Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558171 | 2m0s RC | 18822 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 2.707 -6.434 5.107
2 HA ASP 1 HA ASP 1 0.731 -6.304 2.941
3 HB2 ASP 1 1HB ASP 1 2.213 -4.311 4.125
4 HB3 ASP 1 2HB ASP 1 3.141 -4.655 2.668
5 H ILE 2 H ILE 2 1.836 -6.088 0.694
6 HA ILE 2 HA ILE 2 2.881 -8.530 -0.040
7 HB ILE 2 HB ILE 2 3.359 -5.899 -1.443
8 HG12 ILE 2 1HG1 ILE 2 0.972 -6.344 -1.039
9 HG13 ILE 2 2HG1 ILE 2 1.365 -6.458 -2.751
10 HG21 ILE 2 1HG2 ILE 2 4.753 -7.245 -2.618
11 HG22 ILE 2 2HG2 ILE 2 3.909 -8.718 -2.145
12 HG23 ILE 2 3HG2 ILE 2 3.248 -7.693 -3.419
13 HD11 ILE 2 3HD1 ILE 2 0.880 -8.719 -0.832
14 HD12 ILE 2 1HD1 ILE 2 -0.113 -8.237 -2.207
15 HD13 ILE 2 2HD1 ILE 2 1.486 -8.932 -2.475
16 H GLY 3 H GLY 3 4.587 -5.611 0.956
17 HA2 GLY 3 1HA GLY 3 6.953 -7.182 1.521
18 HA3 GLY 3 2HA GLY 3 7.154 -6.005 0.232
19 H MET 4 H MET 4 5.867 -6.190 3.552
20 HA MET 4 HA MET 4 6.323 -3.417 4.053
21 HB2 MET 4 1HB MET 4 4.911 -5.486 5.296
22 HB3 MET 4 2HB MET 4 6.153 -5.030 6.454
23 HG2 MET 4 1HG MET 4 5.027 -2.650 5.417
24 HG3 MET 4 2HG MET 4 3.705 -3.728 5.860
25 HE1 MET 4 3HE MET 4 3.158 -3.624 9.186
26 HE2 MET 4 1HE MET 4 3.241 -4.693 7.785
27 HE3 MET 4 2HE MET 4 4.362 -4.913 9.130
28 H GLY 5 H GLY 5 8.272 -6.237 4.193
29 HA2 GLY 5 1HA GLY 5 10.129 -5.341 6.170
30 HA3 GLY 5 2HA GLY 5 10.383 -6.648 5.022
31 H VAL 6 H VAL 6 9.606 -4.450 2.932
32 HA VAL 6 HA VAL 6 12.362 -3.672 2.440
33 HB VAL 6 HB VAL 6 10.126 -2.826 0.653
34 HG11 VAL 6 1HG1 VAL 6 12.127 -2.116 -0.216
35 HG12 VAL 6 2HG1 VAL 6 13.019 -3.501 0.416
36 HG13 VAL 6 3HG1 VAL 6 11.978 -3.691 -0.996
37 HG21 VAL 6 3HG2 VAL 6 10.962 -5.635 1.194
38 HG22 VAL 6 1HG2 VAL 6 9.366 -4.984 0.821
39 HG23 VAL 6 2HG2 VAL 6 10.564 -5.168 -0.460
40 H THR 7 H THR 7 9.310 -2.223 3.341
41 HA THR 7 HA THR 7 10.214 0.484 2.965
42 HB THR 7 HB THR 7 7.860 0.082 2.719
43 HG1 THR 7 HG1 THR 7 7.125 1.472 4.615
44 HG21 THR 7 3HG2 THR 7 7.941 -0.951 5.555
45 HG22 THR 7 1HG2 THR 7 7.617 -1.895 4.101
46 HG23 THR 7 2HG2 THR 7 6.470 -0.662 4.628
47 H TYR 8 H TYR 8 9.875 -1.756 5.663
48 HA TYR 8 HA TYR 8 10.486 0.158 7.686
49 HB2 TYR 8 1HB TYR 8 9.247 -1.995 8.062
50 HB3 TYR 8 2HB TYR 8 10.773 -2.847 7.849
51 HD1 TYR 8 HD1 TYR 8 12.549 -2.655 9.527
52 HD2 TYR 8 HD2 TYR 8 8.778 -0.764 10.080
53 HE1 TYR 8 HE1 TYR 8 13.059 -2.350 11.914
54 HE2 TYR 8 HE2 TYR 8 9.278 -0.452 12.468
55 HH TYR 8 HH TYR 8 11.801 -2.037 14.039
56 H LEU 9 H LEU 9 12.363 -1.462 5.384
57 HA LEU 9 HA LEU 9 14.816 -1.060 6.959
58 HB2 LEU 9 1HB LEU 9 13.946 -3.107 5.080
59 HB3 LEU 9 2HB LEU 9 15.540 -2.461 4.698
60 HG LEU 9 HG LEU 9 14.722 -3.717 7.317
61 HD11 LEU 9 1HD1 LEU 9 16.803 -4.854 5.534
62 HD12 LEU 9 2HD1 LEU 9 15.113 -5.089 5.088
63 HD13 LEU 9 3HD1 LEU 9 15.700 -5.660 6.650
64 HD21 LEU 9 3HD2 LEU 9 16.373 -2.238 7.944
65 HD22 LEU 9 1HD2 LEU 9 17.198 -2.333 6.388
66 HD23 LEU 9 2HD2 LEU 9 17.322 -3.668 7.534
67 H ALA 10 H ALA 10 13.114 -0.188 4.059
68 HA ALA 10 HA ALA 10 15.414 1.367 3.105
69 HB1 ALA 10 1HB ALA 10 14.303 1.513 0.993
70 HB2 ALA 10 2HB ALA 10 14.245 -0.168 1.525
71 HB3 ALA 10 3HB ALA 10 12.815 0.853 1.671
72 H LEU 11 H LEU 11 11.883 1.788 3.444
73 HA LEU 11 HA LEU 11 12.020 4.624 3.311
74 HB2 LEU 11 1HB LEU 11 9.905 2.639 4.029
75 HB3 LEU 11 2HB LEU 11 9.640 4.353 4.341
76 HG LEU 11 HG LEU 11 10.203 3.132 1.639
77 HD11 LEU 11 1HD1 LEU 11 7.733 3.628 3.150
78 HD12 LEU 11 2HD1 LEU 11 8.052 2.513 1.822
79 HD13 LEU 11 3HD1 LEU 11 7.730 4.214 1.486
80 HD21 LEU 11 3HD2 LEU 11 9.380 5.446 0.918
81 HD22 LEU 11 1HD2 LEU 11 11.020 5.322 1.553
82 HD23 LEU 11 2HD2 LEU 11 9.724 5.944 2.575
83 H LEU 12 H LEU 12 12.764 2.441 5.760
84 HA LEU 12 HA LEU 12 12.265 4.416 7.875
85 HB2 LEU 12 1HB LEU 12 11.977 1.609 7.754
86 HB3 LEU 12 2HB LEU 12 13.291 1.946 8.878
87 HG LEU 12 HG LEU 12 11.424 3.685 9.772
88 HD11 LEU 12 1HD1 LEU 12 9.947 2.358 7.957
89 HD12 LEU 12 2HD1 LEU 12 9.288 3.054 9.438
90 HD13 LEU 12 3HD1 LEU 12 9.689 1.338 9.373
91 HD21 LEU 12 3HD2 LEU 12 12.723 2.049 11.079
92 HD22 LEU 12 1HD2 LEU 12 11.620 0.777 10.551
93 HD23 LEU 12 2HD2 LEU 12 11.025 2.099 11.557
94 H ALA 13 H ALA 13 14.778 2.458 6.375
95 HA ALA 13 HA ALA 13 16.808 3.817 8.005
96 HB1 ALA 13 1HB ALA 13 17.718 1.707 6.191
97 HB2 ALA 13 2HB ALA 13 18.055 1.958 7.904
98 HB3 ALA 13 3HB ALA 13 16.557 1.171 7.406
99 H ALA 14 H ALA 14 16.462 2.712 4.626
100 HA ALA 14 HA ALA 14 18.458 4.282 3.518
101 HB1 ALA 14 1HB ALA 14 16.990 2.407 2.479
102 HB2 ALA 14 2HB ALA 14 15.950 3.743 1.986
103 HB3 ALA 14 3HB ALA 14 17.628 3.687 1.447
104 H PHE 15 H PHE 15 15.344 5.201 4.667
105 HA PHE 15 HA PHE 15 14.987 7.558 3.139
106 HB2 PHE 15 1HB PHE 15 13.337 6.217 4.708
107 HB3 PHE 15 2HB PHE 15 13.920 7.350 5.923
108 HD1 PHE 15 HD1 PHE 15 12.270 7.118 2.620
109 HD2 PHE 15 HD2 PHE 15 13.118 9.551 6.009
110 HE1 PHE 15 HE1 PHE 15 10.674 8.803 1.805
111 HE2 PHE 15 HE2 PHE 15 11.522 11.239 5.200
112 HZ PHE 15 HZ PHE 15 10.297 10.867 3.096
113 H LYS 16 H LYS 16 16.880 6.798 5.938
114 HA LYS 16 HA LYS 16 17.250 9.489 6.832
115 HB2 LYS 16 1HB LYS 16 18.616 6.877 7.433
116 HB3 LYS 16 2HB LYS 16 19.231 8.395 8.074
117 HG2 LYS 16 1HG LYS 16 17.816 8.211 9.762
118 HG3 LYS 16 2HG LYS 16 16.476 8.365 8.624
119 HD2 LYS 16 1HD LYS 16 15.939 6.343 9.521
120 HD3 LYS 16 2HD LYS 16 17.023 5.788 8.243
121 HE2 LYS 16 1HE LYS 16 18.266 4.807 9.801
122 HE3 LYS 16 2HE LYS 16 18.663 6.405 10.430
123 HZ1 LYS 16 3HZ LYS 16 17.729 5.582 12.284
124 HZ2 LYS 16 1HZ LYS 16 16.824 4.413 11.461
125 HZ3 LYS 16 2HZ LYS 16 16.274 6.011 11.534
126 H VAL 17 H VAL 17 17.743 10.338 4.640
127 HA VAL 17 HA VAL 17 20.605 10.019 4.005
128 HB VAL 17 HB VAL 17 19.365 11.171 1.773
129 HG11 VAL 17 1HG1 VAL 17 21.274 9.449 2.081
130 HG12 VAL 17 2HG1 VAL 17 19.986 8.249 1.953
131 HG13 VAL 17 3HG1 VAL 17 20.279 9.375 0.627
132 HG21 VAL 17 3HG2 VAL 17 17.622 9.568 1.183
133 HG22 VAL 17 1HG2 VAL 17 17.794 8.791 2.757
134 HG23 VAL 17 2HG2 VAL 17 17.198 10.447 2.651
135 H ARG 18 H ARG 18 18.120 12.148 4.954
136 HA ARG 18 HA ARG 18 19.122 14.585 3.933
137 HB2 ARG 18 1HB ARG 18 16.960 14.833 4.661
138 HB3 ARG 18 2HB ARG 18 17.195 13.791 6.057
139 HG2 ARG 18 1HG ARG 18 16.802 16.109 6.707
140 HG3 ARG 18 2HG ARG 18 18.405 15.557 7.201
141 HD2 ARG 18 1HD ARG 18 19.439 17.067 5.913
142 HD3 ARG 18 2HD ARG 18 18.368 16.760 4.546
143 HE ARG 18 HE ARG 18 17.011 18.229 6.543
144 HH11 ARG 18 1HH1 ARG 18 19.454 18.567 4.085
145 HH12 ARG 18 2HH1 ARG 18 19.152 20.254 3.833
146 HH21 ARG 18 1HH2 ARG 18 16.605 20.450 6.220
147 HH22 ARG 18 2HH2 ARG 18 17.532 21.325 5.048
148 HA PRO 19 HA PRO 19 21.246 15.110 8.244
149 HB2 PRO 19 1HB PRO 19 21.362 12.920 9.845
150 HB3 PRO 19 2HB PRO 19 20.022 14.072 9.888
151 HG2 PRO 19 1HG PRO 19 20.193 11.414 8.520
152 HG3 PRO 19 2HG PRO 19 18.855 12.107 9.455
153 HD2 PRO 19 1HD PRO 19 18.893 12.106 6.748
154 HD3 PRO 19 2HD PRO 19 18.125 13.399 7.691
155 H THR 20 H THR 20 21.613 12.511 6.095
156 HA THR 20 HA THR 20 24.087 11.443 6.908
157 HB THR 20 HB THR 20 22.920 11.622 4.124
158 HG1 THR 20 HG1 THR 20 21.861 10.393 5.998
159 HG21 THR 20 3HG2 THR 20 24.424 9.511 3.886
160 HG22 THR 20 1HG2 THR 20 25.315 10.210 5.237
161 HG23 THR 20 2HG2 THR 20 25.149 11.111 3.730
162 H PHE 21 H PHE 21 23.256 14.407 5.362
163 HA PHE 21 HA PHE 21 25.790 14.904 4.141
164 HB2 PHE 21 1HB PHE 21 23.287 16.057 3.986
165 HB3 PHE 21 2HB PHE 21 24.227 17.275 4.841
166 HD1 PHE 21 HD2 PHE 21 26.825 17.191 3.670
167 HD2 PHE 21 HD1 PHE 21 23.038 16.681 1.795
168 HE1 PHE 21 HE2 PHE 21 27.784 17.949 1.534
169 HE2 PHE 21 HE1 PHE 21 23.990 17.438 -0.344
170 HZ PHE 21 HZ PHE 21 26.366 18.074 -0.476
171 H ALA 22 H ALA 22 24.211 16.124 7.088
172 HA ALA 22 HA ALA 22 26.574 17.514 7.951
173 HB1 ALA 22 1HB ALA 22 24.547 18.504 8.611
174 HB2 ALA 22 2HB ALA 22 23.908 16.980 9.229
175 HB3 ALA 22 3HB ALA 22 25.217 17.798 10.082
176 H ALA 23 H ALA 23 25.111 14.396 8.531
177 HA ALA 23 HA ALA 23 26.518 13.703 10.874
178 HB1 ALA 23 1HB ALA 23 25.440 11.877 8.729
179 HB2 ALA 23 2HB ALA 23 25.879 11.412 10.373
180 HB3 ALA 23 3HB ALA 23 24.523 12.506 10.098
181 H GLY 24 H GLY 24 27.294 13.389 7.447
182 HA2 GLY 24 1HA GLY 24 29.958 12.372 8.222
183 HA3 GLY 24 2HA GLY 24 29.164 11.977 6.705
184 H LEU 25 H LEU 25 28.938 15.210 7.910
185 HA LEU 25 HA LEU 25 30.041 16.332 5.575
186 HB2 LEU 25 1HB LEU 25 29.627 18.404 6.527
187 HB3 LEU 25 2HB LEU 25 28.422 17.359 7.277
188 HG LEU 25 HG LEU 25 30.310 17.196 9.149
189 HD11 LEU 25 1HD1 LEU 25 31.126 19.650 9.371
190 HD12 LEU 25 2HD1 LEU 25 30.891 19.699 7.625
191 HD13 LEU 25 3HD1 LEU 25 32.006 18.530 8.332
192 HD21 LEU 25 3HD2 LEU 25 28.513 17.988 10.191
193 HD22 LEU 25 1HD2 LEU 25 27.928 18.766 8.720
194 HD23 LEU 25 2HD2 LEU 25 29.066 19.610 9.771
195 H LEU 26 H LEU 26 31.522 15.013 8.326
196 HA LEU 26 HA LEU 26 33.869 16.616 8.409
197 HB2 LEU 26 1HB LEU 26 33.442 13.782 9.342
198 HB3 LEU 26 2HB LEU 26 34.804 14.813 9.773
199 HG LEU 26 HG LEU 26 33.513 15.006 11.652
200 HD11 LEU 26 1HD1 LEU 26 33.787 17.229 10.309
201 HD12 LEU 26 2HD1 LEU 26 32.777 17.179 11.754
202 HD13 LEU 26 3HD1 LEU 26 32.033 17.119 10.156
203 HD21 LEU 26 3HD2 LEU 26 31.369 14.378 11.818
204 HD22 LEU 26 1HD2 LEU 26 31.564 13.812 10.159
205 HD23 LEU 26 2HD2 LEU 26 30.864 15.401 10.472
206 H LEU 27 H LEU 27 32.828 13.971 6.442
207 HA LEU 27 HA LEU 27 35.450 13.219 5.541
208 HB2 LEU 27 1HB LEU 27 33.058 11.976 5.532
209 HB3 LEU 27 2HB LEU 27 33.104 12.571 3.874
210 HG LEU 27 HG LEU 27 35.497 11.430 3.920
211 HD11 LEU 27 1HD1 LEU 27 33.952 10.077 6.108
212 HD12 LEU 27 2HD1 LEU 27 35.611 10.674 6.132
213 HD13 LEU 27 3HD1 LEU 27 35.204 9.239 5.191
214 HD21 LEU 27 3HD2 LEU 27 33.720 9.259 3.567
215 HD22 LEU 27 1HD2 LEU 27 34.454 10.285 2.335
216 HD23 LEU 27 2HD2 LEU 27 32.889 10.717 3.024
217 H ARG 28 H ARG 28 36.484 13.781 3.670
218 HA ARG 28 HA ARG 28 35.183 15.790 1.959
219 HB2 ARG 28 1HB ARG 28 36.911 16.694 3.657
220 HB3 ARG 28 2HB ARG 28 38.111 15.928 2.624
221 HG2 ARG 28 1HG ARG 28 37.947 17.510 1.050
222 HG3 ARG 28 2HG ARG 28 36.192 17.614 1.196
223 HD2 ARG 28 1HD ARG 28 36.291 19.176 2.889
224 HD3 ARG 28 2HD ARG 28 37.910 18.686 3.386
225 HE ARG 28 HE ARG 28 37.900 19.815 0.770
226 HH11 ARG 28 1HH1 ARG 28 37.823 20.609 4.159
227 HH12 ARG 28 2HH1 ARG 28 38.534 22.174 3.942
228 HH21 ARG 28 1HH2 ARG 28 38.837 21.873 0.471
229 HH22 ARG 28 2HH2 ARG 28 39.110 22.892 1.843
Start of MODEL 2
1 H1 ASP 1 H ASP 1 2.645 -6.546 5.226
2 HA ASP 1 HA ASP 1 0.631 -6.561 3.092
3 HB2 ASP 1 1HB ASP 1 2.034 -4.471 4.205
4 HB3 ASP 1 2HB ASP 1 2.950 -4.804 2.738
5 H ILE 2 H ILE 2 1.680 -6.355 0.823
6 HA ILE 2 HA ILE 2 2.835 -8.757 0.128
7 HB ILE 2 HB ILE 2 3.148 -6.136 -1.341
8 HG12 ILE 2 1HG1 ILE 2 1.210 -7.995 -2.421
9 HG13 ILE 2 2HG1 ILE 2 0.825 -7.594 -0.751
10 HG21 ILE 2 1HG2 ILE 2 3.157 -7.913 -3.296
11 HG22 ILE 2 2HG2 ILE 2 4.637 -7.462 -2.450
12 HG23 ILE 2 3HG2 ILE 2 3.797 -8.953 -2.024
13 HD11 ILE 2 3HD1 ILE 2 0.496 -6.028 -3.138
14 HD12 ILE 2 1HD1 ILE 2 -0.145 -5.762 -1.518
15 HD13 ILE 2 2HD1 ILE 2 1.459 -5.164 -1.941
16 H GLY 3 H GLY 3 4.423 -5.712 0.958
17 HA2 GLY 3 1HA GLY 3 6.871 -7.162 1.535
18 HA3 GLY 3 2HA GLY 3 6.986 -5.998 0.223
19 H MET 4 H MET 4 5.938 -6.260 3.612
20 HA MET 4 HA MET 4 6.277 -3.424 4.031
21 HB2 MET 4 1HB MET 4 4.856 -5.488 5.304
22 HB3 MET 4 2HB MET 4 6.050 -4.942 6.474
23 HG2 MET 4 1HG MET 4 4.643 -2.778 5.101
24 HG3 MET 4 2HG MET 4 3.606 -3.819 6.075
25 HE1 MET 4 3HE MET 4 3.757 -2.949 9.311
26 HE2 MET 4 1HE MET 4 3.720 -4.332 8.218
27 HE3 MET 4 2HE MET 4 5.103 -4.089 9.285
28 H GLY 5 H GLY 5 8.267 -6.172 4.119
29 HA2 GLY 5 1HA GLY 5 10.067 -5.293 6.176
30 HA3 GLY 5 2HA GLY 5 10.347 -6.596 5.030
31 H VAL 6 H VAL 6 9.644 -4.509 2.867
32 HA VAL 6 HA VAL 6 12.384 -3.686 2.439
33 HB VAL 6 HB VAL 6 10.794 -4.570 0.635
34 HG11 VAL 6 1HG1 VAL 6 9.179 -3.216 -0.291
35 HG12 VAL 6 2HG1 VAL 6 9.036 -2.801 1.418
36 HG13 VAL 6 3HG1 VAL 6 9.916 -1.736 0.321
37 HG21 VAL 6 3HG2 VAL 6 12.052 -1.963 -0.136
38 HG22 VAL 6 1HG2 VAL 6 13.044 -3.328 0.379
39 HG23 VAL 6 2HG2 VAL 6 11.997 -3.481 -1.031
40 H THR 7 H THR 7 9.336 -2.231 3.332
41 HA THR 7 HA THR 7 10.243 0.475 2.962
42 HB THR 7 HB THR 7 7.905 0.166 2.715
43 HG1 THR 7 HG1 THR 7 7.984 1.213 5.333
44 HG21 THR 7 3HG2 THR 7 6.511 -0.690 4.634
45 HG22 THR 7 1HG2 THR 7 8.015 -1.205 5.398
46 HG23 THR 7 2HG2 THR 7 7.531 -1.895 3.848
47 H TYR 8 H TYR 8 9.886 -1.763 5.664
48 HA TYR 8 HA TYR 8 10.508 0.143 7.686
49 HB2 TYR 8 1HB TYR 8 9.271 -2.018 8.050
50 HB3 TYR 8 2HB TYR 8 10.803 -2.860 7.850
51 HD1 TYR 8 HD1 TYR 8 12.566 -2.654 9.543
52 HD2 TYR 8 HD2 TYR 8 8.778 -0.786 10.062
53 HE1 TYR 8 HE1 TYR 8 13.054 -2.342 11.933
54 HE2 TYR 8 HE2 TYR 8 9.257 -0.467 12.453
55 HH TYR 8 HH TYR 8 12.402 -1.267 13.821
56 H LEU 9 H LEU 9 12.382 -1.471 5.379
57 HA LEU 9 HA LEU 9 14.838 -1.077 6.953
58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061
