Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25769 | 2kbv RC | 16056 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 446 HA2 ACE 446 19.034 -0.108 -22.241
2 H2 ACE 446 HA3 ACE 446 20.286 0.078 -21.012
3 H3 ACE 446 HA1 ACE 446 19.813 1.457 -22.003
4 H LYS 447 HN LYS 447 18.294 -0.961 -19.850
5 HA LYS 447 HA LYS 447 16.953 1.217 -18.413
6 HB2 LYS 447 HB2 LYS 447 15.418 0.368 -20.228
7 HB3 LYS 447 HB1 LYS 447 15.430 -1.195 -19.411
8 HG2 LYS 447 HG2 LYS 447 14.637 -0.059 -17.328
9 HG3 LYS 447 HG1 LYS 447 14.504 1.444 -18.240
10 HD2 LYS 447 HD2 LYS 447 12.355 0.700 -18.546
11 HD3 LYS 447 HD1 LYS 447 13.109 -0.173 -19.882
12 HE2 LYS 447 HE2 LYS 447 13.563 -2.013 -18.069
13 HE3 LYS 447 HE1 LYS 447 12.268 -1.205 -17.187
14 HZ1 LYS 447 HZ1 LYS 447 10.841 -1.466 -19.123
15 HZ2 LYS 447 HZ2 LYS 447 11.402 -2.973 -18.574
16 HZ3 LYS 447 HZ3 LYS 447 12.086 -2.261 -19.957
17 H ASP 448 HN ASP 448 17.800 -2.199 -18.641
18 HA ASP 448 HA ASP 448 17.090 -2.833 -15.938
19 HB2 ASP 448 HB2 ASP 448 18.909 -4.257 -17.894
20 HB3 ASP 448 HB1 ASP 448 18.353 -4.922 -16.359
21 H GLN 449 HN GLN 449 20.156 -2.132 -17.600
22 HA GLN 449 HA GLN 449 21.947 -2.515 -15.535
23 HB2 GLN 449 HB2 GLN 449 21.925 -0.405 -17.701
24 HB3 GLN 449 HB1 GLN 449 23.299 -0.689 -16.632
25 HG2 GLN 449 HG2 GLN 449 22.184 -3.113 -17.906
26 HG3 GLN 449 HG1 GLN 449 22.940 -1.969 -19.013
27 HE21 GLN 449 HE21 GLN 449 23.665 -3.322 -15.735
28 HE22 GLN 449 HE22 GLN 449 25.311 -3.583 -16.059
29 H PHE 450 HN PHE 450 19.396 -0.272 -15.684
30 HA PHE 450 HA PHE 450 20.604 1.597 -13.790
31 HB2 PHE 450 HB2 PHE 450 17.869 1.515 -15.085
32 HB3 PHE 450 HB1 PHE 450 18.422 2.786 -13.994
33 HD1 PHE 450 HD1 PHE 450 19.082 1.129 -17.257
34 HD2 PHE 450 HD2 PHE 450 19.897 4.510 -14.736
35 HE1 PHE 450 HE1 PHE 450 20.207 2.269 -19.150
36 HE2 PHE 450 HE2 PHE 450 21.021 5.650 -16.630
37 HZ PHE 450 HZ PHE 450 21.176 4.530 -18.836
38 H ILE 451 HN ILE 451 18.109 -0.898 -13.908
39 HA ILE 451 HA ILE 451 17.153 -0.452 -11.245
40 HB ILE 451 HB ILE 451 16.885 -2.768 -13.168
41 HG12 ILE 451 HG12 ILE 451 14.626 -1.103 -12.142
42 HG13 ILE 451 HG11 ILE 451 15.719 -0.361 -13.311
43 HG21 ILE 451 HG21 ILE 451 16.540 -3.935 -11.214
44 HG22 ILE 451 HG22 ILE 451 14.936 -3.219 -11.377
45 HG23 ILE 451 HG23 ILE 451 16.124 -2.486 -10.298
46 HD11 ILE 451 HD11 ILE 451 14.663 -3.116 -13.853
47 HD12 ILE 451 HD12 ILE 451 15.165 -1.868 -14.994
48 HD13 ILE 451 HD13 ILE 451 13.622 -1.723 -14.153
49 H ILE 452 HN ILE 452 19.149 -3.052 -12.670
50 HA ILE 452 HA ILE 452 19.787 -4.346 -10.271
51 HB ILE 452 HB ILE 452 21.670 -5.326 -11.510
52 HG12 ILE 452 HG12 ILE 452 21.414 -4.282 -14.080
53 HG13 ILE 452 HG11 ILE 452 21.351 -2.857 -13.042
54 HG21 ILE 452 HG21 ILE 452 18.953 -5.478 -12.152
55 HG22 ILE 452 HG22 ILE 452 20.204 -6.624 -12.634
56 HG23 ILE 452 HG23 ILE 452 19.761 -5.299 -13.711
57 HD11 ILE 452 HD11 ILE 452 23.504 -4.992 -13.027
58 HD12 ILE 452 HD12 ILE 452 23.420 -3.643 -11.895
59 HD13 ILE 452 HD13 ILE 452 23.676 -3.337 -13.612
60 H ALA 453 HN ALA 453 20.618 -1.256 -11.258
61 HA ALA 453 HA ALA 453 23.197 -1.187 -9.889
62 HB1 ALA 453 HB1 ALA 453 23.425 0.269 -11.624
63 HB2 ALA 453 HB2 ALA 453 22.682 1.401 -10.493
64 HB3 ALA 453 HB3 ALA 453 21.694 0.595 -11.711
65 H TYR 454 HN TYR 454 19.859 -0.290 -9.379
66 HA TYR 454 HA TYR 454 20.521 0.427 -6.606
67 HB2 TYR 454 HB2 TYR 454 18.682 2.085 -8.347
68 HB3 TYR 454 HB1 TYR 454 19.118 2.402 -6.668
69 HD1 TYR 454 HD2 TYR 454 21.646 2.687 -6.138
70 HD2 TYR 454 HD1 TYR 454 19.984 2.975 -10.088
71 HE1 TYR 454 HE2 TYR 454 23.655 3.931 -6.893
72 HE2 TYR 454 HE1 TYR 454 21.992 4.219 -10.843
73 HH TYR 454 HH TYR 454 24.470 5.261 -8.567
74 H GLY 455 HN GLY 455 17.607 0.486 -8.664
75 HA2 GLY 455 HA2 GLY 455 15.708 -0.299 -6.894
76 HA3 GLY 455 HA1 GLY 455 15.690 -0.819 -8.576
77 H GLY 456 HN GLY 456 18.202 -2.322 -8.301
78 HA2 GLY 456 HA2 GLY 456 17.066 -4.718 -7.023
79 HA3 GLY 456 HA1 GLY 456 18.353 -4.702 -8.226
80 H LEU 457 HN LEU 457 20.198 -3.018 -7.284
81 HA LEU 457 HA LEU 457 21.376 -4.486 -5.126
82 HB2 LEU 457 HB2 LEU 457 22.843 -3.602 -6.802
83 HB3 LEU 457 HB1 LEU 457 22.195 -1.976 -6.602
84 HG LEU 457 HG LEU 457 23.178 -1.768 -4.410
85 HD11 LEU 457 HD11 LEU 457 24.618 -3.763 -3.594
86 HD12 LEU 457 HD12 LEU 457 23.673 -4.729 -4.727
87 HD13 LEU 457 HD13 LEU 457 22.869 -3.887 -3.403
88 HD21 LEU 457 HD21 LEU 457 24.662 -2.087 -6.737
89 HD22 LEU 457 HD22 LEU 457 25.507 -3.106 -5.570
90 HD23 LEU 457 HD23 LEU 457 25.252 -1.395 -5.227
91 H ARG 458 HN ARG 458 20.670 -0.994 -5.401
92 HA ARG 458 HA ARG 458 19.792 0.485 -3.861
93 HB2 ARG 458 HB2 ARG 458 18.422 -1.715 -3.253
94 HB3 ARG 458 HB1 ARG 458 19.413 -1.633 -1.796
95 HG2 ARG 458 HG2 ARG 458 17.608 -0.307 -1.168
96 HG3 ARG 458 HG1 ARG 458 18.702 0.911 -1.826
97 HD2 ARG 458 HD2 ARG 458 16.802 1.466 -3.003
98 HD3 ARG 458 HD1 ARG 458 17.461 0.254 -4.098
99 HE ARG 458 HE ARG 458 15.897 -1.207 -2.407
100 HH11 ARG 458 HH21 ARG 458 15.438 1.639 -4.321
101 HH12 ARG 458 HH22 ARG 458 13.754 1.347 -4.601
102 HH21 ARG 458 HH11 ARG 458 13.690 -1.598 -2.770
103 HH22 ARG 458 HH12 ARG 458 12.764 -0.486 -3.723
104 H GLY 459 HN GLY 459 22.513 0.171 -4.084
105 HA2 GLY 459 HA2 GLY 459 24.110 -0.461 -1.985
106 HA3 GLY 459 HA1 GLY 459 24.373 0.984 -2.958
107 H ALA 460 HN ALA 460 21.640 1.953 -2.002
108 HA ALA 460 HA ALA 460 22.456 3.734 -0.044
109 HB1 ALA 460 HB1 ALA 460 20.346 3.914 -1.351
110 HB2 ALA 460 HB2 ALA 460 20.098 4.148 0.380
111 HB3 ALA 460 HB3 ALA 460 19.664 2.614 -0.374
112 H ILE 461 HN ILE 461 21.525 0.405 0.264
113 HA ILE 461 HA ILE 461 21.291 0.601 3.174
114 HB ILE 461 HB ILE 461 20.851 -1.623 1.186
115 HG12 ILE 461 HG12 ILE 461 18.573 -1.540 2.114
116 HG13 ILE 461 HG11 ILE 461 19.073 -0.297 3.262
117 HG21 ILE 461 HG21 ILE 461 21.149 -1.721 4.182
118 HG22 ILE 461 HG22 ILE 461 21.842 -2.798 2.970
119 HG23 ILE 461 HG23 ILE 461 20.120 -2.879 3.338
120 HD11 ILE 461 HD11 ILE 461 19.482 0.127 0.312
121 HD12 ILE 461 HD12 ILE 461 19.321 1.329 1.593
122 HD13 ILE 461 HD13 ILE 461 17.906 0.435 1.039
123 H ALA 462 HN ALA 462 23.316 -0.969 0.717
124 HA ALA 462 HA ALA 462 25.058 -2.337 2.426
125 HB1 ALA 462 HB1 ALA 462 26.663 -2.237 0.529
126 HB2 ALA 462 HB2 ALA 462 25.595 -1.089 -0.278
127 HB3 ALA 462 HB3 ALA 462 25.047 -2.737 0.029
128 H PHE 463 HN PHE 463 25.102 1.013 1.292
129 HA PHE 463 HA PHE 463 27.656 1.679 2.342
130 HB2 PHE 463 HB2 PHE 463 27.169 3.460 1.069
131 HB3 PHE 463 HB1 PHE 463 25.454 3.049 1.048
132 HD1 PHE 463 HD2 PHE 463 23.919 3.929 2.742
133 HD2 PHE 463 HD1 PHE 463 28.084 4.977 2.747
134 HE1 PHE 463 HE2 PHE 463 23.451 5.781 4.325
135 HE2 PHE 463 HE1 PHE 463 27.618 6.828 4.329
136 HZ PHE 463 HZ PHE 463 25.301 7.230 5.119
137 H SER 464 HN SER 464 24.359 2.002 3.627
138 HA SER 464 HA SER 464 24.966 3.347 6.002
139 HB2 SER 464 HB2 SER 464 22.823 1.253 5.577
140 HB3 SER 464 HB1 SER 464 22.853 2.469 6.851
141 HG SER 464 HG SER 464 21.623 2.879 4.784
142 H LEU 465 HN LEU 465 24.875 -0.138 5.310
143 HA LEU 465 HA LEU 465 25.597 -0.917 7.970
144 HB2 LEU 465 HB2 LEU 465 25.517 -2.349 5.318
145 HB3 LEU 465 HB1 LEU 465 26.109 -3.135 6.782
146 HG LEU 465 HG LEU 465 23.556 -1.707 7.131
147 HD11 LEU 465 HD11 LEU 465 23.721 -4.172 5.371
148 HD12 LEU 465 HD12 LEU 465 23.233 -2.562 4.844
149 HD13 LEU 465 HD13 LEU 465 22.233 -3.455 5.988
150 HD21 LEU 465 HD21 LEU 465 23.020 -3.736 8.382
151 HD22 LEU 465 HD22 LEU 465 24.648 -3.207 8.810
152 HD23 LEU 465 HD23 LEU 465 24.423 -4.559 7.700
153 H GLY 466 HN GLY 466 27.361 -0.343 4.966
154 HA2 GLY 466 HA2 GLY 466 29.896 -1.160 6.146
155 HA3 GLY 466 HA1 GLY 466 29.645 -0.572 4.505
156 H TYR 467 HN TYR 467 28.020 1.499 6.477
157 HA TYR 467 HA TYR 467 30.057 3.546 6.206
158 HB2 TYR 467 HB2 TYR 467 28.068 4.582 5.823
159 HB3 TYR 467 HB1 TYR 467 27.165 3.446 6.825
160 HD1 TYR 467 HD1 TYR 467 29.662 6.227 7.063
161 HD2 TYR 467 HD2 TYR 467 26.479 4.072 8.980
162 HE1 TYR 467 HE1 TYR 467 29.681 7.860 8.931
163 HE2 TYR 467 HE2 TYR 467 26.497 5.704 10.847
164 HH TYR 467 HH TYR 467 27.717 7.369 11.819
165 H LEU 468 HN LEU 468 28.710 1.532 8.720
166 HA LEU 468 HA LEU 468 29.745 3.054 10.916
167 HB2 LEU 468 HB2 LEU 468 28.876 0.157 10.822
168 HB3 LEU 468 HB1 LEU 468 29.108 1.127 12.276
169 HG LEU 468 HG LEU 468 27.410 2.674 10.688
170 HD11 LEU 468 HD11 LEU 468 25.637 1.222 9.968
171 HD12 LEU 468 HD12 LEU 468 26.395 -0.179 10.726
172 HD13 LEU 468 HD13 LEU 468 27.131 0.559 9.304
173 HD21 LEU 468 HD21 LEU 468 26.753 0.743 12.937
174 HD22 LEU 468 HD22 LEU 468 25.733 2.084 12.417
175 HD23 LEU 468 HD23 LEU 468 27.312 2.404 13.136
176 H LEU 469 HN LEU 469 30.551 -0.321 10.152
177 HA LEU 469 HA LEU 469 32.962 -0.467 11.447
178 HB2 LEU 469 HB2 LEU 469 33.517 -2.333 10.012
179 HB3 LEU 469 HB1 LEU 469 31.783 -2.371 10.332
180 HG LEU 469 HG LEU 469 31.939 -0.776 8.084
181 HD11 LEU 469 HD11 LEU 469 34.402 -1.502 8.003
182 HD12 LEU 469 HD12 LEU 469 33.459 -1.757 6.534
183 HD13 LEU 469 HD13 LEU 469 33.799 -3.112 7.612
184 HD21 LEU 469 HD21 LEU 469 30.268 -2.463 8.308
185 HD22 LEU 469 HD22 LEU 469 31.473 -3.742 8.454
186 HD23 LEU 469 HD23 LEU 469 31.221 -2.941 6.904
187 H ASP 470 HN ASP 470 32.224 1.408 8.699
188 HA ASP 470 HA ASP 470 34.922 1.550 7.660
189 HB2 ASP 470 HB2 ASP 470 33.337 1.913 5.991
190 HB3 ASP 470 HB1 ASP 470 32.320 2.906 7.032
191 H LYS 471 HN LYS 471 32.742 3.718 9.458
192 HA LYS 471 HA LYS 471 34.944 5.585 9.928
193 HB2 LYS 471 HB2 LYS 471 31.977 5.663 10.436
194 HB3 LYS 471 HB1 LYS 471 33.063 6.853 11.153
195 HG2 LYS 471 HG2 LYS 471 33.276 6.288 8.216
196 HG3 LYS 471 HG1 LYS 471 31.955 7.305 8.790
197 HD2 LYS 471 HD2 LYS 471 34.677 7.911 9.849
198 HD3 LYS 471 HD1 LYS 471 34.368 8.312 8.159
199 HE2 LYS 471 HE2 LYS 471 33.823 10.109 9.952
200 HE3 LYS 471 HE1 LYS 471 32.620 9.796 8.701
201 HZ1 LYS 471 HZ1 LYS 471 31.471 8.316 10.215
202 HZ2 LYS 471 HZ2 LYS 471 31.625 9.861 10.903
203 HZ3 LYS 471 HZ3 LYS 471 32.635 8.595 11.416
204 H LYS 472 HN LYS 472 32.684 3.553 11.773
205 HA LYS 472 HA LYS 472 34.030 4.140 14.276
206 HB2 LYS 472 HB2 LYS 472 31.799 2.216 13.582
207 HB3 LYS 472 HB1 LYS 472 32.400 2.507 15.216
208 HG2 LYS 472 HG2 LYS 472 31.635 4.891 13.593
209 HG3 LYS 472 HG1 LYS 472 30.330 3.880 14.214
210 HD2 LYS 472 HD2 LYS 472 31.067 4.166 16.478
211 HD3 LYS 472 HD1 LYS 472 32.580 4.909 15.957
212 HE2 LYS 472 HE2 LYS 472 31.508 6.897 15.271
213 HE3 LYS 472 HE1 LYS 472 29.920 6.130 15.233
214 HZ1 LYS 472 HZ1 LYS 472 31.474 6.389 17.736
215 HZ2 LYS 472 HZ2 LYS 472 29.814 6.075 17.551
216 HZ3 LYS 472 HZ3 LYS 472 30.435 7.617 17.200
217 HN1 NH2 473 H1 NH2 473 34.447 1.837 11.734
218 HN2 NH2 473 H2 NH2 473 35.454 0.767 12.585
Start of MODEL 2
1 H1 ACE 446 HA2 ACE 446 18.613 2.268 -21.757
2 H2 ACE 446 HA3 ACE 446 18.351 0.524 -21.708
3 H3 ACE 446 HA1 ACE 446 19.769 1.224 -20.928
4 H LYS 447 HN LYS 447 17.753 -0.456 -19.697
5 HA LYS 447 HA LYS 447 16.896 1.390 -17.569
6 HB2 LYS 447 HB2 LYS 447 15.175 -0.554 -19.089
7 HB3 LYS 447 HB1 LYS 447 14.778 -0.095 -17.432
8 HG2 LYS 447 HG2 LYS 447 14.596 2.222 -18.024
9 HG3 LYS 447 HG1 LYS 447 15.296 1.935 -19.617
10 HD2 LYS 447 HD2 LYS 447 12.816 2.176 -19.699
11 HD3 LYS 447 HD1 LYS 447 13.357 0.596 -20.266
12 HE2 LYS 447 HE2 LYS 447 12.617 -0.498 -18.336
13 HE3 LYS 447 HE1 LYS 447 12.655 0.976 -17.369
14 HZ1 LYS 447 HZ1 LYS 447 10.584 1.475 -17.953
15 HZ2 LYS 447 HZ2 LYS 447 10.458 -0.105 -18.569
16 HZ3 LYS 447 HZ3 LYS 447 10.878 1.181 -19.598
17 H ASP 448 HN ASP 448 17.612 -1.893 -18.625
18 HA ASP 448 HA ASP 448 17.387 -3.179 -16.121
19 HB2 ASP 448 HB2 ASP 448 17.528 -4.698 -17.849
20 HB3 ASP 448 HB1 ASP 448 18.763 -3.777 -18.704
21 H GLN 449 HN GLN 449 20.222 -1.796 -17.786
22 HA GLN 449 HA GLN 449 22.146 -2.386 -15.854
23 HB2 GLN 449 HB2 GLN 449 21.955 -0.008 -17.718
24 HB3 GLN 449 HB1 GLN 449 23.396 -0.446 -16.801
25 HG2 GLN 449 HG2 GLN 449 23.961 -1.974 -18.348
26 HG3 GLN 449 HG1 GLN 449 22.402 -2.775 -18.161
27 HE21 GLN 449 HE21 GLN 449 21.537 -3.001 -20.233
28 HE22 GLN 449 HE22 GLN 449 21.492 -1.768 -21.400
29 H PHE 450 HN PHE 450 19.535 -0.170 -15.746
30 HA PHE 450 HA PHE 450 20.719 1.440 -13.615
31 HB2 PHE 450 HB2 PHE 450 17.967 1.559 -14.874
32 HB3 PHE 450 HB1 PHE 450 18.632 2.729 -13.733
33 HD1 PHE 450 HD2 PHE 450 19.187 1.192 -17.089
34 HD2 PHE 450 HD1 PHE 450 20.033 4.490 -14.468
35 HE1 PHE 450 HE2 PHE 450 20.281 2.398 -18.960
36 HE2 PHE 450 HE1 PHE 450 21.128 5.696 -16.340
37 HZ PHE 450 HZ PHE 450 21.252 4.650 -18.584
38 H ILE 451 HN ILE 451 17.958 -0.754 -14.093
39 HA ILE 451 HA ILE 451 16.878 -0.719 -11.544
40 HB ILE 451 HB ILE 451 17.095 -2.910 -13.601
41 HG12 ILE 451 HG12 ILE 451 14.568 -1.668 -12.575
42 HG13 ILE 451 HG11 ILE 451 15.587 -0.720 -13.658
43 HG21 ILE 451 HG21 ILE 451 16.013 -2.997 -10.800
44 HG22 ILE 451 HG22 ILE 451 16.899 -4.235 -11.690
45 HG23 ILE 451 HG23 ILE 451 15.206 -3.919 -12.067
46 HD11 ILE 451 HD11 ILE 451 13.742 -2.249 -14.696
47 HD12 ILE 451 HD12 ILE 451 14.874 -3.558 -14.355
48 HD13 ILE 451 HD13 ILE 451 15.348 -2.240 -15.427
49 H ILE 452 HN ILE 452 19.140 -3.220 -12.727
50 HA ILE 452 HA ILE 452 19.687 -4.425 -10.295
51 HB ILE 452 HB ILE 452 21.709 -5.282 -11.315
52 HG12 ILE 452 HG12 ILE 452 21.323 -2.939 -13.192
53 HG13 ILE 452 HG11 ILE 452 22.738 -3.324 -12.212
54 HG21 ILE 452 HG21 ILE 452 20.677 -6.429 -13.035
55 HG22 ILE 452 HG22 ILE 452 19.934 -4.974 -13.700
56 HG23 ILE 452 HG23 ILE 452 19.253 -5.732 -12.259
57 HD11 ILE 452 HD11 ILE 452 23.412 -4.084 -14.311
58 HD12 ILE 452 HD12 ILE 452 21.789 -4.616 -14.751
59 HD13 ILE 452 HD13 ILE 452 22.745 -5.555 -13.604
60 H ALA 453 HN ALA 453 21.055 -1.496 -11.690
61 HA ALA 453 HA ALA 453 23.141 -1.179 -9.767
62 HB1 ALA 453 HB1 ALA 453 21.797 0.975 -11.412
63 HB2 ALA 453 HB2 ALA 453 23.076 -0.076 -12.022
64 HB3 ALA 453 HB3 ALA 453 23.406 1.033 -10.690
65 H TYR 454 HN TYR 454 19.747 -0.510 -9.787
66 HA TYR 454 HA TYR 454 19.882 1.358 -7.559
67 HB2 TYR 454 HB2 TYR 454 17.849 0.450 -9.470
68 HB3 TYR 454 HB1 TYR 454 17.236 0.657 -7.829
69 HD1 TYR 454 HD1 TYR 454 19.902 2.467 -9.746
70 HD2 TYR 454 HD2 TYR 454 16.125 2.716 -7.715
71 HE1 TYR 454 HE1 TYR 454 19.896 4.926 -10.059
72 HE2 TYR 454 HE2 TYR 454 16.119 5.176 -8.028
73 HH TYR 454 HH TYR 454 18.490 6.777 -10.042
74 H GLY 455 HN GLY 455 19.206 -2.029 -8.149
75 HA2 GLY 455 HA2 GLY 455 19.623 -3.643 -6.399
76 HA3 GLY 455 HA1 GLY 455 19.052 -2.456 -5.229
77 H GLY 456 HN GLY 456 17.397 -2.945 -8.260
78 HA2 GLY 456 HA2 GLY 456 15.180 -3.477 -8.657
79 HA3 GLY 456 HA1 GLY 456 15.604 -4.947 -7.786
80 H LEU 457 HN LEU 457 14.630 -1.570 -7.227
81 HA LEU 457 HA LEU 457 12.967 -2.504 -4.971
82 HB2 LEU 457 HB2 LEU 457 13.530 -0.389 -3.785
83 HB3 LEU 457 HB1 LEU 457 14.925 -1.446 -4.003
84 HG LEU 457 HG LEU 457 14.772 0.168 -6.325
85 HD11 LEU 457 HD11 LEU 457 14.655 1.821 -3.786
86 HD12 LEU 457 HD12 LEU 457 13.313 1.657 -4.920
87 HD13 LEU 457 HD13 LEU 457 14.815 2.425 -5.435
88 HD21 LEU 457 HD21 LEU 457 16.804 -0.761 -5.235
89 HD22 LEU 457 HD22 LEU 457 16.589 0.374 -3.901
90 HD23 LEU 457 HD23 LEU 457 16.950 0.973 -5.520
91 H ARG 458 HN ARG 458 13.474 -0.274 -7.619
92 HA ARG 458 HA ARG 458 11.528 1.591 -7.383
93 HB2 ARG 458 HB2 ARG 458 11.318 1.620 -9.801
94 HB3 ARG 458 HB1 ARG 458 13.001 1.367 -9.360
95 HG2 ARG 458 HG2 ARG 458 11.075 -0.857 -10.122
96 HG3 ARG 458 HG1 ARG 458 12.236 -0.124 -11.217
97 HD2 ARG 458 HD2 ARG 458 13.482 -1.920 -10.498
98 HD3 ARG 458 HD1 ARG 458 13.944 -0.749 -9.271
99 HE ARG 458 HE ARG 458 12.822 -2.043 -7.707
100 HH11 ARG 458 HH21 ARG 458 11.819 -2.841 -10.922
101 HH12 ARG 458 HH22 ARG 458 10.858 -4.196 -10.434
102 HH21 ARG 458 HH11 ARG 458 11.563 -3.819 -7.058
103 HH22 ARG 458 HH12 ARG 458 10.712 -4.749 -8.247
104 H GLY 459 HN GLY 459 11.048 -1.808 -7.609
105 HA2 GLY 459 HA2 GLY 459 8.475 -2.024 -8.633
106 HA3 GLY 459 HA1 GLY 459 9.156 -3.100 -7.418
107 H ALA 460 HN ALA 460 9.540 -1.093 -5.397
108 HA ALA 460 HA ALA 460 6.858 -1.042 -4.321
109 HB1 ALA 460 HB1 ALA 460 9.379 -1.185 -3.211
110 HB2 ALA 460 HB2 ALA 460 7.887 -0.872 -2.323
111 HB3 ALA 460 HB3 ALA 460 8.891 0.474 -2.861
112 H ILE 461 HN ILE 461 8.723 1.026 -6.240
113 HA ILE 461 HA ILE 461 7.429 3.470 -5.292
114 HB ILE 461 HB ILE 461 9.571 2.886 -7.326
115 HG12 ILE 461 HG12 ILE 461 10.886 4.352 -5.861
116 HG13 ILE 461 HG11 ILE 461 9.463 4.658 -4.864
117 HG21 ILE 461 HG21 ILE 461 9.535 5.529 -7.418
118 HG22 ILE 461 HG22 ILE 461 7.837 5.309 -6.993
119 HG23 ILE 461 HG23 ILE 461 8.476 4.590 -8.471
120 HD11 ILE 461 HD11 ILE 461 11.157 2.830 -4.090
121 HD12 ILE 461 HD12 ILE 461 10.404 1.838 -5.339
122 HD13 ILE 461 HD13 ILE 461 9.432 2.471 -4.010
123 H ALA 462 HN ALA 462 7.646 1.535 -8.271
124 HA ALA 462 HA ALA 462 5.869 3.051 -9.826
125 HB1 ALA 462 HB1 ALA 462 6.821 0.213 -9.882
126 HB2 ALA 462 HB2 ALA 462 7.056 1.496 -11.068
127 HB3 ALA 462 HB3 ALA 462 5.492 0.694 -10.936
128 H PHE 463 HN PHE 463 5.297 0.489 -7.471
129 HA PHE 463 HA PHE 463 2.560 0.060 -8.047
130 HB2 PHE 463 HB2 PHE 463 3.036 -1.590 -6.603
131 HB3 PHE 463 HB1 PHE 463 4.468 -0.745 -6.014
132 HD1 PHE 463 HD1 PHE 463 4.252 0.979 -4.213
133 HD2 PHE 463 HD2 PHE 463 0.956 -1.499 -5.412
134 HE1 PHE 463 HE1 PHE 463 3.053 1.563 -2.122
135 HE2 PHE 463 HE2 PHE 463 -0.243 -0.916 -3.320
136 HZ PHE 463 HZ PHE 463 0.806 0.615 -1.675
137 H SER 464 HN SER 464 4.226 2.282 -5.850
138 HA SER 464 HA SER 464 1.865 3.331 -4.655
139 HB2 SER 464 HB2 SER 464 3.744 3.756 -3.369
140 HB3 SER 464 HB1 SER 464 4.743 4.137 -4.768
141 HG SER 464 HG SER 464 2.519 5.728 -4.071
142 H LEU 465 HN LEU 465 3.196 3.677 -7.736
143 HA LEU 465 HA LEU 465 2.171 6.373 -8.177
144 HB2 LEU 465 HB2 LEU 465 3.990 4.528 -9.564
145 HB3 LEU 465 HB1 LEU 465 2.915 5.410 -10.646
146 HG LEU 465 HG LEU 465 5.089 6.591 -10.177
147 HD11 LEU 465 HD11 LEU 465 3.388 8.560 -8.989
148 HD12 LEU 465 HD12 LEU 465 2.427 7.628 -10.136
149 HD13 LEU 465 HD13 LEU 465 3.902 8.433 -10.670
150 HD21 LEU 465 HD21 LEU 465 4.665 5.785 -7.593
151 HD22 LEU 465 HD22 LEU 465 4.141 7.467 -7.522
152 HD23 LEU 465 HD23 LEU 465 5.773 7.075 -8.061
153 H GLY 466 HN GLY 466 1.647 3.114 -9.538
154 HA2 GLY 466 HA2 GLY 466 -0.798 3.981 -10.849
155 HA3 GLY 466 HA1 GLY 466 -0.088 2.373 -10.918
156 H TYR 467 HN TYR 467 -0.071 3.224 -7.748
157 HA TYR 467 HA TYR 467 -2.090 1.376 -7.007
158 HB2 TYR 467 HB2 TYR 467 -0.609 1.557 -5.285
159 HB3 TYR 467 HB1 TYR 467 -0.271 3.257 -5.617
160 HD1 TYR 467 HD1 TYR 467 -2.946 0.987 -4.316
161 HD2 TYR 467 HD2 TYR 467 -1.264 4.940 -4.314
162 HE1 TYR 467 HE1 TYR 467 -4.515 1.654 -2.513
163 HE2 TYR 467 HE2 TYR 467 -2.832 5.607 -2.512
164 HH TYR 467 HH TYR 467 -4.198 3.934 -0.552
165 H LEU 468 HN LEU 468 -2.041 4.875 -7.379
166 HA LEU 468 HA LEU 468 -4.531 5.399 -6.127
167 HB2 LEU 468 HB2 LEU 468 -3.097 6.963 -8.286
168 HB3 LEU 468 HB1 LEU 468 -4.415 7.565 -7.281
169 HG LEU 468 HG LEU 468 -2.582 6.516 -5.452
170 HD11 LEU 468 HD11 LEU 468 -0.893 6.404 -7.244
171 HD12 LEU 468 HD12 LEU 468 -0.463 7.638 -6.058
172 HD13 LEU 468 HD13 LEU 468 -1.161 8.107 -7.609
173 HD21 LEU 468 HD21 LEU 468 -2.944 9.376 -6.402
174 HD22 LEU 468 HD22 LEU 468 -2.253 8.890 -4.854
175 HD23 LEU 468 HD23 LEU 468 -3.950 8.561 -5.206
176 H LEU 469 HN LEU 469 -3.905 5.855 -9.599
177 HA LEU 469 HA LEU 469 -6.514 5.762 -10.466
178 HB2 LEU 469 HB2 LEU 469 -5.654 5.198 -12.669
179 HB3 LEU 469 HB1 LEU 469 -4.562 6.346 -11.892
180 HG LEU 469 HG LEU 469 -3.561 3.916 -11.051
181 HD11 LEU 469 HD11 LEU 469 -4.170 3.611 -13.995
182 HD12 LEU 469 HD12 LEU 469 -5.197 2.898 -12.752
183 HD13 LEU 469 HD13 LEU 469 -3.509 2.407 -12.890
184 HD21 LEU 469 HD21 LEU 469 -2.864 5.715 -13.381
185 HD22 LEU 469 HD22 LEU 469 -1.845 4.355 -12.912
186 HD23 LEU 469 HD23 LEU 469 -2.126 5.678 -11.780
187 H ASP 470 HN ASP 470 -4.666 3.198 -9.177
188 HA ASP 470 HA ASP 470 -6.147 1.064 -10.456
189 HB2 ASP 470 HB2 ASP 470 -3.943 0.466 -9.867
190 HB3 ASP 470 HB1 ASP 470 -4.088 1.178 -8.261
191 H LYS 471 HN LYS 471 -6.033 2.585 -7.249
192 HA LYS 471 HA LYS 471 -8.397 1.048 -6.425
193 HB2 LYS 471 HB2 LYS 471 -6.585 2.912 -4.871
194 HB3 LYS 471 HB1 LYS 471 -7.945 2.019 -4.190
195 HG2 LYS 471 HG2 LYS 471 -6.382 0.146 -5.640
196 HG3 LYS 471 HG1 LYS 471 -5.264 1.100 -4.667
197 HD2 LYS 471 HD2 LYS 471 -6.639 0.666 -2.661
198 HD3 LYS 471 HD1 LYS 471 -7.745 -0.305 -3.634
199 HE2 LYS 471 HE2 LYS 471 -5.109 -1.253 -4.149
200 HE3 LYS 471 HE1 LYS 471 -5.289 -1.116 -2.399
201 HZ1 LYS 471 HZ1 LYS 471 -6.035 -3.271 -3.386
202 HZ2 LYS 471 HZ2 LYS 471 -7.300 -2.424 -4.140
203 HZ3 LYS 471 HZ3 LYS 471 -7.203 -2.478 -2.445
204 H LYS 472 HN LYS 472 -7.282 4.426 -6.637
205 HA LYS 472 HA LYS 472 -9.751 5.607 -5.926
206 HB2 LYS 472 HB2 LYS 472 -7.235 6.534 -7.231
207 HB3 LYS 472 HB1 LYS 472 -8.667 7.553 -7.386
208 HG2 LYS 472 HG2 LYS 472 -7.322 8.147 -5.383
209 HG3 LYS 472 HG1 LYS 472 -8.938 7.585 -4.949
210 HD2 LYS 472 HD2 LYS 472 -8.147 5.489 -4.217
211 HD3 LYS 472 HD1 LYS 472 -6.618 5.665 -5.082
212 HE2 LYS 472 HE2 LYS 472 -5.673 6.911 -3.421
213 HE3 LYS 472 HE1 LYS 472 -7.176 7.763 -3.071
214 HZ1 LYS 472 HZ1 LYS 472 -6.168 5.969 -1.439
215 HZ2 LYS 472 HZ2 LYS 472 -7.069 4.919 -2.426
216 HZ3 LYS 472 HZ3 LYS 472 -7.841 6.192 -1.606
217 HN1 NH2 473 H1 NH2 473 -11.467 6.412 -7.271
218 HN2 NH2 473 H2 NH2 473 -11.637 5.946 -8.894
Start of MODEL 3
1 H1 ACE 446 HA2 ACE 446 19.413 1.345 -21.625
2 H2 ACE 446 HA3 ACE 446 20.464 0.998 -20.252
3 H3 ACE 446 HA1 ACE 446 20.160 2.668 -20.729
4 H LYS 447 HN LYS 447 18.436 -0.268 -19.667
5 HA LYS 447 HA LYS 447 16.770 1.417 -17.923
6 HB2 LYS 447 HB2 LYS 447 15.639 0.789 -20.174
7 HB3 LYS 447 HB1 LYS 447 15.526 -0.830 -19.485
8 HG2 LYS 447 HG2 LYS 447 14.494 0.314 -17.418
9 HG3 LYS 447 HG1 LYS 447 14.296 1.727 -18.456
10 HD2 LYS 447 HD2 LYS 447 12.290 0.716 -18.921
11 HD3 LYS 447 HD1 LYS 447 13.278 -0.153 -20.096
12 HE2 LYS 447 HE2 LYS 447 12.137 -1.874 -18.949
13 HE3 LYS 447 HE1 LYS 447 13.721 -1.833 -18.173
14 HZ1 LYS 447 HZ1 LYS 447 11.312 -1.601 -16.918
15 HZ2 LYS 447 HZ2 LYS 447 11.877 -0.000 -16.985
16 HZ3 LYS 447 HZ3 LYS 447 12.823 -1.208 -16.256
17 H ASP 448 HN ASP 448 17.679 -1.892 -18.859
18 HA ASP 448 HA ASP 448 16.944 -2.959 -16.268
19 HB2 ASP 448 HB2 ASP 448 17.968 -5.065 -17.196
20 HB3 ASP 448 HB1 ASP 448 16.643 -4.408 -18.157
21 H GLN 449 HN GLN 449 19.626 -1.361 -17.566
22 HA GLN 449 HA GLN 449 21.578 -2.658 -15.825
23 HB2 GLN 449 HB2 GLN 449 21.777 -0.429 -17.856
24 HB3 GLN 449 HB1 GLN 449 23.132 -0.935 -16.846
25 HG2 GLN 449 HG2 GLN 449 22.856 -3.261 -17.708
26 HG3 GLN 449 HG1 GLN 449 21.591 -2.679 -18.789
27 HE21 GLN 449 HE21 GLN 449 24.968 -1.710 -17.916
28 HE22 GLN 449 HE22 GLN 449 25.440 -1.408 -19.519
29 H PHE 450 HN PHE 450 19.363 -0.084 -15.703
30 HA PHE 450 HA PHE 450 20.884 1.466 -13.751
31 HB2 PHE 450 HB2 PHE 450 19.655 3.115 -14.641
32 HB3 PHE 450 HB1 PHE 450 18.660 1.957 -15.522
33 HD1 PHE 450 HD2 PHE 450 19.097 3.650 -12.237
34 HD2 PHE 450 HD1 PHE 450 16.478 1.368 -14.762
35 HE1 PHE 450 HE2 PHE 450 17.219 4.075 -10.673
36 HE2 PHE 450 HE1 PHE 450 14.600 1.791 -13.200
37 HZ PHE 450 HZ PHE 450 14.971 3.145 -11.153
38 H ILE 451 HN ILE 451 18.350 -0.918 -13.879
39 HA ILE 451 HA ILE 451 17.310 -0.469 -11.253
40 HB ILE 451 HB ILE 451 17.126 -2.717 -13.245
41 HG12 ILE 451 HG12 ILE 451 14.904 -1.174 -11.909
42 HG13 ILE 451 HG11 ILE 451 15.779 -0.486 -13.277
43 HG21 ILE 451 HG21 ILE 451 15.399 -3.618 -11.502
44 HG22 ILE 451 HG22 ILE 451 16.348 -2.697 -10.336
45 HG23 ILE 451 HG23 ILE 451 17.108 -3.984 -11.270
46 HD11 ILE 451 HD11 ILE 451 13.763 -1.687 -14.039
47 HD12 ILE 451 HD12 ILE 451 14.348 -3.160 -13.267
48 HD13 ILE 451 HD13 ILE 451 15.227 -2.472 -14.633
49 H ILE 452 HN ILE 452 19.333 -3.117 -12.550
50 HA ILE 452 HA ILE 452 19.958 -4.355 -10.152
51 HB ILE 452 HB ILE 452 21.924 -5.258 -11.291
52 HG12 ILE 452 HG12 ILE 452 21.358 -2.993 -13.218
53 HG13 ILE 452 HG11 ILE 452 22.856 -3.328 -12.350
54 HG21 ILE 452 HG21 ILE 452 19.399 -5.749 -11.962
55 HG22 ILE 452 HG22 ILE 452 20.731 -6.448 -12.884
56 HG23 ILE 452 HG23 ILE 452 19.901 -5.012 -13.485
57 HD11 ILE 452 HD11 ILE 452 21.673 -4.802 -14.696
58 HD12 ILE 452 HD12 ILE 452 22.829 -5.593 -13.625
59 HD13 ILE 452 HD13 ILE 452 23.299 -4.144 -14.514
60 H ALA 453 HN ALA 453 20.809 -1.240 -11.166
61 HA ALA 453 HA ALA 453 23.239 -1.090 -9.554
62 HB1 ALA 453 HB1 ALA 453 22.000 1.362 -10.686
63 HB2 ALA 453 HB2 ALA 453 22.589 0.164 -11.838
64 HB3 ALA 453 HB3 ALA 453 23.691 0.863 -10.653
65 H TYR 454 HN TYR 454 19.856 -0.271 -9.375
66 HA TYR 454 HA TYR 454 20.258 0.606 -6.597
67 HB2 TYR 454 HB2 TYR 454 18.615 2.091 -8.661
68 HB3 TYR 454 HB1 TYR 454 18.633 2.448 -6.933
69 HD1 TYR 454 HD2 TYR 454 20.946 2.924 -5.852
70 HD2 TYR 454 HD1 TYR 454 20.210 3.070 -10.081
71 HE1 TYR 454 HE2 TYR 454 22.978 4.313 -6.158
72 HE2 TYR 454 HE1 TYR 454 22.241 4.458 -10.388
73 HH TYR 454 HH TYR 454 23.647 5.977 -9.047
74 H GLY 455 HN GLY 455 17.501 0.442 -8.852
75 HA2 GLY 455 HA2 GLY 455 15.525 -0.373 -7.182
76 HA3 GLY 455 HA1 GLY 455 15.641 -0.944 -8.845
77 H GLY 456 HN GLY 456 18.243 -2.278 -8.264
78 HA2 GLY 456 HA2 GLY 456 17.111 -4.720 -7.075
79 HA3 GLY 456 HA1 GLY 456 18.534 -4.639 -8.109
80 H LEU 457 HN LEU 457 19.968 -2.610 -6.873
81 HA LEU 457 HA LEU 457 20.942 -4.021 -4.521
82 HB2 LEU 457 HB2 LEU 457 22.630 -3.281 -6.055
83 HB3 LEU 457 HB1 LEU 457 21.970 -1.648 -6.088
84 HG LEU 457 HG LEU 457 22.643 -1.242 -3.810
85 HD11 LEU 457 HD11 LEU 457 23.941 -3.146 -2.627
86 HD12 LEU 457 HD12 LEU 457 23.163 -4.216 -3.793
87 HD13 LEU 457 HD13 LEU 457 22.183 -3.268 -2.675
88 HD21 LEU 457 HD21 LEU 457 24.414 -1.634 -5.854
89 HD22 LEU 457 HD22 LEU 457 25.073 -2.714 -4.625
90 HD23 LEU 457 HD23 LEU 457 24.860 -1.001 -4.271
91 H ARG 458 HN ARG 458 20.428 -0.548 -5.160
92 HA ARG 458 HA ARG 458 19.466 1.105 -3.882
93 HB2 ARG 458 HB2 ARG 458 17.704 -0.831 -3.612
94 HB3 ARG 458 HB1 ARG 458 18.351 -0.914 -1.973
95 HG2 ARG 458 HG2 ARG 458 16.714 0.681 -1.642
96 HG3 ARG 458 HG1 ARG 458 18.050 1.734 -2.115
97 HD2 ARG 458 HD2 ARG 458 17.238 1.495 -4.511
98 HD3 ARG 458 HD1 ARG 458 15.796 0.721 -3.860
99 HE ARG 458 HE ARG 458 15.049 2.814 -3.201
100 HH11 ARG 458 HH21 ARG 458 18.455 2.855 -3.809
101 HH12 ARG 458 HH22 ARG 458 18.608 4.570 -3.618
102 HH21 ARG 458 HH11 ARG 458 15.242 5.064 -2.948
103 HH22 ARG 458 HH12 ARG 458 16.789 5.820 -3.130
104 H GLY 459 HN GLY 459 22.082 0.615 -3.424
105 HA2 GLY 459 HA2 GLY 459 23.016 -0.124 -0.953
106 HA3 GLY 459 HA1 GLY 459 23.713 1.190 -1.893
107 H ALA 460 HN ALA 460 20.830 2.395 -1.630
108 HA ALA 460 HA ALA 460 21.419 4.295 0.338
109 HB1 ALA 460 HB1 ALA 460 18.613 4.110 0.196
110 HB2 ALA 460 HB2 ALA 460 19.208 3.667 -1.404
111 HB3 ALA 460 HB3 ALA 460 19.657 5.218 -0.694
112 H ILE 461 HN ILE 461 20.371 1.066 0.651
113 HA ILE 461 HA ILE 461 19.225 1.473 3.313
114 HB ILE 461 HB ILE 461 19.438 -0.865 1.437
115 HG12 ILE 461 HG12 ILE 461 17.027 -0.866 1.672
116 HG13 ILE 461 HG11 ILE 461 17.110 0.305 2.989
117 HG21 ILE 461 HG21 ILE 461 18.247 -2.094 3.406
118 HG22 ILE 461 HG22 ILE 461 19.024 -0.877 4.419
119 HG23 ILE 461 HG23 ILE 461 20.006 -1.960 3.435
120 HD11 ILE 461 HD11 ILE 461 16.521 1.218 0.653
121 HD12 ILE 461 HD12 ILE 461 18.213 0.928 0.248
122 HD13 ILE 461 HD13 ILE 461 17.796 2.054 1.541
123 H ALA 462 HN ALA 462 21.832 -0.463 1.832
124 HA ALA 462 HA ALA 462 22.987 -1.450 4.155
125 HB1 ALA 462 HB1 ALA 462 23.701 -1.236 1.383
126 HB2 ALA 462 HB2 ALA 462 24.273 -2.392 2.585
127 HB3 ALA 462 HB3 ALA 462 25.105 -0.851 2.379
128 H PHE 463 HN PHE 463 23.432 1.690 2.590
129 HA PHE 463 HA PHE 463 25.592 2.555 4.225
130 HB2 PHE 463 HB2 PHE 463 25.559 4.180 2.687
131 HB3 PHE 463 HB1 PHE 463 23.989 3.630 2.103
132 HD1 PHE 463 HD2 PHE 463 25.608 5.678 4.777
133 HD2 PHE 463 HD1 PHE 463 22.038 4.884 2.524
134 HE1 PHE 463 HE2 PHE 463 24.531 7.674 5.780
135 HE2 PHE 463 HE1 PHE 463 20.961 6.880 3.528
136 HZ PHE 463 HZ PHE 463 22.208 8.275 5.156
137 H SER 464 HN SER 464 22.075 2.863 4.474
138 HA SER 464 HA SER 464 22.089 4.563 6.756
139 HB2 SER 464 HB2 SER 464 19.711 3.954 6.944
140 HB3 SER 464 HB1 SER 464 20.134 4.372 5.286
141 HG SER 464 HG SER 464 20.305 2.147 4.847
142 H LEU 465 HN LEU 465 22.834 1.287 6.340
143 HA LEU 465 HA LEU 465 22.006 0.441 8.995
144 HB2 LEU 465 HB2 LEU 465 23.005 -0.836 6.552
145 HB3 LEU 465 HB1 LEU 465 23.707 -1.510 8.020
146 HG LEU 465 HG LEU 465 21.583 -2.644 7.308
147 HD11 LEU 465 HD11 LEU 465 21.399 -3.140 9.492
148 HD12 LEU 465 HD12 LEU 465 20.575 -1.606 9.779
149 HD13 LEU 465 HD13 LEU 465 22.331 -1.698 9.895
150 HD21 LEU 465 HD21 LEU 465 19.660 -1.492 6.939
151 HD22 LEU 465 HD22 LEU 465 20.710 -0.083 6.808
152 HD23 LEU 465 HD23 LEU 465 19.912 -0.447 8.338
153 H GLY 466 HN GLY 466 25.076 0.938 7.258
154 HA2 GLY 466 HA2 GLY 466 26.664 0.542 9.634
155 HA3 GLY 466 HA1 GLY 466 27.249 1.072 8.058
156 H TYR 467 HN TYR 467 24.678 2.999 8.764
157 HA TYR 467 HA TYR 467 26.427 5.193 9.584
158 HB2 TYR 467 HB2 TYR 467 25.055 5.862 7.812
159 HB3 TYR 467 HB1 TYR 467 23.649 5.012 8.454
160 HD1 TYR 467 HD2 TYR 467 25.885 7.936 8.952
161 HD2 TYR 467 HD1 TYR 467 22.198 6.033 10.056
162 HE1 TYR 467 HE2 TYR 467 25.174 9.997 10.136
163 HE2 TYR 467 HE1 TYR 467 21.489 8.088 11.244
164 HH TYR 467 HH TYR 467 22.083 10.125 11.906
165 H LEU 468 HN LEU 468 23.492 3.513 10.671
166 HA LEU 468 HA LEU 468 22.987 5.085 12.950
167 HB2 LEU 468 HB2 LEU 468 22.425 2.131 12.586
168 HB3 LEU 468 HB1 LEU 468 21.645 3.211 13.739
169 HG LEU 468 HG LEU 468 21.574 3.931 10.831
170 HD11 LEU 468 HD11 LEU 468 20.858 1.677 10.663
171 HD12 LEU 468 HD12 LEU 468 19.372 2.621 10.766
172 HD13 LEU 468 HD13 LEU 468 19.971 1.762 12.185
173 HD21 LEU 468 HD21 LEU 468 19.609 4.204 13.128
174 HD22 LEU 468 HD22 LEU 468 19.413 4.894 11.517
175 HD23 LEU 468 HD23 LEU 468 20.705 5.470 12.571
176 H LEU 469 HN LEU 469 24.681 1.948 12.693
177 HA LEU 469 HA LEU 469 25.501 1.835 15.385
178 HB2 LEU 469 HB2 LEU 469 27.214 0.200 14.536
179 HB3 LEU 469 HB1 LEU 469 25.561 -0.160 14.053
180 HG LEU 469 HG LEU 469 26.029 1.079 11.881
181 HD11 LEU 469 HD11 LEU 469 28.713 1.242 13.173
182 HD12 LEU 469 HD12 LEU 469 27.931 2.347 12.046
183 HD13 LEU 469 HD13 LEU 469 28.672 0.865 11.453
184 HD21 LEU 469 HD21 LEU 469 27.704 -0.893 11.174
185 HD22 LEU 469 HD22 LEU 469 25.997 -1.184 11.509
186 HD23 LEU 469 HD23 LEU 469 27.208 -1.512 12.748
187 H ASP 470 HN ASP 470 26.341 4.043 13.075
188 HA ASP 470 HA ASP 470 29.077 4.418 14.080
189 HB2 ASP 470 HB2 ASP 470 27.749 4.902 11.557
190 HB3 ASP 470 HB1 ASP 470 28.511 6.376 12.153
191 H LYS 471 HN LYS 471 25.926 5.969 13.867
192 HA LYS 471 HA LYS 471 26.904 8.152 15.610
193 HB2 LYS 471 HB2 LYS 471 24.443 8.111 13.847
194 HB3 LYS 471 HB1 LYS 471 25.055 9.487 14.766
195 HG2 LYS 471 HG2 LYS 471 26.537 8.074 12.528
196 HG3 LYS 471 HG1 LYS 471 25.720 9.630 12.387
197 HD2 LYS 471 HD2 LYS 471 27.242 10.261 14.458
198 HD3 LYS 471 HD1 LYS 471 28.244 8.943 13.851
199 HE2 LYS 471 HE2 LYS 471 27.377 11.420 12.338
200 HE3 LYS 471 HE1 LYS 471 29.018 10.985 12.816
201 HZ1 LYS 471 HZ1 LYS 471 28.161 10.480 10.426
202 HZ2 LYS 471 HZ2 LYS 471 27.477 9.112 11.165
203 HZ3 LYS 471 HZ3 LYS 471 29.154 9.367 11.229
204 H LYS 472 HN LYS 472 23.914 6.311 14.949
205 HA LYS 472 HA LYS 472 23.072 6.693 17.724
206 HB2 LYS 472 HB2 LYS 472 21.762 5.910 15.180
207 HB3 LYS 472 HB1 LYS 472 21.110 5.188 16.651
208 HG2 LYS 472 HG2 LYS 472 21.665 8.145 16.537
209 HG3 LYS 472 HG1 LYS 472 20.171 7.496 15.858
210 HD2 LYS 472 HD2 LYS 472 20.893 6.517 18.567
211 HD3 LYS 472 HD1 LYS 472 20.421 8.213 18.459
212 HE2 LYS 472 HE2 LYS 472 18.463 6.751 18.873
213 HE3 LYS 472 HE1 LYS 472 18.337 7.583 17.322
214 HZ1 LYS 472 HZ1 LYS 472 17.818 5.145 17.291
215 HZ2 LYS 472 HZ2 LYS 472 19.463 4.856 17.600
216 HZ3 LYS 472 HZ3 LYS 472 18.990 5.648 16.174
217 HN1 NH2 473 H1 NH2 473 24.654 5.261 18.778
218 HN2 NH2 473 H2 NH2 473 24.502 3.576 18.653
Start of MODEL 4
1 H1 ACE 446 HA2 ACE 446 20.410 2.215 -20.844
2 H2 ACE 446 HA3 ACE 446 20.006 0.525 -21.149
3 H3 ACE 446 HA1 ACE 446 21.130 0.944 -19.855
4 H LYS 447 HN LYS 447 18.201 -0.248 -20.228
5 HA LYS 447 HA LYS 447 16.857 1.409 -18.200
6 HB2 LYS 447 HB2 LYS 447 15.788 0.554 -20.449
7 HB3 LYS 447 HB1 LYS 447 15.565 -0.940 -19.537
8 HG2 LYS 447 HG2 LYS 447 14.569 0.586 -17.689
9 HG3 LYS 447 HG1 LYS 447 14.434 1.795 -18.966
10 HD2 LYS 447 HD2 LYS 447 12.377 0.754 -19.186
11 HD3 LYS 447 HD1 LYS 447 13.336 -0.230 -20.292
12 HE2 LYS 447 HE2 LYS 447 12.364 -1.896 -19.009
13 HE3 LYS 447 HE1 LYS 447 13.842 -1.617 -18.088
14 HZ1 LYS 447 HZ1 LYS 447 12.099 -1.568 -16.539
15 HZ2 LYS 447 HZ2 LYS 447 11.122 -0.592 -17.528
16 HZ3 LYS 447 HZ3 LYS 447 12.507 0.060 -16.792
17 H ASP 448 HN ASP 448 17.479 -2.037 -18.907
18 HA ASP 448 HA ASP 448 16.800 -2.862 -16.238
19 HB2 ASP 448 HB2 ASP 448 18.269 -4.373 -18.410
20 HB3 ASP 448 HB1 ASP 448 17.545 -5.071 -16.962
21 H GLN 449 HN GLN 449 19.536 -1.458 -17.644
22 HA GLN 449 HA GLN 449 21.465 -2.706 -15.854
23 HB2 GLN 449 HB2 GLN 449 21.570 -0.830 -18.158
24 HB3 GLN 449 HB1 GLN 449 22.857 -0.697 -16.960
25 HG2 GLN 449 HG2 GLN 449 23.472 -2.999 -17.238
26 HG3 GLN 449 HG1 GLN 449 22.035 -3.329 -18.205
27 HE21 GLN 449 HE21 GLN 449 24.933 -1.174 -18.264
28 HE22 GLN 449 HE22 GLN 449 25.118 -1.239 -19.950
29 H PHE 450 HN PHE 450 19.273 -0.122 -15.764
30 HA PHE 450 HA PHE 450 20.832 1.471 -13.877
31 HB2 PHE 450 HB2 PHE 450 19.603 3.104 -14.795
32 HB3 PHE 450 HB1 PHE 450 18.583 1.930 -15.626
33 HD1 PHE 450 HD1 PHE 450 19.092 3.699 -12.390
34 HD2 PHE 450 HD2 PHE 450 16.408 1.390 -14.823
35 HE1 PHE 450 HE1 PHE 450 17.243 4.179 -10.807
36 HE2 PHE 450 HE2 PHE 450 14.560 1.870 -13.239
37 HZ PHE 450 HZ PHE 450 14.978 3.266 -11.233
38 H ILE 451 HN ILE 451 18.449 -1.016 -13.876
39 HA ILE 451 HA ILE 451 17.379 -0.461 -11.261
40 HB ILE 451 HB ILE 451 17.197 -2.780 -13.171
41 HG12 ILE 451 HG12 ILE 451 15.012 -1.121 -11.900
42 HG13 ILE 451 HG11 ILE 451 15.842 -0.599 -13.366
43 HG21 ILE 451 HG21 ILE 451 17.159 -3.988 -11.174
44 HG22 ILE 451 HG22 ILE 451 15.455 -3.576 -11.367
45 HG23 ILE 451 HG23 ILE 451 16.467 -2.647 -10.260
46 HD11 ILE 451 HD11 ILE 451 14.799 -2.154 -14.658
47 HD12 ILE 451 HD12 ILE 451 13.627 -2.209 -13.342
48 HD13 ILE 451 HD13 ILE 451 14.924 -3.402 -13.418
49 H ILE 452 HN ILE 452 19.413 -3.123 -12.511
50 HA ILE 452 HA ILE 452 20.079 -4.330 -10.127
51 HB ILE 452 HB ILE 452 22.312 -4.850 -11.325
52 HG12 ILE 452 HG12 ILE 452 21.006 -3.984 -13.838
53 HG13 ILE 452 HG11 ILE 452 21.640 -2.679 -12.834
54 HG21 ILE 452 HG21 ILE 452 20.766 -6.024 -13.224
55 HG22 ILE 452 HG22 ILE 452 19.529 -5.582 -12.047
56 HG23 ILE 452 HG23 ILE 452 20.876 -6.615 -11.565
57 HD11 ILE 452 HD11 ILE 452 23.250 -5.128 -13.597
58 HD12 ILE 452 HD12 ILE 452 23.843 -3.657 -12.824
59 HD13 ILE 452 HD13 ILE 452 23.297 -3.613 -14.499
60 H ALA 453 HN ALA 453 20.883 -1.185 -11.151
61 HA ALA 453 HA ALA 453 23.295 -0.931 -9.566
62 HB1 ALA 453 HB1 ALA 453 23.593 0.973 -10.727
63 HB2 ALA 453 HB2 ALA 453 21.984 1.565 -10.316
