256 -3.233
100 HG11 VAL 13 HG11 VAL 13 -10.922 -8.405 -2.605
101 HG12 VAL 13 HG12 VAL 13 -9.717 -8.461 -3.890
102 HG13 VAL 13 3HG1 VAL 13 -11.011 -7.265 -3.949
103 HG21 VAL 13 HG21 VAL 13 -11.035 -5.375 -2.400
104 HG22 VAL 13 HG22 VAL 13 -9.716 -5.125 -1.256
105 HG23 VAL 13 HG23 VAL 13 -10.890 -6.410 -0.978
106 H MET 14 H MET 14 -6.294 -7.022 -2.648
107 HA MET 14 HA MET 14 -5.947 -9.073 -4.530
108 HB2 MET 14 HB2 MET 14 -4.744 -6.916 -4.552
109 HB3 MET 14 HB1 MET 14 -3.887 -7.406 -3.102
110 HG2 MET 14 HG2 MET 14 -2.858 -9.246 -4.362
111 HG3 MET 14 HG1 MET 14 -3.675 -8.660 -5.813
112 HE1 MET 14 HE1 MET 14 0.062 -7.667 -6.427
113 HE2 MET 14 HE2 MET 14 -1.337 -8.519 -7.080
114 HE3 MET 14 3HE MET 14 -0.539 -9.118 -5.625
115 H LYS 15 H LYS 15 -4.370 -8.640 -1.356
116 HA LYS 15 HA LYS 15 -4.313 -11.496 -0.964
117 HB2 LYS 15 HB2 LYS 15 -1.795 -9.804 -1.006
118 HB3 LYS 15 HB1 LYS 15 -1.881 -11.367 -0.221
119 HG2 LYS 15 HG2 LYS 15 -2.317 -10.877 -3.171
120 HG3 LYS 15 HG1 LYS 15 -0.823 -11.471 -2.445
121 HD2 LYS 15 HD2 LYS 15 -2.098 -13.421 -1.567
122 HD3 LYS 15 HD1 LYS 15 -3.517 -12.833 -2.426
123 HE2 LYS 15 HE2 LYS 15 -0.899 -13.568 -3.718
124 HE3 LYS 15 HE1 LYS 15 -2.301 -14.622 -3.634
125 HZ1 LYS 15 HZ1 LYS 15 -2.171 -13.525 -5.765
126 HZ2 LYS 15 HZ2 LYS 15 -2.141 -12.016 -5.087
127 HZ3 LYS 15 HZ3 LYS 15 -3.537 -12.959 -4.970
128 HA PRO 16 HA PRO 16 -5.428 -9.127 2.778
129 HB2 PRO 16 HB2 PRO 16 -7.059 -11.087 3.778
130 HB3 PRO 16 HB1 PRO 16 -7.607 -9.823 2.673
131 HG2 PRO 16 HG2 PRO 16 -6.913 -12.665 2.104
132 HG3 PRO 16 HG1 PRO 16 -8.195 -11.663 1.407
133 HD2 PRO 16 HD2 PRO 16 -5.859 -12.215 0.137
134 HD3 PRO 16 HD1 PRO 16 -6.783 -10.724 -0.140
135 H GLN 17 H GLN 17 -3.924 -9.167 4.277
136 HA GLN 17 HA GLN 17 -2.442 -9.827 5.862
137 HB2 GLN 17 HB2 GLN 17 -4.092 -12.366 5.851
138 HB3 GLN 17 HB1 GLN 17 -2.866 -11.977 7.052
139 HG2 GLN 17 HG2 GLN 17 -4.143 -10.091 7.813
140 HG3 GLN 17 HG1 GLN 17 -5.313 -10.322 6.517
141 HE21 GLN 17 1HE2 GLN 17 -6.982 -10.525 7.956
142 HE22 GLN 17 2HE2 GLN 17 -7.221 -11.940 8.910
143 H GLY 18 H GLY 18 -1.862 -10.162 3.126
144 HA2 GLY 18 HA2 GLY 18 -0.554 -12.665 2.694
145 HA3 GLY 18 HA1 GLY 18 -0.466 -11.245 1.659
146 H GLY 19 H GLY 19 1.717 -12.724 1.984
147 HA2 GLY 19 HA2 GLY 19 3.331 -11.419 4.033
148 HA3 GLY 19 HA1 GLY 19 3.755 -12.873 3.139
149 H GLU 20 H GLU 20 4.569 -12.751 1.152
150 HA GLU 20 HA GLU 20 6.441 -10.812 0.552
151 HB2 GLU 20 HB2 GLU 20 5.056 -12.449 -1.576
152 HB3 GLU 20 HB1 GLU 20 6.663 -11.767 -1.647
153 HG2 GLU 20 HG2 GLU 20 6.959 -14.069 -1.342
154 HG3 GLU 20 HG1 GLU 20 7.253 -13.364 0.245
155 H GLU 21 H GLU 21 3.253 -11.240 -0.861
156 HA GLU 21 HA GLU 21 3.480 -9.098 -2.687
157 HB2 GLU 21 HB2 GLU 21 0.973 -10.426 -1.690