59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685
60 HG LEU 9 HG LEU 9 14.739 -3.737 7.296
61 HD11 LEU 9 1HD1 LEU 9 16.851 -4.905 5.609
62 HD12 LEU 9 2HD1 LEU 9 15.205 -5.044 4.991
63 HD13 LEU 9 3HD1 LEU 9 15.606 -5.689 6.583
64 HD21 LEU 9 3HD2 LEU 9 17.471 -3.659 7.219
65 HD22 LEU 9 1HD2 LEU 9 16.443 -2.534 8.107
66 HD23 LEU 9 2HD2 LEU 9 17.032 -2.109 6.499
67 H ALA 10 H ALA 10 13.141 -0.201 4.047
68 HA ALA 10 HA ALA 10 15.437 1.369 3.112
69 HB1 ALA 10 1HB ALA 10 14.334 1.518 0.993
70 HB2 ALA 10 2HB ALA 10 14.292 -0.166 1.518
71 HB3 ALA 10 3HB ALA 10 12.850 0.839 1.662
72 H LEU 11 H LEU 11 11.903 1.766 3.439
73 HA LEU 11 HA LEU 11 12.020 4.603 3.307
74 HB2 LEU 11 1HB LEU 11 9.919 2.604 4.024
75 HB3 LEU 11 2HB LEU 11 9.641 4.316 4.336
76 HG LEU 11 HG LEU 11 10.215 3.100 1.634
77 HD11 LEU 11 1HD1 LEU 11 8.067 2.429 1.935
78 HD12 LEU 11 2HD1 LEU 11 7.757 4.078 1.393
79 HD13 LEU 11 3HD1 LEU 11 7.717 3.694 3.113
80 HD21 LEU 11 3HD2 LEU 11 9.572 5.912 2.504
81 HD22 LEU 11 1HD2 LEU 11 9.496 5.355 0.832
82 HD23 LEU 11 2HD2 LEU 11 11.034 5.343 1.696
83 H LEU 12 H LEU 12 12.778 2.426 5.757
84 HA LEU 12 HA LEU 12 12.264 4.399 7.872
85 HB2 LEU 12 1HB LEU 12 11.993 1.590 7.751
86 HB3 LEU 12 2HB LEU 12 13.305 1.935 8.876
87 HG LEU 12 HG LEU 12 11.200 1.698 10.057
88 HD11 LEU 12 1HD1 LEU 12 12.875 3.287 10.899
89 HD12 LEU 12 2HD1 LEU 12 11.230 3.774 11.302
90 HD13 LEU 12 3HD1 LEU 12 12.090 4.578 9.989
91 HD21 LEU 12 3HD2 LEU 12 9.976 4.155 9.075
92 HD22 LEU 12 1HD2 LEU 12 9.258 2.574 9.388
93 HD23 LEU 12 2HD2 LEU 12 10.070 2.885 7.854
94 H ALA 13 H ALA 13 14.791 2.453 6.377
95 HA ALA 13 HA ALA 13 16.811 3.827 8.007
96 HB1 ALA 13 1HB ALA 13 16.611 1.204 7.544
97 HB2 ALA 13 2HB ALA 13 17.612 1.656 6.164
98 HB3 ALA 13 3HB ALA 13 18.156 2.015 7.802
99 H ALA 14 H ALA 14 16.474 2.720 4.628
100 HA ALA 14 HA ALA 14 18.461 4.302 3.522
101 HB1 ALA 14 1HB ALA 14 17.636 3.704 1.450
102 HB2 ALA 14 2HB ALA 14 17.004 2.419 2.480
103 HB3 ALA 14 3HB ALA 14 15.957 3.750 1.987
104 H PHE 15 H PHE 15 15.340 5.202 4.667
105 HA PHE 15 HA PHE 15 14.971 7.558 3.141
106 HB2 PHE 15 1HB PHE 15 13.327 6.207 4.709
107 HB3 PHE 15 2HB PHE 15 13.904 7.342 5.925
108 HD1 PHE 15 HD2 PHE 15 13.674 9.823 5.445
109 HD2 PHE 15 HD1 PHE 15 11.673 6.820 3.188
110 HE1 PHE 15 HE2 PHE 15 12.070 11.504 4.636
111 HE2 PHE 15 HE1 PHE 15 10.066 8.497 2.375
112 HZ PHE 15 HZ PHE 15 10.263 10.842 3.100
113 H LYS 16 H LYS 16 16.867 6.809 5.942
114 HA LYS 16 HA LYS 16 17.221 9.501 6.836
115 HB2 LYS 16 1HB LYS 16 18.601 6.897 7.437
116 HB3 LYS 16 2HB LYS 16 19.207 8.418 8.079
117 HG2 LYS 16 1HG LYS 16 17.793 8.225 9.766
118 HG3 LYS 16 2HG LYS 16 16.452 8.372 8.627
119 HD2 LYS 16 1HD LYS 16 15.926 6.347 9.522
120 HD3 LYS 16 2HD LYS 16 17.015 5.798 8.246
121 HE2 LYS 16 1HE LYS 16 18.283 6.520 10.810
122 HE3 LYS 16 2HE LYS 16 17.253 5.090 10.836
123 HZ1 LYS 16 3HZ LYS 16 19.737 4.846 10.251
124 HZ2 LYS 16 1HZ LYS 16 19.278 5.407 8.722
125 HZ3 LYS 16 2HZ LYS 16 18.596 3.989 9.343
126 H VAL 17 H VAL 17 17.711 10.354 4.645
127 HA VAL 17 HA VAL 17 20.575 10.050 4.011
128 HB VAL 17 HB VAL 17 19.330 11.198 1.780
129 HG11 VAL 17 1HG1 VAL 17 19.964 8.279 1.955
130 HG12 VAL 17 2HG1 VAL 17 20.256 9.410 0.632
131 HG13 VAL 17 3HG1 VAL 17 21.247 9.482 2.091
132 HG21 VAL 17 3HG2 VAL 17 17.595 9.585 1.187
133 HG22 VAL 17 1HG2 VAL 17 17.771 8.808 2.760
134 HG23 VAL 17 2HG2 VAL 17 17.166 10.462 2.656
135 H ARG 18 H ARG 18 18.079 12.166 4.961
136 HA ARG 18 HA ARG 18 19.771 14.507 4.381
137 HB2 ARG 18 1HB ARG 18 17.318 14.253 3.458
138 HB3 ARG 18 2HB ARG 18 16.876 14.766 5.081
139 HG2 ARG 18 1HG ARG 18 18.927 16.403 3.755
140 HG3 ARG 18 2HG ARG 18 17.319 16.449 3.028
141 HD2 ARG 18 1HD ARG 18 17.823 16.874 5.966
142 HD3 ARG 18 2HD ARG 18 17.776 18.190 4.794
143 HE ARG 18 HE ARG 18 15.544 16.794 5.898
144 HH11 ARG 18 1HH1 ARG 18 16.690 18.473 3.072
145 HH12 ARG 18 2HH1 ARG 18 15.106 18.927 2.539
146 HH21 ARG 18 1HH2 ARG 18 13.452 17.386 5.207
147 HH22 ARG 18 2HH2 ARG 18 13.265 18.309 3.754
148 HA PRO 19 HA PRO 19 19.789 13.878 8.983
149 HB2 PRO 19 1HB PRO 19 22.451 14.326 9.269
150 HB3 PRO 19 2HB PRO 19 21.780 12.734 8.894
151 HG2 PRO 19 1HG PRO 19 23.007 14.753 7.056
152 HG3 PRO 19 2HG PRO 19 23.233 12.995 7.097
153 HD2 PRO 19 1HD PRO 19 21.593 14.212 5.319
154 HD3 PRO 19 2HD PRO 19 21.268 12.590 5.963
155 H THR 20 H THR 20 20.552 16.357 6.770
156 HA THR 20 HA THR 20 21.560 18.408 8.308
157 HB THR 20 HB THR 20 19.393 19.177 6.436
158 HG1 THR 20 HG1 THR 20 21.698 17.701 5.651
159 HG21 THR 20 3HG2 THR 20 22.002 20.139 5.775
160 HG22 THR 20 1HG2 THR 20 21.755 20.299 7.513
161 HG23 THR 20 2HG2 THR 20 20.615 21.038 6.389
162 H PHE 21 H PHE 21 18.333 17.087 8.272
163 HA PHE 21 HA PHE 21 16.991 19.208 9.553
164 HB2 PHE 21 1HB PHE 21 16.252 16.780 8.493
165 HB3 PHE 21 2HB PHE 21 16.010 16.525 10.219
166 HD1 PHE 21 HD2 PHE 21 14.401 17.890 11.461
167 HD2 PHE 21 HD1 PHE 21 14.863 18.268 7.247
168 HE1 PHE 21 HE2 PHE 21 12.252 19.082 11.335
169 HE2 PHE 21 HE1 PHE 21 12.716 19.461 7.114
170 HZ PHE 21 HZ PHE 21 11.407 19.869 9.160
171 H ALA 22 H ALA 22 18.379 16.207 10.877
172 HA ALA 22 HA ALA 22 17.896 16.987 13.591
173 HB1 ALA 22 1HB ALA 22 19.288 14.985 14.130
174 HB2 ALA 22 2HB ALA 22 17.907 14.654 13.083
175 HB3 ALA 22 3HB ALA 22 19.529 14.755 12.398
176 H ALA 23 H ALA 23 20.559 17.246 11.343
177 HA ALA 23 HA ALA 23 22.651 17.749 13.131
178 HB1 ALA 23 1HB ALA 23 23.043 17.299 10.780
179 HB2 ALA 23 2HB ALA 23 22.253 18.814 10.338
180 HB3 ALA 23 3HB ALA 23 23.771 18.840 11.237
181 H GLY 24 H GLY 24 20.421 20.013 11.526
182 HA2 GLY 24 1HA GLY 24 21.292 22.071 13.461
183 HA3 GLY 24 2HA GLY 24 20.762 22.435 11.826
184 H LEU 25 H LEU 25 19.130 20.031 13.740
185 HA LEU 25 HA LEU 25 16.589 21.037 13.366
186 HB2 LEU 25 1HB LEU 25 15.843 19.462 14.897
187 HB3 LEU 25 2HB LEU 25 17.347 18.771 14.292
188 HG LEU 25 HG LEU 25 18.310 19.997 16.455
189 HD11 LEU 25 1HD1 LEU 25 16.370 19.252 18.180
190 HD12 LEU 25 2HD1 LEU 25 15.398 19.872 16.845
191 HD13 LEU 25 3HD1 LEU 25 16.607 20.904 17.609
192 HD21 LEU 25 3HD2 LEU 25 18.766 17.743 16.222
193 HD22 LEU 25 1HD2 LEU 25 17.062 17.302 16.107
194 HD23 LEU 25 2HD2 LEU 25 17.749 17.768 17.664
195 H LEU 26 H LEU 26 18.979 21.930 15.742
196 HA LEU 26 HA LEU 26 17.305 23.268 17.565
197 HB2 LEU 26 1HB LEU 26 20.188 23.200 16.953
198 HB3 LEU 26 2HB LEU 26 19.613 24.652 17.771
199 HG LEU 26 HG LEU 26 18.730 23.257 19.593
200 HD11 LEU 26 1HD1 LEU 26 19.376 21.131 17.711
201 HD12 LEU 26 2HD1 LEU 26 18.273 21.134 19.086
202 HD13 LEU 26 3HD1 LEU 26 19.993 20.834 19.337
203 HD21 LEU 26 3HD2 LEU 26 20.910 24.165 19.907
204 HD22 LEU 26 1HD2 LEU 26 21.640 22.918 18.896
205 HD23 LEU 26 2HD2 LEU 26 20.952 22.491 20.463
206 H LEU 27 H LEU 27 16.296 25.172 17.484
207 HA LEU 27 HA LEU 27 17.201 27.222 15.612
208 HB2 LEU 27 1HB LEU 27 15.089 25.557 14.984
209 HB3 LEU 27 2HB LEU 27 14.301 26.992 15.637
210 HG LEU 27 HG LEU 27 16.144 28.031 13.865
211 HD11 LEU 27 1HD1 LEU 27 14.795 25.810 12.385
212 HD12 LEU 27 2HD1 LEU 27 16.373 25.562 13.131
213 HD13 LEU 27 3HD1 LEU 27 16.165 26.808 11.900
214 HD21 LEU 27 3HD2 LEU 27 13.782 28.700 14.268
215 HD22 LEU 27 1HD2 LEU 27 13.271 27.338 13.270
216 HD23 LEU 27 2HD2 LEU 27 14.225 28.641 12.561
217 H ARG 28 H ARG 28 15.818 29.274 15.931
218 HA ARG 28 HA ARG 28 15.232 29.582 18.803
219 HB2 ARG 28 1HB ARG 28 16.989 31.111 17.018
220 HB3 ARG 28 2HB ARG 28 15.887 32.110 17.957
221 HG2 ARG 28 1HG ARG 28 17.121 30.081 19.599
222 HG3 ARG 28 2HG ARG 28 18.325 31.080 18.783
223 HD2 ARG 28 1HD ARG 28 17.665 32.994 19.855
224 HD3 ARG 28 2HD ARG 28 16.009 32.428 20.073
225 HE ARG 28 HE ARG 28 18.157 32.140 21.907
226 HH11 ARG 28 1HH1 ARG 28 15.318 30.530 20.696
227 HH12 ARG 28 2HH1 ARG 28 15.052 29.625 22.149
228 HH21 ARG 28 1HH2 ARG 28 17.818 30.954 23.825
229 HH22 ARG 28 2HH2 ARG 28 16.474 29.867 23.929
Start of MODEL 3
1 H1 ASP 1 H ASP 1 2.659 -6.585 5.201
2 HA ASP 1 HA ASP 1 0.644 -6.599 3.067
3 HB2 ASP 1 1HB ASP 1 2.037 -4.509 4.189
4 HB3 ASP 1 2HB ASP 1 2.957 -4.830 2.721
5 H ILE 2 H ILE 2 1.693 -6.374 0.798
6 HA ILE 2 HA ILE 2 2.857 -8.768 0.089
7 HB ILE 2 HB ILE 2 3.173 -6.141 -1.367
8 HG12 ILE 2 1HG1 ILE 2 1.217 -7.982 -2.447
9 HG13 ILE 2 2HG1 ILE 2 0.842 -7.583 -0.774
10 HG21 ILE 2 1HG2 ILE 2 3.333 -7.671 -3.370
11 HG22 ILE 2 2HG2 ILE 2 4.720 -7.675 -2.283
12 HG23 ILE 2 3HG2 ILE 2 3.554 -8.996 -2.228
13 HD11 ILE 2 3HD1 ILE 2 0.341 -6.066 -3.093
14 HD12 ILE 2 1HD1 ILE 2 0.002 -5.646 -1.414
15 HD13 ILE 2 2HD1 ILE 2 1.543 -5.192 -2.143
16 H GLY 3 H GLY 3 4.433 -5.724 0.942
17 HA2 GLY 3 1HA GLY 3 6.886 -7.168 1.511
18 HA3 GLY 3 2HA GLY 3 6.999 -5.999 0.204
19 H MET 4 H MET 4 5.950 -6.277 3.592
20 HA MET 4 HA MET 4 6.280 -3.442 4.021
21 HB2 MET 4 1HB MET 4 4.863 -5.514 5.285
22 HB3 MET 4 2HB MET 4 6.055 -4.970 6.458
23 HG2 MET 4 1HG MET 4 5.159 -2.595 5.689
24 HG3 MET 4 2HG MET 4 3.726 -3.549 5.313
25 HE1 MET 4 3HE MET 4 2.130 -2.232 7.931
26 HE2 MET 4 1HE MET 4 2.090 -3.231 6.478
27 HE3 MET 4 2HE MET 4 1.853 -3.969 8.061
28 H GLY 5 H GLY 5 8.278 -6.184 4.100
29 HA2 GLY 5 1HA GLY 5 10.073 -5.308 6.162
30 HA3 GLY 5 2HA GLY 5 10.358 -6.606 5.012
31 H VAL 6 H VAL 6 9.651 -4.514 2.856
32 HA VAL 6 HA VAL 6 12.390 -3.682 2.433
33 HB VAL 6 HB VAL 6 10.804 -4.565 0.624
34 HG11 VAL 6 1HG1 VAL 6 9.186 -3.212 -0.299
35 HG12 VAL 6 2HG1 VAL 6 9.040 -2.803 1.412
36 HG13 VAL 6 3HG1 VAL 6 9.918 -1.732 0.319
37 HG21 VAL 6 3HG2 VAL 6 12.009 -3.471 -1.035
38 HG22 VAL 6 1HG2 VAL 6 12.051 -1.952 -0.140
39 HG23 VAL 6 2HG2 VAL 6 13.052 -3.308 0.378
40 H THR 7 H THR 7 9.337 -2.239 3.328
41 HA THR 7 HA THR 7 10.236 0.471 2.968
42 HB THR 7 HB THR 7 7.899 0.157 2.718
43 HG1 THR 7 HG1 THR 7 7.162 1.333 4.792
44 HG21 THR 7 3HG2 THR 7 6.507 -0.710 4.634
45 HG22 THR 7 1HG2 THR 7 8.011 -1.223 5.397
46 HG23 THR 7 2HG2 THR 7 7.531 -1.910 3.845
47 H TYR 8 H TYR 8 9.880 -1.775 5.664
48 HA TYR 8 HA TYR 8 10.497 0.126 7.692
49 HB2 TYR 8 1HB TYR 8 9.267 -2.039 8.050
50 HB3 TYR 8 2HB TYR 8 10.801 -2.877 7.845
51 HD1 TYR 8 HD1 TYR 8 12.566 -2.670 9.536
52 HD2 TYR 8 HD2 TYR 8 8.772 -0.820 10.067
53 HE1 TYR 8 HE1 TYR 8 13.056 -2.366 11.927
54 HE2 TYR 8 HE2 TYR 8 9.252 -0.510 12.460
55 HH TYR 8 HH TYR 8 12.395 -1.094 13.795
56 H LEU 9 H LEU 9 12.378 -1.480 5.382
57 HA LEU 9 HA LEU 9 14.831 -1.082 6.958
58 HB2 LEU 9 1HB LEU 9 13.965 -3.111 5.057
59 HB3 LEU 9 2HB LEU 9 15.558 -2.458 4.683
60 HG LEU 9 HG LEU 9 14.742 -3.745 7.288
61 HD11 LEU 9 1HD1 LEU 9 16.759 -4.803 5.348
62 HD12 LEU 9 2HD1 LEU 9 15.045 -5.171 5.160
63 HD13 LEU 9 3HD1 LEU 9 15.892 -5.647 6.631
64 HD21 LEU 9 3HD2 LEU 9 16.384 -2.124 7.792
65 HD22 LEU 9 1HD2 LEU 9 17.318 -2.511 6.347
66 HD23 LEU 9 2HD2 LEU 9 17.240 -3.663 7.681
67 H ALA 10 H ALA 10 13.134 -0.199 4.054
68 HA ALA 10 HA ALA 10 15.426 1.383 3.128
69 HB1 ALA 10 1HB ALA 10 14.321 1.540 1.011
70 HB2 ALA 10 2HB ALA 10 14.288 -0.147 1.526
71 HB3 ALA 10 3HB ALA 10 12.840 0.850 1.676
72 H LEU 11 H LEU 11 11.889 1.773 3.440
73 HA LEU 11 HA LEU 11 11.995 4.608 3.323
74 HB2 LEU 11 1HB LEU 11 9.906 2.597 4.040
75 HB3 LEU 11 2HB LEU 11 9.622 4.305 4.365
76 HG LEU 11 HG LEU 11 10.191 3.114 1.651
77 HD11 LEU 11 1HD1 LEU 11 7.675 4.237 1.633
78 HD12 LEU 11 2HD1 LEU 11 7.748 3.416 3.192
79 HD13 LEU 11 3HD1 LEU 11 8.047 2.515 1.706
80 HD21 LEU 11 3HD2 LEU 11 10.877 5.247 1.316
81 HD22 LEU 11 1HD2 LEU 11 9.951 5.877 2.679
82 HD23 LEU 11 2HD2 LEU 11 9.142 5.521 1.152
83 H LEU 12 H LEU 12 12.758 2.425 5.771
84 HA LEU 12 HA LEU 12 12.247 4.393 7.890
85 HB2 LEU 12 1HB LEU 12 11.993 1.583 7.764
86 HB3 LEU 12 2HB LEU 12 13.308 1.933 8.884
87 HG LEU 12 HG LEU 12 11.257 1.697 10.113
88 HD11 LEU 12 1HD1 LEU 12 12.976 3.653 10.508
89 HD12 LEU 12 2HD1 LEU 12 11.492 3.531 11.453
90 HD13 LEU 12 3HD1 LEU 12 11.583 4.652 10.095
91 HD21 LEU 12 3HD2 LEU 12 9.262 2.450 9.446
92 HD22 LEU 12 1HD2 LEU 12 10.034 2.731 7.885
93 HD23 LEU 12 2HD2 LEU 12 9.896 4.048 9.050
94 H ALA 13 H ALA 13 14.782 2.453 6.394
95 HA ALA 13 HA ALA 13 16.798 3.842 8.015
96 HB1 ALA 13 1HB ALA 13 18.063 1.996 7.916
97 HB2 ALA 13 2HB ALA 13 16.576 1.192 7.411
98 HB3 ALA 13 3HB ALA 13 17.734 1.745 6.201
99 H ALA 14 H ALA 14 16.483 2.720 4.638
100 HA ALA 14 HA ALA 14 18.451 4.302 3.520
101 HB1 ALA 14 1HB ALA 14 15.923 3.771 2.014
102 HB2 ALA 14 2HB ALA 14 17.593 3.730 1.449
103 HB3 ALA 14 3HB ALA 14 16.979 2.437 2.480
104 H PHE 15 H PHE 15 15.319 5.212 4.657
105 HA PHE 15 HA PHE 15 14.935 7.565 3.159
106 HB2 PHE 15 1HB PHE 15 13.322 6.261 4.764
107 HB3 PHE 15 2HB PHE 15 13.981 7.338 5.990
108 HD1 PHE 15 HD1 PHE 15 12.559 7.504 2.544
109 HD2 PHE 15 HD2 PHE 15 12.876 9.307 6.387
110 HE1 PHE 15 HE1 PHE 15 10.976 9.254 1.850
111 HE2 PHE 15 HE2 PHE 15 11.293 11.060 5.699
112 HZ PHE 15 HZ PHE 15 10.340 11.035 3.428
113 H LYS 16 H LYS 16 16.856 6.853 5.975
114 HA LYS 16 HA LYS 16 17.308 9.587 6.712
115 HB2 LYS 16 1HB LYS 16 18.603 6.985 7.510
116 HB3 LYS 16 2HB LYS 16 19.172 8.537 8.109