64 HB3 ALA 453 HB3 ALA 453 22.200 0.479 -11.691
65 H TYR 454 HN TYR 454 19.874 -0.167 -9.253
66 HA TYR 454 HA TYR 454 20.307 0.345 -6.391
67 HB2 TYR 454 HB2 TYR 454 18.542 2.109 -8.100
68 HB3 TYR 454 HB1 TYR 454 18.957 2.330 -6.401
69 HD1 TYR 454 HD2 TYR 454 21.572 2.389 -5.899
70 HD2 TYR 454 HD1 TYR 454 19.774 3.295 -9.695
71 HE1 TYR 454 HE2 TYR 454 23.591 3.674 -6.550
72 HE2 TYR 454 HE1 TYR 454 21.792 4.579 -10.345
73 HH TYR 454 HH TYR 454 24.122 4.750 -9.780
74 H GLY 455 HN GLY 455 17.613 0.447 -8.737
75 HA2 GLY 455 HA2 GLY 455 15.542 -0.409 -7.206
76 HA3 GLY 455 HA1 GLY 455 15.723 -0.891 -8.890
77 H GLY 456 HN GLY 456 18.331 -2.252 -8.080
78 HA2 GLY 456 HA2 GLY 456 17.073 -4.761 -7.180
79 HA3 GLY 456 HA1 GLY 456 18.579 -4.638 -8.084
80 H LEU 457 HN LEU 457 20.165 -3.011 -6.777
81 HA LEU 457 HA LEU 457 21.131 -4.444 -4.599
82 HB2 LEU 457 HB2 LEU 457 22.580 -2.906 -5.734
83 HB3 LEU 457 HB1 LEU 457 21.512 -1.548 -5.388
84 HG LEU 457 HG LEU 457 22.027 -1.638 -3.035
85 HD11 LEU 457 HD11 LEU 457 23.319 -4.266 -3.769
86 HD12 LEU 457 HD12 LEU 457 22.112 -3.946 -2.523
87 HD13 LEU 457 HD13 LEU 457 23.774 -3.404 -2.298
88 HD21 LEU 457 HD21 LEU 457 24.551 -2.047 -4.669
89 HD22 LEU 457 HD22 LEU 457 24.480 -1.301 -3.072
90 HD23 LEU 457 HD23 LEU 457 23.703 -0.516 -4.446
91 H ARG 458 HN ARG 458 19.942 -1.118 -4.210
92 HA ARG 458 HA ARG 458 18.536 -0.176 -2.645
93 HB2 ARG 458 HB2 ARG 458 17.281 -2.470 -3.110
94 HB3 ARG 458 HB1 ARG 458 17.825 -2.828 -1.470
95 HG2 ARG 458 HG2 ARG 458 15.809 -1.779 -1.009
96 HG3 ARG 458 HG1 ARG 458 16.894 -0.389 -0.988
97 HD2 ARG 458 HD2 ARG 458 16.369 -0.255 -3.543
98 HD3 ARG 458 HD1 ARG 458 14.976 -1.254 -3.138
99 HE ARG 458 HE ARG 458 14.038 0.572 -2.015
100 HH11 ARG 458 HH21 ARG 458 17.329 1.149 -2.914
101 HH12 ARG 458 HH22 ARG 458 17.276 2.842 -2.552
102 HH21 ARG 458 HH11 ARG 458 13.960 2.792 -1.540
103 HH22 ARG 458 HH12 ARG 458 15.369 3.771 -1.774
104 H GLY 459 HN GLY 459 20.541 -2.888 -1.598
105 HA2 GLY 459 HA2 GLY 459 20.738 -2.474 1.114
106 HA3 GLY 459 HA1 GLY 459 22.081 -3.028 0.118
107 H ALA 460 HN ALA 460 22.790 -0.945 -1.382
108 HA ALA 460 HA ALA 460 24.299 0.690 0.287
109 HB1 ALA 460 HB1 ALA 460 24.283 2.239 -1.831
110 HB2 ALA 460 HB2 ALA 460 23.442 0.882 -2.576
111 HB3 ALA 460 HB3 ALA 460 25.057 0.656 -1.908
112 H ILE 461 HN ILE 461 21.636 1.923 -1.730
113 HA ILE 461 HA ILE 461 21.280 4.347 -0.469
114 HB ILE 461 HB ILE 461 19.405 2.522 -1.940
115 HG12 ILE 461 HG12 ILE 461 19.438 4.405 -3.538
116 HG13 ILE 461 HG11 ILE 461 20.449 5.332 -2.428
117 HG21 ILE 461 HG21 ILE 461 17.849 3.475 -0.453
118 HG22 ILE 461 HG22 ILE 461 17.817 4.579 -1.828
119 HG23 ILE 461 HG23 ILE 461 18.723 5.005 -0.376
120 HD11 ILE 461 HD11 ILE 461 22.275 3.810 -2.667
121 HD12 ILE 461 HD12 ILE 461 21.684 4.109 -4.302
122 HD13 ILE 461 HD13 ILE 461 21.262 2.612 -3.471
123 H ALA 462 HN ALA 462 20.083 1.178 0.487
124 HA ALA 462 HA ALA 462 18.321 2.081 2.530
125 HB1 ALA 462 HB1 ALA 462 18.126 -0.161 1.596
126 HB2 ALA 462 HB2 ALA 462 18.433 -0.264 3.328
127 HB3 ALA 462 HB3 ALA 462 19.738 -0.571 2.183
128 H PHE 463 HN PHE 463 21.758 1.549 2.366
129 HA PHE 463 HA PHE 463 22.072 1.665 5.267
130 HB2 PHE 463 HB2 PHE 463 23.842 0.395 4.731
131 HB3 PHE 463 HB1 PHE 463 23.671 0.778 3.017
132 HD1 PHE 463 HD1 PHE 463 25.233 1.791 6.204
133 HD2 PHE 463 HD2 PHE 463 24.891 2.620 2.003
134 HE1 PHE 463 HE1 PHE 463 27.201 3.293 6.341
135 HE2 PHE 463 HE2 PHE 463 26.860 4.124 2.140
136 HZ PHE 463 HZ PHE 463 28.015 4.459 4.309
137 H SER 464 HN SER 464 22.904 3.594 2.401
138 HA SER 464 HA SER 464 24.241 5.684 3.712
139 HB2 SER 464 HB2 SER 464 23.613 5.111 1.107
140 HB3 SER 464 HB1 SER 464 22.576 6.498 1.427
141 HG SER 464 HG SER 464 24.568 7.255 0.776
142 H LEU 465 HN LEU 465 20.971 4.773 3.832
143 HA LEU 465 HA LEU 465 19.992 7.447 4.487
144 HB2 LEU 465 HB2 LEU 465 18.818 4.930 3.646
145 HB3 LEU 465 HB1 LEU 465 17.985 5.589 5.054
146 HG LEU 465 HG LEU 465 17.731 7.753 3.904
147 HD11 LEU 465 HD11 LEU 465 18.286 7.129 1.228
148 HD12 LEU 465 HD12 LEU 465 19.680 6.527 2.126
149 HD13 LEU 465 HD13 LEU 465 19.206 8.220 2.262
150 HD21 LEU 465 HD21 LEU 465 16.503 5.268 3.158
151 HD22 LEU 465 HD22 LEU 465 16.631 6.284 1.723
152 HD23 LEU 465 HD23 LEU 465 15.793 6.882 3.155
153 H GLY 466 HN GLY 466 20.427 4.289 6.060
154 HA2 GLY 466 HA2 GLY 466 19.646 5.347 8.652
155 HA3 GLY 466 HA1 GLY 466 20.169 3.701 8.305
156 H TYR 467 HN TYR 467 22.353 5.682 6.847
157 HA TYR 467 HA TYR 467 24.297 5.276 8.991
158 HB2 TYR 467 HB2 TYR 467 25.307 4.650 7.021
159 HB3 TYR 467 HB1 TYR 467 24.425 5.840 6.064
160 HD1 TYR 467 HD2 TYR 467 27.117 5.475 8.621
161 HD2 TYR 467 HD1 TYR 467 25.366 7.960 5.586
162 HE1 TYR 467 HE2 TYR 467 29.041 7.034 8.787
163 HE2 TYR 467 HE1 TYR 467 27.287 9.518 5.752
164 HH TYR 467 HH TYR 467 29.155 10.022 6.849
165 H LEU 468 HN LEU 468 22.718 7.885 7.227
166 HA LEU 468 HA LEU 468 24.304 10.011 8.205
167 HB2 LEU 468 HB2 LEU 468 21.406 10.055 7.329
168 HB3 LEU 468 HB1 LEU 468 22.466 11.456 7.478
169 HG LEU 468 HG LEU 468 23.373 9.171 5.768
170 HD11 LEU 468 HD11 LEU 468 22.178 10.267 3.837
171 HD12 LEU 468 HD12 LEU 468 21.262 11.206 5.017
172 HD13 LEU 468 HD13 LEU 468 21.114 9.449 4.982
173 HD21 LEU 468 HD21 LEU 468 24.828 11.127 6.209
174 HD22 LEU 468 HD22 LEU 468 23.584 12.192 5.551
175 HD23 LEU 468 HD23 LEU 468 24.392 11.025 4.504
176 H LEU 469 HN LEU 469 20.887 9.531 9.064
177 HA LEU 469 HA LEU 469 20.805 11.026 11.347
178 HB2 LEU 469 HB2 LEU 469 18.892 9.728 12.040
179 HB3 LEU 469 HB1 LEU 469 18.858 9.865 10.282
180 HG LEU 469 HG LEU 469 20.370 7.587 10.666
181 HD11 LEU 469 HD11 LEU 469 19.660 7.798 13.132
182 HD12 LEU 469 HD12 LEU 469 19.360 6.246 12.350
183 HD13 LEU 469 HD13 LEU 469 18.036 7.388 12.578
184 HD21 LEU 469 HD21 LEU 469 17.415 8.022 10.181
185 HD22 LEU 469 HD22 LEU 469 18.149 6.419 10.101
186 HD23 LEU 469 HD23 LEU 469 18.675 7.688 8.992
187 H ASP 470 HN ASP 470 22.518 8.103 10.871
188 HA ASP 470 HA ASP 470 22.678 7.367 13.665
189 HB2 ASP 470 HB2 ASP 470 23.502 6.246 11.108
190 HB3 ASP 470 HB1 ASP 470 24.767 6.106 12.327
191 H LYS 471 HN LYS 471 24.764 8.953 11.279
192 HA LYS 471 HA LYS 471 26.687 9.596 13.422
193 HB2 LYS 471 HB2 LYS 471 26.956 9.683 10.408
194 HB3 LYS 471 HB1 LYS 471 28.210 10.194 11.539
195 HG2 LYS 471 HG2 LYS 471 27.275 7.604 12.335
196 HG3 LYS 471 HG1 LYS 471 27.664 7.555 10.616
197 HD2 LYS 471 HD2 LYS 471 29.888 8.448 11.044
198 HD3 LYS 471 HD1 LYS 471 29.509 8.661 12.754
199 HE2 LYS 471 HE2 LYS 471 29.485 5.988 11.322
200 HE3 LYS 471 HE1 LYS 471 30.830 6.583 12.295
201 HZ1 LYS 471 HZ1 LYS 471 29.340 5.129 13.553
202 HZ2 LYS 471 HZ2 LYS 471 28.053 6.203 13.278
203 HZ3 LYS 471 HZ3 LYS 471 29.390 6.694 14.204
204 H LYS 472 HN LYS 472 25.023 11.089 10.643
205 HA LYS 472 HA LYS 472 25.689 13.760 11.523
206 HB2 LYS 472 HB2 LYS 472 23.814 12.773 9.359
207 HB3 LYS 472 HB1 LYS 472 24.256 14.461 9.624
208 HG2 LYS 472 HG2 LYS 472 26.575 12.668 9.471
209 HG3 LYS 472 HG1 LYS 472 25.620 12.704 7.987
210 HD2 LYS 472 HD2 LYS 472 25.748 15.162 7.950
211 HD3 LYS 472 HD1 LYS 472 26.684 15.142 9.445
212 HE2 LYS 472 HE2 LYS 472 28.353 15.288 7.804
213 HE3 LYS 472 HE1 LYS 472 28.288 13.556 8.133
214 HZ1 LYS 472 HZ1 LYS 472 26.899 14.966 5.917
215 HZ2 LYS 472 HZ2 LYS 472 26.793 13.301 6.244
216 HZ3 LYS 472 HZ3 LYS 472 28.274 13.984 5.765
217 HN1 NH2 473 H1 NH2 473 22.433 12.319 10.914
218 HN2 NH2 473 H2 NH2 473 21.694 13.095 12.230
Start of MODEL 5
1 H1 ACE 446 HA2 ACE 446 19.361 2.798 -21.231
2 H2 ACE 446 HA3 ACE 446 19.152 1.062 -21.472
3 H3 ACE 446 HA1 ACE 446 20.355 1.654 -20.327
4 H LYS 447 HN LYS 447 18.359 -0.199 -19.617
5 HA LYS 447 HA LYS 447 16.962 1.343 -17.549
6 HB2 LYS 447 HB2 LYS 447 15.674 0.087 -19.826
7 HB3 LYS 447 HB1 LYS 447 15.103 -0.602 -18.305
8 HG2 LYS 447 HG2 LYS 447 14.504 1.576 -17.458
9 HG3 LYS 447 HG1 LYS 447 15.279 2.376 -18.825
10 HD2 LYS 447 HD2 LYS 447 12.829 2.282 -19.128
11 HD3 LYS 447 HD1 LYS 447 13.657 1.334 -20.364
12 HE2 LYS 447 HE2 LYS 447 13.018 -0.701 -19.425
13 HE3 LYS 447 HE1 LYS 447 12.802 -0.008 -17.818
14 HZ1 LYS 447 HZ1 LYS 447 10.835 1.108 -18.549
15 HZ2 LYS 447 HZ2 LYS 447 10.694 -0.536 -18.955
16 HZ3 LYS 447 HZ3 LYS 447 11.075 0.609 -20.151
17 H ASP 448 HN ASP 448 17.452 -1.937 -18.868
18 HA ASP 448 HA ASP 448 17.060 -3.323 -16.452
19 HB2 ASP 448 HB2 ASP 448 17.572 -4.026 -19.067
20 HB3 ASP 448 HB1 ASP 448 19.047 -4.520 -18.239
21 H GLN 449 HN GLN 449 19.764 -1.520 -17.667
22 HA GLN 449 HA GLN 449 21.609 -2.648 -15.704
23 HB2 GLN 449 HB2 GLN 449 21.870 -0.686 -17.967
24 HB3 GLN 449 HB1 GLN 449 23.136 -0.827 -16.747
25 HG2 GLN 449 HG2 GLN 449 23.535 -3.112 -17.273
26 HG3 GLN 449 HG1 GLN 449 22.039 -3.240 -18.196
27 HE21 GLN 449 HE21 GLN 449 23.316 -3.944 -20.100
28 HE22 GLN 449 HE22 GLN 449 24.194 -2.807 -21.004
29 H PHE 450 HN PHE 450 19.354 -0.113 -15.939
30 HA PHE 450 HA PHE 450 20.701 1.593 -13.988
31 HB2 PHE 450 HB2 PHE 450 19.559 3.140 -15.148
32 HB3 PHE 450 HB1 PHE 450 18.577 1.907 -15.940
33 HD1 PHE 450 HD1 PHE 450 18.884 4.056 -12.936
34 HD2 PHE 450 HD2 PHE 450 16.397 1.308 -15.108
35 HE1 PHE 450 HE1 PHE 450 16.956 4.665 -11.501
36 HE2 PHE 450 HE2 PHE 450 14.468 1.918 -13.673
37 HZ PHE 450 HZ PHE 450 14.748 3.598 -11.869
38 H ILE 451 HN ILE 451 18.586 -1.056 -14.014
39 HA ILE 451 HA ILE 451 17.253 -0.358 -11.514
40 HB ILE 451 HB ILE 451 17.067 -2.648 -13.451
41 HG12 ILE 451 HG12 ILE 451 14.782 -1.149 -12.219
42 HG13 ILE 451 HG11 ILE 451 15.767 -0.329 -13.431
43 HG21 ILE 451 HG21 ILE 451 16.979 -3.876 -11.451
44 HG22 ILE 451 HG22 ILE 451 15.283 -3.485 -11.740
45 HG23 ILE 451 HG23 ILE 451 16.214 -2.557 -10.564
46 HD11 ILE 451 HD11 ILE 451 14.406 -3.014 -13.802
47 HD12 ILE 451 HD12 ILE 451 15.376 -2.176 -15.014
48 HD13 ILE 451 HD13 ILE 451 13.845 -1.484 -14.476
49 H ILE 452 HN ILE 452 19.329 -3.028 -12.670
50 HA ILE 452 HA ILE 452 19.799 -4.250 -10.218
51 HB ILE 452 HB ILE 452 21.912 -5.084 -11.261
52 HG12 ILE 452 HG12 ILE 452 21.076 -3.190 -13.481
53 HG13 ILE 452 HG11 ILE 452 22.526 -3.048 -12.488
54 HG21 ILE 452 HG21 ILE 452 19.588 -5.103 -13.202
55 HG22 ILE 452 HG22 ILE 452 19.607 -6.051 -11.714
56 HG23 ILE 452 HG23 ILE 452 20.805 -6.358 -12.973
57 HD11 ILE 452 HD11 ILE 452 23.096 -5.427 -13.326
58 HD12 ILE 452 HD12 ILE 452 23.293 -4.095 -14.463
59 HD13 ILE 452 HD13 ILE 452 21.874 -5.137 -14.564
60 H ALA 453 HN ALA 453 20.830 -1.190 -11.327
61 HA ALA 453 HA ALA 453 23.222 -0.968 -9.760
62 HB1 ALA 453 HB1 ALA 453 23.395 1.154 -10.626
63 HB2 ALA 453 HB2 ALA 453 21.660 1.454 -10.522
64 HB3 ALA 453 HB3 ALA 453 22.305 0.453 -11.823
65 H TYR 454 HN TYR 454 19.838 -0.003 -9.321
66 HA TYR 454 HA TYR 454 20.429 1.006 -6.637
67 HB2 TYR 454 HB2 TYR 454 17.987 1.060 -8.403
68 HB3 TYR 454 HB1 TYR 454 17.912 1.508 -6.697
69 HD1 TYR 454 HD1 TYR 454 19.372 2.364 -9.987
70 HD2 TYR 454 HD2 TYR 454 18.930 3.544 -5.880
71 HE1 TYR 454 HE1 TYR 454 20.262 4.613 -10.538
72 HE2 TYR 454 HE2 TYR 454 19.820 5.793 -6.431
73 HH TYR 454 HH TYR 454 20.550 7.137 -8.033
74 H GLY 455 HN GLY 455 20.398 -1.927 -7.592
75 HA2 GLY 455 HA2 GLY 455 19.707 -3.981 -6.805
76 HA3 GLY 455 HA1 GLY 455 19.704 -3.176 -5.239
77 H GLY 456 HN GLY 456 17.640 -2.707 -8.103
78 HA2 GLY 456 HA2 GLY 456 15.382 -3.280 -8.381
79 HA3 GLY 456 HA1 GLY 456 15.337 -3.827 -6.708
80 H LEU 457 HN LEU 457 16.761 -1.125 -6.111
81 HA LEU 457 HA LEU 457 16.119 0.925 -5.305
82 HB2 LEU 457 HB2 LEU 457 15.733 1.261 -7.779
83 HB3 LEU 457 HB1 LEU 457 14.041 0.854 -7.504
84 HG LEU 457 HG LEU 457 14.793 2.804 -5.551
85 HD11 LEU 457 HD11 LEU 457 15.373 4.679 -7.092
86 HD12 LEU 457 HD12 LEU 457 15.535 3.513 -8.405
87 HD13 LEU 457 HD13 LEU 457 16.631 3.445 -7.026
88 HD21 LEU 457 HD21 LEU 457 12.534 2.373 -6.547
89 HD22 LEU 457 HD22 LEU 457 13.103 3.080 -8.058
90 HD23 LEU 457 HD23 LEU 457 12.994 4.074 -6.605
91 H ARG 458 HN ARG 458 14.648 -1.666 -4.573
92 HA ARG 458 HA ARG 458 11.976 -0.899 -3.927
93 HB2 ARG 458 HB2 ARG 458 11.792 -2.984 -2.805
94 HB3 ARG 458 HB1 ARG 458 12.808 -3.272 -4.213
95 HG2 ARG 458 HG2 ARG 458 13.832 -2.819 -1.385
96 HG3 ARG 458 HG1 ARG 458 13.711 -4.375 -2.191
97 HD2 ARG 458 HD2 ARG 458 15.944 -3.785 -2.553
98 HD3 ARG 458 HD1 ARG 458 15.161 -3.292 -4.049
99 HE ARG 458 HE ARG 458 15.042 -1.038 -2.538
100 HH11 ARG 458 HH21 ARG 458 17.559 -3.278 -3.321
101 HH12 ARG 458 HH22 ARG 458 18.822 -2.095 -3.260
102 HH21 ARG 458 HH11 ARG 458 16.692 0.522 -2.461
103 HH22 ARG 458 HH12 ARG 458 18.330 0.058 -2.773
104 H GLY 459 HN GLY 459 14.473 0.650 -2.924
105 HA2 GLY 459 HA2 GLY 459 13.837 0.649 -0.044
106 HA3 GLY 459 HA1 GLY 459 15.291 1.326 -0.772
107 H ALA 460 HN ALA 460 13.097 2.289 -2.881
108 HA ALA 460 HA ALA 460 12.666 4.858 -1.507
109 HB1 ALA 460 HB1 ALA 460 13.028 5.864 -3.492
110 HB2 ALA 460 HB2 ALA 460 11.990 4.726 -4.353
111 HB3 ALA 460 HB3 ALA 460 13.669 4.307 -4.016
112 H ILE 461 HN ILE 461 11.052 2.035 -2.201
113 HA ILE 461 HA ILE 461 8.455 3.272 -2.717
114 HB ILE 461 HB ILE 461 9.384 0.406 -2.511
115 HG12 ILE 461 HG12 ILE 461 8.653 0.377 -4.884
116 HG13 ILE 461 HG11 ILE 461 8.216 2.081 -4.759
117 HG21 ILE 461 HG21 ILE 461 6.606 1.574 -2.671
118 HG22 ILE 461 HG22 ILE 461 7.207 0.316 -1.590
119 HG23 ILE 461 HG23 ILE 461 6.964 -0.034 -3.301
120 HD11 ILE 461 HD11 ILE 461 10.430 2.782 -4.637
121 HD12 ILE 461 HD12 ILE 461 10.585 1.384 -5.700
122 HD13 ILE 461 HD13 ILE 461 10.991 1.240 -3.991
123 H ALA 462 HN ALA 462 9.761 0.959 -0.332
124 HA ALA 462 HA ALA 462 7.614 1.134 1.472
125 HB1 ALA 462 HB1 ALA 462 10.265 0.687 2.673
126 HB2 ALA 462 HB2 ALA 462 9.889 -0.371 1.311
127 HB3 ALA 462 HB3 ALA 462 8.820 -0.325 2.713
128 H PHE 463 HN PHE 463 10.433 3.157 1.005
129 HA PHE 463 HA PHE 463 10.232 4.559 3.491
130 HB2 PHE 463 HB2 PHE 463 12.283 5.125 2.774
131 HB3 PHE 463 HB1 PHE 463 11.908 4.630 1.122
132 HD1 PHE 463 HD2 PHE 463 11.876 7.424 3.527
133 HD2 PHE 463 HD1 PHE 463 11.030 6.215 -0.507
134 HE1 PHE 463 HE2 PHE 463 11.695 9.804 2.853
135 HE2 PHE 463 HE1 PHE 463 10.850 8.596 -1.182
136 HZ PHE 463 HZ PHE 463 11.182 10.389 0.497
137 H SER 464 HN SER 464 9.249 5.317 0.154
138 HA SER 464 HA SER 464 8.154 7.844 0.626
139 HB2 SER 464 HB2 SER 464 8.329 7.326 -1.632
140 HB3 SER 464 HB1 SER 464 7.674 5.706 -1.417
141 HG SER 464 HG SER 464 6.076 6.937 -2.325
142 H LEU 465 HN LEU 465 6.594 4.646 0.722
143 HA LEU 465 HA LEU 465 4.044 5.683 1.518
144 HB2 LEU 465 HB2 LEU 465 5.251 2.921 1.443
145 HB3 LEU 465 HB1 LEU 465 3.638 3.214 2.095
146 HG LEU 465 HG LEU 465 4.132 4.507 -0.505
147 HD11 LEU 465 HD11 LEU 465 5.410 2.429 -0.845
148 HD12 LEU 465 HD12 LEU 465 3.916 2.398 -1.781
149 HD13 LEU 465 HD13 LEU 465 4.034 1.483 -0.278
150 HD21 LEU 465 HD21 LEU 465 1.979 2.620 0.502
151 HD22 LEU 465 HD22 LEU 465 1.885 3.634 -0.937
152 HD23 LEU 465 HD23 LEU 465 1.931 4.375 0.663
153 H GLY 466 HN GLY 466 6.890 4.487 3.187
154 HA2 GLY 466 HA2 GLY 466 5.547 4.538 5.781
155 HA3 GLY 466 HA1 GLY 466 7.205 4.033 5.472
156 H TYR 467 HN TYR 467 6.791 6.830 3.798
157 HA TYR 467 HA TYR 467 8.242 8.367 5.801
158 HB2 TYR 467 HB2 TYR 467 9.224 8.782 3.766
159 HB3 TYR 467 HB1 TYR 467 7.712 8.604 2.878
160 HD1 TYR 467 HD2 TYR 467 9.472 10.849 5.297
161 HD2 TYR 467 HD1 TYR 467 6.465 10.499 2.249
162 HE1 TYR 467 HE2 TYR 467 9.173 13.311 5.309
163 HE2 TYR 467 HE1 TYR 467 6.165 12.961 2.262
164 HH TYR 467 HH TYR 467 7.072 14.910 4.624
165 H LEU 468 HN LEU 468 5.117 8.385 4.170
166 HA LEU 468 HA LEU 468 4.245 10.919 5.088
167 HB2 LEU 468 HB2 LEU 468 2.600 8.483 4.357
168 HB3 LEU 468 HB1 LEU 468 1.998 10.136 4.484
169 HG LEU 468 HG LEU 468 4.341 9.627 2.695
170 HD11 LEU 468 HD11 LEU 468 1.477 8.854 2.113
171 HD12 LEU 468 HD12 LEU 468 2.917 7.845 1.980
172 HD13 LEU 468 HD13 LEU 468 2.661 9.167 0.842
173 HD21 LEU 468 HD21 LEU 468 3.050 11.869 3.301
174 HD22 LEU 468 HD22 LEU 468 1.938 11.298 2.058
175 HD23 LEU 468 HD23 LEU 468 3.634 11.580 1.663
176 H LEU 469 HN LEU 469 2.744 7.865 6.095
177 HA LEU 469 HA LEU 469 1.607 8.720 8.435
178 HB2 LEU 469 HB2 LEU 469 1.689 6.376 9.197
179 HB3 LEU 469 HB1 LEU 469 1.218 6.488 7.501
180 HG LEU 469 HG LEU 469 3.970 6.354 7.345
181 HD11 LEU 469 HD11 LEU 469 3.120 4.290 9.384
182 HD12 LEU 469 HD12 LEU 469 3.874 5.814 9.852
183 HD13 LEU 469 HD13 LEU 469 4.754 4.671 8.837
184 HD21 LEU 469 HD21 LEU 469 3.495 3.913 6.738
185 HD22 LEU 469 HD22 LEU 469 2.548 5.120 5.868
186 HD23 LEU 469 HD23 LEU 469 1.823 4.226 7.204
187 H ASP 470 HN ASP 470 4.940 8.393 7.768
188 HA ASP 470 HA ASP 470 5.793 8.068 10.512
189 HB2 ASP 470 HB2 ASP 470 7.365 7.187 9.053
190 HB3 ASP 470 HB1 ASP 470 7.158 8.487 7.880
191 H LYS 471 HN LYS 471 5.477 10.708 8.187
192 HA LYS 471 HA LYS 471 6.314 12.627 10.265
193 HB2 LYS 471 HB2 LYS 471 6.020 12.929 7.267
194 HB3 LYS 471 HB1 LYS 471 6.452 14.241 8.365
195 HG2 LYS 471 HG2 LYS 471 8.126 11.974 8.925
196 HG3 LYS 471 HG1 LYS 471 8.187 12.318 7.196
197 HD2 LYS 471 HD2 LYS 471 8.741 14.659 7.648
198 HD3 LYS 471 HD1 LYS 471 8.605 14.375 9.383
199 HE2 LYS 471 HE2 LYS 471 10.474 12.677 7.759
200 HE3 LYS 471 HE1 LYS 471 10.973 14.300 8.238
201 HZ1 LYS 471 HZ1 LYS 471 9.923 13.291 10.513
202 HZ2 LYS 471 HZ2 LYS 471 11.579 13.331 10.136
203 HZ3 LYS 471 HZ3 LYS 471 10.670 11.928 9.835
204 H LYS 472 HN LYS 472 3.773 12.068 7.833
205 HA LYS 472 HA LYS 472 2.097 14.146 8.986
206 HB2 LYS 472 HB2 LYS 472 1.339 12.144 6.855
207 HB3 LYS 472 HB1 LYS 472 0.603 13.715 7.175
208 HG2 LYS 472 HG2 LYS 472 3.428 13.233 6.179
209 HG3 LYS 472 HG1 LYS 472 2.087 13.889 5.238
210 HD2 LYS 472 HD2 LYS 472 1.969 15.671 7.162
211 HD3 LYS 472 HD1 LYS 472 3.631 15.170 7.473
212 HE2 LYS 472 HE2 LYS 472 4.083 15.549 4.997
213 HE3 LYS 472 HE1 LYS 472 2.499 16.321 4.913
214 HZ1 LYS 472 HZ1 LYS 472 3.495 17.580 7.003
215 HZ2 LYS 472 HZ2 LYS 472 3.734 18.128 5.413
216 HZ3 LYS 472 HZ3 LYS 472 4.949 17.237 6.199
217 HN1 NH2 473 H1 NH2 473 2.661 12.051 10.875
218 HN2 NH2 473 H2 NH2 473 1.207 11.233 11.192
Start of MODEL 6
1 H1 ACE 446 HA2 ACE 446 18.939 0.940 -21.879
2 H2 ACE 446 HA3 ACE 446 19.534 -0.585 -21.220
3 H3 ACE 446 HA1 ACE 446 20.489 0.886 -21.039
4 H LYS 447 HN LYS 447 17.286 -0.457 -20.232
5 HA LYS 447 HA LYS 447 17.101 1.328 -17.918
6 HB2 LYS 447 HB2 LYS 447 15.111 1.076 -19.325
7 HB3 LYS 447 HB1 LYS 447 15.124 -0.666 -19.048
8 HG2 LYS 447 HG2 LYS 447 15.226 0.903 -16.568
9 HG3 LYS 447 HG1 LYS 447 13.758 1.176 -17.505
10 HD2 LYS 447 HD2 LYS 447 14.791 -1.606 -16.928
11 HD3 LYS 447 HD1 LYS 447 13.703 -0.766 -15.824
12 HE2 LYS 447 HE2 LYS 447 11.911 -1.084 -17.173
13 HE3 LYS 447 HE1 LYS 447 12.819 -0.657 -18.622
14 HZ1 LYS 447 HZ1 LYS 447 12.348 -2.888 -18.915
15 HZ2 LYS 447 HZ2 LYS 447 12.603 -3.274 -17.279
16 HZ3 LYS 447 HZ3 LYS 447 13.923 -2.927 -18.289
17 H ASP 448 HN ASP 448 17.328 -2.107 -18.712
18 HA ASP 448 HA ASP 448 17.039 -3.072 -16.053
19 HB2 ASP 448 HB2 ASP 448 17.048 -4.270 -18.461
20 HB3 ASP 448 HB1 ASP 448 18.707 -4.606 -17.971
21 H GLN 449 HN GLN 449 19.499 -1.313 -17.522
22 HA GLN 449 HA GLN 449 21.663 -2.476 -15.941
23 HB2 GLN 449 HB2 GLN 449 21.447 -0.718 -18.271
24 HB3 GLN 449 HB1 GLN 449 22.654 -0.175 -17.105
25 HG2 GLN 449 HG2 GLN 449 22.494 -3.039 -18.063
26 HG3 GLN 449 HG1 GLN 449 23.480 -1.823 -18.872
27 HE21 GLN 449 HE21 GLN 449 25.252 -3.457 -18.105
28 HE22 GLN 449 HE22 GLN 449 25.902 -3.191 -16.560
29 H PHE 450 HN PHE 450 19.318 -0.006 -15.694
30 HA PHE 450 HA PHE 450 20.858 1.577 -13.781
31 HB2 PHE 450 HB2 PHE 450 19.557 3.187 -14.647
32 HB3 PHE 450 HB1 PHE 450 18.530 2.002 -15.453
33 HD1 PHE 450 HD2 PHE 450 19.166 3.654 -12.168
34 HD2 PHE 450 HD1 PHE 450 16.385 1.467 -14.604
35 HE1 PHE 450 HE2 PHE 450 17.380 4.061 -10.496
36 HE2 PHE 450 HE1 PHE 450 14.600 1.873 -12.931
37 HZ PHE 450 HZ PHE 450 15.097 3.170 -10.878
38 H ILE 451 HN ILE 451 18.135 -0.664 -13.871
39 HA ILE 451 HA ILE 451 17.290 -0.344 -11.191
40 HB ILE 451 HB ILE 451 16.996 -2.521 -13.240
41 HG12 ILE 451 HG12 ILE 451 14.901 -0.970 -11.705
42 HG13 ILE 451 HG11 ILE 451 15.639 -0.340 -13.178
43 HG21 ILE 451 HG21 ILE 451 16.379 -2.626 -10.294
44 HG22 ILE 451 HG22 ILE 451 17.106 -3.867 -11.316
45 HG23 ILE 451 HG23 ILE 451 15.383 -3.514 -11.448
46 HD11 ILE 451 HD11 ILE 451 13.502 -1.558 -13.616
47 HD12 ILE 451 HD12 ILE 451 14.244 -3.023 -12.973
48 HD13 ILE 451 HD13 ILE 451 14.882 -2.283 -14.441
49 H ILE 452 HN ILE 452 19.213 -2.996 -12.621
50 HA ILE 452 HA ILE 452 19.926 -4.346 -10.348
51 HB ILE 452 HB ILE 452 20.548 -5.071 -12.618
52 HG12 ILE 452 HG12 ILE 452 23.046 -4.700 -10.945
53 HG13 ILE 452 HG11 ILE 452 21.777 -5.848 -10.518
54 HG21 ILE 452 HG21 ILE 452 21.394 -2.546 -13.031
55 HG22 ILE 452 HG22 ILE 452 21.993 -3.909 -13.977
56 HG23 ILE 452 HG23 ILE 452 22.937 -3.294 -12.620
57 HD11 ILE 452 HD11 ILE 452 22.831 -5.912 -13.315
58 HD12 ILE 452 HD12 ILE 452 22.232 -7.232 -12.311
59 HD13 ILE 452 HD13 ILE 452 23.846 -6.577 -12.036
60 H ALA 453 HN ALA 453 20.923 -1.188 -11.323
61 HA ALA 453 HA ALA 453 23.261 -1.071 -9.636
62 HB1 ALA 453 HB1 ALA 453 22.033 1.483 -10.395
63 HB2 ALA 453 HB2 ALA 453 22.348 0.416 -11.764
64 HB3 ALA 453 HB3 ALA 453 23.666 0.884 -10.690
65 H TYR 454 HN TYR 454 19.882 -0.064 -9.426
66 HA TYR 454 HA TYR 454 20.256 0.352 -6.532
67 HB2 TYR 454 HB2 TYR 454 18.598 2.181 -8.276
68 HB3 TYR 454 HB1 TYR 454 18.951 2.369 -6.559
69 HD1 TYR 454 HD2 TYR 454 21.597 2.229 -6.012
70 HD2 TYR 454 HD1 TYR 454 19.874 3.467 -9.747
71 HE1 TYR 454 HE2 TYR 454 23.677 3.461 -6.562
72 HE2 TYR 454 HE1 TYR 454 21.955 4.698 -10.298
73 HH TYR 454 HH TYR 454 24.813 4.204 -8.877
74 H GLY 455 HN GLY 455 17.607 0.581 -8.916
75 HA2 GLY 455 HA2 GLY 455 15.482 -0.231 -7.450
76 HA3 GLY 455 HA1 GLY 455 15.686 -0.709 -9.131
77 H GLY 456 HN GLY 456 18.197 -2.189 -8.362
78 HA2 GLY 456 HA2 GLY 456 16.863 -4.607 -7.300
79 HA3 GLY 456 HA1 GLY 456 18.223 -4.620 -8.417
80 H LEU 457 HN LEU 457 20.118 -3.136 -7.432
81 HA LEU 457 HA LEU 457 21.414 -4.532 -5.492
82 HB2 LEU 457 HB2 LEU 457 22.472 -2.728 -6.774
83 HB3 LEU 457 HB1 LEU 457 21.515 -1.530 -5.908
84 HG LEU 457 HG LEU 457 22.589 -2.180 -3.787
85 HD11 LEU 457 HD11 LEU 457 23.155 -4.432 -3.907
86 HD12 LEU 457 HD12 LEU 457 24.727 -3.688 -4.203
87 HD13 LEU 457 HD13 LEU 457 23.769 -4.295 -5.555
88 HD21 LEU 457 HD21 LEU 457 24.534 -1.635 -6.050
89 HD22 LEU 457 HD22 LEU 457 24.893 -1.410 -4.338
90 HD23 LEU 457 HD23 LEU 457 23.655 -0.424 -5.115
91 H ARG 458 HN ARG 458 20.465 -1.312 -4.454
92 HA ARG 458 HA ARG 458 19.823 -0.596 -2.348
93 HB2 ARG 458 HB2 ARG 458 17.743 -2.033 -3.658
94 HB3 ARG 458 HB1 ARG 458 17.658 -2.419 -1.940
95 HG2 ARG 458 HG2 ARG 458 16.328 -0.420 -2.379
96 HG3 ARG 458 HG1 ARG 458 17.739 0.016 -1.416
97 HD2 ARG 458 HD2 ARG 458 18.319 0.137 -4.267
98 HD3 ARG 458 HD1 ARG 458 16.963 1.176 -3.841
99 HE ARG 458 HE ARG 458 19.688 1.665 -3.229
100 HH11 ARG 458 HH21 ARG 458 16.502 1.812 -1.890
101 HH12 ARG 458 HH22 ARG 458 16.865 3.117 -0.811
102 HH21 ARG 458 HH11 ARG 458 20.174 3.375 -1.816
103 HH22 ARG 458 HH12 ARG 458 18.944 4.002 -0.770
104 H GLY 459 HN GLY 459 21.643 -3.050 -2.513
105 HA2 GLY 459 HA2 GLY 459 20.995 -4.288 0.086
106 HA3 GLY 459 HA1 GLY 459 22.084 -4.963 -1.122
107 H ALA 460 HN ALA 460 22.293 -1.578 -0.504
108 HA ALA 460 HA ALA 460 24.572 -1.958 1.324
109 HB1 ALA 460 HB1 ALA 460 24.663 -0.143 -1.091
110 HB2 ALA 460 HB2 ALA 460 25.384 -1.751 -1.048
111 HB3 ALA 460 HB3 ALA 460 25.976 -0.489 0.033
112 H ILE 461 HN ILE 461 23.028 0.742 -0.422
113 HA ILE 461 HA ILE 461 23.293 2.645 1.585
114 HB ILE 461 HB ILE 461 21.355 2.301 -0.682
115 HG12 ILE 461 HG12 ILE 461 22.507 4.335 -1.473
116 HG13 ILE 461 HG11 ILE 461 23.447 4.388 0.019
117 HG21 ILE 461 HG21 ILE 461 19.923 3.387 0.835
118 HG22 ILE 461 HG22 ILE 461 20.673 4.728 -0.028
119 HG23 ILE 461 HG23 ILE 461 21.243 4.285 1.581
120 HD11 ILE 461 HD11 ILE 461 24.596 2.370 -0.511
121 HD12 ILE 461 HD12 ILE 461 24.592 3.309 -2.005
122 HD13 ILE 461 HD13 ILE 461 23.458 1.974 -1.799
123 H ALA 462 HN ALA 462 20.653 0.344 1.010
124 HA ALA 462 HA ALA 462 18.781 1.154 2.840
125 HB1 ALA 462 HB1 ALA 462 18.571 -0.822 1.328
126 HB2 ALA 462 HB2 ALA 462 18.058 -1.154 2.982
127 HB3 ALA 462 HB3 ALA 462 19.630 -1.718 2.416
128 H PHE 463 HN PHE 463 21.846 -0.437 3.457
129 HA PHE 463 HA PHE 463 21.267 -0.690 6.310
130 HB2 PHE 463 HB2 PHE 463 22.618 -2.460 6.025
131 HB3 PHE 463 HB1 PHE 463 23.121 -1.896 4.432
132 HD1 PHE 463 HD2 PHE 463 23.761 -1.564 8.079
133 HD2 PHE 463 HD1 PHE 463 25.195 -0.751 4.113
134 HE1 PHE 463 HE2 PHE 463 25.954 -0.881 9.013
135 HE2 PHE 463 HE1 PHE 463 27.388 -0.067 5.046
136 HZ PHE 463 HZ PHE 463 27.768 -0.132 7.497
137 H SER 464 HN SER 464 22.990 1.371 4.099
138 HA SER 464 HA SER 464 24.753 2.610 5.932
139 HB2 SER 464 HB2 SER 464 24.801 2.743 3.384
140 HB3 SER 464 HB1 SER 464 23.526 3.950 3.524
141 HG SER 464 HG SER 464 24.899 5.305 4.494
142 H LEU 465 HN LEU 465 21.392 3.204 5.067
143 HA LEU 465 HA LEU 465 21.287 5.604 6.728
144 HB2 LEU 465 HB2 LEU 465 19.033 5.864 5.904
145 HB3 LEU 465 HB1 LEU 465 20.076 5.469 4.538
146 HG LEU 465 HG LEU 465 19.316 2.974 5.435
147 HD11 LEU 465 HD11 LEU 465 16.821 4.681 5.456
148 HD12 LEU 465 HD12 LEU 465 17.672 4.258 6.941
149 HD13 LEU 465 HD13 LEU 465 16.987 2.989 5.926
150 HD21 LEU 465 HD21 LEU 465 17.676 3.129 3.462
151 HD22 LEU 465 HD22 LEU 465 19.364 3.505 3.111
152 HD23 LEU 465 HD23 LEU 465 18.193 4.809 3.309
153 H GLY 466 HN GLY 466 20.566 2.227 6.909
154 HA2 GLY 466 HA2 GLY 466 18.840 2.527 9.247
155 HA3 GLY 466 HA1 GLY 466 19.259 1.017 8.445
156 H TYR 467 HN TYR 467 22.067 2.702 8.758
157 HA TYR 467 HA TYR 467 22.897 1.080 11.044
158 HB2 TYR 467 HB2 TYR 467 24.513 0.932 9.392
159 HB3 TYR 467 HB1 TYR 467 24.306 2.610 8.891
160 HD1 TYR 467 HD1 TYR 467 25.630 0.434 11.604
161 HD2 TYR 467 HD2 TYR 467 25.585 4.364 9.872
162 HE1 TYR 467 HE1 TYR 467 27.496 1.110 13.091
163 HE2 TYR 467 HE2 TYR 467 27.449 5.041 11.359
164 HH TYR 467 HH TYR 467 29.432 3.067 12.836
165 H LEU 468 HN LEU 468 22.699 4.489 10.087
166 HA LEU 468 HA LEU 468 23.921 5.638 12.321
167 HB2 LEU 468 HB2 LEU 468 21.604 6.728 10.706
168 HB3 LEU 468 HB1 LEU 468 22.663 7.668 11.756
169 HG LEU 468 HG LEU 468 23.922 5.988 9.622
170 HD11 LEU 468 HD11 LEU 468 23.694 8.026 8.100
171 HD12 LEU 468 HD12 LEU 468 22.418 8.574 9.187
172 HD13 LEU 468 HD13 LEU 468 22.240 7.053 8.310
173 HD21 LEU 468 HD21 LEU 468 25.690 7.463 9.880
174 HD22 LEU 468 HD22 LEU 468 24.989 7.553 11.495
175 HD23 LEU 468 HD23 LEU 468 24.640 8.812 10.310
176 H LEU 469 HN LEU 469 20.400 5.786 11.833
177 HA LEU 469 HA LEU 469 19.668 6.340 14.421
178 HB2 LEU 469 HB2 LEU 469 17.473 5.347 13.882
179 HB3 LEU 469 HB1 LEU 469 18.074 6.351 12.564
180 HG LEU 469 HG LEU 469 19.141 3.878 11.959
181 HD11 LEU 469 HD11 LEU 469 17.781 2.831 13.741
182 HD12 LEU 469 HD12 LEU 469 17.266 2.287 12.145
183 HD13 LEU 469 HD13 LEU 469 16.319 3.497 13.011
184 HD21 LEU 469 HD21 LEU 469 18.172 5.270 10.280
185 HD22 LEU 469 HD22 LEU 469 16.603 5.278 11.087
186 HD23 LEU 469 HD23 LEU 469 17.183 3.811 10.297
187 H ASP 470 HN ASP 470 21.121 3.492 13.297
188 HA ASP 470 HA ASP 470 20.101 1.872 15.525
189 HB2 ASP 470 HB2 ASP 470 21.514 1.297 12.960
190 HB3 ASP 470 HB1 ASP 470 21.734 0.175 14.302
191 H LYS 471 HN LYS 471 23.011 3.441 14.346
192 HA LYS 471 HA LYS 471 24.647 2.290 16.463
193 HB2 LYS 471 HB2 LYS 471 26.483 3.116 15.318
194 HB3 LYS 471 HB1 LYS 471 25.338 2.909 14.000
195 HG2 LYS 471 HG2 LYS 471 26.079 5.077 13.603
196 HG3 LYS 471 HG1 LYS 471 24.634 5.377 14.559
197 HD2 LYS 471 HD2 LYS 471 25.917 6.550 15.995
198 HD3 LYS 471 HD1 LYS 471 26.735 5.055 16.436
199 HE2 LYS 471 HE2 LYS 471 28.345 6.767 15.673
200 HE3 LYS 471 HE1 LYS 471 28.336 5.371 14.595
201 HZ1 LYS 471 HZ1 LYS 471 27.857 8.029 13.942
202 HZ2 LYS 471 HZ2 LYS 471 26.379 7.211 13.759
203 HZ3 LYS 471 HZ3 LYS 471 27.759 6.676 12.924
204 H LYS 472 HN LYS 472 22.843 5.180 15.807
205 HA LYS 472 HA LYS 472 24.134 6.897 17.675
206 HB2 LYS 472 HB2 LYS 472 21.332 6.946 16.533
207 HB3 LYS 472 HB1 LYS 472 22.042 8.243 17.494
208 HG2 LYS 472 HG2 LYS 472 23.835 7.433 15.360
209 HG3 LYS 472 HG1 LYS 472 22.263 7.910 14.718
210 HD2 LYS 472 HD2 LYS 472 22.379 10.029 15.955
211 HD3 LYS 472 HD1 LYS 472 23.933 9.554 16.642
212 HE2 LYS 472 HE2 LYS 472 23.805 9.371 13.703
213 HE3 LYS 472 HE1 LYS 472 23.645 11.009 14.336
214 HZ1 LYS 472 HZ1 LYS 472 25.644 10.417 15.765
215 HZ2 LYS 472 HZ2 LYS 472 25.924 10.687 14.112
216 HZ3 LYS 472 HZ3 LYS 472 25.868 9.100 14.719
217 HN1 NH2 473 H1 NH2 473 21.035 5.062 17.980
218 HN2 NH2 473 H2 NH2 473 21.075 5.012 19.676
Start of MODEL 7
1 H1 ACE 446 HA2 ACE 446 19.024 2.894 -20.900
2 H2 ACE 446 HA3 ACE 446 18.064 1.555 -21.529
3 H3 ACE 446 HA1 ACE 446 19.562 1.231 -20.658
4 H LYS 447 HN LYS 447 17.817 -0.177 -19.524
5 HA LYS 447 HA LYS 447 16.954 1.302 -17.132
6 HB2 LYS 447 HB2 LYS 447 15.183 -0.707 -18.535
7 HB3 LYS 447 HB1 LYS 447 14.777 0.283 -17.134
8 HG2 LYS 447 HG2 LYS 447 15.355 2.294 -18.700
9 HG3 LYS 447 HG1 LYS 447 15.124 1.125 -20.001
10 HD2 LYS 447 HD2 LYS 447 13.112 1.947 -17.893
11 HD3 LYS 447 HD1 LYS 447 12.999 2.194 -19.635
12 HE2 LYS 447 HE2 LYS 447 13.203 -0.411 -19.762
13 HE3 LYS 447 HE1 LYS 447 12.711 -0.357 -18.069
14 HZ1 LYS 447 HZ1 LYS 447 10.982 -0.417 -20.069
15 HZ2 LYS 447 HZ2 LYS 447 11.166 1.266 -19.928
16 HZ3 LYS 447 HZ3 LYS 447 10.649 0.349 -18.593
17 H ASP 448 HN ASP 448 17.437 -1.852 -18.685
18 HA ASP 448 HA ASP 448 17.358 -3.454 -16.386
19 HB2 ASP 448 HB2 ASP 448 17.356 -4.359 -18.679
20 HB3 ASP 448 HB1 ASP 448 19.028 -3.839 -18.880
21 H GLN 449 HN GLN 449 19.877 -1.400 -17.680
22 HA GLN 449 HA GLN 449 21.902 -2.452 -15.877
23 HB2 GLN 449 HB2 GLN 449 21.881 -0.191 -17.881
24 HB3 GLN 449 HB1 GLN 449 23.266 -0.544 -16.848
25 HG2 GLN 449 HG2 GLN 449 22.222 -2.942 -18.148
26 HG3 GLN 449 HG1 GLN 449 22.732 -1.720 -19.312
27 HE21 GLN 449 HE21 GLN 449 23.881 -4.261 -17.387
28 HE22 GLN 449 HE22 GLN 449 25.529 -3.855 -17.402
29 H PHE 450 HN PHE 450 19.410 -0.146 -15.766
30 HA PHE 450 HA PHE 450 20.715 1.525 -13.754
31 HB2 PHE 450 HB2 PHE 450 17.980 1.625 -15.043
32 HB3 PHE 450 HB1 PHE 450 18.513 2.745 -13.790
33 HD1 PHE 450 HD2 PHE 450 19.293 1.482 -17.206
34 HD2 PHE 450 HD1 PHE 450 19.947 4.574 -14.296
35 HE1 PHE 450 HE2 PHE 450 20.454 2.849 -18.919
36 HE2 PHE 450 HE1 PHE 450 21.109 5.940 -16.009
37 HZ PHE 450 HZ PHE 450 21.363 5.078 -18.321
38 H ILE 451 HN ILE 451 17.902 -0.639 -14.019
39 HA ILE 451 HA ILE 451 16.985 -0.476 -11.397
40 HB ILE 451 HB ILE 451 16.988 -2.833 -13.295
41 HG12 ILE 451 HG12 ILE 451 14.553 -1.264 -12.617
42 HG13 ILE 451 HG11 ILE 451 15.753 -0.449 -13.618
43 HG21 ILE 451 HG21 ILE 451 15.015 -3.533 -11.817
44 HG22 ILE 451 HG22 ILE 451 15.618 -2.368 -10.639
45 HG23 ILE 451 HG23 ILE 451 16.621 -3.738 -11.117
46 HD11 ILE 451 HD11 ILE 451 15.579 -2.035 -15.342
47 HD12 ILE 451 HD12 ILE 451 13.911 -1.877 -14.792
48 HD13 ILE 451 HD13 ILE 451 14.882 -3.254 -14.277
49 H ILE 452 HN ILE 452 19.054 -3.085 -12.701
50 HA ILE 452 HA ILE 452 19.705 -4.293 -10.294
51 HB ILE 452 HB ILE 452 21.670 -5.193 -11.435
52 HG12 ILE 452 HG12 ILE 452 21.072 -2.990 -13.430
53 HG13 ILE 452 HG11 ILE 452 22.548 -3.204 -12.486
54 HG21 ILE 452 HG21 ILE 452 19.269 -5.880 -12.048
55 HG22 ILE 452 HG22 ILE 452 20.530 -6.289 -13.211
56 HG23 ILE 452 HG23 ILE 452 19.482 -4.900 -13.498
57 HD11 ILE 452 HD11 ILE 452 23.096 -4.066 -14.622
58 HD12 ILE 452 HD12 ILE 452 21.539 -4.876 -14.788
59 HD13 ILE 452 HD13 ILE 452 22.739 -5.497 -13.655
60 H ALA 453 HN ALA 453 20.675 -1.237 -11.515
61 HA ALA 453 HA ALA 453 23.110 -0.958 -10.035
62 HB1 ALA 453 HB1 ALA 453 23.250 1.099 -11.011
63 HB2 ALA 453 HB2 ALA 453 21.547 1.463 -10.730
64 HB3 ALA 453 HB3 ALA 453 22.017 0.426 -12.078
65 H TYR 454 HN TYR 454 19.787 0.236 -9.554
66 HA TYR 454 HA TYR 454 20.476 1.076 -6.833
67 HB2 TYR 454 HB2 TYR 454 17.758 1.319 -8.098
68 HB3 TYR 454 HB1 TYR 454 18.482 2.316 -6.838
69 HD1 TYR 454 HD1 TYR 454 21.000 3.183 -7.710
70 HD2 TYR 454 HD2 TYR 454 17.510 2.469 -10.113
71 HE1 TYR 454 HE1 TYR 454 21.863 4.746 -9.430
72 HE2 TYR 454 HE2 TYR 454 18.375 4.032 -11.833
73 HH TYR 454 HH TYR 454 21.313 4.894 -12.220
74 H GLY 455 HN GLY 455 20.153 -1.791 -7.854
75 HA2 GLY 455 HA2 GLY 455 19.103 -3.762 -7.223
76 HA3 GLY 455 HA1 GLY 455 19.326 -3.084 -5.612
77 H GLY 456 HN GLY 456 17.104 -3.218 -8.360
78 HA2 GLY 456 HA2 GLY 456 14.825 -2.956 -8.515
79 HA3 GLY 456 HA1 GLY 456 14.792 -3.689 -6.915
80 H LEU 457 HN LEU 457 16.654 -0.900 -6.861
81 HA LEU 457 HA LEU 457 16.341 1.160 -5.896
82 HB2 LEU 457 HB2 LEU 457 15.025 1.498 -7.990
83 HB3 LEU 457 HB1 LEU 457 13.582 0.954 -7.137
84 HG LEU 457 HG LEU 457 14.941 2.990 -5.594
85 HD11 LEU 457 HD11 LEU 457 14.558 4.872 -7.158
86 HD12 LEU 457 HD12 LEU 457 14.147 3.718 -8.427
87 HD13 LEU 457 HD13 LEU 457 15.782 3.760 -7.767
88 HD21 LEU 457 HD21 LEU 457 12.733 3.978 -5.588
89 HD22 LEU 457 HD22 LEU 457 12.528 2.229 -5.482
90 HD23 LEU 457 HD23 LEU 457 12.263 3.058 -7.017
91 H ARG 458 HN ARG 458 14.991 -1.540 -4.836
92 HA ARG 458 HA ARG 458 12.873 -1.074 -3.199
93 HB2 ARG 458 HB2 ARG 458 15.342 -2.537 -2.253
94 HB3 ARG 458 HB1 ARG 458 13.674 -2.819 -1.759
95 HG2 ARG 458 HG2 ARG 458 14.847 -3.305 -4.513
96 HG3 ARG 458 HG1 ARG 458 14.327 -4.532 -3.362
97 HD2 ARG 458 HD2 ARG 458 12.647 -2.615 -4.953
98 HD3 ARG 458 HD1 ARG 458 12.495 -4.361 -4.818
99 HE ARG 458 HE ARG 458 12.041 -3.478 -2.272
100 HH11 ARG 458 HH21 ARG 458 10.785 -2.710 -5.404
101 HH12 ARG 458 HH22 ARG 458 9.214 -2.273 -4.819
102 HH21 ARG 458 HH11 ARG 458 9.984 -2.904 -1.497
103 HH22 ARG 458 HH12 ARG 458 8.761 -2.383 -2.608
104 H GLY 459 HN GLY 459 15.999 0.354 -2.973
105 HA2 GLY 459 HA2 GLY 459 15.895 1.112 -0.215
106 HA3 GLY 459 HA1 GLY 459 16.974 1.777 -1.438
107 H ALA 460 HN ALA 460 13.428 1.715 -1.438
108 HA ALA 460 HA ALA 460 13.315 4.587 -0.912
109 HB1 ALA 460 HB1 ALA 460 12.277 5.189 -2.946
110 HB2 ALA 460 HB2 ALA 460 12.004 3.506 -3.400
111 HB3 ALA 460 HB3 ALA 460 13.636 4.173 -3.428
112 H ILE 461 HN ILE 461 11.637 1.561 -1.597
113 HA ILE 461 HA ILE 461 9.046 2.417 -0.821
114 HB ILE 461 HB ILE 461 10.385 -0.254 -1.125
115 HG12 ILE 461 HG12 ILE 461 8.729 -0.504 -2.892
116 HG13 ILE 461 HG11 ILE 461 7.918 0.979 -2.390
117 HG21 ILE 461 HG21 ILE 461 9.005 -0.766 0.710
118 HG22 ILE 461 HG22 ILE 461 7.977 -1.137 -0.674
119 HG23 ILE 461 HG23 ILE 461 7.757 0.374 0.208
120 HD11 ILE 461 HD11 ILE 461 10.826 0.976 -3.192
121 HD12 ILE 461 HD12 ILE 461 9.715 2.342 -3.108
122 HD13 ILE 461 HD13 ILE 461 9.542 1.143 -4.390
123 H ALA 462 HN ALA 462 11.786 1.088 0.949
124 HA ALA 462 HA ALA 462 10.411 0.620 3.395
125 HB1 ALA 462 HB1 ALA 462 12.761 0.691 4.361
126 HB2 ALA 462 HB2 ALA 462 13.328 1.035 2.727
127 HB3 ALA 462 HB3 ALA 462 12.501 -0.485 3.073
128 H PHE 463 HN PHE 463 11.831 3.437 1.920
129 HA PHE 463 HA PHE 463 11.711 4.989 4.388
130 HB2 PHE 463 HB2 PHE 463 13.394 6.047 3.349
131 HB3 PHE 463 HB1 PHE 463 13.046 5.223 1.829
132 HD1 PHE 463 HD1 PHE 463 11.992 8.082 3.981
133 HD2 PHE 463 HD2 PHE 463 11.949 6.344 0.053