158 HB3 GLU 21 HB1 GLU 21 1.146 -9.487 -3.167
159 HG2 GLU 21 HG2 GLU 21 2.502 -12.102 -2.561
160 HG3 GLU 21 HG1 GLU 21 1.120 -11.877 -3.627
161 H GLN 22 H GLN 22 2.191 -9.323 0.571
162 HA GLN 22 HA GLN 22 0.978 -6.736 0.375
163 HB2 GLN 22 HB2 GLN 22 0.008 -8.385 1.898
164 HB3 GLN 22 HB1 GLN 22 1.497 -8.419 2.832
165 HG2 GLN 22 HG2 GLN 22 1.182 -6.072 3.423
166 HG3 GLN 22 HG1 GLN 22 -0.305 -6.036 2.487
167 HE21 GLN 22 1HE2 GLN 22 0.244 -5.590 5.304
168 HE22 GLN 22 2HE2 GLN 22 -0.783 -6.658 6.180
169 H ARG 23 H ARG 23 4.013 -8.030 1.652
170 HA ARG 23 HA ARG 23 5.019 -5.686 2.799
171 HB2 ARG 23 HB2 ARG 23 5.934 -8.096 2.891
172 HB3 ARG 23 HB1 ARG 23 6.613 -7.790 1.307
173 HG2 ARG 23 HG2 ARG 23 7.262 -6.160 3.733
174 HG3 ARG 23 HG1 ARG 23 8.166 -7.598 3.258
175 HD2 ARG 23 HD2 ARG 23 8.774 -6.494 1.139
176 HD3 ARG 23 HD1 ARG 23 7.846 -5.072 1.614
177 HE ARG 23 HE ARG 23 9.586 -5.477 3.654
178 HH11 ARG 23 HH11 ARG 23 9.986 -4.846 0.160
179 HH12 ARG 23 HH12 ARG 23 11.509 -4.122 0.337
180 HH21 ARG 23 HH21 ARG 23 11.716 -4.450 3.843
181 HH22 ARG 23 HH22 ARG 23 12.499 -3.884 2.459
182 H ARG 24 H ARG 24 5.179 -7.028 -0.429
183 HA ARG 24 HA ARG 24 6.561 -5.041 -1.803
184 HB2 ARG 24 HB2 ARG 24 5.933 -7.213 -2.764
185 HB3 ARG 24 HB1 ARG 24 4.247 -6.743 -2.742
186 HG2 ARG 24 HG2 ARG 24 5.162 -6.595 -4.974
187 HG3 ARG 24 HG1 ARG 24 4.707 -4.998 -4.385
188 HD2 ARG 24 HD2 ARG 24 6.863 -4.966 -5.556
189 HD3 ARG 24 HD1 ARG 24 7.023 -4.505 -3.862
190 HE ARG 24 HE ARG 24 7.485 -7.180 -3.883
191 HH11 ARG 24 HH11 ARG 24 8.961 -4.400 -5.524
192 HH12 ARG 24 HH12 ARG 24 10.493 -5.130 -5.663
193 HH21 ARG 24 HH21 ARG 24 9.611 -8.136 -4.032
194 HH22 ARG 24 HH22 ARG 24 10.871 -7.298 -4.794
195 H CYS 25 H CYS 25 3.057 -5.413 -1.346
196 HA CYS 25 HA CYS 25 2.234 -3.079 -2.535
197 HB2 CYS 25 HB2 CYS 25 1.025 -4.802 -0.439
198 HB3 CYS 25 HB1 CYS 25 0.267 -3.270 -0.854
199 H GLN 26 H GLN 26 3.298 -3.497 0.825
200 HA GLN 26 HA GLN 26 2.607 -0.940 1.724
201 HB2 GLN 26 HB2 GLN 26 3.389 -2.744 3.218
202 HB3 GLN 26 HB1 GLN 26 4.993 -2.628 2.509
203 HG2 GLN 26 HG2 GLN 26 5.141 -0.300 3.302
204 HG3 GLN 26 HG1 GLN 26 3.581 -0.500 4.096
205 HE21 GLN 26 1HE2 GLN 26 3.447 -1.834 5.882
206 HE22 GLN 26 2HE2 GLN 26 4.819 -2.321 6.787
207 H GLN 27 H GLN 27 5.646 -2.148 0.389
208 HA GLN 27 HA GLN 27 7.038 0.284 0.449
209 HB2 GLN 27 HB2 GLN 27 7.459 -2.142 -1.283
210 HB3 GLN 27 HB1 GLN 27 8.601 -0.813 -1.140
211 HG2 GLN 27 HG2 GLN 27 7.708 -2.631 1.090
212 HG3 GLN 27 HG1 GLN 27 9.255 -2.700 0.249
213 HE21 GLN 27 1HE2 GLN 27 7.362 -1.034 2.619
214 HE22 GLN 27 2HE2 GLN 27 8.616 -0.007 3.188
215 H GLU 28 H GLU 28 5.190 -1.243 -2.150
216 HA GLU 28 HA GLU 28 5.712 0.769 -4.054
217 HB2 GLU 28 HB2 GLU 28 3.421 -1.157 -3.840