117 HG2 LYS 16 1HG LYS 16 17.694 8.357 9.746
118 HG3 LYS 16 2HG LYS 16 16.419 8.560 8.543
119 HD2 LYS 16 1HD LYS 16 15.740 6.558 9.349
120 HD3 LYS 16 2HD LYS 16 16.945 5.944 8.215
121 HE2 LYS 16 1HE LYS 16 17.830 4.899 9.981
122 HE3 LYS 16 2HE LYS 16 18.442 6.484 10.449
123 HZ1 LYS 16 3HZ LYS 16 17.317 5.543 12.304
124 HZ2 LYS 16 1HZ LYS 16 15.945 5.183 11.382
125 HZ3 LYS 16 2HZ LYS 16 16.343 6.793 11.712
126 H VAL 17 H VAL 17 18.679 7.390 4.445
127 HA VAL 17 HA VAL 17 21.226 8.688 4.212
128 HB VAL 17 HB VAL 17 19.922 6.887 2.173
129 HG11 VAL 17 1HG1 VAL 17 22.761 7.702 2.739
130 HG12 VAL 17 2HG1 VAL 17 22.347 6.309 1.738
131 HG13 VAL 17 3HG1 VAL 17 21.835 7.927 1.256
132 HG21 VAL 17 3HG2 VAL 17 21.581 6.126 4.576
133 HG22 VAL 17 1HG2 VAL 17 19.870 5.776 4.332
134 HG23 VAL 17 2HG2 VAL 17 21.080 5.027 3.291
135 H ARG 18 H ARG 18 18.125 9.501 3.231
136 HA ARG 18 HA ARG 18 18.668 10.685 0.707
137 HB2 ARG 18 1HB ARG 18 16.406 10.288 2.372
138 HB3 ARG 18 2HB ARG 18 16.502 12.010 2.026
139 HG2 ARG 18 1HG ARG 18 16.970 10.568 -0.385
140 HG3 ARG 18 2HG ARG 18 15.507 9.947 0.383
141 HD2 ARG 18 1HD ARG 18 15.872 12.893 0.244
142 HD3 ARG 18 2HD ARG 18 15.462 12.039 -1.243
143 HE ARG 18 HE ARG 18 13.668 11.124 0.609
144 HH11 ARG 18 1HH1 ARG 18 14.575 14.246 -0.637
145 HH12 ARG 18 2HH1 ARG 18 13.003 14.938 -0.410
146 HH21 ARG 18 1HH2 ARG 18 11.594 12.024 0.912
147 HH22 ARG 18 2HH2 ARG 18 11.308 13.674 0.472
148 HA PRO 19 HA PRO 19 18.874 14.844 3.152
149 HB2 PRO 19 1HB PRO 19 18.947 14.700 5.862
150 HB3 PRO 19 2HB PRO 19 17.439 14.804 4.946
151 HG2 PRO 19 1HG PRO 19 18.775 12.400 6.129
152 HG3 PRO 19 2HG PRO 19 17.057 12.841 6.133
153 HD2 PRO 19 1HD PRO 19 18.090 11.023 4.413
154 HD3 PRO 19 2HD PRO 19 16.725 12.076 3.985
155 H THR 20 H THR 20 20.628 12.014 3.958
156 HA THR 20 HA THR 20 22.805 12.993 5.377
157 HB THR 20 HB THR 20 22.772 10.808 3.286
158 HG1 THR 20 HG1 THR 20 22.253 10.909 6.061
159 HG21 THR 20 3HG2 THR 20 24.743 10.125 5.007
160 HG22 THR 20 1HG2 THR 20 24.909 11.880 5.014
161 HG23 THR 20 2HG2 THR 20 25.017 10.991 3.495
162 H PHE 21 H PHE 21 21.955 13.417 2.047
163 HA PHE 21 HA PHE 21 24.524 14.100 1.058
164 HB2 PHE 21 1HB PHE 21 22.038 13.684 -0.060
165 HB3 PHE 21 2HB PHE 21 22.273 15.416 -0.274
166 HD1 PHE 21 HD2 PHE 21 24.722 16.041 -1.144
167 HD2 PHE 21 HD1 PHE 21 22.763 12.309 -1.738
168 HE1 PHE 21 HE2 PHE 21 26.152 15.606 -3.098
169 HE2 PHE 21 HE1 PHE 21 24.191 11.867 -3.693
170 HZ PHE 21 HZ PHE 21 25.887 13.517 -4.376
171 H ALA 22 H ALA 22 21.763 16.095 2.092
172 HA ALA 22 HA ALA 22 23.250 18.540 1.850
173 HB1 ALA 22 1HB ALA 22 20.615 18.095 3.244
174 HB2 ALA 22 2HB ALA 22 21.276 19.628 2.673
175 HB3 ALA 22 3HB ALA 22 20.791 18.390 1.514
176 H ALA 23 H ALA 23 22.538 16.256 4.388
177 HA ALA 23 HA ALA 23 23.097 17.852 6.626
178 HB1 ALA 23 1HB ALA 23 23.089 15.899 7.869
179 HB2 ALA 23 2HB ALA 23 22.101 15.466 6.473
180 HB3 ALA 23 3HB ALA 23 23.783 14.941 6.561
181 H GLY 24 H GLY 24 25.221 15.798 4.650
182 HA2 GLY 24 1HA GLY 24 27.526 17.099 5.965
183 HA3 GLY 24 2HA GLY 24 27.553 15.442 5.381
184 H LEU 25 H LEU 25 26.005 17.970 3.553
185 HA LEU 25 HA LEU 25 27.326 17.421 1.179
186 HB2 LEU 25 1HB LEU 25 26.271 19.281 0.282
187 HB3 LEU 25 2HB LEU 25 25.211 18.801 1.605
188 HG LEU 25 HG LEU 25 26.686 20.615 2.897
189 HD11 LEU 25 1HD1 LEU 25 26.761 22.553 1.122
190 HD12 LEU 25 2HD1 LEU 25 26.990 21.213 -0.001
191 HD13 LEU 25 3HD1 LEU 25 28.123 21.451 1.329
192 HD21 LEU 25 3HD2 LEU 25 24.108 20.485 1.720
193 HD22 LEU 25 1HD2 LEU 25 24.747 22.108 1.457
194 HD23 LEU 25 2HD2 LEU 25 24.644 21.456 3.092
195 H LEU 26 H LEU 26 28.281 19.445 3.844
196 HA LEU 26 HA LEU 26 30.230 21.007 2.559
197 HB2 LEU 26 1HB LEU 26 29.563 20.266 5.330
198 HB3 LEU 26 2HB LEU 26 31.235 20.753 5.057
199 HG LEU 26 HG LEU 26 30.438 22.896 4.140
200 HD11 LEU 26 1HD1 LEU 26 27.912 21.520 4.191
201 HD12 LEU 26 2HD1 LEU 26 28.349 23.040 3.411
202 HD13 LEU 26 3HD1 LEU 26 27.819 23.034 5.092
203 HD21 LEU 26 3HD2 LEU 26 31.043 22.915 6.429
204 HD22 LEU 26 1HD2 LEU 26 29.543 22.119 6.906
205 HD23 LEU 26 2HD2 LEU 26 29.510 23.781 6.314
206 H LEU 27 H LEU 27 30.226 17.703 3.580
207 HA LEU 27 HA LEU 27 33.085 17.395 3.569
208 HB2 LEU 27 1HB LEU 27 31.008 15.962 4.613
209 HB3 LEU 27 2HB LEU 27 31.458 14.985 3.217
210 HG LEU 27 HG LEU 27 32.583 14.144 5.163
211 HD11 LEU 27 1HD1 LEU 27 34.964 15.386 4.143
212 HD12 LEU 27 2HD1 LEU 27 33.870 14.975 2.823
213 HD13 LEU 27 3HD1 LEU 27 34.394 13.727 3.954
214 HD21 LEU 27 3HD2 LEU 27 32.606 15.932 6.677
215 HD22 LEU 27 1HD2 LEU 27 33.422 17.003 5.537
216 HD23 LEU 27 2HD2 LEU 27 34.304 15.667 6.278
217 H ARG 28 H ARG 28 30.471 16.167 1.473
218 HA ARG 28 HA ARG 28 32.236 15.205 -0.528
219 HB2 ARG 28 1HB ARG 28 29.421 15.208 -0.034
220 HB3 ARG 28 2HB ARG 28 29.699 15.776 -1.674
221 HG2 ARG 28 1HG ARG 28 30.995 13.280 -0.640
222 HG3 ARG 28 2HG ARG 28 29.364 13.273 -1.313
223 HD2 ARG 28 1HD ARG 28 31.545 14.574 -2.866
224 HD3 ARG 28 2HD ARG 28 31.478 12.813 -2.822
225 HE ARG 28 HE ARG 28 29.681 14.585 -4.200
226 HH11 ARG 28 1HH1 ARG 28 30.073 11.428 -2.787
227 HH12 ARG 28 2HH1 ARG 28 28.839 10.696 -3.759
228 HH21 ARG 28 1HH2 ARG 28 28.054 13.633 -5.486
229 HH22 ARG 28 2HH2 ARG 28 27.692 11.951 -5.294
Start of MODEL 4
1 H1 ASP 1 H ASP 1 2.944 -7.142 5.327
2 HA ASP 1 HA ASP 1 0.730 -7.422 3.429
3 HB2 ASP 1 1HB ASP 1 1.843 -5.183 4.535
4 HB3 ASP 1 2HB ASP 1 2.680 -5.263 2.988
5 H ILE 2 H ILE 2 1.662 -6.595 1.099
6 HA ILE 2 HA ILE 2 2.887 -8.777 -0.053
7 HB ILE 2 HB ILE 2 3.028 -5.923 -1.033
8 HG12 ILE 2 1HG1 ILE 2 1.141 -7.404 -2.494
9 HG13 ILE 2 2HG1 ILE 2 0.847 -7.807 -0.806
10 HG21 ILE 2 1HG2 ILE 2 4.642 -7.303 -2.177
11 HG22 ILE 2 2HG2 ILE 2 3.421 -8.539 -2.479
12 HG23 ILE 2 3HG2 ILE 2 3.293 -6.964 -3.261
13 HD11 ILE 2 3HD1 ILE 2 1.181 -4.949 -1.531
14 HD12 ILE 2 1HD1 ILE 2 -0.325 -5.761 -1.961
15 HD13 ILE 2 2HD1 ILE 2 0.191 -5.693 -0.275
16 H GLY 3 H GLY 3 4.403 -5.766 1.067
17 HA2 GLY 3 1HA GLY 3 6.886 -7.166 1.540
18 HA3 GLY 3 2HA GLY 3 6.966 -6.001 0.227
19 H MET 4 H MET 4 5.929 -6.255 3.623
20 HA MET 4 HA MET 4 6.280 -3.420 4.033
21 HB2 MET 4 1HB MET 4 4.835 -5.454 5.302
22 HB3 MET 4 2HB MET 4 6.052 -4.962 6.472
23 HG2 MET 4 1HG MET 4 4.036 -3.699 6.810
24 HG3 MET 4 2HG MET 4 5.317 -2.634 6.234
25 HE1 MET 4 3HE MET 4 2.540 -0.768 4.638
26 HE2 MET 4 1HE MET 4 1.817 -1.869 5.812
27 HE3 MET 4 2HE MET 4 3.369 -1.106 6.158
28 H GLY 5 H GLY 5 8.266 -6.169 4.122
29 HA2 GLY 5 1HA GLY 5 10.070 -5.293 6.175
30 HA3 GLY 5 2HA GLY 5 10.348 -6.594 5.028
31 H VAL 6 H VAL 6 9.646 -4.512 2.864
32 HA VAL 6 HA VAL 6 12.385 -3.687 2.435
33 HB VAL 6 HB VAL 6 10.792 -4.571 0.633
34 HG11 VAL 6 1HG1 VAL 6 9.037 -2.800 1.416
35 HG12 VAL 6 2HG1 VAL 6 9.917 -1.735 0.318
36 HG13 VAL 6 3HG1 VAL 6 9.177 -3.215 -0.292
37 HG21 VAL 6 3HG2 VAL 6 11.996 -3.486 -1.034
38 HG22 VAL 6 1HG2 VAL 6 12.052 -1.967 -0.140
39 HG23 VAL 6 2HG2 VAL 6 13.045 -3.330 0.376
40 H THR 7 H THR 7 9.337 -2.232 3.330
41 HA THR 7 HA THR 7 10.244 0.474 2.960
42 HB THR 7 HB THR 7 7.907 0.166 2.711
43 HG1 THR 7 HG1 THR 7 7.108 1.456 4.560
44 HG21 THR 7 3HG2 THR 7 7.533 -1.895 3.846
45 HG22 THR 7 1HG2 THR 7 6.511 -0.691 4.628
46 HG23 THR 7 2HG2 THR 7 8.014 -1.204 5.395
47 H TYR 8 H TYR 8 9.884 -1.764 5.661
48 HA TYR 8 HA TYR 8 10.506 0.142 7.685
49 HB2 TYR 8 1HB TYR 8 9.269 -2.020 8.047
50 HB3 TYR 8 2HB TYR 8 10.801 -2.862 7.848
51 HD1 TYR 8 HD1 TYR 8 12.563 -2.656 9.542
52 HD2 TYR 8 HD2 TYR 8 8.775 -0.788 10.059
53 HE1 TYR 8 HE1 TYR 8 13.050 -2.344 11.932
54 HE2 TYR 8 HE2 TYR 8 9.252 -0.470 12.451
55 HH TYR 8 HH TYR 8 12.344 -0.878 13.779
56 H LEU 9 H LEU 9 12.382 -1.471 5.378
57 HA LEU 9 HA LEU 9 14.836 -1.077 6.953
58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061
59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685
60 HG LEU 9 HG LEU 9 14.738 -3.737 7.296
61 HD11 LEU 9 1HD1 LEU 9 15.932 -5.636 6.651
62 HD12 LEU 9 2HD1 LEU 9 16.725 -4.800 5.317
63 HD13 LEU 9 3HD1 LEU 9 15.010 -5.199 5.212
64 HD21 LEU 9 3HD2 LEU 9 17.251 -3.669 7.665
65 HD22 LEU 9 1HD2 LEU 9 16.385 -2.139 7.812
66 HD23 LEU 9 2HD2 LEU 9 17.306 -2.494 6.350
67 H ALA 10 H ALA 10 13.141 -0.202 4.046
68 HA ALA 10 HA ALA 10 15.438 1.369 3.112
69 HB1 ALA 10 1HB ALA 10 14.336 1.517 0.993
70 HB2 ALA 10 2HB ALA 10 14.292 -0.167 1.518
71 HB3 ALA 10 3HB ALA 10 12.851 0.839 1.661
72 H LEU 11 H LEU 11 11.903 1.766 3.439
73 HA LEU 11 HA LEU 11 12.021 4.603 3.307
74 HB2 LEU 11 1HB LEU 11 9.919 2.603 4.023
75 HB3 LEU 11 2HB LEU 11 9.642 4.316 4.335
76 HG LEU 11 HG LEU 11 10.216 3.100 1.633
77 HD11 LEU 11 1HD1 LEU 11 7.709 3.742 3.094
78 HD12 LEU 11 2HD1 LEU 11 8.066 2.420 1.984
79 HD13 LEU 11 3HD1 LEU 11 7.769 4.042 1.357
80 HD21 LEU 11 3HD2 LEU 11 9.678 5.909 2.554
81 HD22 LEU 11 1HD2 LEU 11 9.406 5.393 0.889
82 HD23 LEU 11 2HD2 LEU 11 11.024 5.306 1.585
83 H LEU 12 H LEU 12 12.778 2.425 5.756
84 HA LEU 12 HA LEU 12 12.263 4.398 7.871
85 HB2 LEU 12 1HB LEU 12 11.992 1.589 7.750
86 HB3 LEU 12 2HB LEU 12 13.305 1.933 8.875
87 HG LEU 12 HG LEU 12 11.491 3.640 9.833
88 HD11 LEU 12 1HD1 LEU 12 9.978 2.480 7.916
89 HD12 LEU 12 2HD1 LEU 12 9.336 3.182 9.401
90 HD13 LEU 12 3HD1 LEU 12 9.615 1.444 9.297
91 HD21 LEU 12 3HD2 LEU 12 11.860 0.712 10.380
92 HD22 LEU 12 1HD2 LEU 12 10.778 1.709 11.353
93 HD23 LEU 12 2HD2 LEU 12 12.497 2.095 11.273
94 H ALA 13 H ALA 13 14.791 2.453 6.377
95 HA ALA 13 HA ALA 13 16.810 3.827 8.008
96 HB1 ALA 13 1HB ALA 13 16.587 1.187 7.459
97 HB2 ALA 13 2HB ALA 13 17.691 1.698 6.182
98 HB3 ALA 13 3HB ALA 13 18.102 1.991 7.872
99 H ALA 14 H ALA 14 16.474 2.720 4.628
100 HA ALA 14 HA ALA 14 18.462 4.302 3.523
101 HB1 ALA 14 1HB ALA 14 15.957 3.751 1.988
102 HB2 ALA 14 2HB ALA 14 17.637 3.703 1.451
103 HB3 ALA 14 3HB ALA 14 17.004 2.420 2.481
104 H PHE 15 H PHE 15 15.341 5.202 4.668
105 HA PHE 15 HA PHE 15 14.971 7.557 3.141
106 HB2 PHE 15 1HB PHE 15 13.327 6.206 4.708
107 HB3 PHE 15 2HB PHE 15 13.903 7.342 5.924
108 HD1 PHE 15 HD1 PHE 15 12.457 7.235 2.498
109 HD2 PHE 15 HD2 PHE 15 12.888 9.406 6.134
110 HE1 PHE 15 HE1 PHE 15 10.852 8.912 1.683
111 HE2 PHE 15 HE2 PHE 15 11.283 11.085 5.325
112 HZ PHE 15 HZ PHE 15 10.262 10.840 3.097
113 H LYS 16 H LYS 16 16.866 6.808 5.942
114 HA LYS 16 HA LYS 16 17.219 9.501 6.837
115 HB2 LYS 16 1HB LYS 16 18.600 6.897 7.438
116 HB3 LYS 16 2HB LYS 16 19.206 8.418 8.080
117 HG2 LYS 16 1HG LYS 16 17.791 8.226 9.767
118 HG3 LYS 16 2HG LYS 16 16.451 8.372 8.627
119 HD2 LYS 16 1HD LYS 16 15.924 6.347 9.523
120 HD3 LYS 16 2HD LYS 16 17.013 5.799 8.246
121 HE2 LYS 16 1HE LYS 16 18.717 5.330 9.716
122 HE3 LYS 16 2HE LYS 16 18.153 6.500 10.909
123 HZ1 LYS 16 3HZ LYS 16 16.402 4.236 10.368
124 HZ2 LYS 16 1HZ LYS 16 16.739 5.021 11.828
125 HZ3 LYS 16 2HZ LYS 16 17.836 3.898 11.199
126 H VAL 17 H VAL 17 17.709 10.354 4.646
127 HA VAL 17 HA VAL 17 20.573 10.052 4.013
128 HB VAL 17 HB VAL 17 19.328 11.199 1.781
129 HG11 VAL 17 1HG1 VAL 17 19.964 8.280 1.957
130 HG12 VAL 17 2HG1 VAL 17 20.256 9.411 0.634
131 HG13 VAL 17 3HG1 VAL 17 21.246 9.483 2.093
132 HG21 VAL 17 3HG2 VAL 17 17.594 9.586 1.188
133 HG22 VAL 17 1HG2 VAL 17 17.770 8.808 2.761
134 HG23 VAL 17 2HG2 VAL 17 17.165 10.462 2.657
135 H ARG 18 H ARG 18 18.076 12.166 4.961
136 HA ARG 18 HA ARG 18 19.110 14.606 3.950
137 HB2 ARG 18 1HB ARG 18 16.869 13.775 5.473
138 HB3 ARG 18 2HB ARG 18 17.695 15.015 6.408
139 HG2 ARG 18 1HG ARG 18 17.118 15.466 3.514
140 HG3 ARG 18 2HG ARG 18 15.849 15.686 4.720
141 HD2 ARG 18 1HD ARG 18 17.738 17.091 5.924
142 HD3 ARG 18 2HD ARG 18 18.348 17.237 4.277
143 HE ARG 18 HE ARG 18 15.674 17.874 4.144
144 HH11 ARG 18 1HH1 ARG 18 18.480 19.074 5.818
145 HH12 ARG 18 2HH1 ARG 18 17.907 20.708 5.877
146 HH21 ARG 18 1HH2 ARG 18 14.908 20.021 4.215
147 HH22 ARG 18 2HH2 ARG 18 15.875 21.246 4.966
148 HA PRO 19 HA PRO 19 21.036 15.168 8.343
149 HB2 PRO 19 1HB PRO 19 21.018 13.018 10.001
150 HB3 PRO 19 2HB PRO 19 19.704 14.199 9.945
151 HG2 PRO 19 1HG PRO 19 19.884 11.505 8.653
152 HG3 PRO 19 2HG PRO 19 18.516 12.250 9.499
153 HD2 PRO 19 1HD PRO 19 18.695 12.180 6.799
154 HD3 PRO 19 2HD PRO 19 17.909 13.513 7.669
155 H THR 20 H THR 20 21.454 12.512 6.277
156 HA THR 20 HA THR 20 23.870 11.428 7.253
157 HB THR 20 HB THR 20 22.834 11.502 4.412
158 HG1 THR 20 HG1 THR 20 22.277 9.255 5.061
159 HG21 THR 20 3HG2 THR 20 24.296 9.463 4.170
160 HG22 THR 20 1HG2 THR 20 25.035 9.901 5.710
161 HG23 THR 20 2HG2 THR 20 25.161 10.992 4.329
162 H PHE 21 H PHE 21 23.147 14.301 5.466
163 HA PHE 21 HA PHE 21 25.766 14.706 4.396
164 HB2 PHE 21 1HB PHE 21 23.282 15.845 3.981
165 HB3 PHE 21 2HB PHE 21 24.175 17.125 4.795
166 HD1 PHE 21 HD2 PHE 21 26.843 16.938 3.809
167 HD2 PHE 21 HD1 PHE 21 23.184 16.290 1.734
168 HE1 PHE 21 HE2 PHE 21 27.947 17.516 1.688
169 HE2 PHE 21 HE1 PHE 21 24.282 16.867 -0.390
170 HZ PHE 21 HZ PHE 21 26.667 17.482 -0.416
171 H ALA 22 H ALA 22 23.984 16.113 7.135
172 HA ALA 22 HA ALA 22 26.241 17.622 8.052