134 HE1 PHE 463 HE1 PHE 463 11.024 10.174 3.065
135 HE2 PHE 463 HE2 PHE 463 10.982 8.436 -0.863
136 HZ PHE 463 HZ PHE 463 10.519 10.350 0.644
137 H SER 464 HN SER 464 10.151 4.937 1.192
138 HA SER 464 HA SER 464 8.445 7.116 1.497
139 HB2 SER 464 HB2 SER 464 8.495 4.679 -0.168
140 HB3 SER 464 HB1 SER 464 6.906 5.406 0.045
141 HG SER 464 HG SER 464 9.284 6.656 -0.883
142 H LEU 465 HN LEU 465 8.357 4.002 2.999
143 HA LEU 465 HA LEU 465 5.569 4.105 3.739
144 HB2 LEU 465 HB2 LEU 465 7.766 2.217 3.948
145 HB3 LEU 465 HB1 LEU 465 6.855 2.321 5.457
146 HG LEU 465 HG LEU 465 4.755 1.949 4.228
147 HD11 LEU 465 HD11 LEU 465 4.733 2.495 2.039
148 HD12 LEU 465 HD12 LEU 465 5.623 1.004 1.735
149 HD13 LEU 465 HD13 LEU 465 6.494 2.520 1.969
150 HD21 LEU 465 HD21 LEU 465 6.832 -0.118 3.444
151 HD22 LEU 465 HD22 LEU 465 5.110 -0.390 3.697
152 HD23 LEU 465 HD23 LEU 465 6.147 0.018 5.063
153 H GLY 466 HN GLY 466 8.500 4.006 5.774
154 HA2 GLY 466 HA2 GLY 466 7.234 5.020 8.085
155 HA3 GLY 466 HA1 GLY 466 8.972 4.978 7.806
156 H TYR 467 HN TYR 467 7.651 6.585 5.248
157 HA TYR 467 HA TYR 467 8.535 9.158 6.260
158 HB2 TYR 467 HB2 TYR 467 9.176 9.150 4.090
159 HB3 TYR 467 HB1 TYR 467 7.959 7.959 3.633
160 HD1 TYR 467 HD2 TYR 467 8.276 11.536 4.705
161 HD2 TYR 467 HD1 TYR 467 6.084 8.644 2.406
162 HE1 TYR 467 HE2 TYR 467 6.857 13.347 3.776
163 HE2 TYR 467 HE1 TYR 467 4.665 10.453 1.480
164 HH TYR 467 HH TYR 467 4.177 12.618 1.541
165 H LEU 468 HN LEU 468 5.530 7.522 5.526
166 HA LEU 468 HA LEU 468 3.902 9.886 5.629
167 HB2 LEU 468 HB2 LEU 468 3.159 6.958 5.828
168 HB3 LEU 468 HB1 LEU 468 2.015 8.288 5.639
169 HG LEU 468 HG LEU 468 4.076 8.548 3.655
170 HD11 LEU 468 HD11 LEU 468 4.355 6.098 3.999
171 HD12 LEU 468 HD12 LEU 468 3.717 6.478 2.400
172 HD13 LEU 468 HD13 LEU 468 2.639 5.876 3.660
173 HD21 LEU 468 HD21 LEU 468 2.160 8.519 2.149
174 HD22 LEU 468 HD22 LEU 468 1.726 9.421 3.600
175 HD23 LEU 468 HD23 LEU 468 1.156 7.767 3.388
176 H LEU 469 HN LEU 469 3.983 7.019 7.759
177 HA LEU 469 HA LEU 469 2.544 8.150 9.867
178 HB2 LEU 469 HB2 LEU 469 4.298 6.408 11.120
179 HB3 LEU 469 HB1 LEU 469 2.727 5.985 10.446
180 HG LEU 469 HG LEU 469 5.208 6.020 8.722
181 HD11 LEU 469 HD11 LEU 469 4.175 3.833 10.534
182 HD12 LEU 469 HD12 LEU 469 5.807 4.498 10.456
183 HD13 LEU 469 HD13 LEU 469 5.197 3.499 9.137
184 HD21 LEU 469 HD21 LEU 469 2.539 5.753 8.120
185 HD22 LEU 469 HD22 LEU 469 3.020 4.070 8.329
186 HD23 LEU 469 HD23 LEU 469 3.846 5.081 7.143
187 H ASP 470 HN ASP 470 5.627 8.947 8.751
188 HA ASP 470 HA ASP 470 6.647 9.848 11.329
189 HB2 ASP 470 HB2 ASP 470 8.371 9.052 9.962
190 HB3 ASP 470 HB1 ASP 470 7.711 9.821 8.520
191 H LYS 471 HN LYS 471 5.322 11.207 8.349
192 HA LYS 471 HA LYS 471 5.479 13.909 9.504
193 HB2 LYS 471 HB2 LYS 471 4.695 13.068 6.704
194 HB3 LYS 471 HB1 LYS 471 4.996 14.713 7.261
195 HG2 LYS 471 HG2 LYS 471 7.039 12.470 7.248
196 HG3 LYS 471 HG1 LYS 471 6.965 13.786 6.076
197 HD2 LYS 471 HD2 LYS 471 7.034 15.300 8.247
198 HD3 LYS 471 HD1 LYS 471 7.763 13.863 8.964
199 HE2 LYS 471 HE2 LYS 471 9.613 15.072 8.137
200 HE3 LYS 471 HE1 LYS 471 9.313 13.862 6.891
201 HZ1 LYS 471 HZ1 LYS 471 8.967 16.736 6.799
202 HZ2 LYS 471 HZ2 LYS 471 7.712 15.838 6.090
203 HZ3 LYS 471 HZ3 LYS 471 9.311 15.642 5.550
204 H LYS 472 HN LYS 472 3.141 11.716 7.943
205 HA LYS 472 HA LYS 472 0.879 13.365 8.450
206 HB2 LYS 472 HB2 LYS 472 1.243 10.477 7.694
207 HB3 LYS 472 HB1 LYS 472 -0.355 11.116 8.078
208 HG2 LYS 472 HG2 LYS 472 0.226 11.208 5.625
209 HG3 LYS 472 HG1 LYS 472 -0.188 12.773 6.327
210 HD2 LYS 472 HD2 LYS 472 2.086 13.455 6.422
211 HD3 LYS 472 HD1 LYS 472 2.669 11.810 6.162
212 HE2 LYS 472 HE2 LYS 472 2.058 11.826 3.883
213 HE3 LYS 472 HE1 LYS 472 0.974 13.201 4.092
214 HZ1 LYS 472 HZ1 LYS 472 3.881 13.424 4.576
215 HZ2 LYS 472 HZ2 LYS 472 2.755 14.668 4.307
216 HZ3 LYS 472 HZ3 LYS 472 3.218 13.645 3.032
217 HN1 NH2 473 H1 NH2 473 0.829 10.078 9.768
218 HN2 NH2 473 H2 NH2 473 0.500 10.543 11.367
Start of MODEL 8
1 H1 ACE 446 HA2 ACE 446 17.870 0.887 -21.889
2 H2 ACE 446 HA3 ACE 446 19.245 0.284 -20.961
3 H3 ACE 446 HA1 ACE 446 19.069 2.014 -21.252
4 H LYS 447 HN LYS 447 17.787 -0.755 -19.496
5 HA LYS 447 HA LYS 447 16.755 1.078 -17.445
6 HB2 LYS 447 HB2 LYS 447 15.169 -0.937 -18.993
7 HB3 LYS 447 HB1 LYS 447 14.765 -0.637 -17.302
8 HG2 LYS 447 HG2 LYS 447 14.309 1.658 -17.702
9 HG3 LYS 447 HG1 LYS 447 15.102 1.622 -19.277
10 HD2 LYS 447 HD2 LYS 447 12.607 1.609 -19.447
11 HD3 LYS 447 HD1 LYS 447 13.351 0.186 -20.176
12 HE2 LYS 447 HE2 LYS 447 11.320 -0.204 -18.630
13 HE3 LYS 447 HE1 LYS 447 12.747 -1.205 -18.359
14 HZ1 LYS 447 HZ1 LYS 447 12.005 -0.366 -16.271
15 HZ2 LYS 447 HZ2 LYS 447 11.957 1.229 -16.854
16 HZ3 LYS 447 HZ3 LYS 447 13.448 0.434 -16.663
17 H ASP 448 HN ASP 448 17.675 -2.183 -18.415
18 HA ASP 448 HA ASP 448 17.527 -3.421 -15.887
19 HB2 ASP 448 HB2 ASP 448 18.573 -4.051 -18.513
20 HB3 ASP 448 HB1 ASP 448 19.662 -4.616 -17.249
21 H GLN 449 HN GLN 449 20.321 -1.971 -17.573
22 HA GLN 449 HA GLN 449 22.164 -2.331 -15.467
23 HB2 GLN 449 HB2 GLN 449 22.146 -0.195 -17.612
24 HB3 GLN 449 HB1 GLN 449 23.536 -0.676 -16.639
25 HG2 GLN 449 HG2 GLN 449 22.885 -3.092 -17.562
26 HG3 GLN 449 HG1 GLN 449 22.184 -2.138 -18.867
27 HE21 GLN 449 HE21 GLN 449 25.077 -3.554 -17.804
28 HE22 GLN 449 HE22 GLN 449 26.151 -2.678 -18.784
29 H PHE 450 HN PHE 450 19.522 -0.203 -15.789
30 HA PHE 450 HA PHE 450 20.604 1.794 -13.951
31 HB2 PHE 450 HB2 PHE 450 17.954 1.531 -15.383
32 HB3 PHE 450 HB1 PHE 450 18.308 2.818 -14.233
33 HD1 PHE 450 HD1 PHE 450 19.976 4.542 -14.733
34 HD2 PHE 450 HD2 PHE 450 19.074 1.426 -17.549
35 HE1 PHE 450 HE1 PHE 450 21.142 5.815 -16.513
36 HE2 PHE 450 HE2 PHE 450 20.241 2.698 -19.330
37 HZ PHE 450 HZ PHE 450 21.276 4.892 -18.812
38 H ILE 451 HN ILE 451 18.041 -0.656 -14.054
39 HA ILE 451 HA ILE 451 17.191 -0.190 -11.353
40 HB ILE 451 HB ILE 451 16.676 -2.435 -13.310
41 HG12 ILE 451 HG12 ILE 451 14.585 -0.596 -12.237
42 HG13 ILE 451 HG11 ILE 451 15.735 0.081 -13.391
43 HG21 ILE 451 HG21 ILE 451 14.714 -2.666 -11.453
44 HG22 ILE 451 HG22 ILE 451 16.048 -2.150 -10.423
45 HG23 ILE 451 HG23 ILE 451 16.203 -3.608 -11.403
46 HD11 ILE 451 HD11 ILE 451 15.138 -1.495 -15.072
47 HD12 ILE 451 HD12 ILE 451 13.608 -0.950 -14.383
48 HD13 ILE 451 HD13 ILE 451 14.279 -2.514 -13.917
49 H ILE 452 HN ILE 452 18.982 -2.840 -12.937
50 HA ILE 452 HA ILE 452 19.553 -4.339 -10.658
51 HB ILE 452 HB ILE 452 21.058 -3.966 -13.247
52 HG12 ILE 452 HG12 ILE 452 19.738 -6.476 -12.256
53 HG13 ILE 452 HG11 ILE 452 18.741 -5.184 -12.925
54 HG21 ILE 452 HG21 ILE 452 22.218 -6.140 -12.454
55 HG22 ILE 452 HG22 ILE 452 21.712 -5.657 -10.836
56 HG23 ILE 452 HG23 ILE 452 22.785 -4.615 -11.771
57 HD11 ILE 452 HD11 ILE 452 21.168 -5.968 -14.468
58 HD12 ILE 452 HD12 ILE 452 19.589 -5.436 -15.049
59 HD13 ILE 452 HD13 ILE 452 19.806 -7.090 -14.478
60 H ALA 453 HN ALA 453 20.537 -1.211 -11.377
61 HA ALA 453 HA ALA 453 23.075 -1.365 -9.943
62 HB1 ALA 453 HB1 ALA 453 23.276 1.016 -10.486
63 HB2 ALA 453 HB2 ALA 453 21.628 1.022 -11.118
64 HB3 ALA 453 HB3 ALA 453 22.883 0.086 -11.931
65 H TYR 454 HN TYR 454 19.922 0.255 -9.598
66 HA TYR 454 HA TYR 454 20.486 0.568 -6.708
67 HB2 TYR 454 HB2 TYR 454 18.497 2.295 -8.124
68 HB3 TYR 454 HB1 TYR 454 19.472 2.646 -6.696
69 HD1 TYR 454 HD2 TYR 454 22.183 1.931 -7.534
70 HD2 TYR 454 HD1 TYR 454 19.065 3.903 -9.738
71 HE1 TYR 454 HE2 TYR 454 23.884 3.025 -8.967
72 HE2 TYR 454 HE1 TYR 454 20.768 4.995 -11.171
73 HH TYR 454 HH TYR 454 23.630 4.071 -11.651
74 H GLY 455 HN GLY 455 17.600 0.720 -8.804
75 HA2 GLY 455 HA2 GLY 455 15.684 -0.103 -7.057
76 HA3 GLY 455 HA1 GLY 455 15.657 -0.548 -8.760
77 H GLY 456 HN GLY 456 18.203 -2.059 -8.472
78 HA2 GLY 456 HA2 GLY 456 17.399 -4.298 -6.747
79 HA3 GLY 456 HA1 GLY 456 17.632 -4.607 -8.466
80 H LEU 457 HN LEU 457 19.480 -2.417 -6.387
81 HA LEU 457 HA LEU 457 21.984 -2.904 -7.323
82 HB2 LEU 457 HB2 LEU 457 21.425 -1.239 -5.564
83 HB3 LEU 457 HB1 LEU 457 21.292 -2.550 -4.394
84 HG LEU 457 HG LEU 457 23.802 -2.596 -5.928
85 HD11 LEU 457 HD11 LEU 457 23.725 -0.217 -5.836
86 HD12 LEU 457 HD12 LEU 457 24.732 -0.702 -4.472
87 HD13 LEU 457 HD13 LEU 457 23.054 -0.228 -4.206
88 HD21 LEU 457 HD21 LEU 457 24.714 -2.963 -3.669
89 HD22 LEU 457 HD22 LEU 457 23.315 -4.003 -3.942
90 HD23 LEU 457 HD23 LEU 457 23.153 -2.545 -2.962
91 H ARG 458 HN ARG 458 20.004 -5.085 -5.547
92 HA ARG 458 HA ARG 458 21.645 -6.767 -4.196
93 HB2 ARG 458 HB2 ARG 458 19.272 -7.281 -5.947
94 HB3 ARG 458 HB1 ARG 458 20.159 -8.650 -5.277
95 HG2 ARG 458 HG2 ARG 458 18.302 -7.957 -3.790
96 HG3 ARG 458 HG1 ARG 458 19.870 -7.750 -3.009
97 HD2 ARG 458 HD2 ARG 458 19.860 -5.383 -3.445
98 HD3 ARG 458 HD1 ARG 458 18.441 -5.523 -4.479
99 HE ARG 458 HE ARG 458 17.104 -5.647 -2.562
100 HH11 ARG 458 HH21 ARG 458 20.475 -5.889 -1.816
101 HH12 ARG 458 HH22 ARG 458 20.252 -5.693 -0.110
102 HH21 ARG 458 HH11 ARG 458 16.805 -5.387 -0.326
103 HH22 ARG 458 HH12 ARG 458 18.174 -5.408 0.735
104 H GLY 459 HN GLY 459 21.721 -6.137 -7.588
105 HA2 GLY 459 HA2 GLY 459 22.907 -8.450 -8.606
106 HA3 GLY 459 HA1 GLY 459 23.164 -6.829 -9.245
107 H ALA 460 HN ALA 460 24.062 -6.492 -6.169
108 HA ALA 460 HA ALA 460 26.895 -6.858 -6.810
109 HB1 ALA 460 HB1 ALA 460 27.210 -5.593 -4.640
110 HB2 ALA 460 HB2 ALA 460 25.456 -5.416 -4.580
111 HB3 ALA 460 HB3 ALA 460 26.369 -4.705 -5.910
112 H ILE 461 HN ILE 461 24.385 -8.253 -4.890
113 HA ILE 461 HA ILE 461 26.257 -9.707 -3.185
114 HB ILE 461 HB ILE 461 23.269 -9.424 -3.299
115 HG12 ILE 461 HG12 ILE 461 23.618 -8.781 -0.944
116 HG13 ILE 461 HG11 ILE 461 25.340 -9.138 -1.096
117 HG21 ILE 461 HG21 ILE 461 23.385 -11.747 -2.956
118 HG22 ILE 461 HG22 ILE 461 23.376 -11.108 -1.312
119 HG23 ILE 461 HG23 ILE 461 24.892 -11.631 -2.046
120 HD11 ILE 461 HD11 ILE 461 25.728 -7.313 -2.510
121 HD12 ILE 461 HD12 ILE 461 24.529 -6.666 -1.390
122 HD13 ILE 461 HD13 ILE 461 24.036 -7.205 -2.994
123 H ALA 462 HN ALA 462 23.980 -10.301 -5.823
124 HA ALA 462 HA ALA 462 24.177 -13.122 -5.841
125 HB1 ALA 462 HB1 ALA 462 23.277 -11.032 -7.772
126 HB2 ALA 462 HB2 ALA 462 22.389 -12.402 -7.103
127 HB3 ALA 462 HB3 ALA 462 23.573 -12.659 -8.385
128 H PHE 463 HN PHE 463 26.184 -10.585 -7.175
129 HA PHE 463 HA PHE 463 27.749 -12.424 -8.791
130 HB2 PHE 463 HB2 PHE 463 28.081 -10.501 -9.900
131 HB3 PHE 463 HB1 PHE 463 27.432 -9.550 -8.564
132 HD1 PHE 463 HD1 PHE 463 30.495 -11.245 -9.830
133 HD2 PHE 463 HD2 PHE 463 28.868 -8.414 -7.040
134 HE1 PHE 463 HE1 PHE 463 32.789 -10.514 -9.232
135 HE2 PHE 463 HE2 PHE 463 31.160 -7.681 -6.444
136 HZ PHE 463 HZ PHE 463 33.122 -8.732 -7.539
137 H SER 464 HN SER 464 28.183 -10.497 -5.836
138 HA SER 464 HA SER 464 30.853 -11.143 -5.310
139 HB2 SER 464 HB2 SER 464 28.542 -10.449 -3.506
140 HB3 SER 464 HB1 SER 464 30.155 -10.760 -2.871
141 HG SER 464 HG SER 464 30.560 -9.163 -4.851
142 H LEU 465 HN LEU 465 28.014 -13.080 -5.123
143 HA LEU 465 HA LEU 465 29.080 -15.010 -3.257
144 HB2 LEU 465 HB2 LEU 465 26.558 -14.514 -4.597
145 HB3 LEU 465 HB1 LEU 465 27.006 -16.218 -4.692
146 HG LEU 465 HG LEU 465 27.366 -16.263 -2.252
147 HD11 LEU 465 HD11 LEU 465 27.797 -14.297 -1.235
148 HD12 LEU 465 HD12 LEU 465 26.081 -13.922 -1.386
149 HD13 LEU 465 HD13 LEU 465 27.212 -13.386 -2.628
150 HD21 LEU 465 HD21 LEU 465 24.776 -15.234 -1.913
151 HD22 LEU 465 HD22 LEU 465 25.200 -16.904 -2.290
152 HD23 LEU 465 HD23 LEU 465 24.832 -15.772 -3.592
153 H GLY 466 HN GLY 466 28.012 -15.426 -6.636
154 HA2 GLY 466 HA2 GLY 466 29.482 -17.794 -7.071
155 HA3 GLY 466 HA1 GLY 466 28.815 -16.761 -8.331
156 H TYR 467 HN TYR 467 30.709 -14.835 -6.441
157 HA TYR 467 HA TYR 467 32.782 -14.669 -8.433
158 HB2 TYR 467 HB2 TYR 467 32.254 -12.586 -7.533
159 HB3 TYR 467 HB1 TYR 467 32.139 -13.214 -5.889
160 HD1 TYR 467 HD1 TYR 467 34.486 -12.332 -8.621
161 HD2 TYR 467 HD2 TYR 467 34.075 -13.419 -4.486
162 HE1 TYR 467 HE1 TYR 467 36.864 -11.741 -8.229
163 HE2 TYR 467 HE2 TYR 467 36.451 -12.834 -4.094
164 HH TYR 467 HH TYR 467 38.168 -11.293 -5.192
165 H LEU 468 HN LEU 468 32.547 -15.761 -5.066
166 HA LEU 468 HA LEU 468 35.253 -16.253 -4.580
167 HB2 LEU 468 HB2 LEU 468 32.868 -17.809 -3.552
168 HB3 LEU 468 HB1 LEU 468 34.486 -17.815 -2.850
169 HG LEU 468 HG LEU 468 33.139 -15.175 -3.256
170 HD11 LEU 468 HD11 LEU 468 32.432 -17.216 -1.144
171 HD12 LEU 468 HD12 LEU 468 31.340 -16.340 -2.217
172 HD13 LEU 468 HD13 LEU 468 32.168 -15.487 -0.912
173 HD21 LEU 468 HD21 LEU 468 35.542 -15.798 -2.299
174 HD22 LEU 468 HD22 LEU 468 34.630 -16.056 -0.812
175 HD23 LEU 468 HD23 LEU 468 34.606 -14.479 -1.598
176 H LEU 469 HN LEU 469 32.769 -18.515 -5.797
177 HA LEU 469 HA LEU 469 34.493 -20.707 -6.164
178 HB2 LEU 469 HB2 LEU 469 32.592 -20.931 -8.188
179 HB3 LEU 469 HB1 LEU 469 32.470 -21.596 -6.560
180 HG LEU 469 HG LEU 469 31.639 -18.756 -7.192
181 HD11 LEU 469 HD11 LEU 469 29.301 -20.149 -6.918
182 HD12 LEU 469 HD12 LEU 469 30.290 -21.311 -7.802
183 HD13 LEU 469 HD13 LEU 469 30.012 -19.702 -8.469
184 HD21 LEU 469 HD21 LEU 469 30.297 -20.348 -5.104
185 HD22 LEU 469 HD22 LEU 469 30.939 -18.708 -5.023
186 HD23 LEU 469 HD23 LEU 469 32.015 -20.089 -4.806
187 H ASP 470 HN ASP 470 34.493 -17.735 -7.689
188 HA ASP 470 HA ASP 470 35.651 -18.793 -10.181
189 HB2 ASP 470 HB2 ASP 470 34.106 -16.429 -9.482
190 HB3 ASP 470 HB1 ASP 470 35.576 -16.016 -10.363
191 H LYS 471 HN LYS 471 36.353 -16.757 -7.385
192 HA LYS 471 HA LYS 471 39.018 -16.113 -8.320
193 HB2 LYS 471 HB2 LYS 471 39.186 -14.715 -6.467
194 HB3 LYS 471 HB1 LYS 471 37.460 -14.686 -6.808
195 HG2 LYS 471 HG2 LYS 471 37.325 -15.140 -4.569
196 HG3 LYS 471 HG1 LYS 471 37.506 -16.796 -5.130
197 HD2 LYS 471 HD2 LYS 471 39.191 -16.756 -3.552
198 HD3 LYS 471 HD1 LYS 471 40.112 -16.163 -4.932
199 HE2 LYS 471 HE2 LYS 471 38.988 -14.622 -2.615
200 HE3 LYS 471 HE1 LYS 471 40.610 -14.571 -3.303
201 HZ1 LYS 471 HZ1 LYS 471 38.778 -12.730 -3.793
202 HZ2 LYS 471 HZ2 LYS 471 38.428 -13.801 -5.065
203 HZ3 LYS 471 HZ3 LYS 471 39.986 -13.143 -4.910
204 H LYS 472 HN LYS 472 37.510 -18.584 -6.439
205 HA LYS 472 HA LYS 472 39.871 -19.438 -5.045
206 HB2 LYS 472 HB2 LYS 472 37.231 -20.813 -5.587
207 HB3 LYS 472 HB1 LYS 472 38.503 -21.479 -4.563
208 HG2 LYS 472 HG2 LYS 472 37.942 -18.719 -3.858
209 HG3 LYS 472 HG1 LYS 472 36.481 -19.702 -3.771
210 HD2 LYS 472 HD2 LYS 472 37.643 -21.335 -2.347
211 HD3 LYS 472 HD1 LYS 472 39.126 -20.385 -2.452
212 HE2 LYS 472 HE2 LYS 472 38.006 -19.846 -0.361
213 HE3 LYS 472 HE1 LYS 472 37.896 -18.453 -1.435
214 HZ1 LYS 472 HZ1 LYS 472 35.754 -18.741 -0.592
215 HZ2 LYS 472 HZ2 LYS 472 35.800 -20.429 -0.773
216 HZ3 LYS 472 HZ3 LYS 472 35.684 -19.428 -2.140
217 HN1 NH2 473 H1 NH2 473 40.798 -19.218 -7.606
218 HN2 NH2 473 H2 NH2 473 41.004 -20.747 -8.313
Start of MODEL 9
1 H1 ACE 446 HA2 ACE 446 20.455 -0.008 -21.036
2 H2 ACE 446 HA3 ACE 446 20.402 1.684 -21.533
3 H3 ACE 446 HA1 ACE 446 19.374 0.497 -22.335
4 H LYS 447 HN LYS 447 18.618 -0.896 -19.922
5 HA LYS 447 HA LYS 447 17.167 1.141 -18.376
6 HB2 LYS 447 HB2 LYS 447 15.736 0.289 -20.293
7 HB3 LYS 447 HB1 LYS 447 15.777 -1.290 -19.508
8 HG2 LYS 447 HG2 LYS 447 14.929 -0.143 -17.405
9 HG3 LYS 447 HG1 LYS 447 14.652 1.290 -18.398
10 HD2 LYS 447 HD2 LYS 447 12.599 0.346 -18.722
11 HD3 LYS 447 HD1 LYS 447 13.456 -0.604 -19.936
12 HE2 LYS 447 HE2 LYS 447 13.891 -2.356 -18.231
13 HE3 LYS 447 HE1 LYS 447 12.974 -1.416 -17.054
14 HZ1 LYS 447 HZ1 LYS 447 11.688 -2.002 -19.610
15 HZ2 LYS 447 HZ2 LYS 447 11.014 -1.888 -18.055
16 HZ3 LYS 447 HZ3 LYS 447 11.860 -3.288 -18.517
17 H ASP 448 HN ASP 448 17.377 -2.411 -18.731
18 HA ASP 448 HA ASP 448 16.968 -3.022 -16.028
19 HB2 ASP 448 HB2 ASP 448 18.384 -4.498 -18.245
20 HB3 ASP 448 HB1 ASP 448 18.199 -5.178 -16.630
21 H GLN 449 HN GLN 449 19.525 -1.384 -17.414
22 HA GLN 449 HA GLN 449 21.568 -2.366 -15.575
23 HB2 GLN 449 HB2 GLN 449 21.515 -0.476 -17.894
24 HB3 GLN 449 HB1 GLN 449 22.825 -0.355 -16.720
25 HG2 GLN 449 HG2 GLN 449 22.076 -3.036 -17.852
26 HG3 GLN 449 HG1 GLN 449 23.103 -1.947 -18.783
27 HE21 GLN 449 HE21 GLN 449 22.937 -3.885 -15.816
28 HE22 GLN 449 HE22 GLN 449 24.592 -3.778 -15.453
29 H PHE 450 HN PHE 450 19.125 -0.003 -15.642
30 HA PHE 450 HA PHE 450 20.472 1.795 -13.777
31 HB2 PHE 450 HB2 PHE 450 17.724 1.841 -15.038
32 HB3 PHE 450 HB1 PHE 450 18.303 3.055 -13.897
33 HD1 PHE 450 HD2 PHE 450 19.151 1.410 -17.147
34 HD2 PHE 450 HD1 PHE 450 19.615 4.866 -14.637
35 HE1 PHE 450 HE2 PHE 450 20.313 2.593 -18.991
36 HE2 PHE 450 HE1 PHE 450 20.777 6.048 -16.481
37 HZ PHE 450 HZ PHE 450 21.127 4.912 -18.658
38 H ILE 451 HN ILE 451 18.203 -0.830 -13.774
39 HA ILE 451 HA ILE 451 17.243 -0.277 -11.085
40 HB ILE 451 HB ILE 451 16.789 -2.592 -12.980
41 HG12 ILE 451 HG12 ILE 451 14.620 -0.793 -12.028
42 HG13 ILE 451 HG11 ILE 451 15.788 -0.082 -13.142
43 HG21 ILE 451 HG21 ILE 451 16.162 -2.206 -10.113
44 HG22 ILE 451 HG22 ILE 451 16.290 -3.697 -11.047
45 HG23 ILE 451 HG23 ILE 451 14.809 -2.741 -11.111
46 HD11 ILE 451 HD11 ILE 451 14.340 -2.693 -13.652
47 HD12 ILE 451 HD12 ILE 451 15.372 -1.818 -14.781
48 HD13 ILE 451 HD13 ILE 451 13.820 -1.136 -14.294
49 H ILE 452 HN ILE 452 19.102 -2.883 -12.669
50 HA ILE 452 HA ILE 452 19.762 -4.313 -10.357
51 HB ILE 452 HB ILE 452 20.141 -4.862 -12.888
52 HG12 ILE 452 HG12 ILE 452 21.901 -5.614 -10.554
53 HG13 ILE 452 HG11 ILE 452 20.602 -6.548 -11.295
54 HG21 ILE 452 HG21 ILE 452 21.768 -2.826 -12.979
55 HG22 ILE 452 HG22 ILE 452 22.241 -4.317 -13.793
56 HG23 ILE 452 HG23 ILE 452 22.922 -3.919 -12.215
57 HD11 ILE 452 HD11 ILE 452 22.111 -6.436 -13.440
58 HD12 ILE 452 HD12 ILE 452 22.501 -7.596 -12.170
59 HD13 ILE 452 HD13 ILE 452 23.401 -6.084 -12.289
60 H ALA 453 HN ALA 453 20.641 -1.190 -11.190
61 HA ALA 453 HA ALA 453 23.244 -1.250 -9.869
62 HB1 ALA 453 HB1 ALA 453 22.917 1.340 -10.325
63 HB2 ALA 453 HB2 ALA 453 21.697 0.753 -11.455
64 HB3 ALA 453 HB3 ALA 453 23.377 0.240 -11.625
65 H TYR 454 HN TYR 454 19.951 -0.155 -9.299
66 HA TYR 454 HA TYR 454 20.652 0.295 -6.477
67 HB2 TYR 454 HB2 TYR 454 18.814 2.177 -7.950
68 HB3 TYR 454 HB1 TYR 454 19.563 2.390 -6.366
69 HD1 TYR 454 HD2 TYR 454 22.161 2.447 -6.291
70 HD2 TYR 454 HD1 TYR 454 19.861 3.037 -9.869
71 HE1 TYR 454 HE2 TYR 454 24.105 3.559 -7.357
72 HE2 TYR 454 HE1 TYR 454 21.803 4.147 -10.937
73 HH TYR 454 HH TYR 454 24.934 4.374 -9.268
74 H GLY 455 HN GLY 455 17.759 0.670 -8.534
75 HA2 GLY 455 HA2 GLY 455 15.800 -0.093 -6.819
76 HA3 GLY 455 HA1 GLY 455 15.762 -0.512 -8.530
77 H GLY 456 HN GLY 456 18.235 -2.155 -8.228
78 HA2 GLY 456 HA2 GLY 456 16.919 -4.555 -7.133
79 HA3 GLY 456 HA1 GLY 456 18.217 -4.553 -8.324
80 H LEU 457 HN LEU 457 20.072 -2.893 -7.185
81 HA LEU 457 HA LEU 457 21.214 -4.597 -5.180
82 HB2 LEU 457 HB2 LEU 457 22.711 -3.557 -6.738
83 HB3 LEU 457 HB1 LEU 457 22.072 -1.955 -6.375
84 HG LEU 457 HG LEU 457 23.025 -1.988 -4.161
85 HD11 LEU 457 HD11 LEU 457 22.682 -4.199 -3.390
86 HD12 LEU 457 HD12 LEU 457 24.435 -4.070 -3.537
87 HD13 LEU 457 HD13 LEU 457 23.505 -4.902 -4.782
88 HD21 LEU 457 HD21 LEU 457 25.219 -1.718 -4.785
89 HD22 LEU 457 HD22 LEU 457 24.520 -1.864 -6.398
90 HD23 LEU 457 HD23 LEU 457 25.276 -3.262 -5.635
91 H ARG 458 HN ARG 458 20.574 -1.083 -5.098
92 HA ARG 458 HA ARG 458 19.772 0.270 -3.419
93 HB2 ARG 458 HB2 ARG 458 18.142 -1.794 -3.222
94 HB3 ARG 458 HB1 ARG 458 19.043 -2.095 -1.736
95 HG2 ARG 458 HG2 ARG 458 17.385 -0.685 -0.933
96 HG3 ARG 458 HG1 ARG 458 18.628 0.496 -1.350
97 HD2 ARG 458 HD2 ARG 458 17.446 0.415 -3.719
98 HD3 ARG 458 HD1 ARG 458 16.073 -0.148 -2.771
99 HE ARG 458 HE ARG 458 17.057 2.527 -2.879
100 HH11 ARG 458 HH21 ARG 458 15.737 0.126 -0.766
101 HH12 ARG 458 HH22 ARG 458 15.026 1.274 0.319
102 HH21 ARG 458 HH11 ARG 458 16.128 4.037 -1.462
103 HH22 ARG 458 HH12 ARG 458 15.247 3.488 -0.074
104 H GLY 459 HN GLY 459 22.437 -0.127 -3.461
105 HA2 GLY 459 HA2 GLY 459 23.791 -1.218 -1.342
106 HA3 GLY 459 HA1 GLY 459 24.272 0.288 -2.118
107 H ALA 460 HN ALA 460 21.506 1.343 -1.246
108 HA ALA 460 HA ALA 460 22.323 2.842 0.956
109 HB1 ALA 460 HB1 ALA 460 19.439 2.231 0.847
110 HB2 ALA 460 HB2 ALA 460 20.127 2.845 -0.657
111 HB3 ALA 460 HB3 ALA 460 20.265 3.789 0.827
112 H ILE 461 HN ILE 461 21.391 -0.435 0.804
113 HA ILE 461 HA ILE 461 20.649 -0.570 3.631
114 HB ILE 461 HB ILE 461 20.602 -2.506 1.337
115 HG12 ILE 461 HG12 ILE 461 18.258 -2.659 1.931
116 HG13 ILE 461 HG11 ILE 461 18.530 -1.751 3.418
117 HG21 ILE 461 HG21 ILE 461 21.493 -3.932 2.979
118 HG22 ILE 461 HG22 ILE 461 19.754 -4.138 3.185
119 HG23 ILE 461 HG23 ILE 461 20.655 -3.099 4.288
120 HD11 ILE 461 HD11 ILE 461 19.187 -0.577 0.715
121 HD12 ILE 461 HD12 ILE 461 18.946 0.266 2.246
122 HD13 ILE 461 HD13 ILE 461 17.570 -0.450 1.407
123 H ALA 462 HN ALA 462 23.034 -2.085 1.452
124 HA ALA 462 HA ALA 462 24.536 -3.424 3.373
125 HB1 ALA 462 HB1 ALA 462 26.394 -2.566 1.484
126 HB2 ALA 462 HB2 ALA 462 24.869 -2.616 0.602
127 HB3 ALA 462 HB3 ALA 462 25.459 -4.059 1.427
128 H PHE 463 HN PHE 463 24.784 -0.066 2.258
129 HA PHE 463 HA PHE 463 27.143 0.594 3.663
130 HB2 PHE 463 HB2 PHE 463 26.821 2.469 2.482
131 HB3 PHE 463 HB1 PHE 463 25.183 1.957 2.076
132 HD1 PHE 463 HD1 PHE 463 27.217 3.621 4.727
133 HD2 PHE 463 HD2 PHE 463 23.301 2.975 3.087
134 HE1 PHE 463 HE1 PHE 463 26.296 5.353 6.244
135 HE2 PHE 463 HE2 PHE 463 22.379 4.707 4.604
136 HZ PHE 463 HZ PHE 463 23.876 5.896 6.182
137 H SER 464 HN SER 464 23.732 0.643 4.576
138 HA SER 464 HA SER 464 24.131 1.927 7.094
139 HB2 SER 464 HB2 SER 464 21.806 0.461 7.347
140 HB3 SER 464 HB1 SER 464 21.918 2.105 6.726
141 HG SER 464 HG SER 464 22.556 0.176 4.889
142 H LEU 465 HN LEU 465 24.776 -1.201 5.947
143 HA LEU 465 HA LEU 465 24.481 -2.515 8.529
144 HB2 LEU 465 HB2 LEU 465 24.932 -3.338 5.745
145 HB3 LEU 465 HB1 LEU 465 25.867 -4.265 6.915
146 HG LEU 465 HG LEU 465 23.593 -5.231 6.434
147 HD11 LEU 465 HD11 LEU 465 24.865 -4.786 8.952
148 HD12 LEU 465 HD12 LEU 465 23.810 -6.119 8.486
149 HD13 LEU 465 HD13 LEU 465 23.123 -4.660 9.199
150 HD21 LEU 465 HD21 LEU 465 21.685 -4.018 6.684
151 HD22 LEU 465 HD22 LEU 465 22.756 -2.622 6.562
152 HD23 LEU 465 HD23 LEU 465 22.272 -3.225 8.146
153 H GLY 466 HN GLY 466 27.151 -1.827 6.263
154 HA2 GLY 466 HA2 GLY 466 29.167 -2.548 8.191
155 HA3 GLY 466 HA1 GLY 466 29.443 -1.828 6.608
156 H TYR 467 HN TYR 467 27.163 0.039 8.067
157 HA TYR 467 HA TYR 467 29.132 2.087 8.738
158 HB2 TYR 467 HB2 TYR 467 27.439 3.058 7.492
159 HB3 TYR 467 HB1 TYR 467 26.186 2.052 8.217
160 HD1 TYR 467 HD2 TYR 467 28.527 4.869 8.891
161 HD2 TYR 467 HD1 TYR 467 25.008 2.758 10.160
162 HE1 TYR 467 HE2 TYR 467 28.055 6.652 10.549
163 HE2 TYR 467 HE1 TYR 467 24.538 4.539 11.820
164 HH TYR 467 HH TYR 467 26.656 6.635 12.916
165 H LEU 468 HN LEU 468 26.514 0.265 10.287
166 HA LEU 468 HA LEU 468 26.516 1.543 12.772
167 HB2 LEU 468 HB2 LEU 468 26.010 -1.383 12.176
168 HB3 LEU 468 HB1 LEU 468 25.530 -0.534 13.645
169 HG LEU 468 HG LEU 468 24.679 0.605 11.011
170 HD11 LEU 468 HD11 LEU 468 22.610 -0.848 11.179
171 HD12 LEU 468 HD12 LEU 468 23.488 -1.834 12.349
172 HD13 LEU 468 HD13 LEU 468 24.077 -1.699 10.693
173 HD21 LEU 468 HD21 LEU 468 24.298 1.449 13.514
174 HD22 LEU 468 HD22 LEU 468 22.958 0.305 13.442
175 HD23 LEU 468 HD23 LEU 468 23.045 1.636 12.288
176 H LEU 469 HN LEU 469 27.879 -1.716 12.339
177 HA LEU 469 HA LEU 469 29.443 -1.789 14.593
178 HB2 LEU 469 HB2 LEU 469 30.750 -3.518 13.519
179 HB3 LEU 469 HB1 LEU 469 29.067 -3.694 13.022
180 HG LEU 469 HG LEU 469 30.080 -1.950 11.128
181 HD11 LEU 469 HD11 LEU 469 32.373 -2.353 11.963
182 HD12 LEU 469 HD12 LEU 469 32.168 -2.998 10.336
183 HD13 LEU 469 HD13 LEU 469 32.153 -4.087 11.723
184 HD21 LEU 469 HD21 LEU 469 28.616 -3.743 10.536
185 HD22 LEU 469 HD22 LEU 469 29.732 -4.957 11.163
186 HD23 LEU 469 HD23 LEU 469 30.127 -4.074 9.689
187 H ASP 470 HN ASP 470 29.838 0.262 11.923
188 HA ASP 470 HA ASP 470 32.694 0.700 12.442
189 HB2 ASP 470 HB2 ASP 470 31.957 0.514 10.095
190 HB3 ASP 470 HB1 ASP 470 30.884 1.892 10.328
191 H LYS 471 HN LYS 471 29.557 2.187 12.853
192 HA LYS 471 HA LYS 471 30.745 4.710 13.730
193 HB2 LYS 471 HB2 LYS 471 28.647 5.653 13.486
194 HB3 LYS 471 HB1 LYS 471 28.561 4.358 12.302
195 HG2 LYS 471 HG2 LYS 471 26.567 4.036 13.453
196 HG3 LYS 471 HG1 LYS 471 27.639 2.927 14.301
197 HD2 LYS 471 HD2 LYS 471 27.112 3.994 16.217
198 HD3 LYS 471 HD1 LYS 471 27.930 5.430 15.610
199 HE2 LYS 471 HE2 LYS 471 25.853 6.156 14.504
200 HE3 LYS 471 HE1 LYS 471 25.029 4.714 15.097
201 HZ1 LYS 471 HZ1 LYS 471 24.501 6.065 16.795
202 HZ2 LYS 471 HZ2 LYS 471 25.795 7.128 16.512
203 HZ3 LYS 471 HZ3 LYS 471 26.053 5.677 17.356
204 H LYS 472 HN LYS 472 29.373 1.800 15.028
205 HA LYS 472 HA LYS 472 28.650 2.708 17.596
206 HB2 LYS 472 HB2 LYS 472 29.568 0.011 16.589
207 HB3 LYS 472 HB1 LYS 472 29.025 0.278 18.243
208 HG2 LYS 472 HG2 LYS 472 27.376 0.945 15.784
209 HG3 LYS 472 HG1 LYS 472 27.215 -0.553 16.696
210 HD2 LYS 472 HD2 LYS 472 27.056 1.377 18.678
211 HD3 LYS 472 HD1 LYS 472 26.214 2.133 17.327
212 HE2 LYS 472 HE2 LYS 472 25.637 -0.607 18.488
213 HE3 LYS 472 HE1 LYS 472 24.626 0.829 18.647
214 HZ1 LYS 472 HZ1 LYS 472 24.235 0.848 16.314
215 HZ2 LYS 472 HZ2 LYS 472 23.913 -0.725 16.872
216 HZ3 LYS 472 HZ3 LYS 472 25.359 -0.393 16.046
217 HN1 NH2 473 H1 NH2 473 31.671 0.914 16.742
218 HN2 NH2 473 H2 NH2 473 32.609 1.649 17.950
Start of MODEL 10
1 H1 ACE 446 HA2 ACE 446 19.095 -0.209 -21.661
2 H2 ACE 446 HA3 ACE 446 20.197 0.871 -20.807
3 H3 ACE 446 HA1 ACE 446 19.029 1.530 -21.952
4 H LYS 447 HN LYS 447 18.299 -1.039 -19.672
5 HA LYS 447 HA LYS 447 16.741 0.842 -18.019
6 HB2 LYS 447 HB2 LYS 447 15.164 -0.170 -19.569
7 HB3 LYS 447 HB1 LYS 447 15.757 -1.781 -19.164
8 HG2 LYS 447 HG2 LYS 447 14.654 -1.834 -17.163
9 HG3 LYS 447 HG1 LYS 447 14.892 -0.110 -16.871
10 HD2 LYS 447 HD2 LYS 447 13.047 -1.034 -19.062
11 HD3 LYS 447 HD1 LYS 447 12.482 -0.968 -17.392
12 HE2 LYS 447 HE2 LYS 447 12.523 1.319 -17.323
13 HE3 LYS 447 HE1 LYS 447 13.940 1.427 -18.367
14 HZ1 LYS 447 HZ1 LYS 447 12.676 1.606 -20.174
15 HZ2 LYS 447 HZ2 LYS 447 11.384 1.929 -19.118
16 HZ3 LYS 447 HZ3 LYS 447 11.639 0.352 -19.697
17 H ASP 448 HN ASP 448 17.231 -2.687 -18.137
18 HA ASP 448 HA ASP 448 17.289 -3.150 -15.413
19 HB2 ASP 448 HB2 ASP 448 18.097 -5.268 -15.907
20 HB3 ASP 448 HB1 ASP 448 17.394 -4.793 -17.452
21 H GLN 449 HN GLN 449 19.703 -1.685 -17.412
22 HA GLN 449 HA GLN 449 21.956 -2.139 -15.729
23 HB2 GLN 449 HB2 GLN 449 21.339 -0.188 -17.935
24 HB3 GLN 449 HB1 GLN 449 22.829 -0.056 -17.000
25 HG2 GLN 449 HG2 GLN 449 22.167 -2.774 -17.980
26 HG3 GLN 449 HG1 GLN 449 22.598 -1.599 -19.221
27 HE21 GLN 449 HE21 GLN 449 23.942 -3.848 -17.112
28 HE22 GLN 449 HE22 GLN 449 25.521 -3.225 -17.044
29 H PHE 450 HN PHE 450 19.336 0.133 -15.701
30 HA PHE 450 HA PHE 450 20.659 1.868 -13.754
31 HB2 PHE 450 HB2 PHE 450 17.893 2.008 -14.976
32 HB3 PHE 450 HB1 PHE 450 18.610 3.227 -13.923
33 HD1 PHE 450 HD2 PHE 450 18.825 1.591 -17.235
34 HD2 PHE 450 HD1 PHE 450 20.324 4.731 -14.717
35 HE1 PHE 450 HE2 PHE 450 19.950 2.621 -19.191
36 HE2 PHE 450 HE1 PHE 450 21.449 5.762 -16.673
37 HZ PHE 450 HZ PHE 450 21.261 4.707 -18.909
38 H ILE 451 HN ILE 451 18.091 -0.527 -13.952
39 HA ILE 451 HA ILE 451 17.171 -0.114 -11.254
40 HB ILE 451 HB ILE 451 16.647 -2.195 -13.368
41 HG12 ILE 451 HG12 ILE 451 14.608 -0.538 -11.921
42 HG13 ILE 451 HG11 ILE 451 15.610 0.234 -13.149
43 HG21 ILE 451 HG21 ILE 451 16.535 -3.528 -11.427
44 HG22 ILE 451 HG22 ILE 451 14.873 -2.977 -11.637
45 HG23 ILE 451 HG23 ILE 451 15.913 -2.202 -10.443
46 HD11 ILE 451 HD11 ILE 451 13.421 -0.736 -14.001
47 HD12 ILE 451 HD12 ILE 451 14.087 -2.331 -13.649
48 HD13 ILE 451 HD13 ILE 451 14.868 -1.294 -14.842
49 H ILE 452 HN ILE 452 18.962 -2.744 -12.878
50 HA ILE 452 HA ILE 452 19.501 -4.267 -10.595
51 HB ILE 452 HB ILE 452 19.907 -4.788 -13.116
52 HG12 ILE 452 HG12 ILE 452 21.712 -5.615 -10.831
53 HG13 ILE 452 HG11 ILE 452 20.305 -6.471 -11.463
54 HG21 ILE 452 HG21 ILE 452 22.005 -4.259 -14.012
55 HG22 ILE 452 HG22 ILE 452 22.715 -3.956 -12.426
56 HG23 ILE 452 HG23 ILE 452 21.600 -2.786 -13.130
57 HD11 ILE 452 HD11 ILE 452 21.757 -6.359 -13.719
58 HD12 ILE 452 HD12 ILE 452 21.944 -7.667 -12.550
59 HD13 ILE 452 HD13 ILE 452 23.077 -6.316 -12.549
60 H ALA 453 HN ALA 453 20.678 -1.206 -11.491
61 HA ALA 453 HA ALA 453 23.180 -1.418 -10.021
62 HB1 ALA 453 HB1 ALA 453 21.801 0.781 -11.544
63 HB2 ALA 453 HB2 ALA 453 23.356 0.018 -11.873
64 HB3 ALA 453 HB3 ALA 453 23.187 1.123 -10.509
65 H TYR 454 HN TYR 454 19.903 -0.464 -9.464
66 HA TYR 454 HA TYR 454 20.530 0.065 -6.661
67 HB2 TYR 454 HB2 TYR 454 18.937 2.053 -8.292
68 HB3 TYR 454 HB1 TYR 454 19.398 2.191 -6.594
69 HD1 TYR 454 HD2 TYR 454 21.959 2.083 -6.073
70 HD2 TYR 454 HD1 TYR 454 20.325 2.966 -9.947
71 HE1 TYR 454 HE2 TYR 454 24.104 3.135 -6.739
72 HE2 TYR 454 HE1 TYR 454 22.470 4.018 -10.612
73 HH TYR 454 HH TYR 454 25.236 4.134 -8.359
74 H GLY 455 HN GLY 455 17.728 0.632 -8.794
75 HA2 GLY 455 HA2 GLY 455 15.738 -0.193 -7.072
76 HA3 GLY 455 HA1 GLY 455 15.627 -0.315 -8.824
77 H GLY 456 HN GLY 456 18.226 -2.115 -8.268
78 HA2 GLY 456 HA2 GLY 456 16.828 -4.543 -7.384
79 HA3 GLY 456 HA1 GLY 456 17.551 -4.539 -8.989
80 H LEU 457 HN LEU 457 18.842 -2.959 -6.109
81 HA LEU 457 HA LEU 457 20.924 -5.005 -5.853
82 HB2 LEU 457 HB2 LEU 457 21.966 -3.494 -7.395
83 HB3 LEU 457 HB1 LEU 457 21.436 -2.090 -6.471
84 HG LEU 457 HG LEU 457 22.909 -2.663 -4.632
85 HD11 LEU 457 HD11 LEU 457 24.489 -4.693 -5.068
86 HD12 LEU 457 HD12 LEU 457 23.237 -5.222 -6.190
87 HD13 LEU 457 HD13 LEU 457 22.858 -5.013 -4.480
88 HD21 LEU 457 HD21 LEU 457 24.907 -3.232 -6.661
89 HD22 LEU 457 HD22 LEU 457 24.671 -1.765 -5.712
90 HD23 LEU 457 HD23 LEU 457 23.779 -1.994 -7.216
91 H ARG 458 HN ARG 458 20.021 -1.757 -4.689
92 HA ARG 458 HA ARG 458 20.994 -2.216 -2.055
93 HB2 ARG 458 HB2 ARG 458 19.515 -0.144 -1.545
94 HB3 ARG 458 HB1 ARG 458 20.907 0.045 -2.606
95 HG2 ARG 458 HG2 ARG 458 18.895 1.176 -3.503
96 HG3 ARG 458 HG1 ARG 458 19.459 -0.096 -4.576
97 HD2 ARG 458 HD2 ARG 458 17.344 -0.648 -2.501
98 HD3 ARG 458 HD1 ARG 458 16.918 0.047 -4.058
99 HE ARG 458 HE ARG 458 18.484 -2.173 -4.621
100 HH11 ARG 458 HH21 ARG 458 15.524 -1.447 -2.986
101 HH12 ARG 458 HH22 ARG 458 14.793 -2.977 -3.339
102 HH21 ARG 458 HH11 ARG 458 17.534 -4.182 -5.086
103 HH22 ARG 458 HH12 ARG 458 15.931 -4.525 -4.528
104 H GLY 459 HN GLY 459 19.011 -4.173 -3.143
105 HA2 GLY 459 HA2 GLY 459 16.654 -3.834 -1.501
106 HA3 GLY 459 HA1 GLY 459 17.020 -5.202 -2.546
107 H ALA 460 HN ALA 460 19.733 -5.450 -1.319
108 HA ALA 460 HA ALA 460 18.883 -6.955 1.062
109 HB1 ALA 460 HB1 ALA 460 20.081 -8.493 -0.118
110 HB2 ALA 460 HB2 ALA 460 21.444 -7.719 0.688
111 HB3 ALA 460 HB3 ALA 460 21.024 -7.265 -0.962
112 H ILE 461 HN ILE 461 20.304 -4.041 0.225
113 HA ILE 461 HA ILE 461 22.070 -3.909 2.552
114 HB ILE 461 HB ILE 461 21.494 -2.032 0.263
115 HG12 ILE 461 HG12 ILE 461 23.908 -2.382 -0.160
116 HG13 ILE 461 HG11 ILE 461 23.996 -3.444 1.245
117 HG21 ILE 461 HG21 ILE 461 21.822 -0.449 1.922
118 HG22 ILE 461 HG22 ILE 461 23.497 -0.783 1.483
119 HG23 ILE 461 HG23 ILE 461 22.794 -1.537 2.913
120 HD11 ILE 461 HD11 ILE 461 22.754 -5.131 0.222
121 HD12 ILE 461 HD12 ILE 461 23.656 -4.483 -1.149
122 HD13 ILE 461 HD13 ILE 461 21.973 -4.014 -0.899
123 H ALA 462 HN ALA 462 19.374 -1.976 1.229
124 HA ALA 462 HA ALA 462 18.928 -0.334 3.413
125 HB1 ALA 462 HB1 ALA 462 17.424 -1.189 1.067
126 HB2 ALA 462 HB2 ALA 462 17.478 0.388 1.853
127 HB3 ALA 462 HB3 ALA 462 16.380 -0.857 2.449
128 H PHE 463 HN PHE 463 17.805 -3.640 2.852
129 HA PHE 463 HA PHE 463 16.075 -3.761 5.111
130 HB2 PHE 463 HB2 PHE 463 15.522 -5.645 4.031
131 HB3 PHE 463 HB1 PHE 463 16.961 -5.532 3.018
132 HD1 PHE 463 HD2 PHE 463 15.714 -6.700 6.330
133 HD2 PHE 463 HD1 PHE 463 18.856 -6.910 3.410
134 HE1 PHE 463 HE2 PHE 463 16.740 -8.587 7.569
135 HE2 PHE 463 HE1 PHE 463 19.882 -8.799 4.648
136 HZ PHE 463 HZ PHE 463 18.823 -9.637 6.729
137 H SER 464 HN SER 464 19.483 -4.523 4.588
138 HA SER 464 HA SER 464 19.930 -5.704 7.139
139 HB2 SER 464 HB2 SER 464 22.190 -5.761 6.543
140 HB3 SER 464 HB1 SER 464 21.379 -5.809 4.981
141 HG SER 464 HG SER 464 21.725 -3.588 4.792
142 H LEU 465 HN LEU 465 19.356 -2.516 6.172
143 HA LEU 465 HA LEU 465 20.914 -1.274 8.294
144 HB2 LEU 465 HB2 LEU 465 19.439 -0.381 5.913
145 HB3 LEU 465 HB1 LEU 465 19.246 0.682 7.305
146 HG LEU 465 HG LEU 465 21.207 1.266 5.840
147 HD11 LEU 465 HD11 LEU 465 22.729 0.617 8.176
148 HD12 LEU 465 HD12 LEU 465 21.091 1.027 8.684
149 HD13 LEU 465 HD13 LEU 465 22.030 2.172 7.725
150 HD21 LEU 465 HD21 LEU 465 21.620 -1.443 5.770
151 HD22 LEU 465 HD22 LEU 465 22.820 -0.937 6.961
152 HD23 LEU 465 HD23 LEU 465 22.837 -0.241 5.341
153 H GLY 466 HN GLY 466 17.473 -1.640 7.441
154 HA2 GLY 466 HA2 GLY 466 16.622 -0.601 10.013
155 HA3 GLY 466 HA1 GLY 466 15.578 -1.187 8.722
156 H TYR 467 HN TYR 467 17.910 -3.472 9.109
157 HA TYR 467 HA TYR 467 16.128 -5.353 10.313
158 HB2 TYR 467 HB2 TYR 467 17.544 -6.499 8.946
159 HB3 TYR 467 HB1 TYR 467 18.876 -5.374 9.208
160 HD1 TYR 467 HD2 TYR 467 16.884 -8.029 10.936
161 HD2 TYR 467 HD1 TYR 467 20.620 -5.926 10.683
162 HE1 TYR 467 HE2 TYR 467 17.870 -9.581 12.599
163 HE2 TYR 467 HE1 TYR 467 21.606 -7.478 12.348
164 HH TYR 467 HH TYR 467 21.264 -9.235 13.648
165 H LEU 468 HN LEU 468 18.850 -3.436 11.464
166 HA LEU 468 HA LEU 468 19.184 -4.749 13.953
167 HB2 LEU 468 HB2 LEU 468 19.814 -1.886 13.191
168 HB3 LEU 468 HB1 LEU 468 20.434 -2.736 14.609
169 HG LEU 468 HG LEU 468 20.989 -4.460 12.482
170 HD11 LEU 468 HD11 LEU 468 21.629 -1.590 11.732
171 HD12 LEU 468 HD12 LEU 468 20.487 -2.642 10.896
172 HD13 LEU 468 HD13 LEU 468 22.209 -3.022 10.882
173 HD21 LEU 468 HD21 LEU 468 22.770 -2.391 13.813
174 HD22 LEU 468 HD22 LEU 468 23.331 -3.825 12.954
175 HD23 LEU 468 HD23 LEU 468 22.412 -3.995 14.449
176 H LEU 469 HN LEU 469 18.058 -1.393 13.642
177 HA LEU 469 HA LEU 469 16.810 -1.163 16.069
178 HB2 LEU 469 HB2 LEU 469 15.520 0.658 15.137
179 HB3 LEU 469 HB1 LEU 469 17.125 0.681 14.408
180 HG LEU 469 HG LEU 469 15.731 -0.992 12.713
181 HD11 LEU 469 HD11 LEU 469 13.587 -0.053 12.274
182 HD12 LEU 469 HD12 LEU 469 13.908 1.348 13.296
183 HD13 LEU 469 HD13 LEU 469 13.655 -0.237 14.028
184 HD21 LEU 469 HD21 LEU 469 15.624 1.119 11.256
185 HD22 LEU 469 HD22 LEU 469 17.214 0.685 11.884
186 HD23 LEU 469 HD23 LEU 469 16.288 1.981 12.643
187 H ASP 470 HN ASP 470 15.862 -3.144 13.460
188 HA ASP 470 HA ASP 470 13.061 -3.298 14.203
189 HB2 ASP 470 HB2 ASP 470 13.423 -3.636 11.904
190 HB3 ASP 470 HB1 ASP 470 14.791 -4.711 12.186
191 H LYS 471 HN LYS 471 15.965 -5.314 14.491
192 HA LYS 471 HA LYS 471 14.473 -7.192 16.202
193 HB2 LYS 471 HB2 LYS 471 17.203 -7.415 14.909
194 HB3 LYS 471 HB1 LYS 471 16.463 -8.653 15.926
195 HG2 LYS 471 HG2 LYS 471 14.535 -7.900 13.968
