Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2152 | 1bh1 RC | 4194 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 3H GLY 1 4.591 0.185 0.185
2 2H GLY 1 2H GLY 1 5.032 1.360 1.360
3 3H GLY 1 1H GLY 1 5.453 -0.271 -0.271
4 1HA GLY 1 2HA GLY 1 3.495 -0.657 -0.657
5 2HA GLY 1 1HA GLY 1 3.077 1.056 1.056
6 H ILE 2 H ILE 2 0.925 -0.615 -0.615
7 HA ILE 2 HA ILE 2 0.769 -1.070 -1.070
8 HB ILE 2 HB ILE 2 -1.054 -2.669 -2.669
9 1HG1 ILE 2 2HG1 ILE 2 -0.320 -2.097 -2.097
10 2HG1 ILE 2 1HG1 ILE 2 -1.849 -1.706 -1.706
11 1HG2 ILE 2 3HG2 ILE 2 1.435 -3.289 -3.289
12 2HG2 ILE 2 2HG2 ILE 2 1.473 -3.291 -3.291
13 3HG2 ILE 2 1HG2 ILE 2 0.446 -4.419 -4.419
14 1HD1 ILE 2 2HD1 ILE 2 -1.822 -4.339 -4.339
15 2HD1 ILE 2 1HD1 ILE 2 -0.761 -4.381 -4.381
16 3HD1 ILE 2 3HD1 ILE 2 -2.388 -3.750 -3.750
17 H GLY 3 H GLY 3 -0.522 0.874 0.874
18 1HA GLY 3 2HA GLY 3 -3.075 1.555 1.555
19 2HA GLY 3 1HA GLY 3 -1.864 2.820 2.820
20 H ALA 4 H ALA 4 -0.639 2.412 2.412
21 HA ALA 4 HA ALA 4 -2.697 3.552 3.552
22 1HB ALA 4 3HB ALA 4 -0.361 4.639 4.639
23 2HB ALA 4 2HB ALA 4 0.282 3.294 3.294
24 3HB ALA 4 1HB ALA 4 -0.869 4.394 4.394
25 H VAL 5 H VAL 5 -0.378 0.921 0.921
26 HA VAL 5 HA VAL 5 -0.666 -0.237 -0.237
27 HB VAL 5 HB VAL 5 -0.435 -1.770 -1.770
28 1HG1 VAL 5 2HG1 VAL 5 0.464 -2.435 -2.435
29 2HG1 VAL 5 1HG1 VAL 5 0.941 -3.360 -3.360
30 3HG1 VAL 5 3HG1 VAL 5 -0.745 -3.278 -3.278
31 1HG2 VAL 5 3HG2 VAL 5 1.782 -0.491 -0.491
32 2HG2 VAL 5 2HG2 VAL 5 1.318 0.068 0.068
33 3HG2 VAL 5 1HG2 VAL 5 2.056 -1.503 -1.503
34 H LEU 6 H LEU 6 -2.780 -0.484 -0.484
35 HA LEU 6 HA LEU 6 -4.598 -2.358 -2.358
36 1HB LEU 6 2HB LEU 6 -5.275 -0.920 -0.920
37 2HB LEU 6 1HB LEU 6 -5.877 -2.448 -2.448
38 HG LEU 6 HG LEU 6 -3.032 -1.919 -1.919
39 1HD1 LEU 6 2HD1 LEU 6 -5.458 -3.298 -3.298
40 2HD1 LEU 6 1HD1 LEU 6 -3.842 -3.565 -3.565
41 3HD1 LEU 6 3HD1 LEU 6 -4.540 -1.958 -1.958
42 1HD2 LEU 6 1HD2 LEU 6 -4.373 -4.414 -4.414
43 2HD2 LEU 6 3HD2 LEU 6 -2.874 -3.672 -3.672
44 3HD2 LEU 6 2HD2 LEU 6 -2.941 -4.514 -4.514
45 H LYS 7 H LYS 7 -4.106 0.857 0.857
46 HA LYS 7 HA LYS 7 -6.925 1.650 1.650
47 1HB LYS 7 2HB LYS 7 -5.205 2.918 2.918
48 2HB LYS 7 1HB LYS 7 -4.530 3.497 3.497
49 1HG LYS 7 2HG LYS 7 -7.309 3.936 3.936
50 2HG LYS 7 1HG LYS 7 -7.039 4.299 4.299
51 1HD LYS 7 2HD LYS 7 -5.332 5.447 5.447
52 2HD LYS 7 1HD LYS 7 -6.796 6.230 6.230
53 1HE LYS 7 2HE LYS 7 -5.892 6.480 6.480
54 2HE LYS 7 1HE LYS 7 -4.450 5.574 5.574
55 1HZ LYS 7 1HZ LYS 7 -4.728 7.662 7.662
56 2HZ LYS 7 3HZ LYS 7 -4.908 8.332 8.332
57 3HZ LYS 7 2HZ LYS 7 -3.513 7.453 7.453
58 H VAL 8 H VAL 8 -4.230 0.563 0.563
59 HA VAL 8 HA VAL 8 -4.634 2.157 2.157
60 HB VAL 8 HB VAL 8 -2.797 -0.208 -0.208
61 1HG1 VAL 8 1HG1 VAL 8 -3.189 0.060 0.060
62 2HG1 VAL 8 3HG1 VAL 8 -2.552 1.696 1.696
63 3HG1 VAL 8 2HG1 VAL 8 -1.520 0.312 0.312
64 1HG2 VAL 8 3HG2 VAL 8 -2.636 2.583 2.583
65 2HG2 VAL 8 2HG2 VAL 8 -1.534 1.281 1.281
66 3HG2 VAL 8 1HG2 VAL 8 -1.296 2.229 2.229
67 H LEU 9 H LEU 9 -5.132 -1.100 -1.100
68 HA LEU 9 HA LEU 9 -6.435 -1.908 -1.908
69 1HB LEU 9 2HB LEU 9 -6.522 -3.814 -3.814
70 2HB LEU 9 1HB LEU 9 -5.983 -4.067 -4.067
71 HG LEU 9 HG LEU 9 -4.311 -2.644 -2.644
72 1HD1 LEU 9 3HD1 LEU 9 -4.182 -5.497 -5.497
73 2HD1 LEU 9 2HD1 LEU 9 -3.006 -4.720 -4.720
74 3HD1 LEU 9 1HD1 LEU 9 -4.654 -4.951 -4.951
75 1HD2 LEU 9 1HD2 LEU 9 -3.661 -3.665 -3.665
76 2HD2 LEU 9 3HD2 LEU 9 -3.622 -1.994 -1.994
77 3HD2 LEU 9 2HD2 LEU 9 -2.441 -3.126 -3.126
78 H THR 10 H THR 10 -7.646 0.066 0.066
79 HA THR 10 HA THR 10 -10.209 -1.407 -1.407
80 HB THR 10 HB THR 10 -10.282 0.807 0.807
81 HG1 THR 10 HG1 THR 10 -7.829 -0.402 -0.402
82 1HG2 THR 10 1HG2 THR 10 -9.315 -2.097 -2.097
83 2HG2 THR 10 3HG2 THR 10 -9.489 -0.977 -0.977
84 3HG2 THR 10 2HG2 THR 10 -10.893 -1.453 -1.453
85 H THR 11 H THR 11 -8.856 1.391 1.391
86 HA THR 11 HA THR 11 -11.626 2.327 2.327
87 HB THR 11 HB THR 11 -11.088 4.332 4.332
88 HG1 THR 11 HG1 THR 11 -10.202 4.714 4.714
89 1HG2 THR 11 3HG2 THR 11 -9.454 3.110 3.110
90 2HG2 THR 11 2HG2 THR 11 -8.188 3.386 3.386
91 3HG2 THR 11 1HG2 THR 11 -8.958 4.743 4.743
92 H GLY 12 H GLY 12 -8.463 3.195 3.195
93 1HA GLY 12 2HA GLY 12 -9.282 2.173 2.173
94 2HA GLY 12 1HA GLY 12 -8.396 3.688 3.688
95 H LEU 13 H LEU 13 -6.254 3.602 3.602
96 HA LEU 13 HA LEU 13 -4.673 1.455 1.455
97 1HB LEU 13 2HB LEU 13 -5.467 1.235 1.235
98 2HB LEU 13 1HB LEU 13 -3.722 1.411 1.411
99 HG LEU 13 HG LEU 13 -5.124 -0.536 -0.536
100 1HD1 LEU 13 3HD1 LEU 13 -4.398 -1.138 -1.138
101 2HD1 LEU 13 2HD1 LEU 13 -4.897 -2.315 -2.315
102 3HD1 LEU 13 1HD1 LEU 13 -6.020 -1.082 -1.082
103 1HD2 LEU 13 3HD2 LEU 13 -2.547 0.121 0.121
104 2HD2 LEU 13 2HD2 LEU 13 -2.991 -1.568 -1.568
105 3HD2 LEU 13 1HD2 LEU 13 -2.469 -0.907 -0.907
106 HA PRO 14 HA DPR 14 -1.872 4.736 4.736
107 1HB PRO 14 2HB DPR 14 -2.181 5.850 5.850
108 2HB PRO 14 1HB DPR 14 -3.745 6.506 6.506
109 1HG PRO 14 2HG DPR 14 -3.128 3.777 3.777
110 2HG PRO 14 1HG DPR 14 -4.514 4.809 4.809
111 1HD PRO 14 2HD DPR 14 -4.757 2.692 2.692
112 2HD PRO 14 1HD DPR 14 -5.606 4.203 4.203
113 H ALA 15 H ALA 15 -1.882 5.310 5.310
114 HA ALA 15 HA ALA 15 -3.008 8.022 8.022
115 1HB ALA 15 1HB ALA 15 -0.560 7.737 7.737
116 2HB ALA 15 3HB ALA 15 -0.793 6.535 6.535
117 3HB ALA 15 2HB ALA 15 -1.275 8.204 8.204
118 H LEU 16 H LEU 16 -3.501 4.781 4.781
119 HA LEU 16 HA LEU 16 -4.131 4.814 4.814
120 1HB LEU 16 2HB LEU 16 -5.293 3.494 3.494
121 2HB LEU 16 1HB LEU 16 -6.267 3.414 3.414
122 HG LEU 16 HG LEU 16 -4.601 1.566 1.566
123 1HD1 LEU 16 3HD1 LEU 16 -5.639 2.249 2.249
124 2HD1 LEU 16 2HD1 LEU 16 -4.060 2.924 2.924
125 3HD1 LEU 16 1HD1 LEU 16 -4.229 1.211 1.211
126 1HD2 LEU 16 2HD2 LEU 16 -2.613 2.847 2.847
127 2HD2 LEU 16 1HD2 LEU 16 -2.251 1.842 1.842
128 3HD2 LEU 16 3HD2 LEU 16 -2.469 3.562 3.562
129 H ILE 17 H ILE 17 -6.136 6.235 6.235
130 HA ILE 17 HA ILE 17 -8.463 6.813 6.813
131 HB ILE 17 HB ILE 17 -7.426 8.989 8.989
132 1HG1 ILE 17 2HG1 ILE 17 -8.339 7.410 7.410
133 2HG1 ILE 17 1HG1 ILE 17 -7.943 6.104 6.104
134 1HG2 ILE 17 1HG2 ILE 17 -9.723 8.984 8.984
135 2HG2 ILE 17 3HG2 ILE 17 -10.088 7.533 7.533
136 3HG2 ILE 17 2HG2 ILE 17 -9.722 9.037 9.037
137 1HD1 ILE 17 3HD1 ILE 17 -5.674 7.871 7.871
138 2HD1 ILE 17 2HD1 ILE 17 -6.165 7.747 7.747
139 3HD1 ILE 17 1HD1 ILE 17 -5.758 6.302 6.302
140 H SER 18 H SER 18 -5.403 8.520 8.520
141 HA SER 18 HA SER 18 -6.485 10.470 10.470
142 1HB SER 18 2HB SER 18 -4.273 10.540 10.540
143 2HB SER 18 1HB SER 18 -3.839 11.233 11.233
144 HG SER 18 HG SER 18 -5.725 12.059 12.059
145 H TRP 19 H TRP 19 -5.354 7.569 7.569
146 HA TRP 19 HA TRP 19 -3.589 7.843 7.843
147 1HB TRP 19 2HB TRP 19 -3.254 6.282 6.282
148 2HB TRP 19 1HB TRP 19 -4.023 5.109 5.109
149 HD1 TRP 19 HD1 TRP 19 -0.781 5.760 5.760
150 HE1 TRP 19 HE1 TRP 19 1.095 5.170 5.170
151 HE3 TRP 19 HE3 TRP 19 -3.521 5.508 5.508
152 HZ2 TRP 19 HZ2 TRP 19 1.355 4.680 4.680
153 HZ3 TRP 19 HZ3 TRP 19 -2.365 4.959 4.959
154 HH2 TRP 19 HH2 TRP 19 0.069 4.544 4.544
155 H ILE 20 H ILE 20 -6.157 5.580 5.580
156 HA ILE 20 HA ILE 20 -6.840 5.163 5.163
157 HB ILE 20 HB ILE 20 -7.153 3.779 3.779
158 1HG1 ILE 20 2HG1 ILE 20 -7.085 1.762 1.762
159 2HG1 ILE 20 1HG1 ILE 20 -6.988 2.839 2.839
160 1HG2 ILE 20 3HG2 ILE 20 -9.394 3.825 3.825
161 2HG2 ILE 20 2HG2 ILE 20 -9.201 2.533 2.533
162 3HG2 ILE 20 1HG2 ILE 20 -9.479 4.191 4.191
163 1HD1 ILE 20 3HD1 ILE 20 -5.002 3.326 3.326
164 2HD1 ILE 20 2HD1 ILE 20 -4.792 1.859 1.859
165 3HD1 ILE 20 1HD1 ILE 20 -4.770 3.412 3.412
166 H LYS 21 H LYS 21 -8.380 6.436 6.436
167 HA LYS 21 HA LYS 21 -10.837 6.967 6.967
168 1HB LYS 21 2HB LYS 21 -9.937 7.270 7.270
169 2HB LYS 21 1HB LYS 21 -10.328 8.897 8.897
170 1HG LYS 21 2HG LYS 21 -12.557 8.236 8.236
171 2HG LYS 21 1HG LYS 21 -12.192 6.531 6.531
172 1HD LYS 21 2HD LYS 21 -11.937 6.786 6.786
173 2HD LYS 21 1HD LYS 21 -12.080 8.529 8.529
174 1HE LYS 21 2HE LYS 21 -14.336 6.974 6.974
175 2HE LYS 21 1HE LYS 21 -14.193 6.783 6.783
176 1HZ LYS 21 2HZ LYS 21 -13.904 9.529 9.529
177 2HZ LYS 21 1HZ LYS 21 -15.231 8.918 8.918
178 3HZ LYS 21 3HZ LYS 21 -15.145 8.779 8.779
179 H ARG 22 H ARG 22 -7.795 8.625 8.625
180 HA ARG 22 HA ARG 22 -8.859 11.116 11.116
181 1HB ARG 22 2HB ARG 22 -6.657 10.605 10.605
182 2HB ARG 22 1HB ARG 22 -5.922 10.240 10.240
183 1HG ARG 22 2HG ARG 22 -6.836 12.544 12.544
184 2HG ARG 22 1HG ARG 22 -7.304 12.840 12.840
185 1HD ARG 22 2HD ARG 22 -4.586 12.121 12.121
186 2HD ARG 22 1HD ARG 22 -4.621 13.015 13.015
187 HE ARG 22 HE ARG 22 -5.988 14.754 14.754
188 1HH1 ARG 22 2HH1 ARG 22 -5.291 13.178 13.178
189 2HH1 ARG 22 1HH1 ARG 22 -3.956 14.041 14.041
190 1HH2 ARG 22 1HH2 ARG 22 -3.448 15.668 15.668
191 2HH2 ARG 22 2HH2 ARG 22 -2.796 15.560 15.560
192 H LYS 23 H LYS 23 -7.664 8.136 8.136
193 HA LYS 23 HA LYS 23 -7.547 9.145 9.145
194 1HB LYS 23 2HB LYS 23 -5.871 7.483 7.483
195 2HB LYS 23 1HB LYS 23 -7.123 6.277 6.277
196 1HG LYS 23 2HG LYS 23 -6.845 7.653 7.653
197 2HG LYS 23 1HG LYS 23 -5.270 7.168 7.168
198 1HD LYS 23 2HD LYS 23 -6.019 5.257 5.257
199 2HD LYS 23 1HD LYS 23 -6.233 4.816 4.816
200 1HE LYS 23 2HE LYS 23 -8.264 4.208 4.208
201 2HE LYS 23 1HE LYS 23 -8.652 5.522 5.522
202 1HZ LYS 23 1HZ LYS 23 -7.743 6.595 6.595
203 2HZ LYS 23 3HZ LYS 23 -8.973 5.471 5.471
204 3HZ LYS 23 2HZ LYS 23 -9.239 6.775 6.775
205 H ARG 24 H ARG 24 -9.739 7.398 7.398
206 HA ARG 24 HA ARG 24 -11.346 6.503 6.503
207 1HB ARG 24 2HB ARG 24 -10.816 5.240 5.240
208 2HB ARG 24 1HB ARG 24 -12.339 5.987 5.987
209 1HG ARG 24 2HG ARG 24 -12.496 4.731 4.731
210 2HG ARG 24 1HG ARG 24 -11.861 3.585 3.585
211 1HD ARG 24 2HD ARG 24 -13.830 3.565 3.565
212 2HD ARG 24 1HD ARG 24 -14.315 5.177 5.177
213 HE ARG 24 HE ARG 24 -14.863 4.177 4.177
214 1HH1 ARG 24 1HH2 ARG 24 -13.923 1.636 1.636
215 2HH1 ARG 24 2HH2 ARG 24 -15.123 0.557 0.557
216 1HH2 ARG 24 2HH1 ARG 24 -16.683 3.231 3.231
217 2HH2 ARG 24 1HH1 ARG 24 -16.810 1.540 1.540
218 H GLN 25 H GLN 25 -11.649 8.776 8.776
219 HA GLN 25 HA GLN 25 -14.338 9.515 9.515
220 1HB GLN 25 2HB GLN 25 -12.922 10.102 10.102
221 2HB GLN 25 1HB GLN 25 -14.362 10.954 10.954
222 1HG GLN 25 2HG GLN 25 -15.281 8.405 8.405
223 2HG GLN 25 1HG GLN 25 -14.073 8.069 8.069
224 1HE2 GLN 25 2HE2 GLN 25 -17.354 10.293 10.293
225 2HE2 GLN 25 1HE2 GLN 25 -16.945 10.154 10.154
226 H GLN 26 H GLN 26 -12.919 10.146 10.146
227 HA GLN 26 HA GLN 26 -12.020 12.997 12.997
228 1HB GLN 26 2HB GLN 26 -10.216 11.145 11.145
229 2HB GLN 26 1HB GLN 26 -11.011 10.986 10.986
230 1HG GLN 26 2HG GLN 26 -9.558 12.607 12.607
231 2HG GLN 26 1HG GLN 26 -10.637 13.740 13.740
232 1HE2 GLN 26 2HE2 GLN 26 -8.400 14.106 14.106
233 2HE2 GLN 26 1HE2 GLN 26 -10.069 14.030 14.030
234 1HN NH2 27 1HT GLN 26 -14.724 12.317 12.317
235 2HN NH2 27 2HT GLN 26 -15.133 12.698 12.698
Start of MODEL 2
1 1H GLY 1 2H GLY 1 5.050 -2.134 -2.134
2 2H GLY 1 1H GLY 1 6.230 -0.998 -0.998
3 3H GLY 1 3H GLY 1 6.464 -2.654 -2.654
4 1HA GLY 1 2HA GLY 1 5.393 -2.442 -2.442
5 2HA GLY 1 1HA GLY 1 5.177 -0.706 -0.706
6 H ILE 2 H ILE 2 2.992 -1.569 -1.569
7 HA ILE 2 HA ILE 2 1.085 -2.286 -2.286
8 HB ILE 2 HB ILE 2 -0.275 -3.376 -3.376
9 1HG1 ILE 2 2HG1 ILE 2 2.297 -3.425 -3.425
10 2HG1 ILE 2 1HG1 ILE 2 1.230 -2.057 -2.057
11 1HG2 ILE 2 3HG2 ILE 2 1.301 -4.614 -4.614
12 2HG2 ILE 2 2HG2 ILE 2 2.483 -4.620 -4.620
13 3HG2 ILE 2 1HG2 ILE 2 0.941 -5.425 -5.425
14 1HD1 ILE 2 3HD1 ILE 2 0.226 -4.926 -4.926
15 2HD1 ILE 2 2HD1 ILE 2 0.851 -4.039 -4.039
16 3HD1 ILE 2 1HD1 ILE 2 -0.585 -3.468 -3.468
17 H GLY 3 H GLY 3 -0.581 -1.654 -1.654
18 1HA GLY 3 2HA GLY 3 -2.010 0.049 0.049
19 2HA GLY 3 1HA GLY 3 -0.623 1.091 1.091
20 H ALA 4 H ALA 4 -0.291 1.765 1.765
21 HA ALA 4 HA ALA 4 -2.911 2.773 2.773
22 1HB ALA 4 2HB ALA 4 -0.996 4.397 4.397
23 2HB ALA 4 1HB ALA 4 -0.126 3.643 3.643
24 3HB ALA 4 3HB ALA 4 -1.648 4.462 4.462
25 H VAL 5 H VAL 5 -0.230 0.729 0.729
26 HA VAL 5 HA VAL 5 -0.661 0.575 0.575
27 HB VAL 5 HB VAL 5 0.287 -1.700 -1.700
28 1HG1 VAL 5 3HG1 VAL 5 0.890 -1.064 -1.064
29 2HG1 VAL 5 2HG1 VAL 5 1.633 -2.366 -2.366
30 3HG1 VAL 5 1HG1 VAL 5 -0.087 -2.396 -2.396
31 1HG2 VAL 5 1HG2 VAL 5 1.729 0.783 0.783
32 2HG2 VAL 5 3HG2 VAL 5 1.756 0.102 0.102
33 3HG2 VAL 5 2HG2 VAL 5 2.628 -0.687 -0.687
34 H LEU 6 H LEU 6 -2.462 -0.528 -0.528
35 HA LEU 6 HA LEU 6 -4.038 -2.480 -2.480
36 1HB LEU 6 2HB LEU 6 -4.760 -1.588 -1.588
37 2HB LEU 6 1HB LEU 6 -5.021 -3.139 -3.139
38 HG LEU 6 HG LEU 6 -2.329 -2.051 -2.051
39 1HD1 LEU 6 1HD1 LEU 6 -3.981 -2.898 -2.898
40 2HD1 LEU 6 3HD1 LEU 6 -3.967 -4.458 -4.458
41 3HD1 LEU 6 2HD1 LEU 6 -2.510 -3.850 -3.850
42 1HD2 LEU 6 2HD2 LEU 6 -3.004 -4.655 -4.655
43 2HD2 LEU 6 1HD2 LEU 6 -1.878 -3.421 -3.421
44 3HD2 LEU 6 3HD2 LEU 6 -1.502 -4.406 -4.406
45 H LYS 7 H LYS 7 -4.082 0.803 0.803
46 HA LYS 7 HA LYS 7 -7.017 1.101 1.101
47 1HB LYS 7 2HB LYS 7 -4.897 2.743 2.743
48 2HB LYS 7 1HB LYS 7 -5.981 3.664 3.664
49 1HG LYS 7 2HG LYS 7 -7.400 3.749 3.749
50 2HG LYS 7 1HG LYS 7 -7.800 2.078 2.078
51 1HD LYS 7 2HD LYS 7 -5.959 1.324 1.324
52 2HD LYS 7 1HD LYS 7 -5.585 2.977 2.977
53 1HE LYS 7 2HE LYS 7 -8.160 1.439 1.439
54 2HE LYS 7 1HE LYS 7 -6.995 2.053 2.053
55 1HZ LYS 7 1HZ LYS 7 -7.883 4.202 4.202
56 2HZ LYS 7 3HZ LYS 7 -9.246 3.365 3.365
57 3HZ LYS 7 2HZ LYS 7 -8.123 3.972 3.972
58 H VAL 8 H VAL 8 -4.291 0.888 0.888
59 HA VAL 8 HA VAL 8 -4.869 2.936 2.936
60 HB VAL 8 HB VAL 8 -2.834 0.676 0.676
61 1HG1 VAL 8 3HG1 VAL 8 -3.317 0.908 0.908
62 2HG1 VAL 8 2HG1 VAL 8 -2.720 2.560 2.560
63 3HG1 VAL 8 1HG1 VAL 8 -1.664 1.214 1.214
64 1HG2 VAL 8 3HG2 VAL 8 -2.644 2.924 2.924
65 2HG2 VAL 8 2HG2 VAL 8 -1.224 2.401 2.401
66 3HG2 VAL 8 1HG2 VAL 8 -2.260 3.649 3.649
67 H LEU 9 H LEU 9 -4.941 -0.574 -0.574
68 HA LEU 9 HA LEU 9 -6.342 -0.766 -0.766
69 1HB LEU 9 2HB LEU 9 -6.195 -3.234 -3.234
70 2HB LEU 9 1HB LEU 9 -4.756 -2.341 -2.341
71 HG LEU 9 HG LEU 9 -4.055 -2.183 -2.183
72 1HD1 LEU 9 1HD1 LEU 9 -6.806 -3.409 -3.409
73 2HD1 LEU 9 3HD1 LEU 9 -5.528 -3.361 -3.361
74 3HD1 LEU 9 2HD1 LEU 9 -6.210 -1.875 -1.875
75 1HD2 LEU 9 2HD2 LEU 9 -3.565 -4.193 -4.193
76 2HD2 LEU 9 1HD2 LEU 9 -3.774 -4.563 -4.563
77 3HD2 LEU 9 3HD2 LEU 9 -5.059 -4.941 -4.941
78 H THR 10 H THR 10 -7.577 0.228 0.228
79 HA THR 10 HA THR 10 -9.916 -1.596 -1.596
80 HB THR 10 HB THR 10 -10.121 0.263 0.263
81 HG1 THR 10 HG1 THR 10 -7.536 -0.665 -0.665
82 1HG2 THR 10 2HG2 THR 10 -8.738 -2.492 -2.492
83 2HG2 THR 10 1HG2 THR 10 -9.009 -1.666 -1.666
84 3HG2 THR 10 3HG2 THR 10 -10.371 -2.185 -2.185
85 H THR 11 H THR 11 -8.834 1.426 1.426
86 HA THR 11 HA THR 11 -11.657 2.364 2.364
87 HB THR 11 HB THR 11 -9.157 4.198 4.198
88 HG1 THR 11 HG1 THR 11 -10.338 2.756 2.756
89 1HG2 THR 11 1HG2 THR 11 -11.777 4.828 4.828
90 2HG2 THR 11 3HG2 THR 11 -11.857 4.949 4.949
91 3HG2 THR 11 2HG2 THR 11 -10.715 5.932 5.932
92 H GLY 12 H GLY 12 -8.379 2.760 2.760
93 1HA GLY 12 2HA GLY 12 -9.412 1.946 1.946
94 2HA GLY 12 1HA GLY 12 -8.608 3.509 3.509
95 H LEU 13 H LEU 13 -6.611 3.400 3.400
96 HA LEU 13 HA LEU 13 -4.740 1.438 1.438
97 1HB LEU 13 2HB LEU 13 -5.825 1.208 1.208
98 2HB LEU 13 1HB LEU 13 -4.079 1.412 1.412
99 HG LEU 13 HG LEU 13 -5.362 -0.565 -0.565
100 1HD1 LEU 13 2HD1 LEU 13 -5.025 -0.785 -0.785
101 2HD1 LEU 13 1HD1 LEU 13 -4.520 -2.166 -2.166
102 3HD1 LEU 13 3HD1 LEU 13 -6.162 -1.578 -1.578
103 1HD2 LEU 13 2HD2 LEU 13 -2.868 0.215 0.215
104 2HD2 LEU 13 1HD2 LEU 13 -3.149 -1.508 -1.508
105 3HD2 LEU 13 3HD2 LEU 13 -2.625 -0.642 -0.642
106 HA PRO 14 HA DPR 14 -2.110 4.837 4.837
107 1HB PRO 14 2HB DPR 14 -2.399 5.854 5.854
108 2HB PRO 14 1HB DPR 14 -3.738 6.810 6.810
109 1HG PRO 14 2HG DPR 14 -3.878 4.399 4.399
110 2HG PRO 14 1HG DPR 14 -5.177 5.484 5.484
111 1HD PRO 14 2HD DPR 14 -4.781 2.870 2.870
112 2HD PRO 14 1HD DPR 14 -5.899 4.082 4.082
113 H ALA 15 H ALA 15 -1.924 5.495 5.495
114 HA ALA 15 HA ALA 15 -3.489 7.879 7.879
115 1HB ALA 15 2HB ALA 15 -0.996 8.042 8.042
116 2HB ALA 15 1HB ALA 15 -0.915 6.803 6.803
117 3HB ALA 15 3HB ALA 15 -1.661 8.351 8.351
118 H LEU 16 H LEU 16 -3.446 4.539 4.539
119 HA LEU 16 HA LEU 16 -3.740 4.490 4.490
120 1HB LEU 16 2HB LEU 16 -4.950 2.888 2.888
121 2HB LEU 16 1HB LEU 16 -5.513 2.594 2.594
122 HG LEU 16 HG LEU 16 -3.549 1.152 1.152
123 1HD1 LEU 16 3HD1 LEU 16 -3.455 2.688 2.688
124 2HD1 LEU 16 2HD1 LEU 16 -2.420 1.314 1.314
125 3HD1 LEU 16 1HD1 LEU 16 -4.155 1.106 1.106
126 1HD2 LEU 16 3HD2 LEU 16 -2.146 2.942 2.942
127 2HD2 LEU 16 2HD2 LEU 16 -1.293 2.028 2.028
128 3HD2 LEU 16 1HD2 LEU 16 -1.894 3.626 3.626
129 H ILE 17 H ILE 17 -6.170 5.249 5.249
130 HA ILE 17 HA ILE 17 -8.401 5.489 5.489
131 HB ILE 17 HB ILE 17 -9.019 7.211 7.211
132 1HG1 ILE 17 2HG1 ILE 17 -7.909 6.668 6.668
133 2HG1 ILE 17 1HG1 ILE 17 -6.677 5.747 5.747
134 1HG2 ILE 17 3HG2 ILE 17 -8.669 4.233 4.233
135 2HG2 ILE 17 2HG2 ILE 17 -9.655 5.272 5.272
136 3HG2 ILE 17 1HG2 ILE 17 -10.082 5.045 5.045
137 1HD1 ILE 17 2HD1 ILE 17 -7.209 8.604 8.604
138 2HD1 ILE 17 1HD1 ILE 17 -6.303 8.262 8.262
139 3HD1 ILE 17 3HD1 ILE 17 -5.712 7.677 7.677
140 H SER 18 H SER 18 -5.710 7.554 7.554
141 HA SER 18 HA SER 18 -6.977 9.786 9.786
142 1HB SER 18 2HB SER 18 -5.547 9.990 9.990
143 2HB SER 18 1HB SER 18 -4.184 10.016 10.016
144 HG SER 18 HG SER 18 -6.062 11.926 11.926
145 H TRP 19 H TRP 19 -5.452 7.125 7.125
146 HA TRP 19 HA TRP 19 -3.716 8.233 8.233
147 1HB TRP 19 2HB TRP 19 -3.222 6.202 6.202
148 2HB TRP 19 1HB TRP 19 -3.760 5.248 5.248
149 HD1 TRP 19 HD1 TRP 19 -0.741 6.329 6.329
150 HE1 TRP 19 HE1 TRP 19 1.230 6.482 6.482
151 HE3 TRP 19 HE3 TRP 19 -3.304 6.246 6.246
152 HZ2 TRP 19 HZ2 TRP 19 1.632 6.534 6.534
153 HZ3 TRP 19 HZ3 TRP 19 -2.025 6.341 6.341
154 HH2 TRP 19 HH2 TRP 19 0.448 6.481 6.481
155 H ILE 20 H ILE 20 -5.950 5.482 5.482
156 HA ILE 20 HA ILE 20 -6.439 5.699 5.699
157 HB ILE 20 HB ILE 20 -6.552 3.636 3.636
158 1HG1 ILE 20 2HG1 ILE 20 -6.744 3.336 3.336
159 2HG1 ILE 20 1HG1 ILE 20 -5.240 3.617 3.617
160 1HG2 ILE 20 1HG2 ILE 20 -8.971 3.960 3.960
161 2HG2 ILE 20 3HG2 ILE 20 -8.604 2.452 2.452
162 3HG2 ILE 20 2HG2 ILE 20 -8.977 3.901 3.901
163 1HD1 ILE 20 2HD1 ILE 20 -5.829 1.515 1.515
164 2HD1 ILE 20 1HD1 ILE 20 -7.042 1.179 1.179
165 3HD1 ILE 20 3HD1 ILE 20 -5.350 1.254 1.254
166 H LYS 21 H LYS 21 -8.256 6.000 6.000
167 HA LYS 21 HA LYS 21 -10.741 6.531 6.531
168 1HB LYS 21 2HB LYS 21 -9.951 6.298 6.298
169 2HB LYS 21 1HB LYS 21 -10.413 7.981 7.981
170 1HG LYS 21 2HG LYS 21 -12.573 7.364 7.364
171 2HG LYS 21 1HG LYS 21 -12.140 5.668 5.668
172 1HD LYS 21 2HD LYS 21 -12.220 5.472 5.472
173 2HD LYS 21 1HD LYS 21 -12.075 7.196 7.196
174 1HE LYS 21 2HE LYS 21 -14.457 6.456 6.456
175 2HE LYS 21 1HE LYS 21 -14.491 5.714 5.714
176 1HZ LYS 21 3HZ LYS 21 -13.708 8.415 8.415
177 2HZ LYS 21 2HZ LYS 21 -15.018 8.342 8.342
178 3HZ LYS 21 1HZ LYS 21 -15.168 7.694 7.694
179 H ARG 22 H ARG 22 -7.976 8.451 8.451
180 HA ARG 22 HA ARG 22 -9.249 10.977 10.977
181 1HB ARG 22 2HB ARG 22 -7.253 10.523 10.523
182 2HB ARG 22 1HB ARG 22 -6.274 10.335 10.335
183 1HG ARG 22 2HG ARG 22 -7.936 12.844 12.844
184 2HG ARG 22 1HG ARG 22 -6.742 12.713 12.713
185 1HD ARG 22 2HD ARG 22 -5.023 12.134 12.134
186 2HD ARG 22 1HD ARG 22 -6.245 12.688 12.688
187 HE ARG 22 HE ARG 22 -5.177 14.429 14.429
188 1HH1 ARG 22 1HH2 ARG 22 -7.401 15.581 15.581
189 2HH1 ARG 22 2HH2 ARG 22 -6.721 16.508 16.508
190 1HH2 ARG 22 2HH1 ARG 22 -3.680 14.690 14.690
191 2HH2 ARG 22 1HH1 ARG 22 -4.436 15.949 15.949
192 H LYS 23 H LYS 23 -7.870 8.449 8.449
193 HA LYS 23 HA LYS 23 -7.272 10.159 10.159
194 1HB LYS 23 2HB LYS 23 -5.871 8.084 8.084
195 2HB LYS 23 1HB LYS 23 -7.177 7.095 7.095
196 1HG LYS 23 2HG LYS 23 -5.859 9.262 9.262
197 2HG LYS 23 1HG LYS 23 -5.081 7.713 7.713
198 1HD LYS 23 2HD LYS 23 -7.893 8.172 8.172
199 2HD LYS 23 1HD LYS 23 -6.442 7.888 7.888
200 1HE LYS 23 2HE LYS 23 -6.315 5.689 5.689
201 2HE LYS 23 1HE LYS 23 -8.047 5.968 5.968
202 1HZ LYS 23 1HZ LYS 23 -7.283 6.181 6.181
203 2HZ LYS 23 3HZ LYS 23 -6.561 4.795 4.795
204 3HZ LYS 23 2HZ LYS 23 -8.239 4.986 4.986
205 H ARG 24 H ARG 24 -9.493 7.653 7.653
206 HA ARG 24 HA ARG 24 -11.045 7.632 7.632
207 1HB ARG 24 2HB ARG 24 -10.929 5.877 5.877
208 2HB ARG 24 1HB ARG 24 -12.296 6.821 6.821
209 1HG ARG 24 2HG ARG 24 -13.261 6.514 6.514
210 2HG ARG 24 1HG ARG 24 -12.050 5.269 5.269
211 1HD ARG 24 2HD ARG 24 -13.258 4.595 4.595
212 2HD ARG 24 1HD ARG 24 -14.587 5.221 5.221
213 HE ARG 24 HE ARG 24 -13.976 3.543 3.543
214 1HH1 ARG 24 1HH2 ARG 24 -11.455 3.180 3.180
215 2HH1 ARG 24 2HH2 ARG 24 -11.628 1.532 1.532
216 1HH2 ARG 24 2HH1 ARG 24 -15.018 1.551 1.551
217 2HH2 ARG 24 1HH1 ARG 24 -13.848 0.533 0.533
218 H GLN 25 H GLN 25 -11.555 9.144 9.144
219 HA GLN 25 HA GLN 25 -13.964 10.512 10.512
220 1HB GLN 25 2HB GLN 25 -12.494 10.854 10.854
221 2HB GLN 25 1HB GLN 25 -14.101 11.428 11.428
222 1HG GLN 25 2HG GLN 25 -14.566 8.812 8.812
223 2HG GLN 25 1HG GLN 25 -13.149 8.573 8.573
224 1HE2 GLN 25 2HE2 GLN 25 -16.377 10.313 10.313
225 2HE2 GLN 25 1HE2 GLN 25 -16.013 10.764 10.764
226 H GLN 26 H GLN 26 -12.521 11.293 11.293
227 HA GLN 26 HA GLN 26 -11.276 13.911 13.911
228 1HB GLN 26 2HB GLN 26 -9.700 12.039 12.039
229 2HB GLN 26 1HB GLN 26 -10.512 12.146 12.146
230 1HG GLN 26 2HG GLN 26 -9.785 14.852 14.852
231 2HG GLN 26 1HG GLN 26 -8.393 13.844 13.844
232 1HE2 GLN 26 2HE2 GLN 26 -7.572 14.273 14.273
233 2HE2 GLN 26 1HE2 GLN 26 -7.103 14.468 14.468
234 1HN NH2 27 1HT GLN 26 -11.434 13.543 13.543
235 2HN NH2 27 2HT GLN 26 -12.910 14.348 14.348
Start of MODEL 3
1 1H GLY 1 1H GLY 1 4.834 -2.860 -2.860
2 2H GLY 1 3H GLY 1 6.078 -2.426 -2.426
3 3H GLY 1 2H GLY 1 5.843 -4.057 -4.057
4 1HA GLY 1 2HA GLY 1 4.370 -4.297 -4.297
5 2HA GLY 1 1HA GLY 1 4.593 -2.585 -2.585
6 H ILE 2 H ILE 2 2.076 -3.262 -3.262
7 HA ILE 2 HA ILE 2 0.616 -2.510 -2.510
8 HB ILE 2 HB ILE 2 -1.286 -3.815 -3.815
9 1HG1 ILE 2 2HG1 ILE 2 0.064 -5.225 -5.225
10 2HG1 ILE 2 1HG1 ILE 2 0.053 -3.519 -3.519
11 1HG2 ILE 2 2HG2 ILE 2 0.547 -4.948 -4.948
12 2HG2 ILE 2 1HG2 ILE 2 1.209 -5.530 -5.530
13 3HG2 ILE 2 3HG2 ILE 2 -0.399 -6.014 -6.014
14 1HD1 ILE 2 2HD1 ILE 2 -2.449 -5.042 -5.042
15 2HD1 ILE 2 1HD1 ILE 2 -1.963 -4.789 -4.789
16 3HD1 ILE 2 3HD1 ILE 2 -2.370 -3.413 -3.413
17 H GLY 3 H GLY 3 -1.831 -2.047 -2.047
18 1HA GLY 3 2HA GLY 3 -2.576 -0.533 -0.533
19 2HA GLY 3 1HA GLY 3 -1.091 0.397 0.397
20 H ALA 4 H ALA 4 -0.792 1.237 1.237
21 HA ALA 4 HA ALA 4 -3.333 2.551 2.551
22 1HB ALA 4 1HB ALA 4 -1.032 3.792 3.792
23 2HB ALA 4 3HB ALA 4 -0.599 3.168 3.168
24 3HB ALA 4 2HB ALA 4 -1.993 4.211 4.211
25 H VAL 5 H VAL 5 -0.685 0.742 0.742
26 HA VAL 5 HA VAL 5 -1.004 0.394 0.394
27 HB VAL 5 HB VAL 5 -0.763 -2.047 -2.047
28 1HG1 VAL 5 1HG1 VAL 5 0.286 -1.360 -1.360
29 2HG1 VAL 5 3HG1 VAL 5 0.975 -2.665 -2.665
30 3HG1 VAL 5 2HG1 VAL 5 -0.707 -2.718 -2.718
31 1HG2 VAL 5 1HG2 VAL 5 1.222 0.198 0.198
32 2HG2 VAL 5 3HG2 VAL 5 0.785 -0.479 -0.479
33 3HG2 VAL 5 2HG2 VAL 5 1.776 -1.397 -1.397
34 H LEU 6 H LEU 6 -3.306 -0.903 -0.903
35 HA LEU 6 HA LEU 6 -4.758 -2.461 -2.461
36 1HB LEU 6 2HB LEU 6 -5.948 -1.519 -1.519
37 2HB LEU 6 1HB LEU 6 -6.315 -2.976 -2.976
38 HG LEU 6 HG LEU 6 -3.523 -2.539 -2.539
39 1HD1 LEU 6 1HD1 LEU 6 -5.225 -2.335 -2.335
40 2HD1 LEU 6 3HD1 LEU 6 -5.862 -3.908 -3.908
41 3HD1 LEU 6 2HD1 LEU 6 -4.225 -3.765 -3.765
42 1HD2 LEU 6 3HD2 LEU 6 -5.107 -4.967 -4.967
43 2HD2 LEU 6 2HD2 LEU 6 -3.603 -4.358 -4.358
44 3HD2 LEU 6 1HD2 LEU 6 -3.620 -5.106 -5.106
45 H LYS 7 H LYS 7 -5.347 0.546 0.546
46 HA LYS 7 HA LYS 7 -7.772 1.351 1.351
47 1HB LYS 7 2HB LYS 7 -5.838 2.607 2.607
48 2HB LYS 7 1HB LYS 7 -5.687 3.513 3.513
49 1HG LYS 7 2HG LYS 7 -8.198 3.837 3.837
50 2HG LYS 7 1HG LYS 7 -8.239 3.062 3.062
51 1HD LYS 7 2HD LYS 7 -7.254 4.895 4.895
52 2HD LYS 7 1HD LYS 7 -6.327 5.379 5.379
53 1HE LYS 7 2HE LYS 7 -8.351 6.881 6.881
54 2HE LYS 7 1HE LYS 7 -8.113 6.593 6.593
55 1HZ LYS 7 2HZ LYS 7 -9.673 4.492 4.492
56 2HZ LYS 7 1HZ LYS 7 -10.355 5.952 5.952
57 3HZ LYS 7 3HZ LYS 7 -10.116 5.664 5.664
58 H VAL 8 H VAL 8 -4.610 1.629 1.629
59 HA VAL 8 HA VAL 8 -4.948 3.071 3.071
60 HB VAL 8 HB VAL 8 -3.278 0.519 0.519
61 1HG1 VAL 8 2HG1 VAL 8 -3.293 1.518 1.518
62 2HG1 VAL 8 1HG1 VAL 8 -2.760 3.050 3.050
63 3HG1 VAL 8 3HG1 VAL 8 -1.718 1.639 1.639
64 1HG2 VAL 8 1HG2 VAL 8 -2.850 3.356 3.356
65 2HG2 VAL 8 3HG2 VAL 8 -2.741 1.867 1.867
66 3HG2 VAL 8 2HG2 VAL 8 -1.496 2.277 2.277
67 H LEU 9 H LEU 9 -5.269 -0.417 -0.417
68 HA LEU 9 HA LEU 9 -6.390 -0.877 -0.877
69 1HB LEU 9 2HB LEU 9 -6.821 -2.853 -2.853
70 2HB LEU 9 1HB LEU 9 -6.353 -3.124 -3.124
71 HG LEU 9 HG LEU 9 -4.545 -2.071 -2.071
72 1HD1 LEU 9 2HD1 LEU 9 -4.677 -4.688 -4.688
73 2HD1 LEU 9 1HD1 LEU 9 -3.361 -4.212 -4.212
74 3HD1 LEU 9 3HD1 LEU 9 -4.985 -4.412 -4.412
75 1HD2 LEU 9 2HD2 LEU 9 -4.013 -1.120 -1.120
76 2HD2 LEU 9 1HD2 LEU 9 -2.741 -2.040 -2.040
77 3HD2 LEU 9 3HD2 LEU 9 -3.710 -2.772 -2.772
78 H THR 10 H THR 10 -7.863 0.726 0.726
79 HA THR 10 HA THR 10 -10.534 -0.538 -0.538
80 HB THR 10 HB THR 10 -10.574 1.571 1.571
81 HG1 THR 10 HG1 THR 10 -8.476 -0.238 -0.238
82 1HG2 THR 10 3HG2 THR 10 -11.085 -1.444 -1.444
83 2HG2 THR 10 2HG2 THR 10 -11.493 -0.339 -0.339
84 3HG2 THR 10 1HG2 THR 10 -12.300 -0.201 -0.201
85 H THR 11 H THR 11 -8.462 1.772 1.772
86 HA THR 11 HA THR 11 -10.628 3.607 3.607
87 HB THR 11 HB THR 11 -7.669 4.306 4.306
88 HG1 THR 11 HG1 THR 11 -9.835 3.896 3.896
89 1HG2 THR 11 3HG2 THR 11 -10.171 6.056 6.056
90 2HG2 THR 11 2HG2 THR 11 -8.537 6.616 6.616
91 3HG2 THR 11 1HG2 THR 11 -8.927 5.933 5.933
92 H GLY 12 H GLY 12 -7.201 2.585 2.585
93 1HA GLY 12 2HA GLY 12 -8.191 1.704 1.704
94 2HA GLY 12 1HA GLY 12 -7.118 3.112 3.112
95 H LEU 13 H LEU 13 -5.233 2.578 2.578
96 HA LEU 13 HA LEU 13 -3.738 0.468 0.468
97 1HB LEU 13 2HB LEU 13 -2.945 -0.522 -0.522
98 2HB LEU 13 1HB LEU 13 -4.694 -0.653 -0.653
99 HG LEU 13 HG LEU 13 -3.274 1.603 1.603
100 1HD1 LEU 13 3HD1 LEU 13 -2.622 -0.609 -0.609
101 2HD1 LEU 13 2HD1 LEU 13 -4.314 -1.009 -1.009
102 3HD1 LEU 13 1HD1 LEU 13 -3.588 0.312 0.312
103 1HD2 LEU 13 3HD2 LEU 13 -6.140 0.775 0.775
104 2HD2 LEU 13 2HD2 LEU 13 -5.495 2.370 2.370
105 3HD2 LEU 13 1HD2 LEU 13 -5.720 1.187 1.187
106 HA PRO 14 HA DPR 14 -1.009 4.030 4.030
107 1HB PRO 14 2HB DPR 14 -1.133 4.629 4.629
108 2HB PRO 14 1HB DPR 14 -1.692 6.149 6.149
109 1HG PRO 14 2HG DPR 14 -3.212 4.649 4.649
110 2HG PRO 14 1HG DPR 14 -3.915 5.726 5.726
111 1HD PRO 14 2HD DPR 14 -4.160 2.835 2.835
112 2HD PRO 14 1HD DPR 14 -4.772 3.985 3.985
113 H ALA 15 H ALA 15 -1.137 6.539 6.539
114 HA ALA 15 HA ALA 15 -2.921 8.158 8.158
115 1HB ALA 15 3HB ALA 15 -0.486 8.526 8.526
116 2HB ALA 15 2HB ALA 15 -0.394 7.412 7.412
117 3HB ALA 15 1HB ALA 15 -1.292 8.914 8.914
118 H LEU 16 H LEU 16 -2.395 5.145 5.145