173 HB1 ALA 22 1HB ALA 22 24.738 17.868 10.130
174 HB2 ALA 22 2HB ALA 22 24.200 18.587 8.611
175 HB3 ALA 22 3HB ALA 22 23.513 17.056 9.154
176 H ALA 23 H ALA 23 24.795 14.517 8.844
177 HA ALA 23 HA ALA 23 26.143 13.995 11.240
178 HB1 ALA 23 1HB ALA 23 24.262 12.654 10.490
179 HB2 ALA 23 2HB ALA 23 25.213 12.047 9.134
180 HB3 ALA 23 3HB ALA 23 25.669 11.631 10.786
181 H GLY 24 H GLY 24 27.071 13.339 7.879
182 HA2 GLY 24 1HA GLY 24 29.777 12.666 8.861
183 HA3 GLY 24 2HA GLY 24 29.066 11.974 7.410
184 H LEU 25 H LEU 25 28.623 15.340 8.148
185 HA LEU 25 HA LEU 25 29.501 16.261 5.685
186 HB2 LEU 25 1HB LEU 25 29.248 18.411 6.516
187 HB3 LEU 25 2HB LEU 25 28.149 17.454 7.507
188 HG LEU 25 HG LEU 25 30.287 17.395 9.102
189 HD11 LEU 25 1HD1 LEU 25 31.851 18.640 7.946
190 HD12 LEU 25 2HD1 LEU 25 31.140 19.842 9.023
191 HD13 LEU 25 3HD1 LEU 25 30.648 19.775 7.330
192 HD21 LEU 25 3HD2 LEU 25 27.994 19.246 8.826
193 HD22 LEU 25 1HD2 LEU 25 29.264 19.705 9.961
194 HD23 LEU 25 2HD2 LEU 25 28.428 18.163 10.149
195 H LEU 26 H LEU 26 31.312 15.522 8.563
196 HA LEU 26 HA LEU 26 33.669 16.944 7.987
197 HB2 LEU 26 1HB LEU 26 32.890 14.713 9.752
198 HB3 LEU 26 2HB LEU 26 34.603 14.816 9.352
199 HG LEU 26 HG LEU 26 34.663 17.101 10.255
200 HD11 LEU 26 1HD1 LEU 26 32.736 18.213 10.331
201 HD12 LEU 26 2HD1 LEU 26 32.392 17.306 11.804
202 HD13 LEU 26 3HD1 LEU 26 31.782 16.731 10.252
203 HD21 LEU 26 3HD2 LEU 26 33.574 14.987 12.109
204 HD22 LEU 26 1HD2 LEU 26 34.342 16.485 12.634
205 HD23 LEU 26 2HD2 LEU 26 35.268 15.292 11.722
206 H LEU 27 H LEU 27 32.368 13.999 6.721
207 HA LEU 27 HA LEU 27 34.783 12.889 5.724
208 HB2 LEU 27 1HB LEU 27 32.366 11.883 6.036
209 HB3 LEU 27 2HB LEU 27 32.178 12.408 4.365
210 HG LEU 27 HG LEU 27 34.393 10.580 5.270
211 HD11 LEU 27 1HD1 LEU 27 31.692 9.854 4.147
212 HD12 LEU 27 2HD1 LEU 27 32.281 9.501 5.771
213 HD13 LEU 27 3HD1 LEU 27 33.041 8.740 4.373
214 HD21 LEU 27 3HD2 LEU 27 35.125 11.024 3.213
215 HD22 LEU 27 1HD2 LEU 27 33.631 11.853 2.776
216 HD23 LEU 27 2HD2 LEU 27 33.742 10.099 2.627
217 H ARG 28 H ARG 28 32.369 15.082 4.383
218 HA ARG 28 HA ARG 28 34.047 15.391 1.984
219 HB2 ARG 28 1HB ARG 28 31.213 15.121 2.336
220 HB3 ARG 28 2HB ARG 28 31.558 16.688 1.616
221 HG2 ARG 28 1HG ARG 28 33.107 15.229 0.050
222 HG3 ARG 28 2HG ARG 28 31.974 13.962 0.525
223 HD2 ARG 28 1HD ARG 28 30.148 15.084 -0.408
224 HD3 ARG 28 2HD ARG 28 31.008 16.622 -0.464
225 HE ARG 28 HE ARG 28 32.330 14.763 -2.105
226 HH11 ARG 28 1HH1 ARG 28 29.379 16.606 -1.962
227 HH12 ARG 28 2HH1 ARG 28 29.196 16.690 -3.683
228 HH21 ARG 28 1HH2 ARG 28 32.099 14.867 -4.372
229 HH22 ARG 28 2HH2 ARG 28 30.743 15.700 -5.052
Start of MODEL 5
1 H1 ASP 1 H ASP 1 2.671 -6.578 5.190
2 HA ASP 1 HA ASP 1 0.647 -6.579 3.064
3 HB2 ASP 1 1HB ASP 1 2.041 -4.495 4.191
4 HB3 ASP 1 2HB ASP 1 2.965 -4.812 2.726
5 H ILE 2 H ILE 2 1.683 -6.347 0.791
6 HA ILE 2 HA ILE 2 2.841 -8.738 0.066
7 HB ILE 2 HB ILE 2 3.226 -6.131 -1.407
8 HG12 ILE 2 1HG1 ILE 2 1.123 -7.674 -2.519
9 HG13 ILE 2 2HG1 ILE 2 0.825 -7.572 -0.787
10 HG21 ILE 2 1HG2 ILE 2 4.624 -7.838 -2.315
11 HG22 ILE 2 2HG2 ILE 2 3.309 -9.011 -2.282
12 HG23 ILE 2 3HG2 ILE 2 3.245 -7.647 -3.398
13 HD11 ILE 2 3HD1 ILE 2 0.525 -5.306 -0.835
14 HD12 ILE 2 1HD1 ILE 2 1.516 -5.094 -2.279
15 HD13 ILE 2 2HD1 ILE 2 -0.110 -5.764 -2.415
16 H GLY 3 H GLY 3 4.411 -5.728 1.004
17 HA2 GLY 3 1HA GLY 3 6.866 -7.163 1.534
18 HA3 GLY 3 2HA GLY 3 6.982 -5.999 0.223
19 H MET 4 H MET 4 5.937 -6.263 3.613
20 HA MET 4 HA MET 4 6.276 -3.427 4.033
21 HB2 MET 4 1HB MET 4 4.852 -5.488 5.304
22 HB3 MET 4 2HB MET 4 6.051 -4.952 6.473
23 HG2 MET 4 1HG MET 4 5.103 -2.578 5.570
24 HG3 MET 4 2HG MET 4 3.667 -3.593 5.452
25 HE1 MET 4 3HE MET 4 6.524 -2.318 7.797
26 HE2 MET 4 1HE MET 4 5.263 -1.102 7.586
27 HE3 MET 4 2HE MET 4 5.530 -1.830 9.170
28 H GLY 5 H GLY 5 8.266 -6.175 4.118
29 HA2 GLY 5 1HA GLY 5 10.067 -5.298 6.174
30 HA3 GLY 5 2HA GLY 5 10.347 -6.600 5.027
31 H VAL 6 H VAL 6 9.641 -4.509 2.867
32 HA VAL 6 HA VAL 6 12.381 -3.687 2.436
33 HB VAL 6 HB VAL 6 10.789 -4.570 0.633
34 HG11 VAL 6 1HG1 VAL 6 9.033 -2.802 1.418
35 HG12 VAL 6 2HG1 VAL 6 9.912 -1.735 0.321
36 HG13 VAL 6 3HG1 VAL 6 9.173 -3.216 -0.290
37 HG21 VAL 6 3HG2 VAL 6 13.040 -3.336 0.371
38 HG22 VAL 6 1HG2 VAL 6 11.984 -3.473 -1.035
39 HG23 VAL 6 2HG2 VAL 6 12.054 -1.962 -0.129
40 H THR 7 H THR 7 9.333 -2.233 3.333
41 HA THR 7 HA THR 7 10.239 0.473 2.964
42 HB THR 7 HB THR 7 7.902 0.165 2.719
43 HG1 THR 7 HG1 THR 7 7.139 1.383 4.712
44 HG21 THR 7 3HG2 THR 7 8.014 -1.209 5.400
45 HG22 THR 7 1HG2 THR 7 7.531 -1.899 3.851
46 HG23 THR 7 2HG2 THR 7 6.509 -0.695 4.637
47 H TYR 8 H TYR 8 9.882 -1.765 5.666
48 HA TYR 8 HA TYR 8 10.507 0.140 7.689
49 HB2 TYR 8 1HB TYR 8 9.271 -2.021 8.054
50 HB3 TYR 8 2HB TYR 8 10.802 -2.864 7.849
51 HD1 TYR 8 HD1 TYR 8 12.572 -2.657 9.536
52 HD2 TYR 8 HD2 TYR 8 8.783 -0.797 10.070
53 HE1 TYR 8 HE1 TYR 8 13.067 -2.348 11.925
54 HE2 TYR 8 HE2 TYR 8 9.268 -0.481 12.461
55 HH TYR 8 HH TYR 8 12.305 -1.647 13.888
56 H LEU 9 H LEU 9 12.380 -1.479 5.382
57 HA LEU 9 HA LEU 9 14.836 -1.084 6.953
58 HB2 LEU 9 1HB LEU 9 13.962 -3.115 5.058
59 HB3 LEU 9 2HB LEU 9 15.557 -2.467 4.681
60 HG LEU 9 HG LEU 9 14.738 -3.745 7.289
61 HD11 LEU 9 1HD1 LEU 9 15.908 -5.647 6.638
62 HD12 LEU 9 2HD1 LEU 9 16.739 -4.808 5.329
63 HD13 LEU 9 3HD1 LEU 9 15.023 -5.189 5.182
64 HD21 LEU 9 3HD2 LEU 9 17.366 -3.698 7.453
65 HD22 LEU 9 1HD2 LEU 9 16.393 -2.320 7.968
66 HD23 LEU 9 2HD2 LEU 9 17.181 -2.302 6.391
67 H ALA 10 H ALA 10 13.138 -0.203 4.049
68 HA ALA 10 HA ALA 10 15.433 1.371 3.116
69 HB1 ALA 10 1HB ALA 10 14.288 -0.163 1.521
70 HB2 ALA 10 2HB ALA 10 12.845 0.841 1.667
71 HB3 ALA 10 3HB ALA 10 14.328 1.522 0.998
72 H LEU 11 H LEU 11 11.897 1.770 3.429
73 HA LEU 11 HA LEU 11 12.009 4.603 3.304
74 HB2 LEU 11 1HB LEU 11 9.916 2.599 4.029
75 HB3 LEU 11 2HB LEU 11 9.636 4.309 4.350
76 HG LEU 11 HG LEU 11 10.198 3.107 1.639
77 HD11 LEU 11 1HD1 LEU 11 7.718 3.629 3.151
78 HD12 LEU 11 2HD1 LEU 11 8.056 2.442 1.891
79 HD13 LEU 11 3HD1 LEU 11 7.725 4.119 1.456
80 HD21 LEU 11 3HD2 LEU 11 10.396 5.776 2.607
81 HD22 LEU 11 1HD2 LEU 11 9.015 5.675 1.514
82 HD23 LEU 11 2HD2 LEU 11 10.615 5.177 0.962
83 H LEU 12 H LEU 12 12.773 2.427 5.757
84 HA LEU 12 HA LEU 12 12.268 4.403 7.870
85 HB2 LEU 12 1HB LEU 12 12.008 1.592 7.753
86 HB3 LEU 12 2HB LEU 12 13.322 1.945 8.873
87 HG LEU 12 HG LEU 12 11.589 3.600 9.924
88 HD11 LEU 12 1HD1 LEU 12 9.361 3.229 9.554
89 HD12 LEU 12 2HD1 LEU 12 9.614 1.580 8.984
90 HD13 LEU 12 3HD1 LEU 12 10.005 2.944 7.937
91 HD21 LEU 12 3HD2 LEU 12 10.674 1.625 11.265
92 HD22 LEU 12 1HD2 LEU 12 12.423 1.851 11.238
93 HD23 LEU 12 2HD2 LEU 12 11.678 0.614 10.225
94 H ALA 13 H ALA 13 14.796 2.440 6.390
95 HA ALA 13 HA ALA 13 16.818 3.829 8.002
96 HB1 ALA 13 1HB ALA 13 18.163 2.020 7.800
97 HB2 ALA 13 2HB ALA 13 16.621 1.204 7.535
98 HB3 ALA 13 3HB ALA 13 17.624 1.663 6.159
99 H ALA 14 H ALA 14 16.487 2.711 4.626
100 HA ALA 14 HA ALA 14 18.462 4.289 3.507
101 HB1 ALA 14 1HB ALA 14 17.611 3.709 1.437
102 HB2 ALA 14 2HB ALA 14 16.993 2.419 2.470
103 HB3 ALA 14 3HB ALA 14 15.938 3.751 1.997
104 H PHE 15 H PHE 15 15.338 5.201 4.652
105 HA PHE 15 HA PHE 15 14.971 7.560 3.142
106 HB2 PHE 15 1HB PHE 15 13.332 6.234 4.716
107 HB3 PHE 15 2HB PHE 15 13.951 7.330 5.946
108 HD1 PHE 15 HD1 PHE 15 12.109 7.118 2.769
109 HD2 PHE 15 HD2 PHE 15 13.316 9.619 5.994
110 HE1 PHE 15 HE1 PHE 15 10.523 8.843 2.019
111 HE2 PHE 15 HE2 PHE 15 11.731 11.348 5.251
112 HZ PHE 15 HZ PHE 15 10.332 10.961 3.261
113 H LYS 16 H LYS 16 16.813 6.828 6.010
114 HA LYS 16 HA LYS 16 17.222 9.507 6.866
115 HB2 LYS 16 1HB LYS 16 18.618 6.902 7.431
116 HB3 LYS 16 2HB LYS 16 19.230 8.422 8.072
117 HG2 LYS 16 1HG LYS 16 17.849 8.197 9.784
118 HG3 LYS 16 2HG LYS 16 16.492 8.380 8.671
119 HD2 LYS 16 1HD LYS 16 15.949 6.344 9.516
120 HD3 LYS 16 2HD LYS 16 17.039 5.802 8.238
121 HE2 LYS 16 1HE LYS 16 17.824 6.295 11.109
122 HE3 LYS 16 2HE LYS 16 17.495 4.714 10.402
123 HZ1 LYS 16 3HZ LYS 16 19.318 5.207 8.790
124 HZ2 LYS 16 1HZ LYS 16 19.827 5.024 10.393
125 HZ3 LYS 16 2HZ LYS 16 19.704 6.569 9.717
126 H VAL 17 H VAL 17 18.369 7.798 4.210
127 HA VAL 17 HA VAL 17 20.986 8.927 4.015
128 HB VAL 17 HB VAL 17 19.716 6.884 2.729
129 HG11 VAL 17 1HG1 VAL 17 18.504 8.596 1.346
130 HG12 VAL 17 2HG1 VAL 17 20.065 9.029 0.644
131 HG13 VAL 17 3HG1 VAL 17 19.420 7.401 0.427
132 HG21 VAL 17 3HG2 VAL 17 21.858 7.556 1.063
133 HG22 VAL 17 1HG2 VAL 17 22.273 8.205 2.649
134 HG23 VAL 17 2HG2 VAL 17 21.891 6.492 2.470
135 H ARG 18 H ARG 18 17.801 9.991 3.194
136 HA ARG 18 HA ARG 18 18.489 11.898 1.215
137 HB2 ARG 18 1HB ARG 18 16.127 10.978 2.463
138 HB3 ARG 18 2HB ARG 18 16.182 12.717 2.720
139 HG2 ARG 18 1HG ARG 18 16.624 11.533 0.004
140 HG3 ARG 18 2HG ARG 18 15.001 11.834 0.629
141 HD2 ARG 18 1HD ARG 18 16.381 14.181 1.154
142 HD3 ARG 18 2HD ARG 18 16.956 13.690 -0.439
143 HE ARG 18 HE ARG 18 14.228 13.440 -0.551
144 HH11 ARG 18 1HH1 ARG 18 16.476 16.006 0.141
145 HH12 ARG 18 2HH1 ARG 18 15.437 17.255 -0.459
146 HH21 ARG 18 1HH2 ARG 18 12.850 15.075 -1.344
147 HH22 ARG 18 2HH2 ARG 18 13.374 16.725 -1.302
148 HA PRO 19 HA PRO 19 18.371 15.120 4.813
149 HB2 PRO 19 1HB PRO 19 18.293 14.154 7.349
150 HB3 PRO 19 2HB PRO 19 16.838 14.502 6.409
151 HG2 PRO 19 1HG PRO 19 18.200 11.880 6.891
152 HG3 PRO 19 2HG PRO 19 16.468 12.262 6.914
153 HD2 PRO 19 1HD PRO 19 17.671 11.082 4.795
154 HD3 PRO 19 2HD PRO 19 16.292 12.185 4.617
155 H THR 20 H THR 20 20.228 12.286 4.687
156 HA THR 20 HA THR 20 22.252 12.647 6.522
157 HB THR 20 HB THR 20 22.382 11.564 3.708
158 HG1 THR 20 HG1 THR 20 22.299 10.374 6.297
159 HG21 THR 20 3HG2 THR 20 24.541 10.481 4.632
160 HG22 THR 20 1HG2 THR 20 24.528 11.810 5.789
161 HG23 THR 20 2HG2 THR 20 24.612 12.147 4.060
162 H PHE 21 H PHE 21 21.636 14.402 3.574
163 HA PHE 21 HA PHE 21 24.171 15.587 3.246
164 HB2 PHE 21 1HB PHE 21 21.806 15.609 1.844
165 HB3 PHE 21 2HB PHE 21 21.897 17.259 2.450
166 HD1 PHE 21 HD2 PHE 21 24.381 14.815 1.107
167 HD2 PHE 21 HD1 PHE 21 22.687 18.713 0.874
168 HE1 PHE 21 HE2 PHE 21 25.953 15.386 -0.698
169 HE2 PHE 21 HE1 PHE 21 24.256 19.290 -0.932
170 HZ PHE 21 HZ PHE 21 25.892 17.627 -1.719
171 H ALA 22 H ALA 22 21.213 16.831 4.792
172 HA ALA 22 HA ALA 22 22.520 19.183 5.776
173 HB1 ALA 22 1HB ALA 22 20.088 19.042 5.230
174 HB2 ALA 22 2HB ALA 22 19.878 18.044 6.670
175 HB3 ALA 22 3HB ALA 22 20.440 19.709 6.824
176 H ALA 23 H ALA 23 21.830 15.990 7.021
177 HA ALA 23 HA ALA 23 22.206 16.470 9.757
178 HB1 ALA 23 1HB ALA 23 23.016 13.910 8.418
179 HB2 ALA 23 2HB ALA 23 22.329 14.151 10.025
180 HB3 ALA 23 3HB ALA 23 21.322 14.368 8.593
181 H GLY 24 H GLY 24 24.525 15.577 7.219
182 HA2 GLY 24 1HA GLY 24 26.694 16.232 9.118
183 HA3 GLY 24 2HA GLY 24 26.841 15.007 7.867
184 H LEU 25 H LEU 25 25.228 18.028 7.242
185 HA LEU 25 HA LEU 25 26.684 18.630 4.960
186 HB2 LEU 25 1HB LEU 25 25.553 20.653 4.898
187 HB3 LEU 25 2HB LEU 25 24.469 19.601 5.806
188 HG LEU 25 HG LEU 25 25.781 20.720 7.851
189 HD11 LEU 25 1HD1 LEU 25 26.063 22.601 5.546
190 HD12 LEU 25 2HD1 LEU 25 27.227 22.186 6.804
191 HD13 LEU 25 3HD1 LEU 25 25.851 23.222 7.183
192 HD21 LEU 25 3HD2 LEU 25 23.802 22.609 7.118
193 HD22 LEU 25 1HD2 LEU 25 23.676 21.277 8.266
194 HD23 LEU 25 2HD2 LEU 25 23.260 21.022 6.571
195 H LEU 26 H LEU 26 27.398 19.290 8.299
196 HA LEU 26 HA LEU 26 29.306 21.330 7.951
197 HB2 LEU 26 1HB LEU 26 28.550 19.441 10.084
198 HB3 LEU 26 2HB LEU 26 30.193 20.074 10.168
199 HG LEU 26 HG LEU 26 29.277 22.367 10.182
200 HD11 LEU 26 1HD1 LEU 26 26.986 22.827 10.298
201 HD12 LEU 26 2HD1 LEU 26 26.570 21.140 10.598
202 HD13 LEU 26 3HD1 LEU 26 27.134 21.639 9.003
203 HD21 LEU 26 3HD2 LEU 26 29.641 21.924 12.350
204 HD22 LEU 26 1HD2 LEU 26 28.854 20.348 12.263
205 HD23 LEU 26 2HD2 LEU 26 27.884 21.808 12.455
206 H LEU 27 H LEU 27 29.445 17.909 7.462
207 HA LEU 27 HA LEU 27 32.255 17.581 7.637
208 HB2 LEU 27 1HB LEU 27 30.750 15.692 7.785
209 HB3 LEU 27 2HB LEU 27 30.169 15.993 6.148
210 HG LEU 27 HG LEU 27 32.575 15.538 5.405
211 HD11 LEU 27 1HD1 LEU 27 34.090 15.203 6.989
212 HD12 LEU 27 2HD1 LEU 27 33.244 13.722 7.434
213 HD13 LEU 27 3HD1 LEU 27 32.851 15.239 8.243
214 HD21 LEU 27 3HD2 LEU 27 31.178 13.875 4.734
215 HD22 LEU 27 1HD2 LEU 27 30.546 13.597 6.357
216 HD23 LEU 27 2HD2 LEU 27 32.131 12.966 5.908
217 H ARG 28 H ARG 28 33.596 18.752 6.418
218 HA ARG 28 HA ARG 28 32.932 19.157 3.582
219 HB2 ARG 28 1HB ARG 28 34.329 20.782 5.613
220 HB3 ARG 28 2HB ARG 28 35.056 20.792 4.012
221 HG2 ARG 28 1HG ARG 28 32.580 21.260 3.255
222 HG3 ARG 28 2HG ARG 28 32.429 21.847 4.912
223 HD2 ARG 28 1HD ARG 28 33.049 23.751 3.738
224 HD3 ARG 28 2HD ARG 28 34.579 23.175 4.398
225 HE ARG 28 HE ARG 28 35.316 22.843 2.265
226 HH11 ARG 28 1HH1 ARG 28 31.840 23.027 2.231
227 HH12 ARG 28 2HH1 ARG 28 31.725 22.989 0.502