196 HG3 LYS 471 HG1 LYS 471 16.060 -8.181 13.127
197 HD2 LYS 471 HD2 LYS 471 16.271 -10.374 14.256
198 HD3 LYS 471 HD1 LYS 471 14.728 -10.096 15.065
199 HE2 LYS 471 HE2 LYS 471 14.264 -11.458 13.138
200 HE3 LYS 471 HE1 LYS 471 13.689 -9.833 12.766
201 HZ1 LYS 471 HZ1 LYS 471 15.922 -9.461 11.713
202 HZ2 LYS 471 HZ2 LYS 471 14.906 -10.555 10.903
203 HZ3 LYS 471 HZ3 LYS 471 16.191 -11.129 11.854
204 H LYS 472 HN LYS 472 17.484 -5.293 16.131
205 HA LYS 472 HA LYS 472 17.984 -5.803 18.945
206 HB2 LYS 472 HB2 LYS 472 19.391 -4.037 16.929
207 HB3 LYS 472 HB1 LYS 472 19.937 -4.298 18.587
208 HG2 LYS 472 HG2 LYS 472 19.355 -6.774 17.095
209 HG3 LYS 472 HG1 LYS 472 20.702 -5.835 16.451
210 HD2 LYS 472 HD2 LYS 472 21.872 -5.901 18.527
211 HD3 LYS 472 HD1 LYS 472 20.450 -6.483 19.393
212 HE2 LYS 472 HE2 LYS 472 22.051 -8.321 18.979
213 HE3 LYS 472 HE1 LYS 472 20.531 -8.595 18.126
214 HZ1 LYS 472 HZ1 LYS 472 21.901 -8.912 16.391
215 HZ2 LYS 472 HZ2 LYS 472 23.173 -8.016 17.073
216 HZ3 LYS 472 HZ3 LYS 472 21.888 -7.218 16.300
217 HN1 NH2 473 H1 NH2 473 18.895 -2.634 18.382
218 HN2 NH2 473 H2 NH2 473 17.577 -1.848 19.109
Start of MODEL 11
1 H1 ACE 446 HA2 ACE 446 18.284 1.237 -21.700
2 H2 ACE 446 HA3 ACE 446 19.704 1.163 -20.657
3 H3 ACE 446 HA1 ACE 446 19.037 2.725 -21.130
4 H LYS 447 HN LYS 447 18.037 -0.300 -19.516
5 HA LYS 447 HA LYS 447 16.822 1.284 -17.371
6 HB2 LYS 447 HB2 LYS 447 15.343 -0.339 -19.351
7 HB3 LYS 447 HB1 LYS 447 14.892 -0.597 -17.666
8 HG2 LYS 447 HG2 LYS 447 14.287 1.663 -17.355
9 HG3 LYS 447 HG1 LYS 447 15.173 2.188 -18.787
10 HD2 LYS 447 HD2 LYS 447 12.733 2.158 -19.200
11 HD3 LYS 447 HD1 LYS 447 13.573 0.998 -20.229
12 HE2 LYS 447 HE2 LYS 447 12.706 -0.824 -19.123
13 HE3 LYS 447 HE1 LYS 447 12.624 0.021 -17.577
14 HZ1 LYS 447 HZ1 LYS 447 10.481 0.331 -17.980
15 HZ2 LYS 447 HZ2 LYS 447 10.617 -0.283 -19.558
16 HZ3 LYS 447 HZ3 LYS 447 10.904 1.363 -19.257
17 H ASP 448 HN ASP 448 17.482 -1.974 -18.637
18 HA ASP 448 HA ASP 448 17.318 -3.358 -16.195
19 HB2 ASP 448 HB2 ASP 448 18.818 -3.892 -18.755
20 HB3 ASP 448 HB1 ASP 448 18.900 -4.994 -17.381
21 H GLN 449 HN GLN 449 20.038 -1.724 -17.777
22 HA GLN 449 HA GLN 449 21.982 -2.514 -15.838
23 HB2 GLN 449 HB2 GLN 449 21.924 -0.338 -17.931
24 HB3 GLN 449 HB1 GLN 449 23.310 -0.609 -16.874
25 HG2 GLN 449 HG2 GLN 449 22.306 -3.075 -18.100
26 HG3 GLN 449 HG1 GLN 449 22.863 -1.893 -19.284
27 HE21 GLN 449 HE21 GLN 449 25.014 -2.297 -19.792
28 HE22 GLN 449 HE22 GLN 449 26.206 -2.768 -18.679
29 H PHE 450 HN PHE 450 19.454 -0.244 -15.800
30 HA PHE 450 HA PHE 450 20.742 1.505 -13.843
31 HB2 PHE 450 HB2 PHE 450 18.030 1.548 -15.173
32 HB3 PHE 450 HB1 PHE 450 18.511 2.692 -13.921
33 HD1 PHE 450 HD1 PHE 450 19.158 1.526 -17.364
34 HD2 PHE 450 HD2 PHE 450 20.167 4.411 -14.347
35 HE1 PHE 450 HE1 PHE 450 20.341 2.890 -19.065
36 HE2 PHE 450 HE2 PHE 450 21.350 5.776 -16.047
37 HZ PHE 450 HZ PHE 450 21.436 5.015 -18.406
38 H ILE 451 HN ILE 451 17.851 -0.570 -14.045
39 HA ILE 451 HA ILE 451 16.949 -0.363 -11.445
40 HB ILE 451 HB ILE 451 16.971 -2.784 -13.260
41 HG12 ILE 451 HG12 ILE 451 14.527 -1.196 -12.655
42 HG13 ILE 451 HG11 ILE 451 15.735 -0.414 -13.675
43 HG21 ILE 451 HG21 ILE 451 16.347 -3.872 -11.361
44 HG22 ILE 451 HG22 ILE 451 14.805 -3.050 -11.605
45 HG23 ILE 451 HG23 ILE 451 16.003 -2.370 -10.503
46 HD11 ILE 451 HD11 ILE 451 13.894 -1.897 -14.801
47 HD12 ILE 451 HD12 ILE 451 14.892 -3.243 -14.250
48 HD13 ILE 451 HD13 ILE 451 15.564 -2.040 -15.351
49 H ILE 452 HN ILE 452 19.020 -3.032 -12.622
50 HA ILE 452 HA ILE 452 19.641 -4.161 -10.186
51 HB ILE 452 HB ILE 452 21.674 -5.026 -11.239
52 HG12 ILE 452 HG12 ILE 452 21.091 -2.854 -13.268
53 HG13 ILE 452 HG11 ILE 452 22.555 -3.063 -12.307
54 HG21 ILE 452 HG21 ILE 452 19.813 -4.955 -13.556
55 HG22 ILE 452 HG22 ILE 452 19.141 -5.528 -12.030
56 HG23 ILE 452 HG23 ILE 452 20.538 -6.338 -12.737
57 HD11 ILE 452 HD11 ILE 452 22.665 -5.405 -13.489
58 HD12 ILE 452 HD12 ILE 452 23.205 -3.968 -14.359
59 HD13 ILE 452 HD13 ILE 452 21.609 -4.644 -14.680
60 H ALA 453 HN ALA 453 21.085 -1.339 -11.742
61 HA ALA 453 HA ALA 453 23.266 -0.905 -10.067
62 HB1 ALA 453 HB1 ALA 453 23.431 1.094 -11.128
63 HB2 ALA 453 HB2 ALA 453 21.751 1.517 -10.796
64 HB3 ALA 453 HB3 ALA 453 22.142 0.456 -12.149
65 H TYR 454 HN TYR 454 19.857 -0.405 -9.543
66 HA TYR 454 HA TYR 454 20.420 0.712 -6.864
67 HB2 TYR 454 HB2 TYR 454 17.784 0.805 -8.325
68 HB3 TYR 454 HB1 TYR 454 18.287 1.756 -6.926
69 HD1 TYR 454 HD1 TYR 454 20.731 2.957 -7.405
70 HD2 TYR 454 HD2 TYR 454 17.731 2.000 -10.329
71 HE1 TYR 454 HE1 TYR 454 21.639 4.703 -8.908
72 HE2 TYR 454 HE2 TYR 454 18.640 3.749 -11.830
73 HH TYR 454 HH TYR 454 21.610 5.490 -11.039
74 H GLY 455 HN GLY 455 20.313 -2.156 -7.921
75 HA2 GLY 455 HA2 GLY 455 19.358 -4.195 -7.354
76 HA3 GLY 455 HA1 GLY 455 19.537 -3.541 -5.729
77 H GLY 456 HN GLY 456 17.395 -2.348 -8.278
78 HA2 GLY 456 HA2 GLY 456 15.116 -2.082 -8.355
79 HA3 GLY 456 HA1 GLY 456 15.025 -3.611 -7.488
80 H LEU 457 HN LEU 457 16.077 -0.274 -6.742
81 HA LEU 457 HA LEU 457 15.671 -0.202 -4.053
82 HB2 LEU 457 HB2 LEU 457 15.152 2.199 -4.280
83 HB3 LEU 457 HB1 LEU 457 16.493 1.726 -5.319
84 HG LEU 457 HG LEU 457 14.373 1.288 -6.987
85 HD11 LEU 457 HD11 LEU 457 12.698 2.905 -6.740
86 HD12 LEU 457 HD12 LEU 457 13.697 3.921 -5.700
87 HD13 LEU 457 HD13 LEU 457 12.990 2.438 -5.067
88 HD21 LEU 457 HD21 LEU 457 16.140 3.689 -6.528
89 HD22 LEU 457 HD22 LEU 457 14.956 3.679 -7.834
90 HD23 LEU 457 HD23 LEU 457 16.238 2.473 -7.801
91 H ARG 458 HN ARG 458 13.226 -0.054 -6.569
92 HA ARG 458 HA ARG 458 10.899 0.200 -6.388
93 HB2 ARG 458 HB2 ARG 458 11.885 -2.358 -5.245
94 HB3 ARG 458 HB1 ARG 458 10.180 -1.991 -4.992
95 HG2 ARG 458 HG2 ARG 458 10.467 -3.252 -7.073
96 HG3 ARG 458 HG1 ARG 458 9.913 -1.619 -7.434
97 HD2 ARG 458 HD2 ARG 458 12.188 -0.927 -7.978
98 HD3 ARG 458 HD1 ARG 458 12.812 -2.501 -7.496
99 HE ARG 458 HE ARG 458 12.153 -3.324 -9.558
100 HH11 ARG 458 HH21 ARG 458 10.532 -0.352 -8.844
101 HH12 ARG 458 HH22 ARG 458 9.786 -0.224 -10.402
102 HH21 ARG 458 HH11 ARG 458 11.176 -3.164 -11.602
103 HH22 ARG 458 HH12 ARG 458 10.151 -1.816 -11.963
104 H GLY 459 HN GLY 459 11.242 2.158 -4.945
105 HA2 GLY 459 HA2 GLY 459 9.859 1.677 -2.379
106 HA3 GLY 459 HA1 GLY 459 11.260 2.742 -2.458
107 H ALA 460 HN ALA 460 9.311 2.782 -5.249
108 HA ALA 460 HA ALA 460 7.804 5.137 -4.308
109 HB1 ALA 460 HB1 ALA 460 8.292 5.986 -6.757
110 HB2 ALA 460 HB2 ALA 460 9.711 4.949 -6.604
111 HB3 ALA 460 HB3 ALA 460 9.457 6.270 -5.464
112 H ILE 461 HN ILE 461 8.229 3.310 -7.343
113 HA ILE 461 HA ILE 461 5.619 3.537 -8.258
114 HB ILE 461 HB ILE 461 7.779 1.499 -8.693
115 HG12 ILE 461 HG12 ILE 461 7.671 2.431 -10.976
116 HG13 ILE 461 HG11 ILE 461 6.317 3.454 -10.498
117 HG21 ILE 461 HG21 ILE 461 4.891 1.363 -9.543
118 HG22 ILE 461 HG22 ILE 461 5.919 0.077 -8.907
119 HG23 ILE 461 HG23 ILE 461 6.157 0.664 -10.553
120 HD11 ILE 461 HD11 ILE 461 8.979 3.547 -9.072
121 HD12 ILE 461 HD12 ILE 461 7.668 4.725 -9.004
122 HD13 ILE 461 HD13 ILE 461 8.629 4.557 -10.473
123 H ALA 462 HN ALA 462 7.046 1.048 -6.167
124 HA ALA 462 HA ALA 462 4.997 -0.761 -5.958
125 HB1 ALA 462 HB1 ALA 462 7.334 -0.499 -4.688
126 HB2 ALA 462 HB2 ALA 462 6.049 -1.539 -4.074
127 HB3 ALA 462 HB3 ALA 462 6.273 0.077 -3.402
128 H PHE 463 HN PHE 463 5.191 2.444 -4.547
129 HA PHE 463 HA PHE 463 2.705 2.063 -3.058
130 HB2 PHE 463 HB2 PHE 463 3.746 3.521 -1.709
131 HB3 PHE 463 HB1 PHE 463 4.963 3.878 -2.935
132 HD1 PHE 463 HD2 PHE 463 1.532 4.720 -1.771
133 HD2 PHE 463 HD1 PHE 463 4.830 5.840 -4.286
134 HE1 PHE 463 HE2 PHE 463 0.461 6.915 -2.199
135 HE2 PHE 463 HE1 PHE 463 3.758 8.036 -4.714
136 HZ PHE 463 HZ PHE 463 1.573 8.574 -3.670
137 H SER 464 HN SER 464 3.865 3.491 -6.012
138 HA SER 464 HA SER 464 1.717 5.263 -6.513
139 HB2 SER 464 HB2 SER 464 2.574 5.437 -8.709
140 HB3 SER 464 HB1 SER 464 3.985 5.130 -7.702
141 HG SER 464 HG SER 464 2.618 3.424 -9.468
142 H LEU 465 HN LEU 465 2.183 1.825 -7.115
143 HA LEU 465 HA LEU 465 -0.338 1.639 -8.577
144 HB2 LEU 465 HB2 LEU 465 0.253 -0.669 -8.956
145 HB3 LEU 465 HB1 LEU 465 1.681 0.319 -9.259
146 HG LEU 465 HG LEU 465 1.899 -0.210 -6.561
147 HD11 LEU 465 HD11 LEU 465 1.386 -2.498 -6.161
148 HD12 LEU 465 HD12 LEU 465 1.100 -2.814 -7.872
149 HD13 LEU 465 HD13 LEU 465 -0.050 -1.848 -6.951
150 HD21 LEU 465 HD21 LEU 465 3.579 -1.974 -7.380
151 HD22 LEU 465 HD22 LEU 465 3.785 -0.342 -8.013
152 HD23 LEU 465 HD23 LEU 465 3.027 -1.585 -9.008
153 H GLY 466 HN GLY 466 0.905 1.181 -5.383
154 HA2 GLY 466 HA2 GLY 466 -1.368 -0.433 -4.520
155 HA3 GLY 466 HA1 GLY 466 -0.005 0.068 -3.525
156 H TYR 467 HN TYR 467 -0.928 2.752 -5.171
157 HA TYR 467 HA TYR 467 -2.358 3.805 -2.848
158 HB2 TYR 467 HB2 TYR 467 -0.810 5.389 -3.455
159 HB3 TYR 467 HB1 TYR 467 -0.891 4.970 -5.166
160 HD1 TYR 467 HD2 TYR 467 -2.951 6.463 -2.417
161 HD2 TYR 467 HD1 TYR 467 -2.151 6.296 -6.633
162 HE1 TYR 467 HE2 TYR 467 -4.557 8.314 -2.795
163 HE2 TYR 467 HE1 TYR 467 -3.758 8.147 -7.011
164 HH TYR 467 HH TYR 467 -4.896 10.116 -4.578
165 H LEU 468 HN LEU 468 -2.851 3.226 -6.300
166 HA LEU 468 HA LEU 468 -5.372 4.492 -6.515
167 HB2 LEU 468 HB2 LEU 468 -4.256 2.177 -8.119
168 HB3 LEU 468 HB1 LEU 468 -5.616 3.198 -8.587
169 HG LEU 468 HG LEU 468 -3.029 4.534 -7.897
170 HD11 LEU 468 HD11 LEU 468 -2.206 2.829 -9.357
171 HD12 LEU 468 HD12 LEU 468 -2.396 4.277 -10.348
172 HD13 LEU 468 HD13 LEU 468 -3.596 2.986 -10.432
173 HD21 LEU 468 HD21 LEU 468 -5.385 5.531 -8.620
174 HD22 LEU 468 HD22 LEU 468 -4.788 5.160 -10.238
175 HD23 LEU 468 HD23 LEU 468 -3.882 6.256 -9.195
176 H LEU 469 HN LEU 469 -4.940 0.988 -6.878
177 HA LEU 469 HA LEU 469 -7.501 0.206 -6.297
178 HB2 LEU 469 HB2 LEU 469 -6.559 -1.979 -5.645
179 HB3 LEU 469 HB1 LEU 469 -5.788 -1.349 -7.100
180 HG LEU 469 HG LEU 469 -4.233 -0.277 -5.085
181 HD11 LEU 469 HD11 LEU 469 -4.837 -3.156 -4.357
182 HD12 LEU 469 HD12 LEU 469 -5.485 -1.770 -3.480
183 HD13 LEU 469 HD13 LEU 469 -3.746 -2.052 -3.520
184 HD21 LEU 469 HD21 LEU 469 -3.871 -2.893 -6.583
185 HD22 LEU 469 HD22 LEU 469 -2.578 -1.981 -5.806
186 HD23 LEU 469 HD23 LEU 469 -3.437 -1.292 -7.183
187 H ASP 470 HN ASP 470 -5.254 1.608 -4.153
188 HA ASP 470 HA ASP 470 -6.366 0.488 -1.728
189 HB2 ASP 470 HB2 ASP 470 -4.161 1.078 -1.379
190 HB3 ASP 470 HB1 ASP 470 -4.272 2.513 -2.396
191 H LYS 471 HN LYS 471 -6.677 3.460 -3.602
192 HA LYS 471 HA LYS 471 -8.689 4.458 -1.691
193 HB2 LYS 471 HB2 LYS 471 -7.257 5.855 -3.965
194 HB3 LYS 471 HB1 LYS 471 -8.442 6.607 -2.895
195 HG2 LYS 471 HG2 LYS 471 -6.559 5.316 -1.218
196 HG3 LYS 471 HG1 LYS 471 -5.628 6.179 -2.444
197 HD2 LYS 471 HD2 LYS 471 -6.849 8.249 -1.952
198 HD3 LYS 471 HD1 LYS 471 -7.840 7.398 -0.764
199 HE2 LYS 471 HE2 LYS 471 -6.143 7.289 0.784
200 HE3 LYS 471 HE1 LYS 471 -4.884 7.195 -0.448
201 HZ1 LYS 471 HZ1 LYS 471 -4.977 9.481 -0.819
202 HZ2 LYS 471 HZ2 LYS 471 -5.068 9.339 0.871
203 HZ3 LYS 471 HZ3 LYS 471 -6.471 9.655 -0.035
204 H LYS 472 HN LYS 472 -8.185 4.111 -5.209
205 HA LYS 472 HA LYS 472 -11.033 4.398 -5.709
206 HB2 LYS 472 HB2 LYS 472 -8.653 3.922 -7.509
207 HB3 LYS 472 HB1 LYS 472 -10.313 3.988 -8.102
208 HG2 LYS 472 HG2 LYS 472 -9.450 6.214 -6.328
209 HG3 LYS 472 HG1 LYS 472 -8.745 6.174 -7.946
210 HD2 LYS 472 HD2 LYS 472 -10.875 6.282 -8.996
211 HD3 LYS 472 HD1 LYS 472 -11.718 5.887 -7.497
212 HE2 LYS 472 HE2 LYS 472 -10.015 8.279 -7.304
213 HE3 LYS 472 HE1 LYS 472 -11.343 8.438 -8.455
214 HZ1 LYS 472 HZ1 LYS 472 -11.590 8.835 -5.827
215 HZ2 LYS 472 HZ2 LYS 472 -12.030 7.197 -5.930
216 HZ3 LYS 472 HZ3 LYS 472 -12.872 8.364 -6.833
217 HN1 NH2 473 H1 NH2 473 -8.906 1.897 -7.145
218 HN2 NH2 473 H2 NH2 473 -9.928 0.597 -6.764
Start of MODEL 12
1 H1 ACE 446 HA2 ACE 446 19.819 -0.377 -21.395
2 H2 ACE 446 HA3 ACE 446 21.117 0.336 -20.437
3 H3 ACE 446 HA1 ACE 446 20.167 1.348 -21.526
4 H LYS 447 HN LYS 447 17.826 -0.493 -20.517
5 HA LYS 447 HA LYS 447 17.071 1.312 -18.341
6 HB2 LYS 447 HB2 LYS 447 15.579 0.643 -20.363
7 HB3 LYS 447 HB1 LYS 447 15.318 -0.855 -19.466
8 HG2 LYS 447 HG2 LYS 447 14.830 0.776 -17.457
9 HG3 LYS 447 HG1 LYS 447 14.524 1.947 -18.740
10 HD2 LYS 447 HD2 LYS 447 12.409 1.038 -18.563
11 HD3 LYS 447 HD1 LYS 447 13.101 -0.081 -19.739
12 HE2 LYS 447 HE2 LYS 447 13.747 -1.598 -17.873
13 HE3 LYS 447 HE1 LYS 447 12.957 -0.502 -16.739
14 HZ1 LYS 447 HZ1 LYS 447 10.871 -0.874 -17.788
15 HZ2 LYS 447 HZ2 LYS 447 11.557 -2.396 -17.472
16 HZ3 LYS 447 HZ3 LYS 447 11.582 -1.759 -19.047
17 H ASP 448 HN ASP 448 17.695 -2.101 -18.959
18 HA ASP 448 HA ASP 448 16.921 -2.929 -16.301
19 HB2 ASP 448 HB2 ASP 448 17.928 -4.232 -18.763
20 HB3 ASP 448 HB1 ASP 448 18.339 -5.023 -17.242
21 H GLN 449 HN GLN 449 19.612 -1.409 -17.620
22 HA GLN 449 HA GLN 449 21.547 -2.608 -15.790
23 HB2 GLN 449 HB2 GLN 449 21.770 -0.448 -17.895
24 HB3 GLN 449 HB1 GLN 449 23.111 -0.942 -16.861
25 HG2 GLN 449 HG2 GLN 449 23.223 -2.159 -18.978
26 HG3 GLN 449 HG1 GLN 449 22.837 -3.278 -17.670
27 HE21 GLN 449 HE21 GLN 449 21.253 -4.729 -18.322
28 HE22 GLN 449 HE22 GLN 449 19.940 -4.352 -19.331
29 H PHE 450 HN PHE 450 19.298 -0.065 -15.807
30 HA PHE 450 HA PHE 450 20.774 1.587 -13.904
31 HB2 PHE 450 HB2 PHE 450 19.550 3.182 -14.896
32 HB3 PHE 450 HB1 PHE 450 18.570 1.976 -15.728
33 HD1 PHE 450 HD2 PHE 450 18.994 3.717 -12.450
34 HD2 PHE 450 HD1 PHE 450 16.353 1.531 -15.039
35 HE1 PHE 450 HE2 PHE 450 17.096 4.211 -10.932
36 HE2 PHE 450 HE1 PHE 450 14.455 2.026 -13.522
37 HZ PHE 450 HZ PHE 450 14.827 3.366 -11.467
38 H ILE 451 HN ILE 451 18.368 -0.896 -13.945
39 HA ILE 451 HA ILE 451 17.290 -0.319 -11.333
40 HB ILE 451 HB ILE 451 17.008 -2.566 -13.305
41 HG12 ILE 451 HG12 ILE 451 14.752 -1.184 -11.925
42 HG13 ILE 451 HG11 ILE 451 15.693 -0.232 -13.076
43 HG21 ILE 451 HG21 ILE 451 17.046 -3.843 -11.331
44 HG22 ILE 451 HG22 ILE 451 15.334 -3.470 -11.525
45 HG23 ILE 451 HG23 ILE 451 16.310 -2.557 -10.375
46 HD11 ILE 451 HD11 ILE 451 14.536 -2.955 -13.725
47 HD12 ILE 451 HD12 ILE 451 15.256 -1.802 -14.849
48 HD13 ILE 451 HD13 ILE 451 13.709 -1.439 -14.084
49 H ILE 452 HN ILE 452 19.414 -2.861 -12.661
50 HA ILE 452 HA ILE 452 19.973 -4.259 -10.347
51 HB ILE 452 HB ILE 452 20.761 -4.789 -12.694
52 HG12 ILE 452 HG12 ILE 452 22.766 -4.861 -10.415
53 HG13 ILE 452 HG11 ILE 452 21.543 -6.083 -10.772
54 HG21 ILE 452 HG21 ILE 452 23.198 -3.161 -12.039
55 HG22 ILE 452 HG22 ILE 452 21.813 -2.373 -12.797
56 HG23 ILE 452 HG23 ILE 452 22.616 -3.717 -13.609
57 HD11 ILE 452 HD11 ILE 452 22.815 -5.900 -13.183
58 HD12 ILE 452 HD12 ILE 452 23.216 -7.086 -11.942
59 HD13 ILE 452 HD13 ILE 452 24.150 -5.596 -12.072
60 H ALA 453 HN ALA 453 21.145 -1.124 -11.357
61 HA ALA 453 HA ALA 453 23.333 -0.900 -9.575
62 HB1 ALA 453 HB1 ALA 453 22.817 0.596 -11.559
63 HB2 ALA 453 HB2 ALA 453 23.307 1.430 -10.085
64 HB3 ALA 453 HB3 ALA 453 21.605 1.380 -10.545
65 H TYR 454 HN TYR 454 19.933 0.110 -9.298
66 HA TYR 454 HA TYR 454 20.312 0.989 -6.556
67 HB2 TYR 454 HB2 TYR 454 17.985 0.901 -8.459
68 HB3 TYR 454 HB1 TYR 454 17.728 1.203 -6.740
69 HD1 TYR 454 HD2 TYR 454 19.494 2.423 -9.778
70 HD2 TYR 454 HD1 TYR 454 18.294 3.301 -5.748
71 HE1 TYR 454 HE2 TYR 454 20.166 4.790 -10.092
72 HE2 TYR 454 HE1 TYR 454 18.965 5.667 -6.063
73 HH TYR 454 HH TYR 454 20.914 6.774 -8.052
74 H GLY 455 HN GLY 455 20.455 -1.947 -7.668
75 HA2 GLY 455 HA2 GLY 455 19.770 -4.061 -7.006
76 HA3 GLY 455 HA1 GLY 455 19.973 -3.368 -5.399
77 H GLY 456 HN GLY 456 17.608 -3.378 -8.071
78 HA2 GLY 456 HA2 GLY 456 15.310 -3.440 -8.072
79 HA3 GLY 456 HA1 GLY 456 15.479 -4.468 -6.653
80 H LEU 457 HN LEU 457 16.946 -1.457 -6.229
81 HA LEU 457 HA LEU 457 16.452 0.377 -4.952
82 HB2 LEU 457 HB2 LEU 457 14.700 0.667 -6.744
83 HB3 LEU 457 HB1 LEU 457 13.562 -0.157 -5.682
84 HG LEU 457 HG LEU 457 14.885 1.880 -4.161
85 HD11 LEU 457 HD11 LEU 457 13.602 2.871 -6.723
86 HD12 LEU 457 HD12 LEU 457 15.332 2.907 -6.386
87 HD13 LEU 457 HD13 LEU 457 14.224 3.871 -5.411
88 HD21 LEU 457 HD21 LEU 457 12.594 2.647 -3.828
89 HD22 LEU 457 HD22 LEU 457 12.607 0.883 -3.814
90 HD23 LEU 457 HD23 LEU 457 12.055 1.750 -5.246
91 H ARG 458 HN ARG 458 16.102 -2.546 -3.988
92 HA ARG 458 HA ARG 458 14.304 -2.192 -1.719
93 HB2 ARG 458 HB2 ARG 458 15.713 -4.450 -3.015
94 HB3 ARG 458 HB1 ARG 458 15.519 -4.575 -1.268
95 HG2 ARG 458 HG2 ARG 458 13.601 -5.603 -2.374
96 HG3 ARG 458 HG1 ARG 458 13.075 -4.141 -1.543
97 HD2 ARG 458 HD2 ARG 458 13.228 -2.886 -3.669
98 HD3 ARG 458 HD1 ARG 458 13.738 -4.356 -4.495
99 HE ARG 458 HE ARG 458 11.531 -5.130 -4.398
100 HH11 ARG 458 HH21 ARG 458 12.000 -2.284 -2.486
101 HH12 ARG 458 HH22 ARG 458 10.308 -2.010 -2.232
102 HH21 ARG 458 HH11 ARG 458 9.310 -4.776 -4.068
103 HH22 ARG 458 HH12 ARG 458 8.786 -3.421 -3.126
104 H GLY 459 HN GLY 459 17.083 -0.848 -2.235
105 HA2 GLY 459 HA2 GLY 459 18.466 -1.668 0.220
106 HA3 GLY 459 HA1 GLY 459 19.114 -0.611 -1.032
107 H ALA 460 HN ALA 460 15.891 -0.200 0.260
108 HA ALA 460 HA ALA 460 16.783 2.036 1.946
109 HB1 ALA 460 HB1 ALA 460 16.166 3.480 0.322
110 HB2 ALA 460 HB2 ALA 460 14.518 3.070 0.796
111 HB3 ALA 460 HB3 ALA 460 15.277 2.244 -0.565
112 H ILE 461 HN ILE 461 13.877 0.330 0.769
113 HA ILE 461 HA ILE 461 12.182 0.852 2.894
114 HB ILE 461 HB ILE 461 12.436 -1.458 0.995
115 HG12 ILE 461 HG12 ILE 461 10.252 -0.595 0.247
116 HG13 ILE 461 HG11 ILE 461 10.270 0.597 1.547
117 HG21 ILE 461 HG21 ILE 461 10.702 -1.261 3.453
118 HG22 ILE 461 HG22 ILE 461 11.629 -2.642 2.863
119 HG23 ILE 461 HG23 ILE 461 10.153 -2.151 2.033
120 HD11 ILE 461 HD11 ILE 461 12.474 0.423 -0.515
121 HD12 ILE 461 HD12 ILE 461 12.139 1.744 0.604
122 HD13 ILE 461 HD13 ILE 461 11.046 1.431 -0.743
123 H ALA 462 HN ALA 462 14.661 -1.655 2.592
124 HA ALA 462 HA ALA 462 14.085 -3.080 4.943
125 HB1 ALA 462 HB1 ALA 462 16.674 -2.643 3.447
126 HB2 ALA 462 HB2 ALA 462 15.596 -4.037 3.355
127 HB3 ALA 462 HB3 ALA 462 16.527 -3.738 4.824
128 H PHE 463 HN PHE 463 15.721 -0.050 4.411
129 HA PHE 463 HA PHE 463 16.739 0.046 7.149
130 HB2 PHE 463 HB2 PHE 463 18.324 1.204 6.046
131 HB3 PHE 463 HB1 PHE 463 17.285 1.440 4.640
132 HD1 PHE 463 HD1 PHE 463 15.795 3.374 4.473
133 HD2 PHE 463 HD2 PHE 463 18.345 2.815 7.884
134 HE1 PHE 463 HE1 PHE 463 15.389 5.721 5.162
135 HE2 PHE 463 HE2 PHE 463 17.939 5.161 8.572
136 HZ PHE 463 HZ PHE 463 16.461 6.616 7.212
137 H SER 464 HN SER 464 14.452 1.818 5.076
138 HA SER 464 HA SER 464 13.586 3.699 6.959
139 HB2 SER 464 HB2 SER 464 11.841 4.168 5.480
140 HB3 SER 464 HB1 SER 464 13.064 3.476 4.417
141 HG SER 464 HG SER 464 11.578 1.526 5.504
142 H LEU 465 HN LEU 465 13.171 0.331 6.928
143 HA LEU 465 HA LEU 465 10.697 0.365 8.478
144 HB2 LEU 465 HB2 LEU 465 12.205 -1.605 6.947
145 HB3 LEU 465 HB1 LEU 465 11.697 -2.227 8.517
146 HG LEU 465 HG LEU 465 9.381 -1.558 8.061
147 HD11 LEU 465 HD11 LEU 465 10.706 -0.074 5.917
148 HD12 LEU 465 HD12 LEU 465 9.119 0.181 6.640
149 HD13 LEU 465 HD13 LEU 465 9.317 -0.993 5.340
150 HD21 LEU 465 HD21 LEU 465 10.607 -3.716 7.051
151 HD22 LEU 465 HD22 LEU 465 10.166 -2.940 5.529
152 HD23 LEU 465 HD23 LEU 465 8.914 -3.364 6.697
153 H GLY 466 HN GLY 466 14.097 -0.604 8.904
154 HA2 GLY 466 HA2 GLY 466 13.726 -1.114 11.733
155 HA3 GLY 466 HA1 GLY 466 15.242 -1.209 10.840
156 H TYR 467 HN TYR 467 13.879 1.664 10.007
157 HA TYR 467 HA TYR 467 15.644 3.135 11.811
158 HB2 TYR 467 HB2 TYR 467 15.951 4.011 9.709
159 HB3 TYR 467 HB1 TYR 467 14.287 3.696 9.217
160 HD1 TYR 467 HD1 TYR 467 16.340 5.838 11.497
161 HD2 TYR 467 HD2 TYR 467 12.675 5.410 9.297
162 HE1 TYR 467 HE1 TYR 467 15.731 8.175 12.055
163 HE2 TYR 467 HE2 TYR 467 12.066 7.747 9.857
164 HH TYR 467 HH TYR 467 13.634 9.531 12.248
165 H LEU 468 HN LEU 468 12.213 2.871 11.004
166 HA LEU 468 HA LEU 468 11.283 5.018 12.575
167 HB2 LEU 468 HB2 LEU 468 9.865 2.440 11.864
168 HB3 LEU 468 HB1 LEU 468 9.094 3.919 12.435
169 HG LEU 468 HG LEU 468 10.886 4.098 10.044
170 HD11 LEU 468 HD11 LEU 468 8.861 3.579 8.619
171 HD12 LEU 468 HD12 LEU 468 8.097 2.928 10.069
172 HD13 LEU 468 HD13 LEU 468 9.567 2.184 9.438
173 HD21 LEU 468 HD21 LEU 468 8.194 5.370 10.345
174 HD22 LEU 468 HD22 LEU 468 9.658 6.013 9.602
175 HD23 LEU 468 HD23 LEU 468 9.511 5.959 11.358
176 H LEU 469 HN LEU 469 10.574 1.634 13.377
177 HA LEU 469 HA LEU 469 10.010 1.926 16.029
178 HB2 LEU 469 HB2 LEU 469 10.717 -0.420 16.335
179 HB3 LEU 469 HB1 LEU 469 9.780 -0.210 14.856
180 HG LEU 469 HG LEU 469 12.357 0.267 13.992
181 HD11 LEU 469 HD11 LEU 469 13.060 -0.565 16.320
182 HD12 LEU 469 HD12 LEU 469 13.816 -1.359 14.938
183 HD13 LEU 469 HD13 LEU 469 12.497 -2.152 15.799
184 HD21 LEU 469 HD21 LEU 469 10.844 -1.068 12.724
185 HD22 LEU 469 HD22 LEU 469 10.649 -2.228 14.036
186 HD23 LEU 469 HD23 LEU 469 12.169 -2.151 13.147
187 H ASP 470 HN ASP 470 13.059 2.327 14.521
188 HA ASP 470 HA ASP 470 14.665 1.901 16.879
189 HB2 ASP 470 HB2 ASP 470 15.108 2.661 14.066
190 HB3 ASP 470 HB1 ASP 470 16.235 3.382 15.215
191 H LYS 471 HN LYS 471 13.294 4.671 15.165
192 HA LYS 471 HA LYS 471 14.263 6.454 17.311
193 HB2 LYS 471 HB2 LYS 471 13.260 7.088 14.523
194 HB3 LYS 471 HB1 LYS 471 13.766 8.286 15.716
195 HG2 LYS 471 HG2 LYS 471 15.832 6.340 15.574
196 HG3 LYS 471 HG1 LYS 471 15.405 6.763 13.916
197 HD2 LYS 471 HD2 LYS 471 15.673 9.147 14.432
198 HD3 LYS 471 HD1 LYS 471 16.052 8.754 16.108
199 HE2 LYS 471 HE2 LYS 471 18.190 8.214 15.606
200 HE3 LYS 471 HE1 LYS 471 17.701 7.267 14.201
201 HZ1 LYS 471 HZ1 LYS 471 19.063 9.334 13.766
202 HZ2 LYS 471 HZ2 LYS 471 17.679 10.226 14.191
203 HZ3 LYS 471 HZ3 LYS 471 17.638 9.167 12.862
204 H LYS 472 HN LYS 472 11.401 5.993 15.220
205 HA LYS 472 HA LYS 472 9.697 7.444 17.041
206 HB2 LYS 472 HB2 LYS 472 9.177 5.845 14.533
207 HB3 LYS 472 HB1 LYS 472 7.883 6.587 15.474
208 HG2 LYS 472 HG2 LYS 472 10.166 8.366 14.859
209 HG3 LYS 472 HG1 LYS 472 9.209 7.862 13.464
210 HD2 LYS 472 HD2 LYS 472 7.180 8.701 14.456
211 HD3 LYS 472 HD1 LYS 472 7.992 8.999 15.992
212 HE2 LYS 472 HE2 LYS 472 9.247 10.802 15.115
213 HE3 LYS 472 HE1 LYS 472 8.922 10.327 13.449
214 HZ1 LYS 472 HZ1 LYS 472 7.090 11.545 13.449
215 HZ2 LYS 472 HZ2 LYS 472 7.489 12.119 14.998
216 HZ3 LYS 472 HZ3 LYS 472 6.493 10.753 14.824
217 HN1 NH2 473 H1 NH2 473 10.600 4.076 16.636
218 HN2 NH2 473 H2 NH2 473 9.519 3.456 17.788
Start of MODEL 13
1 H1 ACE 446 HA2 ACE 446 18.743 1.370 -22.232
2 H2 ACE 446 HA3 ACE 446 19.146 -0.198 -21.533
3 H3 ACE 446 HA1 ACE 446 20.112 1.224 -21.131
4 H LYS 447 HN LYS 447 18.105 -0.792 -19.722
5 HA LYS 447 HA LYS 447 17.037 1.251 -17.911
6 HB2 LYS 447 HB2 LYS 447 15.430 -0.468 -19.678
7 HB3 LYS 447 HB1 LYS 447 14.938 -0.499 -17.984
8 HG2 LYS 447 HG2 LYS 447 14.693 1.903 -17.937
9 HG3 LYS 447 HG1 LYS 447 15.404 2.055 -19.544
10 HD2 LYS 447 HD2 LYS 447 12.940 2.219 -19.641
11 HD3 LYS 447 HD1 LYS 447 13.520 0.797 -20.510
12 HE2 LYS 447 HE2 LYS 447 12.742 -0.679 -18.891
13 HE3 LYS 447 HE1 LYS 447 12.809 0.531 -17.609
14 HZ1 LYS 447 HZ1 LYS 447 10.597 -0.211 -19.062
15 HZ2 LYS 447 HZ2 LYS 447 11.022 1.317 -19.671
16 HZ3 LYS 447 HZ3 LYS 447 10.724 1.114 -18.010
17 H ASP 448 HN ASP 448 17.678 -2.145 -18.615
18 HA ASP 448 HA ASP 448 17.212 -3.122 -15.987
19 HB2 ASP 448 HB2 ASP 448 17.632 -4.307 -18.382
20 HB3 ASP 448 HB1 ASP 448 19.228 -4.500 -17.658
21 H GLN 449 HN GLN 449 19.969 -1.669 -17.584
22 HA GLN 449 HA GLN 449 21.912 -2.407 -15.622
23 HB2 GLN 449 HB2 GLN 449 21.796 -0.653 -17.997
24 HB3 GLN 449 HB1 GLN 449 22.951 -0.167 -16.756
25 HG2 GLN 449 HG2 GLN 449 22.781 -3.000 -17.799
26 HG3 GLN 449 HG1 GLN 449 23.836 -1.786 -18.519
27 HE21 GLN 449 HE21 GLN 449 24.617 -0.439 -16.081
28 HE22 GLN 449 HE22 GLN 449 25.571 -1.517 -15.181
29 H PHE 450 HN PHE 450 19.375 -0.142 -15.664
30 HA PHE 450 HA PHE 450 20.627 1.663 -13.740
31 HB2 PHE 450 HB2 PHE 450 17.854 1.642 -14.956
32 HB3 PHE 450 HB1 PHE 450 18.480 2.895 -13.883
33 HD1 PHE 450 HD2 PHE 450 19.238 1.126 -17.095
34 HD2 PHE 450 HD1 PHE 450 19.695 4.703 -14.761
35 HE1 PHE 450 HE2 PHE 450 20.309 2.250 -19.028
36 HE2 PHE 450 HE1 PHE 450 20.765 5.828 -16.694
37 HZ PHE 450 HZ PHE 450 21.073 4.602 -18.828
38 H ILE 451 HN ILE 451 17.987 -0.701 -13.893
39 HA ILE 451 HA ILE 451 17.121 -0.357 -11.207
40 HB ILE 451 HB ILE 451 16.805 -2.623 -13.180
41 HG12 ILE 451 HG12 ILE 451 14.575 -0.956 -12.095
42 HG13 ILE 451 HG11 ILE 451 15.667 -0.198 -13.254
43 HG21 ILE 451 HG21 ILE 451 15.988 -2.360 -10.307
44 HG22 ILE 451 HG22 ILE 451 16.527 -3.788 -11.188
45 HG23 ILE 451 HG23 ILE 451 14.894 -3.168 -11.429
46 HD11 ILE 451 HD11 ILE 451 14.456 -2.908 -13.792
47 HD12 ILE 451 HD12 ILE 451 15.155 -1.771 -14.944
48 HD13 ILE 451 HD13 ILE 451 13.595 -1.423 -14.198
49 H ILE 452 HN ILE 452 19.044 -2.966 -12.711
50 HA ILE 452 HA ILE 452 19.699 -4.336 -10.372
51 HB ILE 452 HB ILE 452 20.134 -4.950 -12.859
52 HG12 ILE 452 HG12 ILE 452 22.041 -5.514 -10.574
53 HG13 ILE 452 HG11 ILE 452 20.683 -6.503 -11.114
54 HG21 ILE 452 HG21 ILE 452 22.873 -3.861 -12.252
55 HG22 ILE 452 HG22 ILE 452 21.661 -2.827 -13.005
56 HG23 ILE 452 HG23 ILE 452 22.178 -4.308 -13.810
57 HD11 ILE 452 HD11 ILE 452 22.579 -7.582 -12.031
58 HD12 ILE 452 HD12 ILE 452 23.334 -6.054 -12.486
59 HD13 ILE 452 HD13 ILE 452 21.928 -6.642 -13.373
60 H ALA 453 HN ALA 453 20.693 -1.250 -11.410
61 HA ALA 453 HA ALA 453 23.197 -1.244 -9.930
62 HB1 ALA 453 HB1 ALA 453 22.499 1.395 -10.571
63 HB2 ALA 453 HB2 ALA 453 21.927 0.422 -11.926
64 HB3 ALA 453 HB3 ALA 453 23.623 0.353 -11.445
65 H TYR 454 HN TYR 454 19.874 -0.238 -9.504
66 HA TYR 454 HA TYR 454 20.478 0.413 -6.701
67 HB2 TYR 454 HB2 TYR 454 18.798 2.174 -8.502
68 HB3 TYR 454 HB1 TYR 454 19.119 2.436 -6.789
69 HD1 TYR 454 HD2 TYR 454 21.612 2.608 -6.068
70 HD2 TYR 454 HD1 TYR 454 20.253 3.064 -10.117
71 HE1 TYR 454 HE2 TYR 454 23.713 3.794 -6.640
72 HE2 TYR 454 HE1 TYR 454 22.355 4.250 -10.689
73 HH TYR 454 HH TYR 454 24.504 4.636 -9.957
74 H GLY 455 HN GLY 455 17.623 0.653 -8.825
75 HA2 GLY 455 HA2 GLY 455 15.656 -0.104 -7.115
76 HA3 GLY 455 HA1 GLY 455 15.644 -0.557 -8.817
77 H GLY 456 HN GLY 456 18.225 -2.096 -8.281
78 HA2 GLY 456 HA2 GLY 456 16.896 -4.543 -7.315
79 HA3 GLY 456 HA1 GLY 456 18.319 -4.492 -8.351
80 H LEU 457 HN LEU 457 19.983 -2.778 -7.046
81 HA LEU 457 HA LEU 457 21.111 -4.392 -5.032
82 HB2 LEU 457 HB2 LEU 457 22.536 -2.900 -6.247
83 HB3 LEU 457 HB1 LEU 457 21.565 -1.502 -5.794
84 HG LEU 457 HG LEU 457 22.254 -1.670 -3.488
85 HD11 LEU 457 HD11 LEU 457 23.364 -4.332 -4.381
86 HD12 LEU 457 HD12 LEU 457 22.282 -3.990 -3.030
87 HD13 LEU 457 HD13 LEU 457 23.980 -3.528 -2.938
88 HD21 LEU 457 HD21 LEU 457 24.437 -0.966 -3.756
89 HD22 LEU 457 HD22 LEU 457 23.911 -0.910 -5.439
90 HD23 LEU 457 HD23 LEU 457 24.842 -2.288 -4.851
91 H ARG 458 HN ARG 458 19.747 -1.112 -4.649
92 HA ARG 458 HA ARG 458 19.672 -0.872 -1.950
93 HB2 ARG 458 HB2 ARG 458 17.932 0.098 -4.135
94 HB3 ARG 458 HB1 ARG 458 17.233 0.164 -2.518
95 HG2 ARG 458 HG2 ARG 458 18.459 2.249 -3.074
96 HG3 ARG 458 HG1 ARG 458 19.186 1.410 -1.703
97 HD2 ARG 458 HD2 ARG 458 20.221 0.614 -4.356
98 HD3 ARG 458 HD1 ARG 458 20.592 2.267 -3.874
99 HE ARG 458 HE ARG 458 21.630 -0.159 -2.674
100 HH11 ARG 458 HH21 ARG 458 20.940 3.212 -2.308
101 HH12 ARG 458 HH22 ARG 458 22.122 3.461 -1.066
102 HH21 ARG 458 HH11 ARG 458 23.181 0.159 -1.044
103 HH22 ARG 458 HH12 ARG 458 23.389 1.732 -0.350
104 H GLY 459 HN GLY 459 17.889 -3.137 -3.842
105 HA2 GLY 459 HA2 GLY 459 15.869 -3.713 -1.875
106 HA3 GLY 459 HA1 GLY 459 16.224 -4.657 -3.318
107 H ALA 460 HN ALA 460 18.503 -3.765 -0.767
108 HA ALA 460 HA ALA 460 18.545 -6.550 0.182
109 HB1 ALA 460 HB1 ALA 460 20.786 -6.895 -0.244
110 HB2 ALA 460 HB2 ALA 460 21.161 -5.172 -0.237
111 HB3 ALA 460 HB3 ALA 460 20.363 -5.895 -1.633
112 H ILE 461 HN ILE 461 20.095 -3.365 0.631
113 HA ILE 461 HA ILE 461 20.797 -3.658 3.311
114 HB ILE 461 HB ILE 461 20.141 -1.284 1.594
115 HG12 ILE 461 HG12 ILE 461 22.524 -0.812 1.984
116 HG13 ILE 461 HG11 ILE 461 22.628 -2.189 3.082
117 HG21 ILE 461 HG21 ILE 461 20.538 -1.372 4.579
118 HG22 ILE 461 HG22 ILE 461 19.357 -0.449 3.648
119 HG23 ILE 461 HG23 ILE 461 21.052 0.033 3.647
120 HD11 ILE 461 HD11 ILE 461 21.713 -2.487 0.217
121 HD12 ILE 461 HD12 ILE 461 22.249 -3.750 1.324
122 HD13 ILE 461 HD13 ILE 461 23.412 -2.596 0.675
123 H ALA 462 HN ALA 462 17.781 -2.416 1.896
124 HA ALA 462 HA ALA 462 16.432 -1.593 4.145
125 HB1 ALA 462 HB1 ALA 462 14.554 -1.615 2.844
126 HB2 ALA 462 HB2 ALA 462 14.859 -3.247 2.246
127 HB3 ALA 462 HB3 ALA 462 15.735 -1.876 1.560
128 H PHE 463 HN PHE 463 16.969 -4.886 3.016
129 HA PHE 463 HA PHE 463 15.383 -5.995 5.205
130 HB2 PHE 463 HB2 PHE 463 15.032 -7.536 3.605
131 HB3 PHE 463 HB1 PHE 463 16.382 -6.943 2.636
132 HD1 PHE 463 HD2 PHE 463 15.416 -9.193 5.416
133 HD2 PHE 463 HD1 PHE 463 18.575 -7.932 2.793
134 HE1 PHE 463 HE2 PHE 463 16.785 -11.134 6.131
135 HE2 PHE 463 HE1 PHE 463 19.944 -9.874 3.506
136 HZ PHE 463 HZ PHE 463 19.047 -11.475 5.175
137 H SER 464 HN SER 464 18.748 -5.782 4.136
138 HA SER 464 HA SER 464 19.928 -7.469 6.028
139 HB2 SER 464 HB2 SER 464 21.902 -6.681 5.217
140 HB3 SER 464 HB1 SER 464 20.869 -5.970 3.981
141 HG SER 464 HG SER 464 21.802 -4.755 6.374
142 H LEU 465 HN LEU 465 18.882 -4.112 6.275
143 HA LEU 465 HA LEU 465 19.952 -3.898 8.985
144 HB2 LEU 465 HB2 LEU 465 20.256 -1.811 8.200
145 HB3 LEU 465 HB1 LEU 465 19.126 -2.044 6.876
146 HG LEU 465 HG LEU 465 18.219 -1.523 9.729
147 HD11 LEU 465 HD11 LEU 465 17.839 0.828 8.880
148 HD12 LEU 465 HD12 LEU 465 18.838 0.410 7.489
149 HD13 LEU 465 HD13 LEU 465 19.530 0.384 9.110
150 HD21 LEU 465 HD21 LEU 465 16.503 -0.531 7.642
151 HD22 LEU 465 HD22 LEU 465 16.149 -1.769 8.846
152 HD23 LEU 465 HD23 LEU 465 16.873 -2.222 7.304
153 H GLY 466 HN GLY 466 16.983 -4.541 7.326
154 HA2 GLY 466 HA2 GLY 466 15.348 -4.086 9.710
155 HA3 GLY 466 HA1 GLY 466 14.765 -4.561 8.118
156 H TYR 467 HN TYR 467 17.392 -6.445 8.778
157 HA TYR 467 HA TYR 467 15.697 -8.727 9.456
158 HB2 TYR 467 HB2 TYR 467 17.081 -9.515 7.840
159 HB3 TYR 467 HB1 TYR 467 18.332 -8.320 8.184
160 HD1 TYR 467 HD1 TYR 467 16.725 -11.377 9.630
161 HD2 TYR 467 HD2 TYR 467 20.261 -8.953 9.358
162 HE1 TYR 467 HE1 TYR 467 17.986 -13.073 10.927
163 HE2 TYR 467 HE2 TYR 467 21.524 -10.649 10.654
164 HH TYR 467 HH TYR 467 21.365 -13.084 11.136
165 H LEU 468 HN LEU 468 18.473 -6.949 10.747
166 HA LEU 468 HA LEU 468 18.948 -8.656 12.962
167 HB2 LEU 468 HB2 LEU 468 19.638 -5.773 12.401
168 HB3 LEU 468 HB1 LEU 468 20.111 -6.583 13.894
169 HG LEU 468 HG LEU 468 20.713 -8.187 11.524
170 HD11 LEU 468 HD11 LEU 468 22.690 -6.697 10.913
171 HD12 LEU 468 HD12 LEU 468 21.877 -5.409 11.800
172 HD13 LEU 468 HD13 LEU 468 21.110 -6.125 10.383
173 HD21 LEU 468 HD21 LEU 468 21.540 -8.446 13.925
174 HD22 LEU 468 HD22 LEU 468 22.561 -7.038 13.631
175 HD23 LEU 468 HD23 LEU 468 22.789 -8.508 12.681
176 H LEU 469 HN LEU 469 17.843 -5.291 13.272
177 HA LEU 469 HA LEU 469 16.772 -5.450 15.786
178 HB2 LEU 469 HB2 LEU 469 15.311 -3.555 15.160
179 HB3 LEU 469 HB1 LEU 469 16.961 -3.337 14.579
180 HG LEU 469 HG LEU 469 15.779 -4.694 12.489
181 HD11 LEU 469 HD11 LEU 469 13.791 -2.593 13.363
182 HD12 LEU 469 HD12 LEU 469 13.580 -4.298 13.759
183 HD13 LEU 469 HD13 LEU 469 13.622 -3.781 12.074
184 HD21 LEU 469 HD21 LEU 469 15.814 -2.486 11.360
185 HD22 LEU 469 HD22 LEU 469 17.265 -2.733 12.331
186 HD23 LEU 469 HD23 LEU 469 15.970 -1.695 12.930
187 H ASP 470 HN ASP 470 15.629 -7.022 12.990
188 HA ASP 470 HA ASP 470 12.921 -7.371 14.059
189 HB2 ASP 470 HB2 ASP 470 13.082 -6.931 11.678
190 HB3 ASP 470 HB1 ASP 470 14.197 -8.280 11.471
191 H LYS 471 HN LYS 471 15.914 -9.115 13.550
192 HA LYS 471 HA LYS 471 14.739 -11.459 14.926
193 HB2 LYS 471 HB2 LYS 471 16.881 -11.433 12.784
194 HB3 LYS 471 HB1 LYS 471 16.319 -12.863 13.651
195 HG2 LYS 471 HG2 LYS 471 14.271 -11.148 12.312
196 HG3 LYS 471 HG1 LYS 471 15.277 -12.180 11.295
197 HD2 LYS 471 HD2 LYS 471 14.028 -13.363 13.748
198 HD3 LYS 471 HD1 LYS 471 13.021 -13.108 12.324
199 HE2 LYS 471 HE2 LYS 471 14.257 -14.597 11.017
200 HE3 LYS 471 HE1 LYS 471 15.695 -14.444 12.027
201 HZ1 LYS 471 HZ1 LYS 471 15.009 -16.344 12.937
202 HZ2 LYS 471 HZ2 LYS 471 13.439 -16.206 12.301
203 HZ3 LYS 471 HZ3 LYS 471 13.847 -15.410 13.745
204 H LYS 472 HN LYS 472 17.925 -10.063 14.102
205 HA LYS 472 HA LYS 472 19.897 -10.057 15.311
206 HB2 LYS 472 HB2 LYS 472 18.536 -8.155 16.248
207 HB3 LYS 472 HB1 LYS 472 18.038 -9.235 17.550
208 HG2 LYS 472 HG2 LYS 472 19.921 -8.655 18.642
209 HG3 LYS 472 HG1 LYS 472 20.827 -9.521 17.400
210 HD2 LYS 472 HD2 LYS 472 21.706 -7.281 17.481
211 HD3 LYS 472 HD1 LYS 472 20.751 -7.411 16.004
212 HE2 LYS 472 HE2 LYS 472 18.923 -6.631 17.991
213 HE3 LYS 472 HE1 LYS 472 20.363 -5.656 18.281
214 HZ1 LYS 472 HZ1 LYS 472 18.497 -5.056 16.472
215 HZ2 LYS 472 HZ2 LYS 472 19.584 -5.934 15.504
216 HZ3 LYS 472 HZ3 LYS 472 20.116 -4.561 16.354
217 HN1 NH2 473 H1 NH2 473 19.399 -10.486 18.459
218 HN2 NH2 473 H2 NH2 473 19.522 -12.175 18.586
Start of MODEL 14
1 H1 ACE 446 HA2 ACE 446 18.559 -0.806 -21.379
2 H2 ACE 446 HA3 ACE 446 19.288 0.778 -21.641
3 H3 ACE 446 HA1 ACE 446 17.544 0.571 -21.805
4 H LYS 447 HN LYS 447 16.508 -0.412 -19.734
5 HA LYS 447 HA LYS 447 17.350 1.276 -17.496
6 HB2 LYS 447 HB2 LYS 447 14.949 -0.453 -17.261
7 HB3 LYS 447 HB1 LYS 447 15.181 1.233 -16.795
8 HG2 LYS 447 HG2 LYS 447 15.147 1.861 -19.217
9 HG3 LYS 447 HG1 LYS 447 14.786 0.181 -19.615
10 HD2 LYS 447 HD2 LYS 447 13.050 1.603 -17.620
11 HD3 LYS 447 HD1 LYS 447 12.823 1.926 -19.338
12 HE2 LYS 447 HE2 LYS 447 12.542 -0.484 -19.764
13 HE3 LYS 447 HE1 LYS 447 12.775 -0.819 -18.048
14 HZ1 LYS 447 HZ1 LYS 447 10.483 -0.741 -18.305
15 HZ2 LYS 447 HZ2 LYS 447 10.537 0.584 -19.367
16 HZ3 LYS 447 HZ3 LYS 447 10.854 0.804 -17.713
17 H ASP 448 HN ASP 448 16.985 -2.107 -18.376
18 HA ASP 448 HA ASP 448 17.161 -3.377 -15.935
19 HB2 ASP 448 HB2 ASP 448 17.440 -5.229 -17.183
20 HB3 ASP 448 HB1 ASP 448 17.323 -4.159 -18.580
21 H GLN 449 HN GLN 449 19.540 -1.447 -17.516
22 HA GLN 449 HA GLN 449 21.734 -2.489 -15.897
23 HB2 GLN 449 HB2 GLN 449 21.691 -0.204 -17.883
24 HB3 GLN 449 HB1 GLN 449 23.128 -0.921 -17.152
25 HG2 GLN 449 HG2 GLN 449 21.979 -3.154 -18.135
26 HG3 GLN 449 HG1 GLN 449 21.366 -1.979 -19.300
27 HE21 GLN 449 HE21 GLN 449 24.370 -3.349 -17.942
28 HE22 GLN 449 HE22 GLN 449 25.365 -2.845 -19.223
29 H PHE 450 HN PHE 450 19.417 0.056 -15.869
30 HA PHE 450 HA PHE 450 20.930 1.665 -13.953
31 HB2 PHE 450 HB2 PHE 450 19.774 3.278 -15.004
32 HB3 PHE 450 HB1 PHE 450 18.697 2.103 -15.761
33 HD1 PHE 450 HD1 PHE 450 19.330 3.990 -12.609
34 HD2 PHE 450 HD2 PHE 450 16.509 1.719 -14.920
35 HE1 PHE 450 HE1 PHE 450 17.525 4.626 -11.033
36 HE2 PHE 450 HE2 PHE 450 14.704 2.357 -13.343
37 HZ PHE 450 HZ PHE 450 15.212 3.811 -11.399
38 H ILE 451 HN ILE 451 18.463 -0.753 -14.028
39 HA ILE 451 HA ILE 451 17.421 -0.160 -11.390
40 HB ILE 451 HB ILE 451 16.965 -2.331 -13.418
41 HG12 ILE 451 HG12 ILE 451 14.797 -0.849 -12.023