119 HA LEU 16 HA LEU 16 -3.149 5.430 5.430
120 1HB LEU 16 2HB LEU 16 -3.672 3.311 3.311
121 2HB LEU 16 1HB LEU 16 -4.396 3.134 3.134
122 HG LEU 16 HG LEU 16 -2.123 2.019 2.019
123 1HD1 LEU 16 3HD1 LEU 16 -2.505 3.980 3.980
124 2HD1 LEU 16 2HD1 LEU 16 -1.335 2.675 2.675
125 3HD1 LEU 16 1HD1 LEU 16 -3.042 2.308 2.308
126 1HD2 LEU 16 1HD2 LEU 16 -0.940 3.820 3.820
127 2HD2 LEU 16 3HD2 LEU 16 -0.103 3.373 3.373
128 3HD2 LEU 16 2HD2 LEU 16 -1.039 4.852 4.852
129 H ILE 17 H ILE 17 -5.247 5.421 5.421
130 HA ILE 17 HA ILE 17 -7.729 5.272 5.272
131 HB ILE 17 HB ILE 17 -8.067 7.134 7.134
132 1HG1 ILE 17 2HG1 ILE 17 -7.203 5.520 5.520
133 2HG1 ILE 17 1HG1 ILE 17 -6.103 4.871 4.871
134 1HG2 ILE 17 3HG2 ILE 17 -9.639 5.416 5.416
135 2HG2 ILE 17 2HG2 ILE 17 -8.614 4.168 4.168
136 3HG2 ILE 17 1HG2 ILE 17 -9.405 5.348 5.348
137 1HD1 ILE 17 3HD1 ILE 17 -5.309 7.326 7.326
138 2HD1 ILE 17 2HD1 ILE 17 -6.317 7.729 7.729
139 3HD1 ILE 17 1HD1 ILE 17 -4.965 6.629 6.629
140 H SER 18 H SER 18 -5.602 7.938 7.938
141 HA SER 18 HA SER 18 -7.522 9.838 9.838
142 1HB SER 18 2HB SER 18 -5.336 10.071 10.071
143 2HB SER 18 1HB SER 18 -5.132 11.253 11.253
144 HG SER 18 HG SER 18 -7.188 10.927 10.927
145 H TRP 19 H TRP 19 -5.454 7.706 7.706
146 HA TRP 19 HA TRP 19 -4.179 9.154 9.154
147 1HB TRP 19 2HB TRP 19 -3.074 7.407 7.407
148 2HB TRP 19 1HB TRP 19 -3.610 6.218 6.218
149 HD1 TRP 19 HD1 TRP 19 -0.584 7.842 7.842
150 HE1 TRP 19 HE1 TRP 19 1.177 7.920 7.920
151 HE3 TRP 19 HE3 TRP 19 -3.564 6.847 6.847
152 HZ2 TRP 19 HZ2 TRP 19 1.312 7.618 7.618
153 HZ3 TRP 19 HZ3 TRP 19 -2.497 6.756 6.756
154 HH2 TRP 19 HH2 TRP 19 -0.070 7.139 7.139
155 H ILE 20 H ILE 20 -5.392 5.775 5.775
156 HA ILE 20 HA ILE 20 -6.537 6.057 6.057
157 HB ILE 20 HB ILE 20 -5.747 3.907 3.907
158 1HG1 ILE 20 2HG1 ILE 20 -6.588 3.749 3.749
159 2HG1 ILE 20 1HG1 ILE 20 -5.034 4.368 4.368
160 1HG2 ILE 20 1HG2 ILE 20 -8.460 3.613 3.613
161 2HG2 ILE 20 3HG2 ILE 20 -7.582 2.299 2.299
162 3HG2 ILE 20 2HG2 ILE 20 -8.189 3.648 3.648
163 1HD1 ILE 20 3HD1 ILE 20 -4.950 2.029 2.029
164 2HD1 ILE 20 2HD1 ILE 20 -6.035 1.541 1.541
165 3HD1 ILE 20 1HD1 ILE 20 -4.437 2.146 2.146
166 H LYS 21 H LYS 21 -7.905 5.943 5.943
167 HA LYS 21 HA LYS 21 -10.587 5.821 5.821
168 1HB LYS 21 2HB LYS 21 -9.376 5.778 5.778
169 2HB LYS 21 1HB LYS 21 -10.739 6.869 6.869
170 1HG LYS 21 2HG LYS 21 -11.008 4.181 4.181
171 2HG LYS 21 1HG LYS 21 -10.986 4.206 4.206
172 1HD LYS 21 2HD LYS 21 -12.809 6.198 6.198
173 2HD LYS 21 1HD LYS 21 -12.971 5.460 5.460
174 1HE LYS 21 2HE LYS 21 -14.629 4.514 4.514
175 2HE LYS 21 1HE LYS 21 -13.482 3.254 3.254
176 1HZ LYS 21 2HZ LYS 21 -12.517 4.645 4.645
177 2HZ LYS 21 1HZ LYS 21 -14.137 4.191 4.191
178 3HZ LYS 21 3HZ LYS 21 -12.988 3.024 3.024
179 H ARG 22 H ARG 22 -8.305 8.234 8.234
180 HA ARG 22 HA ARG 22 -10.321 10.415 10.415
181 1HB ARG 22 2HB ARG 22 -8.180 10.862 10.862
182 2HB ARG 22 1HB ARG 22 -7.284 10.281 10.281
183 1HG ARG 22 2HG ARG 22 -7.782 12.195 12.195
184 2HG ARG 22 1HG ARG 22 -9.115 12.692 12.692
185 1HD ARG 22 2HD ARG 22 -6.345 12.713 12.713
186 2HD ARG 22 1HD ARG 22 -6.714 13.927 13.927
187 HE ARG 22 HE ARG 22 -8.781 14.483 14.483
188 1HH1 ARG 22 2HH1 ARG 22 -7.200 12.195 12.195
189 2HH1 ARG 22 1HH1 ARG 22 -7.057 12.935 12.935
190 1HH2 ARG 22 1HH2 ARG 22 -8.070 16.066 16.066
191 2HH2 ARG 22 2HH2 ARG 22 -7.540 15.379 15.379
192 H LYS 23 H LYS 23 -7.879 9.047 9.047
193 HA LYS 23 HA LYS 23 -8.669 10.482 10.482
194 1HB LYS 23 2HB LYS 23 -6.470 9.346 9.346
195 2HB LYS 23 1HB LYS 23 -7.260 7.790 7.790
196 1HG LYS 23 2HG LYS 23 -8.069 9.337 9.337
197 2HG LYS 23 1HG LYS 23 -6.340 9.508 9.508
198 1HD LYS 23 2HD LYS 23 -6.379 7.548 7.548
199 2HD LYS 23 1HD LYS 23 -6.317 6.903 6.903
200 1HE LYS 23 2HE LYS 23 -8.024 5.632 5.632
201 2HE LYS 23 1HE LYS 23 -8.887 6.788 6.788
202 1HZ LYS 23 1HZ LYS 23 -8.455 7.994 7.994
203 2HZ LYS 23 3HZ LYS 23 -9.058 6.443 6.443
204 3HZ LYS 23 2HZ LYS 23 -9.925 7.531 7.531
205 H ARG 24 H ARG 24 -9.647 7.223 7.223
206 HA ARG 24 HA ARG 24 -11.088 6.427 6.427
207 1HB ARG 24 2HB ARG 24 -10.829 5.283 5.283
208 2HB ARG 24 1HB ARG 24 -12.437 5.951 5.951
209 1HG ARG 24 2HG ARG 24 -12.825 4.863 4.863
210 2HG ARG 24 1HG ARG 24 -11.407 3.927 3.927
211 1HD ARG 24 2HD ARG 24 -12.563 2.577 2.577
212 2HD ARG 24 1HD ARG 24 -13.419 3.908 3.908
213 HE ARG 24 HE ARG 24 -14.228 2.727 2.727
214 1HH1 ARG 24 1HH2 ARG 24 -15.068 5.345 5.345
215 2HH1 ARG 24 2HH2 ARG 24 -16.664 4.983 4.983
216 1HH2 ARG 24 2HH1 ARG 24 -16.077 1.489 1.489
217 2HH2 ARG 24 1HH1 ARG 24 -17.279 2.596 2.596
218 H GLN 25 H GLN 25 -12.012 8.892 8.892
219 HA GLN 25 HA GLN 25 -14.692 9.092 9.092
220 1HB GLN 25 2HB GLN 25 -15.030 10.860 10.860
221 2HB GLN 25 1HB GLN 25 -15.088 9.163 9.163
222 1HG GLN 25 2HG GLN 25 -12.770 9.189 9.189
223 2HG GLN 25 1HG GLN 25 -12.599 10.876 10.876
224 1HE2 GLN 25 2HE2 GLN 25 -13.812 11.897 11.897
225 2HE2 GLN 25 1HE2 GLN 25 -12.744 12.193 12.193
226 H GLN 26 H GLN 26 -11.695 10.778 10.778
227 HA GLN 26 HA GLN 26 -12.665 13.015 13.015
228 1HB GLN 26 2HB GLN 26 -10.307 13.039 13.039
229 2HB GLN 26 1HB GLN 26 -10.932 14.410 14.410
230 1HG GLN 26 2HG GLN 26 -13.126 14.173 14.173
231 2HG GLN 26 1HG GLN 26 -12.419 12.865 12.865
232 1HE2 GLN 26 2HE2 GLN 26 -11.304 16.693 16.693
233 2HE2 GLN 26 1HE2 GLN 26 -12.154 16.367 16.367
234 1HN NH2 27 1HT GLN 26 -12.109 11.980 11.980
235 2HN NH2 27 2HT GLN 26 -10.505 11.587 11.587
Start of MODEL 4
1 1H GLY 1 3H GLY 1 4.678 -4.045 -4.045
2 2H GLY 1 2H GLY 1 5.894 -3.256 -3.256
3 3H GLY 1 1H GLY 1 5.386 -4.820 -4.820
4 1HA GLY 1 2HA GLY 1 3.807 -3.953 -3.953
5 2HA GLY 1 1HA GLY 1 4.313 -2.322 -2.322
6 H ILE 2 H ILE 2 1.556 -2.937 -2.937
7 HA ILE 2 HA ILE 2 0.642 -2.952 -2.952
8 HB ILE 2 HB ILE 2 -1.555 -3.878 -3.878
9 1HG1 ILE 2 2HG1 ILE 2 0.555 -4.892 -4.892
10 2HG1 ILE 2 1HG1 ILE 2 -0.585 -3.620 -3.620
11 1HG2 ILE 2 2HG2 ILE 2 1.002 -5.385 -5.385
12 2HG2 ILE 2 1HG2 ILE 2 -0.476 -6.243 -6.243
13 3HG2 ILE 2 3HG2 ILE 2 -0.416 -5.165 -5.165
14 1HD1 ILE 2 1HD1 ILE 2 -1.855 -6.092 -6.092
15 2HD1 ILE 2 3HD1 ILE 2 -1.050 -6.283 -6.283
16 3HD1 ILE 2 2HD1 ILE 2 -2.318 -5.090 -5.090
17 H GLY 3 H GLY 3 0.432 -1.372 -1.372
18 1HA GLY 3 2HA GLY 3 -1.521 0.170 0.170
19 2HA GLY 3 1HA GLY 3 -0.031 1.007 1.007
20 H ALA 4 H ALA 4 0.195 1.408 1.408
21 HA ALA 4 HA ALA 4 -2.337 2.752 2.752
22 1HB ALA 4 1HB ALA 4 0.526 3.082 3.082
23 2HB ALA 4 3HB ALA 4 -0.867 3.968 3.968
24 3HB ALA 4 2HB ALA 4 -0.342 4.191 4.191
25 H VAL 5 H VAL 5 -0.071 0.325 0.325
26 HA VAL 5 HA VAL 5 -0.702 -0.103 -0.103
27 HB VAL 5 HB VAL 5 -0.244 -2.466 -2.466
28 1HG1 VAL 5 3HG1 VAL 5 -0.381 -2.850 -2.850
29 2HG1 VAL 5 2HG1 VAL 5 0.924 -1.710 -1.710
30 3HG1 VAL 5 1HG1 VAL 5 1.235 -3.216 -3.216
31 1HG2 VAL 5 3HG2 VAL 5 1.783 -0.255 -0.255
32 2HG2 VAL 5 2HG2 VAL 5 1.391 -0.936 -0.936
33 3HG2 VAL 5 1HG2 VAL 5 2.297 -1.882 -1.882
34 H LEU 6 H LEU 6 -2.500 -0.787 -0.787
35 HA LEU 6 HA LEU 6 -4.459 -2.482 -2.482
36 1HB LEU 6 2HB LEU 6 -4.276 -1.535 -1.535
37 2HB LEU 6 1HB LEU 6 -5.663 -2.422 -2.422
38 HG LEU 6 HG LEU 6 -2.807 -3.393 -3.393
39 1HD1 LEU 6 3HD1 LEU 6 -5.053 -4.097 -4.097
40 2HD1 LEU 6 2HD1 LEU 6 -3.541 -4.975 -4.975
41 3HD1 LEU 6 1HD1 LEU 6 -3.549 -3.290 -3.290
42 1HD2 LEU 6 2HD2 LEU 6 -5.438 -4.487 -4.487
43 2HD2 LEU 6 1HD2 LEU 6 -3.825 -4.737 -4.737
44 3HD2 LEU 6 3HD2 LEU 6 -4.353 -5.647 -5.647
45 H LYS 7 H LYS 7 -4.079 0.804 0.804
46 HA LYS 7 HA LYS 7 -6.997 1.336 1.336
47 1HB LYS 7 2HB LYS 7 -4.787 2.727 2.727
48 2HB LYS 7 1HB LYS 7 -5.708 3.820 3.820
49 1HG LYS 7 2HG LYS 7 -6.985 1.899 1.899
50 2HG LYS 7 1HG LYS 7 -6.580 3.560 3.560
51 1HD LYS 7 2HD LYS 7 -8.258 4.476 4.476
52 2HD LYS 7 1HD LYS 7 -8.240 3.135 3.135
53 1HE LYS 7 2HE LYS 7 -10.322 2.910 2.910
54 2HE LYS 7 1HE LYS 7 -9.312 1.694 1.694
55 1HZ LYS 7 2HZ LYS 7 -8.961 4.107 4.107
56 2HZ LYS 7 1HZ LYS 7 -10.634 3.841 3.841
57 3HZ LYS 7 3HZ LYS 7 -9.639 2.669 2.669
58 H VAL 8 H VAL 8 -4.472 0.885 0.885
59 HA VAL 8 HA VAL 8 -5.020 3.019 3.019
60 HB VAL 8 HB VAL 8 -2.958 0.788 0.788
61 1HG1 VAL 8 2HG1 VAL 8 -3.459 0.899 0.899
62 2HG1 VAL 8 1HG1 VAL 8 -2.850 2.550 2.550
63 3HG1 VAL 8 3HG1 VAL 8 -1.805 1.217 1.217
64 1HG2 VAL 8 3HG2 VAL 8 -2.941 3.272 3.272
65 2HG2 VAL 8 2HG2 VAL 8 -1.473 2.438 2.438
66 3HG2 VAL 8 1HG2 VAL 8 -2.149 3.640 3.640
67 H LEU 9 H LEU 9 -5.142 -0.473 -0.473
68 HA LEU 9 HA LEU 9 -6.515 -0.687 -0.687
69 1HB LEU 9 2HB LEU 9 -6.234 -2.945 -2.945
70 2HB LEU 9 1HB LEU 9 -4.763 -2.232 -2.232
71 HG LEU 9 HG LEU 9 -6.969 -3.688 -3.688
72 1HD1 LEU 9 3HD1 LEU 9 -4.917 -4.765 -4.765
73 2HD1 LEU 9 2HD1 LEU 9 -3.929 -3.816 -3.816
74 3HD1 LEU 9 1HD1 LEU 9 -5.062 -5.014 -5.014
75 1HD2 LEU 9 1HD2 LEU 9 -4.842 -1.952 -1.952
76 2HD2 LEU 9 3HD2 LEU 9 -6.567 -1.587 -1.587
77 3HD2 LEU 9 2HD2 LEU 9 -5.977 -3.012 -3.012
78 H THR 10 H THR 10 -7.690 0.522 0.522
79 HA THR 10 HA THR 10 -10.106 -1.141 -1.141
80 HB THR 10 HB THR 10 -10.004 1.337 1.337
81 HG1 THR 10 HG1 THR 10 -7.818 -0.299 -0.299
82 1HG2 THR 10 3HG2 THR 10 -9.599 -1.651 -1.651
83 2HG2 THR 10 2HG2 THR 10 -9.758 -0.378 -0.378
84 3HG2 THR 10 1HG2 THR 10 -11.099 -0.758 -0.758
85 H THR 11 H THR 11 -8.960 1.605 1.605
86 HA THR 11 HA THR 11 -11.773 2.329 2.329
87 HB THR 11 HB THR 11 -9.389 4.303 4.303
88 HG1 THR 11 HG1 THR 11 -11.455 4.498 4.498
89 1HG2 THR 11 3HG2 THR 11 -11.459 4.907 4.907
90 2HG2 THR 11 2HG2 THR 11 -12.456 4.776 4.776
91 3HG2 THR 11 1HG2 THR 11 -11.201 6.004 6.004
92 H GLY 12 H GLY 12 -8.396 2.796 2.796
93 1HA GLY 12 2HA GLY 12 -9.139 1.588 1.588
94 2HA GLY 12 1HA GLY 12 -8.454 3.207 3.207
95 H LEU 13 H LEU 13 -6.410 3.220 3.220
96 HA LEU 13 HA LEU 13 -4.481 1.384 1.384
97 1HB LEU 13 2HB LEU 13 -5.146 1.430 1.430
98 2HB LEU 13 1HB LEU 13 -3.439 1.369 1.369
99 HG LEU 13 HG LEU 13 -4.842 -0.575 -0.575
100 1HD1 LEU 13 1HD1 LEU 13 -5.494 -0.652 -0.652
101 2HD1 LEU 13 3HD1 LEU 13 -5.580 -2.064 -2.064
102 3HD1 LEU 13 2HD1 LEU 13 -6.611 -0.682 -0.682
103 1HD2 LEU 13 3HD2 LEU 13 -2.407 -0.593 -0.593
104 2HD2 LEU 13 2HD2 LEU 13 -3.251 -2.108 -2.108
105 3HD2 LEU 13 1HD2 LEU 13 -2.970 -1.045 -1.045
106 HA PRO 14 HA DPR 14 -2.160 5.057 5.057
107 1HB PRO 14 2HB DPR 14 -2.686 6.108 6.108
108 2HB PRO 14 1HB DPR 14 -4.137 6.821 6.821
109 1HG PRO 14 2HG DPR 14 -3.886 4.314 4.314
110 2HG PRO 14 1HG DPR 14 -5.309 5.297 5.297
111 1HD PRO 14 2HD DPR 14 -4.873 2.831 2.831
112 2HD PRO 14 1HD DPR 14 -5.923 4.099 4.099
113 H ALA 15 H ALA 15 -1.917 5.766 5.766
114 HA ALA 15 HA ALA 15 -3.661 8.037 8.037
115 1HB ALA 15 3HB ALA 15 -1.226 8.448 8.448
116 2HB ALA 15 2HB ALA 15 -0.940 7.233 7.233
117 3HB ALA 15 1HB ALA 15 -1.822 8.701 8.701
118 H LEU 16 H LEU 16 -3.261 4.764 4.764
119 HA LEU 16 HA LEU 16 -3.451 4.692 4.692
120 1HB LEU 16 2HB LEU 16 -4.601 3.040 3.040
121 2HB LEU 16 1HB LEU 16 -5.114 2.672 2.672
122 HG LEU 16 HG LEU 16 -3.076 1.381 1.381
123 1HD1 LEU 16 2HD1 LEU 16 -3.725 1.417 1.417
124 2HD1 LEU 16 1HD1 LEU 16 -2.725 2.843 2.843
125 3HD1 LEU 16 3HD1 LEU 16 -1.989 1.316 1.316
126 1HD2 LEU 16 2HD2 LEU 16 -1.803 3.255 3.255
127 2HD2 LEU 16 1HD2 LEU 16 -0.869 2.422 2.422
128 3HD2 LEU 16 3HD2 LEU 16 -1.588 3.973 3.973
129 H ILE 17 H ILE 17 -6.125 5.233 5.233
130 HA ILE 17 HA ILE 17 -8.195 5.281 5.281
131 HB ILE 17 HB ILE 17 -9.149 6.892 6.892
132 1HG1 ILE 17 2HG1 ILE 17 -8.313 6.176 6.176
133 2HG1 ILE 17 1HG1 ILE 17 -7.043 5.223 5.223
134 1HG2 ILE 17 3HG2 ILE 17 -10.007 4.635 4.635
135 2HG2 ILE 17 2HG2 ILE 17 -8.763 3.886 3.886
136 3HG2 ILE 17 1HG2 ILE 17 -10.024 4.852 4.852
137 1HD1 ILE 17 3HD1 ILE 17 -7.277 8.139 8.139
138 2HD1 ILE 17 2HD1 ILE 17 -6.645 7.714 7.714
139 3HD1 ILE 17 1HD1 ILE 17 -5.827 7.153 7.153
140 H SER 18 H SER 18 -5.810 7.590 7.590
141 HA SER 18 HA SER 18 -7.208 9.705 9.705
142 1HB SER 18 2HB SER 18 -4.693 9.840 9.840
143 2HB SER 18 1HB SER 18 -5.514 11.228 11.228
144 HG SER 18 HG SER 18 -6.170 9.989 9.989
145 H TRP 19 H TRP 19 -5.398 7.241 7.241
146 HA TRP 19 HA TRP 19 -3.601 8.499 8.499
147 1HB TRP 19 2HB TRP 19 -3.092 6.481 6.481
148 2HB TRP 19 1HB TRP 19 -3.494 5.500 5.500
149 HD1 TRP 19 HD1 TRP 19 -0.584 6.473 6.473
150 HE1 TRP 19 HE1 TRP 19 1.497 6.662 6.662
151 HE3 TRP 19 HE3 TRP 19 -2.850 6.783 6.783
152 HZ2 TRP 19 HZ2 TRP 19 2.081 6.927 6.927
153 HZ3 TRP 19 HZ3 TRP 19 -1.409 7.024 7.024
154 HH2 TRP 19 HH2 TRP 19 1.037 7.093 7.093
155 H ILE 20 H ILE 20 -5.712 5.619 5.619
156 HA ILE 20 HA ILE 20 -6.126 5.847 5.847
157 HB ILE 20 HB ILE 20 -6.163 3.744 3.744
158 1HG1 ILE 20 2HG1 ILE 20 -4.770 3.869 3.869
159 2HG1 ILE 20 1HG1 ILE 20 -5.567 2.341 2.341
160 1HG2 ILE 20 1HG2 ILE 20 -8.566 3.879 3.879
161 2HG2 ILE 20 3HG2 ILE 20 -7.984 2.391 2.391
162 3HG2 ILE 20 2HG2 ILE 20 -8.546 3.712 3.712
163 1HD1 ILE 20 2HD1 ILE 20 -6.904 4.447 4.447
164 2HD1 ILE 20 1HD1 ILE 20 -5.701 3.335 3.335
165 3HD1 ILE 20 3HD1 ILE 20 -7.182 2.716 2.716
166 H LYS 21 H LYS 21 -8.091 5.792 5.792
167 HA LYS 21 HA LYS 21 -10.547 6.389 6.389
168 1HB LYS 21 2HB LYS 21 -9.635 6.004 6.004
169 2HB LYS 21 1HB LYS 21 -10.649 7.416 7.416
170 1HG LYS 21 2HG LYS 21 -11.574 4.936 4.936
171 2HG LYS 21 1HG LYS 21 -11.569 4.854 4.854
172 1HD LYS 21 2HD LYS 21 -12.920 7.088 7.088
173 2HD LYS 21 1HD LYS 21 -13.768 5.662 5.662
174 1HE LYS 21 2HE LYS 21 -12.288 6.865 6.865
175 2HE LYS 21 1HE LYS 21 -13.226 8.103 8.103
176 1HZ LYS 21 2HZ LYS 21 -14.883 5.842 5.842
177 2HZ LYS 21 1HZ LYS 21 -14.137 6.112 6.112
178 3HZ LYS 21 3HZ LYS 21 -15.039 7.340 7.340
179 H ARG 22 H ARG 22 -7.847 8.335 8.335
180 HA ARG 22 HA ARG 22 -9.430 10.853 10.853
181 1HB ARG 22 2HB ARG 22 -7.398 10.706 10.706
182 2HB ARG 22 1HB ARG 22 -6.456 10.192 10.192
183 1HG ARG 22 2HG ARG 22 -6.787 12.428 12.428
184 2HG ARG 22 1HG ARG 22 -7.831 12.933 12.933
185 1HD ARG 22 2HD ARG 22 -5.941 12.678 12.678
186 2HD ARG 22 1HD ARG 22 -4.910 12.090 12.090
187 HE ARG 22 HE ARG 22 -6.028 14.886 14.886
188 1HH1 ARG 22 2HH1 ARG 22 -4.859 14.680 14.680
189 2HH1 ARG 22 1HH1 ARG 22 -3.157 14.831 14.831
190 1HH2 ARG 22 1HH2 ARG 22 -3.400 14.167 14.167
191 2HH2 ARG 22 2HH2 ARG 22 -2.250 14.585 14.585
192 H LYS 23 H LYS 23 -7.840 8.629 8.629
193 HA LYS 23 HA LYS 23 -7.863 10.493 10.493
194 1HB LYS 23 2HB LYS 23 -7.004 7.578 7.578
195 2HB LYS 23 1HB LYS 23 -6.934 8.419 8.419
196 1HG LYS 23 2HG LYS 23 -5.389 10.072 10.072
197 2HG LYS 23 1HG LYS 23 -5.625 9.623 9.623
198 1HD LYS 23 2HD LYS 23 -3.560 8.719 8.719
199 2HD LYS 23 1HD LYS 23 -3.708 8.542 8.542
200 1HE LYS 23 2HE LYS 23 -3.611 6.294 6.294
201 2HE LYS 23 1HE LYS 23 -5.333 6.511 6.511
202 1HZ LYS 23 2HZ LYS 23 -4.354 7.225 7.225
203 2HZ LYS 23 1HZ LYS 23 -3.642 5.741 5.741
204 3HZ LYS 23 3HZ LYS 23 -5.319 5.896 5.896
205 H ARG 24 H ARG 24 -9.181 7.256 7.256
206 HA ARG 24 HA ARG 24 -11.064 7.111 7.111
207 1HB ARG 24 2HB ARG 24 -10.896 5.923 5.923
208 2HB ARG 24 1HB ARG 24 -12.343 5.622 5.622
209 1HG ARG 24 2HG ARG 24 -9.539 5.093 5.093
210 2HG ARG 24 1HG ARG 24 -10.449 3.871 3.871
211 1HD ARG 24 2HD ARG 24 -11.141 5.166 5.166
212 2HD ARG 24 1HD ARG 24 -10.821 3.478 3.478
213 HE ARG 24 HE ARG 24 -13.010 3.588 3.588
214 1HH1 ARG 24 1HH2 ARG 24 -13.797 6.251 6.251
215 2HH1 ARG 24 2HH2 ARG 24 -14.796 6.293 6.293
216 1HH2 ARG 24 2HH1 ARG 24 -13.448 3.124 3.124
217 2HH2 ARG 24 1HH1 ARG 24 -14.565 4.341 4.341
218 H GLN 25 H GLN 25 -11.215 9.586 9.586
219 HA GLN 25 HA GLN 25 -14.158 9.645 9.645
220 1HB GLN 25 2HB GLN 25 -11.833 11.132 11.132
221 2HB GLN 25 1HB GLN 25 -13.175 12.164 12.164
222 1HG GLN 25 2HG GLN 25 -14.579 10.254 10.254
223 2HG GLN 25 1HG GLN 25 -13.029 9.967 9.967
224 1HE2 GLN 25 2HE2 GLN 25 -14.717 12.548 12.548
225 2HE2 GLN 25 1HE2 GLN 25 -14.974 10.901 10.901
226 H GLN 26 H GLN 26 -11.586 10.768 10.768
227 HA GLN 26 HA GLN 26 -13.410 12.267 12.267
228 1HB GLN 26 2HB GLN 26 -11.244 13.734 13.734
229 2HB GLN 26 1HB GLN 26 -12.152 14.017 14.017
230 1HG GLN 26 2HG GLN 26 -10.332 13.656 13.656
231 2HG GLN 26 1HG GLN 26 -10.225 12.012 12.012
232 1HE2 GLN 26 2HE2 GLN 26 -7.437 14.511 14.511
233 2HE2 GLN 26 1HE2 GLN 26 -8.539 14.983 14.983
234 1HN NH2 27 1HT GLN 26 -10.196 12.218 12.218
235 2HN NH2 27 2HT GLN 26 -10.361 10.825 10.825
Start of MODEL 5
1 1H GLY 1 3H GLY 1 4.598 -3.136 -3.136
2 2H GLY 1 2H GLY 1 5.606 -2.472 -2.472
3 3H GLY 1 1H GLY 1 5.631 -4.149 -4.149
4 1HA GLY 1 2HA GLY 1 3.964 -4.467 -4.467
5 2HA GLY 1 1HA GLY 1 3.962 -2.718 -2.718
6 H ILE 2 H ILE 2 1.424 -3.736 -3.736
7 HA ILE 2 HA ILE 2 0.402 -3.309 -3.309
8 HB ILE 2 HB ILE 2 -1.726 -4.444 -4.444
9 1HG1 ILE 2 2HG1 ILE 2 -1.198 -6.097 -6.097
10 2HG1 ILE 2 1HG1 ILE 2 0.310 -5.296 -5.296
11 1HG2 ILE 2 3HG2 ILE 2 0.876 -5.970 -5.970
12 2HG2 ILE 2 2HG2 ILE 2 -0.708 -6.716 -6.716
13 3HG2 ILE 2 1HG2 ILE 2 -0.319 -5.558 -5.558
14 1HD1 ILE 2 3HD1 ILE 2 -2.105 -3.508 -3.508
15 2HD1 ILE 2 2HD1 ILE 2 -2.102 -4.765 -4.765
16 3HD1 ILE 2 1HD1 ILE 2 -0.793 -3.612 -3.612
17 H GLY 3 H GLY 3 0.179 -2.139 -2.139
18 1HA GLY 3 2HA GLY 3 -1.865 -0.757 -0.757
19 2HA GLY 3 1HA GLY 3 -0.376 0.138 0.138
20 H ALA 4 H ALA 4 -0.114 0.631 0.631
21 HA ALA 4 HA ALA 4 -2.424 2.413 2.413
22 1HB ALA 4 3HB ALA 4 -0.179 3.487 3.487
23 2HB ALA 4 2HB ALA 4 0.405 2.423 2.423
24 3HB ALA 4 1HB ALA 4 -0.841 3.607 3.607
25 H VAL 5 H VAL 5 -0.555 -0.228 -0.228
26 HA VAL 5 HA VAL 5 -1.342 -0.138 -0.138
27 HB VAL 5 HB VAL 5 -1.103 -2.726 -2.726
28 1HG1 VAL 5 1HG1 VAL 5 -1.712 -2.570 -2.570
29 2HG1 VAL 5 3HG1 VAL 5 0.001 -2.238 -2.238
30 3HG1 VAL 5 2HG1 VAL 5 -0.521 -3.742 -3.742
31 1HG2 VAL 5 2HG2 VAL 5 1.143 -0.893 -0.893
32 2HG2 VAL 5 1HG2 VAL 5 0.884 -1.398 -1.398
33 3HG2 VAL 5 3HG2 VAL 5 1.404 -2.561 -2.561
34 H LEU 6 H LEU 6 -2.885 -1.458 -1.458
35 HA LEU 6 HA LEU 6 -5.193 -2.576 -2.576
36 1HB LEU 6 2HB LEU 6 -5.111 -1.380 -1.380
37 2HB LEU 6 1HB LEU 6 -6.264 -2.547 -2.547
38 HG LEU 6 HG LEU 6 -3.279 -3.012 -3.012
39 1HD1 LEU 6 1HD1 LEU 6 -5.760 -4.185 -4.185
40 2HD1 LEU 6 3HD1 LEU 6 -4.117 -4.694 -4.694
41 3HD1 LEU 6 2HD1 LEU 6 -4.626 -3.062 -3.062
42 1HD2 LEU 6 2HD2 LEU 6 -5.402 -4.800 -4.800
43 2HD2 LEU 6 1HD2 LEU 6 -3.845 -4.341 -4.341
44 3HD2 LEU 6 3HD2 LEU 6 -3.925 -5.454 -5.454
45 H LYS 7 H LYS 7 -4.322 0.632 0.632
46 HA LYS 7 HA LYS 7 -7.079 1.694 1.694
47 1HB LYS 7 2HB LYS 7 -4.497 3.152 3.152
48 2HB LYS 7 1HB LYS 7 -6.104 3.855 3.855
49 1HG LYS 7 2HG LYS 7 -6.837 2.202 2.202
50 2HG LYS 7 1HG LYS 7 -5.179 1.636 1.636
51 1HD LYS 7 2HD LYS 7 -4.451 3.957 3.957
52 2HD LYS 7 1HD LYS 7 -6.092 4.524 4.524
53 1HE LYS 7 2HE LYS 7 -5.586 4.082 4.082
54 2HE LYS 7 1HE LYS 7 -6.895 3.066 3.066
55 1HZ LYS 7 3HZ LYS 7 -4.442 1.750 1.750
56 2HZ LYS 7 2HZ LYS 7 -4.445 2.251 2.251
57 3HZ LYS 7 1HZ LYS 7 -5.694 1.266 1.266
58 H VAL 8 H VAL 8 -4.496 0.782 0.782
59 HA VAL 8 HA VAL 8 -4.697 2.912 2.912
60 HB VAL 8 HB VAL 8 -2.991 0.397 0.397
61 1HG1 VAL 8 1HG1 VAL 8 -3.393 0.818 0.818
62 2HG1 VAL 8 3HG1 VAL 8 -2.525 2.341 2.341
63 3HG1 VAL 8 2HG1 VAL 8 -1.728 0.815 0.815
64 1HG2 VAL 8 2HG2 VAL 8 -2.612 2.610 2.610
65 2HG2 VAL 8 1HG2 VAL 8 -1.216 1.866 1.866
66 3HG2 VAL 8 3HG2 VAL 8 -1.984 3.256 3.256
67 H LEU 9 H LEU 9 -5.082 -0.601 -0.601
68 HA LEU 9 HA LEU 9 -6.498 -0.761 -0.761
69 1HB LEU 9 2HB LEU 9 -6.863 -3.133 -3.133
70 2HB LEU 9 1HB LEU 9 -5.246 -2.584 -2.584
71 HG LEU 9 HG LEU 9 -4.763 -2.351 -2.351
72 1HD1 LEU 9 1HD1 LEU 9 -7.707 -3.123 -3.123
73 2HD1 LEU 9 3HD1 LEU 9 -6.610 -3.424 -3.424
74 3HD1 LEU 9 2HD1 LEU 9 -6.888 -1.787 -1.787
75 1HD2 LEU 9 2HD2 LEU 9 -5.961 -4.950 -4.950
76 2HD2 LEU 9 1HD2 LEU 9 -4.301 -4.398 -4.398
77 3HD2 LEU 9 3HD2 LEU 9 -4.920 -4.800 -4.800
78 H THR 10 H THR 10 -7.611 0.711 0.711
79 HA THR 10 HA THR 10 -10.289 -0.558 -0.558
80 HB THR 10 HB THR 10 -10.095 1.663 1.663
81 HG1 THR 10 HG1 THR 10 -7.958 0.013 0.013
82 1HG2 THR 10 2HG2 THR 10 -9.729 -1.374 -1.374
83 2HG2 THR 10 1HG2 THR 10 -9.760 -0.259 -0.259
84 3HG2 THR 10 3HG2 THR 10 -11.173 -0.444 -0.444
85 H THR 11 H THR 11 -8.450 2.110 2.110
86 HA THR 11 HA THR 11 -10.889 3.551 3.551
87 HB THR 11 HB THR 11 -9.536 4.848 4.848
88 HG1 THR 11 HG1 THR 11 -9.791 5.385 5.385
89 1HG2 THR 11 1HG2 THR 11 -7.186 3.995 3.995
90 2HG2 THR 11 3HG2 THR 11 -7.126 5.451 5.451
91 3HG2 THR 11 2HG2 THR 11 -7.348 3.898 3.898
92 H GLY 12 H GLY 12 -7.892 2.099 2.099
93 1HA GLY 12 2HA GLY 12 -8.486 1.265 1.265
94 2HA GLY 12 1HA GLY 12 -7.931 2.914 2.914
95 H LEU 13 H LEU 13 -5.900 3.325 3.325
96 HA LEU 13 HA LEU 13 -3.810 1.698 1.698
97 1HB LEU 13 2HB LEU 13 -4.544 1.410 1.410
98 2HB LEU 13 1HB LEU 13 -2.834 1.679 1.679
99 HG LEU 13 HG LEU 13 -4.057 -0.335 -0.335
100 1HD1 LEU 13 3HD1 LEU 13 -4.032 -0.765 -0.765
101 2HD1 LEU 13 2HD1 LEU 13 -3.976 -2.092 -2.092
102 3HD1 LEU 13 1HD1 LEU 13 -5.355 -1.012 -1.012
103 1HD2 LEU 13 1HD2 LEU 13 -1.541 0.302 0.302
104 2HD2 LEU 13 3HD2 LEU 13 -1.975 -1.381 -1.381
105 3HD2 LEU 13 2HD2 LEU 13 -1.675 -0.731 -0.731
106 HA PRO 14 HA DPR 14 -1.872 5.507 5.507
107 1HB PRO 14 2HB DPR 14 -2.624 6.681 6.681
108 2HB PRO 14 1HB DPR 14 -4.248 6.891 6.891
109 1HG PRO 14 2HG DPR 14 -3.131 4.460 4.460
110 2HG PRO 14 1HG DPR 14 -4.715 5.206 5.206
111 1HD PRO 14 2HD DPR 14 -4.452 3.015 3.015
112 2HD PRO 14 1HD DPR 14 -5.502 4.331 4.331
113 H ALA 15 H ALA 15 -1.808 5.900 5.900
114 HA ALA 15 HA ALA 15 -3.386 8.307 8.307
115 1HB ALA 15 1HB ALA 15 -0.877 8.425 8.425
116 2HB ALA 15 3HB ALA 15 -0.878 7.217 7.217
117 3HB ALA 15 2HB ALA 15 -1.624 8.786 8.786
118 H LEU 16 H LEU 16 -3.182 4.957 4.957
119 HA LEU 16 HA LEU 16 -3.692 4.846 4.846
120 1HB LEU 16 2HB LEU 16 -4.553 3.231 3.231
121 2HB LEU 16 1HB LEU 16 -5.319 2.870 2.870
122 HG LEU 16 HG LEU 16 -3.213 1.571 1.571
123 1HD1 LEU 16 1HD1 LEU 16 -4.212 2.262 2.262
124 2HD1 LEU 16 3HD1 LEU 16 -2.650 3.054 3.054
125 3HD1 LEU 16 2HD1 LEU 16 -2.737 1.328 1.328
126 1HD2 LEU 16 3HD2 LEU 16 -1.825 3.366 3.366
127 2HD2 LEU 16 2HD2 LEU 16 -1.022 2.574 2.574
128 3HD2 LEU 16 1HD2 LEU 16 -1.738 4.152 4.152
129 H ILE 17 H ILE 17 -6.092 5.519 5.519
130 HA ILE 17 HA ILE 17 -8.370 5.521 5.521
131 HB ILE 17 HB ILE 17 -8.963 7.363 7.363
132 1HG1 ILE 17 2HG1 ILE 17 -8.120 6.328 6.328
133 2HG1 ILE 17 1HG1 ILE 17 -7.080 5.264 5.264
134 1HG2 ILE 17 3HG2 ILE 17 -10.309 5.403 5.403
135 2HG2 ILE 17 2HG2 ILE 17 -9.157 4.341 4.341
136 3HG2 ILE 17 1HG2 ILE 17 -10.110 5.479 5.479
137 1HD1 ILE 17 3HD1 ILE 17 -6.748 8.149 8.149
138 2HD1 ILE 17 2HD1 ILE 17 -6.427 7.781 7.781
139 3HD1 ILE 17 1HD1 ILE 17 -5.537 6.952 6.952
140 H SER 18 H SER 18 -5.859 7.737 7.737
141 HA SER 18 HA SER 18 -7.245 9.927 9.927
142 1HB SER 18 2HB SER 18 -4.646 9.872 9.872
143 2HB SER 18 1HB SER 18 -5.365 11.324 11.324
144 HG SER 18 HG SER 18 -7.269 9.898 9.898
145 H TRP 19 H TRP 19 -5.547 7.314 7.314
146 HA TRP 19 HA TRP 19 -3.905 8.406 8.406
147 1HB TRP 19 2HB TRP 19 -3.187 6.623 6.623
148 2HB TRP 19 1HB TRP 19 -3.765 5.458 5.458
149 HD1 TRP 19 HD1 TRP 19 -0.632 6.559 6.559
150 HE1 TRP 19 HE1 TRP 19 1.237 6.486 6.486
151 HE3 TRP 19 HE3 TRP 19 -3.462 6.334 6.334
152 HZ2 TRP 19 HZ2 TRP 19 1.484 6.364 6.364
153 HZ3 TRP 19 HZ3 TRP 19 -2.285 6.231 6.231
154 HH2 TRP 19 HH2 TRP 19 0.182 6.249 6.249
155 H ILE 20 H ILE 20 -5.729 5.351 5.351
156 HA ILE 20 HA ILE 20 -6.365 5.502 5.502
157 HB ILE 20 HB ILE 20 -6.147 3.382 3.382
158 1HG1 ILE 20 2HG1 ILE 20 -6.300 1.964 1.964
159 2HG1 ILE 20 1HG1 ILE 20 -6.464 3.471 3.471
160 1HG2 ILE 20 3HG2 ILE 20 -8.604 3.559 3.559
161 2HG2 ILE 20 2HG2 ILE 20 -8.697 3.359 3.359
162 3HG2 ILE 20 1HG2 ILE 20 -8.102 2.039 2.039
163 1HD1 ILE 20 2HD1 ILE 20 -4.270 4.235 4.235
164 2HD1 ILE 20 1HD1 ILE 20 -4.149 2.706 2.706
165 3HD1 ILE 20 3HD1 ILE 20 -4.085 2.741 2.741
166 H LYS 21 H LYS 21 -8.126 6.043 6.043
167 HA LYS 21 HA LYS 21 -10.656 6.051 6.051
168 1HB LYS 21 2HB LYS 21 -9.887 6.710 6.710
169 2HB LYS 21 1HB LYS 21 -11.454 7.172 7.172
170 1HG LYS 21 2HG LYS 21 -11.434 4.575 4.575
171 2HG LYS 21 1HG LYS 21 -10.251 4.423 4.423
172 1HD LYS 21 2HD LYS 21 -12.249 3.981 3.981
173 2HD LYS 21 1HD LYS 21 -12.008 5.685 5.685
174 1HE LYS 21 2HE LYS 21 -13.508 6.158 6.158
175 2HE LYS 21 1HE LYS 21 -13.887 4.443 4.443
176 1HZ LYS 21 3HZ LYS 21 -14.253 5.431 5.431
177 2HZ LYS 21 2HZ LYS 21 -15.063 6.455 6.455
178 3HZ LYS 21 1HZ LYS 21 -15.417 4.805 4.805
179 H ARG 22 H ARG 22 -8.166 8.273 8.273
180 HA ARG 22 HA ARG 22 -9.730 10.665 10.665
181 1HB ARG 22 2HB ARG 22 -7.616 10.555 10.555
182 2HB ARG 22 1HB ARG 22 -6.684 10.258 10.258
183 1HG ARG 22 2HG ARG 22 -6.534 12.514 12.514
184 2HG ARG 22 1HG ARG 22 -8.254 12.589 12.589
185 1HD ARG 22 2HD ARG 22 -8.289 14.021 14.021
186 2HD ARG 22 1HD ARG 22 -8.196 12.566 12.566
187 HE ARG 22 HE ARG 22 -5.651 12.851 12.851
188 1HH1 ARG 22 2HH1 ARG 22 -5.890 15.208 15.208
189 2HH1 ARG 22 1HH1 ARG 22 -5.630 16.562 16.562
190 1HH2 ARG 22 1HH2 ARG 22 -6.262 14.484 14.484
191 2HH2 ARG 22 2HH2 ARG 22 -5.852 16.102 16.102
192 H LYS 23 H LYS 23 -7.791 8.382 8.382
193 HA LYS 23 HA LYS 23 -7.951 10.032 10.032
194 1HB LYS 23 2HB LYS 23 -6.197 8.764 8.764
195 2HB LYS 23 1HB LYS 23 -5.981 8.322 8.322
196 1HG LYS 23 2HG LYS 23 -7.465 6.287 6.287
197 2HG LYS 23 1HG LYS 23 -7.487 6.720 6.720
198 1HD LYS 23 2HD LYS 23 -4.732 6.702 6.702
199 2HD LYS 23 1HD LYS 23 -5.332 5.454 5.454
200 1HE LYS 23 2HE LYS 23 -4.957 4.241 4.241
201 2HE LYS 23 1HE LYS 23 -6.679 4.556 4.556
202 1HZ LYS 23 3HZ LYS 23 -5.290 6.748 6.748
203 2HZ LYS 23 2HZ LYS 23 -4.755 5.320 5.320
204 3HZ LYS 23 1HZ LYS 23 -6.416 5.726 5.726
205 H ARG 24 H ARG 24 -9.450 7.114 7.114
206 HA ARG 24 HA ARG 24 -10.767 6.248 6.248
207 1HB ARG 24 2HB ARG 24 -11.354 5.960 5.960
208 2HB ARG 24 1HB ARG 24 -12.538 5.404 5.404
209 1HG ARG 24 2HG ARG 24 -9.629 4.563 4.563
210 2HG ARG 24 1HG ARG 24 -10.588 3.772 3.772
211 1HD ARG 24 2HD ARG 24 -10.879 3.665 3.665
212 2HD ARG 24 1HD ARG 24 -10.890 2.336 2.336
213 HE ARG 24 HE ARG 24 -13.187 4.221 4.221
214 1HH1 ARG 24 1HH2 ARG 24 -12.931 2.904 2.904
215 2HH1 ARG 24 2HH2 ARG 24 -13.894 1.465 1.465
216 1HH2 ARG 24 2HH1 ARG 24 -13.881 1.840 1.840
217 2HH2 ARG 24 1HH1 ARG 24 -14.512 0.824 0.824
218 H GLN 25 H GLN 25 -11.226 9.133 9.133
219 HA GLN 25 HA GLN 25 -14.076 9.350 9.350
220 1HB GLN 25 2HB GLN 25 -12.351 10.867 10.867
221 2HB GLN 25 1HB GLN 25 -13.626 11.753 11.753
222 1HG GLN 25 2HG GLN 25 -15.149 9.655 9.655
223 2HG GLN 25 1HG GLN 25 -13.891 9.454 9.454
224 1HE2 GLN 25 2HE2 GLN 25 -14.747 12.708 12.708
225 2HE2 GLN 25 1HE2 GLN 25 -13.332 11.894 11.894
226 H GLN 26 H GLN 26 -10.953 9.964 9.964
227 HA GLN 26 HA GLN 26 -11.897 12.005 12.005
228 1HB GLN 26 2HB GLN 26 -10.161 12.846 12.846
229 2HB GLN 26 1HB GLN 26 -9.068 11.587 11.587
230 1HG GLN 26 2HG GLN 26 -8.816 12.568 12.568
231 2HG GLN 26 1HG GLN 26 -10.288 13.520 13.520
232 1HE2 GLN 26 2HE2 GLN 26 -7.231 15.646 15.646
233 2HE2 GLN 26 1HE2 GLN 26 -7.573 14.551 14.551