228 HH21 ARG 28 1HH2 ARG 28 35.178 22.792 -0.011
229 HH22 ARG 28 2HH2 ARG 28 33.624 22.855 -0.772
Start of MODEL 6
1 H1 ASP 1 H ASP 1 2.665 -6.558 5.187
2 HA ASP 1 HA ASP 1 0.651 -6.565 3.054
3 HB2 ASP 1 1HB ASP 1 2.046 -4.482 4.181
4 HB3 ASP 1 2HB ASP 1 2.974 -4.805 2.718
5 H ILE 2 H ILE 2 1.689 -6.345 0.784
6 HA ILE 2 HA ILE 2 2.847 -8.740 0.069
7 HB ILE 2 HB ILE 2 1.797 -7.275 -1.567
8 HG12 ILE 2 1HG1 ILE 2 4.696 -7.622 -2.337
9 HG13 ILE 2 2HG1 ILE 2 3.572 -8.971 -2.219
10 HG21 ILE 2 1HG2 ILE 2 4.233 -5.521 -1.511
11 HG22 ILE 2 2HG2 ILE 2 2.675 -5.222 -2.279
12 HG23 ILE 2 3HG2 ILE 2 2.813 -5.179 -0.522
13 HD11 ILE 2 3HD1 ILE 2 3.129 -8.595 -4.358
14 HD12 ILE 2 1HD1 ILE 2 2.242 -7.170 -3.819
15 HD13 ILE 2 2HD1 ILE 2 3.924 -7.022 -4.329
16 H GLY 3 H GLY 3 4.415 -5.729 1.004
17 HA2 GLY 3 1HA GLY 3 6.871 -7.162 1.535
18 HA3 GLY 3 2HA GLY 3 6.986 -5.999 0.223
19 H MET 4 H MET 4 5.938 -6.260 3.613
20 HA MET 4 HA MET 4 6.277 -3.424 4.030
21 HB2 MET 4 1HB MET 4 4.856 -5.488 5.304
22 HB3 MET 4 2HB MET 4 6.050 -4.942 6.474
23 HG2 MET 4 1HG MET 4 5.236 -2.700 6.362
24 HG3 MET 4 2HG MET 4 4.171 -3.102 5.017
25 HE1 MET 4 3HE MET 4 4.016 -2.943 9.160
26 HE2 MET 4 1HE MET 4 4.057 -1.758 7.854
27 HE3 MET 4 2HE MET 4 2.518 -2.209 8.587
28 H GLY 5 H GLY 5 8.267 -6.171 4.119
29 HA2 GLY 5 1HA GLY 5 10.066 -5.293 6.176
30 HA3 GLY 5 2HA GLY 5 10.347 -6.596 5.030
31 H VAL 6 H VAL 6 9.644 -4.509 2.867
32 HA VAL 6 HA VAL 6 12.384 -3.686 2.439
33 HB VAL 6 HB VAL 6 10.794 -4.570 0.635
34 HG11 VAL 6 1HG1 VAL 6 9.916 -1.735 0.323
35 HG12 VAL 6 2HG1 VAL 6 9.177 -3.216 -0.290
36 HG13 VAL 6 3HG1 VAL 6 9.036 -2.801 1.419
37 HG21 VAL 6 3HG2 VAL 6 12.052 -1.963 -0.136
38 HG22 VAL 6 1HG2 VAL 6 13.044 -3.327 0.379
39 HG23 VAL 6 2HG2 VAL 6 11.996 -3.482 -1.031
40 H THR 7 H THR 7 9.336 -2.231 3.332
41 HA THR 7 HA THR 7 10.243 0.475 2.962
42 HB THR 7 HB THR 7 7.905 0.167 2.715
43 HG1 THR 7 HG1 THR 7 7.159 1.665 4.184
44 HG21 THR 7 3HG2 THR 7 8.016 -1.205 5.396
45 HG22 THR 7 1HG2 THR 7 7.530 -1.895 3.848
46 HG23 THR 7 2HG2 THR 7 6.511 -0.690 4.635
47 H TYR 8 H TYR 8 9.886 -1.763 5.664
48 HA TYR 8 HA TYR 8 10.509 0.143 7.686
49 HB2 TYR 8 1HB TYR 8 9.271 -2.018 8.050
50 HB3 TYR 8 2HB TYR 8 10.803 -2.861 7.850
51 HD1 TYR 8 HD1 TYR 8 12.566 -2.655 9.543
52 HD2 TYR 8 HD2 TYR 8 8.778 -0.786 10.062
53 HE1 TYR 8 HE1 TYR 8 13.054 -2.342 11.933
54 HE2 TYR 8 HE2 TYR 8 9.257 -0.467 12.453
55 HH TYR 8 HH TYR 8 12.300 -0.765 13.775
56 H LEU 9 H LEU 9 12.382 -1.471 5.379
57 HA LEU 9 HA LEU 9 14.838 -1.077 6.953
58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061
59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685
60 HG LEU 9 HG LEU 9 14.739 -3.737 7.296
61 HD11 LEU 9 1HD1 LEU 9 16.572 -5.380 6.463
62 HD12 LEU 9 2HD1 LEU 9 16.169 -4.736 4.872
63 HD13 LEU 9 3HD1 LEU 9 14.926 -5.520 5.846
64 HD21 LEU 9 3HD2 LEU 9 17.345 -2.565 6.347
65 HD22 LEU 9 1HD2 LEU 9 17.209 -3.650 7.730
66 HD23 LEU 9 2HD2 LEU 9 16.391 -2.088 7.751
67 H ALA 10 H ALA 10 13.141 -0.201 4.047
68 HA ALA 10 HA ALA 10 15.437 1.369 3.112
69 HB1 ALA 10 1HB ALA 10 14.334 1.518 0.993
70 HB2 ALA 10 2HB ALA 10 14.292 -0.166 1.518
71 HB3 ALA 10 3HB ALA 10 12.850 0.838 1.662
72 H LEU 11 H LEU 11 11.903 1.766 3.439
73 HA LEU 11 HA LEU 11 12.020 4.603 3.307
74 HB2 LEU 11 1HB LEU 11 9.919 2.604 4.024
75 HB3 LEU 11 2HB LEU 11 9.642 4.316 4.336
76 HG LEU 11 HG LEU 11 10.215 3.100 1.633
77 HD11 LEU 11 1HD1 LEU 11 7.768 4.042 1.361
78 HD12 LEU 11 2HD1 LEU 11 7.709 3.739 3.097
79 HD13 LEU 11 3HD1 LEU 11 8.067 2.419 1.983
80 HD21 LEU 11 3HD2 LEU 11 10.849 5.199 1.169
81 HD22 LEU 11 1HD2 LEU 11 10.129 5.848 2.643
82 HD23 LEU 11 2HD2 LEU 11 9.123 5.563 1.222
83 H LEU 12 H LEU 12 12.778 2.426 5.757
84 HA LEU 12 HA LEU 12 12.264 4.399 7.872
85 HB2 LEU 12 1HB LEU 12 11.993 1.590 7.751
86 HB3 LEU 12 2HB LEU 12 13.305 1.935 8.876
87 HG LEU 12 HG LEU 12 11.272 1.724 10.117
88 HD11 LEU 12 1HD1 LEU 12 11.505 4.678 10.055
89 HD12 LEU 12 2HD1 LEU 12 12.958 3.751 10.423
90 HD13 LEU 12 3HD1 LEU 12 11.518 3.566 11.424
91 HD21 LEU 12 3HD2 LEU 12 9.737 3.941 9.246
92 HD22 LEU 12 1HD2 LEU 12 9.308 2.230 9.225
93 HD23 LEU 12 2HD2 LEU 12 10.113 2.955 7.832
94 H ALA 13 H ALA 13 14.791 2.453 6.376
95 HA ALA 13 HA ALA 13 16.811 3.827 8.007
96 HB1 ALA 13 1HB ALA 13 18.143 2.010 7.821
97 HB2 ALA 13 2HB ALA 13 16.606 1.199 7.522
98 HB3 ALA 13 3HB ALA 13 17.633 1.668 6.167
99 H ALA 14 H ALA 14 16.474 2.720 4.628
100 HA ALA 14 HA ALA 14 18.461 4.302 3.522
101 HB1 ALA 14 1HB ALA 14 17.004 2.419 2.481
102 HB2 ALA 14 2HB ALA 14 15.957 3.750 1.987
103 HB3 ALA 14 3HB ALA 14 17.636 3.703 1.450
104 H PHE 15 H PHE 15 15.340 5.202 4.667
105 HA PHE 15 HA PHE 15 14.971 7.558 3.141
106 HB2 PHE 15 1HB PHE 15 13.327 6.207 4.708
107 HB3 PHE 15 2HB PHE 15 13.904 7.342 5.924
108 HD1 PHE 15 HD1 PHE 15 12.328 7.149 2.574
109 HD2 PHE 15 HD2 PHE 15 13.019 9.493 6.058
110 HE1 PHE 15 HE1 PHE 15 10.722 8.826 1.759
111 HE2 PHE 15 HE2 PHE 15 11.414 11.174 5.250
112 HZ PHE 15 HZ PHE 15 10.263 10.841 3.099
113 H LYS 16 H LYS 16 16.867 6.809 5.941
114 HA LYS 16 HA LYS 16 17.221 9.501 6.836
115 HB2 LYS 16 1HB LYS 16 18.601 6.897 7.437
116 HB3 LYS 16 2HB LYS 16 19.207 8.418 8.079
117 HG2 LYS 16 1HG LYS 16 17.793 8.225 9.766
118 HG3 LYS 16 2HG LYS 16 16.452 8.372 8.627
119 HD2 LYS 16 1HD LYS 16 15.926 6.347 9.522
120 HD3 LYS 16 2HD LYS 16 17.014 5.798 8.246
121 HE2 LYS 16 1HE LYS 16 18.129 6.492 10.926
122 HE3 LYS 16 2HE LYS 16 17.304 4.949 10.708
123 HZ1 LYS 16 3HZ LYS 16 19.603 5.900 9.085
124 HZ2 LYS 16 1HZ LYS 16 18.832 4.401 8.938
125 HZ3 LYS 16 2HZ LYS 16 19.697 4.773 10.343
126 H VAL 17 H VAL 17 17.710 10.354 4.645
127 HA VAL 17 HA VAL 17 20.574 10.051 4.012
128 HB VAL 17 HB VAL 17 19.329 11.198 1.780
129 HG11 VAL 17 1HG1 VAL 17 20.251 9.407 0.632
130 HG12 VAL 17 2HG1 VAL 17 21.247 9.485 2.087
131 HG13 VAL 17 3HG1 VAL 17 19.965 8.280 1.958
132 HG21 VAL 17 3HG2 VAL 17 17.594 9.586 1.187
133 HG22 VAL 17 1HG2 VAL 17 17.771 8.808 2.761
134 HG23 VAL 17 2HG2 VAL 17 17.166 10.462 2.657
135 H ARG 18 H ARG 18 18.078 12.166 4.961
136 HA ARG 18 HA ARG 18 19.062 14.609 3.942
137 HB2 ARG 18 1HB ARG 18 16.903 14.848 4.676
138 HB3 ARG 18 2HB ARG 18 17.146 13.801 6.068
139 HG2 ARG 18 1HG ARG 18 16.747 16.100 6.748
140 HG3 ARG 18 2HG ARG 18 18.368 15.574 7.204
141 HD2 ARG 18 1HD ARG 18 19.161 17.375 6.169
142 HD3 ARG 18 2HD ARG 18 18.640 16.656 4.646
143 HE ARG 18 HE ARG 18 16.872 18.126 4.584
144 HH11 ARG 18 1HH1 ARG 18 18.379 18.230 7.720
145 HH12 ARG 18 2HH1 ARG 18 17.503 19.632 8.239
146 HH21 ARG 18 1HH2 ARG 18 15.711 19.971 5.255
147 HH22 ARG 18 2HH2 ARG 18 15.985 20.621 6.837
148 HA PRO 19 HA PRO 19 21.198 15.142 8.247
149 HB2 PRO 19 1HB PRO 19 21.334 12.950 9.843
150 HB3 PRO 19 2HB PRO 19 19.986 14.092 9.893
151 HG2 PRO 19 1HG PRO 19 20.170 11.439 8.519
152 HG3 PRO 19 2HG PRO 19 18.831 12.121 9.460
153 HD2 PRO 19 1HD PRO 19 18.860 12.125 6.753
154 HD3 PRO 19 2HD PRO 19 18.086 13.411 7.701
155 H THR 20 H THR 20 21.575 12.554 6.088
156 HA THR 20 HA THR 20 24.072 11.518 6.899
157 HB THR 20 HB THR 20 22.880 11.636 4.121
158 HG1 THR 20 HG1 THR 20 22.802 9.643 6.160
159 HG21 THR 20 3HG2 THR 20 25.135 11.144 3.771
160 HG22 THR 20 1HG2 THR 20 24.384 9.552 3.874
161 HG23 THR 20 2HG2 THR 20 25.260 10.205 5.259
162 H PHE 21 H PHE 21 23.169 14.414 5.235
163 HA PHE 21 HA PHE 21 25.710 14.926 4.034
164 HB2 PHE 21 1HB PHE 21 23.175 16.000 3.788
165 HB3 PHE 21 2HB PHE 21 24.076 17.284 4.587
166 HD1 PHE 21 HD1 PHE 21 24.153 15.019 1.649
167 HD2 PHE 21 HD2 PHE 21 25.474 18.684 3.365
168 HE1 PHE 21 HE1 PHE 21 25.116 15.682 -0.516
169 HE2 PHE 21 HE2 PHE 21 26.438 19.353 1.203
170 HZ PHE 21 HZ PHE 21 26.259 17.852 -0.742
171 H ALA 22 H ALA 22 24.046 16.206 6.906
172 HA ALA 22 HA ALA 22 26.307 17.757 7.738
173 HB1 ALA 22 1HB ALA 22 24.741 18.772 8.933
174 HB2 ALA 22 2HB ALA 22 23.570 17.541 8.460
175 HB3 ALA 22 3HB ALA 22 24.543 17.320 9.914
176 H ALA 23 H ALA 23 24.996 14.591 8.521
177 HA ALA 23 HA ALA 23 26.490 14.047 10.824
178 HB1 ALA 23 1HB ALA 23 24.577 12.697 10.032
179 HB2 ALA 23 2HB ALA 23 25.595 12.061 8.739
180 HB3 ALA 23 3HB ALA 23 25.994 11.722 10.424
181 H GLY 24 H GLY 24 27.247 13.508 7.399
182 HA2 GLY 24 1HA GLY 24 30.021 12.889 8.211
183 HA3 GLY 24 2HA GLY 24 29.249 12.214 6.783
184 H LEU 25 H LEU 25 28.755 15.546 7.638
185 HA LEU 25 HA LEU 25 29.467 16.557 5.157
186 HB2 LEU 25 1HB LEU 25 29.201 18.676 6.060
187 HB3 LEU 25 2HB LEU 25 28.186 17.661 7.082
188 HG LEU 25 HG LEU 25 30.408 17.622 8.556
189 HD11 LEU 25 1HD1 LEU 25 31.877 18.942 7.365
190 HD12 LEU 25 2HD1 LEU 25 31.179 20.103 8.494
191 HD13 LEU 25 3HD1 LEU 25 30.613 20.048 6.825
192 HD21 LEU 25 3HD2 LEU 25 27.976 19.228 8.494
193 HD22 LEU 25 1HD2 LEU 25 29.296 19.993 9.380
194 HD23 LEU 25 2HD2 LEU 25 28.744 18.382 9.838
195 H LEU 26 H LEU 26 31.456 15.792 7.907
196 HA LEU 26 HA LEU 26 33.737 17.300 7.241
197 HB2 LEU 26 1HB LEU 26 33.120 15.003 8.987
198 HB3 LEU 26 2HB LEU 26 34.804 15.166 8.495
199 HG LEU 26 HG LEU 26 34.849 17.430 9.453
200 HD11 LEU 26 1HD1 LEU 26 32.664 17.520 11.133
201 HD12 LEU 26 2HD1 LEU 26 31.987 16.974 9.600
202 HD13 LEU 26 3HD1 LEU 26 32.900 18.481 9.673
203 HD21 LEU 26 3HD2 LEU 26 35.220 16.714 11.595
204 HD22 LEU 26 1HD2 LEU 26 35.211 15.168 10.748
205 HD23 LEU 26 2HD2 LEU 26 33.777 15.700 11.626
206 H LEU 27 H LEU 27 32.450 14.350 5.971
207 HA LEU 27 HA LEU 27 34.892 13.470 4.740
208 HB2 LEU 27 1HB LEU 27 32.866 12.055 5.438
209 HB3 LEU 27 2HB LEU 27 32.131 12.614 3.936
210 HG LEU 27 HG LEU 27 34.143 11.632 2.747
211 HD11 LEU 27 1HD1 LEU 27 34.540 10.352 5.447
212 HD12 LEU 27 2HD1 LEU 27 35.646 11.461 4.636
213 HD13 LEU 27 3HD1 LEU 27 35.345 9.861 3.956
214 HD21 LEU 27 3HD2 LEU 27 32.004 10.540 2.658
215 HD22 LEU 27 1HD2 LEU 27 32.248 9.839 4.258
216 HD23 LEU 27 2HD2 LEU 27 33.253 9.319 2.906
217 H ARG 28 H ARG 28 35.768 14.681 3.186
218 HA ARG 28 HA ARG 28 34.182 16.305 1.424
219 HB2 ARG 28 1HB ARG 28 36.704 16.537 2.335
220 HB3 ARG 28 2HB ARG 28 37.028 15.775 0.784
221 HG2 ARG 28 1HG ARG 28 36.093 17.561 -0.415
222 HG3 ARG 28 2HG ARG 28 35.303 18.217 1.021
223 HD2 ARG 28 1HD ARG 28 38.277 17.974 0.961
224 HD3 ARG 28 2HD ARG 28 37.501 19.298 0.094
225 HE ARG 28 HE ARG 28 36.380 19.432 2.550
226 HH11 ARG 28 1HH1 ARG 28 39.673 19.307 1.429
227 HH12 ARG 28 2HH1 ARG 28 40.298 20.229 2.756
228 HH21 ARG 28 1HH2 ARG 28 37.190 20.646 4.303
229 HH22 ARG 28 2HH2 ARG 28 38.884 20.989 4.391
Start of MODEL 7
1 H1 ASP 1 H ASP 1 2.611 -6.439 5.335
2 HA ASP 1 HA ASP 1 0.582 -6.460 3.214
3 HB2 ASP 1 1HB ASP 1 2.010 -4.370 4.292
4 HB3 ASP 1 2HB ASP 1 2.918 -4.730 2.826
5 H ILE 2 H ILE 2 1.620 -6.290 0.935
6 HA ILE 2 HA ILE 2 2.746 -8.712 0.262
7 HB ILE 2 HB ILE 2 3.070 -6.110 -1.237
8 HG12 ILE 2 1HG1 ILE 2 1.125 -7.949 -2.314
9 HG13 ILE 2 2HG1 ILE 2 0.748 -7.585 -0.633
10 HG21 ILE 2 1HG2 ILE 2 3.305 -8.961 -2.193
11 HG22 ILE 2 2HG2 ILE 2 3.383 -7.523 -3.210
12 HG23 ILE 2 3HG2 ILE 2 4.633 -7.816 -2.001
13 HD11 ILE 2 3HD1 ILE 2 -0.273 -5.777 -1.409
14 HD12 ILE 2 1HD1 ILE 2 1.337 -5.119 -1.700
15 HD13 ILE 2 2HD1 ILE 2 0.472 -5.940 -2.999
16 H GLY 3 H GLY 3 4.367 -5.679 1.062
17 HA2 GLY 3 1HA GLY 3 6.804 -7.144 1.638
18 HA3 GLY 3 2HA GLY 3 6.925 -6.000 0.309
19 H MET 4 H MET 4 5.891 -6.203 3.707
20 HA MET 4 HA MET 4 6.263 -3.365 4.084
21 HB2 MET 4 1HB MET 4 4.827 -5.397 5.394
22 HB3 MET 4 2HB MET 4 6.033 -4.846 6.549
23 HG2 MET 4 1HG MET 4 5.025 -2.505 5.493
24 HG3 MET 4 2HG MET 4 3.614 -3.552 5.623
25 HE1 MET 4 3HE MET 4 3.111 -1.221 8.360
26 HE2 MET 4 1HE MET 4 4.786 -0.703 8.159
27 HE3 MET 4 2HE MET 4 3.784 -1.017 6.742
28 H GLY 5 H GLY 5 8.224 -6.133 4.201
29 HA2 GLY 5 1HA GLY 5 10.044 -5.245 6.235
30 HA3 GLY 5 2HA GLY 5 10.305 -6.566 5.107
31 H VAL 6 H VAL 6 9.611 -4.500 2.920
32 HA VAL 6 HA VAL 6 12.357 -3.713 2.465
33 HB VAL 6 HB VAL 6 10.748 -4.606 0.682
34 HG11 VAL 6 1HG1 VAL 6 9.899 -1.765 0.335
35 HG12 VAL 6 2HG1 VAL 6 9.142 -3.246 -0.254
36 HG13 VAL 6 3HG1 VAL 6 9.014 -2.807 1.449
37 HG21 VAL 6 3HG2 VAL 6 11.961 -3.563 -1.001
38 HG22 VAL 6 1HG2 VAL 6 12.022 -2.025 -0.141
39 HG23 VAL 6 2HG2 VAL 6 13.011 -3.380 0.403
40 H THR 7 H THR 7 9.329 -2.214 3.354
41 HA THR 7 HA THR 7 10.262 0.477 2.942
42 HB THR 7 HB THR 7 7.920 0.190 2.710
43 HG1 THR 7 HG1 THR 7 8.080 1.278 5.317
44 HG21 THR 7 3HG2 THR 7 7.529 -1.851 3.872
45 HG22 THR 7 1HG2 THR 7 6.527 -0.626 4.650
46 HG23 THR 7 2HG2 THR 7 8.031 -1.148 5.409
47 H TYR 8 H TYR 8 9.899 -1.721 5.675
48 HA TYR 8 HA TYR 8 10.552 0.208 7.668
49 HB2 TYR 8 1HB TYR 8 9.292 -1.934 8.068
50 HB3 TYR 8 2HB TYR 8 10.815 -2.796 7.875
51 HD1 TYR 8 HD1 TYR 8 12.585 -2.585 9.557
52 HD2 TYR 8 HD2 TYR 8 8.822 -0.665 10.062
53 HE1 TYR 8 HE1 TYR 8 13.087 -2.242 11.940
54 HE2 TYR 8 HE2 TYR 8 9.314 -0.315 12.447
55 HH TYR 8 HH TYR 8 12.137 -1.726 13.966
56 H LEU 9 H LEU 9 12.395 -1.455 5.372
57 HA LEU 9 HA LEU 9 14.863 -1.068 6.928
58 HB2 LEU 9 1HB LEU 9 13.957 -3.121 5.070
59 HB3 LEU 9 2HB LEU 9 15.559 -2.499 4.678