42 HG13 ILE 451 HG11 ILE 451 15.826 0.103 -13.094
43 HG21 ILE 451 HG21 ILE 451 16.294 -2.328 -10.484
44 HG22 ILE 451 HG22 ILE 451 16.903 -3.651 -11.480
45 HG23 ILE 451 HG23 ILE 451 15.227 -3.126 -11.637
46 HD11 ILE 451 HD11 ILE 451 13.811 -0.897 -14.233
47 HD12 ILE 451 HD12 ILE 451 14.495 -2.491 -13.916
48 HD13 ILE 451 HD13 ILE 451 15.350 -1.356 -14.961
49 H ILE 452 HN ILE 452 19.307 -2.832 -12.822
50 HA ILE 452 HA ILE 452 19.808 -4.297 -10.528
51 HB ILE 452 HB ILE 452 20.474 -4.757 -12.996
52 HG12 ILE 452 HG12 ILE 452 22.346 -5.430 -10.701
53 HG13 ILE 452 HG11 ILE 452 20.878 -6.311 -11.123
54 HG21 ILE 452 HG21 ILE 452 23.135 -3.687 -12.086
55 HG22 ILE 452 HG22 ILE 452 21.980 -2.616 -12.878
56 HG23 ILE 452 HG23 ILE 452 22.583 -4.041 -13.723
57 HD11 ILE 452 HD11 ILE 452 22.141 -7.572 -12.500
58 HD12 ILE 452 HD12 ILE 452 23.533 -6.512 -12.286
59 HD13 ILE 452 HD13 ILE 452 22.326 -6.146 -13.519
60 H ALA 453 HN ALA 453 20.807 -1.135 -11.238
61 HA ALA 453 HA ALA 453 23.190 -1.201 -9.567
62 HB1 ALA 453 HB1 ALA 453 23.682 0.857 -10.430
63 HB2 ALA 453 HB2 ALA 453 21.998 1.383 -10.416
64 HB3 ALA 453 HB3 ALA 453 22.578 0.317 -11.696
65 H TYR 454 HN TYR 454 19.849 -0.093 -9.404
66 HA TYR 454 HA TYR 454 20.175 0.264 -6.499
67 HB2 TYR 454 HB2 TYR 454 18.587 2.199 -8.187
68 HB3 TYR 454 HB1 TYR 454 19.029 2.351 -6.487
69 HD1 TYR 454 HD1 TYR 454 21.611 2.286 -5.967
70 HD2 TYR 454 HD2 TYR 454 19.929 3.235 -9.805
71 HE1 TYR 454 HE1 TYR 454 23.717 3.426 -6.611
72 HE2 TYR 454 HE2 TYR 454 22.034 4.375 -10.447
73 HH TYR 454 HH TYR 454 23.987 5.539 -9.066
74 H GLY 455 HN GLY 455 17.583 0.693 -8.917
75 HA2 GLY 455 HA2 GLY 455 15.410 -0.096 -7.498
76 HA3 GLY 455 HA1 GLY 455 15.603 -0.483 -9.205
77 H GLY 456 HN GLY 456 18.010 -2.140 -8.610
78 HA2 GLY 456 HA2 GLY 456 16.559 -4.557 -7.749
79 HA3 GLY 456 HA1 GLY 456 18.009 -4.533 -8.747
80 H LEU 457 HN LEU 457 19.846 -3.172 -7.482
81 HA LEU 457 HA LEU 457 20.693 -4.823 -5.370
82 HB2 LEU 457 HB2 LEU 457 22.336 -3.623 -6.639
83 HB3 LEU 457 HB1 LEU 457 21.586 -2.074 -6.260
84 HG LEU 457 HG LEU 457 22.241 -2.235 -3.945
85 HD11 LEU 457 HD11 LEU 457 22.924 -5.079 -4.690
86 HD12 LEU 457 HD12 LEU 457 21.895 -4.506 -3.377
87 HD13 LEU 457 HD13 LEU 457 23.645 -4.307 -3.278
88 HD21 LEU 457 HD21 LEU 457 24.006 -1.480 -5.466
89 HD22 LEU 457 HD22 LEU 457 24.493 -3.150 -5.759
90 HD23 LEU 457 HD23 LEU 457 24.712 -2.436 -4.161
91 H ARG 458 HN ARG 458 19.957 -1.339 -5.113
92 HA ARG 458 HA ARG 458 18.909 -0.126 -3.462
93 HB2 ARG 458 HB2 ARG 458 17.271 -2.172 -3.701
94 HB3 ARG 458 HB1 ARG 458 17.942 -2.633 -2.137
95 HG2 ARG 458 HG2 ARG 458 16.207 -1.283 -1.424
96 HG3 ARG 458 HG1 ARG 458 17.477 -0.068 -1.584
97 HD2 ARG 458 HD2 ARG 458 16.648 0.181 -4.024
98 HD3 ARG 458 HD1 ARG 458 15.207 -0.672 -3.477
99 HE ARG 458 HE ARG 458 14.599 1.224 -2.250
100 HH11 ARG 458 HH21 ARG 458 17.832 1.450 -3.464
101 HH12 ARG 458 HH22 ARG 458 18.012 3.126 -3.066
102 HH21 ARG 458 HH11 ARG 458 14.828 3.422 -1.724
103 HH22 ARG 458 HH12 ARG 458 16.311 4.241 -2.081
104 H GLY 459 HN GLY 459 21.544 -0.513 -3.118
105 HA2 GLY 459 HA2 GLY 459 22.571 -1.803 -0.926
106 HA3 GLY 459 HA1 GLY 459 23.142 -0.229 -1.473
107 H ALA 460 HN ALA 460 20.242 0.713 -0.941
108 HA ALA 460 HA ALA 460 20.681 2.016 1.480
109 HB1 ALA 460 HB1 ALA 460 18.485 1.687 -0.379
110 HB2 ALA 460 HB2 ALA 460 18.858 3.049 0.678
111 HB3 ALA 460 HB3 ALA 460 17.904 1.697 1.286
112 H ILE 461 HN ILE 461 19.845 -1.248 0.899
113 HA ILE 461 HA ILE 461 18.699 -1.655 3.554
114 HB ILE 461 HB ILE 461 19.091 -3.374 1.124
115 HG12 ILE 461 HG12 ILE 461 16.690 -3.668 1.352
116 HG13 ILE 461 HG11 ILE 461 16.702 -2.865 2.923
117 HG21 ILE 461 HG21 ILE 461 19.791 -4.916 2.756
118 HG22 ILE 461 HG22 ILE 461 18.054 -5.202 2.664
119 HG23 ILE 461 HG23 ILE 461 18.720 -4.244 3.985
120 HD11 ILE 461 HD11 ILE 461 15.981 -1.436 0.916
121 HD12 ILE 461 HD12 ILE 461 17.671 -1.486 0.414
122 HD13 ILE 461 HD13 ILE 461 17.230 -0.755 1.957
123 H ALA 462 HN ALA 462 21.610 -2.468 1.714
124 HA ALA 462 HA ALA 462 22.826 -4.100 3.678
125 HB1 ALA 462 HB1 ALA 462 24.722 -2.561 2.093
126 HB2 ALA 462 HB2 ALA 462 23.446 -3.264 1.098
127 HB3 ALA 462 HB3 ALA 462 24.437 -4.301 2.123
128 H PHE 463 HN PHE 463 22.691 -0.628 3.208
129 HA PHE 463 HA PHE 463 24.729 -0.064 5.182
130 HB2 PHE 463 HB2 PHE 463 24.738 1.842 3.998
131 HB3 PHE 463 HB1 PHE 463 23.219 1.419 3.207
132 HD1 PHE 463 HD2 PHE 463 24.689 2.933 6.272
133 HD2 PHE 463 HD1 PHE 463 21.148 2.369 3.908
134 HE1 PHE 463 HE2 PHE 463 23.499 4.614 7.652
135 HE2 PHE 463 HE1 PHE 463 19.958 4.051 5.289
136 HZ PHE 463 HZ PHE 463 21.135 5.172 7.161
137 H SER 464 HN SER 464 21.187 0.291 4.990
138 HA SER 464 HA SER 464 20.667 1.365 7.477
139 HB2 SER 464 HB2 SER 464 18.797 1.128 6.095
140 HB3 SER 464 HB1 SER 464 19.148 -0.561 5.744
141 HG SER 464 HG SER 464 18.533 0.373 8.344
142 H LEU 465 HN LEU 465 21.354 -1.995 6.631
143 HA LEU 465 HA LEU 465 20.816 -3.067 9.222
144 HB2 LEU 465 HB2 LEU 465 21.857 -4.030 6.662
145 HB3 LEU 465 HB1 LEU 465 22.628 -4.792 8.054
146 HG LEU 465 HG LEU 465 20.445 -5.398 8.975
147 HD11 LEU 465 HD11 LEU 465 18.585 -4.983 6.999
148 HD12 LEU 465 HD12 LEU 465 19.547 -3.509 6.897
149 HD13 LEU 465 HD13 LEU 465 18.777 -3.956 8.419
150 HD21 LEU 465 HD21 LEU 465 20.921 -6.116 6.073
151 HD22 LEU 465 HD22 LEU 465 19.651 -6.873 7.036
152 HD23 LEU 465 HD23 LEU 465 21.342 -7.057 7.505
153 H GLY 466 HN GLY 466 23.950 -2.745 7.537
154 HA2 GLY 466 HA2 GLY 466 25.556 -3.122 9.804
155 HA3 GLY 466 HA1 GLY 466 26.066 -2.305 8.329
156 H TYR 467 HN TYR 467 23.422 -0.653 9.272
157 HA TYR 467 HA TYR 467 25.037 1.455 10.490
158 HB2 TYR 467 HB2 TYR 467 23.711 2.440 8.884
159 HB3 TYR 467 HB1 TYR 467 22.379 1.313 9.139
160 HD1 TYR 467 HD2 TYR 467 24.309 3.918 11.036
161 HD2 TYR 467 HD1 TYR 467 20.494 2.097 10.269
162 HE1 TYR 467 HE2 TYR 467 23.223 5.548 12.558
163 HE2 TYR 467 HE1 TYR 467 19.410 3.729 11.789
164 HH TYR 467 HH TYR 467 20.771 6.530 12.752
165 H LEU 468 HN LEU 468 21.866 -0.068 11.150
166 HA LEU 468 HA LEU 468 21.552 0.987 13.732
167 HB2 LEU 468 HB2 LEU 468 20.421 -1.390 12.290
168 HB3 LEU 468 HB1 LEU 468 20.086 -1.166 14.006
169 HG LEU 468 HG LEU 468 19.742 1.253 12.331
170 HD11 LEU 468 HD11 LEU 468 17.536 0.489 11.496
171 HD12 LEU 468 HD12 LEU 468 17.879 -1.128 12.109
172 HD13 LEU 468 HD13 LEU 468 18.860 -0.453 10.808
173 HD21 LEU 468 HD21 LEU 468 19.193 1.121 14.754
174 HD22 LEU 468 HD22 LEU 468 18.012 -0.142 14.403
175 HD23 LEU 468 HD23 LEU 468 17.768 1.491 13.781
176 H LEU 469 HN LEU 469 22.204 -2.462 13.089
177 HA LEU 469 HA LEU 469 22.998 -3.206 15.600
178 HB2 LEU 469 HB2 LEU 469 24.330 -4.994 14.528
179 HB3 LEU 469 HB1 LEU 469 22.740 -4.818 13.788
180 HG LEU 469 HG LEU 469 24.270 -3.058 12.314
181 HD11 LEU 469 HD11 LEU 469 25.932 -5.560 12.647
182 HD12 LEU 469 HD12 LEU 469 26.269 -4.087 13.556
183 HD13 LEU 469 HD13 LEU 469 26.358 -4.077 11.794
184 HD21 LEU 469 HD21 LEU 469 22.638 -4.640 11.411
185 HD22 LEU 469 HD22 LEU 469 23.688 -5.995 11.820
186 HD23 LEU 469 HD23 LEU 469 24.173 -4.849 10.572
187 H ASP 470 HN ASP 470 24.576 -0.980 13.590
188 HA ASP 470 HA ASP 470 27.161 -1.325 14.948
189 HB2 ASP 470 HB2 ASP 470 27.304 -1.092 12.545
190 HB3 ASP 470 HB1 ASP 470 26.328 0.376 12.591
191 H LYS 471 HN LYS 471 24.416 0.834 14.711
192 HA LYS 471 HA LYS 471 25.773 2.846 16.354
193 HB2 LYS 471 HB2 LYS 471 24.234 4.382 15.592
194 HB3 LYS 471 HB1 LYS 471 24.267 3.267 14.231
195 HG2 LYS 471 HG2 LYS 471 21.997 3.388 14.507
196 HG3 LYS 471 HG1 LYS 471 22.310 2.086 15.646
197 HD2 LYS 471 HD2 LYS 471 21.097 3.484 17.025
198 HD3 LYS 471 HD1 LYS 471 22.693 4.174 17.305
199 HE2 LYS 471 HE2 LYS 471 20.464 5.211 15.575
200 HE3 LYS 471 HE1 LYS 471 21.422 6.068 16.783
201 HZ1 LYS 471 HZ1 LYS 471 22.885 4.962 14.528
202 HZ2 LYS 471 HZ2 LYS 471 23.083 6.445 15.334
203 HZ3 LYS 471 HZ3 LYS 471 21.854 6.262 14.175
204 H LYS 472 HN LYS 472 23.406 0.340 16.577
205 HA LYS 472 HA LYS 472 22.191 1.249 19.021
206 HB2 LYS 472 HB2 LYS 472 21.710 -0.784 17.084
207 HB3 LYS 472 HB1 LYS 472 21.884 -1.570 18.651
208 HG2 LYS 472 HG2 LYS 472 19.544 -0.945 18.293
209 HG3 LYS 472 HG1 LYS 472 20.223 0.010 19.610
210 HD2 LYS 472 HD2 LYS 472 20.044 1.961 18.452
211 HD3 LYS 472 HD1 LYS 472 20.523 1.215 16.927
212 HE2 LYS 472 HE2 LYS 472 18.277 0.215 16.708
213 HE3 LYS 472 HE1 LYS 472 17.799 0.954 18.237
214 HZ1 LYS 472 HZ1 LYS 472 17.687 3.004 17.321
215 HZ2 LYS 472 HZ2 LYS 472 17.367 2.108 15.913
216 HZ3 LYS 472 HZ3 LYS 472 18.928 2.714 16.203
217 HN1 NH2 473 H1 NH2 473 22.496 0.215 21.143
218 HN2 NH2 473 H2 NH2 473 23.956 -0.568 21.514
Start of MODEL 15
1 H1 ACE 446 HA2 ACE 446 20.068 1.183 -20.685
2 H2 ACE 446 HA3 ACE 446 19.482 2.783 -21.144
3 H3 ACE 446 HA1 ACE 446 18.872 1.350 -21.970
4 H LYS 447 HN LYS 447 18.643 -0.242 -19.552
5 HA LYS 447 HA LYS 447 16.795 1.164 -17.809
6 HB2 LYS 447 HB2 LYS 447 15.527 0.367 -19.934
7 HB3 LYS 447 HB1 LYS 447 15.727 -1.246 -19.258
8 HG2 LYS 447 HG2 LYS 447 13.625 -0.500 -18.435
9 HG3 LYS 447 HG1 LYS 447 14.743 -0.310 -17.087
10 HD2 LYS 447 HD2 LYS 447 14.832 2.106 -18.615
11 HD3 LYS 447 HD1 LYS 447 13.137 1.696 -18.353
12 HE2 LYS 447 HE2 LYS 447 15.238 1.792 -16.171
13 HE3 LYS 447 HE1 LYS 447 14.082 3.080 -16.508
14 HZ1 LYS 447 HZ1 LYS 447 12.727 0.617 -16.309
15 HZ2 LYS 447 HZ2 LYS 447 12.550 2.011 -15.352
16 HZ3 LYS 447 HZ3 LYS 447 13.697 0.828 -14.933
17 H ASP 448 HN ASP 448 17.239 -2.245 -18.752
18 HA ASP 448 HA ASP 448 17.168 -3.293 -16.170
19 HB2 ASP 448 HB2 ASP 448 18.448 -4.286 -18.712
20 HB3 ASP 448 HB1 ASP 448 18.483 -5.222 -17.219
21 H GLN 449 HN GLN 449 19.538 -1.352 -17.591
22 HA GLN 449 HA GLN 449 21.741 -2.405 -15.988
23 HB2 GLN 449 HB2 GLN 449 21.626 -0.023 -17.854
24 HB3 GLN 449 HB1 GLN 449 23.083 -0.679 -17.108
25 HG2 GLN 449 HG2 GLN 449 22.358 -2.925 -18.203
26 HG3 GLN 449 HG1 GLN 449 21.330 -1.917 -19.221
27 HE21 GLN 449 HE21 GLN 449 24.226 -3.407 -19.367
28 HE22 GLN 449 HE22 GLN 449 25.099 -2.294 -20.306
29 H PHE 450 HN PHE 450 19.266 -0.057 -15.771
30 HA PHE 450 HA PHE 450 20.689 1.577 -13.809
31 HB2 PHE 450 HB2 PHE 450 17.913 1.757 -14.996
32 HB3 PHE 450 HB1 PHE 450 18.528 2.863 -13.767
33 HD1 PHE 450 HD1 PHE 450 19.206 1.534 -17.188
34 HD2 PHE 450 HD2 PHE 450 19.930 4.678 -14.353
35 HE1 PHE 450 HE1 PHE 450 20.344 2.858 -18.949
36 HE2 PHE 450 HE2 PHE 450 21.069 6.003 -16.114
37 HZ PHE 450 HZ PHE 450 21.275 5.093 -18.412
38 H ILE 451 HN ILE 451 17.818 -0.520 -13.970
39 HA ILE 451 HA ILE 451 16.974 -0.332 -11.331
40 HB ILE 451 HB ILE 451 16.921 -2.722 -13.188
41 HG12 ILE 451 HG12 ILE 451 14.510 -1.115 -12.513
42 HG13 ILE 451 HG11 ILE 451 15.708 -0.328 -13.543
43 HG21 ILE 451 HG21 ILE 451 16.483 -3.701 -11.120
44 HG22 ILE 451 HG22 ILE 451 14.864 -3.197 -11.601
45 HG23 ILE 451 HG23 ILE 451 15.786 -2.223 -10.454
46 HD11 ILE 451 HD11 ILE 451 15.494 -1.932 -15.239
47 HD12 ILE 451 HD12 ILE 451 13.835 -1.769 -14.664
48 HD13 ILE 451 HD13 ILE 451 14.817 -3.138 -14.145
49 H ILE 452 HN ILE 452 18.985 -2.977 -12.651
50 HA ILE 452 HA ILE 452 19.681 -4.215 -10.298
51 HB ILE 452 HB ILE 452 21.734 -4.964 -11.458
52 HG12 ILE 452 HG12 ILE 452 20.873 -2.905 -13.516
53 HG13 ILE 452 HG11 ILE 452 22.342 -2.852 -12.539
54 HG21 ILE 452 HG21 ILE 452 19.411 -4.852 -13.396
55 HG22 ILE 452 HG22 ILE 452 19.407 -5.881 -11.962
56 HG23 ILE 452 HG23 ILE 452 20.613 -6.131 -13.224
57 HD11 ILE 452 HD11 ILE 452 22.868 -5.168 -13.575
58 HD12 ILE 452 HD12 ILE 452 23.077 -3.745 -14.597
59 HD13 ILE 452 HD13 ILE 452 21.640 -4.755 -14.772
60 H ALA 453 HN ALA 453 20.723 -1.133 -11.486
61 HA ALA 453 HA ALA 453 23.103 -0.862 -9.957
62 HB1 ALA 453 HB1 ALA 453 23.205 1.241 -10.834
63 HB2 ALA 453 HB2 ALA 453 21.501 1.567 -10.523
64 HB3 ALA 453 HB3 ALA 453 21.972 0.604 -11.922
65 H TYR 454 HN TYR 454 19.721 0.026 -9.351
66 HA TYR 454 HA TYR 454 20.398 0.962 -6.664
67 HB2 TYR 454 HB2 TYR 454 17.842 0.954 -8.273
68 HB3 TYR 454 HB1 TYR 454 17.907 1.450 -6.582
69 HD1 TYR 454 HD1 TYR 454 19.056 2.233 -10.009
70 HD2 TYR 454 HD2 TYR 454 18.956 3.524 -5.913
71 HE1 TYR 454 HE1 TYR 454 19.850 4.480 -10.697
72 HE2 TYR 454 HE2 TYR 454 19.750 5.770 -6.602
73 HH TYR 454 HH TYR 454 19.839 7.173 -8.539
74 H GLY 455 HN GLY 455 19.529 -1.913 -8.195
75 HA2 GLY 455 HA2 GLY 455 19.159 -4.018 -7.312
76 HA3 GLY 455 HA1 GLY 455 19.290 -3.318 -5.702
77 H GLY 456 HN GLY 456 17.063 -3.018 -8.484
78 HA2 GLY 456 HA2 GLY 456 14.774 -3.274 -8.615
79 HA3 GLY 456 HA1 GLY 456 14.829 -4.067 -7.043
80 H LEU 457 HN LEU 457 16.017 -1.966 -5.566
81 HA LEU 457 HA LEU 457 13.922 -0.574 -4.547
82 HB2 LEU 457 HB2 LEU 457 16.053 -0.459 -3.459
83 HB3 LEU 457 HB1 LEU 457 16.798 0.308 -4.858
84 HG LEU 457 HG LEU 457 15.547 2.340 -4.509
85 HD11 LEU 457 HD11 LEU 457 14.008 0.644 -2.543
86 HD12 LEU 457 HD12 LEU 457 13.386 1.619 -3.876
87 HD13 LEU 457 HD13 LEU 457 14.008 2.404 -2.425
88 HD21 LEU 457 HD21 LEU 457 16.396 3.030 -2.362
89 HD22 LEU 457 HD22 LEU 457 17.545 1.870 -3.029
90 HD23 LEU 457 HD23 LEU 457 16.411 1.368 -1.773
91 H ARG 458 HN ARG 458 16.192 0.931 -6.862
92 HA ARG 458 HA ARG 458 15.865 2.500 -8.508
93 HB2 ARG 458 HB2 ARG 458 14.002 0.771 -9.075
94 HB3 ARG 458 HB1 ARG 458 12.907 1.980 -8.402
95 HG2 ARG 458 HG2 ARG 458 12.940 2.692 -10.597
96 HG3 ARG 458 HG1 ARG 458 14.319 3.603 -9.981
97 HD2 ARG 458 HD2 ARG 458 15.723 1.531 -10.642
98 HD3 ARG 458 HD1 ARG 458 14.321 1.060 -11.601
99 HE ARG 458 HE ARG 458 16.145 3.247 -12.159
100 HH11 ARG 458 HH21 ARG 458 13.016 1.850 -12.643
101 HH12 ARG 458 HH22 ARG 458 12.731 2.667 -14.145
102 HH21 ARG 458 HH11 ARG 458 15.779 4.320 -14.127
103 HH22 ARG 458 HH12 ARG 458 14.296 4.065 -14.985
104 H GLY 459 HN GLY 459 16.141 3.523 -6.035
105 HA2 GLY 459 HA2 GLY 459 14.221 5.042 -4.826
106 HA3 GLY 459 HA1 GLY 459 15.893 5.572 -4.986
107 H ALA 460 HN ALA 460 15.625 5.539 -7.973
108 HA ALA 460 HA ALA 460 15.224 8.199 -8.498
109 HB1 ALA 460 HB1 ALA 460 14.272 6.997 -10.800
110 HB2 ALA 460 HB2 ALA 460 15.280 5.743 -10.080
111 HB3 ALA 460 HB3 ALA 460 15.966 7.328 -10.439
112 H ILE 461 HN ILE 461 12.847 5.855 -7.723
113 HA ILE 461 HA ILE 461 10.646 7.421 -8.833
114 HB ILE 461 HB ILE 461 10.886 4.745 -7.497
115 HG12 ILE 461 HG12 ILE 461 9.803 3.995 -9.535
116 HG13 ILE 461 HG11 ILE 461 9.471 5.659 -10.020
117 HG21 ILE 461 HG21 ILE 461 8.296 4.746 -7.763
118 HG22 ILE 461 HG22 ILE 461 8.450 6.502 -7.716
119 HG23 ILE 461 HG23 ILE 461 8.991 5.532 -6.345
120 HD11 ILE 461 HD11 ILE 461 11.752 6.116 -10.439
121 HD12 ILE 461 HD12 ILE 461 11.517 4.494 -11.089
122 HD13 ILE 461 HD13 ILE 461 12.292 4.710 -9.521
123 H ALA 462 HN ALA 462 11.768 6.292 -5.647
124 HA ALA 462 HA ALA 462 9.837 7.550 -4.071
125 HB1 ALA 462 HB1 ALA 462 11.157 6.094 -2.855
126 HB2 ALA 462 HB2 ALA 462 11.870 7.637 -2.386
127 HB3 ALA 462 HB3 ALA 462 12.650 6.643 -3.616
128 H PHE 463 HN PHE 463 12.690 8.835 -5.639
129 HA PHE 463 HA PHE 463 12.505 11.384 -4.241
130 HB2 PHE 463 HB2 PHE 463 14.698 11.330 -4.716
131 HB3 PHE 463 HB1 PHE 463 14.482 10.001 -5.854
132 HD1 PHE 463 HD1 PHE 463 14.292 13.696 -5.478
133 HD2 PHE 463 HD2 PHE 463 14.383 10.382 -8.208
134 HE1 PHE 463 HE1 PHE 463 14.596 15.266 -7.373
135 HE2 PHE 463 HE2 PHE 463 14.686 11.952 -10.105
136 HZ PHE 463 HZ PHE 463 14.793 14.395 -9.687
137 H SER 464 HN SER 464 12.104 10.160 -7.561
138 HA SER 464 HA SER 464 11.433 12.532 -8.839
139 HB2 SER 464 HB2 SER 464 11.762 10.535 -10.132
140 HB3 SER 464 HB1 SER 464 10.442 9.712 -9.305
141 HG SER 464 HG SER 464 10.396 11.507 -11.379
142 H LEU 465 HN LEU 465 9.435 10.406 -6.856
143 HA LEU 465 HA LEU 465 7.075 12.059 -7.337
144 HB2 LEU 465 HB2 LEU 465 6.177 9.999 -7.185
145 HB3 LEU 465 HB1 LEU 465 7.605 9.333 -6.411
146 HG LEU 465 HG LEU 465 5.571 11.025 -4.916
147 HD11 LEU 465 HD11 LEU 465 5.611 8.098 -5.572
148 HD12 LEU 465 HD12 LEU 465 4.248 9.218 -5.543
149 HD13 LEU 465 HD13 LEU 465 4.947 8.639 -4.030
150 HD21 LEU 465 HD21 LEU 465 6.925 8.998 -3.381
151 HD22 LEU 465 HD22 LEU 465 6.996 10.748 -3.177
152 HD23 LEU 465 HD23 LEU 465 8.133 9.939 -4.255
153 H GLY 466 HN GLY 466 9.588 11.596 -5.002
154 HA2 GLY 466 HA2 GLY 466 8.155 13.067 -2.917
155 HA3 GLY 466 HA1 GLY 466 9.751 12.335 -2.770
156 H TYR 467 HN TYR 467 9.763 13.897 -5.655
157 HA TYR 467 HA TYR 467 11.259 16.147 -4.544
158 HB2 TYR 467 HB2 TYR 467 12.479 15.341 -6.315
159 HB3 TYR 467 HB1 TYR 467 11.047 14.821 -7.203
160 HD1 TYR 467 HD1 TYR 467 12.859 17.888 -6.061
161 HD2 TYR 467 HD2 TYR 467 10.152 16.165 -8.916
162 HE1 TYR 467 HE1 TYR 467 12.907 19.990 -7.376
163 HE2 TYR 467 HE2 TYR 467 10.200 18.267 -10.230
164 HH TYR 467 HH TYR 467 12.443 20.844 -9.491
165 H LEU 468 HN LEU 468 8.339 15.501 -6.417
166 HA LEU 468 HA LEU 468 7.745 18.184 -7.096
167 HB2 LEU 468 HB2 LEU 468 5.854 15.852 -6.705
168 HB3 LEU 468 HB1 LEU 468 5.483 17.354 -7.553
169 HG LEU 468 HG LEU 468 7.895 15.812 -8.420
170 HD11 LEU 468 HD11 LEU 468 5.028 15.062 -9.042
171 HD12 LEU 468 HD12 LEU 468 6.246 14.048 -8.267
172 HD13 LEU 468 HD13 LEU 468 6.419 14.495 -9.965
173 HD21 LEU 468 HD21 LEU 468 7.570 16.951 -10.415
174 HD22 LEU 468 HD22 LEU 468 6.878 18.110 -9.279
175 HD23 LEU 468 HD23 LEU 468 5.822 17.039 -10.200
176 H LEU 469 HN LEU 469 5.714 16.259 -4.918
177 HA LEU 469 HA LEU 469 4.502 18.312 -3.571
178 HB2 LEU 469 HB2 LEU 469 4.151 16.730 -1.711
179 HB3 LEU 469 HB1 LEU 469 3.871 15.961 -3.274
180 HG LEU 469 HG LEU 469 6.576 15.556 -2.882
181 HD11 LEU 469 HD11 LEU 469 5.209 14.964 -0.249
182 HD12 LEU 469 HD12 LEU 469 6.157 16.429 -0.512
183 HD13 LEU 469 HD13 LEU 469 6.928 14.846 -0.631
184 HD21 LEU 469 HD21 LEU 469 4.993 13.896 -3.728
185 HD22 LEU 469 HD22 LEU 469 4.222 13.786 -2.146
186 HD23 LEU 469 HD23 LEU 469 5.875 13.211 -2.362
187 H ASP 470 HN ASP 470 7.793 17.409 -3.413
188 HA ASP 470 HA ASP 470 8.320 18.522 -0.798
189 HB2 ASP 470 HB2 ASP 470 9.880 16.893 -1.321
190 HB3 ASP 470 HB1 ASP 470 9.974 17.377 -3.014
191 H LYS 471 HN LYS 471 8.626 19.555 -4.162
192 HA LYS 471 HA LYS 471 9.545 22.208 -3.257
193 HB2 LYS 471 HB2 LYS 471 9.573 20.903 -5.988
194 HB3 LYS 471 HB1 LYS 471 10.085 22.562 -5.671
195 HG2 LYS 471 HG2 LYS 471 11.350 20.799 -3.777
196 HG3 LYS 471 HG1 LYS 471 11.634 20.202 -5.411
197 HD2 LYS 471 HD2 LYS 471 12.416 22.450 -6.091
198 HD3 LYS 471 HD1 LYS 471 12.159 23.029 -4.444
199 HE2 LYS 471 HE2 LYS 471 14.398 22.480 -4.302
200 HE3 LYS 471 HE1 LYS 471 13.692 20.925 -3.858
201 HZ1 LYS 471 HZ1 LYS 471 13.957 21.314 -6.696
202 HZ2 LYS 471 HZ2 LYS 471 14.401 19.985 -5.736
203 HZ3 LYS 471 HZ3 LYS 471 15.441 21.322 -5.877
204 H LYS 472 HN LYS 472 7.182 20.661 -5.426
205 HA LYS 472 HA LYS 472 5.782 23.086 -6.002
206 HB2 LYS 472 HB2 LYS 472 5.015 20.177 -6.316
207 HB3 LYS 472 HB1 LYS 472 4.023 21.521 -6.883
208 HG2 LYS 472 HG2 LYS 472 6.820 21.762 -7.713
209 HG3 LYS 472 HG1 LYS 472 6.052 20.297 -8.327
210 HD2 LYS 472 HD2 LYS 472 4.215 21.612 -9.263
211 HD3 LYS 472 HD1 LYS 472 4.897 23.089 -8.583
212 HE2 LYS 472 HE2 LYS 472 6.341 21.312 -10.569
213 HE3 LYS 472 HE1 LYS 472 5.446 22.766 -11.011
214 HZ1 LYS 472 HZ1 LYS 472 7.880 23.088 -10.672
215 HZ2 LYS 472 HZ2 LYS 472 7.645 22.744 -9.025
216 HZ3 LYS 472 HZ3 LYS 472 6.898 24.098 -9.727
217 HN1 NH2 473 H1 NH2 473 6.006 23.057 -3.212
218 HN2 NH2 473 H2 NH2 473 4.476 22.792 -2.524
Start of MODEL 16
1 H1 ACE 446 HA2 ACE 446 20.098 0.184 -21.031
2 H2 ACE 446 HA3 ACE 446 20.090 1.900 -21.439
3 H3 ACE 446 HA1 ACE 446 19.046 0.781 -22.314
4 H LYS 447 HN LYS 447 18.480 -0.657 -19.727
5 HA LYS 447 HA LYS 447 16.968 1.312 -18.191
6 HB2 LYS 447 HB2 LYS 447 15.534 0.535 -20.159
7 HB3 LYS 447 HB1 LYS 447 15.517 -1.050 -19.382
8 HG2 LYS 447 HG2 LYS 447 14.772 0.247 -17.255
9 HG3 LYS 447 HG1 LYS 447 14.374 1.551 -18.376
10 HD2 LYS 447 HD2 LYS 447 12.370 0.463 -18.513
11 HD3 LYS 447 HD1 LYS 447 13.238 -0.557 -19.661
12 HE2 LYS 447 HE2 LYS 447 12.295 -2.116 -18.170
13 HE3 LYS 447 HE1 LYS 447 13.943 -1.930 -17.567
14 HZ1 LYS 447 HZ1 LYS 447 13.099 -0.252 -16.003
15 HZ2 LYS 447 HZ2 LYS 447 12.403 -1.781 -15.751
16 HZ3 LYS 447 HZ3 LYS 447 11.519 -0.561 -16.535
17 H ASP 448 HN ASP 448 17.921 -2.043 -18.725
18 HA ASP 448 HA ASP 448 17.196 -2.919 -16.084
19 HB2 ASP 448 HB2 ASP 448 18.585 -4.098 -18.441
20 HB3 ASP 448 HB1 ASP 448 18.875 -4.835 -16.866
21 H GLN 449 HN GLN 449 20.082 -1.654 -17.628
22 HA GLN 449 HA GLN 449 21.961 -2.367 -15.646
23 HB2 GLN 449 HB2 GLN 449 21.878 -0.129 -17.669
24 HB3 GLN 449 HB1 GLN 449 23.246 -0.373 -16.583
25 HG2 GLN 449 HG2 GLN 449 22.368 -2.839 -17.911
26 HG3 GLN 449 HG1 GLN 449 22.925 -1.602 -19.037
27 HE21 GLN 449 HE21 GLN 449 25.027 -2.344 -19.537
28 HE22 GLN 449 HE22 GLN 449 26.227 -2.634 -18.371
29 H PHE 450 HN PHE 450 19.441 -0.045 -15.677
30 HA PHE 450 HA PHE 450 20.619 1.568 -13.545
31 HB2 PHE 450 HB2 PHE 450 17.915 1.766 -14.891
32 HB3 PHE 450 HB1 PHE 450 18.597 2.938 -13.764
33 HD1 PHE 450 HD1 PHE 450 19.046 1.359 -17.098
34 HD2 PHE 450 HD2 PHE 450 20.226 4.542 -14.465
35 HE1 PHE 450 HE1 PHE 450 20.244 2.463 -18.969
36 HE2 PHE 450 HE2 PHE 450 21.423 5.645 -16.336
37 HZ PHE 450 HZ PHE 450 21.432 4.606 -18.588
38 H ILE 451 HN ILE 451 18.238 -0.946 -14.021
39 HA ILE 451 HA ILE 451 16.951 -0.676 -11.483
40 HB ILE 451 HB ILE 451 17.048 -2.834 -13.577
41 HG12 ILE 451 HG12 ILE 451 14.595 -1.531 -12.445
42 HG13 ILE 451 HG11 ILE 451 15.614 -0.602 -13.547
43 HG21 ILE 451 HG21 ILE 451 16.024 -2.966 -10.756
44 HG22 ILE 451 HG22 ILE 451 16.864 -4.201 -11.692
45 HG23 ILE 451 HG23 ILE 451 15.173 -3.835 -12.032
46 HD11 ILE 451 HD11 ILE 451 15.170 -1.981 -15.347
47 HD12 ILE 451 HD12 ILE 451 13.651 -2.150 -14.466
48 HD13 ILE 451 HD13 ILE 451 14.893 -3.394 -14.329
49 H ILE 452 HN ILE 452 19.206 -3.161 -12.716
50 HA ILE 452 HA ILE 452 19.668 -4.433 -10.269
51 HB ILE 452 HB ILE 452 21.697 -5.332 -11.316
52 HG12 ILE 452 HG12 ILE 452 21.712 -4.297 -13.886
53 HG13 ILE 452 HG11 ILE 452 21.418 -2.870 -12.891
54 HG21 ILE 452 HG21 ILE 452 20.595 -6.525 -13.005
55 HG22 ILE 452 HG22 ILE 452 19.662 -5.121 -13.521
56 HG23 ILE 452 HG23 ILE 452 19.251 -5.949 -12.019
57 HD11 ILE 452 HD11 ILE 452 23.835 -3.241 -13.183
58 HD12 ILE 452 HD12 ILE 452 23.674 -4.860 -12.500
59 HD13 ILE 452 HD13 ILE 452 23.374 -3.443 -11.493
60 H ALA 453 HN ALA 453 21.009 -1.502 -11.618
61 HA ALA 453 HA ALA 453 23.189 -1.298 -9.756
62 HB1 ALA 453 HB1 ALA 453 23.431 -0.164 -11.849
63 HB2 ALA 453 HB2 ALA 453 23.272 1.083 -10.611
64 HB3 ALA 453 HB3 ALA 453 21.895 0.680 -11.638
65 H TYR 454 HN TYR 454 19.828 -0.636 -9.657
66 HA TYR 454 HA TYR 454 20.051 1.295 -7.477
67 HB2 TYR 454 HB2 TYR 454 17.999 0.485 -9.378
68 HB3 TYR 454 HB1 TYR 454 17.377 0.576 -7.731
69 HD1 TYR 454 HD2 TYR 454 19.877 2.510 -9.763
70 HD2 TYR 454 HD1 TYR 454 16.410 2.639 -7.226
71 HE1 TYR 454 HE2 TYR 454 19.858 4.985 -9.913
72 HE2 TYR 454 HE1 TYR 454 16.392 5.113 -7.378
73 HH TYR 454 HH TYR 454 17.421 6.840 -9.354
74 H GLY 455 HN GLY 455 19.052 -2.045 -8.039
75 HA2 GLY 455 HA2 GLY 455 19.587 -3.641 -6.230
76 HA3 GLY 455 HA1 GLY 455 18.950 -2.449 -5.104
77 H GLY 456 HN GLY 456 17.409 -2.966 -8.180
78 HA2 GLY 456 HA2 GLY 456 15.195 -3.495 -8.623
79 HA3 GLY 456 HA1 GLY 456 15.652 -5.002 -7.834
80 H LEU 457 HN LEU 457 15.534 -1.866 -6.240
81 HA LEU 457 HA LEU 457 13.744 -2.925 -4.225
82 HB2 LEU 457 HB2 LEU 457 13.982 -0.589 -3.265
83 HB3 LEU 457 HB1 LEU 457 15.483 -1.503 -3.420
84 HG LEU 457 HG LEU 457 14.932 -0.060 -5.869
85 HD11 LEU 457 HD11 LEU 457 13.735 1.545 -4.513
86 HD12 LEU 457 HD12 LEU 457 15.322 2.226 -4.875
87 HD13 LEU 457 HD13 LEU 457 15.003 1.526 -3.287
88 HD21 LEU 457 HD21 LEU 457 17.130 -0.935 -5.183
89 HD22 LEU 457 HD22 LEU 457 17.127 0.132 -3.777
90 HD23 LEU 457 HD23 LEU 457 17.208 0.814 -5.401
91 H ARG 458 HN ARG 458 13.582 -0.678 -6.927
92 HA ARG 458 HA ARG 458 11.833 0.584 -7.769
93 HB2 ARG 458 HB2 ARG 458 11.244 -2.181 -7.780
94 HB3 ARG 458 HB1 ARG 458 9.752 -1.352 -7.336
95 HG2 ARG 458 HG2 ARG 458 9.850 -1.500 -9.756
96 HG3 ARG 458 HG1 ARG 458 10.094 0.184 -9.291
97 HD2 ARG 458 HD2 ARG 458 12.652 -1.021 -9.273
98 HD3 ARG 458 HD1 ARG 458 11.864 -1.563 -10.753
99 HE ARG 458 HE ARG 458 11.360 1.102 -10.759
100 HH11 ARG 458 HH21 ARG 458 14.208 -0.801 -10.264
101 HH12 ARG 458 HH22 ARG 458 15.284 0.388 -10.919
102 HH21 ARG 458 HH11 ARG 458 12.765 2.666 -11.620
103 HH22 ARG 458 HH12 ARG 458 14.467 2.351 -11.687
104 H GLY 459 HN GLY 459 12.226 0.565 -4.742
105 HA2 GLY 459 HA2 GLY 459 9.486 1.279 -3.907
106 HA3 GLY 459 HA1 GLY 459 10.810 0.881 -2.818
107 H ALA 460 HN ALA 460 11.632 2.872 -5.477
108 HA ALA 460 HA ALA 460 11.407 5.315 -3.832
109 HB1 ALA 460 HB1 ALA 460 13.830 4.177 -5.189
110 HB2 ALA 460 HB2 ALA 460 13.680 4.867 -3.572
111 HB3 ALA 460 HB3 ALA 460 13.669 5.921 -4.987
112 H ILE 461 HN ILE 461 11.478 3.806 -6.981
113 HA ILE 461 HA ILE 461 11.114 6.325 -8.382
114 HB ILE 461 HB ILE 461 11.194 3.440 -9.264
115 HG12 ILE 461 HG12 ILE 461 13.207 4.239 -10.466
116 HG13 ILE 461 HG11 ILE 461 12.947 5.858 -9.816
117 HG21 ILE 461 HG21 ILE 461 11.242 4.751 -11.590
118 HG22 ILE 461 HG22 ILE 461 10.254 5.895 -10.679
119 HG23 ILE 461 HG23 ILE 461 9.725 4.222 -10.862
120 HD11 ILE 461 HD11 ILE 461 13.118 3.534 -7.925
121 HD12 ILE 461 HD12 ILE 461 13.522 5.228 -7.649
122 HD13 ILE 461 HD13 ILE 461 14.602 4.207 -8.598
123 H ALA 462 HN ALA 462 9.204 3.391 -7.733
124 HA ALA 462 HA ALA 462 6.861 3.977 -9.034
125 HB1 ALA 462 HB1 ALA 462 7.393 2.613 -6.407
126 HB2 ALA 462 HB2 ALA 462 6.935 1.897 -7.952
127 HB3 ALA 462 HB3 ALA 462 5.748 2.801 -7.014
128 H PHE 463 HN PHE 463 8.148 5.465 -6.149
129 HA PHE 463 HA PHE 463 5.660 6.903 -5.616
130 HB2 PHE 463 HB2 PHE 463 6.490 6.660 -3.536
131 HB3 PHE 463 HB1 PHE 463 8.103 6.278 -4.141
132 HD1 PHE 463 HD1 PHE 463 5.797 9.012 -3.198
133 HD2 PHE 463 HD2 PHE 463 9.783 7.992 -4.429
134 HE1 PHE 463 HE1 PHE 463 6.565 11.294 -2.603
135 HE2 PHE 463 HE2 PHE 463 10.551 10.274 -3.835
136 HZ PHE 463 HZ PHE 463 8.943 11.924 -2.921
137 H SER 464 HN SER 464 8.911 7.479 -6.851
138 HA SER 464 HA SER 464 8.907 10.276 -6.889
139 HB2 SER 464 HB2 SER 464 10.170 8.409 -8.908
140 HB3 SER 464 HB1 SER 464 10.613 10.090 -8.628
141 HG SER 464 HG SER 464 10.647 8.927 -6.285
142 H LEU 465 HN LEU 465 7.638 7.943 -9.239
143 HA LEU 465 HA LEU 465 6.751 10.068 -11.017
144 HB2 LEU 465 HB2 LEU 465 6.023 8.300 -12.481
145 HB3 LEU 465 HB1 LEU 465 7.617 7.868 -11.862
146 HG LEU 465 HG LEU 465 5.943 6.792 -9.953
147 HD11 LEU 465 HD11 LEU 465 4.104 5.728 -11.012
148 HD12 LEU 465 HD12 LEU 465 4.706 6.113 -12.625
149 HD13 LEU 465 HD13 LEU 465 4.050 7.389 -11.600
150 HD21 LEU 465 HD21 LEU 465 7.815 5.581 -10.792
151 HD22 LEU 465 HD22 LEU 465 7.205 5.634 -12.446
152 HD23 LEU 465 HD23 LEU 465 6.408 4.619 -11.244
153 H GLY 466 HN GLY 466 5.494 8.146 -8.434
154 HA2 GLY 466 HA2 GLY 466 2.709 8.711 -9.114
155 HA3 GLY 466 HA1 GLY 466 3.279 7.746 -7.754
156 H TYR 467 HN TYR 467 5.136 10.463 -7.792
157 HA TYR 467 HA TYR 467 3.585 11.667 -5.624
158 HB2 TYR 467 HB2 TYR 467 5.789 11.523 -4.939
159 HB3 TYR 467 HB1 TYR 467 6.423 11.823 -6.558
160 HD1 TYR 467 HD1 TYR 467 4.690 13.433 -3.677
161 HD2 TYR 467 HD2 TYR 467 6.947 14.023 -7.282
162 HE1 TYR 467 HE1 TYR 467 4.915 15.844 -3.141
163 HE2 TYR 467 HE2 TYR 467 7.169 16.435 -6.750
164 HH TYR 467 HH TYR 467 6.193 17.729 -3.658
165 H LEU 468 HN LEU 468 4.851 12.460 -8.827
166 HA LEU 468 HA LEU 468 4.196 15.203 -8.828
167 HB2 LEU 468 HB2 LEU 468 4.306 13.295 -11.177
168 HB3 LEU 468 HB1 LEU 468 4.377 15.054 -11.265
169 HG LEU 468 HG LEU 468 6.352 13.644 -9.509
170 HD11 LEU 468 HD11 LEU 468 6.490 12.340 -11.546
171 HD12 LEU 468 HD12 LEU 468 7.868 13.439 -11.496
172 HD13 LEU 468 HD13 LEU 468 6.487 13.803 -12.531
173 HD21 LEU 468 HD21 LEU 468 7.756 15.535 -10.226
174 HD22 LEU 468 HD22 LEU 468 6.213 16.118 -9.602
175 HD23 LEU 468 HD23 LEU 468 6.496 16.060 -11.341
176 H LEU 469 HN LEU 469 2.546 12.893 -10.948
177 HA LEU 469 HA LEU 469 0.243 14.276 -11.395
178 HB2 LEU 469 HB2 LEU 469 -0.872 12.104 -11.777
179 HB3 LEU 469 HB1 LEU 469 0.737 12.147 -12.496
180 HG LEU 469 HG LEU 469 1.248 11.231 -9.940
181 HD11 LEU 469 HD11 LEU 469 -1.225 9.797 -10.938
182 HD12 LEU 469 HD12 LEU 469 -1.270 11.025 -9.674
183 HD13 LEU 469 HD13 LEU 469 -0.370 9.530 -9.419
184 HD21 LEU 469 HD21 LEU 469 0.702 9.709 -12.507
185 HD22 LEU 469 HD22 LEU 469 1.482 9.002 -11.092
186 HD23 LEU 469 HD23 LEU 469 2.258 10.330 -11.955
187 H ASP 470 HN ASP 470 1.240 12.837 -8.441
188 HA ASP 470 HA ASP 470 -1.348 12.608 -7.230
189 HB2 ASP 470 HB2 ASP 470 1.452 12.236 -6.435
190 HB3 ASP 470 HB1 ASP 470 0.421 12.851 -5.144
191 H LYS 471 HN LYS 471 1.257 15.021 -7.122
192 HA LYS 471 HA LYS 471 -0.446 16.815 -5.548
193 HB2 LYS 471 HB2 LYS 471 2.461 16.894 -6.360
194 HB3 LYS 471 HB1 LYS 471 1.653 18.263 -5.596
195 HG2 LYS 471 HG2 LYS 471 1.190 15.681 -4.250
196 HG3 LYS 471 HG1 LYS 471 2.868 16.223 -4.225
197 HD2 LYS 471 HD2 LYS 471 2.290 18.287 -3.172
198 HD3 LYS 471 HD1 LYS 471 0.570 18.040 -3.475
199 HE2 LYS 471 HE2 LYS 471 2.215 16.169 -1.757
200 HE3 LYS 471 HE1 LYS 471 1.339 17.549 -1.097
201 HZ1 LYS 471 HZ1 LYS 471 -0.094 15.710 -0.920
202 HZ2 LYS 471 HZ2 LYS 471 0.228 15.193 -2.506
203 HZ3 LYS 471 HZ3 LYS 471 -0.674 16.607 -2.238
204 H LYS 472 HN LYS 472 1.371 16.800 -8.613
205 HA LYS 472 HA LYS 472 0.395 19.325 -9.496
206 HB2 LYS 472 HB2 LYS 472 1.930 17.074 -10.675
207 HB3 LYS 472 HB1 LYS 472 1.081 18.127 -11.807
208 HG2 LYS 472 HG2 LYS 472 2.737 19.320 -9.595
209 HG3 LYS 472 HG1 LYS 472 3.516 18.753 -11.073
210 HD2 LYS 472 HD2 LYS 472 1.096 20.441 -11.435
211 HD3 LYS 472 HD1 LYS 472 2.528 21.257 -10.806
212 HE2 LYS 472 HE2 LYS 472 2.279 21.172 -13.364
213 HE3 LYS 472 HE1 LYS 472 3.832 20.665 -12.700
214 HZ1 LYS 472 HZ1 LYS 472 3.248 19.014 -14.225
215 HZ2 LYS 472 HZ2 LYS 472 1.631 18.968 -13.707
216 HZ3 LYS 472 HZ3 LYS 472 2.861 18.345 -12.715
217 HN1 NH2 473 H1 NH2 473 -1.379 16.576 -8.986
218 HN2 NH2 473 H2 NH2 473 -2.565 16.782 -10.183
Start of MODEL 17
1 H1 ACE 446 HA2 ACE 446 19.945 1.647 -20.665
2 H2 ACE 446 HA3 ACE 446 20.938 1.199 -19.279
3 H3 ACE 446 HA1 ACE 446 20.544 2.893 -19.571
4 H LYS 447 HN LYS 447 18.310 0.182 -19.890
5 HA LYS 447 HA LYS 447 16.632 1.392 -17.789
6 HB2 LYS 447 HB2 LYS 447 15.861 0.855 -20.256
7 HB3 LYS 447 HB1 LYS 447 15.657 -0.773 -19.607
8 HG2 LYS 447 HG2 LYS 447 14.420 0.473 -17.647
9 HG3 LYS 447 HG1 LYS 447 14.239 1.760 -18.840
10 HD2 LYS 447 HD2 LYS 447 12.335 0.549 -19.320
11 HD3 LYS 447 HD1 LYS 447 13.473 -0.285 -20.380
12 HE2 LYS 447 HE2 LYS 447 13.890 -1.948 -18.576
13 HE3 LYS 447 HE1 LYS 447 12.678 -1.141 -17.581
14 HZ1 LYS 447 HZ1 LYS 447 11.897 -1.909 -20.285
15 HZ2 LYS 447 HZ2 LYS 447 10.986 -1.898 -18.852
16 HZ3 LYS 447 HZ3 LYS 447 12.084 -3.159 -19.154
17 H ASP 448 HN ASP 448 17.944 -1.712 -18.902
18 HA ASP 448 HA ASP 448 17.002 -3.069 -16.501
19 HB2 ASP 448 HB2 ASP 448 18.276 -3.886 -19.070
20 HB3 ASP 448 HB1 ASP 448 18.500 -4.934 -17.671
21 H GLN 449 HN GLN 449 19.811 -1.434 -17.614
22 HA GLN 449 HA GLN 449 21.579 -2.745 -15.688
23 HB2 GLN 449 HB2 GLN 449 21.910 -1.148 -18.101
24 HB3 GLN 449 HB1 GLN 449 22.942 -0.585 -16.787
25 HG2 GLN 449 HG2 GLN 449 22.732 -3.496 -17.585
26 HG3 GLN 449 HG1 GLN 449 23.951 -2.405 -18.244
27 HE21 GLN 449 HE21 GLN 449 23.272 -4.511 -15.636
28 HE22 GLN 449 HE22 GLN 449 24.536 -4.022 -14.612
29 H PHE 450 HN PHE 450 19.346 -0.271 -15.669
30 HA PHE 450 HA PHE 450 20.795 1.433 -13.789
31 HB2 PHE 450 HB2 PHE 450 19.494 2.999 -14.721
32 HB3 PHE 450 HB1 PHE 450 18.583 1.770 -15.597
33 HD1 PHE 450 HD1 PHE 450 18.906 3.342 -12.214
34 HD2 PHE 450 HD2 PHE 450 16.358 1.304 -15.008
35 HE1 PHE 450 HE1 PHE 450 16.967 3.704 -10.710
36 HE2 PHE 450 HE2 PHE 450 14.419 1.666 -13.505
37 HZ PHE 450 HZ PHE 450 14.724 2.867 -11.357
38 H ILE 451 HN ILE 451 18.136 -0.878 -13.864
39 HA ILE 451 HA ILE 451 17.203 -0.441 -11.219
40 HB ILE 451 HB ILE 451 17.017 -2.786 -13.111
41 HG12 ILE 451 HG12 ILE 451 14.851 -0.989 -11.994
42 HG13 ILE 451 HG11 ILE 451 15.737 -0.595 -13.468
43 HG21 ILE 451 HG21 ILE 451 15.143 -3.381 -11.303
44 HG22 ILE 451 HG22 ILE 451 16.264 -2.547 -10.228
45 HG23 ILE 451 HG23 ILE 451 16.800 -3.961 -11.132
46 HD11 ILE 451 HD11 ILE 451 14.827 -2.372 -14.656
47 HD12 ILE 451 HD12 ILE 451 13.476 -1.963 -13.599
48 HD13 ILE 451 HD13 ILE 451 14.526 -3.323 -13.201
49 H ILE 452 HN ILE 452 19.337 -2.959 -12.569
50 HA ILE 452 HA ILE 452 19.986 -4.278 -10.214
51 HB ILE 452 HB ILE 452 21.363 -3.873 -12.838
52 HG12 ILE 452 HG12 ILE 452 21.165 -6.330 -12.881
53 HG13 ILE 452 HG11 ILE 452 20.533 -6.313 -11.234
54 HG21 ILE 452 HG21 ILE 452 22.638 -4.945 -10.319
55 HG22 ILE 452 HG22 ILE 452 23.298 -3.786 -11.473
56 HG23 ILE 452 HG23 ILE 452 23.153 -5.485 -11.916
57 HD11 ILE 452 HD11 ILE 452 19.184 -4.618 -13.303
58 HD12 ILE 452 HD12 ILE 452 18.501 -5.396 -11.876
59 HD13 ILE 452 HD13 ILE 452 18.881 -6.356 -13.305
60 H ALA 453 HN ALA 453 21.052 -1.188 -11.413
61 HA ALA 453 HA ALA 453 23.344 -0.912 -9.735
62 HB1 ALA 453 HB1 ALA 453 22.675 0.426 -11.865
63 HB2 ALA 453 HB2 ALA 453 23.484 1.275 -10.547
64 HB3 ALA 453 HB3 ALA 453 21.737 1.417 -10.746
65 H TYR 454 HN TYR 454 19.931 -0.022 -9.420
66 HA TYR 454 HA TYR 454 20.395 0.429 -6.544
67 HB2 TYR 454 HB2 TYR 454 18.626 2.201 -8.234
68 HB3 TYR 454 HB1 TYR 454 19.059 2.422 -6.540
69 HD1 TYR 454 HD1 TYR 454 21.749 2.302 -6.144
70 HD2 TYR 454 HD2 TYR 454 19.786 3.529 -9.762
71 HE1 TYR 454 HE1 TYR 454 23.776 3.566 -6.816
72 HE2 TYR 454 HE2 TYR 454 21.811 4.793 -10.433
73 HH TYR 454 HH TYR 454 24.811 4.546 -8.630
74 H GLY 455 HN GLY 455 17.644 0.593 -8.817
75 HA2 GLY 455 HA2 GLY 455 15.629 -0.292 -7.211
76 HA3 GLY 455 HA1 GLY 455 15.712 -0.680 -8.927
77 H GLY 456 HN GLY 456 18.376 -2.088 -8.163
78 HA2 GLY 456 HA2 GLY 456 17.108 -4.639 -7.371
79 HA3 GLY 456 HA1 GLY 456 18.550 -4.501 -8.372
80 H LEU 457 HN LEU 457 20.423 -3.323 -7.268
81 HA LEU 457 HA LEU 457 21.245 -4.753 -5.010
82 HB2 LEU 457 HB2 LEU 457 22.904 -3.721 -6.390
83 HB3 LEU 457 HB1 LEU 457 22.188 -2.126 -6.175
84 HG LEU 457 HG LEU 457 22.848 -2.055 -3.855
85 HD11 LEU 457 HD11 LEU 457 24.240 -4.079 -3.001
86 HD12 LEU 457 HD12 LEU 457 23.468 -4.974 -4.310
87 HD13 LEU 457 HD13 LEU 457 22.485 -4.243 -3.041
88 HD21 LEU 457 HD21 LEU 457 25.114 -3.224 -5.501
89 HD22 LEU 457 HD22 LEU 457 25.289 -2.224 -4.058
90 HD23 LEU 457 HD23 LEU 457 24.603 -1.535 -5.530
91 H ARG 458 HN ARG 458 20.783 -1.226 -4.989
92 HA ARG 458 HA ARG 458 20.614 -0.774 -2.318
93 HB2 ARG 458 HB2 ARG 458 20.521 1.105 -3.742
94 HB3 ARG 458 HB1 ARG 458 19.102 0.509 -4.592
95 HG2 ARG 458 HG2 ARG 458 18.949 1.019 -1.631
96 HG3 ARG 458 HG1 ARG 458 18.865 2.383 -2.737
97 HD2 ARG 458 HD2 ARG 458 16.707 1.936 -3.189
98 HD3 ARG 458 HD1 ARG 458 17.090 0.285 -3.660
99 HE ARG 458 HE ARG 458 17.102 0.554 -0.822
100 HH11 ARG 458 HH21 ARG 458 15.039 0.400 -3.595
101 HH12 ARG 458 HH22 ARG 458 13.712 -0.312 -2.739
102 HH21 ARG 458 HH11 ARG 458 15.373 -0.390 0.304
103 HH22 ARG 458 HH12 ARG 458 13.901 -0.759 -0.531
104 H GLY 459 HN GLY 459 18.348 -2.489 -4.264