234 1HN NH2 27 1HT GLN 26 -12.402 10.559 10.559
235 2HN NH2 27 2HT GLN 26 -11.265 9.468 9.468
Start of MODEL 6
1 1H GLY 1 3H GLY 1 5.450 -3.113 -3.113
2 2H GLY 1 2H GLY 1 6.487 -2.295 -2.295
3 3H GLY 1 1H GLY 1 6.546 -3.994 -3.994
4 1HA GLY 1 2HA GLY 1 4.947 -4.174 -4.174
5 2HA GLY 1 1HA GLY 1 4.913 -2.399 -2.399
6 H ILE 2 H ILE 2 2.457 -3.576 -3.576
7 HA ILE 2 HA ILE 2 1.243 -3.339 -3.339
8 HB ILE 2 HB ILE 2 -0.701 -4.616 -4.616
9 1HG1 ILE 2 2HG1 ILE 2 1.514 -5.575 -5.575
10 2HG1 ILE 2 1HG1 ILE 2 0.433 -4.286 -4.286
11 1HG2 ILE 2 3HG2 ILE 2 2.008 -5.826 -5.826
12 2HG2 ILE 2 2HG2 ILE 2 0.597 -6.817 -6.817
13 3HG2 ILE 2 1HG2 ILE 2 0.590 -5.687 -5.687
14 1HD1 ILE 2 1HD1 ILE 2 -0.776 -6.841 -6.841
15 2HD1 ILE 2 3HD1 ILE 2 -0.173 -6.786 -6.786
16 3HD1 ILE 2 2HD1 ILE 2 -1.442 -5.687 -5.687
17 H GLY 3 H GLY 3 1.086 -2.152 -2.152
18 1HA GLY 3 2HA GLY 3 -0.927 -0.923 -0.923
19 2HA GLY 3 1HA GLY 3 0.380 0.149 0.149
20 H ALA 4 H ALA 4 0.261 0.897 0.897
21 HA ALA 4 HA ALA 4 -2.522 1.848 1.848
22 1HB ALA 4 3HB ALA 4 0.150 2.910 2.910
23 2HB ALA 4 2HB ALA 4 -1.417 3.613 3.613
24 3HB ALA 4 1HB ALA 4 -0.801 3.613 3.613
25 H VAL 5 H VAL 5 -0.055 -0.113 -0.113
26 HA VAL 5 HA VAL 5 -0.598 -0.129 -0.129
27 HB VAL 5 HB VAL 5 0.121 -2.638 -2.638
28 1HG1 VAL 5 3HG1 VAL 5 -0.159 -2.518 -2.518
29 2HG1 VAL 5 2HG1 VAL 5 1.396 -1.704 -1.704
30 3HG1 VAL 5 1HG1 VAL 5 1.245 -3.332 -3.332
31 1HG2 VAL 5 1HG2 VAL 5 1.850 -0.167 -0.167
32 2HG2 VAL 5 3HG2 VAL 5 1.665 -1.076 -1.076
33 3HG2 VAL 5 2HG2 VAL 5 2.583 -1.751 -1.751
34 H LEU 6 H LEU 6 -2.278 -1.565 -1.565
35 HA LEU 6 HA LEU 6 -4.055 -3.125 -3.125
36 1HB LEU 6 2HB LEU 6 -4.187 -2.743 -2.743
37 2HB LEU 6 1HB LEU 6 -5.170 -3.853 -3.853
38 HG LEU 6 HG LEU 6 -2.121 -3.951 -3.951
39 1HD1 LEU 6 1HD1 LEU 6 -4.279 -5.587 -5.587
40 2HD1 LEU 6 3HD1 LEU 6 -2.586 -6.028 -6.028
41 3HD1 LEU 6 2HD1 LEU 6 -3.091 -4.541 -4.541
42 1HD2 LEU 6 1HD2 LEU 6 -4.213 -5.716 -5.716
43 2HD2 LEU 6 3HD2 LEU 6 -2.775 -5.013 -5.013
44 3HD2 LEU 6 2HD2 LEU 6 -2.629 -6.341 -6.341
45 H LYS 7 H LYS 7 -3.912 -0.026 -0.026
46 HA LYS 7 HA LYS 7 -6.856 0.384 0.384
47 1HB LYS 7 2HB LYS 7 -4.545 2.368 2.368
48 2HB LYS 7 1HB LYS 7 -6.246 2.752 2.752
49 1HG LYS 7 2HG LYS 7 -6.426 1.030 1.030
50 2HG LYS 7 1HG LYS 7 -4.721 0.671 0.671
51 1HD LYS 7 2HD LYS 7 -4.219 3.123 3.123
52 2HD LYS 7 1HD LYS 7 -5.907 3.360 3.360
53 1HE LYS 7 2HE LYS 7 -4.399 1.109 1.109
54 2HE LYS 7 1HE LYS 7 -4.104 2.749 2.749
55 1HZ LYS 7 1HZ LYS 7 -6.892 2.361 2.361
56 2HZ LYS 7 3HZ LYS 7 -6.240 1.077 1.077
57 3HZ LYS 7 2HZ LYS 7 -6.001 2.675 2.675
58 H VAL 8 H VAL 8 -3.943 1.070 1.070
59 HA VAL 8 HA VAL 8 -4.803 2.801 2.801
60 HB VAL 8 HB VAL 8 -2.871 0.410 0.410
61 1HG1 VAL 8 3HG1 VAL 8 -3.415 1.099 1.099
62 2HG1 VAL 8 2HG1 VAL 8 -2.754 2.691 2.691
63 3HG1 VAL 8 1HG1 VAL 8 -1.727 1.270 1.270
64 1HG2 VAL 8 1HG2 VAL 8 -2.634 2.714 2.714
65 2HG2 VAL 8 3HG2 VAL 8 -1.266 1.784 1.784
66 3HG2 VAL 8 2HG2 VAL 8 -1.779 3.201 3.201
67 H LEU 9 H LEU 9 -5.318 -0.598 -0.598
68 HA LEU 9 HA LEU 9 -6.721 -0.813 -0.813
69 1HB LEU 9 2HB LEU 9 -6.715 -3.109 -3.109
70 2HB LEU 9 1HB LEU 9 -6.440 -3.101 -3.101
71 HG LEU 9 HG LEU 9 -4.399 -2.119 -2.119
72 1HD1 LEU 9 3HD1 LEU 9 -4.623 -4.758 -4.758
73 2HD1 LEU 9 2HD1 LEU 9 -3.211 -4.211 -4.211
74 3HD1 LEU 9 1HD1 LEU 9 -4.734 -4.464 -4.464
75 1HD2 LEU 9 2HD2 LEU 9 -4.185 -1.109 -1.109
76 2HD2 LEU 9 1HD2 LEU 9 -2.830 -2.136 -2.136
77 3HD2 LEU 9 3HD2 LEU 9 -4.080 -2.737 -2.737
78 H THR 10 H THR 10 -7.824 0.616 0.616
79 HA THR 10 HA THR 10 -10.430 -0.878 -0.878
80 HB THR 10 HB THR 10 -9.822 1.390 1.390
81 HG1 THR 10 HG1 THR 10 -8.281 -0.843 -0.843
82 1HG2 THR 10 3HG2 THR 10 -10.991 -1.433 -1.433
83 2HG2 THR 10 2HG2 THR 10 -10.913 -0.199 -0.199
84 3HG2 THR 10 1HG2 THR 10 -11.951 0.031 0.031
85 H THR 11 H THR 11 -8.938 1.893 1.893
86 HA THR 11 HA THR 11 -11.649 3.065 3.065
87 HB THR 11 HB THR 11 -9.266 4.954 4.954
88 HG1 THR 11 HG1 THR 11 -10.006 3.398 3.398
89 1HG2 THR 11 1HG2 THR 11 -11.957 5.001 5.001
90 2HG2 THR 11 3HG2 THR 11 -10.829 6.341 6.341
91 3HG2 THR 11 2HG2 THR 11 -11.671 5.779 5.779
92 H GLY 12 H GLY 12 -8.323 3.276 3.276
93 1HA GLY 12 2HA GLY 12 -9.313 2.491 2.491
94 2HA GLY 12 1HA GLY 12 -8.477 4.036 4.036
95 H LEU 13 H LEU 13 -6.337 4.043 4.043
96 HA LEU 13 HA LEU 13 -4.563 2.025 2.025
97 1HB LEU 13 2HB LEU 13 -5.484 1.826 1.826
98 2HB LEU 13 1HB LEU 13 -3.738 1.968 1.968
99 HG LEU 13 HG LEU 13 -5.056 0.021 0.021
100 1HD1 LEU 13 2HD1 LEU 13 -4.974 -0.307 -0.307
101 2HD1 LEU 13 1HD1 LEU 13 -4.848 -1.703 -1.703
102 3HD1 LEU 13 3HD1 LEU 13 -6.268 -0.680 -0.680
103 1HD2 LEU 13 3HD2 LEU 13 -2.511 0.546 0.546
104 2HD2 LEU 13 2HD2 LEU 13 -2.982 -1.141 -1.141
105 3HD2 LEU 13 1HD2 LEU 13 -2.599 -0.323 -0.323
106 HA PRO 14 HA DPR 14 -2.085 5.580 5.580
107 1HB PRO 14 2HB DPR 14 -2.464 6.728 6.728
108 2HB PRO 14 1HB DPR 14 -4.034 7.319 7.319
109 1HG PRO 14 2HG DPR 14 -3.388 4.749 4.749
110 2HG PRO 14 1HG DPR 14 -4.850 5.722 5.722
111 1HD PRO 14 2HD DPR 14 -4.765 3.390 3.390
112 2HD PRO 14 1HD DPR 14 -5.774 4.756 4.756
113 H ALA 15 H ALA 15 -2.053 6.128 6.128
114 HA ALA 15 HA ALA 15 -3.593 8.579 8.579
115 1HB ALA 15 3HB ALA 15 -1.103 8.645 8.645
116 2HB ALA 15 2HB ALA 15 -1.136 7.420 7.420
117 3HB ALA 15 1HB ALA 15 -1.845 9.001 9.001
118 H LEU 16 H LEU 16 -3.571 5.254 5.254
119 HA LEU 16 HA LEU 16 -4.021 5.059 5.059
120 1HB LEU 16 2HB LEU 16 -5.229 3.762 3.762
121 2HB LEU 16 1HB LEU 16 -6.044 3.463 3.463
122 HG LEU 16 HG LEU 16 -4.192 1.857 1.857
123 1HD1 LEU 16 3HD1 LEU 16 -4.518 3.181 3.181
124 2HD1 LEU 16 2HD1 LEU 16 -3.112 2.148 2.148
125 3HD1 LEU 16 1HD1 LEU 16 -4.714 1.499 1.499
126 1HD2 LEU 16 3HD2 LEU 16 -2.436 3.362 3.362
127 2HD2 LEU 16 2HD2 LEU 16 -1.847 2.439 2.439
128 3HD2 LEU 16 1HD2 LEU 16 -2.294 4.112 4.112
129 H ILE 17 H ILE 17 -6.411 6.316 6.316
130 HA ILE 17 HA ILE 17 -8.622 6.528 6.528
131 HB ILE 17 HB ILE 17 -8.137 8.894 8.894
132 1HG1 ILE 17 2HG1 ILE 17 -8.867 7.269 7.269
133 2HG1 ILE 17 1HG1 ILE 17 -8.177 5.999 5.999
134 1HG2 ILE 17 3HG2 ILE 17 -10.310 8.379 8.379
135 2HG2 ILE 17 2HG2 ILE 17 -10.439 6.932 6.932
136 3HG2 ILE 17 1HG2 ILE 17 -10.439 8.522 8.522
137 1HD1 ILE 17 1HD1 ILE 17 -6.248 8.152 8.152
138 2HD1 ILE 17 3HD1 ILE 17 -6.825 7.985 7.985
139 3HD1 ILE 17 2HD1 ILE 17 -6.113 6.614 6.614
140 H SER 18 H SER 18 -5.856 8.678 8.678
141 HA SER 18 HA SER 18 -7.019 10.434 10.434
142 1HB SER 18 2HB SER 18 -4.987 10.807 10.807
143 2HB SER 18 1HB SER 18 -4.549 11.555 11.555
144 HG SER 18 HG SER 18 -6.718 12.046 12.046
145 H TRP 19 H TRP 19 -5.565 7.685 7.685
146 HA TRP 19 HA TRP 19 -3.659 8.107 8.107
147 1HB TRP 19 2HB TRP 19 -3.344 6.638 6.638
148 2HB TRP 19 1HB TRP 19 -3.943 5.371 5.371
149 HD1 TRP 19 HD1 TRP 19 -0.785 6.413 6.413
150 HE1 TRP 19 HE1 TRP 19 1.191 5.850 5.850
151 HE3 TRP 19 HE3 TRP 19 -3.316 5.562 5.562
152 HZ2 TRP 19 HZ2 TRP 19 1.610 5.161 5.161
153 HZ3 TRP 19 HZ3 TRP 19 -2.019 4.930 4.930
154 HH2 TRP 19 HH2 TRP 19 0.438 4.729 4.729
155 H ILE 20 H ILE 20 -5.983 5.552 5.552
156 HA ILE 20 HA ILE 20 -6.533 5.172 5.172
157 HB ILE 20 HB ILE 20 -6.600 3.553 3.553
158 1HG1 ILE 20 2HG1 ILE 20 -6.804 2.747 2.747
159 2HG1 ILE 20 1HG1 ILE 20 -5.302 3.103 3.103
160 1HG2 ILE 20 3HG2 ILE 20 -9.024 3.412 3.412
161 2HG2 ILE 20 2HG2 ILE 20 -8.587 2.183 2.183
162 3HG2 ILE 20 1HG2 ILE 20 -9.005 3.801 3.801
163 1HD1 ILE 20 3HD1 ILE 20 -6.555 1.205 1.205
164 2HD1 ILE 20 2HD1 ILE 20 -6.855 0.630 0.630
165 3HD1 ILE 20 1HD1 ILE 20 -5.214 0.922 0.922
166 H LYS 21 H LYS 21 -8.297 6.169 6.169
167 HA LYS 21 HA LYS 21 -10.771 6.440 6.440
168 1HB LYS 21 2HB LYS 21 -10.086 6.613 6.613
169 2HB LYS 21 1HB LYS 21 -10.557 8.254 8.254
170 1HG LYS 21 2HG LYS 21 -12.661 7.368 7.368
171 2HG LYS 21 1HG LYS 21 -12.228 5.745 5.745
172 1HD LYS 21 2HD LYS 21 -12.122 6.588 6.588
173 2HD LYS 21 1HD LYS 21 -12.599 8.180 8.180
174 1HE LYS 21 2HE LYS 21 -14.720 7.021 7.021
175 2HE LYS 21 1HE LYS 21 -14.258 5.616 5.616
176 1HZ LYS 21 1HZ LYS 21 -14.148 7.904 7.904
177 2HZ LYS 21 3HZ LYS 21 -15.617 7.902 7.902
178 3HZ LYS 21 2HZ LYS 21 -15.191 6.565 6.565
179 H ARG 22 H ARG 22 -7.912 8.316 8.316
180 HA ARG 22 HA ARG 22 -9.308 10.771 10.771
181 1HB ARG 22 2HB ARG 22 -7.165 10.438 10.438
182 2HB ARG 22 1HB ARG 22 -6.294 10.458 10.458
183 1HG ARG 22 2HG ARG 22 -7.717 12.668 12.668
184 2HG ARG 22 1HG ARG 22 -8.001 12.622 12.622
185 1HD ARG 22 2HD ARG 22 -5.325 12.365 12.365
186 2HD ARG 22 1HD ARG 22 -5.391 13.090 13.090
187 HE ARG 22 HE ARG 22 -6.889 14.875 14.875
188 1HH1 ARG 22 1HH2 ARG 22 -6.244 13.472 13.472
189 2HH1 ARG 22 2HH2 ARG 22 -5.044 14.487 14.487
190 1HH2 ARG 22 2HH1 ARG 22 -4.490 16.021 16.021
191 2HH2 ARG 22 1HH1 ARG 22 -3.932 16.055 16.055
192 H LYS 23 H LYS 23 -7.659 8.057 8.057
193 HA LYS 23 HA LYS 23 -7.272 9.255 9.255
194 1HB LYS 23 2HB LYS 23 -5.598 7.662 7.662
195 2HB LYS 23 1HB LYS 23 -6.716 6.364 6.364
196 1HG LYS 23 2HG LYS 23 -6.246 8.016 8.016
197 2HG LYS 23 1HG LYS 23 -4.732 7.506 7.506
198 1HD LYS 23 2HD LYS 23 -5.340 5.834 5.834
199 2HD LYS 23 1HD LYS 23 -5.595 5.112 5.112
200 1HE LYS 23 2HE LYS 23 -7.943 5.141 5.141
201 2HE LYS 23 1HE LYS 23 -7.942 6.555 6.555
202 1HZ LYS 23 1HZ LYS 23 -6.634 4.518 4.518
203 2HZ LYS 23 3HZ LYS 23 -8.108 3.893 3.893
204 3HZ LYS 23 2HZ LYS 23 -8.060 5.313 5.313
205 H ARG 24 H ARG 24 -8.998 6.473 6.473
206 HA ARG 24 HA ARG 24 -10.387 5.525 5.525
207 1HB ARG 24 2HB ARG 24 -11.100 5.662 5.662
208 2HB ARG 24 1HB ARG 24 -12.275 5.058 5.058
209 1HG ARG 24 2HG ARG 24 -10.332 3.468 3.468
210 2HG ARG 24 1HG ARG 24 -9.563 3.882 3.882
211 1HD ARG 24 2HD ARG 24 -11.216 2.795 2.795
212 2HD ARG 24 1HD ARG 24 -12.464 3.000 3.000
213 HE ARG 24 HE ARG 24 -10.233 1.000 1.000
214 1HH1 ARG 24 1HH2 ARG 24 -12.032 1.686 1.686
215 2HH1 ARG 24 2HH2 ARG 24 -13.227 0.439 0.439
216 1HH2 ARG 24 2HH1 ARG 24 -12.326 -0.418 -0.418
217 2HH2 ARG 24 1HH1 ARG 24 -13.410 -0.824 -0.824
218 H GLN 25 H GLN 25 -10.763 8.586 8.586
219 HA GLN 25 HA GLN 25 -13.533 8.920 8.920
220 1HB GLN 25 2HB GLN 25 -13.064 11.341 11.341
221 2HB GLN 25 1HB GLN 25 -13.431 10.010 10.010
222 1HG GLN 25 2HG GLN 25 -11.079 9.657 9.657
223 2HG GLN 25 1HG GLN 25 -10.577 10.750 10.750
224 1HE2 GLN 25 2HE2 GLN 25 -10.339 13.245 13.245
225 2HE2 GLN 25 1HE2 GLN 25 -9.543 12.322 12.322
226 H GLN 26 H GLN 26 -10.291 9.678 9.678
227 HA GLN 26 HA GLN 26 -9.354 11.291 11.291
228 1HB GLN 26 2HB GLN 26 -10.824 9.032 9.032
229 2HB GLN 26 1HB GLN 26 -10.181 10.251 10.251
230 1HG GLN 26 2HG GLN 26 -7.913 9.884 9.884
231 2HG GLN 26 1HG GLN 26 -8.428 8.920 8.920
232 1HE2 GLN 26 1HE2 GLN 26 -9.060 8.885 8.885
233 2HE2 GLN 26 2HE2 GLN 26 -8.819 7.213 7.213
234 1HN NH2 27 1HT GLN 26 -11.439 12.924 12.924
235 2HN NH2 27 2HT GLN 26 -12.132 13.703 13.703
Start of MODEL 7
1 1H GLY 1 3H GLY 1 4.930 -3.802 -3.802
2 2H GLY 1 2H GLY 1 5.929 -3.189 -3.189
3 3H GLY 1 1H GLY 1 5.964 -4.850 -4.850
4 1HA GLY 1 2HA GLY 1 4.302 -5.247 -5.247
5 2HA GLY 1 1HA GLY 1 4.273 -3.512 -3.512
6 H ILE 2 H ILE 2 1.788 -4.499 -4.499
7 HA ILE 2 HA ILE 2 0.724 -4.006 -4.006
8 HB ILE 2 HB ILE 2 -1.322 -5.205 -5.205
9 1HG1 ILE 2 2HG1 ILE 2 -0.516 -4.948 -4.948
10 2HG1 ILE 2 1HG1 ILE 2 -1.253 -6.442 -6.442
11 1HG2 ILE 2 2HG2 ILE 2 1.317 -6.540 -6.540
12 2HG2 ILE 2 1HG2 ILE 2 -0.093 -7.504 -7.504
13 3HG2 ILE 2 3HG2 ILE 2 -0.127 -6.443 -6.443
14 1HD1 ILE 2 1HD1 ILE 2 1.671 -6.603 -6.603
15 2HD1 ILE 2 3HD1 ILE 2 1.217 -6.256 -6.256
16 3HD1 ILE 2 2HD1 ILE 2 0.579 -7.663 -7.663
17 H GLY 3 H GLY 3 0.538 -3.036 -3.036
18 1HA GLY 3 2HA GLY 3 -1.365 -1.704 -1.704
19 2HA GLY 3 1HA GLY 3 0.029 -0.713 -0.713
20 H ALA 4 H ALA 4 -0.007 0.305 0.305
21 HA ALA 4 HA ALA 4 -2.753 1.419 1.419
22 1HB ALA 4 3HB ALA 4 -0.694 2.931 2.931
23 2HB ALA 4 2HB ALA 4 -0.194 2.544 2.544
24 3HB ALA 4 1HB ALA 4 -1.719 3.358 3.358
25 H VAL 5 H VAL 5 -0.469 -0.610 -0.610
26 HA VAL 5 HA VAL 5 -1.014 -0.216 -0.216
27 HB VAL 5 HB VAL 5 -0.592 -2.986 -2.986
28 1HG1 VAL 5 2HG1 VAL 5 0.214 -1.707 -1.707
29 2HG1 VAL 5 1HG1 VAL 5 0.899 -3.230 -3.230
30 3HG1 VAL 5 3HG1 VAL 5 -0.822 -3.096 -3.096
31 1HG2 VAL 5 1HG2 VAL 5 1.484 -0.765 -0.765
32 2HG2 VAL 5 3HG2 VAL 5 1.112 -1.657 -1.657
33 3HG2 VAL 5 2HG2 VAL 5 1.933 -2.454 -2.454
34 H LEU 6 H LEU 6 -2.477 -2.224 -2.224
35 HA LEU 6 HA LEU 6 -4.605 -3.349 -3.349
36 1HB LEU 6 2HB LEU 6 -4.571 -2.542 -2.542
37 2HB LEU 6 1HB LEU 6 -5.792 -3.570 -3.570
38 HG LEU 6 HG LEU 6 -2.865 -4.317 -4.317
39 1HD1 LEU 6 2HD1 LEU 6 -4.726 -4.723 -4.723
40 2HD1 LEU 6 1HD1 LEU 6 -3.345 -5.763 -5.763
41 3HD1 LEU 6 3HD1 LEU 6 -3.109 -4.043 -4.043
42 1HD2 LEU 6 3HD2 LEU 6 -4.692 -5.532 -5.532
43 2HD2 LEU 6 2HD2 LEU 6 -3.765 -6.571 -6.571
44 3HD2 LEU 6 1HD2 LEU 6 -5.370 -6.048 -6.048
45 H LYS 7 H LYS 7 -4.234 -0.105 -0.105
46 HA LYS 7 HA LYS 7 -7.134 0.403 0.403
47 1HB LYS 7 2HB LYS 7 -5.547 1.406 1.406
48 2HB LYS 7 1HB LYS 7 -5.175 2.604 2.604
49 1HG LYS 7 2HG LYS 7 -7.230 3.623 3.623
50 2HG LYS 7 1HG LYS 7 -8.100 2.110 2.110
51 1HD LYS 7 2HD LYS 7 -7.176 1.806 1.806
52 2HD LYS 7 1HD LYS 7 -6.903 3.529 3.529
53 1HE LYS 7 2HE LYS 7 -9.614 2.293 2.293
54 2HE LYS 7 1HE LYS 7 -9.178 2.609 2.609
55 1HZ LYS 7 2HZ LYS 7 -8.604 4.919 4.919
56 2HZ LYS 7 1HZ LYS 7 -10.160 4.408 4.408
57 3HZ LYS 7 3HZ LYS 7 -9.789 4.734 4.734
58 H VAL 8 H VAL 8 -4.033 0.833 0.833
59 HA VAL 8 HA VAL 8 -4.641 2.905 2.905
60 HB VAL 8 HB VAL 8 -2.690 0.542 0.542
61 1HG1 VAL 8 2HG1 VAL 8 -3.290 1.068 1.068
62 2HG1 VAL 8 1HG1 VAL 8 -2.265 2.478 2.478
63 3HG1 VAL 8 3HG1 VAL 8 -1.630 0.862 0.862
64 1HG2 VAL 8 3HG2 VAL 8 -2.422 3.562 3.562
65 2HG2 VAL 8 2HG2 VAL 8 -2.027 2.360 2.360
66 3HG2 VAL 8 1HG2 VAL 8 -1.013 2.535 2.535
67 H LEU 9 H LEU 9 -5.479 -0.426 -0.426
68 HA LEU 9 HA LEU 9 -6.594 -0.442 -0.442
69 1HB LEU 9 2HB LEU 9 -7.131 -2.712 -2.712
70 2HB LEU 9 1HB LEU 9 -6.687 -2.749 -2.749
71 HG LEU 9 HG LEU 9 -4.767 -2.059 -2.059
72 1HD1 LEU 9 3HD1 LEU 9 -5.273 -4.632 -4.632
73 2HD1 LEU 9 2HD1 LEU 9 -3.784 -4.304 -4.304
74 3HD1 LEU 9 1HD1 LEU 9 -5.320 -4.315 -4.315
75 1HD2 LEU 9 3HD2 LEU 9 -4.210 -1.070 -1.070
76 2HD2 LEU 9 2HD2 LEU 9 -3.015 -2.211 -2.211
77 3HD2 LEU 9 1HD2 LEU 9 -4.186 -2.704 -2.704
78 H THR 10 H THR 10 -7.681 1.070 1.070
79 HA THR 10 HA THR 10 -10.487 0.022 0.022
80 HB THR 10 HB THR 10 -9.569 2.260 2.260
81 HG1 THR 10 HG1 THR 10 -8.589 -0.262 -0.262
82 1HG2 THR 10 1HG2 THR 10 -11.457 -0.149 -0.149
83 2HG2 THR 10 3HG2 THR 10 -11.186 1.103 1.103
84 3HG2 THR 10 2HG2 THR 10 -11.995 1.492 1.492
85 H THR 11 H THR 11 -8.541 2.189 2.189
86 HA THR 11 HA THR 11 -10.844 3.970 3.970
87 HB THR 11 HB THR 11 -8.387 5.350 5.350
88 HG1 THR 11 HG1 THR 11 -8.455 3.995 3.995
89 1HG2 THR 11 2HG2 THR 11 -10.454 5.674 5.674
90 2HG2 THR 11 1HG2 THR 11 -8.950 6.568 6.568
91 3HG2 THR 11 3HG2 THR 11 -9.994 6.799 6.799
92 H GLY 12 H GLY 12 -7.648 3.529 3.529
93 1HA GLY 12 2HA GLY 12 -8.608 2.060 2.060
94 2HA GLY 12 1HA GLY 12 -7.795 3.624 3.624
95 H LEU 13 H LEU 13 -5.751 3.894 3.894
96 HA LEU 13 HA LEU 13 -4.092 2.135 2.135
97 1HB LEU 13 2HB LEU 13 -4.384 1.509 1.509
98 2HB LEU 13 1HB LEU 13 -2.712 1.746 1.746
99 HG LEU 13 HG LEU 13 -4.441 0.005 0.005
100 1HD1 LEU 13 2HD1 LEU 13 -3.325 -0.872 -0.872
101 2HD1 LEU 13 1HD1 LEU 13 -3.863 -1.977 -1.977
102 3HD1 LEU 13 3HD1 LEU 13 -5.004 -0.873 -0.873
103 1HD2 LEU 13 1HD2 LEU 13 -2.008 0.611 0.611
104 2HD2 LEU 13 3HD2 LEU 13 -2.328 -1.115 -1.115
105 3HD2 LEU 13 2HD2 LEU 13 -1.547 -0.316 -0.316
106 HA PRO 14 HA DPR 14 -1.582 5.735 5.735
107 1HB PRO 14 2HB DPR 14 -1.804 6.843 6.843
108 2HB PRO 14 1HB DPR 14 -3.444 7.369 7.369
109 1HG PRO 14 2HG DPR 14 -2.542 4.803 4.803
110 2HG PRO 14 1HG DPR 14 -4.010 5.727 5.727
111 1HD PRO 14 2HD DPR 14 -4.096 3.445 3.445
112 2HD PRO 14 1HD DPR 14 -5.129 4.809 4.809
113 H ALA 15 H ALA 15 -1.700 6.473 6.473
114 HA ALA 15 HA ALA 15 -3.611 8.712 8.712
115 1HB ALA 15 3HB ALA 15 -1.163 9.151 9.151
116 2HB ALA 15 2HB ALA 15 -1.118 7.968 7.968
117 3HB ALA 15 1HB ALA 15 -2.063 9.434 9.434
118 H LEU 16 H LEU 16 -3.394 5.491 5.491
119 HA LEU 16 HA LEU 16 -3.927 5.350 5.350
120 1HB LEU 16 2HB LEU 16 -4.382 3.626 3.626
121 2HB LEU 16 1HB LEU 16 -5.601 3.372 3.372
122 HG LEU 16 HG LEU 16 -2.856 3.688 3.688
123 1HD1 LEU 16 1HD1 LEU 16 -2.247 2.575 2.575
124 2HD1 LEU 16 3HD1 LEU 16 -3.294 1.226 1.226
125 3HD1 LEU 16 2HD1 LEU 16 -1.905 1.629 1.629
126 1HD2 LEU 16 1HD2 LEU 16 -4.992 2.870 2.870
127 2HD2 LEU 16 3HD2 LEU 16 -3.549 1.910 1.910
128 3HD2 LEU 16 2HD2 LEU 16 -4.772 1.362 1.362
129 H ILE 17 H ILE 17 -6.118 6.614 6.614
130 HA ILE 17 HA ILE 17 -8.543 6.297 6.297
131 HB ILE 17 HB ILE 17 -8.484 8.817 8.817
132 1HG1 ILE 17 2HG1 ILE 17 -8.552 7.290 7.290
133 2HG1 ILE 17 1HG1 ILE 17 -7.459 6.279 6.279
134 1HG2 ILE 17 2HG2 ILE 17 -10.511 7.625 7.625
135 2HG2 ILE 17 1HG2 ILE 17 -10.151 6.290 6.290
136 3HG2 ILE 17 3HG2 ILE 17 -10.522 7.878 7.878
137 1HD1 ILE 17 3HD1 ILE 17 -7.018 9.304 9.304
138 2HD1 ILE 17 2HD1 ILE 17 -6.405 8.146 8.146
139 3HD1 ILE 17 1HD1 ILE 17 -5.838 8.110 8.110
140 H SER 18 H SER 18 -5.977 8.625 8.625
141 HA SER 18 HA SER 18 -7.373 10.235 10.235
142 1HB SER 18 2HB SER 18 -5.082 10.779 10.779
143 2HB SER 18 1HB SER 18 -5.239 11.747 11.747
144 HG SER 18 HG SER 18 -6.712 12.744 12.744
145 H TRP 19 H TRP 19 -5.793 7.598 7.598
146 HA TRP 19 HA TRP 19 -3.888 8.052 8.052
147 1HB TRP 19 2HB TRP 19 -3.521 6.787 6.787
148 2HB TRP 19 1HB TRP 19 -4.184 5.402 5.402
149 HD1 TRP 19 HD1 TRP 19 -1.194 6.156 6.156
150 HE1 TRP 19 HE1 TRP 19 0.874 5.518 5.518
151 HE3 TRP 19 HE3 TRP 19 -3.376 5.739 5.739
152 HZ2 TRP 19 HZ2 TRP 19 1.470 4.944 4.944
153 HZ3 TRP 19 HZ3 TRP 19 -1.953 5.124 5.124
154 HH2 TRP 19 HH2 TRP 19 0.458 4.727 4.727
155 H ILE 20 H ILE 20 -6.127 5.349 5.349
156 HA ILE 20 HA ILE 20 -6.639 5.051 5.051
157 HB ILE 20 HB ILE 20 -6.684 3.290 3.290
158 1HG1 ILE 20 2HG1 ILE 20 -6.630 1.523 1.523
159 2HG1 ILE 20 1HG1 ILE 20 -6.767 2.815 2.815
160 1HG2 ILE 20 3HG2 ILE 20 -9.081 3.260 3.260
161 2HG2 ILE 20 2HG2 ILE 20 -8.655 1.941 1.941
162 3HG2 ILE 20 1HG2 ILE 20 -9.080 3.528 3.528
163 1HD1 ILE 20 2HD1 ILE 20 -4.604 3.636 3.636
164 2HD1 ILE 20 1HD1 ILE 20 -4.415 1.899 1.899
165 3HD1 ILE 20 3HD1 ILE 20 -4.474 2.877 2.877
166 H LYS 21 H LYS 21 -8.349 5.894 5.894
167 HA LYS 21 HA LYS 21 -10.908 6.039 6.039
168 1HB LYS 21 2HB LYS 21 -9.886 6.518 6.518
169 2HB LYS 21 1HB LYS 21 -10.946 7.831 7.831
170 1HG LYS 21 2HG LYS 21 -12.497 5.807 5.807
171 2HG LYS 21 1HG LYS 21 -11.501 4.850 4.850
172 1HD LYS 21 2HD LYS 21 -12.535 5.656 5.656
173 2HD LYS 21 1HD LYS 21 -12.373 7.325 7.325
174 1HE LYS 21 2HE LYS 21 -14.368 7.182 7.182
175 2HE LYS 21 1HE LYS 21 -14.512 5.452 5.452
176 1HZ LYS 21 1HZ LYS 21 -14.421 6.744 6.744
177 2HZ LYS 21 3HZ LYS 21 -15.572 7.543 7.543
178 3HZ LYS 21 2HZ LYS 21 -15.688 5.866 5.866
179 H ARG 22 H ARG 22 -8.137 7.952 7.952
180 HA ARG 22 HA ARG 22 -9.641 10.392 10.392
181 1HB ARG 22 2HB ARG 22 -7.509 10.606 10.606
182 2HB ARG 22 1HB ARG 22 -6.622 9.801 9.801
183 1HG ARG 22 2HG ARG 22 -8.093 11.969 11.969
184 2HG ARG 22 1HG ARG 22 -7.412 12.617 12.617
185 1HD ARG 22 2HD ARG 22 -5.764 11.062 11.062
186 2HD ARG 22 1HD ARG 22 -5.905 12.809 12.809
187 HE ARG 22 HE ARG 22 -4.784 11.279 11.279
188 1HH1 ARG 22 1HH2 ARG 22 -5.605 14.157 14.157
189 2HH1 ARG 22 2HH2 ARG 22 -4.104 15.007 15.007
190 1HH2 ARG 22 2HH1 ARG 22 -2.540 12.026 12.026
191 2HH2 ARG 22 1HH1 ARG 22 -2.200 13.691 13.691
192 H LYS 23 H LYS 23 -7.142 8.325 8.325
193 HA LYS 23 HA LYS 23 -7.545 9.201 9.201
194 1HB LYS 23 2HB LYS 23 -6.173 7.388 7.388
195 2HB LYS 23 1HB LYS 23 -5.607 7.754 7.754
196 1HG LYS 23 2HG LYS 23 -5.760 5.425 5.425
197 2HG LYS 23 1HG LYS 23 -7.281 5.962 5.962
198 1HD LYS 23 2HD LYS 23 -8.496 4.842 4.842
199 2HD LYS 23 1HD LYS 23 -7.743 5.659 5.659
200 1HE LYS 23 2HE LYS 23 -6.494 3.295 3.295
201 2HE LYS 23 1HE LYS 23 -7.606 3.102 3.102
202 1HZ LYS 23 3HZ LYS 23 -5.686 5.019 5.019
203 2HZ LYS 23 2HZ LYS 23 -4.864 3.712 3.712
204 3HZ LYS 23 1HZ LYS 23 -5.861 3.462 3.462
205 H ARG 24 H ARG 24 -9.360 6.664 6.664
206 HA ARG 24 HA ARG 24 -10.581 5.769 5.769
207 1HB ARG 24 2HB ARG 24 -10.549 4.692 4.692
208 2HB ARG 24 1HB ARG 24 -12.140 5.440 5.440
209 1HG ARG 24 2HG ARG 24 -12.612 4.295 4.295
210 2HG ARG 24 1HG ARG 24 -11.081 3.464 3.464
211 1HD ARG 24 2HD ARG 24 -12.567 1.892 1.892
212 2HD ARG 24 1HD ARG 24 -12.022 2.692 2.692
213 HE ARG 24 HE ARG 24 -14.150 4.164 4.164
214 1HH1 ARG 24 2HH1 ARG 24 -15.136 3.096 3.096
215 2HH1 ARG 24 1HH1 ARG 24 -16.240 1.832 1.832
216 1HH2 ARG 24 1HH2 ARG 24 -14.777 1.726 1.726
217 2HH2 ARG 24 2HH2 ARG 24 -16.010 0.974 0.974
218 H GLN 25 H GLN 25 -10.962 8.562 8.562
219 HA GLN 25 HA GLN 25 -13.724 9.004 9.004
220 1HB GLN 25 2HB GLN 25 -12.045 10.421 10.421
221 2HB GLN 25 1HB GLN 25 -13.550 11.088 11.088
222 1HG GLN 25 2HG GLN 25 -14.538 8.689 8.689
223 2HG GLN 25 1HG GLN 25 -13.114 8.555 8.555
224 1HE2 GLN 25 2HE2 GLN 25 -16.087 10.280 10.280
225 2HE2 GLN 25 1HE2 GLN 25 -16.095 8.931 8.931
226 H GLN 26 H GLN 26 -10.530 10.373 10.373
227 HA GLN 26 HA GLN 26 -11.041 12.045 12.045
228 1HB GLN 26 2HB GLN 26 -8.962 12.454 12.454
229 2HB GLN 26 1HB GLN 26 -9.241 13.538 13.538
230 1HG GLN 26 2HG GLN 26 -11.366 14.243 14.243
231 2HG GLN 26 1HG GLN 26 -11.494 12.900 12.900
232 1HE2 GLN 26 2HE2 GLN 26 -9.732 14.619 14.619
233 2HE2 GLN 26 1HE2 GLN 26 -10.597 13.209 13.209
234 1HN NH2 27 1HT GLN 26 -10.337 10.561 10.561
235 2HN NH2 27 2HT GLN 26 -8.775 9.895 9.895
Start of MODEL 8
1 1H GLY 1 2H GLY 1 4.901 -2.676 -2.676
2 2H GLY 1 1H GLY 1 5.643 -2.195 -2.195
3 3H GLY 1 3H GLY 1 5.877 -3.775 -3.775
4 1HA GLY 1 2HA GLY 1 4.050 -4.483 -4.483
5 2HA GLY 1 1HA GLY 1 3.817 -2.834 -2.834
6 H ILE 2 H ILE 2 1.425 -3.911 -3.911
7 HA ILE 2 HA ILE 2 0.814 -3.069 -3.069
8 HB ILE 2 HB ILE 2 -1.317 -4.551 -4.551
9 1HG1 ILE 2 2HG1 ILE 2 -0.873 -6.453 -6.453
10 2HG1 ILE 2 1HG1 ILE 2 0.593 -5.713 -5.713
11 1HG2 ILE 2 2HG2 ILE 2 1.489 -5.643 -5.643
12 2HG2 ILE 2 1HG2 ILE 2 0.040 -6.606 -6.606
13 3HG2 ILE 2 3HG2 ILE 2 0.323 -5.195 -5.195
14 1HD1 ILE 2 2HD1 ILE 2 -1.905 -4.043 -4.043
15 2HD1 ILE 2 1HD1 ILE 2 -1.846 -5.474 -5.474
16 3HD1 ILE 2 3HD1 ILE 2 -0.612 -4.252 -4.252
17 H GLY 3 H GLY 3 0.141 -2.413 -2.413
18 1HA GLY 3 2HA GLY 3 -1.988 -1.347 -1.347
19 2HA GLY 3 1HA GLY 3 -0.683 -0.203 -0.203
20 H ALA 4 H ALA 4 -0.593 0.992 0.992
21 HA ALA 4 HA ALA 4 -3.377 1.850 1.850
22 1HB ALA 4 3HB ALA 4 -1.766 3.612 3.612
23 2HB ALA 4 2HB ALA 4 -0.756 3.252 3.252
24 3HB ALA 4 1HB ALA 4 -2.373 3.888 3.888
25 H VAL 5 H VAL 5 -0.845 0.052 0.052
26 HA VAL 5 HA VAL 5 -1.066 0.632 0.632
27 HB VAL 5 HB VAL 5 -0.515 -2.141 -2.141
28 1HG1 VAL 5 1HG1 VAL 5 -0.746 -1.932 -1.932
29 2HG1 VAL 5 3HG1 VAL 5 0.610 -0.817 -0.817
30 3HG1 VAL 5 2HG1 VAL 5 0.841 -2.487 -2.487
31 1HG2 VAL 5 1HG2 VAL 5 1.362 0.266 0.266
32 2HG2 VAL 5 3HG2 VAL 5 1.000 -0.663 -0.663
33 3HG2 VAL 5 2HG2 VAL 5 1.970 -1.372 -1.372
34 H LEU 6 H LEU 6 -2.637 -1.462 -1.462
35 HA LEU 6 HA LEU 6 -4.484 -2.758 -2.758
36 1HB LEU 6 2HB LEU 6 -4.951 -1.959 -1.959
37 2HB LEU 6 1HB LEU 6 -5.872 -3.151 -3.151
38 HG LEU 6 HG LEU 6 -2.941 -3.324 -3.324
39 1HD1 LEU 6 3HD1 LEU 6 -5.411 -4.912 -4.912
40 2HD1 LEU 6 2HD1 LEU 6 -3.780 -5.346 -5.346
41 3HD1 LEU 6 1HD1 LEU 6 -4.480 -3.832 -3.832
42 1HD2 LEU 6 3HD2 LEU 6 -4.617 -5.116 -5.116
43 2HD2 LEU 6 2HD2 LEU 6 -3.024 -4.452 -4.452
44 3HD2 LEU 6 1HD2 LEU 6 -3.219 -5.747 -5.747
45 H LYS 7 H LYS 7 -4.361 0.484 0.484
46 HA LYS 7 HA LYS 7 -7.222 0.989 0.989
47 1HB LYS 7 2HB LYS 7 -5.115 2.488 2.488
48 2HB LYS 7 1HB LYS 7 -6.339 3.425 3.425
49 1HG LYS 7 2HG LYS 7 -8.135 2.459 2.459
50 2HG LYS 7 1HG LYS 7 -7.173 1.092 1.092
51 1HD LYS 7 2HD LYS 7 -6.049 2.234 2.234
52 2HD LYS 7 1HD LYS 7 -6.180 3.796 3.796
53 1HE LYS 7 2HE LYS 7 -8.509 2.304 2.304
54 2HE LYS 7 1HE LYS 7 -7.611 3.625 3.625
55 1HZ LYS 7 3HZ LYS 7 -8.440 4.414 4.414
56 2HZ LYS 7 2HZ LYS 7 -9.792 3.794 3.794
57 3HZ LYS 7 1HZ LYS 7 -8.910 5.070 5.070
58 H VAL 8 H VAL 8 -4.317 0.843 0.843
59 HA VAL 8 HA VAL 8 -4.762 3.143 3.143
60 HB VAL 8 HB VAL 8 -2.610 1.038 1.038
61 1HG1 VAL 8 2HG1 VAL 8 -3.082 2.520 2.520
62 2HG1 VAL 8 1HG1 VAL 8 -1.443 2.624 2.624
63 3HG1 VAL 8 3HG1 VAL 8 -2.175 1.058 1.058
64 1HG2 VAL 8 1HG2 VAL 8 -2.605 2.973 2.973
65 2HG2 VAL 8 3HG2 VAL 8 -1.194 3.033 3.033
66 3HG2 VAL 8 2HG2 VAL 8 -2.575 4.074 4.074
67 H LEU 9 H LEU 9 -4.651 -0.394 -0.394
68 HA LEU 9 HA LEU 9 -5.662 -0.340 -0.340
69 1HB LEU 9 2HB LEU 9 -5.165 -2.553 -2.553
70 2HB LEU 9 1HB LEU 9 -3.856 -1.831 -1.831
71 HG LEU 9 HG LEU 9 -6.088 -3.677 -3.677
72 1HD1 LEU 9 1HD1 LEU 9 -3.892 -4.524 -4.524
73 2HD1 LEU 9 3HD1 LEU 9 -3.065 -3.531 -3.531
74 3HD1 LEU 9 2HD1 LEU 9 -4.092 -4.863 -4.863
75 1HD2 LEU 9 1HD2 LEU 9 -6.054 -1.755 -1.755
76 2HD2 LEU 9 3HD2 LEU 9 -5.514 -3.266 -3.266
77 3HD2 LEU 9 2HD2 LEU 9 -4.331 -2.057 -2.057
78 H THR 10 H THR 10 -7.248 0.376 0.376
79 HA THR 10 HA THR 10 -9.540 -1.489 -1.489
80 HB THR 10 HB THR 10 -10.038 0.382 0.382
81 HG1 THR 10 HG1 THR 10 -7.512 -0.639 -0.639
82 1HG2 THR 10 2HG2 THR 10 -8.771 -2.428 -2.428
83 2HG2 THR 10 1HG2 THR 10 -9.227 -1.587 -1.587
84 3HG2 THR 10 3HG2 THR 10 -10.452 -2.041 -2.041
85 H THR 11 H THR 11 -8.436 1.606 1.606
86 HA THR 11 HA THR 11 -11.233 2.503 2.503
87 HB THR 11 HB THR 11 -8.870 4.450 4.450
88 HG1 THR 11 HG1 THR 11 -9.391 2.976 2.976
89 1HG2 THR 11 2HG2 THR 11 -11.358 5.122 5.122
90 2HG2 THR 11 1HG2 THR 11 -11.538 4.668 4.668
91 3HG2 THR 11 3HG2 THR 11 -10.463 5.982 5.982
92 H GLY 12 H GLY 12 -7.921 2.834 2.834
93 1HA GLY 12 2HA GLY 12 -8.825 1.685 1.685
94 2HA GLY 12 1HA GLY 12 -8.152 3.329 3.329
95 H LEU 13 H LEU 13 -6.130 3.300 3.300
96 HA LEU 13 HA LEU 13 -4.177 1.617 1.617
97 1HB LEU 13 2HB LEU 13 -5.037 1.173 1.173
98 2HB LEU 13 1HB LEU 13 -3.300 1.395 1.395
99 HG LEU 13 HG LEU 13 -4.826 -0.560 -0.560
100 1HD1 LEU 13 3HD1 LEU 13 -3.632 -0.924 -0.924
101 2HD1 LEU 13 2HD1 LEU 13 -3.841 -2.276 -2.276
102 3HD1 LEU 13 1HD1 LEU 13 -5.236 -1.365 -1.365
103 1HD2 LEU 13 1HD2 LEU 13 -1.879 -0.173 -0.173
104 2HD2 LEU 13 3HD2 LEU 13 -2.597 -0.007 -0.007
105 3HD2 LEU 13 2HD2 LEU 13 -2.480 -1.584 -1.584
106 HA PRO 14 HA DPR 14 -1.808 5.197 5.197
107 1HB PRO 14 2HB DPR 14 -2.326 6.551 6.551
108 2HB PRO 14 1HB DPR 14 -3.890 7.019 7.019
109 1HG PRO 14 2HG DPR 14 -3.186 4.605 4.605
110 2HG PRO 14 1HG DPR 14 -4.684 5.523 5.523
111 1HD PRO 14 2HD DPR 14 -4.489 3.104 3.104
112 2HD PRO 14 1HD DPR 14 -5.538 4.380 4.380
113 H ALA 15 H ALA 15 -1.841 5.345 5.345
114 HA ALA 15 HA ALA 15 -3.003 7.947 7.947
115 1HB ALA 15 1HB ALA 15 -0.541 7.587 7.587
116 2HB ALA 15 3HB ALA 15 -0.864 6.312 6.312
117 3HB ALA 15 2HB ALA 15 -1.328 7.975 7.975
118 H LEU 16 H LEU 16 -3.503 4.592 4.592
119 HA LEU 16 HA LEU 16 -4.236 4.407 4.407