60 HG LEU 9 HG LEU 9 14.733 -3.722 7.311
61 HD11 LEU 9 1HD1 LEU 9 16.851 -5.046 5.882
62 HD12 LEU 9 2HD1 LEU 9 15.390 -4.959 4.899
63 HD13 LEU 9 3HD1 LEU 9 15.332 -5.697 6.500
64 HD21 LEU 9 3HD2 LEU 9 16.412 -2.325 7.973
65 HD22 LEU 9 1HD2 LEU 9 17.178 -2.309 6.385
66 HD23 LEU 9 2HD2 LEU 9 17.372 -3.707 7.443
67 H ALA 10 H ALA 10 13.158 -0.213 4.021
68 HA ALA 10 HA ALA 10 15.467 1.317 3.050
69 HB1 ALA 10 1HB ALA 10 14.298 -0.234 1.487
70 HB2 ALA 10 2HB ALA 10 12.869 0.792 1.618
71 HB3 ALA 10 3HB ALA 10 14.359 1.440 0.933
72 H LEU 11 H LEU 11 11.940 1.751 3.400
73 HA LEU 11 HA LEU 11 12.086 4.586 3.221
74 HB2 LEU 11 1HB LEU 11 9.965 2.620 3.973
75 HB3 LEU 11 2HB LEU 11 9.707 4.340 4.256
76 HG LEU 11 HG LEU 11 10.267 3.078 1.573
77 HD11 LEU 11 1HD1 LEU 11 7.801 3.560 3.084
78 HD12 LEU 11 2HD1 LEU 11 8.117 2.463 1.740
79 HD13 LEU 11 3HD1 LEU 11 7.785 4.166 1.427
80 HD21 LEU 11 3HD2 LEU 11 9.746 5.902 2.455
81 HD22 LEU 11 1HD2 LEU 11 9.462 5.365 0.800
82 HD23 LEU 11 2HD2 LEU 11 11.084 5.279 1.488
83 H LEU 12 H LEU 12 12.830 2.436 5.697
84 HA LEU 12 HA LEU 12 12.343 4.443 7.786
85 HB2 LEU 12 1HB LEU 12 12.041 1.635 7.704
86 HB3 LEU 12 2HB LEU 12 13.355 1.983 8.825
87 HG LEU 12 HG LEU 12 11.599 3.703 9.799
88 HD11 LEU 12 1HD1 LEU 12 10.044 2.743 7.841
89 HD12 LEU 12 2HD1 LEU 12 9.412 3.333 9.378
90 HD13 LEU 12 3HD1 LEU 12 9.638 1.603 9.124
91 HD21 LEU 12 3HD2 LEU 12 11.896 0.766 10.274
92 HD22 LEU 12 1HD2 LEU 12 10.726 1.702 11.205
93 HD23 LEU 12 2HD2 LEU 12 12.438 2.123 11.263
94 H ALA 13 H ALA 13 14.843 2.424 6.336
95 HA ALA 13 HA ALA 13 16.884 3.790 7.942
96 HB1 ALA 13 1HB ALA 13 17.665 1.615 6.099
97 HB2 ALA 13 2HB ALA 13 18.198 1.958 7.746
98 HB3 ALA 13 3HB ALA 13 16.647 1.167 7.468
99 H ALA 14 H ALA 14 16.481 2.708 4.561
100 HA ALA 14 HA ALA 14 18.498 4.283 3.462
101 HB1 ALA 14 1HB ALA 14 17.043 2.374 2.435
102 HB2 ALA 14 2HB ALA 14 16.026 3.710 1.892
103 HB3 ALA 14 3HB ALA 14 17.717 3.631 1.398
104 H PHE 15 H PHE 15 15.412 5.181 4.646
105 HA PHE 15 HA PHE 15 15.128 7.572 3.081
106 HB2 PHE 15 1HB PHE 15 13.357 6.099 4.461
107 HB3 PHE 15 2HB PHE 15 13.712 7.320 5.678
108 HD1 PHE 15 HD1 PHE 15 12.709 6.955 2.116
109 HD2 PHE 15 HD2 PHE 15 12.605 9.351 5.633
110 HE1 PHE 15 HE1 PHE 15 11.146 8.501 1.012
111 HE2 PHE 15 HE2 PHE 15 11.041 10.900 4.535
112 HZ PHE 15 HZ PHE 15 10.308 10.476 2.222
113 H LYS 16 H LYS 16 16.774 6.682 5.967
114 HA LYS 16 HA LYS 16 16.889 9.156 7.288
115 HB2 LYS 16 1HB LYS 16 18.735 6.775 7.255
116 HB3 LYS 16 2HB LYS 16 19.071 8.197 8.235
117 HG2 LYS 16 1HG LYS 16 17.396 7.756 9.704
118 HG3 LYS 16 2HG LYS 16 16.388 6.965 8.490
119 HD2 LYS 16 1HD LYS 16 17.045 5.186 9.818
120 HD3 LYS 16 2HD LYS 16 18.238 5.141 8.518
121 HE2 LYS 16 1HE LYS 16 19.583 6.713 10.136
122 HE3 LYS 16 2HE LYS 16 18.549 5.983 11.363
123 HZ1 LYS 16 3HZ LYS 16 19.855 4.172 9.488
124 HZ2 LYS 16 1HZ LYS 16 19.539 3.978 11.139
125 HZ3 LYS 16 2HZ LYS 16 20.846 4.925 10.633
126 H VAL 17 H VAL 17 18.301 8.132 4.366
127 HA VAL 17 HA VAL 17 20.708 9.451 4.213
128 HB VAL 17 HB VAL 17 20.246 9.733 1.771
129 HG11 VAL 17 1HG1 VAL 17 19.634 7.129 1.562
130 HG12 VAL 17 2HG1 VAL 17 21.227 7.714 2.047
131 HG13 VAL 17 3HG1 VAL 17 20.066 7.196 3.270
132 HG21 VAL 17 3HG2 VAL 17 17.945 10.182 1.653
133 HG22 VAL 17 1HG2 VAL 17 18.119 8.558 0.986
134 HG23 VAL 17 2HG2 VAL 17 17.532 8.776 2.635
135 H ARG 18 H ARG 18 17.461 10.789 3.787
136 HA ARG 18 HA ARG 18 17.903 13.269 2.806
137 HB2 ARG 18 1HB ARG 18 15.708 12.298 3.605
138 HB3 ARG 18 2HB ARG 18 16.160 12.806 5.226
139 HG2 ARG 18 1HG ARG 18 16.435 14.984 3.365
140 HG3 ARG 18 2HG ARG 18 14.811 14.296 3.301
141 HD2 ARG 18 1HD ARG 18 16.257 15.311 5.744
142 HD3 ARG 18 2HD ARG 18 14.874 16.059 4.947
143 HE ARG 18 HE ARG 18 14.819 13.901 6.821
144 HH11 ARG 18 1HH1 ARG 18 13.182 15.311 4.091
145 HH12 ARG 18 2HH1 ARG 18 11.637 14.646 4.508
146 HH21 ARG 18 1HH2 ARG 18 12.791 13.019 7.380
147 HH22 ARG 18 2HH2 ARG 18 11.416 13.343 6.379
148 HA PRO 19 HA PRO 19 20.960 14.716 5.801
149 HB2 PRO 19 1HB PRO 19 21.819 16.773 4.251
150 HB3 PRO 19 2HB PRO 19 22.364 15.107 4.024
151 HG2 PRO 19 1HG PRO 19 20.264 16.633 2.532
152 HG3 PRO 19 2HG PRO 19 21.519 15.549 1.903
153 HD2 PRO 19 1HD PRO 19 18.948 14.765 2.231
154 HD3 PRO 19 2HD PRO 19 20.318 13.652 2.421
155 H THR 20 H THR 20 18.302 16.365 4.286
156 HA THR 20 HA THR 20 18.407 18.883 5.404
157 HB THR 20 HB THR 20 15.705 17.774 5.491
158 HG1 THR 20 HG1 THR 20 17.199 17.576 3.068
159 HG21 THR 20 3HG2 THR 20 15.565 20.003 5.164
160 HG22 THR 20 1HG2 THR 20 15.767 19.580 3.464
161 HG23 THR 20 2HG2 THR 20 17.159 20.096 4.416
162 H PHE 21 H PHE 21 17.688 15.847 6.933
163 HA PHE 21 HA PHE 21 16.387 16.843 9.238
164 HB2 PHE 21 1HB PHE 21 16.955 14.341 8.232
165 HB3 PHE 21 2HB PHE 21 17.990 14.427 9.654
166 HD1 PHE 21 HD1 PHE 21 14.492 15.363 8.737
167 HD2 PHE 21 HD2 PHE 21 17.103 13.558 11.572
168 HE1 PHE 21 HE1 PHE 21 12.562 14.825 10.165
169 HE2 PHE 21 HE2 PHE 21 15.178 13.016 13.005
170 HZ PHE 21 HZ PHE 21 12.904 13.648 12.302
171 H ALA 22 H ALA 22 19.771 15.898 8.665
172 HA ALA 22 HA ALA 22 20.626 16.821 11.245
173 HB1 ALA 22 1HB ALA 22 22.555 15.764 10.796
174 HB2 ALA 22 2HB ALA 22 21.651 15.056 9.457
175 HB3 ALA 22 3HB ALA 22 22.680 16.461 9.180
176 H ALA 23 H ALA 23 20.451 18.148 8.023
177 HA ALA 23 HA ALA 23 22.244 20.284 8.291
178 HB1 ALA 23 1HB ALA 23 21.389 19.660 6.132
179 HB2 ALA 23 2HB ALA 23 19.743 20.058 6.624
180 HB3 ALA 23 3HB ALA 23 20.947 21.336 6.459
181 H GLY 24 H GLY 24 18.754 20.107 8.954
182 HA2 GLY 24 1HA GLY 24 19.014 22.659 10.424
183 HA3 GLY 24 2HA GLY 24 17.553 22.170 9.577
184 H LEU 25 H LEU 25 19.403 19.861 11.406
185 HA LEU 25 HA LEU 25 17.283 18.897 12.883
186 HB2 LEU 25 1HB LEU 25 18.817 17.651 14.096
187 HB3 LEU 25 2HB LEU 25 19.639 17.944 12.565
188 HG LEU 25 HG LEU 25 20.635 19.991 13.955
189 HD11 LEU 25 1HD1 LEU 25 21.194 18.802 16.244
190 HD12 LEU 25 2HD1 LEU 25 19.621 18.055 15.967
191 HD13 LEU 25 3HD1 LEU 25 19.760 19.811 16.052
192 HD21 LEU 25 3HD2 LEU 25 21.780 17.262 14.420
193 HD22 LEU 25 1HD2 LEU 25 22.616 18.781 14.099
194 HD23 LEU 25 2HD2 LEU 25 21.738 17.968 12.804
195 H LEU 26 H LEU 26 19.317 21.659 13.500
196 HA LEU 26 HA LEU 26 18.726 22.032 16.227
197 HB2 LEU 26 1HB LEU 26 19.838 23.659 14.032
198 HB3 LEU 26 2HB LEU 26 19.136 24.556 15.377
199 HG LEU 26 HG LEU 26 20.665 23.361 16.916
200 HD11 LEU 26 1HD1 LEU 26 20.940 21.387 15.354
201 HD12 LEU 26 2HD1 LEU 26 22.403 21.974 16.143
202 HD13 LEU 26 3HD1 LEU 26 22.087 22.382 14.457
203 HD21 LEU 26 3HD2 LEU 26 21.154 25.548 15.460
204 HD22 LEU 26 1HD2 LEU 26 22.470 24.526 14.883
205 HD23 LEU 26 2HD2 LEU 26 22.318 24.879 16.605
206 H LEU 27 H LEU 27 16.931 22.670 17.218
207 HA LEU 27 HA LEU 27 14.510 23.094 15.879
208 HB2 LEU 27 1HB LEU 27 15.234 22.613 18.449
209 HB3 LEU 27 2HB LEU 27 14.754 24.306 18.547
210 HG LEU 27 HG LEU 27 12.896 22.373 17.248
211 HD11 LEU 27 1HD1 LEU 27 12.742 22.727 20.198
212 HD12 LEU 27 2HD1 LEU 27 13.853 21.524 19.543
213 HD13 LEU 27 3HD1 LEU 27 12.130 21.422 19.181
214 HD21 LEU 27 3HD2 LEU 27 12.751 25.012 17.675
215 HD22 LEU 27 1HD2 LEU 27 12.046 24.435 19.186
216 HD23 LEU 27 2HD2 LEU 27 11.334 23.961 17.643
217 H ARG 28 H ARG 28 13.397 24.889 15.265
218 HA ARG 28 HA ARG 28 14.786 27.197 14.545
219 HB2 ARG 28 1HB ARG 28 12.488 26.267 13.740
220 HB3 ARG 28 2HB ARG 28 11.829 27.242 15.047
221 HG2 ARG 28 1HG ARG 28 12.969 29.222 14.050
222 HG3 ARG 28 2HG ARG 28 13.413 28.204 12.678
223 HD2 ARG 28 1HD ARG 28 11.474 29.158 11.902
224 HD3 ARG 28 2HD ARG 28 10.851 27.677 12.627
225 HE ARG 28 HE ARG 28 10.850 29.763 14.530
226 HH11 ARG 28 1HH1 ARG 28 9.182 28.679 11.673
227 HH12 ARG 28 2HH1 ARG 28 7.682 29.430 12.105
228 HH21 ARG 28 1HH2 ARG 28 8.881 30.757 15.110
229 HH22 ARG 28 2HH2 ARG 28 7.512 30.613 14.060
Start of MODEL 8
1 H1 ASP 1 H ASP 1 2.988 -7.172 5.136
2 HA ASP 1 HA ASP 1 0.785 -7.409 3.221
3 HB2 ASP 1 1HB ASP 1 1.880 -5.198 4.382
4 HB3 ASP 1 2HB ASP 1 2.755 -5.246 2.854
5 H ILE 2 H ILE 2 1.704 -6.556 0.909
6 HA ILE 2 HA ILE 2 2.943 -8.712 -0.278
7 HB ILE 2 HB ILE 2 1.768 -7.053 -1.595
8 HG12 ILE 2 1HG1 ILE 2 4.679 -7.094 -2.414
9 HG13 ILE 2 2HG1 ILE 2 3.569 -8.441 -2.643
10 HG21 ILE 2 1HG2 ILE 2 2.507 -5.092 -0.255
11 HG22 ILE 2 2HG2 ILE 2 4.069 -5.182 -1.066
12 HG23 ILE 2 3HG2 ILE 2 2.611 -4.843 -1.998
13 HD11 ILE 2 3HD1 ILE 2 2.340 -6.157 -3.744
14 HD12 ILE 2 1HD1 ILE 2 4.011 -6.182 -4.308
15 HD13 ILE 2 2HD1 ILE 2 2.966 -7.577 -4.581
16 H GLY 3 H GLY 3 4.408 -5.823 1.117
17 HA2 GLY 3 1HA GLY 3 6.904 -7.165 1.493
18 HA3 GLY 3 2HA GLY 3 6.991 -5.996 0.184
19 H MET 4 H MET 4 5.938 -6.266 3.573
20 HA MET 4 HA MET 4 6.276 -3.431 3.995
21 HB2 MET 4 1HB MET 4 4.825 -5.469 5.245
22 HB3 MET 4 2HB MET 4 6.040 -4.993 6.424
23 HG2 MET 4 1HG MET 4 4.031 -3.724 6.771
24 HG3 MET 4 2HG MET 4 5.314 -2.659 6.205
25 HE1 MET 4 3HE MET 4 3.575 -0.965 5.954
26 HE2 MET 4 1HE MET 4 2.551 -0.768 4.531
27 HE3 MET 4 2HE MET 4 1.990 -1.737 5.893
28 H GLY 5 H GLY 5 8.269 -6.176 4.089
29 HA2 GLY 5 1HA GLY 5 10.059 -5.302 6.154
30 HA3 GLY 5 2HA GLY 5 10.349 -6.596 5.001
31 H VAL 6 H VAL 6 9.661 -4.527 2.833
32 HA VAL 6 HA VAL 6 12.395 -3.684 2.424
33 HB VAL 6 HB VAL 6 10.805 -4.557 0.612
34 HG11 VAL 6 1HG1 VAL 6 9.937 -1.715 0.324
35 HG12 VAL 6 2HG1 VAL 6 9.203 -3.185 -0.318
36 HG13 VAL 6 3HG1 VAL 6 9.047 -2.796 1.395
37 HG21 VAL 6 3HG2 VAL 6 12.018 -3.465 -1.044
38 HG22 VAL 6 1HG2 VAL 6 12.073 -1.951 -0.141
39 HG23 VAL 6 2HG2 VAL 6 13.062 -3.318 0.371
40 H THR 7 H THR 7 9.339 -2.236 3.309
41 HA THR 7 HA THR 7 10.253 0.472 2.968
42 HB THR 7 HB THR 7 7.918 0.168 2.690
43 HG1 THR 7 HG1 THR 7 8.106 1.224 5.319
44 HG21 THR 7 3HG2 THR 7 7.995 -1.218 5.366
45 HG22 THR 7 1HG2 THR 7 7.528 -1.900 3.809
46 HG23 THR 7 2HG2 THR 7 6.500 -0.698 4.588
47 H TYR 8 H TYR 8 9.864 -1.788 5.646
48 HA TYR 8 HA TYR 8 10.454 0.097 7.696
49 HB2 TYR 8 1HB TYR 8 9.236 -2.091 8.008
50 HB3 TYR 8 2HB TYR 8 10.788 -2.903 7.837
51 HD1 TYR 8 HD1 TYR 8 12.527 -2.633 9.560
52 HD2 TYR 8 HD2 TYR 8 8.657 -0.927 10.026
53 HE1 TYR 8 HE1 TYR 8 12.957 -2.329 11.963
54 HE2 TYR 8 HE2 TYR 8 9.077 -0.617 12.429
55 HH TYR 8 HH TYR 8 11.667 -0.417 13.835
56 H LEU 9 H LEU 9 12.368 -1.488 5.395
57 HA LEU 9 HA LEU 9 14.803 -1.077 6.997
58 HB2 LEU 9 1HB LEU 9 13.967 -3.118 5.102
59 HB3 LEU 9 2HB LEU 9 15.552 -2.449 4.721
60 HG LEU 9 HG LEU 9 14.755 -3.732 7.334
61 HD11 LEU 9 1HD1 LEU 9 15.940 -5.621 6.684
62 HD12 LEU 9 2HD1 LEU 9 16.772 -4.773 5.381
63 HD13 LEU 9 3HD1 LEU 9 15.062 -5.172 5.222
64 HD21 LEU 9 3HD2 LEU 9 17.287 -2.424 6.387
65 HD22 LEU 9 1HD2 LEU 9 17.283 -3.632 7.673
66 HD23 LEU 9 2HD2 LEU 9 16.379 -2.130 7.871
67 H ALA 10 H ALA 10 13.141 -0.227 4.058
68 HA ALA 10 HA ALA 10 15.429 1.365 3.149
69 HB1 ALA 10 1HB ALA 10 14.336 1.521 1.030
70 HB2 ALA 10 2HB ALA 10 14.275 -0.164 1.549
71 HB3 ALA 10 3HB ALA 10 12.842 0.855 1.691
72 H LEU 11 H LEU 11 11.894 1.768 3.460
73 HA LEU 11 HA LEU 11 12.002 4.599 3.339
74 HB2 LEU 11 1HB LEU 11 9.920 2.589 4.071
75 HB3 LEU 11 2HB LEU 11 9.637 4.295 4.413
76 HG LEU 11 HG LEU 11 10.174 3.120 1.685
77 HD11 LEU 11 1HD1 LEU 11 7.693 3.718 3.201
78 HD12 LEU 11 2HD1 LEU 11 8.031 2.436 2.039
79 HD13 LEU 11 3HD1 LEU 11 7.717 4.076 1.474
80 HD21 LEU 11 3HD2 LEU 11 9.404 5.399 0.947
81 HD22 LEU 11 1HD2 LEU 11 10.987 5.349 1.724
82 HD23 LEU 11 2HD2 LEU 11 9.581 5.919 2.624
83 H LEU 12 H LEU 12 12.795 2.430 5.786
84 HA LEU 12 HA LEU 12 12.294 4.402 7.904
85 HB2 LEU 12 1HB LEU 12 12.007 1.613 7.798
86 HB3 LEU 12 2HB LEU 12 13.390 1.917 8.847
87 HG LEU 12 HG LEU 12 10.552 2.855 9.217
88 HD11 LEU 12 1HD1 LEU 12 11.706 0.515 9.946
89 HD12 LEU 12 2HD1 LEU 12 10.371 1.282 10.806
90 HD13 LEU 12 3HD1 LEU 12 12.028 1.509 11.367
91 HD21 LEU 12 3HD2 LEU 12 11.845 4.721 9.854
92 HD22 LEU 12 1HD2 LEU 12 13.075 3.709 10.612
93 HD23 LEU 12 2HD2 LEU 12 11.480 3.859 11.350
94 H ALA 13 H ALA 13 14.830 2.438 6.428
95 HA ALA 13 HA ALA 13 16.851 3.865 8.006
96 HB1 ALA 13 1HB ALA 13 16.617 1.190 7.279
97 HB2 ALA 13 2HB ALA 13 17.910 1.824 6.260
98 HB3 ALA 13 3HB ALA 13 18.017 1.973 8.014
99 H ALA 14 H ALA 14 16.487 2.722 4.641
100 HA ALA 14 HA ALA 14 18.447 4.301 3.492
101 HB1 ALA 14 1HB ALA 14 16.983 2.413 2.484
102 HB2 ALA 14 2HB ALA 14 15.912 3.732 2.011
103 HB3 ALA 14 3HB ALA 14 17.578 3.700 1.434
104 H PHE 15 H PHE 15 15.336 5.205 4.671
105 HA PHE 15 HA PHE 15 14.943 7.552 3.141
106 HB2 PHE 15 1HB PHE 15 13.323 6.219 4.738
107 HB3 PHE 15 2HB PHE 15 13.932 7.343 5.949
108 HD1 PHE 15 HD1 PHE 15 12.780 7.544 2.401
109 HD2 PHE 15 HD2 PHE 15 12.573 9.136 6.342
110 HE1 PHE 15 HE1 PHE 15 11.172 9.239 1.628
111 HE2 PHE 15 HE2 PHE 15 10.965 10.833 5.577
112 HZ PHE 15 HZ PHE 15 10.261 10.885 3.217
113 H LYS 16 H LYS 16 16.873 6.828 5.932
114 HA LYS 16 HA LYS 16 17.252 9.531 6.782
115 HB2 LYS 16 1HB LYS 16 18.639 6.932 7.398
116 HB3 LYS 16 2HB LYS 16 19.243 8.462 8.021