105 HA2 GLY 459 HA2 GLY 459 16.067 -2.264 -2.564
106 HA3 GLY 459 HA1 GLY 459 16.311 -3.469 -3.822
107 H ALA 460 HN ALA 460 18.249 -2.798 -0.923
108 HA ALA 460 HA ALA 460 17.314 -5.157 0.447
109 HB1 ALA 460 HB1 ALA 460 19.529 -5.386 -1.361
110 HB2 ALA 460 HB2 ALA 460 18.794 -6.631 -0.350
111 HB3 ALA 460 HB3 ALA 460 20.097 -5.629 0.290
112 H ILE 461 HN ILE 461 19.536 -2.463 0.185
113 HA ILE 461 HA ILE 461 20.606 -2.634 2.815
114 HB ILE 461 HB ILE 461 20.436 -0.434 0.768
115 HG12 ILE 461 HG12 ILE 461 22.892 -0.756 0.767
116 HG13 ILE 461 HG11 ILE 461 22.723 -1.999 2.008
117 HG21 ILE 461 HG21 ILE 461 21.282 -0.322 3.648
118 HG22 ILE 461 HG22 ILE 461 20.384 0.868 2.705
119 HG23 ILE 461 HG23 ILE 461 22.119 0.672 2.456
120 HD11 ILE 461 HD11 ILE 461 21.665 -3.498 0.550
121 HD12 ILE 461 HD12 ILE 461 22.867 -2.737 -0.493
122 HD13 ILE 461 HD13 ILE 461 21.182 -2.219 -0.567
123 H ALA 462 HN ALA 462 17.948 -0.744 1.396
124 HA ALA 462 HA ALA 462 17.253 0.586 3.815
125 HB1 ALA 462 HB1 ALA 462 15.848 1.711 2.475
126 HB2 ALA 462 HB2 ALA 462 15.033 0.229 1.972
127 HB3 ALA 462 HB3 ALA 462 16.498 0.758 1.142
128 H PHE 463 HN PHE 463 16.340 -2.474 2.371
129 HA PHE 463 HA PHE 463 14.178 -2.924 4.253
130 HB2 PHE 463 HB2 PHE 463 13.567 -4.162 2.471
131 HB3 PHE 463 HB1 PHE 463 15.211 -4.209 1.832
132 HD1 PHE 463 HD1 PHE 463 16.844 -5.885 2.690
133 HD2 PHE 463 HD2 PHE 463 12.710 -5.933 3.853
134 HE1 PHE 463 HE1 PHE 463 17.104 -8.209 3.518
135 HE2 PHE 463 HE2 PHE 463 12.969 -8.257 4.681
136 HZ PHE 463 HZ PHE 463 15.166 -9.394 4.513
137 H SER 464 HN SER 464 17.482 -4.093 3.725
138 HA SER 464 HA SER 464 17.533 -6.061 5.729
139 HB2 SER 464 HB2 SER 464 19.309 -5.976 4.116
140 HB3 SER 464 HB1 SER 464 19.727 -4.330 4.578
141 HG SER 464 HG SER 464 21.028 -6.102 5.504
142 H LEU 465 HN LEU 465 17.644 -2.601 5.905
143 HA LEU 465 HA LEU 465 18.773 -2.477 8.557
144 HB2 LEU 465 HB2 LEU 465 17.992 -0.609 6.485
145 HB3 LEU 465 HB1 LEU 465 17.388 -0.092 8.059
146 HG LEU 465 HG LEU 465 19.651 -0.343 9.012
147 HD11 LEU 465 HD11 LEU 465 20.066 -1.748 6.510
148 HD12 LEU 465 HD12 LEU 465 21.081 -1.724 7.952
149 HD13 LEU 465 HD13 LEU 465 21.272 -0.476 6.718
150 HD21 LEU 465 HD21 LEU 465 19.820 1.826 8.420
151 HD22 LEU 465 HD22 LEU 465 18.854 1.547 6.972
152 HD23 LEU 465 HD23 LEU 465 20.601 1.307 6.926
153 H GLY 466 HN GLY 466 15.560 -1.535 7.306
154 HA2 GLY 466 HA2 GLY 466 14.317 -1.421 9.838
155 HA3 GLY 466 HA1 GLY 466 13.481 -1.550 8.294
156 H TYR 467 HN TYR 467 15.119 -4.076 7.785
157 HA TYR 467 HA TYR 467 13.184 -5.969 8.476
158 HB2 TYR 467 HB2 TYR 467 14.537 -6.783 6.818
159 HB3 TYR 467 HB1 TYR 467 15.994 -6.063 7.503
160 HD1 TYR 467 HD2 TYR 467 13.472 -8.761 8.091
161 HD2 TYR 467 HD1 TYR 467 17.470 -7.359 8.803
162 HE1 TYR 467 HE2 TYR 467 14.043 -10.928 9.155
163 HE2 TYR 467 HE1 TYR 467 18.040 -9.522 9.868
164 HH TYR 467 HH TYR 467 17.202 -11.898 9.766
165 H LEU 468 HN LEU 468 15.976 -4.804 10.249
166 HA LEU 468 HA LEU 468 16.005 -6.879 12.207
167 HB2 LEU 468 HB2 LEU 468 17.081 -4.054 12.378
168 HB3 LEU 468 HB1 LEU 468 17.494 -5.386 13.456
169 HG LEU 468 HG LEU 468 17.847 -5.825 10.523
170 HD11 LEU 468 HD11 LEU 468 20.158 -4.825 10.733
171 HD12 LEU 468 HD12 LEU 468 19.628 -4.090 12.247
172 HD13 LEU 468 HD13 LEU 468 18.844 -3.647 10.731
173 HD21 LEU 468 HD21 LEU 468 18.293 -7.414 12.590
174 HD22 LEU 468 HD22 LEU 468 19.798 -6.500 12.700
175 HD23 LEU 468 HD23 LEU 468 19.412 -7.394 11.228
176 H LEU 469 HN LEU 469 15.273 -3.434 12.749
177 HA LEU 469 HA LEU 469 13.908 -3.804 15.157
178 HB2 LEU 469 HB2 LEU 469 12.765 -1.553 14.415
179 HB3 LEU 469 HB1 LEU 469 14.483 -1.590 14.807
180 HG LEU 469 HG LEU 469 13.803 -2.217 11.986
181 HD11 LEU 469 HD11 LEU 469 13.266 0.456 13.274
182 HD12 LEU 469 HD12 LEU 469 12.241 -0.453 12.163
183 HD13 LEU 469 HD13 LEU 469 13.705 0.333 11.571
184 HD21 LEU 469 HD21 LEU 469 15.865 -1.154 11.576
185 HD22 LEU 469 HD22 LEU 469 16.120 -1.878 13.164
186 HD23 LEU 469 HD23 LEU 469 15.747 -0.161 13.028
187 H ASP 470 HN ASP 470 12.972 -4.769 12.086
188 HA ASP 470 HA ASP 470 10.102 -4.493 12.573
189 HB2 ASP 470 HB2 ASP 470 10.778 -4.091 10.309
190 HB3 ASP 470 HB1 ASP 470 11.698 -5.595 10.256
191 H LYS 471 HN LYS 471 12.605 -6.973 12.417
192 HA LYS 471 HA LYS 471 10.630 -9.024 13.175
193 HB2 LYS 471 HB2 LYS 471 13.462 -9.231 12.137
194 HB3 LYS 471 HB1 LYS 471 12.507 -10.615 12.670
195 HG2 LYS 471 HG2 LYS 471 10.972 -8.957 10.855
196 HG3 LYS 471 HG1 LYS 471 12.494 -9.447 10.111
197 HD2 LYS 471 HD2 LYS 471 12.031 -11.781 10.536
198 HD3 LYS 471 HD1 LYS 471 10.608 -11.372 11.496
199 HE2 LYS 471 HE2 LYS 471 9.439 -10.547 9.572
200 HE3 LYS 471 HE1 LYS 471 10.898 -10.611 8.582
201 HZ1 LYS 471 HZ1 LYS 471 10.918 -13.036 8.918
202 HZ2 LYS 471 HZ2 LYS 471 9.531 -12.499 8.098
203 HZ3 LYS 471 HZ3 LYS 471 9.439 -12.922 9.741
204 H LYS 472 HN LYS 472 13.928 -7.968 14.052
205 HA LYS 472 HA LYS 472 13.614 -9.225 16.682
206 HB2 LYS 472 HB2 LYS 472 16.058 -7.782 15.660
207 HB3 LYS 472 HB1 LYS 472 15.961 -9.013 16.920
208 HG2 LYS 472 HG2 LYS 472 15.438 -9.431 13.963
209 HG3 LYS 472 HG1 LYS 472 16.833 -10.015 14.869
210 HD2 LYS 472 HD2 LYS 472 15.004 -11.133 16.399
211 HD3 LYS 472 HD1 LYS 472 13.987 -10.957 14.969
212 HE2 LYS 472 HE2 LYS 472 16.027 -12.018 13.711
213 HE3 LYS 472 HE1 LYS 472 16.492 -12.583 15.316
214 HZ1 LYS 472 HZ1 LYS 472 13.784 -13.004 14.193
215 HZ2 LYS 472 HZ2 LYS 472 14.480 -13.752 15.550
216 HZ3 LYS 472 HZ3 LYS 472 15.042 -14.122 13.989
217 HN1 NH2 473 H1 NH2 473 15.293 -6.152 15.909
218 HN2 NH2 473 H2 NH2 473 14.469 -5.237 17.075
Start of MODEL 18
1 H1 ACE 446 HA2 ACE 446 20.780 1.467 -21.160
2 H2 ACE 446 HA3 ACE 446 19.779 0.144 -21.755
3 H3 ACE 446 HA1 ACE 446 20.974 -0.153 -20.493
4 H LYS 447 HN LYS 447 18.136 -0.721 -20.368
5 HA LYS 447 HA LYS 447 17.158 1.253 -18.414
6 HB2 LYS 447 HB2 LYS 447 15.722 0.502 -20.380
7 HB3 LYS 447 HB1 LYS 447 15.613 -1.065 -19.578
8 HG2 LYS 447 HG2 LYS 447 14.885 0.296 -17.489
9 HG3 LYS 447 HG1 LYS 447 14.580 1.604 -18.633
10 HD2 LYS 447 HD2 LYS 447 12.513 0.583 -18.695
11 HD3 LYS 447 HD1 LYS 447 13.323 -0.350 -19.954
12 HE2 LYS 447 HE2 LYS 447 14.034 -1.951 -18.066
13 HE3 LYS 447 HE1 LYS 447 12.824 -1.133 -17.080
14 HZ1 LYS 447 HZ1 LYS 447 11.220 -2.257 -18.085
15 HZ2 LYS 447 HZ2 LYS 447 12.402 -3.173 -18.893
16 HZ3 LYS 447 HZ3 LYS 447 11.759 -1.780 -19.621
17 H ASP 448 HN ASP 448 17.960 -2.158 -18.808
18 HA ASP 448 HA ASP 448 17.104 -2.929 -16.180
19 HB2 ASP 448 HB2 ASP 448 18.190 -5.046 -16.668
20 HB3 ASP 448 HB1 ASP 448 17.278 -4.521 -18.082
21 H GLN 449 HN GLN 449 20.044 -1.679 -17.587
22 HA GLN 449 HA GLN 449 21.804 -2.403 -15.465
23 HB2 GLN 449 HB2 GLN 449 21.901 -0.594 -17.823
24 HB3 GLN 449 HB1 GLN 449 23.038 -0.267 -16.513
25 HG2 GLN 449 HG2 GLN 449 24.019 -2.419 -16.677
26 HG3 GLN 449 HG1 GLN 449 22.681 -3.044 -17.639
27 HE21 GLN 449 HE21 GLN 449 25.459 -3.156 -18.493
28 HE22 GLN 449 HE22 GLN 449 25.600 -2.187 -19.880
29 H PHE 450 HN PHE 450 19.207 -0.337 -15.500
30 HA PHE 450 HA PHE 450 20.362 1.656 -13.698
31 HB2 PHE 450 HB2 PHE 450 18.067 1.515 -15.459
32 HB3 PHE 450 HB1 PHE 450 17.589 2.033 -13.842
33 HD1 PHE 450 HD1 PHE 450 19.013 3.890 -12.725
34 HD2 PHE 450 HD2 PHE 450 19.080 3.038 -16.935
35 HE1 PHE 450 HE1 PHE 450 19.953 6.143 -13.167
36 HE2 PHE 450 HE2 PHE 450 20.018 5.291 -17.376
37 HZ PHE 450 HZ PHE 450 20.454 6.844 -15.492
38 H ILE 451 HN ILE 451 17.754 -0.767 -13.680
39 HA ILE 451 HA ILE 451 17.088 -0.448 -10.944
40 HB ILE 451 HB ILE 451 16.701 -2.807 -12.803
41 HG12 ILE 451 HG12 ILE 451 14.296 -1.435 -12.134
42 HG13 ILE 451 HG11 ILE 451 15.475 -0.214 -12.615
43 HG21 ILE 451 HG21 ILE 451 16.140 -2.405 -9.950
44 HG22 ILE 451 HG22 ILE 451 16.144 -3.894 -10.894
45 HG23 ILE 451 HG23 ILE 451 14.714 -2.862 -10.882
46 HD11 ILE 451 HD11 ILE 451 15.945 -1.491 -14.682
47 HD12 ILE 451 HD12 ILE 451 14.244 -1.041 -14.580
48 HD13 ILE 451 HD13 ILE 451 14.743 -2.689 -14.208
49 H ILE 452 HN ILE 452 18.946 -3.031 -12.572
50 HA ILE 452 HA ILE 452 19.764 -4.374 -10.263
51 HB ILE 452 HB ILE 452 21.578 -5.297 -11.658
52 HG12 ILE 452 HG12 ILE 452 21.121 -4.247 -14.182
53 HG13 ILE 452 HG11 ILE 452 21.049 -2.822 -13.144
54 HG21 ILE 452 HG21 ILE 452 20.151 -6.295 -13.361
55 HG22 ILE 452 HG22 ILE 452 18.989 -4.977 -13.206
56 HG23 ILE 452 HG23 ILE 452 19.219 -6.110 -11.874
57 HD11 ILE 452 HD11 ILE 452 23.354 -3.145 -13.820
58 HD12 ILE 452 HD12 ILE 452 23.309 -4.834 -13.312
59 HD13 ILE 452 HD13 ILE 452 23.220 -3.550 -12.107
60 H ALA 453 HN ALA 453 20.551 -1.266 -11.275
61 HA ALA 453 HA ALA 453 23.192 -1.225 -10.025
62 HB1 ALA 453 HB1 ALA 453 21.710 0.462 -11.891
63 HB2 ALA 453 HB2 ALA 453 23.449 0.310 -11.652
64 HB3 ALA 453 HB3 ALA 453 22.509 1.392 -10.624
65 H TYR 454 HN TYR 454 19.896 -0.149 -9.432
66 HA TYR 454 HA TYR 454 20.664 0.485 -6.662
67 HB2 TYR 454 HB2 TYR 454 18.749 2.232 -8.196
68 HB3 TYR 454 HB1 TYR 454 19.541 2.561 -6.654
69 HD1 TYR 454 HD1 TYR 454 22.261 2.199 -6.858
70 HD2 TYR 454 HD2 TYR 454 19.606 3.437 -10.000
71 HE1 TYR 454 HE1 TYR 454 24.162 3.261 -8.048
72 HE2 TYR 454 HE2 TYR 454 21.505 4.497 -11.190
73 HH TYR 454 HH TYR 454 23.943 5.488 -10.243
74 H GLY 455 HN GLY 455 17.715 0.648 -8.668
75 HA2 GLY 455 HA2 GLY 455 15.807 -0.017 -6.863
76 HA3 GLY 455 HA1 GLY 455 15.750 -0.583 -8.530
77 H GLY 456 HN GLY 456 18.264 -2.138 -8.142
78 HA2 GLY 456 HA2 GLY 456 17.040 -4.590 -7.265
79 HA3 GLY 456 HA1 GLY 456 18.697 -4.390 -7.827
80 H LEU 457 HN LEU 457 19.988 -2.872 -6.175
81 HA LEU 457 HA LEU 457 20.270 -4.393 -3.804
82 HB2 LEU 457 HB2 LEU 457 22.082 -3.015 -3.314
83 HB3 LEU 457 HB1 LEU 457 21.978 -2.869 -5.061
84 HG LEU 457 HG LEU 457 20.359 -0.847 -4.490
85 HD11 LEU 457 HD11 LEU 457 20.419 -0.010 -2.386
86 HD12 LEU 457 HD12 LEU 457 22.166 -0.204 -2.278
87 HD13 LEU 457 HD13 LEU 457 21.106 -1.555 -1.890
88 HD21 LEU 457 HD21 LEU 457 23.378 -0.720 -4.231
89 HD22 LEU 457 HD22 LEU 457 22.328 0.647 -4.601
90 HD23 LEU 457 HD23 LEU 457 22.468 -0.691 -5.742
91 H ARG 458 HN ARG 458 18.338 -1.627 -4.608
92 HA ARG 458 HA ARG 458 17.906 -0.437 -2.142
93 HB2 ARG 458 HB2 ARG 458 16.585 -0.502 -4.706
94 HB3 ARG 458 HB1 ARG 458 15.393 -0.513 -3.405
95 HG2 ARG 458 HG2 ARG 458 15.970 1.798 -4.011
96 HG3 ARG 458 HG1 ARG 458 16.516 1.437 -2.372
97 HD2 ARG 458 HD2 ARG 458 18.557 0.710 -4.286
98 HD3 ARG 458 HD1 ARG 458 18.081 2.391 -4.516
99 HE ARG 458 HE ARG 458 18.543 1.696 -1.748
100 HH11 ARG 458 HH21 ARG 458 19.940 2.697 -4.751
101 HH12 ARG 458 HH22 ARG 458 21.318 3.449 -4.018
102 HH21 ARG 458 HH11 ARG 458 20.346 2.680 -0.779
103 HH22 ARG 458 HH12 ARG 458 21.547 3.440 -1.769
104 H GLY 459 HN GLY 459 17.320 -3.628 -2.992
105 HA2 GLY 459 HA2 GLY 459 14.946 -4.318 -1.722
106 HA3 GLY 459 HA1 GLY 459 16.345 -5.380 -1.865
107 H ALA 460 HN ALA 460 17.937 -3.257 -0.357
108 HA ALA 460 HA ALA 460 17.485 -4.367 2.268
109 HB1 ALA 460 HB1 ALA 460 19.393 -2.840 2.896
110 HB2 ALA 460 HB2 ALA 460 19.433 -2.309 1.216
111 HB3 ALA 460 HB3 ALA 460 19.765 -3.993 1.615
112 H ILE 461 HN ILE 461 16.384 -1.643 0.535
113 HA ILE 461 HA ILE 461 15.811 -0.079 2.938
114 HB ILE 461 HB ILE 461 15.486 0.417 -0.016
115 HG12 ILE 461 HG12 ILE 461 16.987 2.295 0.481
116 HG13 ILE 461 HG11 ILE 461 16.938 1.899 2.200
117 HG21 ILE 461 HG21 ILE 461 14.188 1.775 2.322
118 HG22 ILE 461 HG22 ILE 461 13.535 1.451 0.716
119 HG23 ILE 461 HG23 ILE 461 14.704 2.752 0.946
120 HD11 ILE 461 HD11 ILE 461 17.799 -0.170 0.189
121 HD12 ILE 461 HD12 ILE 461 18.174 -0.077 1.909
122 HD13 ILE 461 HD13 ILE 461 18.947 1.032 0.778
123 H ALA 462 HN ALA 462 13.980 -1.452 0.200
124 HA ALA 462 HA ALA 462 11.410 -0.941 1.077
125 HB1 ALA 462 HB1 ALA 462 10.887 -2.110 -0.762
126 HB2 ALA 462 HB2 ALA 462 11.545 -3.590 -0.063
127 HB3 ALA 462 HB3 ALA 462 12.600 -2.487 -0.947
128 H PHE 463 HN PHE 463 13.586 -3.567 2.016
129 HA PHE 463 HA PHE 463 11.665 -5.002 3.559
130 HB2 PHE 463 HB2 PHE 463 13.339 -6.488 3.492
131 HB3 PHE 463 HB1 PHE 463 14.439 -5.259 2.865
132 HD1 PHE 463 HD1 PHE 463 12.900 -6.507 6.038
133 HD2 PHE 463 HD2 PHE 463 16.167 -4.402 4.209
134 HE1 PHE 463 HE1 PHE 463 14.079 -6.441 8.220
135 HE2 PHE 463 HE2 PHE 463 17.347 -4.336 6.391
136 HZ PHE 463 HZ PHE 463 16.302 -5.357 8.396
137 H SER 464 HN SER 464 14.019 -2.473 4.290
138 HA SER 464 HA SER 464 13.691 -2.526 7.110
139 HB2 SER 464 HB2 SER 464 15.273 -1.114 5.258
140 HB3 SER 464 HB1 SER 464 14.353 0.104 6.136
141 HG SER 464 HG SER 464 15.199 -1.787 7.832
142 H LEU 465 HN LEU 465 11.716 -1.400 4.567
143 HA LEU 465 HA LEU 465 10.334 0.630 6.100
144 HB2 LEU 465 HB2 LEU 465 10.296 -0.393 3.345
145 HB3 LEU 465 HB1 LEU 465 8.703 0.035 3.964
146 HG LEU 465 HG LEU 465 9.904 1.938 2.836
147 HD11 LEU 465 HD11 LEU 465 9.803 3.117 5.441
148 HD12 LEU 465 HD12 LEU 465 8.526 1.906 5.338
149 HD13 LEU 465 HD13 LEU 465 8.601 3.210 4.154
150 HD21 LEU 465 HD21 LEU 465 12.095 1.009 4.194
151 HD22 LEU 465 HD22 LEU 465 11.618 2.379 5.197
152 HD23 LEU 465 HD23 LEU 465 11.974 2.619 3.487
153 H GLY 466 HN GLY 466 9.084 -2.296 4.487
154 HA2 GLY 466 HA2 GLY 466 6.753 -2.472 6.060
155 HA3 GLY 466 HA1 GLY 466 7.434 -3.779 5.096
156 H TYR 467 HN TYR 467 9.842 -2.783 7.100
157 HA TYR 467 HA TYR 467 9.449 -5.063 8.874
158 HB2 TYR 467 HB2 TYR 467 11.660 -5.037 8.235
159 HB3 TYR 467 HB1 TYR 467 11.723 -3.277 8.145
160 HD1 TYR 467 HD1 TYR 467 11.512 -6.133 10.533
161 HD2 TYR 467 HD2 TYR 467 12.478 -1.983 9.985
162 HE1 TYR 467 HE1 TYR 467 12.454 -6.050 12.825
163 HE2 TYR 467 HE2 TYR 467 13.419 -1.899 12.277
164 HH TYR 467 HH TYR 467 14.278 -3.331 13.963
165 H LEU 468 HN LEU 468 9.588 -1.541 9.033
166 HA LEU 468 HA LEU 468 9.669 -1.276 11.835
167 HB2 LEU 468 HB2 LEU 468 8.434 0.578 9.785
168 HB3 LEU 468 HB1 LEU 468 8.846 1.008 11.445
169 HG LEU 468 HG LEU 468 10.984 -0.196 9.733
170 HD11 LEU 468 HD11 LEU 468 10.008 1.488 8.260
171 HD12 LEU 468 HD12 LEU 468 11.552 2.071 8.885
172 HD13 LEU 468 HD13 LEU 468 10.039 2.678 9.561
173 HD21 LEU 468 HD21 LEU 468 11.279 2.180 11.530
174 HD22 LEU 468 HD22 LEU 468 12.402 0.853 11.235
175 HD23 LEU 468 HD23 LEU 468 10.999 0.605 12.272
176 H LEU 469 HN LEU 469 6.813 -0.525 9.832
177 HA LEU 469 HA LEU 469 4.916 -0.533 11.811
178 HB2 LEU 469 HB2 LEU 469 3.261 -0.961 10.110
179 HB3 LEU 469 HB1 LEU 469 4.530 0.035 9.399
180 HG LEU 469 HG LEU 469 5.468 -2.515 8.935
181 HD11 LEU 469 HD11 LEU 469 3.149 -3.279 9.764
182 HD12 LEU 469 HD12 LEU 469 3.680 -3.900 8.202
183 HD13 LEU 469 HD13 LEU 469 2.520 -2.575 8.275
184 HD21 LEU 469 HD21 LEU 469 4.505 -2.085 6.588
185 HD22 LEU 469 HD22 LEU 469 5.560 -0.838 7.248
186 HD23 LEU 469 HD23 LEU 469 3.811 -0.613 7.266
187 H ASP 470 HN ASP 470 6.762 -3.183 10.746
188 HA ASP 470 HA ASP 470 4.851 -5.173 11.734
189 HB2 ASP 470 HB2 ASP 470 7.269 -5.209 10.028
190 HB3 ASP 470 HB1 ASP 470 7.046 -6.610 11.074
191 H LYS 471 HN LYS 471 7.940 -3.693 12.540
192 HA LYS 471 HA LYS 471 8.323 -5.467 14.818
193 HB2 LYS 471 HB2 LYS 471 10.467 -4.572 15.009
194 HB3 LYS 471 HB1 LYS 471 10.173 -4.496 13.277
195 HG2 LYS 471 HG2 LYS 471 10.865 -2.341 13.534
196 HG3 LYS 471 HG1 LYS 471 9.193 -2.071 14.014
197 HD2 LYS 471 HD2 LYS 471 10.072 -2.742 16.406
198 HD3 LYS 471 HD1 LYS 471 11.647 -2.332 15.732
199 HE2 LYS 471 HE2 LYS 471 10.252 -0.178 14.904
200 HE3 LYS 471 HE1 LYS 471 9.344 -0.562 16.366
201 HZ1 LYS 471 HZ1 LYS 471 11.949 -0.824 17.114
202 HZ2 LYS 471 HZ2 LYS 471 10.946 0.506 17.446
203 HZ3 LYS 471 HZ3 LYS 471 11.973 0.530 16.094
204 H LYS 472 HN LYS 472 6.922 -2.405 14.129
205 HA LYS 472 HA LYS 472 7.138 -1.260 16.738
206 HB2 LYS 472 HB2 LYS 472 5.284 -0.712 14.413
207 HB3 LYS 472 HB1 LYS 472 5.269 0.224 15.909
208 HG2 LYS 472 HG2 LYS 472 7.900 -0.187 14.554
209 HG3 LYS 472 HG1 LYS 472 6.773 0.958 13.830
210 HD2 LYS 472 HD2 LYS 472 7.269 1.092 16.782
211 HD3 LYS 472 HD1 LYS 472 8.475 1.763 15.686
212 HE2 LYS 472 HE2 LYS 472 7.054 3.418 14.910
213 HE3 LYS 472 HE1 LYS 472 5.602 2.466 15.229
214 HZ1 LYS 472 HZ1 LYS 472 5.815 2.863 17.546
215 HZ2 LYS 472 HZ2 LYS 472 5.957 4.366 16.770
216 HZ3 LYS 472 HZ3 LYS 472 7.342 3.577 17.360
217 HN1 NH2 473 H1 NH2 473 4.870 -3.544 15.282
218 HN2 NH2 473 H2 NH2 473 3.873 -3.691 16.648
Start of MODEL 19
1 H1 ACE 446 HA2 ACE 446 19.363 0.970 -20.872
2 H2 ACE 446 HA3 ACE 446 18.694 2.503 -21.428
3 H3 ACE 446 HA1 ACE 446 17.854 0.995 -21.786
4 H LYS 447 HN LYS 447 17.675 -0.338 -19.513
5 HA LYS 447 HA LYS 447 16.829 1.433 -17.348
6 HB2 LYS 447 HB2 LYS 447 14.981 0.020 -19.156
7 HB3 LYS 447 HB1 LYS 447 14.669 -0.238 -17.438
8 HG2 LYS 447 HG2 LYS 447 14.500 2.127 -17.032
9 HG3 LYS 447 HG1 LYS 447 15.079 2.504 -18.653
10 HD2 LYS 447 HD2 LYS 447 12.615 2.733 -18.486
11 HD3 LYS 447 HD1 LYS 447 13.078 1.475 -19.632
12 HE2 LYS 447 HE2 LYS 447 12.397 -0.248 -18.229
13 HE3 LYS 447 HE1 LYS 447 12.615 0.718 -16.769
14 HZ1 LYS 447 HZ1 LYS 447 10.288 0.372 -18.335
15 HZ2 LYS 447 HZ2 LYS 447 10.708 2.019 -18.292
16 HZ3 LYS 447 HZ3 LYS 447 10.463 1.164 -16.845
17 H ASP 448 HN ASP 448 17.264 -1.834 -18.606
18 HA ASP 448 HA ASP 448 17.095 -3.132 -16.058
19 HB2 ASP 448 HB2 ASP 448 16.707 -4.272 -18.251
20 HB3 ASP 448 HB1 ASP 448 18.432 -4.124 -18.585
21 H GLN 449 HN GLN 449 19.535 -1.357 -17.694
22 HA GLN 449 HA GLN 449 21.753 -2.572 -16.269
23 HB2 GLN 449 HB2 GLN 449 21.406 -0.650 -18.455
24 HB3 GLN 449 HB1 GLN 449 22.706 -0.221 -17.341
25 HG2 GLN 449 HG2 GLN 449 22.413 -3.006 -18.478
26 HG3 GLN 449 HG1 GLN 449 23.347 -1.753 -19.292
27 HE21 GLN 449 HE21 GLN 449 25.132 -0.718 -17.899
28 HE22 GLN 449 HE22 GLN 449 25.924 -1.715 -16.776
29 H PHE 450 HN PHE 450 19.507 -0.011 -15.801
30 HA PHE 450 HA PHE 450 21.169 1.341 -13.813
31 HB2 PHE 450 HB2 PHE 450 18.322 1.917 -14.668
32 HB3 PHE 450 HB1 PHE 450 19.352 2.955 -13.683
33 HD1 PHE 450 HD2 PHE 450 19.151 1.304 -17.031
34 HD2 PHE 450 HD1 PHE 450 20.815 4.500 -14.694
35 HE1 PHE 450 HE2 PHE 450 20.106 2.310 -19.087
36 HE2 PHE 450 HE1 PHE 450 21.772 5.505 -16.749
37 HZ PHE 450 HZ PHE 450 21.417 4.410 -18.946
38 H ILE 451 HN ILE 451 18.250 -0.640 -14.013
39 HA ILE 451 HA ILE 451 17.316 -0.459 -11.410
40 HB ILE 451 HB ILE 451 17.300 -2.681 -13.434
41 HG12 ILE 451 HG12 ILE 451 14.913 -1.410 -12.141
42 HG13 ILE 451 HG11 ILE 451 15.824 -0.477 -13.330
43 HG21 ILE 451 HG21 ILE 451 16.470 -2.768 -10.542
44 HG22 ILE 451 HG22 ILE 451 17.313 -3.994 -11.490
45 HG23 ILE 451 HG23 ILE 451 15.590 -3.712 -11.744
46 HD11 ILE 451 HD11 ILE 451 13.837 -2.070 -14.086
47 HD12 ILE 451 HD12 ILE 451 15.096 -3.301 -14.002
48 HD13 ILE 451 HD13 ILE 451 15.291 -1.912 -15.069
49 H ILE 452 HN ILE 452 19.347 -3.148 -12.599
50 HA ILE 452 HA ILE 452 19.997 -4.344 -10.238
51 HB ILE 452 HB ILE 452 22.056 -5.113 -11.287
52 HG12 ILE 452 HG12 ILE 452 22.136 -3.876 -13.775
53 HG13 ILE 452 HG11 ILE 452 21.793 -2.545 -12.671
54 HG21 ILE 452 HG21 ILE 452 20.677 -5.149 -13.776
55 HG22 ILE 452 HG22 ILE 452 19.458 -5.183 -12.504
56 HG23 ILE 452 HG23 ILE 452 20.721 -6.412 -12.548
57 HD11 ILE 452 HD11 ILE 452 23.708 -3.269 -11.252
58 HD12 ILE 452 HD12 ILE 452 24.213 -2.828 -12.882
59 HD13 ILE 452 HD13 ILE 452 24.075 -4.527 -12.432
60 H ALA 453 HN ALA 453 20.919 -1.201 -11.288
61 HA ALA 453 HA ALA 453 23.183 -0.921 -9.520
62 HB1 ALA 453 HB1 ALA 453 22.339 0.438 -11.734
63 HB2 ALA 453 HB2 ALA 453 23.523 1.053 -10.579
64 HB3 ALA 453 HB3 ALA 453 21.830 1.527 -10.443
65 H TYR 454 HN TYR 454 19.764 -0.016 -9.488
66 HA TYR 454 HA TYR 454 19.991 0.471 -6.589
67 HB2 TYR 454 HB2 TYR 454 18.386 2.196 -8.486
68 HB3 TYR 454 HB1 TYR 454 18.567 2.423 -6.746
69 HD1 TYR 454 HD2 TYR 454 21.154 2.403 -5.950
70 HD2 TYR 454 HD1 TYR 454 19.741 3.516 -9.852
71 HE1 TYR 454 HE2 TYR 454 23.222 3.717 -6.324
72 HE2 TYR 454 HE1 TYR 454 21.810 4.830 -10.225
73 HH TYR 454 HH TYR 454 24.487 4.485 -8.802
74 H GLY 455 HN GLY 455 17.487 0.460 -9.139
75 HA2 GLY 455 HA2 GLY 455 15.303 -0.349 -7.752
76 HA3 GLY 455 HA1 GLY 455 15.631 -0.914 -9.387
77 H GLY 456 HN GLY 456 18.167 -2.204 -8.303
78 HA2 GLY 456 HA2 GLY 456 16.917 -4.743 -7.591
79 HA3 GLY 456 HA1 GLY 456 18.610 -4.491 -8.009
80 H LEU 457 HN LEU 457 19.933 -3.290 -6.387
81 HA LEU 457 HA LEU 457 19.896 -4.520 -3.896
82 HB2 LEU 457 HB2 LEU 457 21.805 -3.342 -3.519
83 HB3 LEU 457 HB1 LEU 457 21.634 -2.899 -5.208
84 HG LEU 457 HG LEU 457 20.224 -0.894 -4.376
85 HD11 LEU 457 HD11 LEU 457 19.859 -0.778 -2.146
86 HD12 LEU 457 HD12 LEU 457 21.583 -0.485 -1.944
87 HD13 LEU 457 HD13 LEU 457 20.951 -2.123 -1.832
88 HD21 LEU 457 HD21 LEU 457 23.181 -1.072 -3.738
89 HD22 LEU 457 HD22 LEU 457 22.272 0.422 -3.978
90 HD23 LEU 457 HD23 LEU 457 22.484 -0.706 -5.315
91 H ARG 458 HN ARG 458 17.941 -2.009 -5.099
92 HA ARG 458 HA ARG 458 16.120 -0.951 -4.179
93 HB2 ARG 458 HB2 ARG 458 16.348 -3.193 -2.608
94 HB3 ARG 458 HB1 ARG 458 16.481 -1.903 -1.418
95 HG2 ARG 458 HG2 ARG 458 14.151 -2.312 -1.601
96 HG3 ARG 458 HG1 ARG 458 14.424 -0.862 -2.566
97 HD2 ARG 458 HD2 ARG 458 14.866 -2.913 -4.381
98 HD3 ARG 458 HD1 ARG 458 13.530 -3.523 -3.410
99 HE ARG 458 HE ARG 458 13.461 -1.265 -5.229
100 HH11 ARG 458 HH21 ARG 458 12.061 -2.845 -2.487
101 HH12 ARG 458 HH22 ARG 458 10.493 -2.140 -2.707
102 HH21 ARG 458 HH11 ARG 458 11.408 -0.342 -5.528
103 HH22 ARG 458 HH12 ARG 458 10.125 -0.723 -4.429
104 H GLY 459 HN GLY 459 18.665 0.261 -4.321
105 HA2 GLY 459 HA2 GLY 459 19.364 1.595 -1.900
106 HA3 GLY 459 HA1 GLY 459 19.867 2.059 -3.523
107 H ALA 460 HN ALA 460 16.784 1.990 -4.083
108 HA ALA 460 HA ALA 460 16.326 4.722 -4.162
109 HB1 ALA 460 HB1 ALA 460 14.813 3.510 -5.432
110 HB2 ALA 460 HB2 ALA 460 13.816 3.936 -4.040
111 HB3 ALA 460 HB3 ALA 460 14.529 2.327 -4.154
112 H ILE 461 HN ILE 461 16.259 2.603 -1.465
113 HA ILE 461 HA ILE 461 14.660 4.425 0.169
114 HB ILE 461 HB ILE 461 15.901 1.722 0.668
115 HG12 ILE 461 HG12 ILE 461 13.531 1.098 1.017
116 HG13 ILE 461 HG11 ILE 461 13.049 2.764 0.697
117 HG21 ILE 461 HG21 ILE 461 14.484 2.096 2.894
118 HG22 ILE 461 HG22 ILE 461 14.880 3.785 2.575
119 HG23 ILE 461 HG23 ILE 461 16.171 2.603 2.789
120 HD11 ILE 461 HD11 ILE 461 13.583 2.626 -1.569
121 HD12 ILE 461 HD12 ILE 461 12.993 0.994 -1.251
122 HD13 ILE 461 HD13 ILE 461 14.726 1.306 -1.321
123 H ALA 462 HN ALA 462 17.917 2.971 0.247
124 HA ALA 462 HA ALA 462 18.972 4.331 2.408
125 HB1 ALA 462 HB1 ALA 462 20.035 2.954 0.056
126 HB2 ALA 462 HB2 ALA 462 20.601 2.932 1.725
127 HB3 ALA 462 HB3 ALA 462 21.093 4.234 0.643
128 H PHE 463 HN PHE 463 18.581 5.442 -0.924
129 HA PHE 463 HA PHE 463 20.047 7.871 -0.582
130 HB2 PHE 463 HB2 PHE 463 19.826 7.839 -2.809
131 HB3 PHE 463 HB1 PHE 463 18.647 6.533 -2.700
132 HD1 PHE 463 HD1 PHE 463 18.987 10.245 -2.367
133 HD2 PHE 463 HD2 PHE 463 16.376 6.928 -3.171
134 HE1 PHE 463 HE1 PHE 463 17.175 11.821 -2.986
135 HE2 PHE 463 HE2 PHE 463 14.564 8.506 -3.789
136 HZ PHE 463 HZ PHE 463 14.964 10.951 -3.697
137 H SER 464 HN SER 464 16.654 6.955 -0.263
138 HA SER 464 HA SER 464 15.642 9.589 0.082
139 HB2 SER 464 HB2 SER 464 14.196 7.701 -0.537
140 HB3 SER 464 HB1 SER 464 14.515 6.939 1.019
141 HG SER 464 HG SER 464 12.551 8.192 0.937
142 H LEU 465 HN LEU 465 17.557 7.626 2.049
143 HA LEU 465 HA LEU 465 16.563 8.659 4.582
144 HB2 LEU 465 HB2 LEU 465 18.420 6.558 3.701
145 HB3 LEU 465 HB1 LEU 465 18.966 7.432 5.129
146 HG LEU 465 HG LEU 465 17.539 5.423 5.646
147 HD11 LEU 465 HD11 LEU 465 17.080 6.548 7.535
148 HD12 LEU 465 HD12 LEU 465 15.750 7.378 6.726
149 HD13 LEU 465 HD13 LEU 465 17.370 8.073 6.699
150 HD21 LEU 465 HD21 LEU 465 15.072 6.881 4.940
151 HD22 LEU 465 HD22 LEU 465 15.451 5.167 4.779
152 HD23 LEU 465 HD23 LEU 465 16.003 6.310 3.556
153 H GLY 466 HN GLY 466 19.718 8.720 2.904
154 HA2 GLY 466 HA2 GLY 466 20.748 10.830 4.534
155 HA3 GLY 466 HA1 GLY 466 21.478 10.204 3.060
156 H TYR 467 HN TYR 467 18.355 10.936 2.305
157 HA TYR 467 HA TYR 467 19.161 13.417 0.993
158 HB2 TYR 467 HB2 TYR 467 17.982 12.193 -0.553
159 HB3 TYR 467 HB1 TYR 467 16.951 11.444 0.667
160 HD1 TYR 467 HD1 TYR 467 17.652 14.697 -1.033
161 HD2 TYR 467 HD2 TYR 467 14.810 12.316 1.133
162 HE1 TYR 467 HE1 TYR 467 15.897 16.392 -1.474
163 HE2 TYR 467 HE2 TYR 467 13.054 14.011 0.693
164 HH TYR 467 HH TYR 467 13.173 16.685 0.165
165 H LEU 468 HN LEU 468 16.942 12.278 3.481
166 HA LEU 468 HA LEU 468 15.460 14.677 3.764
167 HB2 LEU 468 HB2 LEU 468 16.014 12.516 5.812
168 HB3 LEU 468 HB1 LEU 468 14.748 13.739 5.917
169 HG LEU 468 HG LEU 468 14.862 12.045 3.455
170 HD11 LEU 468 HD11 LEU 468 13.446 10.341 4.609
171 HD12 LEU 468 HD12 LEU 468 13.805 11.133 6.143
172 HD13 LEU 468 HD13 LEU 468 15.103 10.385 5.213
173 HD21 LEU 468 HD21 LEU 468 12.618 12.618 3.285
174 HD22 LEU 468 HD22 LEU 468 13.236 14.027 4.146
175 HD23 LEU 468 HD23 LEU 468 12.413 12.743 5.032
176 H LEU 469 HN LEU 469 17.609 13.375 6.273
177 HA LEU 469 HA LEU 469 18.045 15.675 7.687
178 HB2 LEU 469 HB2 LEU 469 20.171 14.677 8.441
179 HB3 LEU 469 HB1 LEU 469 18.870 13.487 8.417
180 HG LEU 469 HG LEU 469 19.890 13.301 5.860
181 HD11 LEU 469 HD11 LEU 469 21.776 14.809 6.732
182 HD12 LEU 469 HD12 LEU 469 22.270 13.299 5.967
183 HD13 LEU 469 HD13 LEU 469 22.266 13.437 7.724
184 HD21 LEU 469 HD21 LEU 469 19.315 11.360 7.123
185 HD22 LEU 469 HD22 LEU 469 20.462 11.763 8.402
186 HD23 LEU 469 HD23 LEU 469 21.050 11.224 6.829
187 H ASP 470 HN ASP 470 19.091 15.007 4.510
188 HA ASP 470 HA ASP 470 21.271 16.944 4.554
189 HB2 ASP 470 HB2 ASP 470 21.567 14.972 3.176
190 HB3 ASP 470 HB1 ASP 470 20.065 15.305 2.314
191 H LYS 471 HN LYS 471 18.024 16.613 3.169
192 HA LYS 471 HA LYS 471 18.110 19.451 2.366
193 HB2 LYS 471 HB2 LYS 471 16.265 17.200 1.534
194 HB3 LYS 471 HB1 LYS 471 16.099 18.877 1.007
195 HG2 LYS 471 HG2 LYS 471 18.822 18.049 0.624
196 HG3 LYS 471 HG1 LYS 471 17.753 16.861 -0.120
197 HD2 LYS 471 HD2 LYS 471 16.599 18.630 -1.361
198 HD3 LYS 471 HD1 LYS 471 17.597 19.853 -0.576
199 HE2 LYS 471 HE2 LYS 471 19.193 17.734 -1.808
200 HE3 LYS 471 HE1 LYS 471 18.185 18.588 -2.977
201 HZ1 LYS 471 HZ1 LYS 471 19.331 20.438 -1.190
202 HZ2 LYS 471 HZ2 LYS 471 19.535 20.319 -2.872
203 HZ3 LYS 471 HZ3 LYS 471 20.559 19.456 -1.827
204 H LYS 472 HN LYS 472 15.905 17.073 3.857
205 HA LYS 472 HA LYS 472 13.941 18.841 4.732
206 HB2 LYS 472 HB2 LYS 472 14.048 16.238 4.826
207 HB3 LYS 472 HB1 LYS 472 14.772 16.496 6.414
208 HG2 LYS 472 HG2 LYS 472 12.538 16.435 7.012
209 HG3 LYS 472 HG1 LYS 472 12.714 18.161 6.693
210 HD2 LYS 472 HD2 LYS 472 12.103 17.464 4.223
211 HD3 LYS 472 HD1 LYS 472 11.398 16.052 5.014
212 HE2 LYS 472 HE2 LYS 472 10.712 18.962 5.502
213 HE3 LYS 472 HE1 LYS 472 9.658 17.707 4.850
214 HZ1 LYS 472 HZ1 LYS 472 9.763 18.409 7.436
215 HZ2 LYS 472 HZ2 LYS 472 10.834 17.089 7.416
216 HZ3 LYS 472 HZ3 LYS 472 9.233 16.898 6.878
217 HN1 NH2 473 H1 NH2 473 13.745 20.198 6.564
218 HN2 NH2 473 H2 NH2 473 15.008 20.461 7.668
Start of MODEL 20
1 H1 ACE 446 HA2 ACE 446 19.694 0.090 -21.020
2 H2 ACE 446 HA3 ACE 446 20.535 1.588 -20.624
3 H3 ACE 446 HA1 ACE 446 19.015 1.640 -21.516
4 H LYS 447 HN LYS 447 17.556 -0.242 -20.022
5 HA LYS 447 HA LYS 447 17.121 1.291 -17.545
6 HB2 LYS 447 HB2 LYS 447 15.333 -0.602 -19.087
7 HB3 LYS 447 HB1 LYS 447 14.899 0.128 -17.541
8 HG2 LYS 447 HG2 LYS 447 15.889 2.155 -19.349
9 HG3 LYS 447 HG1 LYS 447 14.569 1.259 -20.104
10 HD2 LYS 447 HD2 LYS 447 14.440 2.434 -17.313
11 HD3 LYS 447 HD1 LYS 447 13.794 3.228 -18.750
12 HE2 LYS 447 HE2 LYS 447 12.872 0.500 -18.669
13 HE3 LYS 447 HE1 LYS 447 12.509 1.289 -17.135
14 HZ1 LYS 447 HZ1 LYS 447 11.228 2.888 -18.158
15 HZ2 LYS 447 HZ2 LYS 447 10.867 1.514 -19.091
16 HZ3 LYS 447 HZ3 LYS 447 11.961 2.676 -19.673
17 H ASP 448 HN ASP 448 17.506 -2.015 -18.765
18 HA ASP 448 HA ASP 448 17.210 -3.367 -16.315
19 HB2 ASP 448 HB2 ASP 448 18.270 -5.238 -17.398
20 HB3 ASP 448 HB1 ASP 448 17.253 -4.428 -18.590
21 H GLN 449 HN GLN 449 19.806 -1.470 -17.597
22 HA GLN 449 HA GLN 449 21.752 -2.527 -15.693
23 HB2 GLN 449 HB2 GLN 449 21.828 -0.768 -18.079
24 HB3 GLN 449 HB1 GLN 449 23.012 -0.423 -16.818
25 HG2 GLN 449 HG2 GLN 449 22.560 -3.216 -17.881
26 HG3 GLN 449 HG1 GLN 449 23.725 -2.111 -18.608
27 HE21 GLN 449 HE21 GLN 449 23.744 -4.662 -16.615
28 HE22 GLN 449 HE22 GLN 449 24.975 -4.218 -15.535
29 H PHE 450 HN PHE 450 19.415 -0.047 -15.891
30 HA PHE 450 HA PHE 450 20.729 1.659 -13.917
31 HB2 PHE 450 HB2 PHE 450 19.553 3.213 -15.026
32 HB3 PHE 450 HB1 PHE 450 18.634 1.978 -15.886
33 HD1 PHE 450 HD1 PHE 450 18.857 3.770 -12.615
34 HD2 PHE 450 HD2 PHE 450 16.382 1.545 -15.329
35 HE1 PHE 450 HE1 PHE 450 16.872 4.271 -11.215
36 HE2 PHE 450 HE2 PHE 450 14.398 2.045 -13.930
37 HZ PHE 450 HZ PHE 450 14.642 3.408 -11.873
38 H ILE 451 HN ILE 451 18.346 -0.848 -14.100
39 HA ILE 451 HA ILE 451 17.122 -0.260 -11.549
40 HB ILE 451 HB ILE 451 16.921 -2.510 -13.534
41 HG12 ILE 451 HG12 ILE 451 14.652 -0.975 -12.310
42 HG13 ILE 451 HG11 ILE 451 15.665 -0.173 -13.512
43 HG21 ILE 451 HG21 ILE 451 15.088 -3.324 -11.850
44 HG22 ILE 451 HG22 ILE 451 16.045 -2.448 -10.655
45 HG23 ILE 451 HG23 ILE 451 16.769 -3.774 -11.566
46 HD11 ILE 451 HD11 ILE 451 14.242 -2.824 -13.903
47 HD12 ILE 451 HD12 ILE 451 15.246 -2.009 -15.102
48 HD13 ILE 451 HD13 ILE 451 13.729 -1.278 -14.578
49 H ILE 452 HN ILE 452 19.197 -2.901 -12.767
50 HA ILE 452 HA ILE 452 19.628 -4.233 -10.375
51 HB ILE 452 HB ILE 452 20.382 -5.107 -12.533
52 HG12 ILE 452 HG12 ILE 452 22.787 -4.650 -10.747
53 HG13 ILE 452 HG11 ILE 452 21.490 -5.775 -10.340
54 HG21 ILE 452 HG21 ILE 452 21.160 -2.777 -13.305
55 HG22 ILE 452 HG22 ILE 452 22.175 -4.146 -13.761
56 HG23 ILE 452 HG23 ILE 452 22.646 -3.109 -12.414
57 HD11 ILE 452 HD11 ILE 452 23.697 -6.464 -11.791
58 HD12 ILE 452 HD12 ILE 452 22.565 -6.055 -13.079
59 HD13 ILE 452 HD13 ILE 452 22.147 -7.299 -11.901
60 H ALA 453 HN ALA 453 21.046 -1.259 -11.558
61 HA ALA 453 HA ALA 453 23.214 -1.098 -9.739
62 HB1 ALA 453 HB1 ALA 453 23.016 0.291 -11.785
63 HB2 ALA 453 HB2 ALA 453 23.295 1.263 -10.340
64 HB3 ALA 453 HB3 ALA 453 21.678 1.163 -11.039
65 H TYR 454 HN TYR 454 19.811 -0.346 -9.483
66 HA TYR 454 HA TYR 454 20.153 1.053 -6.947
67 HB2 TYR 454 HB2 TYR 454 17.923 0.572 -8.851
68 HB3 TYR 454 HB1 TYR 454 17.490 0.773 -7.152
69 HD1 TYR 454 HD2 TYR 454 19.523 2.336 -9.880
70 HD2 TYR 454 HD1 TYR 454 17.378 2.921 -6.205
71 HE1 TYR 454 HE2 TYR 454 19.834 4.787 -10.088
72 HE2 TYR 454 HE1 TYR 454 17.689 5.372 -6.413
73 HH TYR 454 HH TYR 454 18.090 7.001 -8.501
74 H GLY 455 HN GLY 455 19.645 -2.137 -8.080
75 HA2 GLY 455 HA2 GLY 455 19.809 -4.061 -6.720
76 HA3 GLY 455 HA1 GLY 455 19.365 -3.086 -5.322
77 H GLY 456 HN GLY 456 17.508 -2.698 -8.204
78 HA2 GLY 456 HA2 GLY 456 15.226 -2.961 -8.515
79 HA3 GLY 456 HA1 GLY 456 15.620 -4.651 -8.213
80 H LEU 457 HN LEU 457 15.724 -1.886 -5.987
81 HA LEU 457 HA LEU 457 14.420 -3.351 -3.908
82 HB2 LEU 457 HB2 LEU 457 14.542 -1.281 -2.641
83 HB3 LEU 457 HB1 LEU 457 16.066 -1.527 -3.497
84 HG LEU 457 HG LEU 457 14.527 -0.139 -5.339
85 HD11 LEU 457 HD11 LEU 457 12.837 0.311 -3.593
86 HD12 LEU 457 HD12 LEU 457 13.644 1.797 -4.093
87 HD13 LEU 457 HD13 LEU 457 14.086 1.023 -2.572
88 HD21 LEU 457 HD21 LEU 457 16.010 1.792 -4.664
89 HD22 LEU 457 HD22 LEU 457 16.877 0.281 -4.940
90 HD23 LEU 457 HD23 LEU 457 16.548 0.823 -3.293
91 H ARG 458 HN ARG 458 13.336 -1.336 -6.505
92 HA ARG 458 HA ARG 458 10.939 -0.311 -5.593
93 HB2 ARG 458 HB2 ARG 458 11.943 -1.230 -8.241
94 HB3 ARG 458 HB1 ARG 458 10.205 -0.971 -8.082
95 HG2 ARG 458 HG2 ARG 458 11.344 1.089 -8.833
96 HG3 ARG 458 HG1 ARG 458 10.613 1.312 -7.244
97 HD2 ARG 458 HD2 ARG 458 12.713 1.117 -6.138
98 HD3 ARG 458 HD1 ARG 458 13.495 0.470 -7.578
99 HE ARG 458 HE ARG 458 13.696 2.650 -8.402
100 HH11 ARG 458 HH21 ARG 458 11.663 2.500 -5.606
101 HH12 ARG 458 HH22 ARG 458 11.600 4.217 -5.390
102 HH21 ARG 458 HH11 ARG 458 13.618 4.903 -8.124
103 HH22 ARG 458 HH12 ARG 458 12.706 5.578 -6.815
104 H GLY 459 HN GLY 459 11.850 -3.555 -5.727
105 HA2 GLY 459 HA2 GLY 459 9.576 -4.969 -6.411
106 HA3 GLY 459 HA1 GLY 459 10.716 -5.482 -5.169
107 H ALA 460 HN ALA 460 9.871 -2.664 -3.968
108 HA ALA 460 HA ALA 460 7.763 -3.819 -2.292
109 HB1 ALA 460 HB1 ALA 460 8.200 -1.825 -0.850
110 HB2 ALA 460 HB2 ALA 460 9.447 -1.323 -1.993
111 HB3 ALA 460 HB3 ALA 460 9.625 -2.834 -1.100
112 H ILE 461 HN ILE 461 8.272 -1.398 -4.724
113 HA ILE 461 HA ILE 461 5.777 -0.015 -4.191
114 HB ILE 461 HB ILE 461 7.962 0.242 -6.236
115 HG12 ILE 461 HG12 ILE 461 8.083 2.502 -5.318
116 HG13 ILE 461 HG11 ILE 461 6.636 2.217 -4.351
117 HG21 ILE 461 HG21 ILE 461 5.141 1.285 -6.371
118 HG22 ILE 461 HG22 ILE 461 6.118 0.570 -7.654
119 HG23 ILE 461 HG23 ILE 461 6.468 2.202 -7.084
120 HD11 ILE 461 HD11 ILE 461 7.735 0.712 -2.919
121 HD12 ILE 461 HD12 ILE 461 8.959 1.948 -3.205
122 HD13 ILE 461 HD13 ILE 461 9.034 0.416 -4.075
123 H ALA 462 HN ALA 462 7.085 -1.964 -6.880
124 HA ALA 462 HA ALA 462 4.850 -2.120 -8.483
125 HB1 ALA 462 HB1 ALA 462 5.775 -4.554 -8.923
126 HB2 ALA 462 HB2 ALA 462 7.122 -3.986 -7.935
127 HB3 ALA 462 HB3 ALA 462 6.702 -3.138 -9.423
128 H PHE 463 HN PHE 463 5.477 -3.748 -5.449
129 HA PHE 463 HA PHE 463 3.158 -5.490 -5.728
130 HB2 PHE 463 HB2 PHE 463 4.433 -6.742 -4.373
131 HB3 PHE 463 HB1 PHE 463 5.527 -5.394 -4.067
132 HD1 PHE 463 HD2 PHE 463 2.237 -6.847 -3.068
133 HD2 PHE 463 HD1 PHE 463 5.465 -4.216 -2.016
134 HE1 PHE 463 HE2 PHE 463 1.284 -6.587 -0.793
135 HE2 PHE 463 HE1 PHE 463 4.512 -3.956 0.259
136 HZ PHE 463 HZ PHE 463 2.421 -5.141 0.869
137 H SER 464 HN SER 464 4.164 -2.668 -3.833
138 HA SER 464 HA SER 464 1.922 -2.496 -2.152
139 HB2 SER 464 HB2 SER 464 3.967 -1.179 -1.794
140 HB3 SER 464 HB1 SER 464 3.637 -0.258 -3.259
141 HG SER 464 HG SER 464 2.550 0.971 -1.939
142 H LEU 465 HN LEU 465 2.469 -1.332 -5.439
143 HA LEU 465 HA LEU 465 -0.172 -0.084 -5.506
144 HB2 LEU 465 HB2 LEU 465 1.040 1.325 -6.779
145 HB3 LEU 465 HB1 LEU 465 2.327 0.154 -7.015
146 HG LEU 465 HG LEU 465 -0.303 0.020 -8.530
147 HD11 LEU 465 HD11 LEU 465 0.516 2.077 -9.255
148 HD12 LEU 465 HD12 LEU 465 1.258 0.963 -10.404
149 HD13 LEU 465 HD13 LEU 465 2.200 1.593 -9.051
150 HD21 LEU 465 HD21 LEU 465 1.973 -1.702 -8.323
151 HD22 LEU 465 HD22 LEU 465 2.021 -0.956 -9.920
152 HD23 LEU 465 HD23 LEU 465 0.596 -1.861 -9.412
153 H GLY 466 HN GLY 466 1.446 -2.989 -6.472
154 HA2 GLY 466 HA2 GLY 466 -0.742 -3.798 -8.246
155 HA3 GLY 466 HA1 GLY 466 0.763 -4.673 -7.983
156 H TYR 467 HN TYR 467 -0.279 -3.729 -5.011
157 HA TYR 467 HA TYR 467 -1.205 -6.402 -4.358
158 HB2 TYR 467 HB2 TYR 467 0.219 -5.603 -2.707
159 HB3 TYR 467 HB1 TYR 467 -0.428 -3.965 -2.796
160 HD1 TYR 467 HD1 TYR 467 -1.181 -7.433 -1.682
161 HD2 TYR 467 HD2 TYR 467 -2.286 -3.290 -1.465
162 HE1 TYR 467 HE1 TYR 467 -2.748 -7.948 0.171
163 HE2 TYR 467 HE2 TYR 467 -3.855 -3.802 0.382
164 HH TYR 467 HH TYR 467 -4.229 -5.476 2.063
165 H LEU 468 HN LEU 468 -2.508 -3.104 -4.428
166 HA LEU 468 HA LEU 468 -5.002 -3.671 -3.241
167 HB2 LEU 468 HB2 LEU 468 -4.363 -1.573 -5.328
168 HB3 LEU 468 HB1 LEU 468 -5.762 -1.582 -4.257
169 HG LEU 468 HG LEU 468 -3.035 -1.745 -3.033