120 1HB LEU 16 2HB LEU 16 -5.234 3.143 3.143
121 2HB LEU 16 1HB LEU 16 -6.160 2.858 2.858
122 HG LEU 16 HG LEU 16 -4.293 1.209 1.209
123 1HD1 LEU 16 1HD1 LEU 16 -4.585 2.533 2.533
124 2HD1 LEU 16 3HD1 LEU 16 -3.579 1.113 1.113
125 3HD1 LEU 16 2HD1 LEU 16 -5.292 1.031 1.031
126 1HD2 LEU 16 2HD2 LEU 16 -2.470 2.843 2.843
127 2HD2 LEU 16 1HD2 LEU 16 -2.013 1.702 1.702
128 3HD2 LEU 16 3HD2 LEU 16 -2.444 3.338 3.338
129 H ILE 17 H ILE 17 -6.281 5.734 5.734
130 HA ILE 17 HA ILE 17 -8.585 6.132 6.132
131 HB ILE 17 HB ILE 17 -8.707 8.184 8.184
132 1HG1 ILE 17 2HG1 ILE 17 -7.909 7.320 7.320
133 2HG1 ILE 17 1HG1 ILE 17 -7.103 5.984 5.984
134 1HG2 ILE 17 3HG2 ILE 17 -10.378 6.429 6.429
135 2HG2 ILE 17 2HG2 ILE 17 -9.392 5.278 5.278
136 3HG2 ILE 17 1HG2 ILE 17 -10.109 6.660 6.660
137 1HD1 ILE 17 2HD1 ILE 17 -6.487 8.763 8.763
138 2HD1 ILE 17 1HD1 ILE 17 -5.879 8.341 8.341
139 3HD1 ILE 17 3HD1 ILE 17 -5.415 7.390 7.390
140 H SER 18 H SER 18 -5.627 7.809 7.809
141 HA SER 18 HA SER 18 -6.655 10.108 10.108
142 1HB SER 18 2HB SER 18 -4.331 9.704 9.704
143 2HB SER 18 1HB SER 18 -4.027 10.759 10.759
144 HG SER 18 HG SER 18 -5.146 12.167 12.167
145 H TRP 19 H TRP 19 -5.576 7.151 7.151
146 HA TRP 19 HA TRP 19 -3.883 7.901 7.901
147 1HB TRP 19 2HB TRP 19 -3.466 5.945 5.945
148 2HB TRP 19 1HB TRP 19 -4.254 4.973 4.973
149 HD1 TRP 19 HD1 TRP 19 -0.963 5.487 5.487
150 HE1 TRP 19 HE1 TRP 19 0.793 5.443 5.443
151 HE3 TRP 19 HE3 TRP 19 -3.990 6.154 6.154
152 HZ2 TRP 19 HZ2 TRP 19 0.903 5.640 5.640
153 HZ3 TRP 19 HZ3 TRP 19 -2.945 6.196 6.196
154 HH2 TRP 19 HH2 TRP 19 -0.502 5.938 5.938
155 H ILE 20 H ILE 20 -6.300 5.306 5.306
156 HA ILE 20 HA ILE 20 -7.134 5.576 5.576
157 HB ILE 20 HB ILE 20 -7.240 3.547 3.547
158 1HG1 ILE 20 2HG1 ILE 20 -7.494 3.198 3.198
159 2HG1 ILE 20 1HG1 ILE 20 -5.951 3.434 3.434
160 1HG2 ILE 20 2HG2 ILE 20 -9.604 3.893 3.893
161 2HG2 ILE 20 1HG2 ILE 20 -9.311 2.458 2.458
162 3HG2 ILE 20 3HG2 ILE 20 -9.598 4.012 4.012
163 1HD1 ILE 20 3HD1 ILE 20 -6.462 1.420 1.420
164 2HD1 ILE 20 2HD1 ILE 20 -7.897 1.135 1.135
165 3HD1 ILE 20 1HD1 ILE 20 -6.312 1.046 1.046
166 H LYS 21 H LYS 21 -8.474 6.297 6.297
167 HA LYS 21 HA LYS 21 -11.086 6.823 6.823
168 1HB LYS 21 2HB LYS 21 -9.934 6.902 6.902
169 2HB LYS 21 1HB LYS 21 -10.654 8.472 8.472
170 1HG LYS 21 2HG LYS 21 -12.702 7.097 7.097
171 2HG LYS 21 1HG LYS 21 -11.952 5.706 5.706
172 1HD LYS 21 2HD LYS 21 -12.628 6.305 6.305
173 2HD LYS 21 1HD LYS 21 -12.052 7.956 7.956
174 1HE LYS 21 2HE LYS 21 -14.121 8.458 8.458
175 2HE LYS 21 1HE LYS 21 -14.701 6.834 6.834
176 1HZ LYS 21 2HZ LYS 21 -13.998 8.013 8.013
177 2HZ LYS 21 1HZ LYS 21 -14.926 9.131 9.131
178 3HZ LYS 21 3HZ LYS 21 -15.532 7.579 7.579
179 H ARG 22 H ARG 22 -8.078 8.392 8.392
180 HA ARG 22 HA ARG 22 -8.999 11.077 11.077
181 1HB ARG 22 2HB ARG 22 -6.813 10.768 10.768
182 2HB ARG 22 1HB ARG 22 -6.217 9.738 9.738
183 1HG ARG 22 2HG ARG 22 -7.006 12.179 12.179
184 2HG ARG 22 1HG ARG 22 -6.238 12.682 12.682
185 1HD ARG 22 2HD ARG 22 -4.944 10.669 10.669
186 2HD ARG 22 1HD ARG 22 -4.688 12.396 12.396
187 HE ARG 22 HE ARG 22 -3.998 10.846 10.846
188 1HH1 ARG 22 1HH2 ARG 22 -4.068 13.849 13.849
189 2HH1 ARG 22 2HH2 ARG 22 -2.397 14.280 14.280
190 1HH2 ARG 22 2HH1 ARG 22 -1.607 10.776 10.776
191 2HH2 ARG 22 1HH1 ARG 22 -0.830 12.310 12.310
192 H LYS 23 H LYS 23 -7.115 8.612 8.612
193 HA LYS 23 HA LYS 23 -7.301 9.569 9.569
194 1HB LYS 23 2HB LYS 23 -6.022 7.509 7.509
195 2HB LYS 23 1HB LYS 23 -7.514 6.610 6.610
196 1HG LYS 23 2HG LYS 23 -6.863 8.137 8.137
197 2HG LYS 23 1HG LYS 23 -5.540 7.108 7.108
198 1HD LYS 23 2HD LYS 23 -6.783 5.722 5.722
199 2HD LYS 23 1HD LYS 23 -7.275 5.182 5.182
200 1HE LYS 23 2HE LYS 23 -9.403 6.264 6.264
201 2HE LYS 23 1HE LYS 23 -8.876 7.350 7.350
202 1HZ LYS 23 1HZ LYS 23 -8.642 4.710 4.710
203 2HZ LYS 23 3HZ LYS 23 -10.191 4.897 4.897
204 3HZ LYS 23 2HZ LYS 23 -9.638 5.957 5.957
205 H ARG 24 H ARG 24 -9.655 7.750 7.750
206 HA ARG 24 HA ARG 24 -11.512 7.262 7.262
207 1HB ARG 24 2HB ARG 24 -11.650 7.231 7.231
208 2HB ARG 24 1HB ARG 24 -13.144 7.187 7.187
209 1HG ARG 24 2HG ARG 24 -11.626 5.250 5.250
210 2HG ARG 24 1HG ARG 24 -11.071 5.079 5.079
211 1HD ARG 24 2HD ARG 24 -13.038 3.623 3.623
212 2HD ARG 24 1HD ARG 24 -13.352 4.738 4.738
213 HE ARG 24 HE ARG 24 -14.223 5.393 5.393
214 1HH1 ARG 24 2HH1 ARG 24 -15.045 7.556 7.556
215 2HH1 ARG 24 1HH1 ARG 24 -16.526 7.161 7.161
216 1HH2 ARG 24 1HH2 ARG 24 -15.858 3.682 3.682
217 2HH2 ARG 24 2HH2 ARG 24 -17.034 4.762 4.762
218 H GLN 25 H GLN 25 -10.890 10.047 10.047
219 HA GLN 25 HA GLN 25 -13.439 11.332 11.332
220 1HB GLN 25 2HB GLN 25 -11.308 12.173 12.173
221 2HB GLN 25 1HB GLN 25 -12.661 13.195 13.195
222 1HG GLN 25 2HG GLN 25 -12.872 10.375 10.375
223 2HG GLN 25 1HG GLN 25 -13.100 11.847 11.847
224 1HE2 GLN 25 2HE2 GLN 25 -16.155 12.328 12.328
225 2HE2 GLN 25 1HE2 GLN 25 -14.643 13.087 13.087
226 H GLN 26 H GLN 26 -9.970 11.796 11.796
227 HA GLN 26 HA GLN 26 -10.221 13.535 13.535
228 1HB GLN 26 2HB GLN 26 -9.530 14.515 14.515
229 2HB GLN 26 1HB GLN 26 -7.945 13.980 13.980
230 1HG GLN 26 2HG GLN 26 -9.694 15.736 15.736
231 2HG GLN 26 1HG GLN 26 -8.674 16.440 16.440
232 1HE2 GLN 26 2HE2 GLN 26 -5.673 15.806 15.806
233 2HE2 GLN 26 1HE2 GLN 26 -6.301 16.203 16.203
234 1HN NH2 27 1HT GLN 26 -8.961 12.774 12.774
235 2HN NH2 27 2HT GLN 26 -7.694 11.661 11.661
Start of MODEL 9
1 1H GLY 1 2H GLY 1 4.443 -3.919 -3.919
2 2H GLY 1 1H GLY 1 5.612 -3.241 -3.241
3 3H GLY 1 3H GLY 1 5.503 -4.934 -4.934
4 1HA GLY 1 2HA GLY 1 3.992 -5.037 -5.037
5 2HA GLY 1 1HA GLY 1 4.120 -3.270 -3.270
6 H ILE 2 H ILE 2 1.574 -4.131 -4.131
7 HA ILE 2 HA ILE 2 0.248 -3.765 -3.765
8 HB ILE 2 HB ILE 2 -1.722 -4.874 -4.874
9 1HG1 ILE 2 2HG1 ILE 2 -1.063 -4.431 -4.431
10 2HG1 ILE 2 1HG1 ILE 2 -1.613 -6.030 -6.030
11 1HG2 ILE 2 2HG2 ILE 2 0.879 -6.340 -6.340
12 2HG2 ILE 2 1HG2 ILE 2 -0.584 -7.202 -7.202
13 3HG2 ILE 2 3HG2 ILE 2 -0.542 -6.261 -6.261
14 1HD1 ILE 2 2HD1 ILE 2 1.230 -6.181 -6.181
15 2HD1 ILE 2 1HD1 ILE 2 0.920 -5.310 -5.310
16 3HD1 ILE 2 3HD1 ILE 2 0.235 -6.894 -6.894
17 H GLY 3 H GLY 3 0.206 -2.769 -2.769
18 1HA GLY 3 2HA GLY 3 -1.672 -1.312 -1.312
19 2HA GLY 3 1HA GLY 3 -0.161 -0.464 -0.464
20 H ALA 4 H ALA 4 -0.002 0.324 0.324
21 HA ALA 4 HA ALA 4 -2.410 2.053 2.053
22 1HB ALA 4 1HB ALA 4 -0.131 3.129 3.129
23 2HB ALA 4 3HB ALA 4 0.328 2.372 2.372
24 3HB ALA 4 2HB ALA 4 -0.974 3.545 3.545
25 H VAL 5 H VAL 5 -0.527 -0.404 -0.404
26 HA VAL 5 HA VAL 5 -1.357 -0.067 -0.067
27 HB VAL 5 HB VAL 5 -1.078 -2.792 -2.792
28 1HG1 VAL 5 2HG1 VAL 5 -1.759 -2.504 -2.504
29 2HG1 VAL 5 1HG1 VAL 5 -0.083 -2.042 -2.042
30 3HG1 VAL 5 3HG1 VAL 5 -0.471 -3.627 -3.627
31 1HG2 VAL 5 3HG2 VAL 5 1.097 -0.797 -0.797
32 2HG2 VAL 5 2HG2 VAL 5 0.924 -1.667 -1.667
33 3HG2 VAL 5 1HG2 VAL 5 1.436 -2.519 -2.519
34 H LEU 6 H LEU 6 -2.805 -1.718 -1.718
35 HA LEU 6 HA LEU 6 -5.148 -2.719 -2.719
36 1HB LEU 6 2HB LEU 6 -4.910 -1.774 -1.774
37 2HB LEU 6 1HB LEU 6 -6.137 -2.851 -2.851
38 HG LEU 6 HG LEU 6 -3.139 -3.437 -3.437
39 1HD1 LEU 6 1HD1 LEU 6 -5.469 -4.446 -4.446
40 2HD1 LEU 6 3HD1 LEU 6 -3.888 -5.203 -5.203
41 3HD1 LEU 6 2HD1 LEU 6 -4.065 -3.546 -3.546
42 1HD2 LEU 6 2HD2 LEU 6 -5.503 -5.053 -5.053
43 2HD2 LEU 6 1HD2 LEU 6 -4.002 -4.682 -4.682
44 3HD2 LEU 6 3HD2 LEU 6 -4.010 -5.835 -5.835
45 H LYS 7 H LYS 7 -4.316 0.469 0.469
46 HA LYS 7 HA LYS 7 -7.128 1.458 1.458
47 1HB LYS 7 2HB LYS 7 -4.548 2.937 2.937
48 2HB LYS 7 1HB LYS 7 -6.150 3.635 3.635
49 1HG LYS 7 2HG LYS 7 -5.476 1.161 1.161
50 2HG LYS 7 1HG LYS 7 -5.034 2.747 2.747
51 1HD LYS 7 2HD LYS 7 -7.566 3.392 3.392
52 2HD LYS 7 1HD LYS 7 -7.834 1.683 1.683
53 1HE LYS 7 2HE LYS 7 -8.324 2.210 2.210
54 2HE LYS 7 1HE LYS 7 -6.878 1.213 1.213
55 1HZ LYS 7 1HZ LYS 7 -6.139 3.930 3.930
56 2HZ LYS 7 3HZ LYS 7 -7.160 3.765 3.765
57 3HZ LYS 7 2HZ LYS 7 -5.749 2.833 2.833
58 H VAL 8 H VAL 8 -4.535 0.824 0.824
59 HA VAL 8 HA VAL 8 -4.977 3.037 3.037
60 HB VAL 8 HB VAL 8 -3.038 0.675 0.675
61 1HG1 VAL 8 2HG1 VAL 8 -3.613 1.127 1.127
62 2HG1 VAL 8 1HG1 VAL 8 -2.811 2.686 2.686
63 3HG1 VAL 8 3HG1 VAL 8 -1.924 1.193 1.193
64 1HG2 VAL 8 3HG2 VAL 8 -2.608 3.696 3.696
65 2HG2 VAL 8 2HG2 VAL 8 -2.537 2.598 2.598
66 3HG2 VAL 8 1HG2 VAL 8 -1.328 2.500 2.500
67 H LEU 9 H LEU 9 -5.131 -0.498 -0.498
68 HA LEU 9 HA LEU 9 -6.492 -0.765 -0.765
69 1HB LEU 9 2HB LEU 9 -6.744 -2.945 -2.945
70 2HB LEU 9 1HB LEU 9 -6.376 -3.050 -3.050
71 HG LEU 9 HG LEU 9 -4.528 -2.169 -2.169
72 1HD1 LEU 9 3HD1 LEU 9 -4.882 -4.577 -4.577
73 2HD1 LEU 9 2HD1 LEU 9 -4.399 -4.590 -4.590
74 3HD1 LEU 9 1HD1 LEU 9 -3.234 -4.168 -4.168
75 1HD2 LEU 9 2HD2 LEU 9 -4.378 -1.493 -1.493
76 2HD2 LEU 9 1HD2 LEU 9 -3.214 -1.114 -1.114
77 3HD2 LEU 9 3HD2 LEU 9 -3.078 -2.609 -2.609
78 H THR 10 H THR 10 -7.635 0.721 0.721
79 HA THR 10 HA THR 10 -10.359 -0.414 -0.414
80 HB THR 10 HB THR 10 -10.057 1.695 1.695
81 HG1 THR 10 HG1 THR 10 -8.001 -0.202 -0.202
82 1HG2 THR 10 1HG2 THR 10 -9.883 -1.383 -1.383
83 2HG2 THR 10 3HG2 THR 10 -10.050 -0.304 -0.304
84 3HG2 THR 10 2HG2 THR 10 -11.339 -0.425 -0.425
85 H THR 11 H THR 11 -8.368 1.970 1.970
86 HA THR 11 HA THR 11 -10.729 3.621 3.621
87 HB THR 11 HB THR 11 -8.047 4.976 4.976
88 HG1 THR 11 HG1 THR 11 -8.812 3.746 3.746
89 1HG2 THR 11 3HG2 THR 11 -10.727 5.662 5.662
90 2HG2 THR 11 2HG2 THR 11 -9.326 6.710 6.710
91 3HG2 THR 11 1HG2 THR 11 -10.062 6.359 6.359
92 H GLY 12 H GLY 12 -7.730 2.039 2.039
93 1HA GLY 12 2HA GLY 12 -8.235 1.122 1.122
94 2HA GLY 12 1HA GLY 12 -7.746 2.789 2.789
95 H LEU 13 H LEU 13 -5.790 3.147 3.147
96 HA LEU 13 HA LEU 13 -3.723 1.869 1.869
97 1HB LEU 13 2HB LEU 13 -3.895 1.629 1.629
98 2HB LEU 13 1HB LEU 13 -2.330 1.637 1.637
99 HG LEU 13 HG LEU 13 -3.913 -0.203 -0.203
100 1HD1 LEU 13 3HD1 LEU 13 -5.369 -0.005 -0.005
101 2HD1 LEU 13 2HD1 LEU 13 -4.196 -1.199 -1.199
102 3HD1 LEU 13 1HD1 LEU 13 -5.187 -1.500 -1.500
103 1HD2 LEU 13 2HD2 LEU 13 -1.873 -0.778 -0.778
104 2HD2 LEU 13 1HD2 LEU 13 -1.531 -0.473 -0.473
105 3HD2 LEU 13 3HD2 LEU 13 -2.414 -1.913 -1.913
106 HA PRO 14 HA DPR 14 -2.168 5.796 5.796
107 1HB PRO 14 2HB DPR 14 -3.105 6.868 6.868
108 2HB PRO 14 1HB DPR 14 -4.634 7.144 7.144
109 1HG PRO 14 2HG DPR 14 -3.771 4.699 4.699
110 2HG PRO 14 1HG DPR 14 -5.375 5.416 5.416
111 1HD PRO 14 2HD DPR 14 -4.780 3.190 3.190
112 2HD PRO 14 1HD DPR 14 -5.812 4.441 4.441
113 H ALA 15 H ALA 15 -1.955 6.112 6.112
114 HA ALA 15 HA ALA 15 -3.480 8.492 8.492
115 1HB ALA 15 2HB ALA 15 -1.007 8.728 8.728
116 2HB ALA 15 1HB ALA 15 -0.879 7.336 7.336
117 3HB ALA 15 3HB ALA 15 -1.647 8.806 8.806
118 H LEU 16 H LEU 16 -3.096 5.150 5.150
119 HA LEU 16 HA LEU 16 -3.521 5.088 5.088
120 1HB LEU 16 2HB LEU 16 -3.994 3.275 3.275
121 2HB LEU 16 1HB LEU 16 -5.139 2.987 2.987
122 HG LEU 16 HG LEU 16 -2.278 3.488 3.488
123 1HD1 LEU 16 2HD1 LEU 16 -1.868 2.098 2.098
124 2HD1 LEU 16 1HD1 LEU 16 -2.979 0.868 0.868
125 3HD1 LEU 16 3HD1 LEU 16 -1.508 1.257 1.257
126 1HD2 LEU 16 3HD2 LEU 16 -4.234 2.911 2.911
127 2HD2 LEU 16 2HD2 LEU 16 -2.800 1.921 1.921
128 3HD2 LEU 16 1HD2 LEU 16 -4.193 1.293 1.293
129 H ILE 17 H ILE 17 -6.038 5.716 5.716
130 HA ILE 17 HA ILE 17 -8.253 5.530 5.530
131 HB ILE 17 HB ILE 17 -9.027 7.475 7.475
132 1HG1 ILE 17 2HG1 ILE 17 -7.948 7.260 7.260
133 2HG1 ILE 17 1HG1 ILE 17 -6.666 6.282 6.282
134 1HG2 ILE 17 3HG2 ILE 17 -8.531 4.570 4.570
135 2HG2 ILE 17 2HG2 ILE 17 -9.516 5.625 5.625
136 3HG2 ILE 17 1HG2 ILE 17 -10.006 5.284 5.284
137 1HD1 ILE 17 1HD1 ILE 17 -7.225 8.969 8.969
138 2HD1 ILE 17 3HD1 ILE 17 -6.433 8.900 8.900
139 3HD1 ILE 17 2HD1 ILE 17 -5.692 8.115 8.115
140 H SER 18 H SER 18 -5.838 7.981 7.981
141 HA SER 18 HA SER 18 -7.260 9.820 9.820
142 1HB SER 18 2HB SER 18 -5.064 10.154 10.154
143 2HB SER 18 1HB SER 18 -5.123 11.284 11.284
144 HG SER 18 HG SER 18 -6.728 11.227 11.227
145 H TRP 19 H TRP 19 -5.561 7.276 7.276
146 HA TRP 19 HA TRP 19 -3.714 8.196 8.196
147 1HB TRP 19 2HB TRP 19 -3.217 6.581 6.581
148 2HB TRP 19 1HB TRP 19 -3.789 5.313 5.313
149 HD1 TRP 19 HD1 TRP 19 -0.834 6.076 6.076
150 HE1 TRP 19 HE1 TRP 19 1.249 5.895 5.895
151 HE3 TRP 19 HE3 TRP 19 -3.088 6.315 6.315
152 HZ2 TRP 19 HZ2 TRP 19 1.818 5.866 5.866
153 HZ3 TRP 19 HZ3 TRP 19 -1.678 6.201 6.201
154 HH2 TRP 19 HH2 TRP 19 0.771 5.976 5.976
155 H ILE 20 H ILE 20 -5.864 5.378 5.378
156 HA ILE 20 HA ILE 20 -6.285 5.324 5.324
157 HB ILE 20 HB ILE 20 -6.362 3.372 3.372
158 1HG1 ILE 20 2HG1 ILE 20 -6.290 1.797 1.797
159 2HG1 ILE 20 1HG1 ILE 20 -6.382 3.207 3.207
160 1HG2 ILE 20 3HG2 ILE 20 -8.771 3.433 3.433
161 2HG2 ILE 20 2HG2 ILE 20 -8.315 2.065 2.065
162 3HG2 ILE 20 1HG2 ILE 20 -8.779 3.592 3.592
163 1HD1 ILE 20 3HD1 ILE 20 -4.298 4.065 4.065
164 2HD1 ILE 20 2HD1 ILE 20 -4.169 2.385 2.385
165 3HD1 ILE 20 1HD1 ILE 20 -4.028 2.825 2.825
166 H LYS 21 H LYS 21 -8.235 5.926 5.926
167 HA LYS 21 HA LYS 21 -10.629 6.158 6.158
168 1HB LYS 21 2HB LYS 21 -10.111 6.139 6.139
169 2HB LYS 21 1HB LYS 21 -10.811 7.702 7.702
170 1HG LYS 21 2HG LYS 21 -12.464 6.041 6.041
171 2HG LYS 21 1HG LYS 21 -12.040 4.976 4.976
172 1HD LYS 21 2HD LYS 21 -13.039 6.386 6.386
173 2HD LYS 21 1HD LYS 21 -12.999 7.793 7.793
174 1HE LYS 21 2HE LYS 21 -14.672 6.656 6.656
175 2HE LYS 21 1HE LYS 21 -14.797 5.342 5.342
176 1HZ LYS 21 1HZ LYS 21 -15.198 7.749 7.749
177 2HZ LYS 21 3HZ LYS 21 -16.106 7.816 7.816
178 3HZ LYS 21 2HZ LYS 21 -16.340 6.528 6.528
179 H ARG 22 H ARG 22 -8.035 8.312 8.312
180 HA ARG 22 HA ARG 22 -9.421 10.752 10.752
181 1HB ARG 22 2HB ARG 22 -7.173 10.386 10.386
182 2HB ARG 22 1HB ARG 22 -6.437 10.131 10.131
183 1HG ARG 22 2HG ARG 22 -6.597 12.414 12.414
184 2HG ARG 22 1HG ARG 22 -8.087 12.659 12.659
185 1HD ARG 22 2HD ARG 22 -6.905 12.722 12.722
186 2HD ARG 22 1HD ARG 22 -5.392 12.231 12.231
187 HE ARG 22 HE ARG 22 -6.739 14.837 14.837
188 1HH1 ARG 22 2HH1 ARG 22 -4.441 13.712 13.712
189 2HH1 ARG 22 1HH1 ARG 22 -3.074 14.558 14.558
190 1HH2 ARG 22 1HH2 ARG 22 -4.982 15.611 15.611
191 2HH2 ARG 22 2HH2 ARG 22 -3.417 15.729 15.729
192 H LYS 23 H LYS 23 -7.795 8.395 8.395
193 HA LYS 23 HA LYS 23 -8.350 10.024 10.024
194 1HB LYS 23 2HB LYS 23 -7.206 8.165 8.165
195 2HB LYS 23 1HB LYS 23 -6.194 8.914 8.914
196 1HG LYS 23 2HG LYS 23 -6.604 7.092 7.092
197 2HG LYS 23 1HG LYS 23 -7.728 6.318 6.318
198 1HD LYS 23 2HD LYS 23 -5.025 6.833 6.833
199 2HD LYS 23 1HD LYS 23 -4.983 5.821 5.821
200 1HE LYS 23 2HE LYS 23 -5.261 4.282 4.282
201 2HE LYS 23 1HE LYS 23 -6.843 4.392 4.392
202 1HZ LYS 23 3HZ LYS 23 -6.648 6.422 6.422
203 2HZ LYS 23 2HZ LYS 23 -6.148 4.968 4.968
204 3HZ LYS 23 1HZ LYS 23 -7.681 5.082 5.082
205 H ARG 24 H ARG 24 -9.555 6.998 6.998
206 HA ARG 24 HA ARG 24 -11.130 6.204 6.204
207 1HB ARG 24 2HB ARG 24 -10.801 5.273 5.273
208 2HB ARG 24 1HB ARG 24 -12.506 5.631 5.631
209 1HG ARG 24 2HG ARG 24 -12.088 4.280 4.280
210 2HG ARG 24 1HG ARG 24 -10.837 3.557 3.557
211 1HD ARG 24 2HD ARG 24 -12.713 2.156 2.156
212 2HD ARG 24 1HD ARG 24 -12.722 3.163 3.163
213 HE ARG 24 HE ARG 24 -14.475 4.588 4.588
214 1HH1 ARG 24 1HH2 ARG 24 -14.469 3.751 3.751
215 2HH1 ARG 24 2HH2 ARG 24 -15.637 2.498 2.498
216 1HH2 ARG 24 2HH1 ARG 24 -15.631 1.978 1.978
217 2HH2 ARG 24 1HH1 ARG 24 -16.351 1.404 1.404
218 H GLN 25 H GLN 25 -11.518 8.745 8.745
219 HA GLN 25 HA GLN 25 -14.348 9.205 9.205
220 1HB GLN 25 2HB GLN 25 -12.643 10.534 10.534
221 2HB GLN 25 1HB GLN 25 -14.313 10.954 10.954
222 1HG GLN 25 2HG GLN 25 -14.797 8.383 8.383
223 2HG GLN 25 1HG GLN 25 -13.231 8.375 8.375
224 1HE2 GLN 25 2HE2 GLN 25 -14.888 11.060 11.060
225 2HE2 GLN 25 1HE2 GLN 25 -13.813 11.299 11.299
226 H GLN 26 H GLN 26 -11.415 9.932 9.932
227 HA GLN 26 HA GLN 26 -12.245 12.634 12.634
228 1HB GLN 26 2HB GLN 26 -10.013 12.281 12.281
229 2HB GLN 26 1HB GLN 26 -9.374 11.616 11.616
230 1HG GLN 26 2HG GLN 26 -9.974 13.722 13.722
231 2HG GLN 26 1HG GLN 26 -10.600 14.391 14.391
232 1HE2 GLN 26 2HE2 GLN 26 -7.340 15.795 15.795
233 2HE2 GLN 26 1HE2 GLN 26 -8.953 16.127 16.127
234 1HN NH2 27 1HT GLN 26 -12.983 9.977 9.977
235 2HN NH2 27 2HT GLN 26 -12.395 9.895 9.895
Start of MODEL 10
1 1H GLY 1 1H GLY 1 4.204 1.706 1.706
2 2H GLY 1 3H GLY 1 4.612 2.104 2.104
3 3H GLY 1 2H GLY 1 5.586 1.021 1.021
4 1HA GLY 1 2HA GLY 1 4.328 -0.699 -0.699
5 2HA GLY 1 1HA GLY 1 3.308 0.434 0.434
6 H ILE 2 H ILE 2 1.925 -1.615 -1.615
7 HA ILE 2 HA ILE 2 1.107 -0.837 -0.837
8 HB ILE 2 HB ILE 2 -0.655 -2.682 -2.682
9 1HG1 ILE 2 2HG1 ILE 2 1.259 -3.509 -3.509
10 2HG1 ILE 2 1HG1 ILE 2 -0.157 -2.525 -2.525
11 1HG2 ILE 2 2HG2 ILE 2 2.351 -3.181 -3.181
12 2HG2 ILE 2 1HG2 ILE 2 1.198 -4.493 -4.493
13 3HG2 ILE 2 3HG2 ILE 2 1.186 -3.211 -3.211
14 1HD1 ILE 2 1HD1 ILE 2 -0.509 -5.084 -5.084
15 2HD1 ILE 2 3HD1 ILE 2 -0.331 -5.138 -5.138
16 3HD1 ILE 2 2HD1 ILE 2 -1.651 -4.235 -4.235
17 H GLY 3 H GLY 3 0.635 1.336 1.336
18 1HA GLY 3 2HA GLY 3 -2.071 1.560 1.560
19 2HA GLY 3 1HA GLY 3 -0.904 2.864 2.864
20 H ALA 4 H ALA 4 -0.313 2.457 2.457
21 HA ALA 4 HA ALA 4 -2.782 3.640 3.640
22 1HB ALA 4 2HB ALA 4 0.144 3.649 3.649
23 2HB ALA 4 1HB ALA 4 -1.200 4.388 4.388
24 3HB ALA 4 3HB ALA 4 -0.703 5.020 5.020
25 H VAL 5 H VAL 5 -0.154 1.465 1.465
26 HA VAL 5 HA VAL 5 -0.480 0.066 0.066
27 HB VAL 5 HB VAL 5 -0.197 -1.465 -1.465
28 1HG1 VAL 5 3HG1 VAL 5 -0.039 -2.696 -2.696
29 2HG1 VAL 5 2HG1 VAL 5 1.373 -1.722 -1.722
30 3HG1 VAL 5 1HG1 VAL 5 1.404 -2.821 -2.821
31 1HG2 VAL 5 1HG2 VAL 5 1.784 0.487 0.487
32 2HG2 VAL 5 3HG2 VAL 5 1.245 0.478 0.478
33 3HG2 VAL 5 2HG2 VAL 5 2.311 -0.777 -0.777
34 H LEU 6 H LEU 6 -2.769 -0.179 -0.179
35 HA LEU 6 HA LEU 6 -4.197 -2.410 -2.410
36 1HB LEU 6 2HB LEU 6 -5.162 -0.921 -0.921
37 2HB LEU 6 1HB LEU 6 -5.561 -2.543 -2.543
38 HG LEU 6 HG LEU 6 -2.774 -1.653 -1.653
39 1HD1 LEU 6 3HD1 LEU 6 -5.048 -3.098 -3.098
40 2HD1 LEU 6 2HD1 LEU 6 -3.386 -3.277 -3.277
41 3HD1 LEU 6 1HD1 LEU 6 -4.132 -1.699 -1.699
42 1HD2 LEU 6 1HD2 LEU 6 -3.887 -4.373 -4.373
43 2HD2 LEU 6 3HD2 LEU 6 -2.542 -3.514 -3.514
44 3HD2 LEU 6 2HD2 LEU 6 -2.383 -4.187 -4.187
45 H LYS 7 H LYS 7 -4.984 0.829 0.829
46 HA LYS 7 HA LYS 7 -7.500 1.263 1.263
47 1HB LYS 7 2HB LYS 7 -5.342 3.397 3.397
48 2HB LYS 7 1HB LYS 7 -7.068 3.611 3.611
49 1HG LYS 7 2HG LYS 7 -6.577 2.002 2.002
50 2HG LYS 7 1HG LYS 7 -4.977 2.694 2.694
51 1HD LYS 7 2HD LYS 7 -6.320 4.998 4.998
52 2HD LYS 7 1HD LYS 7 -7.589 4.059 4.059
53 1HE LYS 7 2HE LYS 7 -5.794 3.329 3.329
54 2HE LYS 7 1HE LYS 7 -4.739 4.522 4.522
55 1HZ LYS 7 2HZ LYS 7 -7.192 5.790 5.790
56 2HZ LYS 7 1HZ LYS 7 -6.712 4.952 4.952
57 3HZ LYS 7 3HZ LYS 7 -5.671 6.071 6.071
58 H VAL 8 H VAL 8 -4.387 1.580 1.580
59 HA VAL 8 HA VAL 8 -4.813 2.656 2.656
60 HB VAL 8 HB VAL 8 -2.929 0.449 0.449
61 1HG1 VAL 8 2HG1 VAL 8 -2.606 2.061 2.061
62 2HG1 VAL 8 1HG1 VAL 8 -1.414 0.968 0.968
63 3HG1 VAL 8 3HG1 VAL 8 -2.941 0.342 0.342
64 1HG2 VAL 8 3HG2 VAL 8 -2.951 3.032 3.032
65 2HG2 VAL 8 2HG2 VAL 8 -1.477 2.095 2.095
66 3HG2 VAL 8 1HG2 VAL 8 -1.911 3.232 3.232
67 H LEU 9 H LEU 9 -5.147 -0.683 -0.683
68 HA LEU 9 HA LEU 9 -6.197 -1.505 -1.505
69 1HB LEU 9 2HB LEU 9 -6.012 -3.314 -3.314
70 2HB LEU 9 1HB LEU 9 -5.829 -3.728 -3.728
71 HG LEU 9 HG LEU 9 -3.830 -1.990 -1.990
72 1HD1 LEU 9 1HD1 LEU 9 -3.953 -4.214 -4.214
73 2HD1 LEU 9 3HD1 LEU 9 -3.671 -4.959 -4.959
74 3HD1 LEU 9 2HD1 LEU 9 -2.420 -3.971 -3.971
75 1HD2 LEU 9 3HD2 LEU 9 -3.775 -1.752 -1.752
76 2HD2 LEU 9 2HD2 LEU 9 -2.319 -2.531 -2.531
77 3HD2 LEU 9 1HD2 LEU 9 -3.580 -3.491 -3.491
78 H THR 10 H THR 10 -7.713 0.150 0.150
79 HA THR 10 HA THR 10 -10.201 -1.517 -1.517
80 HB THR 10 HB THR 10 -10.542 0.184 0.184
81 HG1 THR 10 HG1 THR 10 -7.878 -0.839 -0.839
82 1HG2 THR 10 2HG2 THR 10 -9.711 -2.752 -2.752
83 2HG2 THR 10 1HG2 THR 10 -9.997 -2.015 -2.015
84 3HG2 THR 10 3HG2 THR 10 -11.301 -2.127 -2.127
85 H THR 11 H THR 11 -9.004 1.845 1.845
86 HA THR 11 HA THR 11 -11.640 2.807 2.807
87 HB THR 11 HB THR 11 -9.075 4.471 4.471
88 HG1 THR 11 HG1 THR 11 -10.869 4.295 4.295
89 1HG2 THR 11 3HG2 THR 11 -12.108 5.043 5.043
90 2HG2 THR 11 2HG2 THR 11 -10.878 6.168 6.168
91 3HG2 THR 11 1HG2 THR 11 -10.986 5.764 5.764
92 H GLY 12 H GLY 12 -8.364 2.531 2.531
93 1HA GLY 12 2HA GLY 12 -9.465 2.429 2.429
94 2HA GLY 12 1HA GLY 12 -8.463 3.838 3.838
95 H LEU 13 H LEU 13 -6.479 3.594 3.594
96 HA LEU 13 HA LEU 13 -4.733 1.426 1.426
97 1HB LEU 13 2HB LEU 13 -5.987 1.472 1.472
98 2HB LEU 13 1HB LEU 13 -4.229 1.413 1.413
99 HG LEU 13 HG LEU 13 -5.615 -0.458 -0.458
100 1HD1 LEU 13 3HD1 LEU 13 -5.806 -0.569 -0.569
101 2HD1 LEU 13 2HD1 LEU 13 -5.447 -2.068 -2.068
102 3HD1 LEU 13 1HD1 LEU 13 -6.899 -1.173 -1.173
103 1HD2 LEU 13 1HD2 LEU 13 -3.052 -0.125 -0.125
104 2HD2 LEU 13 3HD2 LEU 13 -3.653 -1.762 -1.762
105 3HD2 LEU 13 2HD2 LEU 13 -3.196 -0.936 -0.936
106 HA PRO 14 HA DPR 14 -2.097 4.884 4.884
107 1HB PRO 14 2HB DPR 14 -2.443 6.159 6.159
108 2HB PRO 14 1HB DPR 14 -4.023 6.723 6.723
109 1HG PRO 14 2HG DPR 14 -3.333 4.164 4.164
110 2HG PRO 14 1HG DPR 14 -4.760 5.176 5.176
111 1HD PRO 14 2HD DPR 14 -4.847 2.875 2.875
112 2HD PRO 14 1HD DPR 14 -5.793 4.300 4.300
113 H ALA 15 H ALA 15 -1.840 5.580 5.580
114 HA ALA 15 HA ALA 15 -3.470 7.898 7.898
115 1HB ALA 15 3HB ALA 15 -0.901 8.001 8.001
116 2HB ALA 15 2HB ALA 15 -0.900 6.942 6.942
117 3HB ALA 15 1HB ALA 15 -1.636 8.526 8.526
118 H LEU 16 H LEU 16 -3.296 4.557 4.557
119 HA LEU 16 HA LEU 16 -3.448 4.499 4.499
120 1HB LEU 16 2HB LEU 16 -4.703 2.895 2.895
121 2HB LEU 16 1HB LEU 16 -5.238 2.585 2.585
122 HG LEU 16 HG LEU 16 -3.290 1.181 1.181
123 1HD1 LEU 16 2HD1 LEU 16 -2.951 2.773 2.773
124 2HD1 LEU 16 1HD1 LEU 16 -2.140 1.262 1.262
125 3HD1 LEU 16 3HD1 LEU 16 -3.883 1.299 1.299
126 1HD2 LEU 16 1HD2 LEU 16 -1.911 2.910 2.910
127 2HD2 LEU 16 3HD2 LEU 16 -1.013 2.088 2.088
128 3HD2 LEU 16 2HD2 LEU 16 -1.640 3.692 3.692
129 H ILE 17 H ILE 17 -6.078 5.260 5.260
130 HA ILE 17 HA ILE 17 -8.058 5.442 5.442
131 HB ILE 17 HB ILE 17 -8.921 7.231 7.231
132 1HG1 ILE 17 2HG1 ILE 17 -8.296 6.466 6.466
133 2HG1 ILE 17 1HG1 ILE 17 -7.069 5.408 5.408
134 1HG2 ILE 17 1HG2 ILE 17 -9.978 5.038 5.038
135 2HG2 ILE 17 3HG2 ILE 17 -8.891 4.220 4.220
136 3HG2 ILE 17 2HG2 ILE 17 -10.082 5.361 5.361
137 1HD1 ILE 17 2HD1 ILE 17 -6.997 8.340 8.340
138 2HD1 ILE 17 1HD1 ILE 17 -6.515 7.841 7.841
139 3HD1 ILE 17 3HD1 ILE 17 -5.659 7.210 7.210
140 H SER 18 H SER 18 -5.760 7.802 7.802
141 HA SER 18 HA SER 18 -6.691 10.037 10.037
142 1HB SER 18 2HB SER 18 -3.808 9.810 9.810
143 2HB SER 18 1HB SER 18 -4.895 11.194 11.194
144 HG SER 18 HG SER 18 -4.961 10.394 10.394
145 H TRP 19 H TRP 19 -5.205 7.300 7.300
146 HA TRP 19 HA TRP 19 -3.702 8.355 8.355
147 1HB TRP 19 2HB TRP 19 -3.057 6.427 6.427
148 2HB TRP 19 1HB TRP 19 -3.656 5.398 5.398
149 HD1 TRP 19 HD1 TRP 19 -0.557 6.492 6.492
150 HE1 TRP 19 HE1 TRP 19 1.330 6.494 6.494
151 HE3 TRP 19 HE3 TRP 19 -3.312 6.286 6.286
152 HZ2 TRP 19 HZ2 TRP 19 1.632 6.428 6.428
153 HZ3 TRP 19 HZ3 TRP 19 -2.109 6.255 6.255
154 HH2 TRP 19 HH2 TRP 19 0.365 6.326 6.326
155 H ILE 20 H ILE 20 -5.621 5.327 5.327
156 HA ILE 20 HA ILE 20 -6.548 5.697 5.697
157 HB ILE 20 HB ILE 20 -6.281 3.556 3.556
158 1HG1 ILE 20 2HG1 ILE 20 -5.098 3.802 3.802
159 2HG1 ILE 20 1HG1 ILE 20 -5.730 2.222 2.222
160 1HG2 ILE 20 3HG2 ILE 20 -8.833 3.594 3.594
161 2HG2 ILE 20 2HG2 ILE 20 -8.133 2.153 2.153
162 3HG2 ILE 20 1HG2 ILE 20 -8.647 3.503 3.503
163 1HD1 ILE 20 3HD1 ILE 20 -7.434 4.143 4.143
164 2HD1 ILE 20 2HD1 ILE 20 -6.171 3.186 3.186
165 3HD1 ILE 20 1HD1 ILE 20 -7.490 2.389 2.389
166 H LYS 21 H LYS 21 -7.960 6.168 6.168
167 HA LYS 21 HA LYS 21 -10.643 6.324 6.324
168 1HB LYS 21 2HB LYS 21 -9.846 5.858 5.858
169 2HB LYS 21 1HB LYS 21 -10.168 7.581 7.581
170 1HG LYS 21 2HG LYS 21 -12.380 6.693 6.693
171 2HG LYS 21 1HG LYS 21 -12.020 5.264 5.264
172 1HD LYS 21 2HD LYS 21 -13.507 6.432 6.432
173 2HD LYS 21 1HD LYS 21 -11.947 6.869 6.869
174 1HE LYS 21 2HE LYS 21 -12.135 8.934 8.934
175 2HE LYS 21 1HE LYS 21 -13.842 8.539 8.539
176 1HZ LYS 21 2HZ LYS 21 -12.966 8.540 8.540
177 2HZ LYS 21 1HZ LYS 21 -12.428 9.974 9.974
178 3HZ LYS 21 3HZ LYS 21 -14.082 9.586 9.586
179 H ARG 22 H ARG 22 -7.953 8.245 8.245
180 HA ARG 22 HA ARG 22 -9.427 10.827 10.827
181 1HB ARG 22 2HB ARG 22 -7.179 10.682 10.682
182 2HB ARG 22 1HB ARG 22 -6.393 10.144 10.144
183 1HG ARG 22 2HG ARG 22 -6.880 12.296 12.296
184 2HG ARG 22 1HG ARG 22 -7.901 12.849 12.849
185 1HD ARG 22 2HD ARG 22 -4.923 12.245 12.245
186 2HD ARG 22 1HD ARG 22 -5.471 13.837 13.837
187 HE ARG 22 HE ARG 22 -6.377 12.526 12.526
188 1HH1 ARG 22 1HH2 ARG 22 -7.901 14.728 14.728
189 2HH1 ARG 22 2HH2 ARG 22 -7.056 16.068 16.068
190 1HH2 ARG 22 2HH1 ARG 22 -3.989 14.267 14.267
191 2HH2 ARG 22 1HH1 ARG 22 -4.602 15.787 15.787
192 H LYS 23 H LYS 23 -7.021 8.949 8.949
193 HA LYS 23 HA LYS 23 -7.203 9.902 9.902
194 1HB LYS 23 2HB LYS 23 -5.691 8.063 8.063
195 2HB LYS 23 1HB LYS 23 -7.050 6.958 6.958
196 1HG LYS 23 2HG LYS 23 -7.036 7.957 7.957
197 2HG LYS 23 1HG LYS 23 -5.349 8.114 8.114
198 1HD LYS 23 2HD LYS 23 -5.136 5.912 5.912
199 2HD LYS 23 1HD LYS 23 -5.825 5.572 5.572
200 1HE LYS 23 2HE LYS 23 -7.341 4.365 4.365
201 2HE LYS 23 1HE LYS 23 -8.160 5.908 5.908
202 1HZ LYS 23 3HZ LYS 23 -6.264 5.890 5.890
203 2HZ LYS 23 2HZ LYS 23 -7.146 4.450 4.450
204 3HZ LYS 23 1HZ LYS 23 -7.952 5.942 5.942
205 H ARG 24 H ARG 24 -9.156 7.049 7.049
206 HA ARG 24 HA ARG 24 -10.709 6.866 6.866
207 1HB ARG 24 2HB ARG 24 -10.812 5.722 5.722
208 2HB ARG 24 1HB ARG 24 -12.412 6.355 6.355
209 1HG ARG 24 2HG ARG 24 -12.085 5.147 5.147
210 2HG ARG 24 1HG ARG 24 -10.889 4.216 4.216
211 1HD ARG 24 2HD ARG 24 -12.885 2.937 2.937
212 2HD ARG 24 1HD ARG 24 -12.795 3.820 3.820
213 HE ARG 24 HE ARG 24 -14.358 5.530 5.530
214 1HH1 ARG 24 2HH1 ARG 24 -14.199 4.022 4.022
215 2HH1 ARG 24 1HH1 ARG 24 -15.688 3.153 3.153
216 1HH2 ARG 24 1HH2 ARG 24 -16.189 3.782 3.782
217 2HH2 ARG 24 2HH2 ARG 24 -16.943 3.011 3.011
218 H GLN 25 H GLN 25 -11.028 9.496 9.496
219 HA GLN 25 HA GLN 25 -13.738 10.112 10.112
220 1HB GLN 25 2HB GLN 25 -12.194 11.273 11.273
221 2HB GLN 25 1HB GLN 25 -13.797 11.798 11.798
222 1HG GLN 25 2HG GLN 25 -14.690 9.462 9.462
223 2HG GLN 25 1HG GLN 25 -13.092 8.911 8.911
224 1HE2 GLN 25 2HE2 GLN 25 -13.230 10.830 10.830
225 2HE2 GLN 25 1HE2 GLN 25 -12.165 10.480 10.480
226 H GLN 26 H GLN 26 -10.926 10.446 10.446
227 HA GLN 26 HA GLN 26 -11.191 13.262 13.262
228 1HB GLN 26 2HB GLN 26 -9.116 12.396 12.396
229 2HB GLN 26 1HB GLN 26 -8.627 11.637 11.637
230 1HG GLN 26 2HG GLN 26 -8.522 13.821 13.821
231 2HG GLN 26 1HG GLN 26 -9.242 14.623 14.623
232 1HE2 GLN 26 2HE2 GLN 26 -5.311 13.679 13.679
233 2HE2 GLN 26 1HE2 GLN 26 -6.278 13.155 13.155
234 1HN NH2 27 1HT GLN 26 -11.432 13.452 13.452