218 HB3 GLU 28 HB1 GLU 28 3.665 -0.086 -5.204
219 HG2 GLU 28 HG2 GLU 28 5.881 -1.187 -5.554
220 HG3 GLU 28 HG1 GLU 28 5.424 -2.350 -4.304
221 H CYS 29 H CYS 29 3.086 0.371 -1.709
222 HA CYS 29 HA CYS 29 1.536 2.486 -2.758
223 HB2 CYS 29 HB2 CYS 29 0.701 0.584 -1.292
224 HB3 CYS 29 HB1 CYS 29 1.415 1.430 0.071
225 H GLU 30 H GLU 30 3.842 2.312 -0.014
226 HA GLU 30 HA GLU 30 3.414 5.005 0.672
227 HB2 GLU 30 HB2 GLU 30 5.754 3.228 1.346
228 HB3 GLU 30 HB1 GLU 30 5.497 4.834 2.010
229 HG2 GLU 30 HG2 GLU 30 3.261 3.954 2.837
230 HG3 GLU 30 HG1 GLU 30 3.888 2.350 2.459
231 H GLU 31 H GLU 31 5.477 3.518 -1.669
232 HA GLU 31 HA GLU 31 7.134 5.823 -2.028
233 HB2 GLU 31 HB2 GLU 31 7.796 3.491 -2.633
234 HB3 GLU 31 HB1 GLU 31 6.626 3.537 -3.938
235 HG2 GLU 31 HG2 GLU 31 7.862 5.349 -4.997
236 HG3 GLU 31 HG1 GLU 31 9.026 5.336 -3.673
237 H ARG 32 H ARG 32 4.142 4.659 -3.366
238 HA ARG 32 HA ARG 32 4.087 6.489 -5.567
239 HB2 ARG 32 HB2 ARG 32 2.954 4.311 -5.702
240 HB3 ARG 32 HB1 ARG 32 1.878 4.784 -4.403
241 HG2 ARG 32 HG2 ARG 32 0.775 4.942 -6.570
242 HG3 ARG 32 HG1 ARG 32 0.927 6.534 -5.823
243 HD2 ARG 32 HD2 ARG 32 2.829 7.038 -7.231
244 HD3 ARG 32 HD1 ARG 32 2.775 5.418 -7.930
245 HE ARG 32 HE ARG 32 0.318 6.412 -8.431
246 HH11 ARG 32 HH11 ARG 32 3.558 7.712 -9.066
247 HH12 ARG 32 HH12 ARG 32 3.118 8.473 -10.516
248 HH21 ARG 32 HH21 ARG 32 -0.283 7.477 -10.423
249 HH22 ARG 32 HH22 ARG 32 0.888 8.342 -11.304
250 H LEU 33 H LEU 33 2.225 6.248 -2.522
251 HA LEU 33 HA LEU 33 1.036 8.812 -3.034
252 HB2 LEU 33 HB2 LEU 33 0.881 6.983 -0.640
253 HB3 LEU 33 HB1 LEU 33 0.110 8.549 -0.673
254 HG LEU 33 HG LEU 33 -1.564 6.943 -1.093
255 HD11 LEU 33 HD11 LEU 33 -2.376 7.484 -3.311
256 HD12 LEU 33 HD12 LEU 33 -0.814 8.182 -3.717
257 HD13 LEU 33 HD13 LEU 33 -1.798 8.899 -2.437
258 HD21 LEU 33 HD21 LEU 33 -0.186 5.038 -1.727
259 HD22 LEU 33 HD22 LEU 33 0.164 5.794 -3.281
260 HD23 LEU 33 HD23 LEU 33 -1.481 5.287 -2.897
261 H ARG 34 H ARG 34 3.351 7.551 -0.699
262 HA ARG 34 HA ARG 34 4.876 8.461 0.578
263 HB2 ARG 34 HB2 ARG 34 5.918 8.932 -1.550
264 HB3 ARG 34 HB1 ARG 34 5.043 10.451 -1.676
265 HG2 ARG 34 HG2 ARG 34 6.310 11.410 0.085
266 HG3 ARG 34 HG1 ARG 34 7.046 9.861 0.493
267 HD2 ARG 34 HD2 ARG 34 7.383 11.270 -2.153
268 HD3 ARG 34 HD1 ARG 34 8.529 11.376 -0.817
269 HE ARG 34 HE ARG 34 8.328 8.747 -1.145
270 HH11 ARG 34 HH11 ARG 34 8.899 11.306 -3.558
271 HH12 ARG 34 HH12 ARG 34 9.825 10.315 -4.571
272 HH21 ARG 34 HH21 ARG 34 9.683 7.424 -2.565
273 HH22 ARG 34 HH22 ARG 34 10.326 8.105 -3.980
274 H ASP 35 H ASP 35 3.535 8.824 2.196
275 HA ASP 35 HA ASP 35 3.247 11.595 3.013
276 HB2 ASP 35 HB2 ASP 35 1.070 11.152 2.065
277 HB3 ASP 35 HB1 ASP 35 0.971 9.608 2.899