170 HD11 LEU 468 HD11 LEU 468 -4.299 0.711 -4.253
171 HD12 LEU 468 HD12 LEU 468 -2.672 0.082 -4.518
172 HD13 LEU 468 HD13 LEU 468 -3.096 0.807 -2.967
173 HD21 LEU 468 HD21 LEU 468 -5.093 -1.937 -1.664
174 HD22 LEU 468 HD22 LEU 468 -5.624 -0.364 -2.259
175 HD23 LEU 468 HD23 LEU 468 -4.180 -0.485 -1.253
176 H LEU 469 HN LEU 469 -4.414 -3.048 -6.710
177 HA LEU 469 HA LEU 469 -6.839 -3.968 -7.667
178 HB2 LEU 469 HB2 LEU 469 -4.924 -4.760 -9.586
179 HB3 LEU 469 HB1 LEU 469 -5.885 -3.284 -9.571
180 HG LEU 469 HG LEU 469 -3.288 -3.550 -8.035
181 HD11 LEU 469 HD11 LEU 469 -2.392 -2.141 -9.979
182 HD12 LEU 469 HD12 LEU 469 -3.815 -2.672 -10.877
183 HD13 LEU 469 HD13 LEU 469 -2.641 -3.857 -10.302
184 HD21 LEU 469 HD21 LEU 469 -3.585 -1.336 -7.520
185 HD22 LEU 469 HD22 LEU 469 -5.284 -1.691 -7.836
186 HD23 LEU 469 HD23 LEU 469 -4.285 -0.967 -9.095
187 H ASP 470 HN ASP 470 -4.169 -5.784 -6.445
188 HA ASP 470 HA ASP 470 -4.890 -8.281 -7.673
189 HB2 ASP 470 HB2 ASP 470 -2.950 -7.403 -5.579
190 HB3 ASP 470 HB1 ASP 470 -3.373 -9.112 -5.670
191 H LYS 471 HN LYS 471 -5.503 -6.705 -4.572
192 HA LYS 471 HA LYS 471 -7.240 -8.959 -3.787
193 HB2 LYS 471 HB2 LYS 471 -6.245 -6.677 -2.069
194 HB3 LYS 471 HB1 LYS 471 -7.059 -8.144 -1.523
195 HG2 LYS 471 HG2 LYS 471 -4.362 -8.037 -2.908
196 HG3 LYS 471 HG1 LYS 471 -4.622 -8.319 -1.187
197 HD2 LYS 471 HD2 LYS 471 -6.183 -10.261 -2.037
198 HD3 LYS 471 HD1 LYS 471 -5.220 -10.123 -3.509
199 HE2 LYS 471 HE2 LYS 471 -3.217 -10.122 -1.729
200 HE3 LYS 471 HE1 LYS 471 -4.402 -11.026 -0.787
201 HZ1 LYS 471 HZ1 LYS 471 -2.788 -12.120 -2.613
202 HZ2 LYS 471 HZ2 LYS 471 -4.166 -11.820 -3.560
203 HZ3 LYS 471 HZ3 LYS 471 -4.285 -12.775 -2.161
204 H LYS 472 HN LYS 472 -7.226 -5.418 -3.316
205 HA LYS 472 HA LYS 472 -10.151 -5.422 -3.479
206 HB2 LYS 472 HB2 LYS 472 -8.375 -3.047 -2.920
207 HB3 LYS 472 HB1 LYS 472 -10.075 -3.261 -2.502
208 HG2 LYS 472 HG2 LYS 472 -7.720 -4.773 -1.339
209 HG3 LYS 472 HG1 LYS 472 -8.751 -3.614 -0.500
210 HD2 LYS 472 HD2 LYS 472 -10.701 -5.195 -1.152
211 HD3 LYS 472 HD1 LYS 472 -9.439 -6.388 -1.458
212 HE2 LYS 472 HE2 LYS 472 -9.993 -4.950 1.150
213 HE3 LYS 472 HE1 LYS 472 -10.178 -6.673 0.826
214 HZ1 LYS 472 HZ1 LYS 472 -8.094 -6.058 2.007
215 HZ2 LYS 472 HZ2 LYS 472 -7.597 -5.228 0.610
216 HZ3 LYS 472 HZ3 LYS 472 -7.846 -6.908 0.560
217 HN1 NH2 473 H1 NH2 473 -10.414 -5.708 -5.810
218 HN2 NH2 473 H2 NH2 473 -10.020 -4.460 -6.892
Start of MODEL 21
1 H1 ACE 446 HA2 ACE 446 19.519 0.784 -20.996
2 H2 ACE 446 HA3 ACE 446 19.417 2.534 -21.197
3 H3 ACE 446 HA1 ACE 446 18.252 1.484 -22.004
4 H LYS 447 HN LYS 447 18.045 -0.271 -19.626
5 HA LYS 447 HA LYS 447 16.925 1.428 -17.544
6 HB2 LYS 447 HB2 LYS 447 15.279 0.214 -19.607
7 HB3 LYS 447 HB1 LYS 447 14.840 -0.372 -18.003
8 HG2 LYS 447 HG2 LYS 447 14.512 1.869 -17.187
9 HG3 LYS 447 HG1 LYS 447 15.198 2.562 -18.657
10 HD2 LYS 447 HD2 LYS 447 12.718 2.659 -18.669
11 HD3 LYS 447 HD1 LYS 447 13.339 1.653 -19.979
12 HE2 LYS 447 HE2 LYS 447 12.649 -0.326 -18.972
13 HE3 LYS 447 HE1 LYS 447 12.687 0.366 -17.350
14 HZ1 LYS 447 HZ1 LYS 447 10.449 -0.007 -18.732
15 HZ2 LYS 447 HZ2 LYS 447 10.816 1.582 -19.209
16 HZ3 LYS 447 HZ3 LYS 447 10.628 1.208 -17.562
17 H ASP 448 HN ASP 448 17.516 -1.800 -18.841
18 HA ASP 448 HA ASP 448 17.116 -3.156 -16.345
19 HB2 ASP 448 HB2 ASP 448 17.174 -4.016 -18.883
20 HB3 ASP 448 HB1 ASP 448 18.846 -4.358 -18.441
21 H GLN 449 HN GLN 449 19.629 -1.259 -17.631
22 HA GLN 449 HA GLN 449 21.727 -2.547 -16.057
23 HB2 GLN 449 HB2 GLN 449 21.608 -0.574 -18.245
24 HB3 GLN 449 HB1 GLN 449 22.860 -0.272 -17.039
25 HG2 GLN 449 HG2 GLN 449 23.848 -2.413 -17.379
26 HG3 GLN 449 HG1 GLN 449 22.452 -2.995 -18.283
27 HE21 GLN 449 HE21 GLN 449 25.471 -2.495 -18.996
28 HE22 GLN 449 HE22 GLN 449 25.371 -1.654 -20.467
29 H PHE 450 HN PHE 450 19.465 0.025 -15.805
30 HA PHE 450 HA PHE 450 20.957 1.399 -13.702
31 HB2 PHE 450 HB2 PHE 450 18.188 1.958 -14.788
32 HB3 PHE 450 HB1 PHE 450 19.133 3.010 -13.735
33 HD1 PHE 450 HD1 PHE 450 19.220 1.313 -17.067
34 HD2 PHE 450 HD2 PHE 450 20.655 4.558 -14.644
35 HE1 PHE 450 HE1 PHE 450 20.338 2.300 -19.050
36 HE2 PHE 450 HE2 PHE 450 21.773 5.544 -16.627
37 HZ PHE 450 HZ PHE 450 21.614 4.415 -18.830
38 H ILE 451 HN ILE 451 18.353 -0.876 -14.095
39 HA ILE 451 HA ILE 451 17.121 -0.582 -11.565
40 HB ILE 451 HB ILE 451 17.248 -2.794 -13.595
41 HG12 ILE 451 HG12 ILE 451 14.776 -1.544 -12.447
42 HG13 ILE 451 HG11 ILE 451 15.753 -0.600 -13.572
43 HG21 ILE 451 HG21 ILE 451 16.225 -2.900 -10.764
44 HG22 ILE 451 HG22 ILE 451 17.154 -4.110 -11.648
45 HG23 ILE 451 HG23 ILE 451 15.451 -3.855 -12.027
46 HD11 ILE 451 HD11 ILE 451 15.323 -2.013 -15.350
47 HD12 ILE 451 HD12 ILE 451 13.823 -2.216 -14.446
48 HD13 ILE 451 HD13 ILE 451 15.103 -3.421 -14.314
49 H ILE 452 HN ILE 452 19.484 -3.021 -12.687
50 HA ILE 452 HA ILE 452 19.913 -4.313 -10.273
51 HB ILE 452 HB ILE 452 22.298 -4.665 -11.236
52 HG12 ILE 452 HG12 ILE 452 20.950 -3.474 -13.674
53 HG13 ILE 452 HG11 ILE 452 22.089 -2.571 -12.676
54 HG21 ILE 452 HG21 ILE 452 20.705 -6.409 -11.471
55 HG22 ILE 452 HG22 ILE 452 21.270 -6.097 -13.113
56 HG23 ILE 452 HG23 ILE 452 19.714 -5.463 -12.580
57 HD11 ILE 452 HD11 ILE 452 23.864 -3.634 -13.580
58 HD12 ILE 452 HD12 ILE 452 22.750 -4.249 -14.801
59 HD13 ILE 452 HD13 ILE 452 23.109 -5.215 -13.370
60 H ALA 453 HN ALA 453 21.358 -1.324 -11.491
61 HA ALA 453 HA ALA 453 23.299 -0.972 -9.483
62 HB1 ALA 453 HB1 ALA 453 21.937 0.764 -11.470
63 HB2 ALA 453 HB2 ALA 453 23.658 0.535 -11.164
64 HB3 ALA 453 HB3 ALA 453 22.704 1.574 -10.104
65 H TYR 454 HN TYR 454 19.889 -0.054 -9.654
66 HA TYR 454 HA TYR 454 19.927 1.327 -7.123
67 HB2 TYR 454 HB2 TYR 454 17.916 0.679 -9.206
68 HB3 TYR 454 HB1 TYR 454 17.305 0.905 -7.569
69 HD1 TYR 454 HD2 TYR 454 19.653 2.484 -10.031
70 HD2 TYR 454 HD1 TYR 454 16.875 3.077 -6.808
71 HE1 TYR 454 HE2 TYR 454 19.871 4.941 -10.295
72 HE2 TYR 454 HE1 TYR 454 17.093 5.532 -7.071
73 HH TYR 454 HH TYR 454 18.764 7.142 -7.977
74 H GLY 455 HN GLY 455 19.826 -1.917 -8.084
75 HA2 GLY 455 HA2 GLY 455 19.630 -3.864 -6.868
76 HA3 GLY 455 HA1 GLY 455 19.593 -2.876 -5.411
77 H GLY 456 HN GLY 456 17.434 -3.147 -8.240
78 HA2 GLY 456 HA2 GLY 456 15.157 -3.452 -8.390
79 HA3 GLY 456 HA1 GLY 456 15.334 -4.510 -6.993
80 H LEU 457 HN LEU 457 16.540 -1.517 -6.198
81 HA LEU 457 HA LEU 457 14.450 -0.956 -4.355
82 HB2 LEU 457 HB2 LEU 457 16.837 -0.300 -4.027
83 HB3 LEU 457 HB1 LEU 457 16.655 0.882 -5.318
84 HG LEU 457 HG LEU 457 14.827 1.979 -4.027
85 HD11 LEU 457 HD11 LEU 457 15.402 -0.317 -2.198
86 HD12 LEU 457 HD12 LEU 457 13.866 0.459 -2.579
87 HD13 LEU 457 HD13 LEU 457 14.991 1.234 -1.467
88 HD21 LEU 457 HD21 LEU 457 17.627 1.956 -3.472
89 HD22 LEU 457 HD22 LEU 457 16.776 2.131 -1.937
90 HD23 LEU 457 HD23 LEU 457 16.484 3.280 -3.242
91 H ARG 458 HN ARG 458 15.467 0.611 -7.384
92 HA ARG 458 HA ARG 458 14.273 1.839 -8.919
93 HB2 ARG 458 HB2 ARG 458 12.376 0.097 -7.886
94 HB3 ARG 458 HB1 ARG 458 11.651 1.684 -7.643
95 HG2 ARG 458 HG2 ARG 458 11.004 0.907 -9.841
96 HG3 ARG 458 HG1 ARG 458 12.159 2.221 -10.046
97 HD2 ARG 458 HD2 ARG 458 13.601 0.873 -11.126
98 HD3 ARG 458 HD1 ARG 458 13.541 -0.322 -9.836
99 HE ARG 458 HE ARG 458 12.096 -0.412 -12.324
100 HH11 ARG 458 HH21 ARG 458 12.097 -1.308 -8.983
101 HH12 ARG 458 HH22 ARG 458 11.068 -2.683 -9.208
102 HH21 ARG 458 HH11 ARG 458 10.749 -2.215 -12.629
103 HH22 ARG 458 HH12 ARG 458 10.306 -3.196 -11.273
104 H GLY 459 HN GLY 459 13.410 2.312 -5.522
105 HA2 GLY 459 HA2 GLY 459 13.563 4.283 -4.285
106 HA3 GLY 459 HA1 GLY 459 13.924 5.159 -5.770
107 H ALA 460 HN ALA 460 11.292 3.216 -6.323
108 HA ALA 460 HA ALA 460 9.350 5.275 -5.479
109 HB1 ALA 460 HB1 ALA 460 9.894 4.220 -8.215
110 HB2 ALA 460 HB2 ALA 460 9.403 5.838 -7.708
111 HB3 ALA 460 HB3 ALA 460 8.216 4.535 -7.772
112 H ILE 461 HN ILE 461 10.025 1.942 -6.336
113 HA ILE 461 HA ILE 461 7.367 0.989 -5.800
114 HB ILE 461 HB ILE 461 10.027 -0.262 -6.373
115 HG12 ILE 461 HG12 ILE 461 8.797 -1.245 -8.216
116 HG13 ILE 461 HG11 ILE 461 7.261 -0.712 -7.533
117 HG21 ILE 461 HG21 ILE 461 7.648 -1.589 -5.076
118 HG22 ILE 461 HG22 ILE 461 9.354 -1.734 -4.653
119 HG23 ILE 461 HG23 ILE 461 8.741 -2.498 -6.118
120 HD11 ILE 461 HD11 ILE 461 9.406 1.298 -8.171
121 HD12 ILE 461 HD12 ILE 461 7.664 1.541 -8.053
122 HD13 ILE 461 HD13 ILE 461 8.346 0.700 -9.445
123 H ALA 462 HN ALA 462 10.428 1.098 -4.016
124 HA ALA 462 HA ALA 462 9.700 -0.392 -1.775
125 HB1 ALA 462 HB1 ALA 462 11.776 1.523 -2.471
126 HB2 ALA 462 HB2 ALA 462 11.859 0.115 -1.413
127 HB3 ALA 462 HB3 ALA 462 11.294 1.661 -0.780
128 H PHE 463 HN PHE 463 8.947 2.917 -2.652
129 HA PHE 463 HA PHE 463 7.735 3.462 -0.052
130 HB2 PHE 463 HB2 PHE 463 8.425 5.521 -0.623
131 HB3 PHE 463 HB1 PHE 463 8.699 5.038 -2.296
132 HD1 PHE 463 HD1 PHE 463 6.125 6.194 0.119
133 HD2 PHE 463 HD2 PHE 463 7.085 5.484 -4.006
134 HE1 PHE 463 HE1 PHE 463 4.065 7.394 -0.567
135 HE2 PHE 463 HE2 PHE 463 5.025 6.682 -4.693
136 HZ PHE 463 HZ PHE 463 3.515 7.637 -2.974
137 H SER 464 HN SER 464 6.748 3.122 -3.450
138 HA SER 464 HA SER 464 4.027 3.653 -3.177
139 HB2 SER 464 HB2 SER 464 5.252 3.285 -5.337
140 HB3 SER 464 HB1 SER 464 5.239 1.558 -4.992
141 HG SER 464 HG SER 464 2.959 3.247 -5.171
142 H LEU 465 HN LEU 465 5.838 0.702 -2.501
143 HA LEU 465 HA LEU 465 3.383 -0.729 -1.822
144 HB2 LEU 465 HB2 LEU 465 4.638 -2.365 -2.727
145 HB3 LEU 465 HB1 LEU 465 6.126 -1.449 -2.550
146 HG LEU 465 HG LEU 465 4.798 -2.875 -0.220
147 HD11 LEU 465 HD11 LEU 465 6.635 -3.876 -2.360
148 HD12 LEU 465 HD12 LEU 465 5.284 -4.691 -1.572
149 HD13 LEU 465 HD13 LEU 465 6.813 -4.494 -0.718
150 HD21 LEU 465 HD21 LEU 465 6.492 -1.962 0.973
151 HD22 LEU 465 HD22 LEU 465 7.010 -1.077 -0.462
152 HD23 LEU 465 HD23 LEU 465 7.667 -2.678 -0.127
153 H GLY 466 HN GLY 466 5.978 0.999 -0.320
154 HA2 GLY 466 HA2 GLY 466 5.371 -0.058 2.339
155 HA3 GLY 466 HA1 GLY 466 6.651 1.082 1.936
156 H TYR 467 HN TYR 467 3.956 2.126 0.363
157 HA TYR 467 HA TYR 467 3.498 4.225 2.333
158 HB2 TYR 467 HB2 TYR 467 3.539 5.285 0.318
159 HB3 TYR 467 HB1 TYR 467 3.004 3.855 -0.563
160 HD1 TYR 467 HD2 TYR 467 1.776 6.419 1.878
161 HD2 TYR 467 HD1 TYR 467 0.783 3.701 -1.297
162 HE1 TYR 467 HE2 TYR 467 -0.539 7.308 1.841
163 HE2 TYR 467 HE1 TYR 467 -1.532 4.591 -1.334
164 HH TYR 467 HH TYR 467 -2.463 7.334 -0.250
165 H LEU 468 HN LEU 468 1.746 1.580 0.780
166 HA LEU 468 HA LEU 468 -0.813 2.195 1.819
167 HB2 LEU 468 HB2 LEU 468 0.336 -0.490 1.021
168 HB3 LEU 468 HB1 LEU 468 -1.375 -0.133 1.255
169 HG LEU 468 HG LEU 468 -0.435 1.869 -0.481
170 HD11 LEU 468 HD11 LEU 468 1.560 0.341 -0.797
171 HD12 LEU 468 HD12 LEU 468 0.658 0.682 -2.273
172 HD13 LEU 468 HD13 LEU 468 0.450 -0.864 -1.448
173 HD21 LEU 468 HD21 LEU 468 -2.662 0.782 -0.483
174 HD22 LEU 468 HD22 LEU 468 -1.930 -0.702 -1.092
175 HD23 LEU 468 HD23 LEU 468 -1.933 0.752 -2.089
176 H LEU 469 HN LEU 469 1.003 -0.710 2.753
177 HA LEU 469 HA LEU 469 -0.227 -1.214 5.144
178 HB2 LEU 469 HB2 LEU 469 1.841 -2.375 5.837
179 HB3 LEU 469 HB1 LEU 469 1.420 -2.735 4.162
180 HG LEU 469 HG LEU 469 2.988 -0.479 3.904
181 HD11 LEU 469 HD11 LEU 469 4.889 -0.680 5.322
182 HD12 LEU 469 HD12 LEU 469 4.374 -2.258 5.917
183 HD13 LEU 469 HD13 LEU 469 3.499 -0.806 6.399
184 HD21 LEU 469 HD21 LEU 469 4.758 -2.152 3.201
185 HD22 LEU 469 HD22 LEU 469 3.175 -2.416 2.473
186 HD23 LEU 469 HD23 LEU 469 3.705 -3.424 3.819
187 H ASP 470 HN ASP 470 1.785 1.442 4.397
188 HA ASP 470 HA ASP 470 2.536 2.001 7.151
189 HB2 ASP 470 HB2 ASP 470 4.167 2.706 5.616
190 HB3 ASP 470 HB1 ASP 470 2.969 3.390 4.519
191 H LYS 471 HN LYS 471 0.334 3.316 4.698
192 HA LYS 471 HA LYS 471 -0.889 5.037 6.756
193 HB2 LYS 471 HB2 LYS 471 -1.036 5.080 3.736
194 HB3 LYS 471 HB1 LYS 471 -2.006 6.121 4.779
195 HG2 LYS 471 HG2 LYS 471 0.846 6.118 5.473
196 HG3 LYS 471 HG1 LYS 471 0.524 6.725 3.849
197 HD2 LYS 471 HD2 LYS 471 -1.107 8.321 4.737
198 HD3 LYS 471 HD1 LYS 471 -0.870 7.685 6.365
199 HE2 LYS 471 HE2 LYS 471 1.534 8.623 4.850
200 HE3 LYS 471 HE1 LYS 471 0.454 9.837 5.537
201 HZ1 LYS 471 HZ1 LYS 471 0.636 8.554 7.672
202 HZ2 LYS 471 HZ2 LYS 471 2.050 9.356 7.179
203 HZ3 LYS 471 HZ3 LYS 471 1.900 7.678 6.960
204 H LYS 472 HN LYS 472 -1.960 3.083 3.963
205 HA LYS 472 HA LYS 472 -4.636 2.852 4.718
206 HB2 LYS 472 HB2 LYS 472 -3.693 2.224 2.486
207 HB3 LYS 472 HB1 LYS 472 -3.000 0.785 3.229
208 HG2 LYS 472 HG2 LYS 472 -5.124 0.197 2.184
209 HG3 LYS 472 HG1 LYS 472 -5.286 0.077 3.933
210 HD2 LYS 472 HD2 LYS 472 -6.684 1.905 4.069
211 HD3 LYS 472 HD1 LYS 472 -5.958 2.701 2.674
212 HE2 LYS 472 HE2 LYS 472 -7.048 1.097 1.167
213 HE3 LYS 472 HE1 LYS 472 -7.744 0.253 2.550
214 HZ1 LYS 472 HZ1 LYS 472 -8.630 2.628 3.103
215 HZ2 LYS 472 HZ2 LYS 472 -9.447 1.642 1.987
216 HZ3 LYS 472 HZ3 LYS 472 -8.422 2.881 1.439
217 HN1 NH2 473 H1 NH2 473 -5.252 2.108 6.756
218 HN2 NH2 473 H2 NH2 473 -4.675 0.681 7.473
Start of MODEL 22
1 H1 ACE 446 HA2 ACE 446 20.787 -0.027 -19.990
2 H2 ACE 446 HA3 ACE 446 20.797 1.716 -20.257
3 H3 ACE 446 HA1 ACE 446 19.736 0.683 -21.215
4 H LYS 447 HN LYS 447 17.840 -0.146 -20.280
5 HA LYS 447 HA LYS 447 16.820 1.427 -18.048
6 HB2 LYS 447 HB2 LYS 447 15.588 0.834 -20.268
7 HB3 LYS 447 HB1 LYS 447 15.274 -0.711 -19.477
8 HG2 LYS 447 HG2 LYS 447 14.371 0.595 -17.503
9 HG3 LYS 447 HG1 LYS 447 14.480 2.043 -18.505
10 HD2 LYS 447 HD2 LYS 447 12.306 1.416 -18.978
11 HD3 LYS 447 HD1 LYS 447 13.151 0.514 -20.235
12 HE2 LYS 447 HE2 LYS 447 13.314 -1.326 -18.323
13 HE3 LYS 447 HE1 LYS 447 11.895 -0.480 -17.708
14 HZ1 LYS 447 HZ1 LYS 447 12.122 -1.375 -20.521
15 HZ2 LYS 447 HZ2 LYS 447 10.727 -0.871 -19.691
16 HZ3 LYS 447 HZ3 LYS 447 11.461 -2.355 -19.304
17 H ASP 448 HN ASP 448 17.879 -1.822 -18.736
18 HA ASP 448 HA ASP 448 16.871 -2.780 -16.145
19 HB2 ASP 448 HB2 ASP 448 17.458 -5.002 -16.934
20 HB3 ASP 448 HB1 ASP 448 16.501 -4.180 -18.164
21 H GLN 449 HN GLN 449 19.594 -1.390 -17.490
22 HA GLN 449 HA GLN 449 21.516 -2.761 -15.773
23 HB2 GLN 449 HB2 GLN 449 22.906 -2.251 -17.444
24 HB3 GLN 449 HB1 GLN 449 21.627 -1.356 -18.253
25 HG2 GLN 449 HG2 GLN 449 22.204 0.655 -16.929
26 HG3 GLN 449 HG1 GLN 449 23.503 -0.253 -16.142
27 HE21 GLN 449 HE21 GLN 449 25.103 -1.309 -17.828
28 HE22 GLN 449 HE22 GLN 449 25.506 -0.344 -19.165
29 H PHE 450 HN PHE 450 19.521 0.018 -15.796
30 HA PHE 450 HA PHE 450 21.091 1.463 -13.815
31 HB2 PHE 450 HB2 PHE 450 19.979 3.211 -14.663
32 HB3 PHE 450 HB1 PHE 450 19.050 2.124 -15.692
33 HD1 PHE 450 HD2 PHE 450 19.171 3.701 -12.325
34 HD2 PHE 450 HD1 PHE 450 16.782 1.576 -15.194
35 HE1 PHE 450 HE2 PHE 450 17.143 4.147 -10.968
36 HE2 PHE 450 HE1 PHE 450 14.754 2.024 -13.836
37 HZ PHE 450 HZ PHE 450 14.935 3.309 -11.724
38 H ILE 451 HN ILE 451 18.632 -0.911 -13.915
39 HA ILE 451 HA ILE 451 17.489 -0.310 -11.326
40 HB ILE 451 HB ILE 451 17.165 -2.503 -13.350
41 HG12 ILE 451 HG12 ILE 451 15.043 -0.906 -11.921
42 HG13 ILE 451 HG11 ILE 451 15.928 -0.210 -13.281
43 HG21 ILE 451 HG21 ILE 451 15.434 -3.400 -11.625
44 HG22 ILE 451 HG22 ILE 451 16.411 -2.545 -10.433
45 HG23 ILE 451 HG23 ILE 451 17.131 -3.829 -11.405
46 HD11 ILE 451 HD11 ILE 451 15.062 -1.747 -14.805
47 HD12 ILE 451 HD12 ILE 451 13.690 -1.524 -13.720
48 HD13 ILE 451 HD13 ILE 451 14.720 -2.946 -13.557
49 H ILE 452 HN ILE 452 19.604 -2.854 -12.660
50 HA ILE 452 HA ILE 452 20.050 -4.309 -10.335
51 HB ILE 452 HB ILE 452 22.099 -5.092 -11.379
52 HG12 ILE 452 HG12 ILE 452 22.320 -3.712 -13.776
53 HG13 ILE 452 HG11 ILE 452 21.976 -2.433 -12.611
54 HG21 ILE 452 HG21 ILE 452 19.546 -5.091 -12.586
55 HG22 ILE 452 HG22 ILE 452 20.857 -6.236 -12.869
56 HG23 ILE 452 HG23 ILE 452 20.698 -4.808 -13.890
57 HD11 ILE 452 HD11 ILE 452 24.191 -4.495 -12.421
58 HD12 ILE 452 HD12 ILE 452 23.804 -3.327 -11.157
59 HD13 ILE 452 HD13 ILE 452 24.386 -2.769 -12.725
60 H ALA 453 HN ALA 453 21.169 -1.162 -11.227
61 HA ALA 453 HA ALA 453 23.317 -1.096 -9.278
62 HB1 ALA 453 HB1 ALA 453 23.977 0.776 -10.356
63 HB2 ALA 453 HB2 ALA 453 22.356 1.469 -10.336
64 HB3 ALA 453 HB3 ALA 453 22.803 0.306 -11.584
65 H TYR 454 HN TYR 454 19.932 -0.381 -9.385
66 HA TYR 454 HA TYR 454 20.087 0.596 -6.607
67 HB2 TYR 454 HB2 TYR 454 18.448 1.832 -8.831
68 HB3 TYR 454 HB1 TYR 454 18.306 2.249 -7.123
69 HD1 TYR 454 HD2 TYR 454 20.564 2.877 -5.914
70 HD2 TYR 454 HD1 TYR 454 19.960 3.023 -10.165
71 HE1 TYR 454 HE2 TYR 454 22.472 4.447 -6.131
72 HE2 TYR 454 HE1 TYR 454 21.868 4.592 -10.382
73 HH TYR 454 HH TYR 454 23.274 6.155 -7.700
74 H GLY 455 HN GLY 455 17.293 0.391 -8.753
75 HA2 GLY 455 HA2 GLY 455 15.468 -0.709 -7.095
76 HA3 GLY 455 HA1 GLY 455 15.519 -1.109 -8.807
77 H GLY 456 HN GLY 456 18.265 -2.319 -8.358
78 HA2 GLY 456 HA2 GLY 456 17.282 -4.934 -7.418
79 HA3 GLY 456 HA1 GLY 456 18.658 -4.681 -8.488
80 H LEU 457 HN LEU 457 19.791 -2.518 -6.913
81 HA LEU 457 HA LEU 457 21.276 -4.116 -5.033
82 HB2 LEU 457 HB2 LEU 457 22.495 -2.455 -6.261
83 HB3 LEU 457 HB1 LEU 457 21.370 -1.188 -5.785
84 HG LEU 457 HG LEU 457 22.111 -1.278 -3.494
85 HD11 LEU 457 HD11 LEU 457 24.043 -2.922 -2.966
86 HD12 LEU 457 HD12 LEU 457 23.512 -3.791 -4.406
87 HD13 LEU 457 HD13 LEU 457 22.409 -3.581 -3.046
88 HD21 LEU 457 HD21 LEU 457 24.460 -0.673 -3.737
89 HD22 LEU 457 HD22 LEU 457 23.562 -0.059 -5.124
90 HD23 LEU 457 HD23 LEU 457 24.547 -1.514 -5.285
91 H ARG 458 HN ARG 458 19.844 -0.908 -4.477
92 HA ARG 458 HA ARG 458 18.500 -0.118 -2.777
93 HB2 ARG 458 HB2 ARG 458 17.574 -2.656 -3.076
94 HB3 ARG 458 HB1 ARG 458 18.169 -2.719 -1.417
95 HG2 ARG 458 HG2 ARG 458 15.953 -1.959 -1.167
96 HG3 ARG 458 HG1 ARG 458 16.902 -0.474 -1.104
97 HD2 ARG 458 HD2 ARG 458 15.476 0.242 -2.722
98 HD3 ARG 458 HD1 ARG 458 16.484 -0.720 -3.797
99 HE ARG 458 HE ARG 458 14.701 -2.173 -4.040
100 HH11 ARG 458 HH21 ARG 458 14.365 -0.304 -1.147
101 HH12 ARG 458 HH22 ARG 458 12.792 -0.920 -0.766
102 HH21 ARG 458 HH11 ARG 458 12.638 -2.987 -3.546
103 HH22 ARG 458 HH12 ARG 458 11.814 -2.440 -2.125
104 H GLY 459 HN GLY 459 20.988 -2.484 -2.042
105 HA2 GLY 459 HA2 GLY 459 22.799 -2.235 -0.592
106 HA3 GLY 459 HA1 GLY 459 22.083 -0.740 0.004
107 H ALA 460 HN ALA 460 19.477 -2.286 0.346
108 HA ALA 460 HA ALA 460 20.152 -3.410 2.987
109 HB1 ALA 460 HB1 ALA 460 18.367 -2.279 3.725
110 HB2 ALA 460 HB2 ALA 460 17.331 -3.142 2.589
111 HB3 ALA 460 HB3 ALA 460 18.115 -1.641 2.099
112 H ILE 461 HN ILE 461 18.893 -4.188 -0.133
113 HA ILE 461 HA ILE 461 17.787 -6.741 0.754
114 HB ILE 461 HB ILE 461 17.797 -5.191 -1.811
115 HG12 ILE 461 HG12 ILE 461 15.403 -5.521 -1.640
116 HG13 ILE 461 HG11 ILE 461 15.610 -6.692 -0.338
117 HG21 ILE 461 HG21 ILE 461 18.398 -7.291 -2.704
118 HG22 ILE 461 HG22 ILE 461 16.636 -7.304 -2.770
119 HG23 ILE 461 HG23 ILE 461 17.474 -8.174 -1.487
120 HD11 ILE 461 HD11 ILE 461 16.244 -5.044 1.213
121 HD12 ILE 461 HD12 ILE 461 14.977 -4.242 0.285
122 HD13 ILE 461 HD13 ILE 461 16.671 -3.889 -0.049
123 H ALA 462 HN ALA 462 20.519 -5.456 -1.068
124 HA ALA 462 HA ALA 462 21.537 -7.913 -2.021
125 HB1 ALA 462 HB1 ALA 462 22.827 -5.246 -1.447
126 HB2 ALA 462 HB2 ALA 462 22.379 -5.927 -3.012
127 HB3 ALA 462 HB3 ALA 462 23.729 -6.610 -2.107
128 H PHE 463 HN PHE 463 21.721 -6.325 1.075
129 HA PHE 463 HA PHE 463 23.896 -7.965 2.053
130 HB2 PHE 463 HB2 PHE 463 24.011 -6.181 3.413
131 HB3 PHE 463 HB1 PHE 463 22.386 -5.653 2.970
132 HD1 PHE 463 HD1 PHE 463 24.335 -7.848 5.232
133 HD2 PHE 463 HD2 PHE 463 20.468 -6.223 4.306
134 HE1 PHE 463 HE1 PHE 463 23.473 -8.662 7.411
135 HE2 PHE 463 HE2 PHE 463 19.606 -7.036 6.486
136 HZ PHE 463 HZ PHE 463 21.109 -8.255 8.039
137 H SER 464 HN SER 464 20.406 -7.695 2.740
138 HA SER 464 HA SER 464 20.247 -9.853 4.532
139 HB2 SER 464 HB2 SER 464 18.371 -8.464 4.526
140 HB3 SER 464 HB1 SER 464 18.260 -8.453 2.768
141 HG SER 464 HG SER 464 16.877 -10.007 3.056
142 H LEU 465 HN LEU 465 20.837 -9.835 1.190
143 HA LEU 465 HA LEU 465 19.724 -12.494 0.724
144 HB2 LEU 465 HB2 LEU 465 20.615 -10.264 -0.924
145 HB3 LEU 465 HB1 LEU 465 21.255 -11.806 -1.490
146 HG LEU 465 HG LEU 465 18.988 -12.763 -1.494
147 HD11 LEU 465 HD11 LEU 465 17.323 -10.522 -1.301
148 HD12 LEU 465 HD12 LEU 465 18.449 -10.352 0.045
149 HD13 LEU 465 HD13 LEU 465 17.478 -11.814 -0.110
150 HD21 LEU 465 HD21 LEU 465 20.004 -11.212 -3.389
151 HD22 LEU 465 HD22 LEU 465 18.682 -10.143 -2.921
152 HD23 LEU 465 HD23 LEU 465 18.336 -11.775 -3.496
153 H GLY 466 HN GLY 466 22.927 -10.927 0.537
154 HA2 GLY 466 HA2 GLY 466 24.278 -13.485 0.383
155 HA3 GLY 466 HA1 GLY 466 25.040 -11.900 0.432
156 H TYR 467 HN TYR 467 23.032 -11.577 2.868
157 HA TYR 467 HA TYR 467 24.896 -11.710 4.919
158 HB2 TYR 467 HB2 TYR 467 23.120 -10.553 5.709
159 HB3 TYR 467 HB1 TYR 467 21.970 -11.461 4.727
160 HD1 TYR 467 HD2 TYR 467 24.214 -11.851 7.700
161 HD2 TYR 467 HD1 TYR 467 20.591 -13.064 5.738
162 HE1 TYR 467 HE2 TYR 467 23.601 -13.217 9.678
163 HE2 TYR 467 HE1 TYR 467 19.977 -14.429 7.715
164 HH TYR 467 HH TYR 467 20.451 -14.737 9.953
165 H LEU 468 HN LEU 468 22.626 -14.185 3.801
166 HA LEU 468 HA LEU 468 23.089 -16.047 5.878
167 HB2 LEU 468 HB2 LEU 468 22.234 -16.535 3.014
168 HB3 LEU 468 HB1 LEU 468 22.105 -17.698 4.335
169 HG LEU 468 HG LEU 468 20.921 -15.351 5.318
170 HD11 LEU 468 HD11 LEU 468 19.217 -14.839 3.605
171 HD12 LEU 468 HD12 LEU 468 20.008 -15.951 2.487
172 HD13 LEU 468 HD13 LEU 468 20.839 -14.485 3.008
173 HD21 LEU 468 HD21 LEU 468 20.150 -17.583 5.848
174 HD22 LEU 468 HD22 LEU 468 19.766 -17.905 4.158
175 HD23 LEU 468 HD23 LEU 468 18.817 -16.730 5.070
176 H LEU 469 HN LEU 469 24.134 -16.451 2.493
177 HA LEU 469 HA LEU 469 26.043 -18.410 2.982
178 HB2 LEU 469 HB2 LEU 469 27.146 -17.281 0.833
179 HB3 LEU 469 HB1 LEU 469 25.668 -18.231 0.729
180 HG LEU 469 HG LEU 469 25.377 -15.321 1.336
181 HD11 LEU 469 HD11 LEU 469 27.027 -15.216 -0.427
182 HD12 LEU 469 HD12 LEU 469 25.454 -14.844 -1.135
183 HD13 LEU 469 HD13 LEU 469 26.168 -16.440 -1.365
184 HD21 LEU 469 HD21 LEU 469 23.287 -15.612 0.357
185 HD22 LEU 469 HD22 LEU 469 23.571 -17.247 0.954
186 HD23 LEU 469 HD23 LEU 469 23.863 -16.865 -0.742
187 H ASP 470 HN ASP 470 26.118 -15.187 3.954
188 HA ASP 470 HA ASP 470 29.045 -15.024 3.978
189 HB2 ASP 470 HB2 ASP 470 26.849 -13.071 4.651
190 HB3 ASP 470 HB1 ASP 470 28.538 -12.748 5.029
191 H LYS 471 HN LYS 471 26.300 -15.389 6.139
192 HA LYS 471 HA LYS 471 28.158 -15.668 8.426
193 HB2 LYS 471 HB2 LYS 471 25.182 -15.106 8.475
194 HB3 LYS 471 HB1 LYS 471 26.271 -15.130 9.863
195 HG2 LYS 471 HG2 LYS 471 26.476 -13.228 7.507
196 HG3 LYS 471 HG1 LYS 471 25.837 -12.815 9.097
197 HD2 LYS 471 HD2 LYS 471 28.163 -13.756 9.932
198 HD3 LYS 471 HD1 LYS 471 28.665 -13.382 8.283
199 HE2 LYS 471 HE2 LYS 471 27.593 -11.496 10.383
200 HE3 LYS 471 HE1 LYS 471 29.116 -11.399 9.501
201 HZ1 LYS 471 HZ1 LYS 471 27.382 -11.373 7.490
202 HZ2 LYS 471 HZ2 LYS 471 27.953 -9.963 8.246
203 HZ3 LYS 471 HZ3 LYS 471 26.445 -10.613 8.682
204 H LYS 472 HN LYS 472 25.093 -16.965 7.135
205 HA LYS 472 HA LYS 472 24.694 -19.152 8.698
206 HB2 LYS 472 HB2 LYS 472 23.665 -18.300 6.317
207 HB3 LYS 472 HB1 LYS 472 24.491 -19.778 5.825
208 HG2 LYS 472 HG2 LYS 472 22.470 -19.542 8.076
209 HG3 LYS 472 HG1 LYS 472 22.176 -20.271 6.498
210 HD2 LYS 472 HD2 LYS 472 24.330 -21.700 7.166
211 HD3 LYS 472 HD1 LYS 472 23.778 -21.311 8.794
212 HE2 LYS 472 HE2 LYS 472 21.520 -22.180 8.206
213 HE3 LYS 472 HE1 LYS 472 22.136 -22.640 6.619
214 HZ1 LYS 472 HZ1 LYS 472 22.459 -23.947 9.146
215 HZ2 LYS 472 HZ2 LYS 472 23.942 -23.701 8.353
216 HZ3 LYS 472 HZ3 LYS 472 22.691 -24.553 7.578
217 HN1 NH2 473 H1 NH2 473 26.650 -19.416 5.669
218 HN2 NH2 473 H2 NH2 473 27.645 -20.658 6.260
Start of MODEL 23
1 H1 ACE 446 HA2 ACE 446 20.511 1.046 -20.345
2 H2 ACE 446 HA3 ACE 446 19.815 2.292 -21.380
3 H3 ACE 446 HA1 ACE 446 19.707 0.595 -21.848
4 H LYS 447 HN LYS 447 18.994 -0.511 -19.365
5 HA LYS 447 HA LYS 447 16.627 0.856 -18.389
6 HB2 LYS 447 HB2 LYS 447 16.020 -0.431 -20.560
7 HB3 LYS 447 HB1 LYS 447 16.228 -1.878 -19.580
8 HG2 LYS 447 HG2 LYS 447 13.915 -1.350 -19.403
9 HG3 LYS 447 HG1 LYS 447 14.635 -0.800 -17.891
10 HD2 LYS 447 HD2 LYS 447 14.822 1.354 -19.765
11 HD3 LYS 447 HD1 LYS 447 13.176 0.734 -19.816
12 HE2 LYS 447 HE2 LYS 447 14.653 1.463 -17.272
13 HE3 LYS 447 HE1 LYS 447 13.483 2.502 -18.083
14 HZ1 LYS 447 HZ1 LYS 447 12.098 1.444 -16.661
15 HZ2 LYS 447 HZ2 LYS 447 13.057 0.042 -16.571
16 HZ3 LYS 447 HZ3 LYS 447 12.053 0.306 -17.916
17 H ASP 448 HN ASP 448 17.703 -2.540 -18.561
18 HA ASP 448 HA ASP 448 17.139 -3.052 -15.825
19 HB2 ASP 448 HB2 ASP 448 17.850 -4.563 -18.081
20 HB3 ASP 448 HB1 ASP 448 19.141 -4.833 -16.911
21 H GLN 449 HN GLN 449 19.917 -1.807 -17.510
22 HA GLN 449 HA GLN 449 21.861 -2.339 -15.493
23 HB2 GLN 449 HB2 GLN 449 21.709 -0.557 -17.894
24 HB3 GLN 449 HB1 GLN 449 22.999 -0.305 -16.719
25 HG2 GLN 449 HG2 GLN 449 22.478 -3.103 -17.620
26 HG3 GLN 449 HG1 GLN 449 23.279 -2.016 -18.751
27 HE21 GLN 449 HE21 GLN 449 23.521 -3.034 -15.294
28 HE22 GLN 449 HE22 GLN 449 25.216 -2.954 -15.245
29 H PHE 450 HN PHE 450 19.257 -0.170 -15.653
30 HA PHE 450 HA PHE 450 20.473 1.809 -13.881
31 HB2 PHE 450 HB2 PHE 450 17.781 1.587 -15.223
32 HB3 PHE 450 HB1 PHE 450 18.131 2.823 -14.015
33 HD1 PHE 450 HD1 PHE 450 20.040 4.430 -14.403
34 HD2 PHE 450 HD2 PHE 450 18.599 1.772 -17.454
35 HE1 PHE 450 HE1 PHE 450 21.168 5.805 -16.133
36 HE2 PHE 450 HE2 PHE 450 19.726 3.147 -19.184
37 HZ PHE 450 HZ PHE 450 21.010 5.163 -18.523
38 H ILE 451 HN ILE 451 17.908 -0.639 -13.832
39 HA ILE 451 HA ILE 451 17.199 -0.150 -11.091
40 HB ILE 451 HB ILE 451 16.589 -2.452 -12.959
41 HG12 ILE 451 HG12 ILE 451 14.519 -0.569 -11.960
42 HG13 ILE 451 HG11 ILE 451 15.686 0.103 -13.101
43 HG21 ILE 451 HG21 ILE 451 14.666 -2.470 -11.005
44 HG22 ILE 451 HG22 ILE 451 16.103 -2.042 -10.078
45 HG23 ILE 451 HG23 ILE 451 16.074 -3.531 -11.023
46 HD11 ILE 451 HD11 ILE 451 15.076 -1.394 -14.804
47 HD12 ILE 451 HD12 ILE 451 13.530 -1.020 -14.044
48 HD13 ILE 451 HD13 ILE 451 14.352 -2.535 -13.670
49 H ILE 452 HN ILE 452 18.940 -2.776 -12.765
50 HA ILE 452 HA ILE 452 19.623 -4.282 -10.515
51 HB ILE 452 HB ILE 452 20.985 -3.905 -13.181
52 HG12 ILE 452 HG12 ILE 452 19.579 -6.312 -11.997
53 HG13 ILE 452 HG11 ILE 452 18.736 -5.086 -12.943
54 HG21 ILE 452 HG21 ILE 452 22.795 -4.539 -11.798
55 HG22 ILE 452 HG22 ILE 452 22.202 -6.068 -12.446
56 HG23 ILE 452 HG23 ILE 452 21.781 -5.585 -10.804
57 HD11 ILE 452 HD11 ILE 452 19.529 -7.096 -14.272
58 HD12 ILE 452 HD12 ILE 452 21.180 -6.563 -13.951
59 HD13 ILE 452 HD13 ILE 452 20.087 -5.537 -14.880
60 H ALA 453 HN ALA 453 20.558 -1.150 -11.297
61 HA ALA 453 HA ALA 453 23.163 -1.291 -9.984
62 HB1 ALA 453 HB1 ALA 453 22.496 1.394 -10.430
63 HB2 ALA 453 HB2 ALA 453 21.838 0.522 -11.814
64 HB3 ALA 453 HB3 ALA 453 23.552 0.387 -11.421
65 H TYR 454 HN TYR 454 19.891 -0.170 -9.376
66 HA TYR 454 HA TYR 454 20.642 0.311 -6.566
67 HB2 TYR 454 HB2 TYR 454 18.749 2.096 -8.105
68 HB3 TYR 454 HB1 TYR 454 19.365 2.336 -6.470
69 HD1 TYR 454 HD2 TYR 454 22.071 2.178 -6.349
70 HD2 TYR 454 HD1 TYR 454 19.773 3.353 -9.783
71 HE1 TYR 454 HE2 TYR 454 24.040 3.384 -7.255
72 HE2 TYR 454 HE1 TYR 454 21.742 4.557 -10.689
73 HH TYR 454 HH TYR 454 24.556 4.139 -10.160
74 H GLY 455 HN GLY 455 17.622 0.689 -8.407
75 HA2 GLY 455 HA2 GLY 455 15.821 -0.242 -6.606
76 HA3 GLY 455 HA1 GLY 455 15.651 -0.536 -8.335
77 H GLY 456 HN GLY 456 18.203 -2.129 -8.294
78 HA2 GLY 456 HA2 GLY 456 17.001 -4.640 -7.318
79 HA3 GLY 456 HA1 GLY 456 18.222 -4.517 -8.580
80 H LEU 457 HN LEU 457 20.200 -3.063 -7.565
81 HA LEU 457 HA LEU 457 21.717 -4.737 -6.022
82 HB2 LEU 457 HB2 LEU 457 22.753 -2.854 -7.077
83 HB3 LEU 457 HB1 LEU 457 21.751 -1.718 -6.176
84 HG LEU 457 HG LEU 457 22.860 -2.263 -4.104
85 HD11 LEU 457 HD11 LEU 457 24.035 -4.517 -5.731
86 HD12 LEU 457 HD12 LEU 457 23.190 -4.602 -4.185
87 HD13 LEU 457 HD13 LEU 457 24.826 -3.949 -4.262
88 HD21 LEU 457 HD21 LEU 457 25.189 -2.236 -5.985
89 HD22 LEU 457 HD22 LEU 457 24.903 -1.262 -4.543
90 HD23 LEU 457 HD23 LEU 457 24.051 -0.890 -6.043
91 H ARG 458 HN ARG 458 20.220 -1.788 -4.671
92 HA ARG 458 HA ARG 458 20.600 -2.205 -2.013
93 HB2 ARG 458 HB2 ARG 458 18.426 -0.916 -3.582
94 HB3 ARG 458 HB1 ARG 458 18.104 -1.223 -1.878
95 HG2 ARG 458 HG2 ARG 458 19.088 1.005 -2.156
96 HG3 ARG 458 HG1 ARG 458 20.207 -0.038 -1.281
97 HD2 ARG 458 HD2 ARG 458 21.437 -0.479 -3.376
98 HD3 ARG 458 HD1 ARG 458 20.309 0.547 -4.255
99 HE ARG 458 HE ARG 458 21.354 2.426 -3.331
100 HH11 ARG 458 HH21 ARG 458 22.431 -0.518 -1.864
101 HH12 ARG 458 HH22 ARG 458 23.758 0.220 -1.032
102 HH21 ARG 458 HH11 ARG 458 23.094 3.400 -2.245
103 HH22 ARG 458 HH12 ARG 458 24.134 2.440 -1.248
104 H GLY 459 HN GLY 459 18.668 -4.116 -4.113
105 HA2 GLY 459 HA2 GLY 459 16.951 -5.269 -2.127
106 HA3 GLY 459 HA1 GLY 459 17.224 -5.884 -3.754
107 H ALA 460 HN ALA 460 19.772 -5.272 -1.411
108 HA ALA 460 HA ALA 460 20.088 -8.167 -0.969
109 HB1 ALA 460 HB1 ALA 460 22.522 -7.957 -1.338
110 HB2 ALA 460 HB2 ALA 460 22.292 -6.278 -1.829
111 HB3 ALA 460 HB3 ALA 460 21.605 -7.581 -2.798
112 H ILE 461 HN ILE 461 21.569 -5.024 -0.142
113 HA ILE 461 HA ILE 461 22.610 -5.691 2.333
114 HB ILE 461 HB ILE 461 21.557 -3.131 1.175
115 HG12 ILE 461 HG12 ILE 461 23.932 -2.503 1.377
116 HG13 ILE 461 HG11 ILE 461 24.276 -4.036 2.179
117 HG21 ILE 461 HG21 ILE 461 22.620 -2.096 3.312
118 HG22 ILE 461 HG22 ILE 461 22.347 -3.684 4.030
119 HG23 ILE 461 HG23 ILE 461 20.983 -2.744 3.426
120 HD11 ILE 461 HD11 ILE 461 24.779 -3.947 -0.326
121 HD12 ILE 461 HD12 ILE 461 23.034 -3.897 -0.574
122 HD13 ILE 461 HD13 ILE 461 23.773 -5.292 0.213
123 H ALA 462 HN ALA 462 19.309 -4.775 1.481
124 HA ALA 462 HA ALA 462 18.292 -4.506 4.099
125 HB1 ALA 462 HB1 ALA 462 17.215 -3.884 1.822
126 HB2 ALA 462 HB2 ALA 462 16.167 -4.473 3.114
127 HB3 ALA 462 HB3 ALA 462 16.652 -5.555 1.810
128 H PHE 463 HN PHE 463 19.005 -7.285 2.130
129 HA PHE 463 HA PHE 463 17.508 -9.110 3.838
130 HB2 PHE 463 HB2 PHE 463 17.481 -10.244 1.901
131 HB3 PHE 463 HB1 PHE 463 18.724 -9.204 1.207
132 HD1 PHE 463 HD2 PHE 463 18.171 -12.165 3.395
133 HD2 PHE 463 HD1 PHE 463 20.996 -9.905 1.076
134 HE1 PHE 463 HE2 PHE 463 19.841 -13.979 3.661
135 HE2 PHE 463 HE1 PHE 463 22.664 -11.720 1.342
136 HZ PHE 463 HZ PHE 463 22.087 -13.756 2.635
137 H SER 464 HN SER 464 20.897 -8.362 3.081
138 HA SER 464 HA SER 464 22.117 -10.305 4.685
139 HB2 SER 464 HB2 SER 464 23.149 -8.604 2.999
140 HB3 SER 464 HB1 SER 464 23.272 -7.546 4.402
141 HG SER 464 HG SER 464 24.439 -9.212 5.444
142 H LEU 465 HN LEU 465 20.467 -7.380 5.531
143 HA LEU 465 HA LEU 465 21.598 -7.254 8.207
144 HB2 LEU 465 HB2 LEU 465 19.909 -5.558 6.512
145 HB3 LEU 465 HB1 LEU 465 19.403 -5.592 8.203
146 HG LEU 465 HG LEU 465 21.663 -4.995 8.925
147 HD11 LEU 465 HD11 LEU 465 23.004 -4.201 6.632
148 HD12 LEU 465 HD12 LEU 465 22.264 -5.727 6.151
149 HD13 LEU 465 HD13 LEU 465 23.333 -5.670 7.552
150 HD21 LEU 465 HD21 LEU 465 21.801 -2.728 7.847
151 HD22 LEU 465 HD22 LEU 465 20.183 -3.134 8.419
152 HD23 LEU 465 HD23 LEU 465 20.565 -3.246 6.702
153 H GLY 466 HN GLY 466 18.489 -8.074 6.696
154 HA2 GLY 466 HA2 GLY 466 17.263 -8.793 9.210
155 HA3 GLY 466 HA1 GLY 466 16.572 -9.018 7.606
156 H TYR 467 HN TYR 467 19.613 -10.251 7.451
157 HA TYR 467 HA TYR 467 18.623 -12.987 7.663
158 HB2 TYR 467 HB2 TYR 467 19.895 -12.876 5.755
159 HB3 TYR 467 HB1 TYR 467 20.973 -11.647 6.416
160 HD1 TYR 467 HD1 TYR 467 20.017 -15.242 6.838
161 HD2 TYR 467 HD2 TYR 467 23.080 -12.260 7.252
162 HE1 TYR 467 HE1 TYR 467 21.648 -17.005 7.453
163 HE2 TYR 467 HE2 TYR 467 24.712 -14.022 7.868
164 HH TYR 467 HH TYR 467 23.923 -17.425 7.619
165 H LEU 468 HN LEU 468 20.997 -10.861 9.184
166 HA LEU 468 HA LEU 468 22.244 -12.816 10.804
167 HB2 LEU 468 HB2 LEU 468 21.923 -9.848 11.305
168 HB3 LEU 468 HB1 LEU 468 23.077 -10.912 12.108
169 HG LEU 468 HG LEU 468 23.069 -10.848 9.117
170 HD11 LEU 468 HD11 LEU 468 23.034 -8.492 9.591
171 HD12 LEU 468 HD12 LEU 468 24.708 -8.928 9.254
172 HD13 LEU 468 HD13 LEU 468 24.179 -8.685 10.920
173 HD21 LEU 468 HD21 LEU 468 25.477 -10.771 10.896
174 HD22 LEU 468 HD22 LEU 468 25.243 -11.615 9.364
175 HD23 LEU 468 HD23 LEU 468 24.523 -12.254 10.841
176 H LEU 469 HN LEU 469 20.279 -10.166 12.113
177 HA LEU 469 HA LEU 469 19.642 -11.290 14.530
178 HB2 LEU 469 HB2 LEU 469 17.751 -9.778 14.628
179 HB3 LEU 469 HB1 LEU 469 19.089 -8.959 13.819
180 HG LEU 469 HG LEU 469 17.798 -10.217 11.725
181 HD11 LEU 469 HD11 LEU 469 15.958 -10.718 13.441
182 HD12 LEU 469 HD12 LEU 469 15.448 -9.900 11.965
183 HD13 LEU 469 HD13 LEU 469 15.649 -8.983 13.458
184 HD21 LEU 469 HD21 LEU 469 17.581 -7.426 12.877
185 HD22 LEU 469 HD22 LEU 469 16.858 -7.865 11.327
186 HD23 LEU 469 HD23 LEU 469 18.603 -7.975 11.549
187 H ASP 470 HN ASP 470 18.595 -12.313 11.448
188 HA ASP 470 HA ASP 470 16.163 -13.604 12.336
189 HB2 ASP 470 HB2 ASP 470 16.005 -13.061 10.094
190 HB3 ASP 470 HB1 ASP 470 17.696 -13.444 9.773
191 H LYS 471 HN LYS 471 19.500 -14.537 11.650
192 HA LYS 471 HA LYS 471 18.898 -17.297 12.491
193 HB2 LYS 471 HB2 LYS 471 21.305 -16.129 11.076
194 HB3 LYS 471 HB1 LYS 471 21.139 -17.821 11.547
195 HG2 LYS 471 HG2 LYS 471 18.758 -17.057 10.163
196 HG3 LYS 471 HG1 LYS 471 20.139 -16.545 9.194
197 HD2 LYS 471 HD2 LYS 471 21.083 -18.792 9.273
198 HD3 LYS 471 HD1 LYS 471 19.790 -19.326 10.350
199 HE2 LYS 471 HE2 LYS 471 18.224 -19.394 8.667
200 HE3 LYS 471 HE1 LYS 471 18.974 -18.070 7.775
201 HZ1 LYS 471 HZ1 LYS 471 20.660 -20.376 7.966
202 HZ2 LYS 471 HZ2 LYS 471 20.204 -19.479 6.598
203 HZ3 LYS 471 HZ3 LYS 471 19.195 -20.714 7.182
204 H LYS 472 HN LYS 472 21.530 -14.912 12.892
205 HA LYS 472 HA LYS 472 22.303 -16.148 15.412
206 HB2 LYS 472 HB2 LYS 472 23.420 -13.765 13.916
207 HB3 LYS 472 HB1 LYS 472 24.113 -14.449 15.386
208 HG2 LYS 472 HG2 LYS 472 23.572 -16.329 13.135
209 HG3 LYS 472 HG1 LYS 472 24.928 -15.216 12.949
210 HD2 LYS 472 HD2 LYS 472 25.966 -16.013 14.966
211 HD3 LYS 472 HD1 LYS 472 24.532 -16.942 15.404
212 HE2 LYS 472 HE2 LYS 472 25.491 -17.638 12.742
213 HE3 LYS 472 HE1 LYS 472 26.731 -17.891 13.969
214 HZ1 LYS 472 HZ1 LYS 472 24.566 -19.516 13.422
215 HZ2 LYS 472 HZ2 LYS 472 24.214 -18.776 14.911
216 HZ3 LYS 472 HZ3 LYS 472 25.654 -19.658 14.716
217 HN1 NH2 473 H1 NH2 473 20.059 -15.504 16.363
218 HN2 NH2 473 H2 NH2 473 19.955 -13.964 17.070
Start of MODEL 24
1 H1 ACE 446 HA2 ACE 446 19.990 1.271 -21.212
2 H2 ACE 446 HA3 ACE 446 18.618 1.478 -22.299
3 H3 ACE 446 HA1 ACE 446 18.963 -0.107 -21.608
4 H LYS 447 HN LYS 447 17.979 -0.656 -19.742
5 HA LYS 447 HA LYS 447 17.009 1.418 -17.921
6 HB2 LYS 447 HB2 LYS 447 15.217 0.841 -19.692
7 HB3 LYS 447 HB1 LYS 447 15.086 -0.704 -18.850
8 HG2 LYS 447 HG2 LYS 447 14.876 0.761 -16.700
9 HG3 LYS 447 HG1 LYS 447 14.479 2.061 -17.825
10 HD2 LYS 447 HD2 LYS 447 12.355 1.248 -17.562
11 HD3 LYS 447 HD1 LYS 447 12.879 0.110 -18.803
12 HE2 LYS 447 HE2 LYS 447 12.025 -1.309 -17.139