235 2HN NH2 27 2HT GLN 26 -11.279 12.131 12.131
Start of MODEL 11
1 1H GLY 1 1H GLY 1 6.273 1.992 1.992
2 2H GLY 1 3H GLY 1 6.743 2.115 2.115
3 3H GLY 1 2H GLY 1 7.495 0.980 0.980
4 1HA GLY 1 2HA GLY 1 5.931 -0.546 -0.546
5 2HA GLY 1 1HA GLY 1 5.146 0.643 0.643
6 H ILE 2 H ILE 2 3.416 -0.963 -0.963
7 HA ILE 2 HA ILE 2 2.530 0.759 0.759
8 HB ILE 2 HB ILE 2 1.293 -1.473 -1.473
9 1HG1 ILE 2 2HG1 ILE 2 2.420 -3.531 -3.531
10 2HG1 ILE 2 1HG1 ILE 2 3.555 -2.663 -2.663
11 1HG2 ILE 2 2HG2 ILE 2 4.290 -0.995 -0.995
12 2HG2 ILE 2 1HG2 ILE 2 3.470 -2.263 -2.263
13 3HG2 ILE 2 3HG2 ILE 2 3.048 -0.590 -0.590
14 1HD1 ILE 2 2HD1 ILE 2 0.594 -2.355 -2.355
15 2HD1 ILE 2 1HD1 ILE 2 1.399 -3.839 -3.839
16 3HD1 ILE 2 3HD1 ILE 2 1.945 -2.329 -2.329
17 H GLY 3 H GLY 3 1.818 -0.028 -0.028
18 1HA GLY 3 2HA GLY 3 -0.495 -0.534 -0.534
19 2HA GLY 3 1HA GLY 3 0.080 1.075 1.075
20 H ALA 4 H ALA 4 -0.470 2.610 2.610
21 HA ALA 4 HA ALA 4 -3.436 2.474 2.474
22 1HB ALA 4 1HB ALA 4 -1.468 4.748 4.748
23 2HB ALA 4 3HB ALA 4 -3.214 4.857 4.857
24 3HB ALA 4 2HB ALA 4 -2.459 4.608 4.608
25 H VAL 5 H VAL 5 -0.570 2.839 2.839
26 HA VAL 5 HA VAL 5 -1.378 3.175 3.175
27 HB VAL 5 HB VAL 5 0.546 0.889 0.889
28 1HG1 VAL 5 3HG1 VAL 5 0.149 1.344 1.344
29 2HG1 VAL 5 2HG1 VAL 5 0.629 3.015 3.015
30 3HG1 VAL 5 1HG1 VAL 5 1.798 1.726 1.726
31 1HG2 VAL 5 3HG2 VAL 5 0.980 3.892 3.892
32 2HG2 VAL 5 2HG2 VAL 5 1.318 2.620 2.620
33 3HG2 VAL 5 1HG2 VAL 5 2.331 2.803 2.803
34 H LEU 6 H LEU 6 -1.313 0.012 0.012
35 HA LEU 6 HA LEU 6 -2.497 -1.545 -1.545
36 1HB LEU 6 2HB LEU 6 -3.075 -1.841 -1.841
37 2HB LEU 6 1HB LEU 6 -3.283 -3.073 -3.073
38 HG LEU 6 HG LEU 6 -0.671 -1.870 -1.870
39 1HD1 LEU 6 3HD1 LEU 6 -1.902 -4.660 -4.660
40 2HD1 LEU 6 2HD1 LEU 6 -0.230 -4.359 -4.359
41 3HD1 LEU 6 1HD1 LEU 6 -1.509 -3.659 -3.659
42 1HD2 LEU 6 3HD2 LEU 6 -1.163 -3.684 -3.684
43 2HD2 LEU 6 2HD2 LEU 6 -0.347 -2.127 -2.127
44 3HD2 LEU 6 1HD2 LEU 6 0.405 -3.515 -3.515
45 H LYS 7 H LYS 7 -4.192 0.457 0.457
46 HA LYS 7 HA LYS 7 -6.794 -0.515 -0.515
47 1HB LYS 7 2HB LYS 7 -5.750 1.816 1.816
48 2HB LYS 7 1HB LYS 7 -7.391 1.950 1.950
49 1HG LYS 7 2HG LYS 7 -6.343 -0.467 -0.467
50 2HG LYS 7 1HG LYS 7 -7.143 0.895 0.895
51 1HD LYS 7 2HD LYS 7 -9.137 -0.104 -0.104
52 2HD LYS 7 1HD LYS 7 -8.917 0.213 0.213
53 1HE LYS 7 2HE LYS 7 -7.397 -2.131 -2.131
54 2HE LYS 7 1HE LYS 7 -8.691 -2.355 -2.355
55 1HZ LYS 7 1HZ LYS 7 -9.821 -1.413 -1.413
56 2HZ LYS 7 3HZ LYS 7 -8.746 -2.587 -2.587
57 3HZ LYS 7 2HZ LYS 7 -10.001 -2.971 -2.971
58 H VAL 8 H VAL 8 -4.808 2.122 2.122
59 HA VAL 8 HA VAL 8 -6.871 3.366 3.366
60 HB VAL 8 HB VAL 8 -3.980 3.270 3.270
61 1HG1 VAL 8 3HG1 VAL 8 -5.884 4.736 4.736
62 2HG1 VAL 8 2HG1 VAL 8 -5.889 5.609 5.609
63 3HG1 VAL 8 1HG1 VAL 8 -4.459 5.636 5.636
64 1HG2 VAL 8 2HG2 VAL 8 -4.923 4.584 4.584
65 2HG2 VAL 8 1HG2 VAL 8 -3.570 3.488 3.488
66 3HG2 VAL 8 3HG2 VAL 8 -3.477 5.103 5.103
67 H LEU 9 H LEU 9 -4.856 0.582 0.582
68 HA LEU 9 HA LEU 9 -5.568 0.129 0.129
69 1HB LEU 9 2HB LEU 9 -4.786 -2.176 -2.176
70 2HB LEU 9 1HB LEU 9 -4.250 -1.794 -1.794
71 HG LEU 9 HG LEU 9 -3.347 -0.351 -0.351
72 1HD1 LEU 9 3HD1 LEU 9 -2.567 -2.701 -2.701
73 2HD1 LEU 9 2HD1 LEU 9 -1.789 -2.262 -2.262
74 3HD1 LEU 9 1HD1 LEU 9 -1.269 -1.517 -1.517
75 1HD2 LEU 9 2HD2 LEU 9 -2.400 -0.053 -0.053
76 2HD2 LEU 9 1HD2 LEU 9 -3.322 1.120 1.120
77 3HD2 LEU 9 3HD2 LEU 9 -1.682 0.732 0.732
78 H THR 10 H THR 10 -7.391 0.039 0.039
79 HA THR 10 HA THR 10 -9.047 -2.268 -2.268
80 HB THR 10 HB THR 10 -9.747 -0.571 -0.571
81 HG1 THR 10 HG1 THR 10 -7.438 -1.741 -1.741
82 1HG2 THR 10 1HG2 THR 10 -10.938 -2.802 -2.802
83 2HG2 THR 10 3HG2 THR 10 -9.778 -3.611 -3.611
84 3HG2 THR 10 2HG2 THR 10 -10.978 -2.513 -2.513
85 H THR 11 H THR 11 -8.711 1.068 1.068
86 HA THR 11 HA THR 11 -11.616 1.406 1.406
87 HB THR 11 HB THR 11 -9.541 3.672 3.672
88 HG1 THR 11 HG1 THR 11 -11.138 3.083 3.083
89 1HG2 THR 11 3HG2 THR 11 -12.556 3.480 3.480
90 2HG2 THR 11 2HG2 THR 11 -11.568 4.934 4.934
91 3HG2 THR 11 1HG2 THR 11 -11.893 4.212 4.212
92 H GLY 12 H GLY 12 -8.267 1.962 1.962
93 1HA GLY 12 2HA GLY 12 -9.449 1.494 1.494
94 2HA GLY 12 1HA GLY 12 -8.514 2.979 2.979
95 H LEU 13 H LEU 13 -6.753 2.614 2.614
96 HA LEU 13 HA LEU 13 -4.859 0.561 0.561
97 1HB LEU 13 2HB LEU 13 -6.045 0.647 0.647
98 2HB LEU 13 1HB LEU 13 -4.337 0.308 0.308
99 HG LEU 13 HG LEU 13 -5.715 -1.365 -1.365
100 1HD1 LEU 13 3HD1 LEU 13 -7.021 -1.155 -1.155
101 2HD1 LEU 13 2HD1 LEU 13 -6.890 -2.728 -2.728
102 3HD1 LEU 13 1HD1 LEU 13 -7.730 -1.436 -1.436
103 1HD2 LEU 13 1HD2 LEU 13 -3.478 -1.772 -1.772
104 2HD2 LEU 13 3HD2 LEU 13 -4.569 -3.141 -3.141
105 3HD2 LEU 13 2HD2 LEU 13 -4.366 -2.158 -2.158
106 HA PRO 14 HA DPR 14 -1.875 3.587 3.587
107 1HB PRO 14 2HB DPR 14 -1.961 4.953 4.953
108 2HB PRO 14 1HB DPR 14 -3.567 5.575 5.575
109 1HG PRO 14 2HG DPR 14 -2.815 2.886 2.886
110 2HG PRO 14 1HG DPR 14 -4.082 3.984 3.984
111 1HD PRO 14 2HD DPR 14 -4.731 1.893 1.893
112 2HD PRO 14 1HD DPR 14 -5.506 3.455 3.455
113 H ALA 15 H ALA 15 -2.031 3.947 3.947
114 HA ALA 15 HA ALA 15 -2.761 6.775 6.775
115 1HB ALA 15 2HB ALA 15 -0.965 4.851 4.851
116 2HB ALA 15 1HB ALA 15 -1.270 6.525 6.525
117 3HB ALA 15 3HB ALA 15 -0.440 6.159 6.159
118 H LEU 16 H LEU 16 -3.783 3.573 3.573
119 HA LEU 16 HA LEU 16 -4.750 3.744 3.744
120 1HB LEU 16 2HB LEU 16 -5.672 2.391 2.391
121 2HB LEU 16 1HB LEU 16 -6.763 2.347 2.347
122 HG LEU 16 HG LEU 16 -5.056 0.413 0.413
123 1HD1 LEU 16 3HD1 LEU 16 -6.405 0.837 0.837
124 2HD1 LEU 16 2HD1 LEU 16 -5.165 1.933 1.933
125 3HD1 LEU 16 1HD1 LEU 16 -4.817 0.226 0.226
126 1HD2 LEU 16 1HD2 LEU 16 -3.028 1.782 1.782
127 2HD2 LEU 16 3HD2 LEU 16 -2.829 0.711 0.711
128 3HD2 LEU 16 2HD2 LEU 16 -3.096 2.415 2.415
129 H ILE 17 H ILE 17 -6.440 4.985 4.985
130 HA ILE 17 HA ILE 17 -8.757 5.808 5.808
131 HB ILE 17 HB ILE 17 -8.527 7.652 7.652
132 1HG1 ILE 17 2HG1 ILE 17 -7.514 6.603 6.603
133 2HG1 ILE 17 1HG1 ILE 17 -6.953 5.246 5.246
134 1HG2 ILE 17 2HG2 ILE 17 -9.385 4.757 4.757
135 2HG2 ILE 17 1HG2 ILE 17 -9.712 5.926 5.926
136 3HG2 ILE 17 3HG2 ILE 17 -10.395 6.168 6.168
137 1HD1 ILE 17 2HD1 ILE 17 -6.148 8.002 8.002
138 2HD1 ILE 17 1HD1 ILE 17 -5.440 7.398 7.398
139 3HD1 ILE 17 3HD1 ILE 17 -5.237 6.496 6.496
140 H SER 18 H SER 18 -5.625 7.118 7.118
141 HA SER 18 HA SER 18 -6.416 9.639 9.639
142 1HB SER 18 2HB SER 18 -3.830 8.735 8.735
143 2HB SER 18 1HB SER 18 -4.031 10.300 10.300
144 HG SER 18 HG SER 18 -6.196 9.904 9.904
145 H TRP 19 H TRP 19 -5.776 6.668 6.668
146 HA TRP 19 HA TRP 19 -4.013 7.424 7.424
147 1HB TRP 19 2HB TRP 19 -3.841 5.246 5.246
148 2HB TRP 19 1HB TRP 19 -4.888 4.549 4.549
149 HD1 TRP 19 HD1 TRP 19 -1.537 4.267 4.267
150 HE1 TRP 19 HE1 TRP 19 0.065 3.978 3.978
151 HE3 TRP 19 HE3 TRP 19 -4.475 5.994 5.994
152 HZ2 TRP 19 HZ2 TRP 19 0.139 4.388 4.388
153 HZ3 TRP 19 HZ3 TRP 19 -3.494 6.020 6.020
154 HH2 TRP 19 HH2 TRP 19 -1.198 5.213 5.213
155 H ILE 20 H ILE 20 -6.891 5.233 5.233
156 HA ILE 20 HA ILE 20 -7.549 6.040 6.040
157 HB ILE 20 HB ILE 20 -8.062 3.745 3.745
158 1HG1 ILE 20 2HG1 ILE 20 -8.496 2.637 2.637
159 2HG1 ILE 20 1HG1 ILE 20 -8.206 4.196 4.196
160 1HG2 ILE 20 2HG2 ILE 20 -10.380 4.885 4.885
161 2HG2 ILE 20 1HG2 ILE 20 -10.325 3.231 3.231
162 3HG2 ILE 20 3HG2 ILE 20 -10.288 4.586 4.586
163 1HD1 ILE 20 1HD1 ILE 20 -5.908 4.213 4.213
164 2HD1 ILE 20 3HD1 ILE 20 -6.264 2.637 2.637
165 3HD1 ILE 20 2HD1 ILE 20 -6.119 2.832 2.832
166 H LYS 21 H LYS 21 -8.859 6.545 6.545
167 HA LYS 21 HA LYS 21 -11.285 7.724 7.724
168 1HB LYS 21 2HB LYS 21 -10.126 8.582 8.582
169 2HB LYS 21 1HB LYS 21 -11.793 8.350 8.350
170 1HG LYS 21 2HG LYS 21 -10.936 5.776 5.776
171 2HG LYS 21 1HG LYS 21 -9.724 6.284 6.284
172 1HD LYS 21 2HD LYS 21 -11.350 5.519 5.519
173 2HD LYS 21 1HD LYS 21 -11.831 7.206 7.206
174 1HE LYS 21 2HE LYS 21 -13.298 6.428 6.428
175 2HE LYS 21 1HE LYS 21 -13.007 4.794 4.794
176 1HZ LYS 21 1HZ LYS 21 -13.830 6.425 6.425
177 2HZ LYS 21 3HZ LYS 21 -14.923 6.603 6.603
178 3HZ LYS 21 2HZ LYS 21 -14.607 5.068 5.068
179 H ARG 22 H ARG 22 -8.079 8.619 8.619
180 HA ARG 22 HA ARG 22 -8.540 11.518 11.518
181 1HB ARG 22 2HB ARG 22 -6.700 10.350 10.350
182 2HB ARG 22 1HB ARG 22 -5.863 10.015 10.015
183 1HG ARG 22 2HG ARG 22 -5.251 12.212 12.212
184 2HG ARG 22 1HG ARG 22 -6.762 12.865 12.865
185 1HD ARG 22 2HD ARG 22 -5.897 11.998 11.998
186 2HD ARG 22 1HD ARG 22 -4.317 12.004 12.004
187 HE ARG 22 HE ARG 22 -6.104 14.422 14.422
188 1HH1 ARG 22 1HH2 ARG 22 -3.802 14.771 14.771
189 2HH1 ARG 22 2HH2 ARG 22 -2.572 15.399 15.399
190 1HH2 ARG 22 2HH1 ARG 22 -4.351 14.220 14.220
191 2HH2 ARG 22 1HH1 ARG 22 -2.910 15.053 15.053
192 H LYS 23 H LYS 23 -6.527 9.151 9.151
193 HA LYS 23 HA LYS 23 -6.272 10.439 10.439
194 1HB LYS 23 2HB LYS 23 -5.076 8.332 8.332
195 2HB LYS 23 1HB LYS 23 -6.569 7.440 7.440
196 1HG LYS 23 2HG LYS 23 -5.856 8.986 8.986
197 2HG LYS 23 1HG LYS 23 -4.641 7.806 7.806
198 1HD LYS 23 2HD LYS 23 -7.624 7.145 7.145
199 2HD LYS 23 1HD LYS 23 -6.569 7.059 7.059
200 1HE LYS 23 2HE LYS 23 -5.082 5.415 5.415
201 2HE LYS 23 1HE LYS 23 -6.266 5.425 5.425
202 1HZ LYS 23 2HZ LYS 23 -7.637 4.979 4.979
203 2HZ LYS 23 1HZ LYS 23 -6.317 3.935 3.935
204 3HZ LYS 23 3HZ LYS 23 -7.431 3.889 3.889
205 H ARG 24 H ARG 24 -8.927 8.397 8.397
206 HA ARG 24 HA ARG 24 -10.405 9.065 9.065
207 1HB ARG 24 2HB ARG 24 -10.200 6.691 6.691
208 2HB ARG 24 1HB ARG 24 -11.836 7.252 7.252
209 1HG ARG 24 2HG ARG 24 -11.391 7.469 7.469
210 2HG ARG 24 1HG ARG 24 -10.397 6.098 6.098
211 1HD ARG 24 2HD ARG 24 -12.644 5.302 5.302
212 2HD ARG 24 1HD ARG 24 -12.386 5.084 5.084
213 HE ARG 24 HE ARG 24 -13.905 7.418 7.418
214 1HH1 ARG 24 1HH2 ARG 24 -13.888 8.356 8.356
215 2HH1 ARG 24 2HH2 ARG 24 -14.916 7.442 7.442
216 1HH2 ARG 24 2HH1 ARG 24 -14.910 4.736 4.736
217 2HH2 ARG 24 1HH1 ARG 24 -15.549 5.209 5.209
218 H GLN 25 H GLN 25 -9.971 11.134 11.134
219 HA GLN 25 HA GLN 25 -12.623 11.507 11.507
220 1HB GLN 25 2HB GLN 25 -11.602 13.118 13.118
221 2HB GLN 25 1HB GLN 25 -10.282 12.016 12.016
222 1HG GLN 25 2HG GLN 25 -9.418 13.532 13.532
223 2HG GLN 25 1HG GLN 25 -10.675 14.675 14.675
224 1HE2 GLN 25 2HE2 GLN 25 -7.998 16.000 16.000
225 2HE2 GLN 25 1HE2 GLN 25 -8.711 16.100 16.100
226 H GLN 26 H GLN 26 -10.720 12.646 12.646
227 HA GLN 26 HA GLN 26 -12.680 14.831 14.831
228 1HB GLN 26 2HB GLN 26 -10.011 15.100 15.100
229 2HB GLN 26 1HB GLN 26 -10.060 14.511 14.511
230 1HG GLN 26 2HG GLN 26 -12.090 16.578 16.578
231 2HG GLN 26 1HG GLN 26 -10.622 17.193 17.193
232 1HE2 GLN 26 2HE2 GLN 26 -10.524 16.151 16.151
233 2HE2 GLN 26 1HE2 GLN 26 -11.662 15.405 15.405
234 1HN NH2 27 1HT GLN 26 -12.488 11.720 11.720
235 2HN NH2 27 2HT GLN 26 -13.037 11.841 11.841
Start of MODEL 12
1 1H GLY 1 2H GLY 1 4.729 -1.341 -1.341
2 2H GLY 1 1H GLY 1 5.262 -0.780 -0.780
3 3H GLY 1 3H GLY 1 5.972 -2.166 -2.166
4 1HA GLY 1 2HA GLY 1 4.414 -3.474 -3.474
5 2HA GLY 1 1HA GLY 1 3.693 -2.023 -2.023
6 H ILE 2 H ILE 2 1.790 -3.739 -3.739
7 HA ILE 2 HA ILE 2 0.927 -2.845 -2.845
8 HB ILE 2 HB ILE 2 -0.688 -4.954 -4.954
9 1HG1 ILE 2 2HG1 ILE 2 1.752 -5.926 -5.926
10 2HG1 ILE 2 1HG1 ILE 2 0.336 -5.320 -5.320
11 1HG2 ILE 2 3HG2 ILE 2 2.267 -5.100 -5.100
12 2HG2 ILE 2 2HG2 ILE 2 1.091 -6.341 -6.341
13 3HG2 ILE 2 1HG2 ILE 2 0.929 -4.741 -4.741
14 1HD1 ILE 2 3HD1 ILE 2 -0.110 -7.421 -7.421
15 2HD1 ILE 2 2HD1 ILE 2 0.538 -7.908 -7.908
16 3HD1 ILE 2 1HD1 ILE 2 -1.012 -7.089 -7.089
17 H GLY 3 H GLY 3 -0.244 -3.445 -3.445
18 1HA GLY 3 2HA GLY 3 -2.750 -3.090 -3.090
19 2HA GLY 3 1HA GLY 3 -1.697 -1.967 -1.967
20 H ALA 4 H ALA 4 -1.121 -0.043 -0.043
21 HA ALA 4 HA ALA 4 -3.750 1.158 1.158
22 1HB ALA 4 1HB ALA 4 -0.953 2.368 2.368
23 2HB ALA 4 3HB ALA 4 -2.396 3.265 3.265
24 3HB ALA 4 2HB ALA 4 -2.261 2.555 2.555
25 H VAL 5 H VAL 5 -0.960 -0.071 -0.071
26 HA VAL 5 HA VAL 5 -1.238 1.293 1.293
27 HB VAL 5 HB VAL 5 -0.371 -1.630 -1.630
28 1HG1 VAL 5 3HG1 VAL 5 -0.786 -0.602 -0.602
29 2HG1 VAL 5 2HG1 VAL 5 0.698 0.280 0.280
30 3HG1 VAL 5 1HG1 VAL 5 0.702 -1.473 -1.473
31 1HG2 VAL 5 2HG2 VAL 5 1.218 0.960 0.960
32 2HG2 VAL 5 1HG2 VAL 5 1.021 -0.315 -0.315
33 3HG2 VAL 5 3HG2 VAL 5 1.991 -0.598 -0.598
34 H LEU 6 H LEU 6 -2.534 -1.694 -1.694
35 HA LEU 6 HA LEU 6 -4.093 -2.736 -2.736
36 1HB LEU 6 2HB LEU 6 -4.967 -2.311 -2.311
37 2HB LEU 6 1HB LEU 6 -5.743 -3.424 -3.424
38 HG LEU 6 HG LEU 6 -2.737 -3.634 -3.634
39 1HD1 LEU 6 3HD1 LEU 6 -3.981 -3.675 -3.675
40 2HD1 LEU 6 2HD1 LEU 6 -4.900 -5.043 -5.043
41 3HD1 LEU 6 1HD1 LEU 6 -3.165 -5.175 -5.175
42 1HD2 LEU 6 1HD2 LEU 6 -3.883 -4.918 -4.918
43 2HD2 LEU 6 3HD2 LEU 6 -3.055 -5.918 -5.918
44 3HD2 LEU 6 2HD2 LEU 6 -4.800 -5.768 -5.768
45 H LYS 7 H LYS 7 -5.297 -0.331 -0.331
46 HA LYS 7 HA LYS 7 -7.769 0.309 0.309
47 1HB LYS 7 2HB LYS 7 -5.683 1.836 1.836
48 2HB LYS 7 1HB LYS 7 -6.841 2.839 2.839
49 1HG LYS 7 2HG LYS 7 -8.722 1.884 1.884
50 2HG LYS 7 1HG LYS 7 -7.796 0.509 0.509
51 1HD LYS 7 2HD LYS 7 -8.114 1.930 1.930
52 2HD LYS 7 1HD LYS 7 -6.417 2.026 2.026
53 1HE LYS 7 2HE LYS 7 -6.738 4.209 4.209
54 2HE LYS 7 1HE LYS 7 -8.486 4.076 4.076
55 1HZ LYS 7 1HZ LYS 7 -7.423 3.794 3.794
56 2HZ LYS 7 3HZ LYS 7 -6.716 5.153 5.153
57 3HZ LYS 7 2HZ LYS 7 -8.401 5.034 5.034
58 H VAL 8 H VAL 8 -4.733 1.770 1.770
59 HA VAL 8 HA VAL 8 -5.505 3.506 3.506
60 HB VAL 8 HB VAL 8 -3.065 1.650 1.650
61 1HG1 VAL 8 2HG1 VAL 8 -3.443 3.133 3.133
62 2HG1 VAL 8 1HG1 VAL 8 -3.469 4.520 4.520
63 3HG1 VAL 8 3HG1 VAL 8 -1.992 3.582 3.582
64 1HG2 VAL 8 3HG2 VAL 8 -3.505 4.097 4.097
65 2HG2 VAL 8 2HG2 VAL 8 -3.007 2.502 2.502
66 3HG2 VAL 8 1HG2 VAL 8 -1.906 3.497 3.497
67 H LEU 9 H LEU 9 -4.602 0.191 0.191
68 HA LEU 9 HA LEU 9 -5.389 -0.184 -0.184
69 1HB LEU 9 2HB LEU 9 -5.437 -2.517 -2.517
70 2HB LEU 9 1HB LEU 9 -4.829 -2.452 -2.452
71 HG LEU 9 HG LEU 9 -3.424 -1.121 -1.121
72 1HD1 LEU 9 1HD1 LEU 9 -3.654 -3.662 -3.662
73 2HD1 LEU 9 3HD1 LEU 9 -2.653 -3.734 -3.734
74 3HD1 LEU 9 2HD1 LEU 9 -2.027 -3.016 -3.016
75 1HD2 LEU 9 3HD2 LEU 9 -2.696 -1.590 -1.590
76 2HD2 LEU 9 2HD2 LEU 9 -2.602 -0.102 -0.102
77 3HD2 LEU 9 1HD2 LEU 9 -1.452 -1.389 -1.389
78 H THR 10 H THR 10 -7.270 -0.137 -0.137
79 HA THR 10 HA THR 10 -9.477 -1.625 -1.625
80 HB THR 10 HB THR 10 -10.433 -0.629 -0.629
81 HG1 THR 10 HG1 THR 10 -7.701 -1.472 -1.472
82 1HG2 THR 10 1HG2 THR 10 -9.228 -3.344 -3.344
83 2HG2 THR 10 3HG2 THR 10 -10.135 -3.041 -3.041
84 3HG2 THR 10 2HG2 THR 10 -10.928 -2.908 -2.908
85 H THR 11 H THR 11 -8.234 1.377 1.377
86 HA THR 11 HA THR 11 -10.919 2.697 2.697
87 HB THR 11 HB THR 11 -8.306 4.303 4.303
88 HG1 THR 11 HG1 THR 11 -8.684 2.660 2.660
89 1HG2 THR 11 3HG2 THR 11 -11.052 4.779 4.779
90 2HG2 THR 11 2HG2 THR 11 -9.749 5.946 5.946
91 3HG2 THR 11 1HG2 THR 11 -10.570 5.436 5.436
92 H GLY 12 H GLY 12 -7.588 2.844 2.844
93 1HA GLY 12 2HA GLY 12 -8.778 2.412 2.412
94 2HA GLY 12 1HA GLY 12 -7.928 3.945 3.945
95 H LEU 13 H LEU 13 -6.060 3.762 3.762
96 HA LEU 13 HA LEU 13 -4.068 1.817 1.817
97 1HB LEU 13 2HB LEU 13 -5.407 1.620 1.620
98 2HB LEU 13 1HB LEU 13 -3.658 1.645 1.645
99 HG LEU 13 HG LEU 13 -5.196 -0.269 -0.269
100 1HD1 LEU 13 3HD1 LEU 13 -5.579 -0.543 -0.543
101 2HD1 LEU 13 2HD1 LEU 13 -3.851 -0.818 -0.818
102 3HD1 LEU 13 1HD1 LEU 13 -4.827 -1.921 -1.921
103 1HD2 LEU 13 1HD2 LEU 13 -2.270 0.250 0.250
104 2HD2 LEU 13 3HD2 LEU 13 -3.035 -0.245 -0.245
105 3HD2 LEU 13 2HD2 LEU 13 -2.780 -1.409 -1.409
106 HA PRO 14 HA DPR 14 -1.544 5.377 5.377
107 1HB PRO 14 2HB DPR 14 -1.937 6.887 6.887
108 2HB PRO 14 1HB DPR 14 -3.609 7.185 7.185
109 1HG PRO 14 2HG DPR 14 -2.479 4.815 4.815
110 2HG PRO 14 1HG DPR 14 -3.945 5.725 5.725
111 1HD PRO 14 2HD DPR 14 -4.150 3.380 3.380
112 2HD PRO 14 1HD DPR 14 -5.150 4.753 4.753
113 H ALA 15 H ALA 15 -1.492 5.683 5.683
114 HA ALA 15 HA ALA 15 -2.988 8.088 8.088
115 1HB ALA 15 3HB ALA 15 -0.432 7.957 7.957
116 2HB ALA 15 2HB ALA 15 -0.673 6.809 6.809
117 3HB ALA 15 1HB ALA 15 -1.286 8.445 8.445
118 H LEU 16 H LEU 16 -3.100 4.658 4.658
119 HA LEU 16 HA LEU 16 -3.670 4.444 4.444
120 1HB LEU 16 2HB LEU 16 -4.593 3.072 3.072
121 2HB LEU 16 1HB LEU 16 -5.535 2.742 2.742
122 HG LEU 16 HG LEU 16 -3.517 1.220 1.220
123 1HD1 LEU 16 1HD1 LEU 16 -4.016 2.531 2.531
124 2HD1 LEU 16 3HD1 LEU 16 -2.946 1.155 1.155
125 3HD1 LEU 16 2HD1 LEU 16 -4.635 0.996 0.996
126 1HD2 LEU 16 3HD2 LEU 16 -1.857 3.085 3.085
127 2HD2 LEU 16 2HD2 LEU 16 -1.320 1.839 1.839
128 3HD2 LEU 16 1HD2 LEU 16 -1.840 3.381 3.381
129 H ILE 17 H ILE 17 -5.881 5.443 5.443
130 HA ILE 17 HA ILE 17 -8.214 5.706 5.706
131 HB ILE 17 HB ILE 17 -8.578 7.585 7.585
132 1HG1 ILE 17 2HG1 ILE 17 -7.325 7.055 7.055
133 2HG1 ILE 17 1HG1 ILE 17 -6.201 6.063 6.063
134 1HG2 ILE 17 3HG2 ILE 17 -8.382 4.592 4.592
135 2HG2 ILE 17 2HG2 ILE 17 -9.066 5.683 5.683
136 3HG2 ILE 17 1HG2 ILE 17 -9.820 5.547 5.547
137 1HD1 ILE 17 1HD1 ILE 17 -6.655 8.870 8.870
138 2HD1 ILE 17 3HD1 ILE 17 -5.774 8.643 8.643
139 3HD1 ILE 17 2HD1 ILE 17 -5.178 7.909 7.909
140 H SER 18 H SER 18 -5.459 7.797 7.797
141 HA SER 18 HA SER 18 -6.829 9.833 9.833
142 1HB SER 18 2HB SER 18 -4.621 9.945 9.945
143 2HB SER 18 1HB SER 18 -4.371 10.974 10.974
144 HG SER 18 HG SER 18 -6.224 11.220 11.220
145 H TRP 19 H TRP 19 -5.357 7.185 7.185
146 HA TRP 19 HA TRP 19 -3.601 8.082 8.082
147 1HB TRP 19 2HB TRP 19 -3.047 6.209 6.209
148 2HB TRP 19 1HB TRP 19 -3.868 5.128 5.128
149 HD1 TRP 19 HD1 TRP 19 -0.592 5.703 5.703
150 HE1 TRP 19 HE1 TRP 19 1.173 5.318 5.318
151 HE3 TRP 19 HE3 TRP 19 -3.575 5.953 5.953
152 HZ2 TRP 19 HZ2 TRP 19 1.295 5.165 5.165
153 HZ3 TRP 19 HZ3 TRP 19 -2.515 5.666 5.666
154 HH2 TRP 19 HH2 TRP 19 -0.085 5.273 5.273
155 H ILE 20 H ILE 20 -5.835 5.291 5.291
156 HA ILE 20 HA ILE 20 -6.597 5.753 5.753
157 HB ILE 20 HB ILE 20 -6.438 3.421 3.421
158 1HG1 ILE 20 2HG1 ILE 20 -6.951 2.318 2.318
159 2HG1 ILE 20 1HG1 ILE 20 -6.964 3.949 3.949
160 1HG2 ILE 20 1HG2 ILE 20 -9.126 3.860 3.860
161 2HG2 ILE 20 3HG2 ILE 20 -8.573 2.336 2.336
162 3HG2 ILE 20 2HG2 ILE 20 -8.839 3.729 3.729
163 1HD1 ILE 20 1HD1 ILE 20 -4.599 4.012 4.012
164 2HD1 ILE 20 3HD1 ILE 20 -4.686 2.308 2.308
165 3HD1 ILE 20 2HD1 ILE 20 -4.694 3.489 3.489
166 H LYS 21 H LYS 21 -8.088 5.821 5.821
167 HA LYS 21 HA LYS 21 -10.722 6.338 6.338
168 1HB LYS 21 2HB LYS 21 -9.512 6.183 6.183
169 2HB LYS 21 1HB LYS 21 -10.382 7.696 7.696
170 1HG LYS 21 2HG LYS 21 -12.157 6.388 6.388
171 2HG LYS 21 1HG LYS 21 -12.312 6.141 6.141
172 1HD LYS 21 2HD LYS 21 -12.363 3.935 3.935
173 2HD LYS 21 1HD LYS 21 -10.683 4.095 4.095
174 1HE LYS 21 2HE LYS 21 -9.990 3.734 3.734
175 2HE LYS 21 1HE LYS 21 -10.967 5.060 5.060
176 1HZ LYS 21 2HZ LYS 21 -12.664 2.847 2.847
177 2HZ LYS 21 1HZ LYS 21 -11.369 2.310 2.310
178 3HZ LYS 21 3HZ LYS 21 -12.333 3.572 3.572
179 H ARG 22 H ARG 22 -7.884 8.336 8.336
180 HA ARG 22 HA ARG 22 -9.437 10.828 10.828
181 1HB ARG 22 2HB ARG 22 -7.208 10.559 10.559
182 2HB ARG 22 1HB ARG 22 -6.429 10.402 10.402
183 1HG ARG 22 2HG ARG 22 -6.651 12.689 12.689
184 2HG ARG 22 1HG ARG 22 -8.287 12.758 12.758
185 1HD ARG 22 2HD ARG 22 -7.432 14.004 14.004
186 2HD ARG 22 1HD ARG 22 -6.951 12.471 12.471
187 HE ARG 22 HE ARG 22 -4.735 12.768 12.768
188 1HH1 ARG 22 1HH2 ARG 22 -5.798 15.108 15.108
189 2HH1 ARG 22 2HH2 ARG 22 -5.094 16.488 16.488
190 1HH2 ARG 22 2HH1 ARG 22 -4.265 14.421 14.421
191 2HH2 ARG 22 1HH1 ARG 22 -4.108 16.039 16.039
192 H LYS 23 H LYS 23 -8.295 8.420 8.420
193 HA LYS 23 HA LYS 23 -8.163 10.117 10.117
194 1HB LYS 23 2HB LYS 23 -6.534 8.226 8.226
195 2HB LYS 23 1HB LYS 23 -7.846 7.091 7.091
196 1HG LYS 23 2HG LYS 23 -7.316 8.910 8.910
197 2HG LYS 23 1HG LYS 23 -6.356 7.470 7.470
198 1HD LYS 23 2HD LYS 23 -9.407 7.558 7.558
199 2HD LYS 23 1HD LYS 23 -8.298 7.119 7.119
200 1HE LYS 23 2HE LYS 23 -7.908 5.494 5.494
201 2HE LYS 23 1HE LYS 23 -9.528 5.351 5.351
202 1HZ LYS 23 1HZ LYS 23 -7.662 5.169 5.169
203 2HZ LYS 23 3HZ LYS 23 -7.192 4.112 4.112
204 3HZ LYS 23 2HZ LYS 23 -8.744 3.986 3.986
205 H ARG 24 H ARG 24 -9.954 7.536 7.536
206 HA ARG 24 HA ARG 24 -11.986 7.053 7.053
207 1HB ARG 24 2HB ARG 24 -11.394 6.339 6.339
208 2HB ARG 24 1HB ARG 24 -13.012 6.972 6.972
209 1HG ARG 24 2HG ARG 24 -13.067 5.281 5.281
210 2HG ARG 24 1HG ARG 24 -11.952 4.455 4.455
211 1HD ARG 24 2HD ARG 24 -13.972 3.574 3.574
212 2HD ARG 24 1HD ARG 24 -13.852 4.932 4.932
213 HE ARG 24 HE ARG 24 -15.321 6.213 6.213
214 1HH1 ARG 24 1HH2 ARG 24 -15.637 4.752 4.752
215 2HH1 ARG 24 2HH2 ARG 24 -16.940 3.652 3.652
216 1HH2 ARG 24 2HH1 ARG 24 -16.688 4.052 4.052
217 2HH2 ARG 24 1HH1 ARG 24 -17.587 3.217 3.217
218 H GLN 25 H GLN 25 -11.593 9.799 9.799
219 HA GLN 25 HA GLN 25 -14.382 10.729 10.729
220 1HB GLN 25 2HB GLN 25 -13.793 12.542 12.542
221 2HB GLN 25 1HB GLN 25 -13.644 10.951 10.951
222 1HG GLN 25 2HG GLN 25 -11.353 11.022 11.022
223 2HG GLN 25 1HG GLN 25 -11.124 12.009 12.009
224 1HE2 GLN 25 2HE2 GLN 25 -12.069 14.993 14.993
225 2HE2 GLN 25 1HE2 GLN 25 -12.787 14.231 14.231
226 H GLN 26 H GLN 26 -11.711 10.820 10.820
227 HA GLN 26 HA GLN 26 -12.121 13.645 13.645
228 1HB GLN 26 2HB GLN 26 -9.813 13.104 13.104
229 2HB GLN 26 1HB GLN 26 -9.712 11.800 11.800
230 1HG GLN 26 2HG GLN 26 -10.119 13.651 13.651
231 2HG GLN 26 1HG GLN 26 -9.847 14.816 14.816
232 1HE2 GLN 26 2HE2 GLN 26 -6.576 12.496 12.496
233 2HE2 GLN 26 1HE2 GLN 26 -8.055 11.703 11.703
234 1HN NH2 27 1HT GLN 26 -11.869 10.246 10.246
235 2HN NH2 27 2HT GLN 26 -12.481 10.537 10.537
Start of MODEL 13
1 1H GLY 1 1H GLY 1 3.471 -0.318 -0.318
2 2H GLY 1 3H GLY 1 3.644 -0.423 -0.423
3 3H GLY 1 2H GLY 1 4.856 -1.053 -1.053
4 1HA GLY 1 2HA GLY 1 3.801 -3.020 -3.020
5 2HA GLY 1 1HA GLY 1 2.542 -2.363 -2.363
6 H ILE 2 H ILE 2 1.681 -4.042 -4.042
7 HA ILE 2 HA ILE 2 0.634 -2.105 -2.105
8 HB ILE 2 HB ILE 2 0.237 -4.224 -4.224
9 1HG1 ILE 2 2HG1 ILE 2 2.245 -5.425 -5.425
10 2HG1 ILE 2 1HG1 ILE 2 0.545 -5.862 -5.862
11 1HG2 ILE 2 3HG2 ILE 2 2.097 -2.570 -2.570
12 2HG2 ILE 2 2HG2 ILE 2 3.152 -3.515 -3.515
13 3HG2 ILE 2 1HG2 ILE 2 2.544 -4.198 -4.198
14 1HD1 ILE 2 2HD1 ILE 2 1.055 -6.459 -6.459
15 2HD1 ILE 2 1HD1 ILE 2 2.747 -6.405 -6.405
16 3HD1 ILE 2 3HD1 ILE 2 1.658 -7.548 -7.548
17 H GLY 3 H GLY 3 -0.721 -2.007 -2.007
18 1HA GLY 3 2HA GLY 3 -3.112 -3.797 -3.797
19 2HA GLY 3 1HA GLY 3 -2.749 -2.827 -2.827
20 H ALA 4 H ALA 4 -2.058 -0.525 -0.525
21 HA ALA 4 HA ALA 4 -4.831 0.454 0.454
22 1HB ALA 4 2HB ALA 4 -2.201 2.008 2.008
23 2HB ALA 4 1HB ALA 4 -3.786 2.724 2.724
24 3HB ALA 4 3HB ALA 4 -3.443 1.801 1.801
25 H VAL 5 H VAL 5 -1.569 0.409 0.409
26 HA VAL 5 HA VAL 5 -1.631 1.563 1.563
27 HB VAL 5 HB VAL 5 -0.460 -1.235 -1.235
28 1HG1 VAL 5 3HG1 VAL 5 0.373 1.040 1.040
29 2HG1 VAL 5 2HG1 VAL 5 1.387 -0.352 -0.352
30 3HG1 VAL 5 1HG1 VAL 5 -0.143 -0.573 -0.573
31 1HG2 VAL 5 3HG2 VAL 5 0.519 1.513 1.513
32 2HG2 VAL 5 2HG2 VAL 5 0.312 0.085 0.085
33 3HG2 VAL 5 1HG2 VAL 5 1.613 0.157 0.157
34 H LEU 6 H LEU 6 -2.608 -1.771 -1.771
35 HA LEU 6 HA LEU 6 -3.497 -2.434 -2.434
36 1HB LEU 6 2HB LEU 6 -4.789 -3.365 -3.365
37 2HB LEU 6 1HB LEU 6 -4.822 -4.191 -4.191
38 HG LEU 6 HG LEU 6 -2.321 -3.669 -3.669
39 1HD1 LEU 6 1HD1 LEU 6 -3.920 -5.496 -5.496
40 2HD1 LEU 6 3HD1 LEU 6 -3.568 -6.339 -6.339
41 3HD1 LEU 6 2HD1 LEU 6 -2.290 -6.012 -6.012
42 1HD2 LEU 6 1HD2 LEU 6 -2.611 -4.948 -4.948
43 2HD2 LEU 6 3HD2 LEU 6 -1.580 -3.596 -3.596
44 3HD2 LEU 6 2HD2 LEU 6 -1.220 -5.202 -5.202
45 H LYS 7 H LYS 7 -5.165 -0.629 -0.629
46 HA LYS 7 HA LYS 7 -7.687 -0.734 -0.734
47 1HB LYS 7 2HB LYS 7 -6.603 1.107 1.107
48 2HB LYS 7 1HB LYS 7 -8.247 1.240 1.240
49 1HG LYS 7 2HG LYS 7 -7.339 -1.568 -1.568
50 2HG LYS 7 1HG LYS 7 -7.329 -0.439 -0.439
51 1HD LYS 7 2HD LYS 7 -9.482 -1.319 -1.319
52 2HD LYS 7 1HD LYS 7 -9.778 0.182 0.182
53 1HE LYS 7 2HE LYS 7 -9.460 -2.549 -2.549
54 2HE LYS 7 1HE LYS 7 -11.003 -1.810 -1.810
55 1HZ LYS 7 1HZ LYS 7 -9.417 0.053 0.053
56 2HZ LYS 7 3HZ LYS 7 -9.454 -1.382 -1.382
57 3HZ LYS 7 2HZ LYS 7 -10.887 -0.636 -0.636
58 H VAL 8 H VAL 8 -4.962 1.451 1.451
59 HA VAL 8 HA VAL 8 -6.315 3.567 3.567
60 HB VAL 8 HB VAL 8 -3.374 2.712 2.712
61 1HG1 VAL 8 2HG1 VAL 8 -4.245 4.573 4.573
62 2HG1 VAL 8 1HG1 VAL 8 -4.699 5.447 5.447
63 3HG1 VAL 8 3HG1 VAL 8 -3.004 5.108 5.108
64 1HG2 VAL 8 2HG2 VAL 8 -4.767 4.172 4.172
65 2HG2 VAL 8 1HG2 VAL 8 -3.701 2.784 2.784
66 3HG2 VAL 8 3HG2 VAL 8 -3.050 4.357 4.357
67 H LEU 9 H LEU 9 -4.757 0.599 0.599
68 HA LEU 9 HA LEU 9 -4.899 1.024 1.024
69 1HB LEU 9 2HB LEU 9 -5.351 -1.760 -1.760
70 2HB LEU 9 1HB LEU 9 -4.290 -1.236 -1.236
71 HG LEU 9 HG LEU 9 -3.792 -0.915 -0.915
72 1HD1 LEU 9 2HD1 LEU 9 -2.546 -2.664 -2.664
73 2HD1 LEU 9 1HD1 LEU 9 -1.914 -2.462 -2.462
74 3HD1 LEU 9 3HD1 LEU 9 -3.496 -3.182 -3.182
75 1HD2 LEU 9 3HD2 LEU 9 -2.792 0.994 0.994
76 2HD2 LEU 9 2HD2 LEU 9 -1.601 -0.022 -0.022
77 3HD2 LEU 9 1HD2 LEU 9 -1.921 -0.207 -0.207
78 H THR 10 H THR 10 -7.242 0.260 0.260
79 HA THR 10 HA THR 10 -9.246 -0.767 -0.767
80 HB THR 10 HB THR 10 -10.146 0.404 0.404
81 HG1 THR 10 HG1 THR 10 -8.068 -1.409 -1.409
82 1HG2 THR 10 2HG2 THR 10 -11.622 -1.034 -1.034
83 2HG2 THR 10 1HG2 THR 10 -10.498 -2.364 -2.364
84 3HG2 THR 10 3HG2 THR 10 -11.411 -1.755 -1.755
85 H THR 11 H THR 11 -8.027 2.265 2.265
86 HA THR 11 HA THR 11 -10.491 3.676 3.676
87 HB THR 11 HB THR 11 -8.020 5.221 5.221
88 HG1 THR 11 HG1 THR 11 -9.635 3.984 3.984
89 1HG2 THR 11 1HG2 THR 11 -10.996 5.310 5.310
90 2HG2 THR 11 3HG2 THR 11 -9.765 6.422 6.422
91 3HG2 THR 11 2HG2 THR 11 -10.196 6.401 6.401
92 H GLY 12 H GLY 12 -7.512 2.496 2.496
93 1HA GLY 12 2HA GLY 12 -7.636 2.785 2.785
94 2HA GLY 12 1HA GLY 12 -7.323 4.475 4.475
95 H LEU 13 H LEU 13 -5.838 1.814 1.814
96 HA LEU 13 HA LEU 13 -3.600 1.444 1.444
97 1HB LEU 13 2HB LEU 13 -4.245 0.828 0.828
98 2HB LEU 13 1HB LEU 13 -2.539 0.893 0.893
99 HG LEU 13 HG LEU 13 -3.071 -0.680 -0.680
100 1HD1 LEU 13 3HD1 LEU 13 -5.650 -0.987 -0.987
101 2HD1 LEU 13 2HD1 LEU 13 -5.158 -2.054 -2.054
102 3HD1 LEU 13 1HD1 LEU 13 -5.534 -0.379 -0.379
103 1HD2 LEU 13 3HD2 LEU 13 -1.954 -1.419 -1.419
104 2HD2 LEU 13 2HD2 LEU 13 -2.914 -2.685 -2.685
105 3HD2 LEU 13 1HD2 LEU 13 -3.536 -1.807 -1.807
106 HA PRO 14 HA DPR 14 -0.664 4.875 4.875
107 1HB PRO 14 2HB DPR 14 -1.155 6.134 6.134
108 2HB PRO 14 1HB DPR 14 -2.861 5.654 5.654
109 1HG PRO 14 2HG DPR 14 -0.459 3.822 3.822
110 2HG PRO 14 1HG DPR 14 -1.915 3.968 3.968
111 1HD PRO 14 2HD DPR 14 -1.713 2.065 2.065
112 2HD PRO 14 1HD DPR 14 -3.259 2.823 2.823
113 H ALA 15 H ALA 15 -1.126 5.425 5.425
114 HA ALA 15 HA ALA 15 -2.766 7.898 7.898
115 1HB ALA 15 3HB ALA 15 -0.351 8.025 8.025
116 2HB ALA 15 2HB ALA 15 -0.596 6.862 6.862
117 3HB ALA 15 1HB ALA 15 -1.367 8.438 8.438
118 H LEU 16 H LEU 16 -3.097 4.660 4.660
119 HA LEU 16 HA LEU 16 -3.990 4.648 4.648