117 HG2 LYS 16 1HG LYS 16 17.845 8.273 9.722
118 HG3 LYS 16 2HG LYS 16 16.496 8.416 8.593
119 HD2 LYS 16 1HD LYS 16 15.973 6.396 9.500
120 HD3 LYS 16 2HD LYS 16 17.054 5.839 8.220
121 HE2 LYS 16 1HE LYS 16 18.781 5.406 9.687
122 HE3 LYS 16 2HE LYS 16 18.184 6.548 10.891
123 HZ1 LYS 16 3HZ LYS 16 16.532 5.052 11.577
124 HZ2 LYS 16 1HZ LYS 16 17.930 4.111 11.424
125 HZ3 LYS 16 2HZ LYS 16 16.736 4.053 10.227
126 H VAL 17 H VAL 17 17.724 10.371 4.591
127 HA VAL 17 HA VAL 17 20.573 10.031 3.911
128 HB VAL 17 HB VAL 17 19.297 11.187 1.698
129 HG11 VAL 17 1HG1 VAL 17 20.187 9.386 0.537
130 HG12 VAL 17 2HG1 VAL 17 21.214 9.469 1.969
131 HG13 VAL 17 3HG1 VAL 17 19.927 8.266 1.874
132 HG21 VAL 17 3HG2 VAL 17 17.744 8.807 2.713
133 HG22 VAL 17 1HG2 VAL 17 17.148 10.464 2.609
134 HG23 VAL 17 2HG2 VAL 17 17.547 9.576 1.139
135 H ARG 18 H ARG 18 18.122 12.178 4.899
136 HA ARG 18 HA ARG 18 19.083 14.608 3.849
137 HB2 ARG 18 1HB ARG 18 16.912 14.706 4.705
138 HB3 ARG 18 2HB ARG 18 17.359 13.883 6.193
139 HG2 ARG 18 1HG ARG 18 18.715 16.443 5.792
140 HG3 ARG 18 2HG ARG 18 16.960 16.560 5.940
141 HD2 ARG 18 1HD ARG 18 17.341 14.944 7.972
142 HD3 ARG 18 2HD ARG 18 18.977 15.599 7.915
143 HE ARG 18 HE ARG 18 18.174 17.605 8.697
144 HH11 ARG 18 1HH1 ARG 18 15.515 15.579 7.727
145 HH12 ARG 18 2HH1 ARG 18 14.306 16.614 8.412
146 HH21 ARG 18 1HH2 ARG 18 16.593 18.976 9.604
147 HH22 ARG 18 2HH2 ARG 18 14.920 18.546 9.479
148 HA PRO 19 HA PRO 19 21.445 15.065 8.054
149 HB2 PRO 19 1HB PRO 19 21.748 12.810 9.534
150 HB3 PRO 19 2HB PRO 19 20.374 13.905 9.723
151 HG2 PRO 19 1HG PRO 19 20.546 11.323 8.218
152 HG3 PRO 19 2HG PRO 19 19.251 11.919 9.272
153 HD2 PRO 19 1HD PRO 19 19.104 12.045 6.572
154 HD3 PRO 19 2HD PRO 19 18.357 13.262 7.627
155 H THR 20 H THR 20 21.753 12.564 5.775
156 HA THR 20 HA THR 20 24.336 11.599 6.376
157 HB THR 20 HB THR 20 22.961 11.753 3.686
158 HG1 THR 20 HG1 THR 20 21.893 10.527 5.412
159 HG21 THR 20 3HG2 THR 20 25.422 10.322 4.644
160 HG22 THR 20 1HG2 THR 20 25.219 11.334 3.215
161 HG23 THR 20 2HG2 THR 20 24.489 9.730 3.270
162 H PHE 21 H PHE 21 23.216 14.511 4.888
163 HA PHE 21 HA PHE 21 25.646 15.149 3.520
164 HB2 PHE 21 1HB PHE 21 23.061 16.134 3.488
165 HB3 PHE 21 2HB PHE 21 23.974 17.429 4.256
166 HD1 PHE 21 HD2 PHE 21 26.293 17.943 3.020
167 HD2 PHE 21 HD1 PHE 21 22.850 16.211 1.213
168 HE1 PHE 21 HE2 PHE 21 27.074 18.701 0.814
169 HE2 PHE 21 HE1 PHE 21 23.626 16.965 -0.997
170 HZ PHE 21 HZ PHE 21 25.740 18.213 -1.198
171 H ALA 22 H ALA 22 24.146 16.274 6.542
172 HA ALA 22 HA ALA 22 26.405 17.887 7.261
173 HB1 ALA 22 1HB ALA 22 24.277 16.989 9.174
174 HB2 ALA 22 2HB ALA 22 25.202 18.491 9.168
175 HB3 ALA 22 3HB ALA 22 23.956 18.218 7.950
176 H ALA 23 H ALA 23 25.271 14.650 8.013
177 HA ALA 23 HA ALA 23 26.905 14.083 10.207
178 HB1 ALA 23 1HB ALA 23 26.635 11.690 9.494
179 HB2 ALA 23 2HB ALA 23 25.131 12.593 9.681
180 HB3 ALA 23 3HB ALA 23 25.780 12.286 8.070
181 H GLY 24 H GLY 24 27.509 13.620 6.732
182 HA2 GLY 24 1HA GLY 24 30.356 13.183 7.390
183 HA3 GLY 24 2HA GLY 24 29.553 12.474 5.997
184 H LEU 25 H LEU 25 28.903 15.761 6.916
185 HA LEU 25 HA LEU 25 29.378 16.856 4.430
186 HB2 LEU 25 1HB LEU 25 29.122 18.945 5.405
187 HB3 LEU 25 2HB LEU 25 28.240 17.870 6.489
188 HG LEU 25 HG LEU 25 30.594 17.885 7.750
189 HD11 LEU 25 1HD1 LEU 25 30.509 20.408 6.136
190 HD12 LEU 25 2HD1 LEU 25 31.854 19.299 6.397
191 HD13 LEU 25 3HD1 LEU 25 31.312 20.350 7.705
192 HD21 LEU 25 3HD2 LEU 25 28.118 19.437 7.947
193 HD22 LEU 25 1HD2 LEU 25 29.495 20.154 8.784
194 HD23 LEU 25 2HD2 LEU 25 28.982 18.512 9.176
195 H LEU 26 H LEU 26 31.637 16.145 6.987
196 HA LEU 26 HA LEU 26 33.789 17.739 6.119
197 HB2 LEU 26 1HB LEU 26 33.426 15.420 7.909
198 HB3 LEU 26 2HB LEU 26 35.053 15.667 7.278
199 HG LEU 26 HG LEU 26 35.068 17.929 8.237
200 HD11 LEU 26 1HD1 LEU 26 33.053 18.851 8.545
201 HD12 LEU 26 2HD1 LEU 26 33.070 17.998 10.089
202 HD13 LEU 26 3HD1 LEU 26 32.250 17.288 8.698
203 HD21 LEU 26 3HD2 LEU 26 36.068 16.305 9.603
204 HD22 LEU 26 1HD2 LEU 26 34.515 15.594 10.043
205 HD23 LEU 26 2HD2 LEU 26 34.969 17.178 10.672
206 H LEU 27 H LEU 27 35.929 16.662 5.405
207 HA LEU 27 HA LEU 27 35.506 14.535 3.448
208 HB2 LEU 27 1HB LEU 27 35.530 17.188 2.680
209 HB3 LEU 27 2HB LEU 27 37.185 16.659 2.383
210 HG LEU 27 HG LEU 27 35.777 16.480 0.384
211 HD11 LEU 27 1HD1 LEU 27 37.510 14.985 0.239
212 HD12 LEU 27 2HD1 LEU 27 36.127 13.899 0.112
213 HD13 LEU 27 3HD1 LEU 27 36.981 14.063 1.647
214 HD21 LEU 27 3HD2 LEU 27 33.705 15.923 1.833
215 HD22 LEU 27 1HD2 LEU 27 34.263 14.256 1.694
216 HD23 LEU 27 2HD2 LEU 27 33.867 15.176 0.243
217 H ARG 28 H ARG 28 36.899 14.754 6.012
218 HA ARG 28 HA ARG 28 39.721 14.692 5.304
219 HB2 ARG 28 1HB ARG 28 38.153 14.874 7.796
220 HB3 ARG 28 2HB ARG 28 39.637 13.938 7.916
221 HG2 ARG 28 1HG ARG 28 40.947 15.808 7.189
222 HG3 ARG 28 2HG ARG 28 39.492 16.747 6.849
223 HD2 ARG 28 1HD ARG 28 39.043 17.108 9.077
224 HD3 ARG 28 2HD ARG 28 39.911 15.663 9.594
225 HE ARG 28 HE ARG 28 41.867 17.254 8.600
226 HH11 ARG 28 1HH1 ARG 28 39.349 17.721 10.959
227 HH12 ARG 28 2HH1 ARG 28 40.254 18.868 11.889
228 HH21 ARG 28 1HH2 ARG 28 43.068 18.764 9.817
229 HH22 ARG 28 2HH2 ARG 28 42.368 19.462 11.238
Start of MODEL 9
1 H1 ASP 1 H ASP 1 2.258 -5.594 6.100
2 HA ASP 1 HA ASP 1 0.381 -5.212 3.859
3 HB2 ASP 1 1HB ASP 1 2.075 -3.299 5.157
4 HB3 ASP 1 2HB ASP 1 2.626 -3.519 3.498
5 H ILE 2 H ILE 2 1.522 -5.159 1.704
6 HA ILE 2 HA ILE 2 3.027 -7.558 1.401
7 HB ILE 2 HB ILE 2 2.660 -5.417 -0.690
8 HG12 ILE 2 1HG1 ILE 2 0.797 -7.686 0.042
9 HG13 ILE 2 2HG1 ILE 2 0.479 -5.972 0.284
10 HG21 ILE 2 1HG2 ILE 2 2.574 -8.230 -1.463
11 HG22 ILE 2 2HG2 ILE 2 3.476 -6.888 -2.164
12 HG23 ILE 2 3HG2 ILE 2 4.112 -7.738 -0.755
13 HD11 ILE 2 3HD1 ILE 2 0.563 -7.534 -2.261
14 HD12 ILE 2 1HD1 ILE 2 -0.705 -6.479 -1.636
15 HD13 ILE 2 2HD1 ILE 2 0.791 -5.785 -2.263
16 H GLY 3 H GLY 3 5.165 -7.871 1.325
17 HA2 GLY 3 1HA GLY 3 7.407 -7.413 1.544
18 HA3 GLY 3 2HA GLY 3 7.108 -6.211 0.298
19 H MET 4 H MET 4 5.703 -6.157 3.521
20 HA MET 4 HA MET 4 6.314 -3.480 3.996
21 HB2 MET 4 1HB MET 4 4.894 -5.474 5.306
22 HB3 MET 4 2HB MET 4 6.169 -5.054 6.442
23 HG2 MET 4 1HG MET 4 4.544 -2.909 5.149
24 HG3 MET 4 2HG MET 4 3.905 -3.806 6.525
25 HE1 MET 4 3HE MET 4 5.560 -2.386 9.523
26 HE2 MET 4 1HE MET 4 3.999 -2.682 8.757
27 HE3 MET 4 2HE MET 4 5.190 -3.979 8.861
28 H GLY 5 H GLY 5 8.293 -6.273 4.236
29 HA2 GLY 5 1HA GLY 5 10.149 -5.291 6.169
30 HA3 GLY 5 2HA GLY 5 10.416 -6.626 5.057
31 H VAL 6 H VAL 6 9.564 -4.412 2.963
32 HA VAL 6 HA VAL 6 12.316 -3.657 2.394
33 HB VAL 6 HB VAL 6 10.607 -4.557 0.671
34 HG11 VAL 6 1HG1 VAL 6 9.061 -3.124 -0.267
35 HG12 VAL 6 2HG1 VAL 6 8.968 -2.683 1.439
36 HG13 VAL 6 3HG1 VAL 6 9.888 -1.680 0.316
37 HG21 VAL 6 3HG2 VAL 6 11.839 -3.608 -1.049
38 HG22 VAL 6 1HG2 VAL 6 11.979 -2.054 -0.226
39 HG23 VAL 6 2HG2 VAL 6 12.922 -3.437 0.333
40 H THR 7 H THR 7 9.302 -2.208 3.394
41 HA THR 7 HA THR 7 10.214 0.499 2.975
42 HB THR 7 HB THR 7 7.872 0.196 2.729
43 HG1 THR 7 HG1 THR 7 7.113 1.681 4.247
44 HG21 THR 7 3HG2 THR 7 7.491 -1.847 3.896
45 HG22 THR 7 1HG2 THR 7 6.475 -0.625 4.658
46 HG23 THR 7 2HG2 THR 7 7.975 -1.132 5.434
47 H TYR 8 H TYR 8 9.864 -1.734 5.677
48 HA TYR 8 HA TYR 8 10.492 0.179 7.696
49 HB2 TYR 8 1HB TYR 8 9.241 -1.971 8.071
50 HB3 TYR 8 2HB TYR 8 10.765 -2.826 7.869
51 HD1 TYR 8 HD1 TYR 8 12.535 -2.630 9.555
52 HD2 TYR 8 HD2 TYR 8 8.764 -0.730 10.081
53 HE1 TYR 8 HE1 TYR 8 13.033 -2.315 11.943
54 HE2 TYR 8 HE2 TYR 8 9.253 -0.409 12.470
55 HH TYR 8 HH TYR 8 11.029 -0.358 13.996
56 H LEU 9 H LEU 9 12.353 -1.456 5.393
57 HA LEU 9 HA LEU 9 14.813 -1.076 6.963
58 HB2 LEU 9 1HB LEU 9 13.920 -3.112 5.088
59 HB3 LEU 9 2HB LEU 9 15.511 -2.471 4.684
60 HG LEU 9 HG LEU 9 14.727 -3.729 7.313
61 HD11 LEU 9 1HD1 LEU 9 16.230 -4.732 4.918
62 HD12 LEU 9 2HD1 LEU 9 14.872 -5.474 5.763
63 HD13 LEU 9 3HD1 LEU 9 16.463 -5.427 6.522
64 HD21 LEU 9 3HD2 LEU 9 16.386 -2.235 7.904
65 HD22 LEU 9 1HD2 LEU 9 17.206 -2.365 6.348
66 HD23 LEU 9 2HD2 LEU 9 17.319 -3.682 7.517
67 H ALA 10 H ALA 10 13.121 -0.194 4.055
68 HA ALA 10 HA ALA 10 15.427 1.364 3.121
69 HB1 ALA 10 1HB ALA 10 14.245 -0.182 1.542
70 HB2 ALA 10 2HB ALA 10 12.840 0.878 1.657
71 HB3 ALA 10 3HB ALA 10 14.357 1.491 0.997
72 H LEU 11 H LEU 11 11.894 1.780 3.438
73 HA LEU 11 HA LEU 11 12.024 4.615 3.303
74 HB2 LEU 11 1HB LEU 11 9.914 2.625 4.018
75 HB3 LEU 11 2HB LEU 11 9.643 4.338 4.333
76 HG LEU 11 HG LEU 11 10.219 3.131 1.627
77 HD11 LEU 11 1HD1 LEU 11 8.070 2.434 2.018
78 HD12 LEU 11 2HD1 LEU 11 7.778 4.030 1.326
79 HD13 LEU 11 3HD1 LEU 11 7.700 3.799 3.073
80 HD21 LEU 11 3HD2 LEU 11 10.246 5.846 2.637
81 HD22 LEU 11 1HD2 LEU 11 9.074 5.638 1.336
82 HD23 LEU 11 2HD2 LEU 11 10.766 5.216 1.073
83 H LEU 12 H LEU 12 12.771 2.440 5.757
84 HA LEU 12 HA LEU 12 12.264 4.420 7.868
85 HB2 LEU 12 1HB LEU 12 11.980 1.612 7.752
86 HB3 LEU 12 2HB LEU 12 13.293 1.952 8.878
87 HG LEU 12 HG LEU 12 11.156 1.720 10.033
88 HD11 LEU 12 1HD1 LEU 12 12.220 3.094 11.428
89 HD12 LEU 12 2HD1 LEU 12 11.212 4.374 10.754
90 HD13 LEU 12 3HD1 LEU 12 12.831 4.097 10.112
91 HD21 LEU 12 3HD2 LEU 12 9.921 2.718 7.954
92 HD22 LEU 12 1HD2 LEU 12 10.168 4.248 8.795
93 HD23 LEU 12 2HD2 LEU 12 9.267 2.948 9.576
94 H ALA 13 H ALA 13 14.783 2.455 6.382
95 HA ALA 13 HA ALA 13 16.808 3.823 8.011
96 HB1 ALA 13 1HB ALA 13 16.566 1.180 7.445
97 HB2 ALA 13 2HB ALA 13 17.700 1.696 6.196
98 HB3 ALA 13 3HB ALA 13 18.075 1.973 7.897
99 H ALA 14 H ALA 14 16.468 2.711 4.633
100 HA ALA 14 HA ALA 14 18.465 4.279 3.526
101 HB1 ALA 14 1HB ALA 14 17.000 2.403 2.487
102 HB2 ALA 14 2HB ALA 14 15.957 3.736 1.992
103 HB3 ALA 14 3HB ALA 14 17.636 3.683 1.453
104 H PHE 15 H PHE 15 15.348 5.199 4.667
105 HA PHE 15 HA PHE 15 14.993 7.554 3.135
106 HB2 PHE 15 1HB PHE 15 13.341 6.216 4.705
107 HB3 PHE 15 2HB PHE 15 13.923 7.350 5.919
108 HD1 PHE 15 HD1 PHE 15 12.413 7.202 2.528
109 HD2 PHE 15 HD2 PHE 15 12.984 9.464 6.088
110 HE1 PHE 15 HE1 PHE 15 10.818 8.888 1.709
111 HE2 PHE 15 HE2 PHE 15 11.390 11.152 5.276
112 HZ PHE 15 HZ PHE 15 10.304 10.865 3.084
113 H LYS 16 H LYS 16 16.883 6.800 5.939
114 HA LYS 16 HA LYS 16 17.252 9.492 6.828
115 HB2 LYS 16 1HB LYS 16 18.617 6.882 7.435
116 HB3 LYS 16 2HB LYS 16 19.231 8.401 8.075
117 HG2 LYS 16 1HG LYS 16 17.814 8.219 9.761
118 HG3 LYS 16 2HG LYS 16 16.475 8.372 8.620
119 HD2 LYS 16 1HD LYS 16 15.937 6.351 9.520
120 HD3 LYS 16 2HD LYS 16 17.023 5.794 8.245
121 HE2 LYS 16 1HE LYS 16 18.142 4.747 9.870
122 HE3 LYS 16 2HE LYS 16 18.738 6.343 10.324
123 HZ1 LYS 16 3HZ LYS 16 17.382 6.443 12.115
124 HZ2 LYS 16 1HZ LYS 16 17.501 4.758 12.022
125 HZ3 LYS 16 2HZ LYS 16 16.144 5.546 11.392
126 H VAL 17 H VAL 17 17.747 10.339 4.636
127 HA VAL 17 HA VAL 17 20.610 10.018 4.005
128 HB VAL 17 HB VAL 17 19.373 11.168 1.770
129 HG11 VAL 17 1HG1 VAL 17 20.281 9.364 0.626
130 HG12 VAL 17 2HG1 VAL 17 21.282 9.448 2.077
131 HG13 VAL 17 3HG1 VAL 17 19.996 8.246 1.960
132 HG21 VAL 17 3HG2 VAL 17 17.205 10.446 2.645
133 HG22 VAL 17 1HG2 VAL 17 17.631 9.562 1.179
134 HG23 VAL 17 2HG2 VAL 17 17.798 8.789 2.755
135 H ARG 18 H ARG 18 18.125 12.149 4.947
136 HA ARG 18 HA ARG 18 19.094 14.586 3.921
137 HB2 ARG 18 1HB ARG 18 16.905 14.670 4.731
138 HB3 ARG 18 2HB ARG 18 17.325 13.848 6.227
139 HG2 ARG 18 1HG ARG 18 18.674 16.416 5.858
140 HG3 ARG 18 2HG ARG 18 16.916 16.523 5.968
141 HD2 ARG 18 1HD ARG 18 17.265 14.907 8.006
142 HD3 ARG 18 2HD ARG 18 18.898 15.571 7.984
143 HE ARG 18 HE ARG 18 18.067 17.571 8.752
144 HH11 ARG 18 1HH1 ARG 18 15.440 15.531 7.724
145 HH12 ARG 18 2HH1 ARG 18 14.211 16.559 8.385
146 HH21 ARG 18 1HH2 ARG 18 16.459 18.932 9.627
147 HH22 ARG 18 2HH2 ARG 18 14.792 18.493 9.467
148 HA PRO 19 HA PRO 19 21.365 15.051 8.174
149 HB2 PRO 19 1HB PRO 19 21.650 12.795 9.658
150 HB3 PRO 19 2HB PRO 19 20.266 13.882 9.819
151 HG2 PRO 19 1HG PRO 19 20.484 11.303 8.315
152 HG3 PRO 19 2HG PRO 19 19.164 11.891 9.343
153 HD2 PRO 19 1HD PRO 19 19.073 12.020 6.640
154 HD3 PRO 19 2HD PRO 19 18.297 13.231 7.680
155 H THR 20 H THR 20 21.735 12.557 5.897
156 HA THR 20 HA THR 20 24.311 11.606 6.551
157 HB THR 20 HB THR 20 22.992 11.754 3.834
158 HG1 THR 20 HG1 THR 20 22.070 10.477 5.764
159 HG21 THR 20 3HG2 THR 20 25.518 10.529 4.818
160 HG22 THR 20 1HG2 THR 20 25.151 11.257 3.255
161 HG23 THR 20 2HG2 THR 20 24.571 9.634 3.630
162 H PHE 21 H PHE 21 23.203 14.508 5.032
163 HA PHE 21 HA PHE 21 25.658 15.162 3.720
164 HB2 PHE 21 1HB PHE 21 23.068 16.130 3.633
165 HB3 PHE 21 2HB PHE 21 23.956 17.432 4.417
166 HD1 PHE 21 HD1 PHE 21 25.974 18.389 3.258
167 HD2 PHE 21 HD2 PHE 21 23.226 15.774 1.325
168 HE1 PHE 21 HE1 PHE 21 26.796 19.150 1.067
169 HE2 PHE 21 HE2 PHE 21 24.045 16.530 -0.868
170 HZ PHE 21 HZ PHE 21 25.832 18.220 -1.000
171 H ALA 22 H ALA 22 24.086 16.274 6.710
172 HA ALA 22 HA ALA 22 26.313 17.908 7.477
173 HB1 ALA 22 1HB ALA 22 23.680 17.207 8.623