120 1HB LEU 16 2HB LEU 16 -4.799 3.263 3.263
121 2HB LEU 16 1HB LEU 16 -5.937 3.131 3.131
122 HG LEU 16 HG LEU 16 -4.142 1.378 1.378
123 1HD1 LEU 16 2HD1 LEU 16 -5.405 2.477 2.477
124 2HD1 LEU 16 1HD1 LEU 16 -3.724 2.516 2.516
125 3HD1 LEU 16 3HD1 LEU 16 -4.464 0.996 0.996
126 1HD2 LEU 16 1HD2 LEU 16 -2.135 2.668 2.668
127 2HD2 LEU 16 3HD2 LEU 16 -1.933 1.783 1.783
128 3HD2 LEU 16 2HD2 LEU 16 -2.245 3.505 3.505
129 H ILE 17 H ILE 17 -5.820 5.923 5.923
130 HA ILE 17 HA ILE 17 -8.299 6.410 6.410
131 HB ILE 17 HB ILE 17 -7.168 8.623 8.623
132 1HG1 ILE 17 2HG1 ILE 17 -7.830 6.926 6.926
133 2HG1 ILE 17 1HG1 ILE 17 -7.440 5.720 5.720
134 1HG2 ILE 17 1HG2 ILE 17 -9.594 8.423 8.423
135 2HG2 ILE 17 3HG2 ILE 17 -9.746 7.051 7.051
136 3HG2 ILE 17 2HG2 ILE 17 -9.357 8.643 8.643
137 1HD1 ILE 17 3HD1 ILE 17 -5.268 7.565 7.565
138 2HD1 ILE 17 2HD1 ILE 17 -5.646 7.438 7.438
139 3HD1 ILE 17 1HD1 ILE 17 -5.239 6.005 6.005
140 H SER 18 H SER 18 -5.365 8.328 8.328
141 HA SER 18 HA SER 18 -6.804 10.152 10.152
142 1HB SER 18 2HB SER 18 -4.513 10.518 10.518
143 2HB SER 18 1HB SER 18 -4.123 11.101 11.101
144 HG SER 18 HG SER 18 -5.489 12.433 12.433
145 H TRP 19 H TRP 19 -5.438 7.355 7.355
146 HA TRP 19 HA TRP 19 -3.890 7.850 7.850
147 1HB TRP 19 2HB TRP 19 -3.270 6.216 6.216
148 2HB TRP 19 1HB TRP 19 -4.060 5.038 5.038
149 HD1 TRP 19 HD1 TRP 19 -0.797 5.759 5.759
150 HE1 TRP 19 HE1 TRP 19 0.967 5.397 5.397
151 HE3 TRP 19 HE3 TRP 19 -3.847 5.748 5.748
152 HZ2 TRP 19 HZ2 TRP 19 1.040 5.158 5.158
153 HZ3 TRP 19 HZ3 TRP 19 -2.837 5.440 5.440
154 HH2 TRP 19 HH2 TRP 19 -0.396 5.143 5.143
155 H ILE 20 H ILE 20 -6.239 5.344 5.344
156 HA ILE 20 HA ILE 20 -7.063 5.169 5.169
157 HB ILE 20 HB ILE 20 -7.028 3.372 3.372
158 1HG1 ILE 20 2HG1 ILE 20 -7.814 2.820 2.820
159 2HG1 ILE 20 1HG1 ILE 20 -6.149 3.017 3.017
160 1HG2 ILE 20 2HG2 ILE 20 -9.687 3.652 3.652
161 2HG2 ILE 20 1HG2 ILE 20 -9.281 2.293 2.293
162 3HG2 ILE 20 3HG2 ILE 20 -9.423 3.911 3.911
163 1HD1 ILE 20 1HD1 ILE 20 -6.534 1.111 1.111
164 2HD1 ILE 20 3HD1 ILE 20 -8.077 0.832 0.832
165 3HD1 ILE 20 2HD1 ILE 20 -6.584 0.647 0.647
166 H LYS 21 H LYS 21 -8.534 6.031 6.031
167 HA LYS 21 HA LYS 21 -11.118 6.484 6.484
168 1HB LYS 21 2HB LYS 21 -9.719 7.042 7.042
169 2HB LYS 21 1HB LYS 21 -10.946 8.233 8.233
170 1HG LYS 21 2HG LYS 21 -12.570 6.327 6.327
171 2HG LYS 21 1HG LYS 21 -11.287 5.191 5.191
172 1HD LYS 21 2HD LYS 21 -11.932 5.242 5.242
173 2HD LYS 21 1HD LYS 21 -11.146 6.802 6.802
174 1HE LYS 21 2HE LYS 21 -13.220 7.993 7.993
175 2HE LYS 21 1HE LYS 21 -14.073 6.532 6.532
176 1HZ LYS 21 3HZ LYS 21 -13.000 6.187 6.187
177 2HZ LYS 21 2HZ LYS 21 -13.873 7.641 7.641
178 3HZ LYS 21 1HZ LYS 21 -14.634 6.196 6.196
179 H ARG 22 H ARG 22 -8.156 8.244 8.244
180 HA ARG 22 HA ARG 22 -9.290 10.802 10.802
181 1HB ARG 22 2HB ARG 22 -7.017 10.499 10.499
182 2HB ARG 22 1HB ARG 22 -6.502 9.600 9.600
183 1HG ARG 22 2HG ARG 22 -6.481 11.534 11.534
184 2HG ARG 22 1HG ARG 22 -7.697 12.352 12.352
185 1HD ARG 22 2HD ARG 22 -6.091 13.542 13.542
186 2HD ARG 22 1HD ARG 22 -5.462 12.088 12.088
187 HE ARG 22 HE ARG 22 -4.586 13.012 13.012
188 1HH1 ARG 22 1HH2 ARG 22 -3.983 10.444 10.444
189 2HH1 ARG 22 2HH2 ARG 22 -2.322 10.673 10.673
190 1HH2 ARG 22 2HH1 ARG 22 -2.560 14.103 14.103
191 2HH2 ARG 22 1HH1 ARG 22 -1.455 12.932 12.932
192 H LYS 23 H LYS 23 -8.066 8.082 8.082
193 HA LYS 23 HA LYS 23 -8.869 9.431 9.431
194 1HB LYS 23 2HB LYS 23 -7.925 7.359 7.359
195 2HB LYS 23 1HB LYS 23 -6.756 8.264 8.264
196 1HG LYS 23 2HG LYS 23 -6.915 6.719 6.719
197 2HG LYS 23 1HG LYS 23 -8.256 5.851 5.851
198 1HD LYS 23 2HD LYS 23 -5.654 6.045 6.045
199 2HD LYS 23 1HD LYS 23 -5.687 5.017 5.017
200 1HE LYS 23 2HE LYS 23 -6.706 3.356 3.356
201 2HE LYS 23 1HE LYS 23 -8.089 4.393 4.393
202 1HZ LYS 23 2HZ LYS 23 -6.091 5.223 5.223
203 2HZ LYS 23 1HZ LYS 23 -6.187 3.534 3.534
204 3HZ LYS 23 3HZ LYS 23 -7.566 4.489 4.489
205 H ARG 24 H ARG 24 -10.255 7.213 7.213
206 HA ARG 24 HA ARG 24 -12.037 6.105 6.105
207 1HB ARG 24 2HB ARG 24 -11.102 4.836 4.836
208 2HB ARG 24 1HB ARG 24 -12.434 5.629 5.629
209 1HG ARG 24 2HG ARG 24 -13.737 4.674 4.674
210 2HG ARG 24 1HG ARG 24 -12.456 3.489 3.489
211 1HD ARG 24 2HD ARG 24 -13.254 2.631 2.631
212 2HD ARG 24 1HD ARG 24 -14.069 4.129 4.129
213 HE ARG 24 HE ARG 24 -15.059 2.339 2.339
214 1HH1 ARG 24 1HH2 ARG 24 -16.141 5.061 5.061
215 2HH1 ARG 24 2HH2 ARG 24 -17.573 4.807 4.807
216 1HH2 ARG 24 2HH1 ARG 24 -16.451 1.534 1.534
217 2HH2 ARG 24 1HH1 ARG 24 -17.765 2.620 2.620
218 H GLN 25 H GLN 25 -12.023 8.573 8.573
219 HA GLN 25 HA GLN 25 -14.946 9.015 9.015
220 1HB GLN 25 2HB GLN 25 -13.078 10.310 10.310
221 2HB GLN 25 1HB GLN 25 -14.808 10.533 10.533
222 1HG GLN 25 2HG GLN 25 -15.314 8.307 8.307
223 2HG GLN 25 1HG GLN 25 -13.716 7.702 7.702
224 1HE2 GLN 25 2HE2 GLN 25 -12.497 9.664 9.664
225 2HE2 GLN 25 1HE2 GLN 25 -12.261 9.884 9.884
226 H GLN 26 H GLN 26 -11.792 10.465 10.465
227 HA GLN 26 HA GLN 26 -13.230 12.794 12.794
228 1HB GLN 26 2HB GLN 26 -11.391 13.212 13.212
229 2HB GLN 26 1HB GLN 26 -10.245 12.648 12.648
230 1HG GLN 26 2HG GLN 26 -10.580 14.491 14.491
231 2HG GLN 26 1HG GLN 26 -12.179 14.845 14.845
232 1HE2 GLN 26 2HE2 GLN 26 -8.937 16.334 16.334
233 2HE2 GLN 26 1HE2 GLN 26 -8.700 15.107 15.107
234 1HN NH2 27 1HT GLN 26 -13.653 11.926 11.926
235 2HN NH2 27 2HT GLN 26 -12.434 11.341 11.341
Start of MODEL 14
1 1H GLY 1 2H GLY 1 4.941 -1.718 -1.718
2 2H GLY 1 1H GLY 1 5.464 -1.717 -1.717
3 3H GLY 1 3H GLY 1 6.055 -2.889 -2.889
4 1HA GLY 1 2HA GLY 1 4.348 -4.244 -4.244
5 2HA GLY 1 1HA GLY 1 3.724 -3.022 -3.022
6 H ILE 2 H ILE 2 1.627 -4.104 -4.104
7 HA ILE 2 HA ILE 2 1.124 -2.455 -2.455
8 HB ILE 2 HB ILE 2 -0.804 -4.218 -4.218
9 1HG1 ILE 2 2HG1 ILE 2 -0.313 -6.440 -6.440
10 2HG1 ILE 2 1HG1 ILE 2 1.022 -5.824 -5.824
11 1HG2 ILE 2 1HG2 ILE 2 1.350 -4.044 -4.044
12 2HG2 ILE 2 3HG2 ILE 2 2.086 -5.192 -5.192
13 3HG2 ILE 2 2HG2 ILE 2 0.710 -5.666 -5.666
14 1HD1 ILE 2 2HD1 ILE 2 -1.660 -4.500 -4.500
15 2HD1 ILE 2 1HD1 ILE 2 -1.475 -6.137 -6.137
16 3HD1 ILE 2 3HD1 ILE 2 -0.424 -4.883 -4.883
17 H GLY 3 H GLY 3 0.318 -2.686 -2.686
18 1HA GLY 3 2HA GLY 3 -1.964 -2.285 -2.285
19 2HA GLY 3 1HA GLY 3 -0.929 -0.886 -0.886
20 H ALA 4 H ALA 4 -1.205 0.752 0.752
21 HA ALA 4 HA ALA 4 -4.087 1.040 1.040
22 1HB ALA 4 3HB ALA 4 -1.845 3.113 3.113
23 2HB ALA 4 2HB ALA 4 -3.515 3.460 3.460
24 3HB ALA 4 1HB ALA 4 -3.112 2.874 2.874
25 H VAL 5 H VAL 5 -1.237 0.099 0.099
26 HA VAL 5 HA VAL 5 -1.409 1.397 1.397
27 HB VAL 5 HB VAL 5 -0.392 -1.459 -1.459
28 1HG1 VAL 5 2HG1 VAL 5 -0.657 -0.698 -0.698
29 2HG1 VAL 5 1HG1 VAL 5 0.478 0.596 0.596
30 3HG1 VAL 5 3HG1 VAL 5 0.996 -1.078 -1.078
31 1HG2 VAL 5 3HG2 VAL 5 1.086 1.203 1.203
32 2HG2 VAL 5 2HG2 VAL 5 0.769 0.030 0.030
33 3HG2 VAL 5 1HG2 VAL 5 1.878 -0.362 -0.362
34 H LEU 6 H LEU 6 -2.656 -1.558 -1.558
35 HA LEU 6 HA LEU 6 -4.054 -2.725 -2.725
36 1HB LEU 6 2HB LEU 6 -5.216 -2.278 -2.278
37 2HB LEU 6 1HB LEU 6 -5.737 -3.509 -3.509
38 HG LEU 6 HG LEU 6 -2.825 -3.431 -3.431
39 1HD1 LEU 6 2HD1 LEU 6 -5.240 -4.406 -4.406
40 2HD1 LEU 6 1HD1 LEU 6 -3.704 -5.227 -5.227
41 3HD1 LEU 6 3HD1 LEU 6 -3.840 -3.525 -3.525
42 1HD2 LEU 6 1HD2 LEU 6 -3.472 -4.957 -4.957
43 2HD2 LEU 6 3HD2 LEU 6 -2.949 -5.846 -5.846
44 3HD2 LEU 6 2HD2 LEU 6 -4.657 -5.722 -5.722
45 H LYS 7 H LYS 7 -5.060 -0.116 -0.116
46 HA LYS 7 HA LYS 7 -7.574 0.534 0.534
47 1HB LYS 7 2HB LYS 7 -5.799 1.718 1.718
48 2HB LYS 7 1HB LYS 7 -5.956 2.936 2.936
49 1HG LYS 7 2HG LYS 7 -7.739 3.448 3.448
50 2HG LYS 7 1HG LYS 7 -8.543 2.504 2.504
51 1HD LYS 7 2HD LYS 7 -7.731 0.496 0.496
52 2HD LYS 7 1HD LYS 7 -7.895 1.852 1.852
53 1HE LYS 7 2HE LYS 7 -10.002 0.677 0.677
54 2HE LYS 7 1HE LYS 7 -10.237 2.221 2.221
55 1HZ LYS 7 1HZ LYS 7 -9.480 0.342 0.342
56 2HZ LYS 7 3HZ LYS 7 -10.696 -0.349 -0.349
57 3HZ LYS 7 2HZ LYS 7 -10.955 1.139 1.139
58 H VAL 8 H VAL 8 -4.460 1.669 1.669
59 HA VAL 8 HA VAL 8 -5.224 3.444 3.444
60 HB VAL 8 HB VAL 8 -2.744 1.616 1.616
61 1HG1 VAL 8 1HG1 VAL 8 -3.367 4.021 4.021
62 2HG1 VAL 8 3HG1 VAL 8 -1.689 3.656 3.656
63 3HG1 VAL 8 2HG1 VAL 8 -2.637 2.523 2.523
64 1HG2 VAL 8 1HG2 VAL 8 -3.258 4.464 4.464
65 2HG2 VAL 8 3HG2 VAL 8 -3.153 3.053 3.053
66 3HG2 VAL 8 2HG2 VAL 8 -1.742 3.593 3.593
67 H LEU 9 H LEU 9 -4.951 0.038 0.038
68 HA LEU 9 HA LEU 9 -5.561 -0.313 -0.313
69 1HB LEU 9 2HB LEU 9 -5.462 -2.640 -2.640
70 2HB LEU 9 1HB LEU 9 -4.912 -2.554 -2.554
71 HG LEU 9 HG LEU 9 -3.504 -1.057 -1.057
72 1HD1 LEU 9 3HD1 LEU 9 -3.618 -3.615 -3.615
73 2HD1 LEU 9 2HD1 LEU 9 -2.576 -3.736 -3.736
74 3HD1 LEU 9 1HD1 LEU 9 -2.036 -2.863 -2.863
75 1HD2 LEU 9 1HD2 LEU 9 -2.745 -1.881 -1.881
76 2HD2 LEU 9 3HD2 LEU 9 -2.811 -0.255 -0.255
77 3HD2 LEU 9 2HD2 LEU 9 -1.541 -1.352 -1.352
78 H THR 10 H THR 10 -7.484 0.443 0.443
79 HA THR 10 HA THR 10 -9.679 -1.431 -1.431
80 HB THR 10 HB THR 10 -10.429 0.170 0.170
81 HG1 THR 10 HG1 THR 10 -7.815 -0.875 -0.875
82 1HG2 THR 10 3HG2 THR 10 -9.736 -2.793 -2.793
83 2HG2 THR 10 2HG2 THR 10 -10.533 -2.132 -2.132
84 3HG2 THR 10 1HG2 THR 10 -11.347 -2.102 -2.102
85 H THR 11 H THR 11 -8.458 1.542 1.542
86 HA THR 11 HA THR 11 -11.118 2.709 2.709
87 HB THR 11 HB THR 11 -8.557 4.235 4.235
88 HG1 THR 11 HG1 THR 11 -10.777 4.372 4.372
89 1HG2 THR 11 1HG2 THR 11 -11.490 5.121 5.121
90 2HG2 THR 11 3HG2 THR 11 -10.189 6.146 6.146
91 3HG2 THR 11 2HG2 THR 11 -10.167 5.577 5.577
92 H GLY 12 H GLY 12 -7.644 3.016 3.016
93 1HA GLY 12 2HA GLY 12 -8.470 2.707 2.707
94 2HA GLY 12 1HA GLY 12 -7.543 4.140 4.140
95 H LEU 13 H LEU 13 -5.491 3.936 3.936
96 HA LEU 13 HA LEU 13 -3.788 1.902 1.902
97 1HB LEU 13 2HB LEU 13 -4.938 1.480 1.480
98 2HB LEU 13 1HB LEU 13 -3.193 1.607 1.607
99 HG LEU 13 HG LEU 13 -4.595 -0.280 -0.280
100 1HD1 LEU 13 3HD1 LEU 13 -5.227 -0.749 -0.749
101 2HD1 LEU 13 2HD1 LEU 13 -3.520 -0.938 -0.938
102 3HD1 LEU 13 1HD1 LEU 13 -4.303 -2.032 -2.032
103 1HD2 LEU 13 3HD2 LEU 13 -1.755 0.242 0.242
104 2HD2 LEU 13 2HD2 LEU 13 -2.369 -0.165 -0.165
105 3HD2 LEU 13 1HD2 LEU 13 -2.211 -1.406 -1.406
106 HA PRO 14 HA DPR 14 -1.308 5.573 5.573
107 1HB PRO 14 2HB DPR 14 -1.963 7.234 7.234
108 2HB PRO 14 1HB DPR 14 -3.638 7.237 7.237
109 1HG PRO 14 2HG DPR 14 -2.229 5.165 5.165
110 2HG PRO 14 1HG DPR 14 -3.786 5.931 5.931
111 1HD PRO 14 2HD DPR 14 -3.769 3.486 3.486
112 2HD PRO 14 1HD DPR 14 -4.887 4.726 4.726
113 H ALA 15 H ALA 15 -1.499 5.347 5.347
114 HA ALA 15 HA ALA 15 -2.522 7.925 7.925
115 1HB ALA 15 2HB ALA 15 -0.143 7.412 7.412
116 2HB ALA 15 1HB ALA 15 -0.544 6.004 6.004
117 3HB ALA 15 3HB ALA 15 -0.944 7.629 7.629
118 H LEU 16 H LEU 16 -3.056 4.507 4.507
119 HA LEU 16 HA LEU 16 -4.013 4.241 4.241
120 1HB LEU 16 2HB LEU 16 -4.826 3.050 3.050
121 2HB LEU 16 1HB LEU 16 -5.804 2.675 2.675
122 HG LEU 16 HG LEU 16 -3.859 1.076 1.076
123 1HD1 LEU 16 3HD1 LEU 16 -4.314 2.284 2.284
124 2HD1 LEU 16 2HD1 LEU 16 -3.281 0.890 0.890
125 3HD1 LEU 16 1HD1 LEU 16 -4.974 0.799 0.799
126 1HD2 LEU 16 1HD2 LEU 16 -2.069 2.759 2.759
127 2HD2 LEU 16 3HD2 LEU 16 -1.646 1.624 1.624
128 3HD2 LEU 16 2HD2 LEU 16 -2.157 3.240 3.240
129 H ILE 17 H ILE 17 -5.930 5.485 5.485
130 HA ILE 17 HA ILE 17 -8.351 5.802 5.802
131 HB ILE 17 HB ILE 17 -8.509 7.713 7.713
132 1HG1 ILE 17 2HG1 ILE 17 -7.319 7.086 7.086
133 2HG1 ILE 17 1HG1 ILE 17 -6.542 5.732 5.732
134 1HG2 ILE 17 2HG2 ILE 17 -8.688 4.702 4.702
135 2HG2 ILE 17 1HG2 ILE 17 -9.329 5.868 5.868
136 3HG2 ILE 17 3HG2 ILE 17 -9.985 5.795 5.795
137 1HD1 ILE 17 2HD1 ILE 17 -6.113 8.460 8.460
138 2HD1 ILE 17 1HD1 ILE 17 -5.383 8.130 8.130
139 3HD1 ILE 17 3HD1 ILE 17 -4.986 7.120 7.120
140 H SER 18 H SER 18 -5.451 7.594 7.594
141 HA SER 18 HA SER 18 -6.656 9.864 9.864
142 1HB SER 18 2HB SER 18 -3.991 9.494 9.494
143 2HB SER 18 1HB SER 18 -4.404 10.961 10.961
144 HG SER 18 HG SER 18 -5.333 11.375 11.375
145 H TRP 19 H TRP 19 -5.460 7.000 7.000
146 HA TRP 19 HA TRP 19 -3.893 7.793 7.793
147 1HB TRP 19 2HB TRP 19 -3.243 5.924 5.924
148 2HB TRP 19 1HB TRP 19 -4.234 4.883 4.883
149 HD1 TRP 19 HD1 TRP 19 -0.825 5.326 5.326
150 HE1 TRP 19 HE1 TRP 19 0.711 4.802 4.802
151 HE3 TRP 19 HE3 TRP 19 -4.250 5.536 5.536
152 HZ2 TRP 19 HZ2 TRP 19 0.510 4.512 4.512
153 HZ3 TRP 19 HZ3 TRP 19 -3.478 5.102 5.102
154 HH2 TRP 19 HH2 TRP 19 -1.101 4.591 4.591
155 H ILE 20 H ILE 20 -6.224 5.103 5.103
156 HA ILE 20 HA ILE 20 -7.108 5.498 5.498
157 HB ILE 20 HB ILE 20 -7.145 3.342 3.342
158 1HG1 ILE 20 2HG1 ILE 20 -7.616 3.275 3.275
159 2HG1 ILE 20 1HG1 ILE 20 -6.025 3.312 3.312
160 1HG2 ILE 20 3HG2 ILE 20 -9.646 3.855 3.855
161 2HG2 ILE 20 2HG2 ILE 20 -9.310 2.345 2.345
162 3HG2 ILE 20 1HG2 ILE 20 -9.519 3.841 3.841
163 1HD1 ILE 20 3HD1 ILE 20 -6.811 1.204 1.204
164 2HD1 ILE 20 2HD1 ILE 20 -8.094 1.107 1.107
165 3HD1 ILE 20 1HD1 ILE 20 -6.418 0.998 0.998
166 H LYS 21 H LYS 21 -8.491 6.025 6.025
167 HA LYS 21 HA LYS 21 -11.066 6.640 6.640
168 1HB LYS 21 2HB LYS 21 -9.892 7.037 7.037
169 2HB LYS 21 1HB LYS 21 -11.427 7.765 7.765
170 1HG LYS 21 2HG LYS 21 -12.152 5.418 5.418
171 2HG LYS 21 1HG LYS 21 -10.645 4.807 4.807
172 1HD LYS 21 2HD LYS 21 -12.072 4.344 4.344
173 2HD LYS 21 1HD LYS 21 -11.376 5.867 5.867
174 1HE LYS 21 2HE LYS 21 -13.376 7.094 7.094
175 2HE LYS 21 1HE LYS 21 -14.034 5.666 5.666
176 1HZ LYS 21 1HZ LYS 21 -13.499 5.089 5.089
177 2HZ LYS 21 3HZ LYS 21 -14.439 6.501 6.501
178 3HZ LYS 21 2HZ LYS 21 -14.995 5.073 5.073
179 H ARG 22 H ARG 22 -8.145 8.144 8.144
180 HA ARG 22 HA ARG 22 -9.210 10.900 10.900
181 1HB ARG 22 2HB ARG 22 -6.990 10.157 10.157
182 2HB ARG 22 1HB ARG 22 -6.380 9.812 9.812
183 1HG ARG 22 2HG ARG 22 -5.957 12.001 12.001
184 2HG ARG 22 1HG ARG 22 -7.563 12.512 12.512
185 1HD ARG 22 2HD ARG 22 -6.365 11.924 11.924
186 2HD ARG 22 1HD ARG 22 -5.015 12.517 12.517
187 HE ARG 22 HE ARG 22 -7.577 14.082 14.082
188 1HH1 ARG 22 2HH1 ARG 22 -5.870 15.135 15.135
189 2HH1 ARG 22 1HH1 ARG 22 -4.818 16.251 16.251
190 1HH2 ARG 22 1HH2 ARG 22 -5.626 14.671 14.671
191 2HH2 ARG 22 2HH2 ARG 22 -4.653 15.946 15.946
192 H LYS 23 H LYS 23 -7.526 8.523 8.523
193 HA LYS 23 HA LYS 23 -7.936 9.884 9.884
194 1HB LYS 23 2HB LYS 23 -6.659 8.177 8.177
195 2HB LYS 23 1HB LYS 23 -6.276 7.877 7.877
196 1HG LYS 23 2HG LYS 23 -8.162 6.177 6.177
197 2HG LYS 23 1HG LYS 23 -8.424 6.439 6.439
198 1HD LYS 23 2HD LYS 23 -5.637 5.874 5.874
199 2HD LYS 23 1HD LYS 23 -6.366 4.803 4.803
200 1HE LYS 23 2HE LYS 23 -6.392 3.641 3.641
201 2HE LYS 23 1HE LYS 23 -8.046 4.079 4.079
202 1HZ LYS 23 2HZ LYS 23 -6.905 6.252 6.252
203 2HZ LYS 23 1HZ LYS 23 -6.563 4.872 4.872
204 3HZ LYS 23 3HZ LYS 23 -8.170 5.271 5.271
205 H ARG 24 H ARG 24 -9.865 7.647 7.647
206 HA ARG 24 HA ARG 24 -11.657 7.003 7.003
207 1HB ARG 24 2HB ARG 24 -11.178 5.590 5.590
208 2HB ARG 24 1HB ARG 24 -12.220 6.687 6.687
209 1HG ARG 24 2HG ARG 24 -13.417 5.643 5.643
210 2HG ARG 24 1HG ARG 24 -12.966 4.363 4.363
211 1HD ARG 24 2HD ARG 24 -14.892 4.747 4.747
212 2HD ARG 24 1HD ARG 24 -14.320 6.356 6.356
213 HE ARG 24 HE ARG 24 -15.285 7.142 7.142
214 1HH1 ARG 24 2HH1 ARG 24 -15.878 4.307 4.307
215 2HH1 ARG 24 1HH1 ARG 24 -17.574 4.135 4.135
216 1HH2 ARG 24 1HH2 ARG 24 -17.605 7.057 7.057
217 2HH2 ARG 24 2HH2 ARG 24 -18.629 5.814 5.814
218 H GLN 25 H GLN 25 -11.230 9.694 9.694
219 HA GLN 25 HA GLN 25 -14.060 10.612 10.612
220 1HB GLN 25 2HB GLN 25 -11.633 11.492 11.492
221 2HB GLN 25 1HB GLN 25 -12.900 12.652 12.652
222 1HG GLN 25 2HG GLN 25 -14.561 10.916 10.916
223 2HG GLN 25 1HG GLN 25 -13.144 10.037 10.037
224 1HE2 GLN 25 2HE2 GLN 25 -14.265 12.818 12.818
225 2HE2 GLN 25 1HE2 GLN 25 -15.317 11.871 11.871
226 H GLN 26 H GLN 26 -10.749 11.583 11.583
227 HA GLN 26 HA GLN 26 -11.797 13.310 13.310
228 1HB GLN 26 2HB GLN 26 -10.624 14.445 14.445
229 2HB GLN 26 1HB GLN 26 -9.160 13.624 13.624
230 1HG GLN 26 2HG GLN 26 -10.239 14.898 14.898
231 2HG GLN 26 1HG GLN 26 -10.319 16.085 16.085
232 1HE2 GLN 26 2HE2 GLN 26 -6.670 15.787 15.787
233 2HE2 GLN 26 1HE2 GLN 26 -8.048 15.608 15.608
234 1HN NH2 27 1HT GLN 26 -11.704 11.435 11.435
235 2HN NH2 27 2HT GLN 26 -10.191 10.907 10.907
Start of MODEL 15
1 1H GLY 1 1H GLY 1 2.400 0.704 0.704
2 2H GLY 1 3H GLY 1 2.716 1.008 1.008
3 3H GLY 1 2H GLY 1 3.986 0.567 0.567
4 1HA GLY 1 2HA GLY 1 3.614 -1.599 -1.599
5 2HA GLY 1 1HA GLY 1 2.292 -1.133 -1.133
6 H ILE 2 H ILE 2 1.873 -3.414 -3.414
7 HA ILE 2 HA ILE 2 0.760 -2.817 -2.817
8 HB ILE 2 HB ILE 2 -0.402 -5.004 -5.004
9 1HG1 ILE 2 2HG1 ILE 2 0.636 -5.032 -5.032
10 2HG1 ILE 2 1HG1 ILE 2 -1.051 -4.913 -4.913
11 1HG2 ILE 2 1HG2 ILE 2 2.168 -4.691 -4.691
12 2HG2 ILE 2 3HG2 ILE 2 2.387 -5.349 -5.349
13 3HG2 ILE 2 2HG2 ILE 2 1.579 -6.292 -6.292
14 1HD1 ILE 2 1HD1 ILE 2 -0.649 -7.132 -7.132
15 2HD1 ILE 2 3HD1 ILE 2 0.789 -7.287 -7.287
16 3HD1 ILE 2 2HD1 ILE 2 -0.796 -7.204 -7.204
17 H GLY 3 H GLY 3 -0.710 -2.826 -2.826
18 1HA GLY 3 2HA GLY 3 -3.410 -2.596 -2.596
19 2HA GLY 3 1HA GLY 3 -2.587 -1.594 -1.594
20 H ALA 4 H ALA 4 -1.076 -0.253 -0.253
21 HA ALA 4 HA ALA 4 -3.188 1.685 1.685
22 1HB ALA 4 3HB ALA 4 -1.220 2.574 2.574
23 2HB ALA 4 2HB ALA 4 -0.141 2.005 2.005
24 3HB ALA 4 1HB ALA 4 -1.314 3.263 3.263
25 H VAL 5 H VAL 5 -0.283 0.080 0.080
26 HA VAL 5 HA VAL 5 -0.509 0.752 0.752
27 HB VAL 5 HB VAL 5 0.406 -1.961 -1.961
28 1HG1 VAL 5 2HG1 VAL 5 0.794 -0.567 -0.567
29 2HG1 VAL 5 1HG1 VAL 5 2.083 -1.608 -1.608
30 3HG1 VAL 5 3HG1 VAL 5 0.473 -2.252 -2.252
31 1HG2 VAL 5 3HG2 VAL 5 1.566 0.054 0.054
32 2HG2 VAL 5 2HG2 VAL 5 2.668 -0.956 -0.956
33 3HG2 VAL 5 1HG2 VAL 5 2.090 0.555 0.555
34 H LEU 6 H LEU 6 -2.499 -1.432 -1.432
35 HA LEU 6 HA LEU 6 -3.597 -2.595 -2.595
36 1HB LEU 6 2HB LEU 6 -4.657 -2.862 -2.862
37 2HB LEU 6 1HB LEU 6 -5.066 -3.886 -3.886
38 HG LEU 6 HG LEU 6 -2.139 -3.668 -3.668
39 1HD1 LEU 6 2HD1 LEU 6 -4.282 -5.339 -5.339
40 2HD1 LEU 6 1HD1 LEU 6 -2.572 -5.690 -5.690
41 3HD1 LEU 6 3HD1 LEU 6 -3.199 -4.177 -4.177
42 1HD2 LEU 6 1HD2 LEU 6 -3.824 -5.909 -5.909
43 2HD2 LEU 6 3HD2 LEU 6 -2.687 -4.900 -4.900
44 3HD2 LEU 6 2HD2 LEU 6 -2.107 -6.010 -6.010
45 H LYS 7 H LYS 7 -4.450 -0.354 -0.354
46 HA LYS 7 HA LYS 7 -7.072 0.269 0.269
47 1HB LYS 7 2HB LYS 7 -5.206 1.330 1.330
48 2HB LYS 7 1HB LYS 7 -5.322 2.642 2.642
49 1HG LYS 7 2HG LYS 7 -8.025 1.907 1.907
50 2HG LYS 7 1HG LYS 7 -7.283 1.696 1.696
51 1HD LYS 7 2HD LYS 7 -6.259 4.159 4.159
52 2HD LYS 7 1HD LYS 7 -7.621 4.177 4.177
53 1HE LYS 7 2HE LYS 7 -8.250 5.240 5.240
54 2HE LYS 7 1HE LYS 7 -9.192 3.780 3.780
55 1HZ LYS 7 1HZ LYS 7 -6.834 3.049 3.049
56 2HZ LYS 7 3HZ LYS 7 -7.472 4.400 4.400
57 3HZ LYS 7 2HZ LYS 7 -8.430 3.028 3.028
58 H VAL 8 H VAL 8 -4.181 1.536 1.536
59 HA VAL 8 HA VAL 8 -5.231 3.426 3.426
60 HB VAL 8 HB VAL 8 -2.848 1.659 1.659
61 1HG1 VAL 8 2HG1 VAL 8 -3.278 4.669 4.669
62 2HG1 VAL 8 1HG1 VAL 8 -1.845 3.855 3.855
63 3HG1 VAL 8 3HG1 VAL 8 -3.385 3.620 3.620
64 1HG2 VAL 8 1HG2 VAL 8 -3.040 3.374 3.374
65 2HG2 VAL 8 3HG2 VAL 8 -2.234 1.829 1.829
66 3HG2 VAL 8 2HG2 VAL 8 -1.514 3.296 3.296
67 H LEU 9 H LEU 9 -4.936 -0.022 -0.022
68 HA LEU 9 HA LEU 9 -6.028 -0.058 -0.058
69 1HB LEU 9 2HB LEU 9 -5.733 -2.631 -2.631
70 2HB LEU 9 1HB LEU 9 -5.244 -2.217 -2.217
71 HG LEU 9 HG LEU 9 -3.713 -1.294 -1.294
72 1HD1 LEU 9 1HD1 LEU 9 -3.253 -3.692 -3.692
73 2HD1 LEU 9 3HD1 LEU 9 -2.135 -3.078 -3.078
74 3HD1 LEU 9 2HD1 LEU 9 -3.697 -3.706 -3.706
75 1HD2 LEU 9 1HD2 LEU 9 -3.362 0.020 0.020
76 2HD2 LEU 9 3HD2 LEU 9 -1.924 -0.804 -0.804
77 3HD2 LEU 9 2HD2 LEU 9 -2.841 -1.468 -1.468
78 H THR 10 H THR 10 -7.567 0.584 0.584
79 HA THR 10 HA THR 10 -9.769 -1.418 -1.418
80 HB THR 10 HB THR 10 -9.981 0.657 0.657
81 HG1 THR 10 HG1 THR 10 -7.726 -0.884 -0.884
82 1HG2 THR 10 1HG2 THR 10 -10.252 -2.399 -2.399
83 2HG2 THR 10 3HG2 THR 10 -10.491 -1.424 -1.424
84 3HG2 THR 10 2HG2 THR 10 -11.573 -1.242 -1.242
85 H THR 11 H THR 11 -8.834 1.658 1.658
86 HA THR 11 HA THR 11 -11.643 2.472 2.472
87 HB THR 11 HB THR 11 -9.116 4.163 4.163
88 HG1 THR 11 HG1 THR 11 -11.778 4.218 4.218
89 1HG2 THR 11 2HG2 THR 11 -11.839 5.022 5.022
90 2HG2 THR 11 1HG2 THR 11 -10.725 6.128 6.128
91 3HG2 THR 11 3HG2 THR 11 -10.265 5.347 5.347
92 H GLY 12 H GLY 12 -8.323 3.145 3.145
93 1HA GLY 12 2HA GLY 12 -9.082 2.042 2.042
94 2HA GLY 12 1HA GLY 12 -8.511 3.711 3.711
95 H LEU 13 H LEU 13 -6.485 3.867 3.867
96 HA LEU 13 HA LEU 13 -4.401 2.286 2.286
97 1HB LEU 13 2HB LEU 13 -5.324 1.716 1.716
98 2HB LEU 13 1HB LEU 13 -3.594 1.988 1.988
99 HG LEU 13 HG LEU 13 -4.813 0.138 0.138
100 1HD1 LEU 13 3HD1 LEU 13 -5.821 -0.471 -0.471
101 2HD1 LEU 13 2HD1 LEU 13 -4.189 -0.812 -0.812
102 3HD1 LEU 13 1HD1 LEU 13 -4.879 -1.730 -1.730
103 1HD2 LEU 13 3HD2 LEU 13 -2.224 0.109 0.109
104 2HD2 LEU 13 2HD2 LEU 13 -2.385 0.697 0.697
105 3HD2 LEU 13 1HD2 LEU 13 -2.638 -0.998 -0.998
106 HA PRO 14 HA DPR 14 -2.324 6.047 6.047
107 1HB PRO 14 2HB DPR 14 -3.108 7.543 7.543
108 2HB PRO 14 1HB DPR 14 -4.592 7.853 7.853
109 1HG PRO 14 2HG DPR 14 -4.095 5.792 5.792
110 2HG PRO 14 1HG DPR 14 -5.604 6.548 6.548
111 1HD PRO 14 2HD DPR 14 -4.898 3.942 3.942
112 2HD PRO 14 1HD DPR 14 -6.050 4.964 4.964
113 H ALA 15 H ALA 15 -2.096 5.898 5.898
114 HA ALA 15 HA ALA 15 -3.191 8.293 8.293
115 1HB ALA 15 2HB ALA 15 -0.795 8.107 8.107
116 2HB ALA 15 1HB ALA 15 -0.823 6.584 6.584
117 3HB ALA 15 3HB ALA 15 -1.292 8.095 8.095
118 H LEU 16 H LEU 16 -3.392 4.854 4.854
119 HA LEU 16 HA LEU 16 -3.766 4.405 4.405
120 1HB LEU 16 2HB LEU 16 -4.957 3.167 3.167
121 2HB LEU 16 1HB LEU 16 -5.510 2.629 2.629
122 HG LEU 16 HG LEU 16 -3.558 1.317 1.317
123 1HD1 LEU 16 3HD1 LEU 16 -4.189 1.133 1.133
124 2HD1 LEU 16 2HD1 LEU 16 -3.104 2.459 2.459
125 3HD1 LEU 16 1HD1 LEU 16 -2.465 0.949 0.949
126 1HD2 LEU 16 2HD2 LEU 16 -2.136 3.179 3.179
127 2HD2 LEU 16 1HD2 LEU 16 -1.282 2.166 2.166
128 3HD2 LEU 16 3HD2 LEU 16 -1.895 3.714 3.714
129 H ILE 17 H ILE 17 -6.086 5.364 5.364
130 HA ILE 17 HA ILE 17 -8.413 5.537 5.537
131 HB ILE 17 HB ILE 17 -8.289 7.559 7.559
132 1HG1 ILE 17 2HG1 ILE 17 -8.254 5.740 5.740
133 2HG1 ILE 17 1HG1 ILE 17 -7.564 4.653 4.653
134 1HG2 ILE 17 1HG2 ILE 17 -10.367 6.638 6.638
135 2HG2 ILE 17 3HG2 ILE 17 -9.953 5.040 5.040
136 3HG2 ILE 17 2HG2 ILE 17 -10.270 6.365 6.365
137 1HD1 ILE 17 1HD1 ILE 17 -6.052 7.142 7.142
138 2HD1 ILE 17 3HD1 ILE 17 -6.233 6.678 6.678
139 3HD1 ILE 17 2HD1 ILE 17 -5.468 5.586 5.586
140 H SER 18 H SER 18 -5.666 7.478 7.478
141 HA SER 18 HA SER 18 -6.789 9.740 9.740
142 1HB SER 18 2HB SER 18 -5.220 9.836 9.836
143 2HB SER 18 1HB SER 18 -3.954 9.829 9.829
144 HG SER 18 HG SER 18 -5.872 11.717 11.717
145 H TRP 19 H TRP 19 -5.460 6.920 6.920
146 HA TRP 19 HA TRP 19 -3.713 7.910 7.910
147 1HB TRP 19 2HB TRP 19 -3.249 5.872 5.872
148 2HB TRP 19 1HB TRP 19 -3.866 4.928 4.928
149 HD1 TRP 19 HD1 TRP 19 -0.798 6.118 6.118
150 HE1 TRP 19 HE1 TRP 19 1.108 6.288 6.288
151 HE3 TRP 19 HE3 TRP 19 -3.512 5.787 5.787
152 HZ2 TRP 19 HZ2 TRP 19 1.413 6.271 6.271
153 HZ3 TRP 19 HZ3 TRP 19 -2.308 5.860 5.860
154 HH2 TRP 19 HH2 TRP 19 0.150 6.103 6.103
155 H ILE 20 H ILE 20 -6.037 5.253 5.253
156 HA ILE 20 HA ILE 20 -6.653 5.465 5.465
157 HB ILE 20 HB ILE 20 -6.803 3.508 3.508
158 1HG1 ILE 20 2HG1 ILE 20 -6.869 3.096 3.096
159 2HG1 ILE 20 1HG1 ILE 20 -5.406 3.385 3.385
160 1HG2 ILE 20 3HG2 ILE 20 -9.123 3.769 3.769
161 2HG2 ILE 20 2HG2 ILE 20 -8.846 2.329 2.329
162 3HG2 ILE 20 1HG2 ILE 20 -9.240 3.863 3.863
163 1HD1 ILE 20 1HD1 ILE 20 -6.070 1.380 1.380
164 2HD1 ILE 20 3HD1 ILE 20 -7.288 1.015 1.015
165 3HD1 ILE 20 2HD1 ILE 20 -5.594 1.014 1.014
166 H LYS 21 H LYS 21 -8.446 5.972 5.972
167 HA LYS 21 HA LYS 21 -10.864 6.619 6.619
168 1HB LYS 21 2HB LYS 21 -9.991 6.611 6.611
169 2HB LYS 21 1HB LYS 21 -10.951 8.030 8.030
170 1HG LYS 21 2HG LYS 21 -12.868 6.783 6.783
171 2HG LYS 21 1HG LYS 21 -11.958 5.387 5.387
172 1HD LYS 21 2HD LYS 21 -11.329 4.825 4.825
173 2HD LYS 21 1HD LYS 21 -12.142 6.242 6.242
174 1HE LYS 21 2HE LYS 21 -13.746 4.268 4.268
175 2HE LYS 21 1HE LYS 21 -13.321 3.797 3.797
176 1HZ LYS 21 3HZ LYS 21 -14.299 6.432 6.432
177 2HZ LYS 21 2HZ LYS 21 -15.376 5.529 5.529
178 3HZ LYS 21 1HZ LYS 21 -15.008 5.026 5.026
179 H ARG 22 H ARG 22 -7.956 8.263 8.263
180 HA ARG 22 HA ARG 22 -9.061 10.953 10.953
181 1HB ARG 22 2HB ARG 22 -7.084 10.320 10.320
182 2HB ARG 22 1HB ARG 22 -6.159 10.005 10.005
183 1HG ARG 22 2HG ARG 22 -6.462 12.430 12.430
184 2HG ARG 22 1HG ARG 22 -7.345 12.723 12.723
185 1HD ARG 22 2HD ARG 22 -5.421 11.831 11.831
186 2HD ARG 22 1HD ARG 22 -4.474 11.642 11.642
187 HE ARG 22 HE ARG 22 -4.714 14.169 14.169
188 1HH1 ARG 22 1HH2 ARG 22 -4.220 12.406 12.406
189 2HH1 ARG 22 2HH2 ARG 22 -3.826 13.787 13.787
190 1HH2 ARG 22 2HH1 ARG 22 -4.500 16.070 16.070
191 2HH2 ARG 22 1HH1 ARG 22 -4.038 15.909 15.909
192 H LYS 23 H LYS 23 -7.883 8.245 8.245
193 HA LYS 23 HA LYS 23 -7.317 9.700 9.700
194 1HB LYS 23 2HB LYS 23 -6.007 7.621 7.621
195 2HB LYS 23 1HB LYS 23 -7.345 6.662 6.662
196 1HG LYS 23 2HG LYS 23 -6.324 8.559 8.559
197 2HG LYS 23 1HG LYS 23 -5.049 7.560 7.560
198 1HD LYS 23 2HD LYS 23 -5.895 6.343 6.343
199 2HD LYS 23 1HD LYS 23 -6.531 5.516 5.516
200 1HE LYS 23 2HE LYS 23 -8.722 6.415 6.415
201 2HE LYS 23 1HE LYS 23 -8.162 7.725 7.725
202 1HZ LYS 23 2HZ LYS 23 -7.539 5.278 5.278
203 2HZ LYS 23 1HZ LYS 23 -9.173 5.264 5.264
204 3HZ LYS 23 3HZ LYS 23 -8.565 6.535 6.535
205 H ARG 24 H ARG 24 -9.720 7.599 7.599
206 HA ARG 24 HA ARG 24 -11.278 7.415 7.415
207 1HB ARG 24 2HB ARG 24 -11.069 5.635 5.635
208 2HB ARG 24 1HB ARG 24 -12.127 6.639 6.639
209 1HG ARG 24 2HG ARG 24 -13.182 6.202 6.202
210 2HG ARG 24 1HG ARG 24 -12.908 4.699 4.699
211 1HD ARG 24 2HD ARG 24 -14.347 5.465 5.465
212 2HD ARG 24 1HD ARG 24 -14.476 7.065 7.065
213 HE ARG 24 HE ARG 24 -15.762 6.055 6.055
214 1HH1 ARG 24 2HH1 ARG 24 -14.890 3.354 3.354
215 2HH1 ARG 24 1HH1 ARG 24 -16.152 2.474 2.474
216 1HH2 ARG 24 1HH2 ARG 24 -17.469 5.536 5.536
217 2HH2 ARG 24 2HH2 ARG 24 -17.746 3.836 3.836
218 H GLN 25 H GLN 25 -11.042 9.671 9.671
219 HA GLN 25 HA GLN 25 -13.795 10.722 10.722
220 1HB GLN 25 2HB GLN 25 -11.714 11.296 11.296
221 2HB GLN 25 1HB GLN 25 -13.153 12.275 12.275
222 1HG GLN 25 2HG GLN 25 -14.601 10.260 10.260
223 2HG GLN 25 1HG GLN 25 -13.176 9.257 9.257
224 1HE2 GLN 25 2HE2 GLN 25 -12.613 10.463 10.463
225 2HE2 GLN 25 1HE2 GLN 25 -11.847 9.736 9.736
226 H GLN 26 H GLN 26 -11.110 10.976 10.976
227 HA GLN 26 HA GLN 26 -11.367 13.908 13.908
228 1HB GLN 26 2HB GLN 26 -9.109 12.861 12.861
229 2HB GLN 26 1HB GLN 26 -8.864 12.315 12.315
230 1HG GLN 26 2HG GLN 26 -9.176 14.754 14.754
231 2HG GLN 26 1HG GLN 26 -9.239 15.214 15.214
232 1HE2 GLN 26 2HE2 GLN 26 -5.676 13.841 13.841
233 2HE2 GLN 26 1HE2 GLN 26 -7.119 13.124 13.124
234 1HN NH2 27 1HT GLN 26 -11.590 14.441 14.441
235 2HN NH2 27 2HT GLN 26 -11.767 13.214 13.214
Start of MODEL 16
1 1H GLY 1 2H GLY 1 5.043 3.849 3.849
2 2H GLY 1 1H GLY 1 5.523 3.869 3.869
3 3H GLY 1 3H GLY 1 6.625 3.402 3.402
4 1HA GLY 1 2HA GLY 1 5.955 1.277 1.277
5 2HA GLY 1 1HA GLY 1 4.781 1.768 1.768
6 H ILE 2 H ILE 2 3.710 -0.105 -0.105
7 HA ILE 2 HA ILE 2 2.239 1.456 1.456
8 HB ILE 2 HB ILE 2 1.683 -0.935 -0.935
9 1HG1 ILE 2 2HG1 ILE 2 4.330 -1.572 -1.572
10 2HG1 ILE 2 1HG1 ILE 2 2.753 -2.005 -2.005
11 1HG2 ILE 2 3HG2 ILE 2 3.119 0.709 0.709
12 2HG2 ILE 2 2HG2 ILE 2 4.516 0.221 0.221
13 3HG2 ILE 2 1HG2 ILE 2 3.778 -0.903 -0.903
14 1HD1 ILE 2 3HD1 ILE 2 3.426 -2.890 -2.890
15 2HD1 ILE 2 2HD1 ILE 2 4.085 -3.767 -3.767
16 3HD1 ILE 2 1HD1 ILE 2 2.350 -3.612 -3.612
17 H GLY 3 H GLY 3 0.922 2.215 2.215
18 1HA GLY 3 2HA GLY 3 -1.079 0.232 0.232
19 2HA GLY 3 1HA GLY 3 -0.934 1.914 1.914
20 H ALA 4 H ALA 4 -2.145 3.458 3.458
21 HA ALA 4 HA ALA 4 -4.436 3.085 3.085
22 1HB ALA 4 1HB ALA 4 -3.500 5.332 5.332
23 2HB ALA 4 3HB ALA 4 -2.418 5.252 5.252
24 3HB ALA 4 2HB ALA 4 -4.151 5.315 5.315
25 H VAL 5 H VAL 5 -1.348 3.214 3.214
26 HA VAL 5 HA VAL 5 -1.655 3.153 3.153
27 HB VAL 5 HB VAL 5 0.275 1.215 1.215
28 1HG1 VAL 5 3HG1 VAL 5 0.155 1.702 1.702
29 2HG1 VAL 5 2HG1 VAL 5 0.873 3.253 3.253
30 3HG1 VAL 5 1HG1 VAL 5 1.723 1.769 1.769
31 1HG2 VAL 5 2HG2 VAL 5 0.277 4.256 4.256
32 2HG2 VAL 5 1HG2 VAL 5 0.586 3.078 3.078
33 3HG2 VAL 5 3HG2 VAL 5 1.786 3.366 3.366
34 H LEU 6 H LEU 6 -2.510 0.477 0.477
35 HA LEU 6 HA LEU 6 -2.707 -1.368 -1.368
36 1HB LEU 6 2HB LEU 6 -3.550 -1.875 -1.875
37 2HB LEU 6 1HB LEU 6 -3.188 -3.065 -3.065
38 HG LEU 6 HG LEU 6 -1.156 -1.116 -1.116
39 1HD1 LEU 6 3HD1 LEU 6 -1.918 -2.994 -2.994
40 2HD1 LEU 6 2HD1 LEU 6 -1.337 -4.138 -4.138
41 3HD1 LEU 6 1HD1 LEU 6 -0.219 -3.056 -3.056
42 1HD2 LEU 6 1HD2 LEU 6 -0.905 -3.130 -3.130
43 2HD2 LEU 6 3HD2 LEU 6 -0.267 -1.495 -1.495
44 3HD2 LEU 6 2HD2 LEU 6 0.478 -2.784 -2.784
45 H LYS 7 H LYS 7 -4.760 0.856 0.856
46 HA LYS 7 HA LYS 7 -7.185 -0.699 -0.699
47 1HB LYS 7 2HB LYS 7 -6.753 0.934 0.934
48 2HB LYS 7 1HB LYS 7 -7.521 2.059 2.059
49 1HG LYS 7 2HG LYS 7 -9.313 1.028 1.028
50 2HG LYS 7 1HG LYS 7 -9.353 0.328 0.328
51 1HD LYS 7 2HD LYS 7 -8.072 -1.665 -1.665
52 2HD LYS 7 1HD LYS 7 -8.018 -0.939 -0.939
53 1HE LYS 7 2HE LYS 7 -10.501 -1.014 -1.014
54 2HE LYS 7 1HE LYS 7 -10.570 -1.688 -1.688
55 1HZ LYS 7 2HZ LYS 7 -8.795 -3.239 -3.239
56 2HZ LYS 7 1HZ LYS 7 -10.238 -3.066 -3.066
57 3HZ LYS 7 3HZ LYS 7 -10.280 -3.712 -3.712
58 H VAL 8 H VAL 8 -5.202 1.958 1.958
59 HA VAL 8 HA VAL 8 -6.982 3.319 3.319
60 HB VAL 8 HB VAL 8 -4.018 3.104 3.104
61 1HG1 VAL 8 3HG1 VAL 8 -5.665 4.709 4.709
62 2HG1 VAL 8 2HG1 VAL 8 -5.824 5.539 5.539
63 3HG1 VAL 8 1HG1 VAL 8 -4.273 5.503 5.503
64 1HG2 VAL 8 1HG2 VAL 8 -5.138 4.227 4.227
65 2HG2 VAL 8 3HG2 VAL 8 -3.755 3.168 3.168
66 3HG2 VAL 8 2HG2 VAL 8 -3.647 4.850 4.850
67 H LEU 9 H LEU 9 -4.989 0.529 0.529
68 HA LEU 9 HA LEU 9 -5.320 0.115 0.115
69 1HB LEU 9 2HB LEU 9 -4.833 -2.231 -2.231
70 2HB LEU 9 1HB LEU 9 -4.074 -1.835 -1.835
71 HG LEU 9 HG LEU 9 -3.483 -0.428 -0.428
72 1HD1 LEU 9 2HD1 LEU 9 -1.904 -2.474 -2.474
73 2HD1 LEU 9 1HD1 LEU 9 -1.339 -1.596 -1.596
74 3HD1 LEU 9 3HD1 LEU 9 -2.687 -2.709 -2.709
75 1HD2 LEU 9 1HD2 LEU 9 -2.236 -0.129 -0.129
76 2HD2 LEU 9 3HD2 LEU 9 -3.090 1.106 1.106
77 3HD2 LEU 9 2HD2 LEU 9 -1.546 0.518 0.518
78 H THR 10 H THR 10 -7.480 -0.021 -0.021
79 HA THR 10 HA THR 10 -9.106 -2.204 -2.204
80 HB THR 10 HB THR 10 -10.028 -0.730 -0.730
81 HG1 THR 10 HG1 THR 10 -7.573 -1.938 -1.938
82 1HG2 THR 10 3HG2 THR 10 -9.696 -3.704 -3.704
83 2HG2 THR 10 2HG2 THR 10 -10.525 -3.056 -3.056
84 3HG2 THR 10 1HG2 THR 10 -11.195 -2.805 -2.805
85 H THR 11 H THR 11 -8.575 1.031 1.031
86 HA THR 11 HA THR 11 -11.423 1.552 1.552
87 HB THR 11 HB THR 11 -9.480 3.840 3.840
88 HG1 THR 11 HG1 THR 11 -10.158 1.848 1.848
89 1HG2 THR 11 3HG2 THR 11 -11.933 4.213 4.213
90 2HG2 THR 11 2HG2 THR 11 -12.432 3.377 3.377
91 3HG2 THR 11 1HG2 THR 11 -11.543 4.888 4.888
92 H GLY 12 H GLY 12 -8.007 2.233 2.233
93 1HA GLY 12 2HA GLY 12 -8.857 2.405 2.405
94 2HA GLY 12 1HA GLY 12 -7.686 3.538 3.538
95 H LEU 13 H LEU 13 -5.720 2.988 2.988
96 HA LEU 13 HA LEU 13 -4.378 0.571 0.571
97 1HB LEU 13 2HB LEU 13 -5.633 0.731 0.731
98 2HB LEU 13 1HB LEU 13 -3.906 0.442 0.442
99 HG LEU 13 HG LEU 13 -5.383 -1.246 -1.246
100 1HD1 LEU 13 3HD1 LEU 13 -5.851 -1.558 -1.558
101 2HD1 LEU 13 2HD1 LEU 13 -6.310 -2.719 -2.719
102 3HD1 LEU 13 1HD1 LEU 13 -7.052 -1.133 -1.133
103 1HD2 LEU 13 1HD2 LEU 13 -2.914 -1.461 -1.461
104 2HD2 LEU 13 3HD2 LEU 13 -3.860 -2.930 -2.930
105 3HD2 LEU 13 2HD2 LEU 13 -3.498 -2.062 -2.062
106 HA PRO 14 HA DPR 14 -1.246 3.643 3.643
107 1HB PRO 14 2HB DPR 14 -1.483 5.029 5.029
108 2HB PRO 14 1HB DPR 14 -3.133 5.489 5.489
109 1HG PRO 14 2HG DPR 14 -2.178 2.872 2.872
110 2HG PRO 14 1HG DPR 14 -3.549 3.873 3.873
111 1HD PRO 14 2HD DPR 14 -3.941 1.727 1.727
112 2HD PRO 14 1HD DPR 14 -4.869 3.215 3.215
113 H ALA 15 H ALA 15 -1.477 3.947 3.947
114 HA ALA 15 HA ALA 15 -2.209 6.785 6.785
115 1HB ALA 15 1HB ALA 15 0.135 5.784 5.784
116 2HB ALA 15 3HB ALA 15 -0.601 5.017 5.017
117 3HB ALA 15 2HB ALA 15 -0.596 6.766 6.766
118 H LEU 16 H LEU 16 -3.163 3.552 3.552
119 HA LEU 16 HA LEU 16 -4.190 3.707 3.707
120 1HB LEU 16 2HB LEU 16 -5.030 2.406 2.406
121 2HB LEU 16 1HB LEU 16 -6.237 2.398 2.398
122 HG LEU 16 HG LEU 16 -4.644 0.446 0.446
123 1HD1 LEU 16 2HD1 LEU 16 -5.191 2.075 2.075
124 2HD1 LEU 16 1HD1 LEU 16 -4.261 0.589 0.589
125 3HD1 LEU 16 3HD1 LEU 16 -5.888 0.546 0.546
126 1HD2 LEU 16 2HD2 LEU 16 -2.517 1.730 1.730
127 2HD2 LEU 16 1HD2 LEU 16 -2.427 0.561 0.561
128 3HD2 LEU 16 3HD2 LEU 16 -2.584 2.264 2.264
129 H ILE 17 H ILE 17 -5.841 5.098 5.098
130 HA ILE 17 HA ILE 17 -8.214 5.827 5.827
131 HB ILE 17 HB ILE 17 -7.796 7.907 7.907
132 1HG1 ILE 17 2HG1 ILE 17 -7.010 6.839 6.839
133 2HG1 ILE 17 1HG1 ILE 17 -6.440 5.459 5.459
134 1HG2 ILE 17 2HG2 ILE 17 -9.809 6.560 6.560
135 2HG2 ILE 17 1HG2 ILE 17 -8.988 5.181 5.181
136 3HG2 ILE 17 3HG2 ILE 17 -9.286 6.637 6.637
137 1HD1 ILE 17 3HD1 ILE 17 -5.561 8.221 8.221
138 2HD1 ILE 17 2HD1 ILE 17 -4.873 7.578 7.578
139 3HD1 ILE 17 1HD1 ILE 17 -4.666 6.701 6.701
140 H SER 18 H SER 18 -5.096 7.373 7.373
141 HA SER 18 HA SER 18 -6.045 9.647 9.647
142 1HB SER 18 2HB SER 18 -3.475 9.075 9.075
143 2HB SER 18 1HB SER 18 -3.487 10.327 10.327
144 HG SER 18 HG SER 18 -4.437 10.590 10.590
145 H TRP 19 H TRP 19 -5.287 6.659 6.659
146 HA TRP 19 HA TRP 19 -3.695 7.263 7.263
147 1HB TRP 19 2HB TRP 19 -3.292 5.242 5.242
148 2HB TRP 19 1HB TRP 19 -4.413 4.392 4.392
149 HD1 TRP 19 HD1 TRP 19 -0.976 4.338 4.338
150 HE1 TRP 19 HE1 TRP 19 0.464 3.783 3.783
151 HE3 TRP 19 HE3 TRP 19 -4.362 5.315 5.315
152 HZ2 TRP 19 HZ2 TRP 19 0.211 3.772 3.772
153 HZ3 TRP 19 HZ3 TRP 19 -3.677 4.998 4.998
154 HH2 TRP 19 HH2 TRP 19 -1.390 4.225 4.225
155 H ILE 20 H ILE 20 -6.380 4.976 4.976
156 HA ILE 20 HA ILE 20 -7.298 5.516 5.516
157 HB ILE 20 HB ILE 20 -7.610 3.426 3.426
158 1HG1 ILE 20 2HG1 ILE 20 -7.658 3.256 3.256
159 2HG1 ILE 20 1HG1 ILE 20 -6.196 3.177 3.177
160 1HG2 ILE 20 2HG2 ILE 20 -9.830 4.207 4.207
161 2HG2 ILE 20 1HG2 ILE 20 -9.740 2.621 2.621
162 3HG2 ILE 20 3HG2 ILE 20 -9.860 4.090 4.090
163 1HD1 ILE 20 1HD1 ILE 20 -7.232 1.174 1.174
164 2HD1 ILE 20 3HD1 ILE 20 -8.485 1.177 1.177
165 3HD1 ILE 20 2HD1 ILE 20 -6.814 0.895 0.895
166 H LYS 21 H LYS 21 -8.405 6.043 6.043
167 HA LYS 21 HA LYS 21 -10.977 7.035 7.035
168 1HB LYS 21 2HB LYS 21 -9.671 6.634 6.634
169 2HB LYS 21 1HB LYS 21 -10.219 8.288 8.288
170 1HG LYS 21 2HG LYS 21 -12.433 6.911 6.911
171 2HG LYS 21 1HG LYS 21 -11.776 5.743 5.743
172 1HD LYS 21 2HD LYS 21 -11.714 7.611 7.611
173 2HD LYS 21 1HD LYS 21 -12.522 8.640 8.640
174 1HE LYS 21 2HE LYS 21 -14.574 7.801 7.801
175 2HE LYS 21 1HE LYS 21 -14.055 6.157 6.157
176 1HZ LYS 21 1HZ LYS 21 -12.940 6.985 6.985
177 2HZ LYS 21 3HZ LYS 21 -14.576 7.392 7.392
178 3HZ LYS 21 2HZ LYS 21 -14.088 5.789 5.789
179 H ARG 22 H ARG 22 -7.797 8.394 8.394
180 HA ARG 22 HA ARG 22 -8.627 11.174 11.174
181 1HB ARG 22 2HB ARG 22 -6.356 10.583 10.583
182 2HB ARG 22 1HB ARG 22 -6.026 9.734 9.734
183 1HG ARG 22 2HG ARG 22 -6.071 11.851 11.851
184 2HG ARG 22 1HG ARG 22 -6.714 12.719 12.719
185 1HD ARG 22 2HD ARG 22 -4.557 13.299 13.299
186 2HD ARG 22 1HD ARG 22 -4.286 11.628 11.628
187 HE ARG 22 HE ARG 22 -3.901 12.551 12.551
188 1HH1 ARG 22 1HH2 ARG 22 -3.491 9.805 9.805
189 2HH1 ARG 22 2HH2 ARG 22 -1.791 9.656 9.656
190 1HH2 ARG 22 2HH1 ARG 22 -1.436 13.116 13.116
191 2HH2 ARG 22 1HH1 ARG 22 -0.530 11.691 11.691
192 H LYS 23 H LYS 23 -7.362 8.926 8.926
193 HA LYS 23 HA LYS 23 -7.736 10.386 10.386
194 1HB LYS 23 2HB LYS 23 -6.679 8.014 8.014
195 2HB LYS 23 1HB LYS 23 -8.288 7.371 7.371
196 1HG LYS 23 2HG LYS 23 -7.095 9.227 9.227
197 2HG LYS 23 1HG LYS 23 -6.708 7.531 7.531
198 1HD LYS 23 2HD LYS 23 -9.556 8.654 8.654
199 2HD LYS 23 1HD LYS 23 -8.572 8.136 8.136
200 1HE LYS 23 2HE LYS 23 -8.417 5.819 5.819
201 2HE LYS 23 1HE LYS 23 -9.614 6.361 6.361
202 1HZ LYS 23 3HZ LYS 23 -10.554 6.962 6.962
203 2HZ LYS 23 2HZ LYS 23 -10.081 5.335 5.335
204 3HZ LYS 23 1HZ LYS 23 -11.216 5.902 5.902
205 H ARG 24 H ARG 24 -9.964 8.135 8.135
206 HA ARG 24 HA ARG 24 -12.147 8.435 8.435
207 1HB ARG 24 2HB ARG 24 -11.655 7.180 7.180
208 2HB ARG 24 1HB ARG 24 -12.902 8.330 8.330
209 1HG ARG 24 2HG ARG 24 -13.787 7.198 7.198
210 2HG ARG 24 1HG ARG 24 -13.027 5.855 5.855
211 1HD ARG 24 2HD ARG 24 -14.946 5.629 5.629
212 2HD ARG 24 1HD ARG 24 -14.571 7.119 7.119
213 HE ARG 24 HE ARG 24 -15.839 8.349 8.349
214 1HH1 ARG 24 1HH2 ARG 24 -16.510 7.180 7.180
215 2HH1 ARG 24 2HH2 ARG 24 -17.839 6.107 6.107
216 1HH2 ARG 24 2HH1 ARG 24 -17.302 6.082 6.082
217 2HH2 ARG 24 1HH1 ARG 24 -18.318 5.412 5.412
218 H GLN 25 H GLN 25 -11.025 10.861 10.861
219 HA GLN 25 HA GLN 25 -13.583 12.344 12.344
220 1HB GLN 25 2HB GLN 25 -11.353 12.187 12.187
221 2HB GLN 25 1HB GLN 25 -11.814 13.836 13.836
222 1HG GLN 25 2HG GLN 25 -14.063 11.886 11.886
223 2HG GLN 25 1HG GLN 25 -13.059 12.310 12.310
224 1HE2 GLN 25 2HE2 GLN 25 -14.554 15.708 15.708
225 2HE2 GLN 25 1HE2 GLN 25 -13.549 14.705 14.705
226 H GLN 26 H GLN 26 -10.961 12.095 12.095
227 HA GLN 26 HA GLN 26 -11.063 14.988 14.988
228 1HB GLN 26 2HB GLN 26 -8.733 13.016 13.016
229 2HB GLN 26 1HB GLN 26 -8.683 14.547 14.547
230 1HG GLN 26 2HG GLN 26 -9.365 15.555 15.555
231 2HG GLN 26 1HG GLN 26 -8.686 14.043 14.043
232 1HE2 GLN 26 2HE2 GLN 26 -6.124 16.886 16.886
233 2HE2 GLN 26 1HE2 GLN 26 -7.771 17.214 17.214
234 1HN NH2 27 1HT GLN 26 -10.198 15.157 15.157
235 2HN NH2 27 2HT GLN 26 -10.966 14.097 14.097
Start of MODEL 17
1 1H GLY 1 2H GLY 1 2.168 -5.469 -5.469
2 2H GLY 1 1H GLY 1 3.671 -5.212 -5.212
3 3H GLY 1 3H GLY 1 2.700 -6.533 -6.533
4 1HA GLY 1 2HA GLY 1 1.645 -5.265 -5.265
5 2HA GLY 1 1HA GLY 1 2.655 -3.885 -3.885
6 H ILE 2 H ILE 2 0.030 -3.270 -3.270
7 HA ILE 2 HA ILE 2 -1.143 -2.878 -2.878
8 HB ILE 2 HB ILE 2 -3.395 -3.035 -3.035
9 1HG1 ILE 2 2HG1 ILE 2 -1.886 -4.359 -4.359
10 2HG1 ILE 2 1HG1 ILE 2 -2.327 -2.669 -2.669
11 1HG2 ILE 2 1HG2 ILE 2 -2.233 -4.960 -4.960
12 2HG2 ILE 2 3HG2 ILE 2 -1.790 -5.594 -5.594
13 3HG2 ILE 2 2HG2 ILE 2 -3.479 -5.426 -5.426
14 1HD1 ILE 2 1HD1 ILE 2 -4.741 -3.330 -3.330
15 2HD1 ILE 2 3HD1 ILE 2 -4.241 -5.013 -5.013
16 3HD1 ILE 2 2HD1 ILE 2 -4.048 -4.008 -4.008
17 H GLY 3 H GLY 3 -3.199 -1.410 -1.410
18 1HA GLY 3 2HA GLY 3 -3.422 0.788 0.788
19 2HA GLY 3 1HA GLY 3 -1.675 1.007 1.007
20 H ALA 4 H ALA 4 -0.971 1.054 1.054
21 HA ALA 4 HA ALA 4 -2.722 2.866 2.866
22 1HB ALA 4 1HB ALA 4 0.286 2.461 2.461
23 2HB ALA 4 3HB ALA 4 -0.428 3.241 3.241
24 3HB ALA 4 2HB ALA 4 -0.636 3.941 3.941
25 H VAL 5 H VAL 5 -0.482 0.208 0.208
26 HA VAL 5 HA VAL 5 -0.654 -0.504 -0.504
27 HB VAL 5 HB VAL 5 -1.001 -2.716 -2.716
28 1HG1 VAL 5 2HG1 VAL 5 -0.567 -3.191 -3.191
29 2HG1 VAL 5 1HG1 VAL 5 1.031 -2.497 -2.497
30 3HG1 VAL 5 3HG1 VAL 5 0.557 -3.929 -3.929
31 1HG2 VAL 5 2HG2 VAL 5 1.354 -0.783 -0.783
32 2HG2 VAL 5 1HG2 VAL 5 0.565 -1.349 -1.349
33 3HG2 VAL 5 3HG2 VAL 5 1.597 -2.423 -2.423
34 H LEU 6 H LEU 6 -3.289 -1.046 -1.046
35 HA LEU 6 HA LEU 6 -4.755 -2.537 -2.537
36 1HB LEU 6 2HB LEU 6 -6.414 -2.931 -2.931
37 2HB LEU 6 1HB LEU 6 -4.886 -3.144 -3.144
38 HG LEU 6 HG LEU 6 -6.533 -0.627 -0.627
39 1HD1 LEU 6 2HD1 LEU 6 -6.359 -2.865 -2.865
40 2HD1 LEU 6 1HD1 LEU 6 -7.178 -1.337 -1.337
41 3HD1 LEU 6 3HD1 LEU 6 -7.767 -2.433 -2.433
42 1HD2 LEU 6 2HD2 LEU 6 -3.964 -1.444 -1.444
43 2HD2 LEU 6 1HD2 LEU 6 -4.405 0.129 0.129
44 3HD2 LEU 6 3HD2 LEU 6 -5.056 -0.388 -0.388
45 H LYS 7 H LYS 7 -4.785 0.657 0.657
46 HA LYS 7 HA LYS 7 -7.185 1.726 1.726
47 1HB LYS 7 2HB LYS 7 -4.483 3.101 3.101
48 2HB LYS 7 1HB LYS 7 -5.992 3.945 3.945
49 1HG LYS 7 2HG LYS 7 -6.148 2.008 2.008
50 2HG LYS 7 1HG LYS 7 -4.839 3.130 3.130
51 1HD LYS 7 2HD LYS 7 -6.484 4.355 4.355
52 2HD LYS 7 1HD LYS 7 -6.626 4.987 4.987
53 1HE LYS 7 2HE LYS 7 -8.454 3.269 3.269
54 2HE LYS 7 1HE LYS 7 -8.333 2.767 2.767
55 1HZ LYS 7 2HZ LYS 7 -8.631 5.569 5.569
56 2HZ LYS 7 1HZ LYS 7 -9.784 4.904 4.904
57 3HZ LYS 7 3HZ LYS 7 -9.718 4.414 4.414
58 H VAL 8 H VAL 8 -4.013 1.344 1.344
59 HA VAL 8 HA VAL 8 -4.144 2.559 2.559
60 HB VAL 8 HB VAL 8 -2.757 -0.050 -0.050
61 1HG1 VAL 8 1HG1 VAL 8 -2.819 0.406 0.406
62 2HG1 VAL 8 3HG1 VAL 8 -1.781 1.792 1.792
63 3HG1 VAL 8 2HG1 VAL 8 -1.249 0.170 0.170
64 1HG2 VAL 8 1HG2 VAL 8 -2.178 1.979 1.979
65 2HG2 VAL 8 3HG2 VAL 8 -0.805 1.360 1.360
66 3HG2 VAL 8 2HG2 VAL 8 -1.640 2.798 2.798
67 H LEU 9 H LEU 9 -5.161 -0.626 -0.626
68 HA LEU 9 HA LEU 9 -6.292 -1.246 -1.246
69 1HB LEU 9 2HB LEU 9 -6.672 -3.055 -3.055
70 2HB LEU 9 1HB LEU 9 -6.373 -3.466 -3.466
71 HG LEU 9 HG LEU 9 -4.289 -2.213 -2.213
72 1HD1 LEU 9 1HD1 LEU 9 -4.896 -4.446 -4.446
73 2HD1 LEU 9 3HD1 LEU 9 -4.576 -5.100 -5.100
74 3HD1 LEU 9 2HD1 LEU 9 -3.266 -4.411 -4.411
75 1HD2 LEU 9 3HD2 LEU 9 -4.040 -3.443 -3.443
76 2HD2 LEU 9 2HD2 LEU 9 -3.844 -1.743 -1.743
77 3HD2 LEU 9 1HD2 LEU 9 -2.687 -2.917 -2.917
78 H THR 10 H THR 10 -7.535 0.602 0.602
79 HA THR 10 HA THR 10 -10.320 -0.506 -0.506
80 HB THR 10 HB THR 10 -10.386 1.459 1.459
81 HG1 THR 10 HG1 THR 10 -8.078 -0.218 -0.218
82 1HG2 THR 10 1HG2 THR 10 -10.211 -1.608 -1.608
83 2HG2 THR 10 3HG2 THR 10 -10.470 -0.629 -0.629
84 3HG2 THR 10 2HG2 THR 10 -11.666 -0.635 -0.635
85 H THR 11 H THR 11 -8.221 2.288 2.288
86 HA THR 11 HA THR 11 -10.451 3.949 3.949
87 HB THR 11 HB THR 11 -8.631 4.653 4.653
88 HG1 THR 11 HG1 THR 11 -9.331 5.809 5.809
89 1HG2 THR 11 3HG2 THR 11 -6.668 3.773 3.773
90 2HG2 THR 11 2HG2 THR 11 -6.980 5.169 5.169
91 3HG2 THR 11 1HG2 THR 11 -6.518 5.396 5.396
92 H GLY 12 H GLY 12 -8.148 1.885 1.885
93 1HA GLY 12 2HA GLY 12 -8.754 1.449 1.449
94 2HA GLY 12 1HA GLY 12 -8.133 3.077 3.077
95 H LEU 13 H LEU 13 -5.966 3.444 3.444
96 HA LEU 13 HA LEU 13 -3.960 1.603 1.603
97 1HB LEU 13 2HB LEU 13 -4.921 1.321 1.321
98 2HB LEU 13 1HB LEU 13 -3.194 1.645 1.645
99 HG LEU 13 HG LEU 13 -4.320 -0.424 -0.424
100 1HD1 LEU 13 2HD1 LEU 13 -4.031 -0.785 -0.785
101 2HD1 LEU 13 1HD1 LEU 13 -3.925 -2.133 -2.133
102 3HD1 LEU 13 3HD1 LEU 13 -5.396 -1.191 -1.191
103 1HD2 LEU 13 3HD2 LEU 13 -1.837 0.399 0.399
104 2HD2 LEU 13 2HD2 LEU 13 -2.140 -1.323 -1.323
105 3HD2 LEU 13 1HD2 LEU 13 -1.787 -0.553 -0.553
106 HA PRO 14 HA DPR 14 -1.915 5.546 5.546
107 1HB PRO 14 2HB DPR 14 -2.945 6.823 6.823
108 2HB PRO 14 1HB DPR 14 -4.569 6.450 6.450
109 1HG PRO 14 2HG DPR 14 -2.612 4.554 4.554
110 2HG PRO 14 1HG DPR 14 -4.298 4.853 4.853
111 1HD PRO 14 2HD DPR 14 -3.574 2.760 2.760
112 2HD PRO 14 1HD DPR 14 -5.093 3.610 3.610
113 H ALA 15 H ALA 15 -1.972 5.736 5.736
114 HA ALA 15 HA ALA 15 -3.520 8.164 8.164
115 1HB ALA 15 2HB ALA 15 -1.063 8.265 8.265
116 2HB ALA 15 1HB ALA 15 -1.096 6.975 6.975
117 3HB ALA 15 3HB ALA 15 -1.853 8.529 8.529
118 H LEU 16 H LEU 16 -3.502 4.796 4.796
119 HA LEU 16 HA LEU 16 -4.067 4.642 4.642
120 1HB LEU 16 2HB LEU 16 -5.034 3.203 3.203
121 2HB LEU 16 1HB LEU 16 -5.938 2.914 2.914
122 HG LEU 16 HG LEU 16 -3.929 1.389 1.389
123 1HD1 LEU 16 1HD1 LEU 16 -4.506 2.738 2.738
124 2HD1 LEU 16 3HD1 LEU 16 -3.210 1.558 1.558
125 3HD1 LEU 16 2HD1 LEU 16 -4.843 1.091 1.091
126 1HD2 LEU 16 1HD2 LEU 16 -2.258 3.187 3.187
127 2HD2 LEU 16 3HD2 LEU 16 -1.706 2.051 2.051
128 3HD2 LEU 16 2HD2 LEU 16 -2.231 3.645 3.645
129 H ILE 17 H ILE 17 -6.371 5.658 5.658
130 HA ILE 17 HA ILE 17 -8.677 5.845 5.845
131 HB ILE 17 HB ILE 17 -8.407 8.078 8.078
132 1HG1 ILE 17 2HG1 ILE 17 -8.637 6.319 6.319
133 2HG1 ILE 17 1HG1 ILE 17 -7.922 5.177 5.177
134 1HG2 ILE 17 3HG2 ILE 17 -10.545 7.244 7.244
135 2HG2 ILE 17 2HG2 ILE 17 -10.341 5.743 5.743
136 3HG2 ILE 17 1HG2 ILE 17 -10.536 7.266 7.266
137 1HD1 ILE 17 3HD1 ILE 17 -6.265 7.524 7.524
138 2HD1 ILE 17 2HD1 ILE 17 -6.645 7.322 7.322
139 3HD1 ILE 17 1HD1 ILE 17 -5.869 6.026 6.026
140 H SER 18 H SER 18 -5.974 8.027 8.027
141 HA SER 18 HA SER 18 -7.264 9.936 9.936
142 1HB SER 18 2HB SER 18 -4.826 10.146 10.146
143 2HB SER 18 1HB SER 18 -5.141 11.349 11.349
144 HG SER 18 HG SER 18 -6.460 10.938 10.938
145 H TRP 19 H TRP 19 -5.663 7.238 7.238
146 HA TRP 19 HA TRP 19 -3.862 8.066 8.066
147 1HB TRP 19 2HB TRP 19 -3.373 6.325 6.325
148 2HB TRP 19 1HB TRP 19 -3.964 5.173 5.173
149 HD1 TRP 19 HD1 TRP 19 -0.897 5.904 5.904
150 HE1 TRP 19 HE1 TRP 19 1.078 5.846 5.846
151 HE3 TRP 19 HE3 TRP 19 -3.446 6.394 6.394
152 HZ2 TRP 19 HZ2 TRP 19 1.483 5.993 5.993
153 HZ3 TRP 19 HZ3 TRP 19 -2.122 6.456 6.456
154 HH2 TRP 19 HH2 TRP 19 0.333 6.243 6.243
155 H ILE 20 H ILE 20 -6.150 5.322 5.322
156 HA ILE 20 HA ILE 20 -6.699 5.324 5.324
157 HB ILE 20 HB ILE 20 -6.912 3.432 3.432
158 1HG1 ILE 20 2HG1 ILE 20 -6.645 3.019 3.019
159 2HG1 ILE 20 1HG1 ILE 20 -5.294 3.218 3.218
160 1HG2 ILE 20 3HG2 ILE 20 -8.995 3.602 3.602
161 2HG2 ILE 20 2HG2 ILE 20 -8.752 2.156 2.156
162 3HG2 ILE 20 1HG2 ILE 20 -9.265 3.665 3.665
163 1HD1 ILE 20 1HD1 ILE 20 -6.293 1.169 1.169
164 2HD1 ILE 20 3HD1 ILE 20 -7.251 0.915 0.915
165 3HD1 ILE 20 2HD1 ILE 20 -5.506 0.865 0.865
166 H LYS 21 H LYS 21 -8.514 5.749 5.749
167 HA LYS 21 HA LYS 21 -10.962 6.265 6.265
168 1HB LYS 21 2HB LYS 21 -10.103 6.238 6.238
169 2HB LYS 21 1HB LYS 21 -10.879 7.785 7.785
170 1HG LYS 21 2HG LYS 21 -12.811 6.586 6.586
171 2HG LYS 21 1HG LYS 21 -12.068 5.043 5.043
172 1HD LYS 21 2HD LYS 21 -12.123 5.650 5.650
173 2HD LYS 21 1HD LYS 21 -12.818 7.214 7.214
174 1HE LYS 21 2HE LYS 21 -14.736 5.879 5.879
175 2HE LYS 21 1HE LYS 21 -14.090 4.463 4.463
176 1HZ LYS 21 3HZ LYS 21 -14.312 6.531 6.531
177 2HZ LYS 21 2HZ LYS 21 -15.764 6.452 6.452
178 3HZ LYS 21 1HZ LYS 21 -15.159 5.076 5.076
179 H ARG 22 H ARG 22 -8.127 8.046 8.046
180 HA ARG 22 HA ARG 22 -9.490 10.626 10.626
181 1HB ARG 22 2HB ARG 22 -7.362 10.568 10.568
182 2HB ARG 22 1HB ARG 22 -6.545 9.802 9.802
183 1HG ARG 22 2HG ARG 22 -5.950 12.129 12.129
184 2HG ARG 22 1HG ARG 22 -6.982 11.871 11.871
185 1HD ARG 22 2HD ARG 22 -8.932 12.796 12.796
186 2HD ARG 22 1HD ARG 22 -7.987 12.902 12.902
187 HE ARG 22 HE ARG 22 -7.332 14.489 14.489
188 1HH1 ARG 22 1HH2 ARG 22 -5.328 14.742 14.742
189 2HH1 ARG 22 2HH2 ARG 22 -5.763 16.029 16.029
190 1HH2 ARG 22 2HH1 ARG 22 -9.151 15.663 15.663
191 2HH2 ARG 22 1HH1 ARG 22 -8.237 16.634 16.634
192 H LYS 23 H LYS 23 -7.033 8.793 8.793
193 HA LYS 23 HA LYS 23 -7.586 10.101 10.101
194 1HB LYS 23 2HB LYS 23 -6.221 8.418 8.418
195 2HB LYS 23 1HB LYS 23 -5.528 8.710 8.710
196 1HG LYS 23 2HG LYS 23 -6.510 6.658 6.658
197 2HG LYS 23 1HG LYS 23 -7.342 6.343 6.343
198 1HD LYS 23 2HD LYS 23 -5.377 5.834 5.834
199 2HD LYS 23 1HD LYS 23 -4.350 6.774 6.774
200 1HE LYS 23 2HE LYS 23 -4.851 5.001 5.001
201 2HE LYS 23 1HE LYS 23 -5.572 4.037 4.037
202 1HZ LYS 23 1HZ LYS 23 -3.028 4.853 4.853
203 2HZ LYS 23 3HZ LYS 23 -2.825 4.298 4.298
204 3HZ LYS 23 2HZ LYS 23 -3.515 3.296 3.296
205 H ARG 24 H ARG 24 -9.211 7.324 7.324
206 HA ARG 24 HA ARG 24 -10.627 6.640 6.640
207 1HB ARG 24 2HB ARG 24 -10.318 5.354 5.354
208 2HB ARG 24 1HB ARG 24 -11.851 6.109 6.109
209 1HG ARG 24 2HG ARG 24 -11.582 4.711 4.711
210 2HG ARG 24 1HG ARG 24 -11.511 3.690 3.690
211 1HD ARG 24 2HD ARG 24 -13.703 4.651 4.651
212 2HD ARG 24 1HD ARG 24 -13.763 5.690 5.690
213 HE ARG 24 HE ARG 24 -13.918 3.577 3.577
214 1HH1 ARG 24 2HH1 ARG 24 -13.396 1.397 1.397
215 2HH1 ARG 24 1HH1 ARG 24 -14.875 0.872 0.872
216 1HH2 ARG 24 1HH2 ARG 24 -16.288 4.090 4.090
217 2HH2 ARG 24 2HH2 ARG 24 -16.667 2.535 2.535
218 H GLN 25 H GLN 25 -10.911 9.210 9.210
219 HA GLN 25 HA GLN 25 -13.711 9.850 9.850
220 1HB GLN 25 2HB GLN 25 -11.851 10.856 10.856
221 2HB GLN 25 1HB GLN 25 -13.253 11.785 11.785
222 1HG GLN 25 2HG GLN 25 -14.702 9.784 9.784
223 2HG GLN 25 1HG GLN 25 -13.263 8.971 8.971
224 1HE2 GLN 25 2HE2 GLN 25 -14.795 10.662 10.662
225 2HE2 GLN 25 1HE2 GLN 25 -15.188 9.361 9.361
226 H GLN 26 H GLN 26 -10.476 11.164 11.164
227 HA GLN 26 HA GLN 26 -11.350 13.295 13.295
228 1HB GLN 26 2HB GLN 26 -8.867 13.333 13.333
229 2HB GLN 26 1HB GLN 26 -9.560 14.683 14.683
230 1HG GLN 26 2HG GLN 26 -11.666 14.439 14.439
231 2HG GLN 26 1HG GLN 26 -10.819 13.181 13.181
232 1HE2 GLN 26 2HE2 GLN 26 -9.183 16.908 16.908
233 2HE2 GLN 26 1HE2 GLN 26 -9.655 16.400 16.400
234 1HN NH2 27 1HT GLN 26 -11.050 11.430 11.430
235 2HN NH2 27 2HT GLN 26 -9.486 11.224 11.224
Start of MODEL 18
1 1H GLY 1 1H GLY 1 5.195 -1.461 -1.461
2 2H GLY 1 3H GLY 1 5.762 -1.353 -1.353
3 3H GLY 1 2H GLY 1 6.397 -2.533 -2.533
4 1HA GLY 1 2HA GLY 1 4.793 -3.974 -3.974
5 2HA GLY 1 1HA GLY 1 4.140 -2.749 -2.749
6 H ILE 2 H ILE 2 2.112 -4.096 -4.096
7 HA ILE 2 HA ILE 2 1.371 -2.474 -2.474
8 HB ILE 2 HB ILE 2 -0.329 -4.425 -4.425
9 1HG1 ILE 2 2HG1 ILE 2 0.384 -6.599 -6.599
10 2HG1 ILE 2 1HG1 ILE 2 1.576 -5.836 -5.836
11 1HG2 ILE 2 2HG2 ILE 2 2.689 -4.831 -4.831
12 2HG2 ILE 2 1HG2 ILE 2 1.499 -5.831 -5.831
13 3HG2 ILE 2 3HG2 ILE 2 1.624 -4.130 -4.130
14 1HD1 ILE 2 1HD1 ILE 2 -1.265 -4.835 -4.835
15 2HD1 ILE 2 3HD1 ILE 2 -0.933 -6.439 -6.439
16 3HD1 ILE 2 2HD1 ILE 2 -0.074 -5.074 -5.074
17 H GLY 3 H GLY 3 0.647 -2.873 -2.873
18 1HA GLY 3 2HA GLY 3 -1.958 -2.715 -2.715
19 2HA GLY 3 1HA GLY 3 -0.825 -1.619 -1.619
20 H ALA 4 H ALA 4 -0.300 0.212 0.212
21 HA ALA 4 HA ALA 4 -2.966 1.492 1.492
22 1HB ALA 4 3HB ALA 4 -0.214 2.714 2.714
23 2HB ALA 4 2HB ALA 4 -1.740 3.557 3.557
24 3HB ALA 4 1HB ALA 4 -1.320 2.831 2.831
25 H VAL 5 H VAL 5 -1.084 -0.329 -0.329
26 HA VAL 5 HA VAL 5 -1.267 1.227 1.227
27 HB VAL 5 HB VAL 5 -0.229 -1.643 -1.643
28 1HG1 VAL 5 3HG1 VAL 5 -0.853 -0.734 -0.734
29 2HG1 VAL 5 2HG1 VAL 5 0.547 0.311 0.311
30 3HG1 VAL 5 1HG1 VAL 5 0.740 -1.437 -1.437
31 1HG2 VAL 5 3HG2 VAL 5 1.338 0.988 0.988
32 2HG2 VAL 5 2HG2 VAL 5 1.149 -0.142 -0.142
33 3HG2 VAL 5 1HG2 VAL 5 2.082 -0.599 -0.599
34 H LEU 6 H LEU 6 -2.212 -1.928 -1.928
35 HA LEU 6 HA LEU 6 -3.950 -2.898 -2.898
36 1HB LEU 6 2HB LEU 6 -4.484 -2.776 -2.776
37 2HB LEU 6 1HB LEU 6 -5.361 -3.808 -3.808
38 HG LEU 6 HG LEU 6 -2.377 -3.921 -3.921
39 1HD1 LEU 6 2HD1 LEU 6 -4.662 -5.855 -5.855
40 2HD1 LEU 6 1HD1 LEU 6 -2.966 -6.215 -6.215
41 3HD1 LEU 6 3HD1 LEU 6 -3.737 -4.943 -4.943
42 1HD2 LEU 6 1HD2 LEU 6 -4.025 -5.175 -5.175
43 2HD2 LEU 6 3HD2 LEU 6 -2.354 -4.631 -4.631
44 3HD2 LEU 6 2HD2 LEU 6 -2.763 -6.147 -6.147
45 H LYS 7 H LYS 7 -5.048 -0.764 -0.764
46 HA LYS 7 HA LYS 7 -7.637 -0.259 -0.259
47 1HB LYS 7 2HB LYS 7 -7.179 2.206 2.206
48 2HB LYS 7 1HB LYS 7 -7.249 0.848 0.848
49 1HG LYS 7 2HG LYS 7 -4.888 0.769 0.769
50 2HG LYS 7 1HG LYS 7 -4.585 1.718 1.718
51 1HD LYS 7 2HD LYS 7 -4.255 3.309 3.309
52 2HD LYS 7 1HD LYS 7 -5.902 3.636 3.636
53 1HE LYS 7 2HE LYS 7 -6.770 2.264 2.264
54 2HE LYS 7 1HE LYS 7 -5.128 1.865 1.865
55 1HZ LYS 7 2HZ LYS 7 -5.375 4.682 4.682
56 2HZ LYS 7 1HZ LYS 7 -6.627 4.106 4.106
57 3HZ LYS 7 3HZ LYS 7 -5.024 3.746 3.746
58 H VAL 8 H VAL 8 -4.734 1.528 1.528
59 HA VAL 8 HA VAL 8 -6.028 3.305 3.305
60 HB VAL 8 HB VAL 8 -3.300 1.904 1.904
61 1HG1 VAL 8 2HG1 VAL 8 -4.464 4.242 4.242
62 2HG1 VAL 8 1HG1 VAL 8 -2.721 4.017 4.017
63 3HG1 VAL 8 3HG1 VAL 8 -3.679 2.811 2.811
64 1HG2 VAL 8 2HG2 VAL 8 -3.702 3.262 3.262
65 2HG2 VAL 8 1HG2 VAL 8 -2.439 3.923 3.923
66 3HG2 VAL 8 3HG2 VAL 8 -4.034 4.656 4.656
67 H LEU 9 H LEU 9 -4.810 0.093 0.093
68 HA LEU 9 HA LEU 9 -5.666 -0.180 -0.180
69 1HB LEU 9 2HB LEU 9 -5.501 -2.541 -2.541
70 2HB LEU 9 1HB LEU 9 -5.138 -2.511 -2.511
71 HG LEU 9 HG LEU 9 -3.498 -1.034 -1.034
72 1HD1 LEU 9 1HD1 LEU 9 -3.558 -3.645 -3.645
73 2HD1 LEU 9 3HD1 LEU 9 -2.619 -3.596 -3.596
74 3HD1 LEU 9 2HD1 LEU 9 -2.003 -2.836 -2.836
75 1HD2 LEU 9 3HD2 LEU 9 -2.994 -1.740 -1.740
76 2HD2 LEU 9 2HD2 LEU 9 -3.200 -0.126 -0.126
77 3HD2 LEU 9 1HD2 LEU 9 -1.772 -1.057 -1.057
78 H THR 10 H THR 10 -7.447 -0.095 -0.095
79 HA THR 10 HA THR 10 -9.730 -1.575 -1.575
80 HB THR 10 HB THR 10 -10.433 -0.785 -0.785
81 HG1 THR 10 HG1 THR 10 -7.696 -1.538 -1.538
82 1HG2 THR 10 3HG2 THR 10 -9.375 -3.453 -3.453
83 2HG2 THR 10 2HG2 THR 10 -10.193 -3.232 -3.232
84 3HG2 THR 10 1HG2 THR 10 -11.070 -2.968 -2.968
85 H THR 11 H THR 11 -8.484 1.252 1.252
86 HA THR 11 HA THR 11 -11.084 2.734 2.734
87 HB THR 11 HB THR 11 -8.631 4.488 4.488
88 HG1 THR 11 HG1 THR 11 -8.668 2.402 2.402
89 1HG2 THR 11 2HG2 THR 11 -11.022 5.245 5.245
90 2HG2 THR 11 1HG2 THR 11 -10.902 4.280 4.280
91 3HG2 THR 11 3HG2 THR 11 -9.835 5.651 5.651
92 H GLY 12 H GLY 12 -7.767 2.891 2.891
93 1HA GLY 12 2HA GLY 12 -8.915 2.609 2.609
94 2HA GLY 12 1HA GLY 12 -8.079 4.132 4.132
95 H LEU 13 H LEU 13 -6.281 3.945 3.945
96 HA LEU 13 HA LEU 13 -4.178 2.102 2.102
97 1HB LEU 13 2HB LEU 13 -5.524 1.908 1.908
98 2HB LEU 13 1HB LEU 13 -3.768 1.885 1.885
99 HG LEU 13 HG LEU 13 -5.209 0.061 0.061
100 1HD1 LEU 13 3HD1 LEU 13 -4.872 -0.324 -0.324
101 2HD1 LEU 13 2HD1 LEU 13 -5.095 -1.666 -1.666
102 3HD1 LEU 13 1HD1 LEU 13 -6.339 -0.439 -0.439
103 1HD2 LEU 13 3HD2 LEU 13 -2.499 0.552 0.552
104 2HD2 LEU 13 2HD2 LEU 13 -3.156 -0.894 -0.894
105 3HD2 LEU 13 1HD2 LEU 13 -2.819 -0.863 -0.863
106 HA PRO 14 HA DPR 14 -1.886 5.849 5.849
107 1HB PRO 14 2HB DPR 14 -2.536 7.446 7.446
108 2HB PRO 14 1HB DPR 14 -4.196 7.525 7.525
109 1HG PRO 14 2HG DPR 14 -2.904 5.343 5.343
110 2HG PRO 14 1HG DPR 14 -4.456 6.138 6.138
111 1HD PRO 14 2HD DPR 14 -4.412 3.742 3.742
112 2HD PRO 14 1HD DPR 14 -5.490 5.024 5.024
113 H ALA 15 H ALA 15 -1.761 5.897 5.897
114 HA ALA 15 HA ALA 15 -3.087 8.310 8.310
115 1HB ALA 15 1HB ALA 15 -0.572 8.119 8.119
116 2HB ALA 15 3HB ALA 15 -0.742 6.820 6.820
117 3HB ALA 15 2HB ALA 15 -1.309 8.440 8.440
118 H LEU 16 H LEU 16 -3.230 4.878 4.878
119 HA LEU 16 HA LEU 16 -3.730 4.503 4.503
120 1HB LEU 16 2HB LEU 16 -4.739 3.256 3.256