174 HB2 ALA 22 2HB ALA 22 24.935 17.703 9.759
175 HB3 ALA 22 3HB ALA 22 24.460 18.778 8.444
176 H ALA 23 H ALA 23 25.182 14.666 8.232
177 HA ALA 23 HA ALA 23 26.817 14.128 10.438
178 HB1 ALA 23 1HB ALA 23 25.860 12.186 8.338
179 HB2 ALA 23 2HB ALA 23 26.426 11.780 9.959
180 HB3 ALA 23 3HB ALA 23 24.939 12.705 9.750
181 H GLY 24 H GLY 24 27.416 13.722 6.965
182 HA2 GLY 24 1HA GLY 24 30.252 13.197 7.615
183 HA3 GLY 24 2HA GLY 24 29.435 12.535 6.206
184 H LEU 25 H LEU 25 28.849 15.814 7.195
185 HA LEU 25 HA LEU 25 29.394 16.929 4.715
186 HB2 LEU 25 1HB LEU 25 29.081 19.006 5.698
187 HB3 LEU 25 2HB LEU 25 28.161 17.917 6.733
188 HG LEU 25 HG LEU 25 30.495 17.946 8.067
189 HD11 LEU 25 1HD1 LEU 25 31.585 19.492 6.561
190 HD12 LEU 25 2HD1 LEU 25 31.320 20.263 8.124
191 HD13 LEU 25 3HD1 LEU 25 30.272 20.653 6.760
192 HD21 LEU 25 3HD2 LEU 25 29.284 20.118 9.157
193 HD22 LEU 25 1HD2 LEU 25 28.804 18.447 9.455
194 HD23 LEU 25 2HD2 LEU 25 27.956 19.406 8.241
195 H LEU 26 H LEU 26 31.547 16.149 7.328
196 HA LEU 26 HA LEU 26 33.726 17.783 6.610
197 HB2 LEU 26 1HB LEU 26 33.294 15.408 8.305
198 HB3 LEU 26 2HB LEU 26 34.944 15.663 7.742
199 HG LEU 26 HG LEU 26 34.919 17.906 8.766
200 HD11 LEU 26 1HD1 LEU 26 32.103 17.282 9.053
201 HD12 LEU 26 2HD1 LEU 26 32.934 18.834 9.150
202 HD13 LEU 26 3HD1 LEU 26 32.833 17.798 10.573
203 HD21 LEU 26 3HD2 LEU 26 34.197 15.664 10.651
204 HD22 LEU 26 1HD2 LEU 26 35.032 17.155 11.086
205 HD23 LEU 26 2HD2 LEU 26 35.804 15.996 10.003
206 H LEU 27 H LEU 27 32.502 14.821 5.306
207 HA LEU 27 HA LEU 27 34.876 13.967 3.994
208 HB2 LEU 27 1HB LEU 27 32.405 12.887 4.453
209 HB3 LEU 27 2HB LEU 27 32.342 13.234 2.726
210 HG LEU 27 HG LEU 27 33.036 10.975 2.983
211 HD11 LEU 27 1HD1 LEU 27 35.179 10.978 1.880
212 HD12 LEU 27 2HD1 LEU 27 35.495 12.626 2.424
213 HD13 LEU 27 3HD1 LEU 27 34.202 12.312 1.267
214 HD21 LEU 27 3HD2 LEU 27 35.483 10.977 4.268
215 HD22 LEU 27 1HD2 LEU 27 33.956 10.390 4.925
216 HD23 LEU 27 2HD2 LEU 27 34.484 12.039 5.261
217 H ARG 28 H ARG 28 32.340 16.219 3.212
218 HA ARG 28 HA ARG 28 33.184 16.444 0.439
219 HB2 ARG 28 1HB ARG 28 31.099 18.006 1.976
220 HB3 ARG 28 2HB ARG 28 31.364 18.076 0.239
221 HG2 ARG 28 1HG ARG 28 30.909 15.533 0.304
222 HG3 ARG 28 2HG ARG 28 30.193 15.873 1.881
223 HD2 ARG 28 1HD ARG 28 28.332 16.585 0.903
224 HD3 ARG 28 2HD ARG 28 29.245 17.804 0.016
225 HE ARG 28 HE ARG 28 29.033 16.517 -1.852
226 HH11 ARG 28 1HH1 ARG 28 28.531 14.505 0.944
227 HH12 ARG 28 2HH1 ARG 28 28.098 13.105 0.020
228 HH21 ARG 28 1HH2 ARG 28 28.464 14.681 -3.080
229 HH22 ARG 28 2HH2 ARG 28 28.061 13.206 -2.269
Start of MODEL 10
1 H1 ASP 1 H ASP 1 2.710 -6.443 5.109
2 HA ASP 1 HA ASP 1 0.731 -6.319 2.946
3 HB2 ASP 1 1HB ASP 1 2.207 -4.323 4.130
4 HB3 ASP 1 2HB ASP 1 3.135 -4.662 2.672
5 H ILE 2 H ILE 2 1.835 -6.090 0.698
6 HA ILE 2 HA ILE 2 2.882 -8.529 -0.047
7 HB ILE 2 HB ILE 2 1.948 -6.998 -1.680
8 HG12 ILE 2 1HG1 ILE 2 4.832 -7.314 -2.468
9 HG13 ILE 2 2HG1 ILE 2 3.802 -8.723 -2.241
10 HG21 ILE 2 1HG2 ILE 2 4.433 -5.323 -1.414
11 HG22 ILE 2 2HG2 ILE 2 2.986 -4.976 -2.360
12 HG23 ILE 2 3HG2 ILE 2 2.916 -4.943 -0.598
13 HD11 ILE 2 3HD1 ILE 2 3.528 -8.400 -4.468
14 HD12 ILE 2 1HD1 ILE 2 2.220 -7.379 -3.871
15 HD13 ILE 2 2HD1 ILE 2 3.753 -6.655 -4.358
16 H GLY 3 H GLY 3 4.587 -5.611 0.957
17 HA2 GLY 3 1HA GLY 3 6.952 -7.181 1.521
18 HA3 GLY 3 2HA GLY 3 7.155 -6.004 0.232
19 H MET 4 H MET 4 5.866 -6.190 3.552
20 HA MET 4 HA MET 4 6.323 -3.417 4.054
21 HB2 MET 4 1HB MET 4 4.911 -5.486 5.296
22 HB3 MET 4 2HB MET 4 6.153 -5.030 6.454
23 HG2 MET 4 1HG MET 4 4.667 -2.819 5.188
24 HG3 MET 4 2HG MET 4 3.764 -3.843 6.302
25 HE1 MET 4 3HE MET 4 4.221 -3.435 9.273
26 HE2 MET 4 1HE MET 4 4.977 -4.742 8.360
27 HE3 MET 4 2HE MET 4 5.947 -3.753 9.452
28 H GLY 5 H GLY 5 8.272 -6.237 4.193
29 HA2 GLY 5 1HA GLY 5 10.129 -5.341 6.169
30 HA3 GLY 5 2HA GLY 5 10.382 -6.648 5.022
31 H VAL 6 H VAL 6 9.606 -4.450 2.932
32 HA VAL 6 HA VAL 6 12.362 -3.672 2.440
33 HB VAL 6 HB VAL 6 10.126 -2.826 0.653
34 HG11 VAL 6 1HG1 VAL 6 13.020 -3.493 0.421
35 HG12 VAL 6 2HG1 VAL 6 11.983 -3.697 -0.993
36 HG13 VAL 6 3HG1 VAL 6 12.123 -2.117 -0.222
37 HG21 VAL 6 3HG2 VAL 6 9.366 -4.985 0.823
38 HG22 VAL 6 1HG2 VAL 6 10.563 -5.166 -0.460
39 HG23 VAL 6 2HG2 VAL 6 10.963 -5.635 1.193
40 H THR 7 H THR 7 9.310 -2.223 3.341
41 HA THR 7 HA THR 7 10.214 0.484 2.965
42 HB THR 7 HB THR 7 7.860 0.082 2.719
43 HG1 THR 7 HG1 THR 7 7.922 1.356 5.225
44 HG21 THR 7 3HG2 THR 7 6.470 -0.662 4.628
45 HG22 THR 7 1HG2 THR 7 7.941 -0.951 5.556
46 HG23 THR 7 2HG2 THR 7 7.617 -1.894 4.102
47 H TYR 8 H TYR 8 9.875 -1.756 5.663
48 HA TYR 8 HA TYR 8 10.486 0.158 7.686
49 HB2 TYR 8 1HB TYR 8 9.247 -1.995 8.062
50 HB3 TYR 8 2HB TYR 8 10.772 -2.847 7.849
51 HD1 TYR 8 HD1 TYR 8 12.550 -2.656 9.527
52 HD2 TYR 8 HD2 TYR 8 8.779 -0.764 10.081
53 HE1 TYR 8 HE1 TYR 8 13.060 -2.351 11.914
54 HE2 TYR 8 HE2 TYR 8 9.279 -0.453 12.468
55 HH TYR 8 HH TYR 8 10.815 -0.646 14.069
56 H LEU 9 H LEU 9 12.362 -1.463 5.384
57 HA LEU 9 HA LEU 9 14.816 -1.060 6.959
58 HB2 LEU 9 1HB LEU 9 13.945 -3.107 5.079
59 HB3 LEU 9 2HB LEU 9 15.540 -2.461 4.698
60 HG LEU 9 HG LEU 9 14.722 -3.717 7.318
61 HD11 LEU 9 1HD1 LEU 9 15.039 -5.612 6.176
62 HD12 LEU 9 2HD1 LEU 9 16.753 -5.208 6.266
63 HD13 LEU 9 3HD1 LEU 9 15.821 -4.784 4.829
64 HD21 LEU 9 3HD2 LEU 9 17.172 -2.294 6.401
65 HD22 LEU 9 1HD2 LEU 9 17.344 -3.671 7.489
66 HD23 LEU 9 2HD2 LEU 9 16.378 -2.278 7.976
67 H ALA 10 H ALA 10 13.114 -0.188 4.059
68 HA ALA 10 HA ALA 10 15.414 1.367 3.106
69 HB1 ALA 10 1HB ALA 10 14.303 1.513 0.993
70 HB2 ALA 10 2HB ALA 10 14.245 -0.168 1.525
71 HB3 ALA 10 3HB ALA 10 12.815 0.853 1.671
72 H LEU 11 H LEU 11 11.883 1.788 3.443
73 HA LEU 11 HA LEU 11 12.020 4.624 3.311
74 HB2 LEU 11 1HB LEU 11 9.905 2.639 4.029
75 HB3 LEU 11 2HB LEU 11 9.640 4.353 4.341
76 HG LEU 11 HG LEU 11 10.206 3.136 1.638
77 HD11 LEU 11 1HD1 LEU 11 7.774 4.038 1.329
78 HD12 LEU 11 2HD1 LEU 11 7.692 3.838 3.079
79 HD13 LEU 11 3HD1 LEU 11 8.053 2.453 2.050
80 HD21 LEU 11 3HD2 LEU 11 9.433 5.420 0.877
81 HD22 LEU 11 1HD2 LEU 11 11.026 5.352 1.632
82 HD23 LEU 11 2HD2 LEU 11 9.641 5.948 2.547
83 H LEU 12 H LEU 12 12.764 2.441 5.760
84 HA LEU 12 HA LEU 12 12.265 4.417 7.876
85 HB2 LEU 12 1HB LEU 12 11.977 1.609 7.754
86 HB3 LEU 12 2HB LEU 12 13.292 1.946 8.879
87 HG LEU 12 HG LEU 12 11.470 3.669 9.819
88 HD11 LEU 12 1HD1 LEU 12 9.335 3.221 9.338
89 HD12 LEU 12 2HD1 LEU 12 9.590 1.477 9.392
90 HD13 LEU 12 3HD1 LEU 12 9.976 2.379 7.926
91 HD21 LEU 12 3HD2 LEU 12 11.934 0.771 10.411
92 HD22 LEU 12 1HD2 LEU 12 10.767 1.709 11.344
93 HD23 LEU 12 2HD2 LEU 12 12.463 2.194 11.311
94 H ALA 13 H ALA 13 14.778 2.458 6.375
95 HA ALA 13 HA ALA 13 16.809 3.817 8.005
96 HB1 ALA 13 1HB ALA 13 18.000 1.933 7.958
97 HB2 ALA 13 2HB ALA 13 16.545 1.161 7.327
98 HB3 ALA 13 3HB ALA 13 17.787 1.742 6.218
99 H ALA 14 H ALA 14 16.462 2.712 4.626
100 HA ALA 14 HA ALA 14 18.458 4.282 3.518
101 HB1 ALA 14 1HB ALA 14 15.949 3.744 1.986
102 HB2 ALA 14 2HB ALA 14 17.628 3.687 1.447
103 HB3 ALA 14 3HB ALA 14 16.989 2.407 2.479
104 H PHE 15 H PHE 15 15.344 5.201 4.667
105 HA PHE 15 HA PHE 15 14.987 7.558 3.139
106 HB2 PHE 15 1HB PHE 15 13.337 6.217 4.708
107 HB3 PHE 15 2HB PHE 15 13.920 7.350 5.923
108 HD1 PHE 15 HD1 PHE 15 12.474 7.250 2.496
109 HD2 PHE 15 HD2 PHE 15 12.913 9.418 6.133
110 HE1 PHE 15 HE1 PHE 15 10.878 8.936 1.680
111 HE2 PHE 15 HE2 PHE 15 11.317 11.106 5.323
112 HZ PHE 15 HZ PHE 15 10.296 10.866 3.095
113 H LYS 16 H LYS 16 16.881 6.798 5.938
114 HA LYS 16 HA LYS 16 17.250 9.489 6.832
115 HB2 LYS 16 1HB LYS 16 18.616 6.876 7.432
116 HB3 LYS 16 2HB LYS 16 19.232 8.394 8.073
117 HG2 LYS 16 1HG LYS 16 17.819 8.210 9.762
118 HG3 LYS 16 2HG LYS 16 16.478 8.366 8.625
119 HD2 LYS 16 1HD LYS 16 15.938 6.344 9.519
120 HD3 LYS 16 2HD LYS 16 17.024 5.788 8.243
121 HE2 LYS 16 1HE LYS 16 18.243 6.497 10.849
122 HE3 LYS 16 2HE LYS 16 17.272 5.026 10.789
123 HZ1 LYS 16 3HZ LYS 16 19.498 4.432 10.305
124 HZ2 LYS 16 1HZ LYS 16 19.667 5.670 9.164
125 HZ3 LYS 16 2HZ LYS 16 18.653 4.354 8.842
126 H VAL 17 H VAL 17 17.742 10.338 4.640
127 HA VAL 17 HA VAL 17 20.604 10.020 4.005
128 HB VAL 17 HB VAL 17 19.364 11.172 1.773
129 HG11 VAL 17 1HG1 VAL 17 21.272 9.445 2.085
130 HG12 VAL 17 2HG1 VAL 17 19.981 8.249 1.947
131 HG13 VAL 17 3HG1 VAL 17 20.282 9.380 0.627
132 HG21 VAL 17 3HG2 VAL 17 17.620 9.568 1.182
133 HG22 VAL 17 1HG2 VAL 17 17.793 8.791 2.756
134 HG23 VAL 17 2HG2 VAL 17 17.197 10.448 2.651
135 H ARG 18 H ARG 18 18.118 12.148 4.953
136 HA ARG 18 HA ARG 18 19.083 14.587 3.928
137 HB2 ARG 18 1HB ARG 18 16.895 14.668 4.740
138 HB3 ARG 18 2HB ARG 18 17.317 13.844 6.235
139 HG2 ARG 18 1HG ARG 18 18.663 16.415 5.867
140 HG3 ARG 18 2HG ARG 18 16.905 16.519 5.980
141 HD2 ARG 18 1HD ARG 18 17.257 14.902 8.015
142 HD3 ARG 18 2HD ARG 18 18.890 15.567 7.992
143 HE ARG 18 HE ARG 18 16.491 16.899 8.831
144 HH11 ARG 18 1HH1 ARG 18 19.699 17.341 7.552
145 HH12 ARG 18 2HH1 ARG 18 19.858 18.957 8.156
146 HH21 ARG 18 1HH2 ARG 18 16.689 19.025 9.632
147 HH22 ARG 18 2HH2 ARG 18 18.145 19.914 9.340
148 HA PRO 19 HA PRO 19 21.357 15.050 8.181
149 HB2 PRO 19 1HB PRO 19 21.646 12.792 9.661
150 HB3 PRO 19 2HB PRO 19 20.260 13.878 9.825
151 HG2 PRO 19 1HG PRO 19 20.480 11.301 8.317
152 HG3 PRO 19 2HG PRO 19 19.160 11.885 9.347
153 HD2 PRO 19 1HD PRO 19 19.067 12.018 6.644
154 HD3 PRO 19 2HD PRO 19 18.290 13.227 7.687
155 H THR 20 H THR 20 21.728 12.557 5.902
156 HA THR 20 HA THR 20 24.305 11.607 6.552
157 HB THR 20 HB THR 20 22.983 11.760 3.836
158 HG1 THR 20 HG1 THR 20 23.007 9.761 5.864
159 HG21 THR 20 3HG2 THR 20 25.371 10.210 4.833
160 HG22 THR 20 1HG2 THR 20 25.326 11.397 3.530
161 HG23 THR 20 2HG2 THR 20 24.523 9.839 3.332
162 H PHE 21 H PHE 21 23.196 14.516 5.050
163 HA PHE 21 HA PHE 21 25.649 15.174 3.734
164 HB2 PHE 21 1HB PHE 21 23.059 16.142 3.652
165 HB3 PHE 21 2HB PHE 21 23.947 17.440 4.443
166 HD1 PHE 21 HD1 PHE 21 26.428 17.694 3.212
167 HD2 PHE 21 HD2 PHE 21 22.754 16.507 1.419
168 HE1 PHE 21 HE1 PHE 21 27.250 18.465 1.025
169 HE2 PHE 21 HE2 PHE 21 23.571 17.276 -0.771
170 HZ PHE 21 HZ PHE 21 25.822 18.255 -0.970
171 H ALA 22 H ALA 22 24.081 16.280 6.728
172 HA ALA 22 HA ALA 22 26.314 17.905 7.498
173 HB1 ALA 22 1HB ALA 22 23.970 16.979 9.154
174 HB2 ALA 22 2HB ALA 22 25.090 18.281 9.558
175 HB3 ALA 22 3HB ALA 22 24.013 18.443 8.171
176 H ALA 23 H ALA 23 25.186 14.659 8.217
177 HA ALA 23 HA ALA 23 26.778 14.096 10.442
178 HB1 ALA 23 1HB ALA 23 24.994 12.619 9.818
179 HB2 ALA 23 2HB ALA 23 25.768 12.263 8.273
180 HB3 ALA 23 3HB ALA 23 26.509 11.716 9.777
181 H GLY 24 H GLY 24 27.457 13.646 6.979
182 HA2 GLY 24 1HA GLY 24 30.293 13.228 7.696
183 HA3 GLY 24 2HA GLY 24 29.525 12.517 6.284
184 H LEU 25 H LEU 25 28.833 15.797 7.199
185 HA LEU 25 HA LEU 25 29.350 16.902 4.725
186 HB2 LEU 25 1HB LEU 25 29.061 18.986 5.700
187 HB3 LEU 25 2HB LEU 25 28.165 17.903 6.763
188 HG LEU 25 HG LEU 25 30.491 17.930 8.073
189 HD11 LEU 25 1HD1 LEU 25 30.910 20.607 7.919
190 HD12 LEU 25 2HD1 LEU 25 30.593 20.210 6.231
191 HD13 LEU 25 3HD1 LEU 25 31.889 19.389 7.101
192 HD21 LEU 25 3HD2 LEU 25 28.798 20.327 8.505
193 HD22 LEU 25 1HD2 LEU 25 29.387 19.129 9.658
194 HD23 LEU 25 2HD2 LEU 25 28.022 18.746 8.609
195 H LEU 26 H LEU 26 31.563 16.199 7.325
196 HA LEU 26 HA LEU 26 33.721 17.810 6.505
197 HB2 LEU 26 1HB LEU 26 33.337 15.483 8.281
198 HB3 LEU 26 2HB LEU 26 34.975 15.743 7.683
199 HG LEU 26 HG LEU 26 34.949 18.007 8.646
200 HD11 LEU 26 1HD1 LEU 26 32.917 18.032 10.468
201 HD12 LEU 26 2HD1 LEU 26 32.134 17.338 9.048
202 HD13 LEU 26 3HD1 LEU 26 32.925 18.910 8.937
203 HD21 LEU 26 3HD2 LEU 26 34.839 17.252 11.072
204 HD22 LEU 26 1HD2 LEU 26 35.944 16.374 10.014
205 HD23 LEU 26 2HD2 LEU 26 34.387 15.666 10.445
206 H LEU 27 H LEU 27 33.722 14.260 6.310
207 HA LEU 27 HA LEU 27 35.680 14.107 4.329
208 HB2 LEU 27 1HB LEU 27 33.514 12.057 4.652
209 HB3 LEU 27 2HB LEU 27 35.196 11.815 4.185
210 HG LEU 27 HG LEU 27 35.404 12.861 6.724
211 HD11 LEU 27 1HD1 LEU 27 32.874 12.516 6.830
212 HD12 LEU 27 2HD1 LEU 27 33.847 11.848 8.141
213 HD13 LEU 27 3HD1 LEU 27 33.238 10.790 6.867
214 HD21 LEU 27 3HD2 LEU 27 36.820 11.138 6.454
215 HD22 LEU 27 1HD2 LEU 27 35.707 10.254 5.409
216 HD23 LEU 27 2HD2 LEU 27 35.516 10.183 7.161
217 H ARG 28 H ARG 28 35.507 13.453 2.101
218 HA ARG 28 HA ARG 28 34.772 13.738 -0.032
219 HB2 ARG 28 1HB ARG 28 32.975 12.164 1.053
220 HB3 ARG 28 2HB ARG 28 31.934 13.575 0.909
221 HG2 ARG 28 1HG ARG 28 32.024 13.558 -1.415
222 HG3 ARG 28 2HG ARG 28 33.470 12.547 -1.445
223 HD2 ARG 28 1HD ARG 28 32.280 10.615 -0.928
224 HD3 ARG 28 2HD ARG 28 30.910 11.518 -0.282
225 HE ARG 28 HE ARG 28 31.219 12.086 -3.026
226 HH11 ARG 28 1HH1 ARG 28 30.206 9.540 -0.879
227 HH12 ARG 28 2HH1 ARG 28 29.116 8.830 -2.024
228 HH21 ARG 28 1HH2 ARG 28 29.788 11.161 -4.542
229 HH22 ARG 28 2HH2 ARG 28 28.880 9.753 -4.108