121 2HB LEU 16 1HB LEU 16 -5.568 2.812 2.812
122 HG LEU 16 HG LEU 16 -3.546 1.372 1.372
123 1HD1 LEU 16 3HD1 LEU 16 -3.850 2.490 2.490
124 2HD1 LEU 16 2HD1 LEU 16 -2.823 1.115 1.115
125 3HD1 LEU 16 1HD1 LEU 16 -4.544 1.018 1.018
126 1HD2 LEU 16 1HD2 LEU 16 -1.944 3.206 3.206
127 2HD2 LEU 16 3HD2 LEU 16 -1.322 2.044 2.044
128 3HD2 LEU 16 2HD2 LEU 16 -1.893 3.595 3.595
129 H ILE 17 H ILE 17 -6.061 5.541 5.541
130 HA ILE 17 HA ILE 17 -8.325 5.689 5.689
131 HB ILE 17 HB ILE 17 -8.816 7.645 7.645
132 1HG1 ILE 17 2HG1 ILE 17 -7.653 7.321 7.321
133 2HG1 ILE 17 1HG1 ILE 17 -6.535 6.191 6.191
134 1HG2 ILE 17 3HG2 ILE 17 -9.912 5.436 5.436
135 2HG2 ILE 17 2HG2 ILE 17 -8.506 4.718 4.718
136 3HG2 ILE 17 1HG2 ILE 17 -9.499 5.883 5.883
137 1HD1 ILE 17 1HD1 ILE 17 -6.789 8.902 8.902
138 2HD1 ILE 17 3HD1 ILE 17 -6.002 8.790 8.790
139 3HD1 ILE 17 2HD1 ILE 17 -5.369 7.878 7.878
140 H SER 18 H SER 18 -5.586 7.806 7.806
141 HA SER 18 HA SER 18 -6.921 9.750 9.750
142 1HB SER 18 2HB SER 18 -4.671 9.950 9.950
143 2HB SER 18 1HB SER 18 -4.616 11.045 11.045
144 HG SER 18 HG SER 18 -6.285 11.151 11.151
145 H TRP 19 H TRP 19 -5.384 7.085 7.085
146 HA TRP 19 HA TRP 19 -3.615 8.005 8.005
147 1HB TRP 19 2HB TRP 19 -3.134 6.053 6.053
148 2HB TRP 19 1HB TRP 19 -3.758 5.037 5.037
149 HD1 TRP 19 HD1 TRP 19 -0.601 5.758 5.758
150 HE1 TRP 19 HE1 TRP 19 1.311 5.745 5.745
151 HE3 TRP 19 HE3 TRP 19 -3.336 6.258 6.258
152 HZ2 TRP 19 HZ2 TRP 19 1.596 5.928 5.928
153 HZ3 TRP 19 HZ3 TRP 19 -2.137 6.339 6.339
154 HH2 TRP 19 HH2 TRP 19 0.319 6.175 6.175
155 H ILE 20 H ILE 20 -5.839 5.156 5.156
156 HA ILE 20 HA ILE 20 -6.589 5.629 5.629
157 HB ILE 20 HB ILE 20 -6.470 3.337 3.337
158 1HG1 ILE 20 2HG1 ILE 20 -6.545 2.107 2.107
159 2HG1 ILE 20 1HG1 ILE 20 -6.762 3.652 3.652
160 1HG2 ILE 20 3HG2 ILE 20 -9.001 3.696 3.696
161 2HG2 ILE 20 2HG2 ILE 20 -8.481 2.181 2.181
162 3HG2 ILE 20 1HG2 ILE 20 -8.891 3.560 3.560
163 1HD1 ILE 20 1HD1 ILE 20 -4.572 4.383 4.383
164 2HD1 ILE 20 3HD1 ILE 20 -4.366 2.676 2.676
165 3HD1 ILE 20 2HD1 ILE 20 -4.397 3.237 3.237
166 H LYS 21 H LYS 21 -8.108 5.652 5.652
167 HA LYS 21 HA LYS 21 -10.710 6.201 6.201
168 1HB LYS 21 2HB LYS 21 -9.769 5.698 5.698
169 2HB LYS 21 1HB LYS 21 -10.334 7.354 7.354
170 1HG LYS 21 2HG LYS 21 -12.423 6.326 6.326
171 2HG LYS 21 1HG LYS 21 -11.902 4.851 4.851
172 1HD LYS 21 2HD LYS 21 -13.429 5.773 5.773
173 2HD LYS 21 1HD LYS 21 -11.877 6.251 6.251
174 1HE LYS 21 2HE LYS 21 -12.651 8.402 8.402
175 2HE LYS 21 1HE LYS 21 -12.438 8.380 8.380
176 1HZ LYS 21 1HZ LYS 21 -14.933 7.163 7.163
177 2HZ LYS 21 3HZ LYS 21 -14.828 8.661 8.661
178 3HZ LYS 21 2HZ LYS 21 -14.613 8.582 8.582
179 H ARG 22 H ARG 22 -7.901 8.110 8.110
180 HA ARG 22 HA ARG 22 -9.431 10.657 10.657
181 1HB ARG 22 2HB ARG 22 -7.203 10.692 10.692
182 2HB ARG 22 1HB ARG 22 -6.462 9.956 9.956
183 1HG ARG 22 2HG ARG 22 -7.182 12.104 12.104
184 2HG ARG 22 1HG ARG 22 -7.645 12.767 12.767
185 1HD ARG 22 2HD ARG 22 -5.261 12.236 12.236
186 2HD ARG 22 1HD ARG 22 -4.847 11.828 11.828
187 HE ARG 22 HE ARG 22 -5.536 14.241 14.241
188 1HH1 ARG 22 1HH2 ARG 22 -6.525 14.800 14.800
189 2HH1 ARG 22 2HH2 ARG 22 -5.259 15.735 15.735
190 1HH2 ARG 22 2HH1 ARG 22 -2.993 14.617 14.617
191 2HH2 ARG 22 1HH1 ARG 22 -3.086 15.609 15.609
192 H LYS 23 H LYS 23 -7.263 8.838 8.838
193 HA LYS 23 HA LYS 23 -7.594 10.123 10.123
194 1HB LYS 23 2HB LYS 23 -6.130 8.041 8.041
195 2HB LYS 23 1HB LYS 23 -7.552 7.078 7.078
196 1HG LYS 23 2HG LYS 23 -7.545 8.564 8.564
197 2HG LYS 23 1HG LYS 23 -5.856 8.724 8.724
198 1HD LYS 23 2HD LYS 23 -5.723 6.747 6.747
199 2HD LYS 23 1HD LYS 23 -5.969 6.086 6.086
200 1HE LYS 23 2HE LYS 23 -7.690 4.924 4.924
201 2HE LYS 23 1HE LYS 23 -8.585 6.382 6.382
202 1HZ LYS 23 2HZ LYS 23 -7.208 6.826 6.826
203 2HZ LYS 23 1HZ LYS 23 -7.949 5.318 5.318
204 3HZ LYS 23 3HZ LYS 23 -8.873 6.699 6.699
205 H ARG 24 H ARG 24 -9.594 7.382 7.382
206 HA ARG 24 HA ARG 24 -11.398 7.472 7.472
207 1HB ARG 24 2HB ARG 24 -11.122 5.852 5.852
208 2HB ARG 24 1HB ARG 24 -12.646 6.655 6.655
209 1HG ARG 24 2HG ARG 24 -13.139 6.039 6.039
210 2HG ARG 24 1HG ARG 24 -11.863 4.868 4.868
211 1HD ARG 24 2HD ARG 24 -13.416 3.443 3.443
212 2HD ARG 24 1HD ARG 24 -13.586 4.494 4.494
213 HE ARG 24 HE ARG 24 -15.178 4.967 4.967
214 1HH1 ARG 24 2HH1 ARG 24 -15.330 6.766 6.766
215 2HH1 ARG 24 1HH1 ARG 24 -16.768 6.265 6.265
216 1HH2 ARG 24 1HH2 ARG 24 -16.726 3.159 3.159
217 2HH2 ARG 24 2HH2 ARG 24 -17.628 4.020 4.020
218 H GLN 25 H GLN 25 -11.157 9.760 9.760
219 HA GLN 25 HA GLN 25 -13.973 10.668 10.668
220 1HB GLN 25 2HB GLN 25 -11.821 11.371 11.371
221 2HB GLN 25 1HB GLN 25 -13.390 12.158 12.158
222 1HG GLN 25 2HG GLN 25 -14.531 9.937 9.937
223 2HG GLN 25 1HG GLN 25 -12.971 9.130 9.130
224 1HE2 GLN 25 2HE2 GLN 25 -12.214 10.901 10.901
225 2HE2 GLN 25 1HE2 GLN 25 -11.520 10.832 10.832
226 H GLN 26 H GLN 26 -11.236 11.050 11.050
227 HA GLN 26 HA GLN 26 -11.713 13.946 13.946
228 1HB GLN 26 2HB GLN 26 -9.419 12.912 12.912
229 2HB GLN 26 1HB GLN 26 -9.089 12.642 12.642
230 1HG GLN 26 2HG GLN 26 -9.626 15.104 15.104
231 2HG GLN 26 1HG GLN 26 -9.720 15.334 15.334
232 1HE2 GLN 26 2HE2 GLN 26 -6.144 14.337 14.337
233 2HE2 GLN 26 1HE2 GLN 26 -7.604 13.721 13.721
234 1HN NH2 27 1HT GLN 26 -10.999 10.763 10.763
235 2HN NH2 27 2HT GLN 26 -11.458 11.247 11.247
Start of MODEL 19
1 1H GLY 1 3H GLY 1 4.877 0.276 0.276
2 2H GLY 1 2H GLY 1 5.229 0.624 0.624
3 3H GLY 1 1H GLY 1 6.223 -0.449 -0.449
4 1HA GLY 1 2HA GLY 1 4.908 -2.182 -2.182
5 2HA GLY 1 1HA GLY 1 3.894 -1.062 -1.062
6 H ILE 2 H ILE 2 2.467 -2.999 -2.999
7 HA ILE 2 HA ILE 2 1.566 -1.697 -1.697
8 HB ILE 2 HB ILE 2 0.374 -4.081 -4.081
9 1HG1 ILE 2 2HG1 ILE 2 1.850 -5.896 -5.896
10 2HG1 ILE 2 1HG1 ILE 2 2.790 -4.760 -4.760
11 1HG2 ILE 2 1HG2 ILE 2 3.350 -3.588 -3.588
12 2HG2 ILE 2 3HG2 ILE 2 2.434 -4.892 -4.892
13 3HG2 ILE 2 2HG2 ILE 2 2.053 -3.230 -3.230
14 1HD1 ILE 2 3HD1 ILE 2 -0.203 -4.801 -4.801
15 2HD1 ILE 2 2HD1 ILE 2 0.714 -6.184 -6.184
16 3HD1 ILE 2 1HD1 ILE 2 1.091 -4.607 -4.607
17 H GLY 3 H GLY 3 0.493 -2.707 -2.707
18 1HA GLY 3 2HA GLY 3 -2.107 -2.999 -2.999
19 2HA GLY 3 1HA GLY 3 -1.280 -1.846 -1.846
20 H ALA 4 H ALA 4 -0.862 0.097 0.097
21 HA ALA 4 HA ALA 4 -3.642 1.192 1.192
22 1HB ALA 4 3HB ALA 4 -0.902 2.574 2.574
23 2HB ALA 4 2HB ALA 4 -2.439 3.396 3.396
24 3HB ALA 4 1HB ALA 4 -2.020 2.663 2.663
25 H VAL 5 H VAL 5 -0.680 0.887 0.887
26 HA VAL 5 HA VAL 5 -1.302 1.810 1.810
27 HB VAL 5 HB VAL 5 0.072 -0.882 -0.882
28 1HG1 VAL 5 2HG1 VAL 5 0.433 1.295 1.295
29 2HG1 VAL 5 1HG1 VAL 5 1.420 -0.154 -0.154
30 3HG1 VAL 5 3HG1 VAL 5 -0.283 -0.285 -0.285
31 1HG2 VAL 5 1HG2 VAL 5 1.091 1.959 1.959
32 2HG2 VAL 5 3HG2 VAL 5 1.188 0.595 0.595
33 3HG2 VAL 5 2HG2 VAL 5 2.194 0.639 0.639
34 H LEU 6 H LEU 6 -2.003 -1.477 -1.477
35 HA LEU 6 HA LEU 6 -3.342 -2.464 -2.464
36 1HB LEU 6 2HB LEU 6 -4.255 -2.924 -2.924
37 2HB LEU 6 1HB LEU 6 -4.582 -3.969 -3.969
38 HG LEU 6 HG LEU 6 -1.758 -3.361 -3.361
39 1HD1 LEU 6 1HD1 LEU 6 -3.550 -5.783 -5.783
40 2HD1 LEU 6 3HD1 LEU 6 -1.838 -5.735 -5.735
41 3HD1 LEU 6 2HD1 LEU 6 -2.943 -4.685 -4.685
42 1HD2 LEU 6 1HD2 LEU 6 -2.800 -5.359 -5.359
43 2HD2 LEU 6 3HD2 LEU 6 -1.759 -3.985 -3.985
44 3HD2 LEU 6 2HD2 LEU 6 -1.159 -5.328 -5.328
45 H LYS 7 H LYS 7 -4.765 -0.699 -0.699
46 HA LYS 7 HA LYS 7 -7.431 -0.557 -0.557
47 1HB LYS 7 2HB LYS 7 -5.993 0.570 0.570
48 2HB LYS 7 1HB LYS 7 -6.088 1.983 1.983
49 1HG LYS 7 2HG LYS 7 -8.636 1.623 1.623
50 2HG LYS 7 1HG LYS 7 -8.444 0.389 0.389
51 1HD LYS 7 2HD LYS 7 -7.344 3.207 3.207
52 2HD LYS 7 1HD LYS 7 -9.017 2.834 2.834
53 1HE LYS 7 2HE LYS 7 -8.498 1.387 1.387
54 2HE LYS 7 1HE LYS 7 -6.885 1.042 1.042
55 1HZ LYS 7 3HZ LYS 7 -7.059 3.806 3.806
56 2HZ LYS 7 2HZ LYS 7 -7.649 2.964 2.964
57 3HZ LYS 7 1HZ LYS 7 -6.091 2.646 2.646
58 H VAL 8 H VAL 8 -4.837 1.511 1.511
59 HA VAL 8 HA VAL 8 -6.247 3.298 3.298
60 HB VAL 8 HB VAL 8 -3.440 2.188 2.188
61 1HG1 VAL 8 3HG1 VAL 8 -4.483 3.799 3.799
62 2HG1 VAL 8 2HG1 VAL 8 -4.553 4.988 4.988
63 3HG1 VAL 8 1HG1 VAL 8 -2.996 4.379 4.379
64 1HG2 VAL 8 1HG2 VAL 8 -4.389 4.155 4.155
65 2HG2 VAL 8 3HG2 VAL 8 -3.369 2.747 2.747
66 3HG2 VAL 8 2HG2 VAL 8 -2.739 4.163 4.163
67 H LEU 9 H LEU 9 -4.785 0.182 0.182
68 HA LEU 9 HA LEU 9 -5.622 0.127 0.127
69 1HB LEU 9 2HB LEU 9 -5.108 -2.338 -2.338
70 2HB LEU 9 1HB LEU 9 -4.761 -2.086 -2.086
71 HG LEU 9 HG LEU 9 -3.284 -0.812 -0.812
72 1HD1 LEU 9 3HD1 LEU 9 -2.460 -2.845 -2.845
73 2HD1 LEU 9 2HD1 LEU 9 -1.415 -2.148 -2.148
74 3HD1 LEU 9 1HD1 LEU 9 -2.777 -3.152 -3.152
75 1HD2 LEU 9 1HD2 LEU 9 -3.418 0.739 0.739
76 2HD2 LEU 9 3HD2 LEU 9 -1.790 0.209 0.209
77 3HD2 LEU 9 2HD2 LEU 9 -2.678 -0.538 -0.538
78 H THR 10 H THR 10 -7.411 -0.069 -0.069
79 HA THR 10 HA THR 10 -9.483 -1.826 -1.826
80 HB THR 10 HB THR 10 -10.188 -0.974 -0.974
81 HG1 THR 10 HG1 THR 10 -7.472 -1.645 -1.645
82 1HG2 THR 10 2HG2 THR 10 -9.213 -3.677 -3.677
83 2HG2 THR 10 1HG2 THR 10 -10.001 -3.409 -3.409
84 3HG2 THR 10 3HG2 THR 10 -10.895 -3.161 -3.161
85 H THR 11 H THR 11 -8.468 1.143 1.143
86 HA THR 11 HA THR 11 -11.182 2.385 2.385
87 HB THR 11 HB THR 11 -8.838 4.274 4.274
88 HG1 THR 11 HG1 THR 11 -8.916 2.186 2.186
89 1HG2 THR 11 2HG2 THR 11 -11.355 4.865 4.865
90 2HG2 THR 11 1HG2 THR 11 -11.292 4.036 4.036
91 3HG2 THR 11 3HG2 THR 11 -10.297 5.455 5.455
92 H GLY 12 H GLY 12 -7.824 2.951 2.951
93 1HA GLY 12 2HA GLY 12 -8.981 2.831 2.831
94 2HA GLY 12 1HA GLY 12 -8.058 4.264 4.264
95 H LEU 13 H LEU 13 -6.151 4.093 4.093
96 HA LEU 13 HA LEU 13 -4.229 2.065 2.065
97 1HB LEU 13 2HB LEU 13 -5.743 1.709 1.709
98 2HB LEU 13 1HB LEU 13 -4.029 1.874 1.874
99 HG LEU 13 HG LEU 13 -5.066 -0.051 -0.051
100 1HD1 LEU 13 1HD1 LEU 13 -5.214 -0.264 -0.264
101 2HD1 LEU 13 3HD1 LEU 13 -4.180 -1.514 -1.514
102 3HD1 LEU 13 2HD1 LEU 13 -5.822 -1.342 -1.342
103 1HD2 LEU 13 1HD2 LEU 13 -2.380 0.437 0.437
104 2HD2 LEU 13 3HD2 LEU 13 -2.735 0.419 0.419
105 3HD2 LEU 13 2HD2 LEU 13 -2.734 -1.076 -1.076
106 HA PRO 14 HA DPR 14 -1.685 5.726 5.726
107 1HB PRO 14 2HB DPR 14 -2.392 7.420 7.420
108 2HB PRO 14 1HB DPR 14 -4.084 7.264 7.264
109 1HG PRO 14 2HG DPR 14 -2.451 5.331 5.331
110 2HG PRO 14 1HG DPR 14 -4.070 5.964 5.964
111 1HD PRO 14 2HD DPR 14 -3.696 3.515 3.515
112 2HD PRO 14 1HD DPR 14 -5.077 4.563 4.563
113 H ALA 15 H ALA 15 -1.667 5.652 5.652
114 HA ALA 15 HA ALA 15 -2.979 8.041 8.041
115 1HB ALA 15 1HB ALA 15 -0.500 7.892 7.892
116 2HB ALA 15 3HB ALA 15 -0.648 6.454 6.454
117 3HB ALA 15 2HB ALA 15 -1.238 8.007 8.007
118 H LEU 16 H LEU 16 -3.276 4.614 4.614
119 HA LEU 16 HA LEU 16 -3.747 4.208 4.208
120 1HB LEU 16 2HB LEU 16 -4.970 3.064 3.064
121 2HB LEU 16 1HB LEU 16 -5.648 2.601 2.601
122 HG LEU 16 HG LEU 16 -3.757 1.106 1.106
123 1HD1 LEU 16 1HD1 LEU 16 -4.588 1.023 1.023
124 2HD1 LEU 16 3HD1 LEU 16 -3.496 2.320 2.320
125 3HD1 LEU 16 2HD1 LEU 16 -2.858 0.766 0.766
126 1HD2 LEU 16 2HD2 LEU 16 -1.957 3.374 3.374
127 2HD2 LEU 16 1HD2 LEU 16 -2.129 2.791 2.791
128 3HD2 LEU 16 3HD2 LEU 16 -1.447 1.755 1.755
129 H ILE 17 H ILE 17 -6.060 5.376 5.376
130 HA ILE 17 HA ILE 17 -8.226 5.666 5.666
131 HB ILE 17 HB ILE 17 -8.407 7.842 7.842
132 1HG1 ILE 17 2HG1 ILE 17 -8.056 6.648 6.648
133 2HG1 ILE 17 1HG1 ILE 17 -7.264 5.335 5.335
134 1HG2 ILE 17 1HG2 ILE 17 -10.222 6.332 6.332
135 2HG2 ILE 17 3HG2 ILE 17 -9.541 5.039 5.039
136 3HG2 ILE 17 2HG2 ILE 17 -10.145 6.502 6.502
137 1HD1 ILE 17 3HD1 ILE 17 -6.224 8.096 8.096
138 2HD1 ILE 17 2HD1 ILE 17 -6.016 7.536 7.536
139 3HD1 ILE 17 1HD1 ILE 17 -5.316 6.630 6.630
140 H SER 18 H SER 18 -5.564 7.827 7.827
141 HA SER 18 HA SER 18 -6.332 10.012 10.012
142 1HB SER 18 2HB SER 18 -3.478 9.474 9.474
143 2HB SER 18 1HB SER 18 -4.373 10.998 10.998
144 HG SER 18 HG SER 18 -4.880 10.505 10.505
145 H TRP 19 H TRP 19 -5.223 7.040 7.040
146 HA TRP 19 HA TRP 19 -3.790 7.905 7.905
147 1HB TRP 19 2HB TRP 19 -3.172 5.939 5.939
148 2HB TRP 19 1HB TRP 19 -3.970 4.958 4.958
149 HD1 TRP 19 HD1 TRP 19 -0.728 5.671 5.671
150 HE1 TRP 19 HE1 TRP 19 1.025 5.619 5.619
151 HE3 TRP 19 HE3 TRP 19 -3.771 6.056 6.056
152 HZ2 TRP 19 HZ2 TRP 19 1.149 5.714 5.714
153 HZ3 TRP 19 HZ3 TRP 19 -2.690 6.064 6.064
154 HH2 TRP 19 HH2 TRP 19 -0.232 5.890 5.890
155 H ILE 20 H ILE 20 -6.128 5.284 5.284
156 HA ILE 20 HA ILE 20 -7.106 5.561 5.561
157 HB ILE 20 HB ILE 20 -7.021 3.506 3.506
158 1HG1 ILE 20 2HG1 ILE 20 -7.218 2.039 2.039
159 2HG1 ILE 20 1HG1 ILE 20 -7.220 3.518 3.518
160 1HG2 ILE 20 3HG2 ILE 20 -9.531 3.805 3.805
161 2HG2 ILE 20 2HG2 ILE 20 -9.105 2.381 2.381
162 3HG2 ILE 20 1HG2 ILE 20 -9.420 3.924 3.924
163 1HD1 ILE 20 1HD1 ILE 20 -5.023 4.160 4.160
164 2HD1 ILE 20 3HD1 ILE 20 -5.027 2.644 2.644
165 3HD1 ILE 20 2HD1 ILE 20 -4.908 2.643 2.643
166 H LYS 21 H LYS 21 -8.371 6.247 6.247
167 HA LYS 21 HA LYS 21 -10.983 6.767 6.767
168 1HB LYS 21 2HB LYS 21 -9.870 6.569 6.569
169 2HB LYS 21 1HB LYS 21 -10.458 8.207 8.207
170 1HG LYS 21 2HG LYS 21 -12.549 6.907 6.907
171 2HG LYS 21 1HG LYS 21 -11.917 5.579 5.579
172 1HD LYS 21 2HD LYS 21 -12.067 7.112 7.112
173 2HD LYS 21 1HD LYS 21 -12.660 8.376 8.376
174 1HE LYS 21 2HE LYS 21 -14.563 7.476 7.476
175 2HE LYS 21 1HE LYS 21 -14.583 6.817 6.817
176 1HZ LYS 21 1HZ LYS 21 -13.144 5.093 5.093
177 2HZ LYS 21 3HZ LYS 21 -14.708 5.403 5.403
178 3HZ LYS 21 2HZ LYS 21 -14.510 4.762 4.762
179 H ARG 22 H ARG 22 -8.038 8.353 8.353
180 HA ARG 22 HA ARG 22 -9.176 11.044 11.044
181 1HB ARG 22 2HB ARG 22 -7.040 10.194 10.194
182 2HB ARG 22 1HB ARG 22 -6.271 10.320 10.320
183 1HG ARG 22 2HG ARG 22 -7.667 12.736 12.736
184 2HG ARG 22 1HG ARG 22 -7.297 12.436 12.436
185 1HD ARG 22 2HD ARG 22 -5.189 13.189 13.189
186 2HD ARG 22 1HD ARG 22 -4.872 11.825 11.825
187 HE ARG 22 HE ARG 22 -5.899 13.218 13.218
188 1HH1 ARG 22 1HH2 ARG 22 -6.783 15.326 15.326
189 2HH1 ARG 22 2HH2 ARG 22 -5.605 16.580 16.580
190 1HH2 ARG 22 2HH1 ARG 22 -3.359 14.281 14.281
191 2HH2 ARG 22 1HH1 ARG 22 -3.494 15.926 15.926
192 H LYS 23 H LYS 23 -7.946 8.364 8.364
193 HA LYS 23 HA LYS 23 -7.666 9.981 9.981
194 1HB LYS 23 2HB LYS 23 -6.089 8.094 8.094
195 2HB LYS 23 1HB LYS 23 -7.375 6.974 6.974
196 1HG LYS 23 2HG LYS 23 -7.296 8.455 8.455
197 2HG LYS 23 1HG LYS 23 -5.672 8.753 8.753
198 1HD LYS 23 2HD LYS 23 -5.702 6.850 6.850
199 2HD LYS 23 1HD LYS 23 -5.217 6.327 6.327
200 1HE LYS 23 2HE LYS 23 -7.232 5.175 5.175
201 2HE LYS 23 1HE LYS 23 -8.175 6.201 6.201
202 1HZ LYS 23 3HZ LYS 23 -6.207 4.846 4.846
203 2HZ LYS 23 2HZ LYS 23 -7.012 3.718 3.718
204 3HZ LYS 23 1HZ LYS 23 -7.893 4.712 4.712
205 H ARG 24 H ARG 24 -9.792 7.569 7.569
206 HA ARG 24 HA ARG 24 -11.417 7.047 7.047
207 1HB ARG 24 2HB ARG 24 -11.395 5.781 5.781
208 2HB ARG 24 1HB ARG 24 -12.356 7.077 7.077
209 1HG ARG 24 2HG ARG 24 -13.464 6.077 6.077
210 2HG ARG 24 1HG ARG 24 -13.269 4.781 4.781
211 1HD ARG 24 2HD ARG 24 -14.902 5.628 5.628
212 2HD ARG 24 1HD ARG 24 -14.535 7.305 7.305
213 HE ARG 24 HE ARG 24 -15.963 5.552 5.552
214 1HH1 ARG 24 1HH2 ARG 24 -15.213 8.315 8.315
215 2HH1 ARG 24 2HH2 ARG 24 -16.640 9.220 9.220
216 1HH2 ARG 24 2HH1 ARG 24 -17.892 6.557 6.557
217 2HH2 ARG 24 1HH1 ARG 24 -18.288 8.147 8.147
218 H GLN 25 H GLN 25 -11.111 9.841 9.841
219 HA GLN 25 HA GLN 25 -13.781 10.925 10.925
220 1HB GLN 25 2HB GLN 25 -12.962 12.919 12.919
221 2HB GLN 25 1HB GLN 25 -13.334 11.435 11.435
222 1HG GLN 25 2HG GLN 25 -10.870 10.857 10.857
223 2HG GLN 25 1HG GLN 25 -10.557 12.372 12.372
224 1HE2 GLN 25 2HE2 GLN 25 -11.623 12.502 12.502
225 2HE2 GLN 25 1HE2 GLN 25 -12.183 11.215 11.215
226 H GLN 26 H GLN 26 -11.000 10.552 10.552
227 HA GLN 26 HA GLN 26 -11.072 13.217 13.217
228 1HB GLN 26 2HB GLN 26 -8.894 11.798 11.798
229 2HB GLN 26 1HB GLN 26 -8.539 11.838 11.838
230 1HG GLN 26 2HG GLN 26 -9.496 14.435 14.435
231 2HG GLN 26 1HG GLN 26 -7.910 13.885 13.885
232 1HE2 GLN 26 2HE2 GLN 26 -6.608 15.268 15.268
233 2HE2 GLN 26 1HE2 GLN 26 -6.503 15.157 15.157
234 1HN NH2 27 1HT GLN 26 -9.925 12.860 12.860
235 2HN NH2 27 2HT GLN 26 -10.594 11.561 11.561
Start of MODEL 20
1 1H GLY 1 2H GLY 1 5.219 -1.164 -1.164
2 2H GLY 1 1H GLY 1 5.837 -0.602 -0.602
3 3H GLY 1 3H GLY 1 6.535 -1.961 -1.961
4 1HA GLY 1 2HA GLY 1 5.086 -3.322 -3.322
5 2HA GLY 1 1HA GLY 1 4.380 -1.904 -1.904
6 H ILE 2 H ILE 2 2.492 -3.694 -3.694
7 HA ILE 2 HA ILE 2 1.411 -2.867 -2.867
8 HB ILE 2 HB ILE 2 -0.095 -4.909 -4.909
9 1HG1 ILE 2 2HG1 ILE 2 0.456 -5.115 -5.115
10 2HG1 ILE 2 1HG1 ILE 2 0.383 -6.557 -6.557
11 1HG2 ILE 2 3HG2 ILE 2 2.867 -5.076 -5.076
12 2HG2 ILE 2 2HG2 ILE 2 1.850 -6.502 -6.502
13 3HG2 ILE 2 1HG2 ILE 2 1.519 -5.142 -5.142
14 1HD1 ILE 2 3HD1 ILE 2 3.150 -5.543 -5.543
15 2HD1 ILE 2 2HD1 ILE 2 2.538 -5.829 -5.829
16 3HD1 ILE 2 1HD1 ILE 2 2.521 -7.112 -7.112
17 H GLY 3 H GLY 3 0.649 -3.106 -3.106
18 1HA GLY 3 2HA GLY 3 -1.755 -2.820 -2.820
19 2HA GLY 3 1HA GLY 3 -0.712 -1.484 -1.484
20 H ALA 4 H ALA 4 -0.618 0.041 0.041
21 HA ALA 4 HA ALA 4 -3.443 0.933 0.933
22 1HB ALA 4 3HB ALA 4 -1.813 2.576 2.576
23 2HB ALA 4 2HB ALA 4 -0.838 2.444 2.444
24 3HB ALA 4 1HB ALA 4 -2.458 3.110 3.110
25 H VAL 5 H VAL 5 -0.636 -0.032 -0.032
26 HA VAL 5 HA VAL 5 -1.278 0.750 0.750
27 HB VAL 5 HB VAL 5 -0.088 -1.995 -1.995
28 1HG1 VAL 5 1HG1 VAL 5 0.306 0.018 0.018
29 2HG1 VAL 5 3HG1 VAL 5 1.459 -1.272 -1.272
30 3HG1 VAL 5 2HG1 VAL 5 -0.198 -1.656 -1.656
31 1HG2 VAL 5 1HG2 VAL 5 1.229 0.744 0.744
32 2HG2 VAL 5 3HG2 VAL 5 1.139 -0.546 -0.546
33 3HG2 VAL 5 2HG2 VAL 5 2.167 -0.722 -0.722
34 H LEU 6 H LEU 6 -2.131 -2.129 -2.129
35 HA LEU 6 HA LEU 6 -3.752 -3.421 -3.421
36 1HB LEU 6 2HB LEU 6 -4.007 -3.381 -3.381
37 2HB LEU 6 1HB LEU 6 -4.885 -4.497 -4.497
38 HG LEU 6 HG LEU 6 -1.847 -4.280 -4.280
39 1HD1 LEU 6 2HD1 LEU 6 -3.627 -6.131 -6.131
40 2HD1 LEU 6 1HD1 LEU 6 -1.901 -6.353 -6.353
41 3HD1 LEU 6 3HD1 LEU 6 -2.518 -4.926 -4.926
42 1HD2 LEU 6 1HD2 LEU 6 -3.892 -6.250 -6.250
43 2HD2 LEU 6 3HD2 LEU 6 -2.604 -5.434 -5.434
44 3HD2 LEU 6 2HD2 LEU 6 -2.224 -6.734 -6.734
45 H LYS 7 H LYS 7 -4.438 -0.587 -0.587
46 HA LYS 7 HA LYS 7 -7.346 -0.820 -0.820
47 1HB LYS 7 2HB LYS 7 -5.670 1.076 1.076
48 2HB LYS 7 1HB LYS 7 -7.262 1.560 1.560
49 1HG LYS 7 2HG LYS 7 -7.670 0.576 0.576
50 2HG LYS 7 1HG LYS 7 -8.157 -0.644 -0.644
51 1HD LYS 7 2HD LYS 7 -6.076 -1.917 -1.917
52 2HD LYS 7 1HD LYS 7 -5.340 -0.580 -0.580
53 1HE LYS 7 2HE LYS 7 -6.065 -2.316 -2.316
54 2HE LYS 7 1HE LYS 7 -6.914 -0.802 -0.802
55 1HZ LYS 7 1HZ LYS 7 -8.370 -2.303 -2.303
56 2HZ LYS 7 3HZ LYS 7 -8.023 -3.320 -3.320
57 3HZ LYS 7 2HZ LYS 7 -8.848 -1.866 -1.866
58 H VAL 8 H VAL 8 -4.435 0.820 0.820
59 HA VAL 8 HA VAL 8 -5.522 2.976 2.976
60 HB VAL 8 HB VAL 8 -3.140 1.117 1.117
61 1HG1 VAL 8 3HG1 VAL 8 -3.964 3.705 3.705
62 2HG1 VAL 8 2HG1 VAL 8 -2.310 3.093 3.093
63 3HG1 VAL 8 1HG1 VAL 8 -3.631 2.161 2.161
64 1HG2 VAL 8 1HG2 VAL 8 -3.040 2.467 2.467
65 2HG2 VAL 8 3HG2 VAL 8 -1.768 2.886 2.886
66 3HG2 VAL 8 2HG2 VAL 8 -3.170 3.926 3.926
67 H LEU 9 H LEU 9 -4.934 -0.334 -0.334
68 HA LEU 9 HA LEU 9 -6.123 -0.219 -0.219
69 1HB LEU 9 2HB LEU 9 -6.198 -2.808 -2.808
70 2HB LEU 9 1HB LEU 9 -5.711 -2.499 -2.499
71 HG LEU 9 HG LEU 9 -4.070 -1.884 -1.884
72 1HD1 LEU 9 2HD1 LEU 9 -3.723 -3.913 -3.913
73 2HD1 LEU 9 1HD1 LEU 9 -2.561 -3.598 -3.598
74 3HD1 LEU 9 3HD1 LEU 9 -4.145 -4.241 -4.241
75 1HD2 LEU 9 2HD2 LEU 9 -3.844 -0.860 -0.860
76 2HD2 LEU 9 1HD2 LEU 9 -3.044 -0.287 -0.287
77 3HD2 LEU 9 3HD2 LEU 9 -2.382 -1.635 -1.635
78 H THR 10 H THR 10 -7.788 0.371 0.371
79 HA THR 10 HA THR 10 -10.215 -1.163 -1.163
80 HB THR 10 HB THR 10 -10.067 0.564 0.564
81 HG1 THR 10 HG1 THR 10 -8.348 -1.368 -1.368
82 1HG2 THR 10 2HG2 THR 10 -12.169 -0.788 -0.788
83 2HG2 THR 10 1HG2 THR 10 -11.190 -2.246 -2.246
84 3HG2 THR 10 3HG2 THR 10 -11.460 -1.266 -1.266
85 H THR 11 H THR 11 -8.661 1.744 1.744
86 HA THR 11 HA THR 11 -11.204 3.173 3.173
87 HB THR 11 HB THR 11 -8.513 4.542 4.542
88 HG1 THR 11 HG1 THR 11 -10.527 4.311 4.311
89 1HG2 THR 11 2HG2 THR 11 -11.480 5.371 5.371
90 2HG2 THR 11 1HG2 THR 11 -10.294 6.246 6.246
91 3HG2 THR 11 3HG2 THR 11 -10.131 6.179 6.179
92 H GLY 12 H GLY 12 -7.705 3.200 3.200
93 1HA GLY 12 2HA GLY 12 -8.637 2.903 2.903
94 2HA GLY 12 1HA GLY 12 -7.753 4.382 4.382
95 H LEU 13 H LEU 13 -5.702 4.275 4.275
96 HA LEU 13 HA LEU 13 -3.838 2.303 2.303
97 1HB LEU 13 2HB LEU 13 -5.084 1.886 1.886
98 2HB LEU 13 1HB LEU 13 -3.344 2.054 2.054
99 HG LEU 13 HG LEU 13 -4.417 0.263 0.263
100 1HD1 LEU 13 3HD1 LEU 13 -4.281 -0.573 -0.573
101 2HD1 LEU 13 2HD1 LEU 13 -4.512 -1.654 -1.654
102 3HD1 LEU 13 1HD1 LEU 13 -5.726 -0.449 -0.449
103 1HD2 LEU 13 3HD2 LEU 13 -1.915 0.854 0.854
104 2HD2 LEU 13 2HD2 LEU 13 -2.319 -0.841 -0.841
105 3HD2 LEU 13 1HD2 LEU 13 -2.061 -0.179 -0.179
106 HA PRO 14 HA DPR 14 -1.483 5.928 5.928
107 1HB PRO 14 2HB DPR 14 -2.072 7.406 7.406
108 2HB PRO 14 1HB DPR 14 -3.734 7.586 7.586
109 1HG PRO 14 2HG DPR 14 -2.532 5.258 5.258
110 2HG PRO 14 1HG DPR 14 -4.056 6.092 6.092
111 1HD PRO 14 2HD DPR 14 -4.092 3.791 3.791
112 2HD PRO 14 1HD DPR 14 -5.108 5.144 5.144
113 H ALA 15 H ALA 15 -1.630 5.937 5.937
114 HA ALA 15 HA ALA 15 -2.612 8.598 8.598
115 1HB ALA 15 3HB ALA 15 -0.518 6.747 6.747
116 2HB ALA 15 2HB ALA 15 -0.979 8.305 8.305
117 3HB ALA 15 1HB ALA 15 -0.262 8.238 8.238
118 H LEU 16 H LEU 16 -3.149 5.242 5.242
119 HA LEU 16 HA LEU 16 -3.944 5.037 5.037
120 1HB LEU 16 2HB LEU 16 -4.921 3.880 3.880
121 2HB LEU 16 1HB LEU 16 -5.937 3.610 3.610
122 HG LEU 16 HG LEU 16 -4.164 1.882 1.882
123 1HD1 LEU 16 3HD1 LEU 16 -5.192 2.620 2.620
124 2HD1 LEU 16 2HD1 LEU 16 -3.545 3.134 3.134
125 3HD1 LEU 16 1HD1 LEU 16 -3.881 1.459 1.459
126 1HD2 LEU 16 2HD2 LEU 16 -2.263 3.281 3.281
127 2HD2 LEU 16 1HD2 LEU 16 -1.833 2.297 2.297
128 3HD2 LEU 16 3HD2 LEU 16 -2.164 3.998 3.998
129 H ILE 17 H ILE 17 -5.829 6.538 6.538
130 HA ILE 17 HA ILE 17 -8.293 6.918 6.918
131 HB ILE 17 HB ILE 17 -7.115 9.152 9.152
132 1HG1 ILE 17 2HG1 ILE 17 -7.924 7.518 7.518
133 2HG1 ILE 17 1HG1 ILE 17 -7.562 6.242 6.242
134 1HG2 ILE 17 3HG2 ILE 17 -9.520 9.116 9.116
135 2HG2 ILE 17 2HG2 ILE 17 -9.776 7.695 7.695
136 3HG2 ILE 17 1HG2 ILE 17 -9.337 9.224 9.224
137 1HD1 ILE 17 2HD1 ILE 17 -5.320 8.064 8.064
138 2HD1 ILE 17 1HD1 ILE 17 -5.723 7.862 7.862
139 3HD1 ILE 17 3HD1 ILE 17 -5.318 6.466 6.466
140 H SER 18 H SER 18 -5.362 8.888 8.888
141 HA SER 18 HA SER 18 -6.850 10.530 10.530
142 1HB SER 18 2HB SER 18 -5.372 11.669 11.669
143 2HB SER 18 1HB SER 18 -3.993 11.042 11.042
144 HG SER 18 HG SER 18 -4.416 12.276 12.276
145 H TRP 19 H TRP 19 -5.489 7.783 7.783
146 HA TRP 19 HA TRP 19 -3.819 8.011 8.011
147 1HB TRP 19 2HB TRP 19 -3.400 6.650 6.650
148 2HB TRP 19 1HB TRP 19 -4.093 5.361 5.361
149 HD1 TRP 19 HD1 TRP 19 -0.902 6.555 6.555
150 HE1 TRP 19 HE1 TRP 19 1.021 5.850 5.850
151 HE3 TRP 19 HE3 TRP 19 -3.595 5.152 5.152
152 HZ2 TRP 19 HZ2 TRP 19 1.352 4.858 4.858
153 HZ3 TRP 19 HZ3 TRP 19 -2.360 4.300 4.300
154 HH2 TRP 19 HH2 TRP 19 0.104 4.158 4.158
155 H ILE 20 H ILE 20 -6.164 5.626 5.626
156 HA ILE 20 HA ILE 20 -7.008 5.111 5.111
157 HB ILE 20 HB ILE 20 -6.936 3.713 3.713
158 1HG1 ILE 20 2HG1 ILE 20 -5.747 3.074 3.074
159 2HG1 ILE 20 1HG1 ILE 20 -6.603 1.786 1.786
160 1HG2 ILE 20 2HG2 ILE 20 -9.507 3.536 3.536
161 2HG2 ILE 20 1HG2 ILE 20 -8.943 2.284 2.284
162 3HG2 ILE 20 3HG2 ILE 20 -9.271 3.904 3.904
163 1HD1 ILE 20 1HD1 ILE 20 -8.027 3.312 3.312
164 2HD1 ILE 20 3HD1 ILE 20 -6.879 2.037 2.037
165 3HD1 ILE 20 2HD1 ILE 20 -8.294 1.676 1.676
166 H LYS 21 H LYS 21 -8.286 6.511 6.511
167 HA LYS 21 HA LYS 21 -10.949 6.767 6.767
168 1HB LYS 21 2HB LYS 21 -9.694 7.269 7.269
169 2HB LYS 21 1HB LYS 21 -10.755 8.595 8.595
170 1HG LYS 21 2HG LYS 21 -12.475 6.753 6.753
171 2HG LYS 21 1HG LYS 21 -11.381 5.612 5.612
172 1HD LYS 21 2HD LYS 21 -11.746 6.476 6.476
173 2HD LYS 21 1HD LYS 21 -12.141 8.079 8.079
174 1HE LYS 21 2HE LYS 21 -14.279 6.890 6.890
175 2HE LYS 21 1HE LYS 21 -13.917 5.605 5.605
176 1HZ LYS 21 3HZ LYS 21 -13.764 8.079 8.079
177 2HZ LYS 21 2HZ LYS 21 -15.211 8.037 8.037
178 3HZ LYS 21 1HZ LYS 21 -14.861 6.818 6.818
179 H ARG 22 H ARG 22 -8.057 8.204 8.204
180 HA ARG 22 HA ARG 22 -9.228 10.866 10.866
181 1HB ARG 22 2HB ARG 22 -6.919 10.810 10.810
182 2HB ARG 22 1HB ARG 22 -6.373 9.641 9.641
183 1HG ARG 22 2HG ARG 22 -6.252 11.200 11.200
184 2HG ARG 22 1HG ARG 22 -7.577 12.158 12.158
185 1HD ARG 22 2HD ARG 22 -4.714 12.140 12.140
186 2HD ARG 22 1HD ARG 22 -5.519 13.480 13.480
187 HE ARG 22 HE ARG 22 -6.258 12.422 12.422
188 1HH1 ARG 22 2HH1 ARG 22 -6.963 14.844 14.844
189 2HH1 ARG 22 1HH1 ARG 22 -7.091 16.124 16.124
190 1HH2 ARG 22 1HH2 ARG 22 -5.989 13.930 13.930
191 2HH2 ARG 22 2HH2 ARG 22 -6.550 15.540 15.540
192 H LYS 23 H LYS 23 -7.123 8.589 8.589
193 HA LYS 23 HA LYS 23 -7.869 8.812 8.812
194 1HB LYS 23 2HB LYS 23 -6.165 7.213 7.213
195 2HB LYS 23 1HB LYS 23 -7.470 6.087 6.087
196 1HG LYS 23 2HG LYS 23 -7.094 7.247 7.247
197 2HG LYS 23 1HG LYS 23 -5.918 6.088 6.088
198 1HD LYS 23 2HD LYS 23 -8.909 5.472 5.472
199 2HD LYS 23 1HD LYS 23 -8.059 5.239 5.239
200 1HE LYS 23 2HE LYS 23 -7.092 4.032 4.032
201 2HE LYS 23 1HE LYS 23 -8.229 3.205 3.205
202 1HZ LYS 23 3HZ LYS 23 -6.072 4.111 4.111
203 2HZ LYS 23 2HZ LYS 23 -5.427 3.299 3.299
204 3HZ LYS 23 1HZ LYS 23 -6.531 2.518 2.518
205 H ARG 24 H ARG 24 -9.485 6.315 6.315
206 HA ARG 24 HA ARG 24 -11.413 5.610 5.610
207 1HB ARG 24 2HB ARG 24 -10.757 4.504 4.504
208 2HB ARG 24 1HB ARG 24 -11.976 5.548 5.548
209 1HG ARG 24 2HG ARG 24 -12.996 4.087 4.087
210 2HG ARG 24 1HG ARG 24 -12.330 2.979 2.979
211 1HD ARG 24 2HD ARG 24 -14.480 3.114 3.114
212 2HD ARG 24 1HD ARG 24 -13.821 4.478 4.478
213 HE ARG 24 HE ARG 24 -14.663 5.831 5.831
214 1HH1 ARG 24 2HH1 ARG 24 -16.003 3.700 3.700
215 2HH1 ARG 24 1HH1 ARG 24 -17.625 3.750 3.750
216 1HH2 ARG 24 1HH2 ARG 24 -16.568 5.695 5.695
217 2HH2 ARG 24 2HH2 ARG 24 -17.984 4.997 4.997
218 H GLN 25 H GLN 25 -11.386 8.399 8.399
219 HA GLN 25 HA GLN 25 -14.265 8.906 8.906
220 1HB GLN 25 2HB GLN 25 -12.416 10.347 10.347
221 2HB GLN 25 1HB GLN 25 -14.167 10.512 10.512
222 1HG GLN 25 2HG GLN 25 -14.327 7.953 7.953
223 2HG GLN 25 1HG GLN 25 -12.611 7.974 7.974
224 1HE2 GLN 25 2HE2 GLN 25 -13.437 10.168 10.168
225 2HE2 GLN 25 1HE2 GLN 25 -12.485 10.377 10.377
226 H GLN 26 H GLN 26 -11.187 10.675 10.675
227 HA GLN 26 HA GLN 26 -12.396 12.467 12.467
228 1HB GLN 26 2HB GLN 26 -10.602 14.095 14.095
229 2HB GLN 26 1HB GLN 26 -11.766 13.708 13.708
230 1HG GLN 26 2HG GLN 26 -10.098 12.112 12.112
231 2HG GLN 26 1HG GLN 26 -8.960 12.472 12.472
232 1HE2 GLN 26 2HE2 GLN 26 -9.771 15.471 15.471
233 2HE2 GLN 26 1HE2 GLN 26 -11.018 14.409 14.409
234 1HN NH2 27 1HT GLN 26 -10.218 9.887 9.887
235 2HN NH2 27 2HT GLN 26 -9.309 10.344 10.344