13 HE3 LYS 447 HE1 LYS 447 13.755 -1.305 -16.793
14 HZ1 LYS 447 HZ1 LYS 447 11.742 -0.626 -15.062
15 HZ2 LYS 447 HZ2 LYS 447 12.424 0.864 -15.516
16 HZ3 LYS 447 HZ3 LYS 447 13.401 -0.350 -14.839
17 H ASP 448 HN ASP 448 17.447 -2.001 -18.677
18 HA ASP 448 HA ASP 448 17.004 -2.922 -15.999
19 HB2 ASP 448 HB2 ASP 448 16.841 -4.271 -18.184
20 HB3 ASP 448 HB1 ASP 448 18.598 -4.381 -18.097
21 H GLN 449 HN GLN 449 19.628 -1.440 -17.628
22 HA GLN 449 HA GLN 449 21.718 -2.543 -15.973
23 HB2 GLN 449 HB2 GLN 449 21.671 -0.176 -17.858
24 HB3 GLN 449 HB1 GLN 449 23.118 -0.776 -17.045
25 HG2 GLN 449 HG2 GLN 449 22.929 -2.919 -18.148
26 HG3 GLN 449 HG1 GLN 449 21.362 -2.484 -18.826
27 HE21 GLN 449 HE21 GLN 449 24.436 -0.604 -18.669
28 HE22 GLN 449 HE22 GLN 449 24.538 -0.360 -20.344
29 H PHE 450 HN PHE 450 19.420 -0.014 -15.703
30 HA PHE 450 HA PHE 450 20.956 1.451 -13.696
31 HB2 PHE 450 HB2 PHE 450 18.137 1.906 -14.701
32 HB3 PHE 450 HB1 PHE 450 19.073 3.004 -13.688
33 HD1 PHE 450 HD1 PHE 450 19.158 1.243 -16.989
34 HD2 PHE 450 HD2 PHE 450 20.493 4.601 -14.666
35 HE1 PHE 450 HE1 PHE 450 20.191 2.234 -19.014
36 HE2 PHE 450 HE2 PHE 450 21.525 5.592 -16.692
37 HZ PHE 450 HZ PHE 450 21.375 4.408 -18.866
38 H ILE 451 HN ILE 451 18.309 -0.824 -13.937
39 HA ILE 451 HA ILE 451 17.277 -0.510 -11.314
40 HB ILE 451 HB ILE 451 17.154 -2.704 -13.367
41 HG12 ILE 451 HG12 ILE 451 14.831 -1.322 -12.068
42 HG13 ILE 451 HG11 ILE 451 15.785 -0.434 -13.256
43 HG21 ILE 451 HG21 ILE 451 16.325 -2.766 -10.475
44 HG22 ILE 451 HG22 ILE 451 17.099 -4.028 -11.434
45 HG23 ILE 451 HG23 ILE 451 15.393 -3.655 -11.680
46 HD11 ILE 451 HD11 ILE 451 15.177 -1.830 -14.998
47 HD12 ILE 451 HD12 ILE 451 13.720 -1.931 -14.009
48 HD13 ILE 451 HD13 ILE 451 14.925 -3.217 -13.937
49 H ILE 452 HN ILE 452 19.358 -3.091 -12.648
50 HA ILE 452 HA ILE 452 19.952 -4.382 -10.261
51 HB ILE 452 HB ILE 452 21.973 -5.216 -11.407
52 HG12 ILE 452 HG12 ILE 452 21.250 -3.015 -13.359
53 HG13 ILE 452 HG11 ILE 452 22.783 -3.255 -12.519
54 HG21 ILE 452 HG21 ILE 452 19.561 -5.970 -11.947
55 HG22 ILE 452 HG22 ILE 452 20.819 -6.390 -13.108
56 HG23 ILE 452 HG23 ILE 452 19.740 -5.033 -13.431
57 HD11 ILE 452 HD11 ILE 452 21.652 -4.755 -14.858
58 HD12 ILE 452 HD12 ILE 452 22.752 -5.585 -13.756
59 HD13 ILE 452 HD13 ILE 452 23.285 -4.137 -14.614
60 H ALA 453 HN ALA 453 20.814 -1.250 -11.223
61 HA ALA 453 HA ALA 453 23.220 -1.132 -9.569
62 HB1 ALA 453 HB1 ALA 453 23.718 0.814 -10.657
63 HB2 ALA 453 HB2 ALA 453 22.035 1.338 -10.714
64 HB3 ALA 453 HB3 ALA 453 22.623 0.136 -11.862
65 H TYR 454 HN TYR 454 19.838 -0.377 -9.405
66 HA TYR 454 HA TYR 454 20.189 0.491 -6.627
67 HB2 TYR 454 HB2 TYR 454 18.517 2.077 -8.584
68 HB3 TYR 454 HB1 TYR 454 18.831 2.462 -6.892
69 HD1 TYR 454 HD1 TYR 454 21.376 2.640 -6.220
70 HD2 TYR 454 HD2 TYR 454 19.886 3.024 -10.233
71 HE1 TYR 454 HE1 TYR 454 23.440 3.849 -6.872
72 HE2 TYR 454 HE2 TYR 454 21.950 4.233 -10.882
73 HH TYR 454 HH TYR 454 24.037 4.783 -10.239
74 H GLY 455 HN GLY 455 17.684 0.137 -9.152
75 HA2 GLY 455 HA2 GLY 455 15.590 -0.580 -7.422
76 HA3 GLY 455 HA1 GLY 455 15.657 -0.952 -9.142
77 H GLY 456 HN GLY 456 18.379 -2.305 -8.248
78 HA2 GLY 456 HA2 GLY 456 17.155 -4.834 -7.307
79 HA3 GLY 456 HA1 GLY 456 18.341 -4.799 -8.608
80 H LEU 457 HN LEU 457 19.483 -2.436 -6.817
81 HA LEU 457 HA LEU 457 21.607 -3.944 -5.708
82 HB2 LEU 457 HB2 LEU 457 21.505 -1.437 -6.419
83 HB3 LEU 457 HB1 LEU 457 20.901 -1.154 -4.802
84 HG LEU 457 HG LEU 457 23.240 -0.834 -4.656
85 HD11 LEU 457 HD11 LEU 457 22.254 -2.326 -2.882
86 HD12 LEU 457 HD12 LEU 457 23.989 -2.496 -3.114
87 HD13 LEU 457 HD13 LEU 457 22.895 -3.704 -3.777
88 HD21 LEU 457 HD21 LEU 457 24.604 -1.716 -6.211
89 HD22 LEU 457 HD22 LEU 457 23.326 -2.795 -6.763
90 HD23 LEU 457 HD23 LEU 457 24.403 -3.299 -5.463
91 H ARG 458 HN ARG 458 19.718 -1.720 -3.712
92 HA ARG 458 HA ARG 458 19.276 -1.885 -1.451
93 HB2 ARG 458 HB2 ARG 458 17.705 -4.008 -2.875
94 HB3 ARG 458 HB1 ARG 458 17.554 -3.822 -1.129
95 HG2 ARG 458 HG2 ARG 458 15.849 -2.483 -2.321
96 HG3 ARG 458 HG1 ARG 458 16.960 -1.451 -1.421
97 HD2 ARG 458 HD2 ARG 458 17.620 -2.111 -4.264
98 HD3 ARG 458 HD1 ARG 458 16.360 -0.922 -3.952
99 HE ARG 458 HE ARG 458 19.166 -0.518 -3.634
100 HH11 ARG 458 HH21 ARG 458 16.070 0.192 -2.263
101 HH12 ARG 458 HH22 ARG 458 16.575 1.687 -1.549
102 HH21 ARG 458 HH11 ARG 458 19.837 1.441 -2.699
103 HH22 ARG 458 HH12 ARG 458 18.707 2.393 -1.796
104 H GLY 459 HN GLY 459 21.658 -2.577 -1.205
105 HA2 GLY 459 HA2 GLY 459 21.868 -5.352 -0.227
106 HA3 GLY 459 HA1 GLY 459 23.225 -4.309 -0.647
107 H ALA 460 HN ALA 460 21.665 -2.087 0.802
108 HA ALA 460 HA ALA 460 22.293 -2.907 3.574
109 HB1 ALA 460 HB1 ALA 460 22.962 -0.405 3.816
110 HB2 ALA 460 HB2 ALA 460 23.132 -0.448 2.061
111 HB3 ALA 460 HB3 ALA 460 24.108 -1.518 3.069
112 H ILE 461 HN ILE 461 20.018 -1.763 1.417
113 HA ILE 461 HA ILE 461 18.556 -0.124 3.342
114 HB ILE 461 HB ILE 461 18.236 -0.789 0.433
115 HG12 ILE 461 HG12 ILE 461 18.183 1.667 0.264
116 HG13 ILE 461 HG11 ILE 461 18.230 1.798 2.023
117 HG21 ILE 461 HG21 ILE 461 16.119 0.153 2.363
118 HG22 ILE 461 HG22 ILE 461 15.991 -1.063 1.092
119 HG23 ILE 461 HG23 ILE 461 16.077 0.647 0.671
120 HD11 ILE 461 HD11 ILE 461 20.444 1.083 2.154
121 HD12 ILE 461 HD12 ILE 461 20.464 1.985 0.639
122 HD13 ILE 461 HD13 ILE 461 20.363 0.225 0.615
123 H ALA 462 HN ALA 462 18.382 -3.284 1.800
124 HA ALA 462 HA ALA 462 15.776 -3.946 2.774
125 HB1 ALA 462 HB1 ALA 462 17.725 -6.114 2.212
126 HB2 ALA 462 HB2 ALA 462 17.352 -5.022 0.879
127 HB3 ALA 462 HB3 ALA 462 16.059 -5.925 1.667
128 H PHE 463 HN PHE 463 19.016 -4.164 4.045
129 HA PHE 463 HA PHE 463 18.366 -5.991 6.173
130 HB2 PHE 463 HB2 PHE 463 20.602 -6.140 6.146
131 HB3 PHE 463 HB1 PHE 463 20.730 -4.707 5.127
132 HD1 PHE 463 HD2 PHE 463 20.352 -5.845 8.654
133 HD2 PHE 463 HD1 PHE 463 21.376 -2.605 6.028
134 HE1 PHE 463 HE2 PHE 463 21.179 -4.537 10.592
135 HE2 PHE 463 HE1 PHE 463 22.204 -1.296 7.965
136 HZ PHE 463 HZ PHE 463 22.105 -2.263 10.248
137 H SER 464 HN SER 464 19.186 -2.514 6.096
138 HA SER 464 HA SER 464 18.674 -1.941 8.774
139 HB2 SER 464 HB2 SER 464 18.833 -0.388 6.266
140 HB3 SER 464 HB1 SER 464 17.918 0.371 7.566
141 HG SER 464 HG SER 464 19.708 0.645 8.638
142 H LEU 465 HN LEU 465 16.511 -3.025 6.452
143 HA LEU 465 HA LEU 465 14.178 -1.656 7.544
144 HB2 LEU 465 HB2 LEU 465 14.820 -3.058 5.105
145 HB3 LEU 465 HB1 LEU 465 13.354 -3.725 5.824
146 HG LEU 465 HG LEU 465 12.414 -1.443 6.009
147 HD11 LEU 465 HD11 LEU 465 14.081 0.004 4.248
148 HD12 LEU 465 HD12 LEU 465 15.159 -0.744 5.426
149 HD13 LEU 465 HD13 LEU 465 13.844 0.297 5.972
150 HD21 LEU 465 HD21 LEU 465 11.734 -2.524 4.029
151 HD22 LEU 465 HD22 LEU 465 13.355 -2.472 3.335
152 HD23 LEU 465 HD23 LEU 465 12.391 -0.997 3.438
153 H GLY 466 HN GLY 466 14.997 -5.085 6.968
154 HA2 GLY 466 HA2 GLY 466 13.073 -6.045 8.846
155 HA3 GLY 466 HA1 GLY 466 14.341 -6.997 8.079
156 H TYR 467 HN TYR 467 15.830 -4.379 9.415
157 HA TYR 467 HA TYR 467 16.773 -5.962 11.682
158 HB2 TYR 467 HB2 TYR 467 18.628 -5.022 10.710
159 HB3 TYR 467 HB1 TYR 467 17.754 -3.588 10.175
160 HD1 TYR 467 HD2 TYR 467 19.047 -5.300 13.234
161 HD2 TYR 467 HD1 TYR 467 17.822 -1.596 11.437
162 HE1 TYR 467 HE2 TYR 467 19.845 -4.065 15.232
163 HE2 TYR 467 HE1 TYR 467 18.619 -0.362 13.433
164 HH TYR 467 HH TYR 467 19.434 -1.923 16.353
165 H LEU 468 HN LEU 468 15.001 -2.992 11.012
166 HA LEU 468 HA LEU 468 15.003 -1.968 13.653
167 HB2 LEU 468 HB2 LEU 468 12.982 -1.547 11.439
168 HB3 LEU 468 HB1 LEU 468 13.153 -0.551 12.884
169 HG LEU 468 HG LEU 468 15.578 -0.988 11.188
170 HD11 LEU 468 HD11 LEU 468 14.916 0.959 9.783
171 HD12 LEU 468 HD12 LEU 468 13.312 0.909 10.515
172 HD13 LEU 468 HD13 LEU 468 13.876 -0.442 9.530
173 HD21 LEU 468 HD21 LEU 468 16.295 0.981 12.184
174 HD22 LEU 468 HD22 LEU 468 15.239 0.360 13.451
175 HD23 LEU 468 HD23 LEU 468 14.657 1.613 12.355
176 H LEU 469 HN LEU 469 12.070 -3.069 11.986
177 HA LEU 469 HA LEU 469 10.503 -3.552 14.172
178 HB2 LEU 469 HB2 LEU 469 9.389 -5.349 12.724
179 HB3 LEU 469 HB1 LEU 469 9.479 -3.722 12.047
180 HG LEU 469 HG LEU 469 11.862 -5.310 11.448
181 HD11 LEU 469 HD11 LEU 469 9.171 -6.243 10.401
182 HD12 LEU 469 HD12 LEU 469 10.236 -7.159 11.467
183 HD13 LEU 469 HD13 LEU 469 10.739 -6.796 9.816
184 HD21 LEU 469 HD21 LEU 469 11.368 -4.470 9.180
185 HD22 LEU 469 HD22 LEU 469 11.252 -3.170 10.364
186 HD23 LEU 469 HD23 LEU 469 9.785 -3.913 9.727
187 H ASP 470 HN ASP 470 13.310 -5.263 13.267
188 HA ASP 470 HA ASP 470 12.602 -7.695 14.708
189 HB2 ASP 470 HB2 ASP 470 13.950 -7.963 12.724
190 HB3 ASP 470 HB1 ASP 470 15.142 -6.812 13.325
191 H LYS 471 HN LYS 471 14.785 -4.925 15.066
192 HA LYS 471 HA LYS 471 15.411 -5.807 17.811
193 HB2 LYS 471 HB2 LYS 471 16.769 -3.794 16.003
194 HB3 LYS 471 HB1 LYS 471 17.245 -4.122 17.670
195 HG2 LYS 471 HG2 LYS 471 16.987 -6.618 16.273
196 HG3 LYS 471 HG1 LYS 471 18.022 -5.541 15.333
197 HD2 LYS 471 HD2 LYS 471 19.440 -5.141 17.280
198 HD3 LYS 471 HD1 LYS 471 18.371 -6.116 18.290
199 HE2 LYS 471 HE2 LYS 471 19.032 -8.117 17.293
200 HE3 LYS 471 HE1 LYS 471 19.551 -7.322 15.807
201 HZ1 LYS 471 HZ1 LYS 471 21.340 -8.134 17.408
202 HZ2 LYS 471 HZ2 LYS 471 20.909 -6.808 18.380
203 HZ3 LYS 471 HZ3 LYS 471 21.490 -6.557 16.803
204 H LYS 472 HN LYS 472 14.816 -2.753 16.057
205 HA LYS 472 HA LYS 472 14.006 -0.731 16.848
206 HB2 LYS 472 HB2 LYS 472 12.033 -2.810 16.900
207 HB3 LYS 472 HB1 LYS 472 11.710 -1.679 18.214
208 HG2 LYS 472 HG2 LYS 472 12.221 -0.840 15.346
209 HG3 LYS 472 HG1 LYS 472 10.615 -1.034 16.049
210 HD2 LYS 472 HD2 LYS 472 10.733 0.976 17.057
211 HD3 LYS 472 HD1 LYS 472 12.299 0.587 17.768
212 HE2 LYS 472 HE2 LYS 472 13.463 1.285 15.777
213 HE3 LYS 472 HE1 LYS 472 11.950 1.446 14.885
214 HZ1 LYS 472 HZ1 LYS 472 12.826 3.582 15.689
215 HZ2 LYS 472 HZ2 LYS 472 12.668 3.033 17.289
216 HZ3 LYS 472 HZ3 LYS 472 11.290 3.235 16.317
217 HN1 NH2 473 H1 NH2 473 15.460 0.008 18.487
218 HN2 NH2 473 H2 NH2 473 15.185 -0.265 20.140
Start of MODEL 25
1 H1 ACE 446 HA2 ACE 446 19.241 1.147 -20.759
2 H2 ACE 446 HA3 ACE 446 18.179 2.366 -21.464
3 H3 ACE 446 HA1 ACE 446 17.733 0.662 -21.534
4 H LYS 447 HN LYS 447 17.420 -0.431 -19.399
5 HA LYS 447 HA LYS 447 16.665 1.366 -17.208
6 HB2 LYS 447 HB2 LYS 447 14.796 -0.336 -18.801
7 HB3 LYS 447 HB1 LYS 447 14.521 -0.182 -17.065
8 HG2 LYS 447 HG2 LYS 447 14.373 2.215 -17.222
9 HG3 LYS 447 HG1 LYS 447 14.910 2.193 -18.902
10 HD2 LYS 447 HD2 LYS 447 12.452 2.476 -18.735
11 HD3 LYS 447 HD1 LYS 447 12.881 0.975 -19.556
12 HE2 LYS 447 HE2 LYS 447 12.264 -0.353 -17.738
13 HE3 LYS 447 HE1 LYS 447 12.462 0.964 -16.581
14 HZ1 LYS 447 HZ1 LYS 447 10.535 1.796 -18.375
15 HZ2 LYS 447 HZ2 LYS 447 10.299 1.324 -16.760
16 HZ3 LYS 447 HZ3 LYS 447 10.147 0.186 -18.011
17 H ASP 448 HN ASP 448 17.165 -1.911 -18.413
18 HA ASP 448 HA ASP 448 17.133 -3.153 -15.830
19 HB2 ASP 448 HB2 ASP 448 18.407 -4.177 -18.375
20 HB3 ASP 448 HB1 ASP 448 17.907 -5.129 -16.978
21 H GLN 449 HN GLN 449 19.372 -1.193 -17.438
22 HA GLN 449 HA GLN 449 21.722 -2.369 -16.170
23 HB2 GLN 449 HB2 GLN 449 21.339 0.022 -17.979
24 HB3 GLN 449 HB1 GLN 449 22.895 -0.430 -17.284
25 HG2 GLN 449 HG2 GLN 449 21.529 -2.706 -18.503
26 HG3 GLN 449 HG1 GLN 449 21.823 -1.408 -19.660
27 HE21 GLN 449 HE21 GLN 449 23.213 -4.184 -18.834
28 HE22 GLN 449 HE22 GLN 449 24.859 -3.768 -18.901
29 H PHE 450 HN PHE 450 19.396 0.105 -15.596
30 HA PHE 450 HA PHE 450 21.078 1.491 -13.648
31 HB2 PHE 450 HB2 PHE 450 18.189 1.986 -14.402
32 HB3 PHE 450 HB1 PHE 450 19.222 3.049 -13.444
33 HD1 PHE 450 HD1 PHE 450 18.978 1.401 -16.794
34 HD2 PHE 450 HD2 PHE 450 20.579 4.658 -14.497
35 HE1 PHE 450 HE1 PHE 450 19.831 2.449 -18.873
36 HE2 PHE 450 HE2 PHE 450 21.433 5.706 -16.576
37 HZ PHE 450 HZ PHE 450 21.059 4.600 -18.765
38 H ILE 451 HN ILE 451 18.312 -0.679 -13.786
39 HA ILE 451 HA ILE 451 17.547 -0.508 -11.068
40 HB ILE 451 HB ILE 451 17.166 -2.567 -13.224
41 HG12 ILE 451 HG12 ILE 451 15.026 -1.224 -11.606
42 HG13 ILE 451 HG11 ILE 451 15.874 -0.284 -12.836
43 HG21 ILE 451 HG21 ILE 451 17.277 -4.010 -11.376
44 HG22 ILE 451 HG22 ILE 451 15.562 -3.600 -11.436
45 HG23 ILE 451 HG23 ILE 451 16.621 -2.802 -10.273
46 HD11 ILE 451 HD11 ILE 451 15.088 -1.610 -14.583
47 HD12 ILE 451 HD12 ILE 451 13.708 -1.641 -13.485
48 HD13 ILE 451 HD13 ILE 451 14.822 -3.006 -13.540
49 H ILE 452 HN ILE 452 19.643 -2.841 -12.766
50 HA ILE 452 HA ILE 452 20.321 -4.533 -10.722
51 HB ILE 452 HB ILE 452 22.619 -4.633 -11.840
52 HG12 ILE 452 HG12 ILE 452 21.264 -2.747 -13.791
53 HG13 ILE 452 HG11 ILE 452 22.495 -2.237 -12.635
54 HG21 ILE 452 HG21 ILE 452 21.654 -5.616 -13.922
55 HG22 ILE 452 HG22 ILE 452 20.096 -4.903 -13.503
56 HG23 ILE 452 HG23 ILE 452 20.805 -6.144 -12.469
57 HD11 ILE 452 HD11 ILE 452 22.824 -4.280 -14.851
58 HD12 ILE 452 HD12 ILE 452 24.041 -3.954 -13.615
59 HD13 ILE 452 HD13 ILE 452 23.583 -2.689 -14.757
60 H ALA 453 HN ALA 453 21.375 -1.230 -11.228
61 HA ALA 453 HA ALA 453 23.317 -1.338 -9.065
62 HB1 ALA 453 HB1 ALA 453 23.164 1.275 -9.585
63 HB2 ALA 453 HB2 ALA 453 22.453 0.679 -11.084
64 HB3 ALA 453 HB3 ALA 453 24.078 0.176 -10.618
65 H TYR 454 HN TYR 454 20.076 -0.083 -9.669
66 HA TYR 454 HA TYR 454 19.707 0.218 -6.769
67 HB2 TYR 454 HB2 TYR 454 18.744 2.322 -8.703
68 HB3 TYR 454 HB1 TYR 454 18.788 2.401 -6.943
69 HD1 TYR 454 HD2 TYR 454 21.259 1.817 -5.958
70 HD2 TYR 454 HD1 TYR 454 20.414 3.517 -9.811
71 HE1 TYR 454 HE2 TYR 454 23.551 2.761 -6.045
72 HE2 TYR 454 HE1 TYR 454 22.705 4.459 -9.899
73 HH TYR 454 HH TYR 454 24.695 4.545 -8.909
74 H GLY 455 HN GLY 455 18.394 -1.606 -6.765
75 HA2 GLY 455 HA2 GLY 455 15.823 -1.698 -6.681
76 HA3 GLY 455 HA1 GLY 455 15.958 -1.512 -8.427
77 H GLY 456 HN GLY 456 18.572 -3.135 -8.139
78 HA2 GLY 456 HA2 GLY 456 17.292 -5.805 -8.012
79 HA3 GLY 456 HA1 GLY 456 18.524 -5.382 -9.194
80 H LEU 457 HN LEU 457 19.098 -3.939 -6.194
81 HA LEU 457 HA LEU 457 21.137 -5.982 -5.563
82 HB2 LEU 457 HB2 LEU 457 22.552 -4.295 -4.813
83 HB3 LEU 457 HB1 LEU 457 21.715 -3.493 -6.133
84 HG LEU 457 HG LEU 457 19.987 -2.794 -4.282
85 HD11 LEU 457 HD11 LEU 457 21.892 -4.157 -2.668
86 HD12 LEU 457 HD12 LEU 457 20.535 -3.175 -2.127
87 HD13 LEU 457 HD13 LEU 457 22.116 -2.438 -2.360
88 HD21 LEU 457 HD21 LEU 457 21.782 -0.901 -3.671
89 HD22 LEU 457 HD22 LEU 457 21.026 -0.997 -5.260
90 HD23 LEU 457 HD23 LEU 457 22.643 -1.657 -5.011
91 H ARG 458 HN ARG 458 18.430 -4.168 -4.316
92 HA ARG 458 HA ARG 458 18.841 -4.811 -1.569
93 HB2 ARG 458 HB2 ARG 458 16.612 -3.966 -1.200
94 HB3 ARG 458 HB1 ARG 458 17.434 -2.906 -2.336
95 HG2 ARG 458 HG2 ARG 458 15.514 -5.118 -3.151
96 HG3 ARG 458 HG1 ARG 458 15.071 -3.428 -2.986
97 HD2 ARG 458 HD2 ARG 458 15.530 -3.538 -5.253
98 HD3 ARG 458 HD1 ARG 458 17.092 -3.029 -4.627
99 HE ARG 458 HE ARG 458 17.949 -5.064 -5.331
100 HH11 ARG 458 HH21 ARG 458 14.506 -5.229 -5.027
101 HH12 ARG 458 HH22 ARG 458 14.387 -6.830 -5.676
102 HH21 ARG 458 HH11 ARG 458 17.802 -7.166 -6.179
103 HH22 ARG 458 HH12 ARG 458 16.253 -7.927 -6.328
104 H GLY 459 HN GLY 459 18.055 -6.698 -4.180
105 HA2 GLY 459 HA2 GLY 459 16.774 -8.728 -2.448
106 HA3 GLY 459 HA1 GLY 459 16.298 -8.482 -4.125
107 H ALA 460 HN ALA 460 19.628 -8.063 -3.509
108 HA ALA 460 HA ALA 460 20.193 -10.642 -4.818
109 HB1 ALA 460 HB1 ALA 460 21.099 -8.817 -6.061
110 HB2 ALA 460 HB2 ALA 460 22.458 -9.575 -5.231
111 HB3 ALA 460 HB3 ALA 460 21.771 -8.075 -4.609
112 H ILE 461 HN ILE 461 20.773 -8.773 -1.935
113 HA ILE 461 HA ILE 461 22.777 -10.655 -0.954
114 HB ILE 461 HB ILE 461 21.582 -8.119 0.168
115 HG12 ILE 461 HG12 ILE 461 23.933 -7.353 -0.024
116 HG13 ILE 461 HG11 ILE 461 24.385 -8.928 -0.679
117 HG21 ILE 461 HG21 ILE 461 21.940 -9.207 2.164
118 HG22 ILE 461 HG22 ILE 461 23.584 -8.639 1.870
119 HG23 ILE 461 HG23 ILE 461 23.139 -10.300 1.476
120 HD11 ILE 461 HD11 ILE 461 23.278 -8.560 -2.693
121 HD12 ILE 461 HD12 ILE 461 23.832 -6.930 -2.312
122 HD13 ILE 461 HD13 ILE 461 22.162 -7.392 -1.984
123 H ALA 462 HN ALA 462 19.546 -9.488 0.002
124 HA ALA 462 HA ALA 462 19.068 -11.042 2.214
125 HB1 ALA 462 HB1 ALA 462 17.549 -9.356 0.773
126 HB2 ALA 462 HB2 ALA 462 16.871 -10.464 1.965
127 HB3 ALA 462 HB3 ALA 462 16.845 -10.887 0.252
128 H PHE 463 HN PHE 463 19.207 -12.024 -1.132
129 HA PHE 463 HA PHE 463 18.160 -14.688 -0.535
130 HB2 PHE 463 HB2 PHE 463 17.435 -14.368 -2.645
131 HB3 PHE 463 HB1 PHE 463 18.585 -13.062 -2.932
132 HD1 PHE 463 HD1 PHE 463 18.044 -16.705 -3.074
133 HD2 PHE 463 HD2 PHE 463 20.808 -13.505 -3.826
134 HE1 PHE 463 HE1 PHE 463 19.467 -18.246 -4.398
135 HE2 PHE 463 HE2 PHE 463 22.230 -15.044 -5.151
136 HZ PHE 463 HZ PHE 463 21.559 -17.415 -5.437
137 H SER 464 HN SER 464 21.190 -13.052 -1.188
138 HA SER 464 HA SER 464 22.792 -15.312 -1.721
139 HB2 SER 464 HB2 SER 464 23.456 -12.924 -2.107
140 HB3 SER 464 HB1 SER 464 23.659 -12.751 -0.366
141 HG SER 464 HG SER 464 24.956 -14.895 -0.910
142 H LEU 465 HN LEU 465 21.850 -13.730 1.299
143 HA LEU 465 HA LEU 465 23.466 -15.584 2.870
144 HB2 LEU 465 HB2 LEU 465 22.798 -14.275 4.782
145 HB3 LEU 465 HB1 LEU 465 23.247 -13.164 3.489
146 HG LEU 465 HG LEU 465 20.557 -13.578 3.011
147 HD11 LEU 465 HD11 LEU 465 20.336 -14.779 5.165
148 HD12 LEU 465 HD12 LEU 465 19.448 -13.255 5.192
149 HD13 LEU 465 HD13 LEU 465 21.005 -13.383 6.009
150 HD21 LEU 465 HD21 LEU 465 20.345 -11.293 4.164
151 HD22 LEU 465 HD22 LEU 465 21.537 -11.407 2.871
152 HD23 LEU 465 HD23 LEU 465 22.057 -11.450 4.554
153 H GLY 466 HN GLY 466 20.210 -15.211 1.768
154 HA2 GLY 466 HA2 GLY 466 19.132 -17.086 3.733
155 HA3 GLY 466 HA1 GLY 466 18.222 -16.245 2.482
156 H TYR 467 HN TYR 467 20.929 -17.405 1.019
157 HA TYR 467 HA TYR 467 19.456 -19.650 -0.141
158 HB2 TYR 467 HB2 TYR 467 20.397 -18.417 -1.864
159 HB3 TYR 467 HB1 TYR 467 21.847 -18.033 -0.937
160 HD1 TYR 467 HD1 TYR 467 20.059 -20.776 -2.706
161 HD2 TYR 467 HD2 TYR 467 23.769 -19.437 -1.007
162 HE1 TYR 467 HE1 TYR 467 21.226 -22.713 -3.726
163 HE2 TYR 467 HE2 TYR 467 24.936 -21.375 -2.022
164 HH TYR 467 HH TYR 467 23.213 -24.003 -3.469
165 H LEU 468 HN LEU 468 22.436 -18.982 1.644
166 HA LEU 468 HA LEU 468 23.560 -21.560 1.505
167 HB2 LEU 468 HB2 LEU 468 23.813 -19.521 3.727
168 HB3 LEU 468 HB1 LEU 468 24.894 -20.885 3.442
169 HG LEU 468 HG LEU 468 24.409 -18.973 1.191
170 HD11 LEU 468 HD11 LEU 468 24.848 -17.471 3.053
171 HD12 LEU 468 HD12 LEU 468 26.289 -17.568 2.040
172 HD13 LEU 468 HD13 LEU 468 26.220 -18.456 3.563
173 HD21 LEU 468 HD21 LEU 468 26.741 -19.576 0.685
174 HD22 LEU 468 HD22 LEU 468 25.764 -21.029 0.896
175 HD23 LEU 468 HD23 LEU 468 26.839 -20.494 2.188
176 H LEU 469 HN LEU 469 22.348 -20.227 4.555
177 HA LEU 469 HA LEU 469 21.919 -22.553 5.907
178 HB2 LEU 469 HB2 LEU 469 20.203 -21.359 7.221
179 HB3 LEU 469 HB1 LEU 469 21.624 -20.353 6.938
180 HG LEU 469 HG LEU 469 20.057 -19.809 4.730
181 HD11 LEU 469 HD11 LEU 469 18.269 -20.028 7.171
182 HD12 LEU 469 HD12 LEU 469 18.171 -21.052 5.741
183 HD13 LEU 469 HD13 LEU 469 17.810 -19.331 5.619
184 HD21 LEU 469 HD21 LEU 469 21.265 -18.136 6.007
185 HD22 LEU 469 HD22 LEU 469 20.239 -18.410 7.416
186 HD23 LEU 469 HD23 LEU 469 19.565 -17.667 5.966
187 H ASP 470 HN ASP 470 20.168 -21.403 3.192
188 HA ASP 470 HA ASP 470 17.758 -22.899 3.635
189 HB2 ASP 470 HB2 ASP 470 18.858 -21.144 1.568
190 HB3 ASP 470 HB1 ASP 470 17.913 -22.479 0.913
191 H LYS 471 HN LYS 471 20.693 -23.385 1.694
192 HA LYS 471 HA LYS 471 19.795 -26.082 0.973
193 HB2 LYS 471 HB2 LYS 471 22.085 -24.337 0.072
194 HB3 LYS 471 HB1 LYS 471 21.983 -26.044 -0.359
195 HG2 LYS 471 HG2 LYS 471 19.546 -24.377 -0.787
196 HG3 LYS 471 HG1 LYS 471 20.897 -24.141 -1.895
197 HD2 LYS 471 HD2 LYS 471 20.915 -26.503 -2.466
198 HD3 LYS 471 HD1 LYS 471 19.684 -26.842 -1.249
199 HE2 LYS 471 HE2 LYS 471 17.986 -26.025 -2.546
200 HE3 LYS 471 HE1 LYS 471 18.991 -24.749 -3.234
201 HZ1 LYS 471 HZ1 LYS 471 18.567 -26.255 -4.968
202 HZ2 LYS 471 HZ2 LYS 471 18.902 -27.609 -3.997
203 HZ3 LYS 471 HZ3 LYS 471 20.160 -26.574 -4.480
204 H LYS 472 HN LYS 472 22.607 -24.497 2.490
205 HA LYS 472 HA LYS 472 23.970 -26.832 3.239
206 HB2 LYS 472 HB2 LYS 472 23.974 -23.993 4.178
207 HB3 LYS 472 HB1 LYS 472 24.808 -25.207 5.148
208 HG2 LYS 472 HG2 LYS 472 25.278 -25.154 2.187
209 HG3 LYS 472 HG1 LYS 472 26.089 -23.960 3.202
210 HD2 LYS 472 HD2 LYS 472 26.159 -26.811 4.090
211 HD3 LYS 472 HD1 LYS 472 27.183 -26.347 2.730
212 HE2 LYS 472 HE2 LYS 472 27.141 -24.946 5.420
213 HE3 LYS 472 HE1 LYS 472 28.361 -26.113 4.909
214 HZ1 LYS 472 HZ1 LYS 472 27.959 -24.068 2.964
215 HZ2 LYS 472 HZ2 LYS 472 29.395 -24.578 3.713
216 HZ3 LYS 472 HZ3 LYS 472 28.408 -23.416 4.462
217 HN1 NH2 473 H1 NH2 473 22.318 -24.752 5.669
218 HN2 NH2 473 H2 NH2 473 21.710 -26.051 6.575
Start of MODEL 26
1 H1 ACE 446 HA2 ACE 446 19.983 2.641 -19.465
2 H2 ACE 446 HA3 ACE 446 18.706 3.596 -20.220
3 H3 ACE 446 HA1 ACE 446 18.869 1.882 -20.603
4 H LYS 447 HN LYS 447 18.017 0.352 -19.218
5 HA LYS 447 HA LYS 447 16.695 1.319 -16.762
6 HB2 LYS 447 HB2 LYS 447 14.973 1.177 -18.479
7 HB3 LYS 447 HB1 LYS 447 15.472 -0.467 -18.877
8 HG2 LYS 447 HG2 LYS 447 14.484 -1.365 -17.018
9 HG3 LYS 447 HG1 LYS 447 14.845 0.043 -16.021
10 HD2 LYS 447 HD2 LYS 447 12.831 0.248 -18.248
11 HD3 LYS 447 HD1 LYS 447 12.360 -0.422 -16.685
12 HE2 LYS 447 HE2 LYS 447 12.553 1.591 -15.609
13 HE3 LYS 447 HE1 LYS 447 13.907 2.114 -16.611
14 HZ1 LYS 447 HZ1 LYS 447 11.602 3.217 -16.896
15 HZ2 LYS 447 HZ2 LYS 447 11.235 1.830 -17.806
16 HZ3 LYS 447 HZ3 LYS 447 12.520 2.840 -18.269
17 H ASP 448 HN ASP 448 16.881 -1.797 -18.481
18 HA ASP 448 HA ASP 448 17.097 -3.437 -16.274
19 HB2 ASP 448 HB2 ASP 448 18.675 -4.745 -18.083
20 HB3 ASP 448 HB1 ASP 448 16.913 -4.787 -18.077
21 H GLN 449 HN GLN 449 19.502 -1.364 -17.678
22 HA GLN 449 HA GLN 449 21.681 -2.615 -16.189
23 HB2 GLN 449 HB2 GLN 449 21.499 -0.402 -18.216
24 HB3 GLN 449 HB1 GLN 449 22.952 -0.606 -17.236
25 HG2 GLN 449 HG2 GLN 449 21.858 -3.064 -18.496
26 HG3 GLN 449 HG1 GLN 449 22.587 -1.884 -19.585
27 HE21 GLN 449 HE21 GLN 449 24.460 -3.276 -19.982
28 HE22 GLN 449 HE22 GLN 449 25.643 -3.514 -18.788
29 H PHE 450 HN PHE 450 19.380 -0.113 -15.814
30 HA PHE 450 HA PHE 450 20.971 1.355 -13.852
31 HB2 PHE 450 HB2 PHE 450 19.716 3.021 -14.684
32 HB3 PHE 450 HB1 PHE 450 18.614 1.888 -15.467
33 HD1 PHE 450 HD2 PHE 450 19.362 3.680 -12.312
34 HD2 PHE 450 HD1 PHE 450 16.556 1.204 -14.420
35 HE1 PHE 450 HE2 PHE 450 17.656 4.128 -10.568
36 HE2 PHE 450 HE1 PHE 450 14.850 1.651 -12.676
37 HZ PHE 450 HZ PHE 450 15.400 3.114 -10.750
38 H ILE 451 HN ILE 451 18.089 -0.700 -13.998
39 HA ILE 451 HA ILE 451 17.201 -0.510 -11.379
40 HB ILE 451 HB ILE 451 17.170 -2.740 -13.390
41 HG12 ILE 451 HG12 ILE 451 14.750 -1.620 -12.066
42 HG13 ILE 451 HG11 ILE 451 15.639 -0.528 -13.129
43 HG21 ILE 451 HG21 ILE 451 15.539 -3.814 -11.663
44 HG22 ILE 451 HG22 ILE 451 16.405 -2.839 -10.478
45 HG23 ILE 451 HG23 ILE 451 17.273 -4.039 -11.434
46 HD11 ILE 451 HD11 ILE 451 14.654 -3.293 -13.893
47 HD12 ILE 451 HD12 ILE 451 15.507 -2.170 -14.952
48 HD13 ILE 451 HD13 ILE 451 13.891 -1.775 -14.366
49 H ILE 452 HN ILE 452 19.255 -3.171 -12.589
50 HA ILE 452 HA ILE 452 19.965 -4.326 -10.215
51 HB ILE 452 HB ILE 452 21.991 -5.115 -11.308
52 HG12 ILE 452 HG12 ILE 452 21.419 -2.828 -13.210
53 HG13 ILE 452 HG11 ILE 452 22.876 -3.095 -12.253
54 HG21 ILE 452 HG21 ILE 452 19.609 -5.809 -12.075
55 HG22 ILE 452 HG22 ILE 452 20.967 -6.218 -13.123
56 HG23 ILE 452 HG23 ILE 452 19.944 -4.832 -13.505
57 HD11 ILE 452 HD11 ILE 452 23.502 -3.839 -14.397
58 HD12 ILE 452 HD12 ILE 452 21.933 -4.584 -14.695
59 HD13 ILE 452 HD13 ILE 452 23.062 -5.330 -13.565
60 H ALA 453 HN ALA 453 20.868 -1.211 -11.379
61 HA ALA 453 HA ALA 453 23.175 -0.889 -9.677
62 HB1 ALA 453 HB1 ALA 453 21.812 1.542 -10.626
63 HB2 ALA 453 HB2 ALA 453 22.267 0.413 -11.904
64 HB3 ALA 453 HB3 ALA 453 23.495 1.046 -10.807
65 H TYR 454 HN TYR 454 19.749 -0.048 -9.554
66 HA TYR 454 HA TYR 454 20.076 0.587 -6.694
67 HB2 TYR 454 HB2 TYR 454 18.424 2.184 -8.662
68 HB3 TYR 454 HB1 TYR 454 18.506 2.459 -6.921
69 HD1 TYR 454 HD2 TYR 454 21.007 2.619 -5.969
70 HD2 TYR 454 HD1 TYR 454 19.840 3.454 -10.017
71 HE1 TYR 454 HE2 TYR 454 23.047 3.997 -6.272
72 HE2 TYR 454 HE1 TYR 454 21.878 4.833 -10.321
73 HH TYR 454 HH TYR 454 24.419 4.906 -7.926
74 H GLY 455 HN GLY 455 17.496 0.340 -9.156
75 HA2 GLY 455 HA2 GLY 455 15.421 -0.500 -7.564
76 HA3 GLY 455 HA1 GLY 455 15.622 -1.010 -9.238
77 H GLY 456 HN GLY 456 18.336 -2.154 -8.156
78 HA2 GLY 456 HA2 GLY 456 17.247 -4.574 -6.860
79 HA3 GLY 456 HA1 GLY 456 18.264 -4.719 -8.291
80 H LEU 457 HN LEU 457 18.729 -2.300 -5.790
81 HA LEU 457 HA LEU 457 21.324 -3.549 -5.138
82 HB2 LEU 457 HB2 LEU 457 21.396 -1.259 -6.109
83 HB3 LEU 457 HB1 LEU 457 20.428 -0.680 -4.756
84 HG LEU 457 HG LEU 457 22.198 -1.439 -3.184
85 HD11 LEU 457 HD11 LEU 457 24.482 -1.802 -4.514
86 HD12 LEU 457 HD12 LEU 457 23.385 -2.421 -5.748
87 HD13 LEU 457 HD13 LEU 457 23.413 -3.155 -4.145
88 HD21 LEU 457 HD21 LEU 457 22.260 0.866 -3.893
89 HD22 LEU 457 HD22 LEU 457 23.033 0.429 -5.417
90 HD23 LEU 457 HD23 LEU 457 23.917 0.264 -3.899
91 H ARG 458 HN ARG 458 18.376 -2.183 -3.781
92 HA ARG 458 HA ARG 458 18.876 -1.942 -1.135
93 HB2 ARG 458 HB2 ARG 458 16.578 -2.564 -0.679
94 HB3 ARG 458 HB1 ARG 458 16.648 -1.617 -2.161
95 HG2 ARG 458 HG2 ARG 458 16.541 -4.655 -2.068
96 HG3 ARG 458 HG1 ARG 458 15.150 -3.615 -2.336
97 HD2 ARG 458 HD2 ARG 458 15.722 -4.045 -4.523
98 HD3 ARG 458 HD1 ARG 458 16.703 -2.612 -4.252
99 HE ARG 458 HE ARG 458 18.596 -3.951 -4.398
100 HH11 ARG 458 HH21 ARG 458 15.753 -5.861 -3.916
101 HH12 ARG 458 HH22 ARG 458 16.560 -7.373 -4.168
102 HH21 ARG 458 HH11 ARG 458 19.661 -5.927 -4.729
103 HH22 ARG 458 HH12 ARG 458 18.773 -7.410 -4.630
104 H GLY 459 HN GLY 459 19.056 -4.866 -2.954
105 HA2 GLY 459 HA2 GLY 459 18.787 -6.716 -0.803
106 HA3 GLY 459 HA1 GLY 459 19.520 -7.049 -2.369
107 H ALA 460 HN ALA 460 20.957 -4.346 -1.049
108 HA ALA 460 HA ALA 460 23.078 -5.923 0.277
109 HB1 ALA 460 HB1 ALA 460 23.601 -5.148 -2.123
110 HB2 ALA 460 HB2 ALA 460 24.780 -4.768 -0.869
111 HB3 ALA 460 HB3 ALA 460 23.671 -3.523 -1.444
112 H ILE 461 HN ILE 461 20.864 -3.421 0.471
113 HA ILE 461 HA ILE 461 22.444 -1.774 2.294
114 HB ILE 461 HB ILE 461 19.748 -1.525 1.003
115 HG12 ILE 461 HG12 ILE 461 20.692 0.653 0.333
116 HG13 ILE 461 HG11 ILE 461 22.140 0.322 1.285
117 HG21 ILE 461 HG21 ILE 461 19.609 0.642 2.435
118 HG22 ILE 461 HG22 ILE 461 20.721 -0.188 3.523
119 HG23 ILE 461 HG23 ILE 461 19.135 -0.882 3.186
120 HD11 ILE 461 HD11 ILE 461 21.197 -1.516 -0.925
121 HD12 ILE 461 HD12 ILE 461 22.772 -1.494 -0.131
122 HD13 ILE 461 HD13 ILE 461 22.311 -0.179 -1.213
123 H ALA 462 HN ALA 462 19.291 -3.447 2.403
124 HA ALA 462 HA ALA 462 18.741 -3.216 5.091
125 HB1 ALA 462 HB1 ALA 462 17.059 -4.201 3.783
126 HB2 ALA 462 HB2 ALA 462 17.633 -5.536 4.782
127 HB3 ALA 462 HB3 ALA 462 18.162 -5.400 3.104
128 H PHE 463 HN PHE 463 21.093 -5.262 3.522
129 HA PHE 463 HA PHE 463 21.609 -6.786 5.959
130 HB2 PHE 463 HB2 PHE 463 22.147 -8.312 4.401
131 HB3 PHE 463 HB1 PHE 463 22.168 -7.095 3.125
132 HD1 PHE 463 HD2 PHE 463 24.181 -8.616 5.860
133 HD2 PHE 463 HD1 PHE 463 24.216 -6.159 2.336
134 HE1 PHE 463 HE2 PHE 463 26.661 -8.682 5.837
135 HE2 PHE 463 HE1 PHE 463 26.695 -6.225 2.314
136 HZ PHE 463 HZ PHE 463 27.918 -7.485 4.065
137 H SER 464 HN SER 464 23.382 -4.561 3.807
138 HA SER 464 HA SER 464 25.772 -4.408 5.209
139 HB2 SER 464 HB2 SER 464 25.586 -3.352 3.062
140 HB3 SER 464 HB1 SER 464 24.300 -2.293 3.631
141 HG SER 464 HG SER 464 25.937 -1.006 4.003
142 H LEU 465 HN LEU 465 22.686 -2.854 5.859
143 HA LEU 465 HA LEU 465 23.833 -1.299 8.051
144 HB2 LEU 465 HB2 LEU 465 22.266 0.108 7.256
145 HB3 LEU 465 HB1 LEU 465 21.427 -1.168 6.389
146 HG LEU 465 HG LEU 465 21.167 -0.786 9.392
147 HD11 LEU 465 HD11 LEU 465 19.769 0.549 7.103
148 HD12 LEU 465 HD12 LEU 465 20.282 1.225 8.648
149 HD13 LEU 465 HD13 LEU 465 18.864 0.182 8.572
150 HD21 LEU 465 HD21 LEU 465 18.857 -1.846 8.042
151 HD22 LEU 465 HD22 LEU 465 19.865 -2.634 9.253
152 HD23 LEU 465 HD23 LEU 465 20.267 -2.780 7.543
153 H GLY 466 HN GLY 466 22.071 -4.227 7.475
154 HA2 GLY 466 HA2 GLY 466 21.326 -4.520 10.289
155 HA3 GLY 466 HA1 GLY 466 20.894 -5.611 8.977
156 H TYR 467 HN TYR 467 24.074 -4.945 8.549
157 HA TYR 467 HA TYR 467 24.873 -7.493 9.736
158 HB2 TYR 467 HB2 TYR 467 25.792 -7.454 7.641
159 HB3 TYR 467 HB1 TYR 467 25.926 -5.696 7.614
160 HD1 TYR 467 HD1 TYR 467 27.356 -8.728 9.281
161 HD2 TYR 467 HD2 TYR 467 27.990 -4.664 8.044
162 HE1 TYR 467 HE1 TYR 467 29.740 -8.897 9.945
163 HE2 TYR 467 HE2 TYR 467 30.373 -4.832 8.710
164 HH TYR 467 HH TYR 467 31.587 -7.520 10.525
165 H LEU 468 HN LEU 468 25.451 -4.048 10.085
166 HA LEU 468 HA LEU 468 27.706 -4.287 11.821
167 HB2 LEU 468 HB2 LEU 468 25.764 -1.987 11.485
168 HB3 LEU 468 HB1 LEU 468 27.343 -1.903 12.266
169 HG LEU 468 HG LEU 468 27.229 -2.991 9.485
170 HD11 LEU 468 HD11 LEU 468 26.963 -0.060 10.202
171 HD12 LEU 468 HD12 LEU 468 25.809 -1.032 9.287
172 HD13 LEU 468 HD13 LEU 468 27.390 -0.658 8.598
173 HD21 LEU 468 HD21 LEU 468 29.168 -0.968 10.548
174 HD22 LEU 468 HD22 LEU 468 29.443 -2.291 9.414
175 HD23 LEU 468 HD23 LEU 468 29.267 -2.627 11.136
176 H LEU 469 HN LEU 469 24.640 -2.751 12.720
177 HA LEU 469 HA LEU 469 24.808 -3.036 15.434
178 HB2 LEU 469 HB2 LEU 469 22.343 -2.936 15.488
179 HB3 LEU 469 HB1 LEU 469 23.015 -1.776 14.340
180 HG LEU 469 HG LEU 469 22.713 -4.041 12.789
181 HD11 LEU 469 HD11 LEU 469 20.197 -3.787 14.448
182 HD12 LEU 469 HD12 LEU 469 21.435 -4.993 14.798
183 HD13 LEU 469 HD13 LEU 469 20.591 -5.020 13.251
184 HD21 LEU 469 HD21 LEU 469 20.790 -2.817 11.818
185 HD22 LEU 469 HD22 LEU 469 22.129 -1.724 12.169
186 HD23 LEU 469 HD23 LEU 469 20.734 -1.782 13.246
187 H ASP 470 HN ASP 470 24.426 -5.532 13.134
188 HA ASP 470 HA ASP 470 23.216 -7.444 14.941
189 HB2 ASP 470 HB2 ASP 470 22.674 -7.877 12.711
190 HB3 ASP 470 HB1 ASP 470 24.314 -7.556 12.147
191 H LYS 471 HN LYS 471 26.434 -6.621 13.789
192 HA LYS 471 HA LYS 471 27.582 -8.726 15.521
193 HB2 LYS 471 HB2 LYS 471 28.905 -7.203 13.263
194 HB3 LYS 471 HB1 LYS 471 29.590 -8.558 14.162
195 HG2 LYS 471 HG2 LYS 471 27.076 -8.674 12.466
196 HG3 LYS 471 HG1 LYS 471 28.657 -9.292 11.986
197 HD2 LYS 471 HD2 LYS 471 28.485 -10.613 14.272
198 HD3 LYS 471 HD1 LYS 471 26.754 -10.350 14.046
199 HE2 LYS 471 HE2 LYS 471 27.192 -12.424 12.974
200 HE3 LYS 471 HE1 LYS 471 27.101 -11.248 11.661
201 HZ1 LYS 471 HZ1 LYS 471 29.599 -12.207 12.950
202 HZ2 LYS 471 HZ2 LYS 471 29.506 -11.083 11.680
203 HZ3 LYS 471 HZ3 LYS 471 29.025 -12.693 11.431
204 H LYS 472 HN LYS 472 28.412 -5.447 14.363
205 HA LYS 472 HA LYS 472 29.998 -4.929 16.724
206 HB2 LYS 472 HB2 LYS 472 29.232 -3.303 14.304
207 HB3 LYS 472 HB1 LYS 472 30.094 -2.587 15.667
208 HG2 LYS 472 HG2 LYS 472 31.195 -5.155 14.690
209 HG3 LYS 472 HG1 LYS 472 31.340 -3.800 13.571
210 HD2 LYS 472 HD2 LYS 472 32.508 -2.473 15.200
211 HD3 LYS 472 HD1 LYS 472 32.167 -3.638 16.479
212 HE2 LYS 472 HE2 LYS 472 33.744 -4.372 14.006
213 HE3 LYS 472 HE1 LYS 472 34.513 -3.745 15.465
214 HZ1 LYS 472 HZ1 LYS 472 34.438 -6.188 15.385
215 HZ2 LYS 472 HZ2 LYS 472 32.741 -6.126 15.385
216 HZ3 LYS 472 HZ3 LYS 472 33.615 -5.556 16.725
217 HN1 NH2 473 H1 NH2 473 29.511 -2.635 17.838
218 HN2 NH2 473 H2 NH2 473 27.897 -2.419 18.316
Start of MODEL 27
1 H1 ACE 446 HA2 ACE 446 18.509 0.753 -21.697
2 H2 ACE 446 HA3 ACE 446 19.873 0.700 -20.580
3 H3 ACE 446 HA1 ACE 446 19.255 2.253 -21.142
4 H LYS 447 HN LYS 447 18.039 -0.707 -19.548
5 HA LYS 447 HA LYS 447 16.710 0.993 -17.545
6 HB2 LYS 447 HB2 LYS 447 15.379 -1.317 -18.980
7 HB3 LYS 447 HB1 LYS 447 14.671 -0.349 -17.686
8 HG2 LYS 447 HG2 LYS 447 15.355 1.642 -19.349
9 HG3 LYS 447 HG1 LYS 447 15.146 0.360 -20.543
10 HD2 LYS 447 HD2 LYS 447 13.105 1.310 -18.512
11 HD3 LYS 447 HD1 LYS 447 13.012 1.470 -20.267
12 HE2 LYS 447 HE2 LYS 447 13.327 -1.190 -20.125
13 HE3 LYS 447 HE1 LYS 447 12.568 -0.931 -18.554
14 HZ1 LYS 447 HZ1 LYS 447 11.102 -1.308 -20.630
15 HZ2 LYS 447 HZ2 LYS 447 11.428 0.326 -20.958
16 HZ3 LYS 447 HZ3 LYS 447 10.659 -0.116 -19.508
17 H ASP 448 HN ASP 448 17.928 -2.167 -18.509
18 HA ASP 448 HA ASP 448 17.592 -3.355 -15.908
19 HB2 ASP 448 HB2 ASP 448 19.243 -4.222 -18.293
20 HB3 ASP 448 HB1 ASP 448 18.948 -5.198 -16.855
21 H GLN 449 HN GLN 449 20.013 -1.436 -17.482
22 HA GLN 449 HA GLN 449 22.158 -2.178 -15.697
23 HB2 GLN 449 HB2 GLN 449 21.861 0.065 -17.704
24 HB3 GLN 449 HB1 GLN 449 23.330 -0.239 -16.776
25 HG2 GLN 449 HG2 GLN 449 22.394 -2.698 -17.969
26 HG3 GLN 449 HG1 GLN 449 22.565 -1.455 -19.208
27 HE21 GLN 449 HE21 GLN 449 24.369 -3.042 -16.539
28 HE22 GLN 449 HE22 GLN 449 25.904 -2.755 -17.206
29 H PHE 450 HN PHE 450 19.584 0.130 -15.736
30 HA PHE 450 HA PHE 450 20.787 1.755 -13.623
31 HB2 PHE 450 HB2 PHE 450 18.103 1.971 -15.012
32 HB3 PHE 450 HB1 PHE 450 18.750 3.130 -13.850
33 HD1 PHE 450 HD2 PHE 450 20.860 4.388 -14.386
34 HD2 PHE 450 HD1 PHE 450 18.837 1.951 -17.287
35 HE1 PHE 450 HE2 PHE 450 22.109 5.517 -16.207
36 HE2 PHE 450 HE1 PHE 450 20.086 3.080 -19.108
37 HZ PHE 450 HZ PHE 450 21.722 4.864 -18.566
38 H ILE 451 HN ILE 451 17.939 -0.315 -14.131
39 HA ILE 451 HA ILE 451 16.894 -0.130 -11.526
40 HB ILE 451 HB ILE 451 16.667 -2.180 -13.716
41 HG12 ILE 451 HG12 ILE 451 14.432 -0.669 -12.399
42 HG13 ILE 451 HG11 ILE 451 15.487 0.178 -13.531
43 HG21 ILE 451 HG21 ILE 451 16.423 -3.614 -11.882
44 HG22 ILE 451 HG22 ILE 451 14.766 -3.066 -12.137
45 HG23 ILE 451 HG23 ILE 451 15.745 -2.348 -10.858
46 HD11 ILE 451 HD11 ILE 451 14.430 -2.486 -14.366
47 HD12 ILE 451 HD12 ILE 451 14.770 -1.057 -15.341
48 HD13 ILE 451 HD13 ILE 451 13.306 -1.128 -14.362
49 H ILE 452 HN ILE 452 18.921 -2.688 -12.973
50 HA ILE 452 HA ILE 452 19.289 -4.220 -10.669
51 HB ILE 452 HB ILE 452 19.967 -4.766 -13.076
52 HG12 ILE 452 HG12 ILE 452 21.939 -5.264 -10.821
53 HG13 ILE 452 HG11 ILE 452 20.499 -6.224 -11.162
54 HG21 ILE 452 HG21 ILE 452 22.589 -3.505 -12.282
55 HG22 ILE 452 HG22 ILE 452 21.368 -2.580 -13.156
56 HG23 ILE 452 HG23 ILE 452 22.060 -4.032 -13.879
57 HD11 ILE 452 HD11 ILE 452 21.859 -6.100 -13.607
58 HD12 ILE 452 HD12 ILE 452 21.779 -7.487 -12.523
59 HD13 ILE 452 HD13 ILE 452 23.125 -6.353 -12.406
60 H ALA 453 HN ALA 453 20.997 -1.355 -11.813
61 HA ALA 453 HA ALA 453 23.100 -1.417 -9.907
62 HB1 ALA 453 HB1 ALA 453 23.420 0.952 -10.514
63 HB2 ALA 453 HB2 ALA 453 21.880 0.934 -11.373
64 HB3 ALA 453 HB3 ALA 453 23.220 -0.057 -11.947
65 H TYR 454 HN TYR 454 19.777 -0.475 -9.747
66 HA TYR 454 HA TYR 454 20.095 1.125 -7.345
67 HB2 TYR 454 HB2 TYR 454 17.952 0.513 -9.250
68 HB3 TYR 454 HB1 TYR 454 17.407 0.582 -7.575
69 HD1 TYR 454 HD1 TYR 454 19.829 2.440 -9.767
70 HD2 TYR 454 HD2 TYR 454 16.683 2.678 -6.849
71 HE1 TYR 454 HE1 TYR 454 19.949 4.916 -9.837
72 HE2 TYR 454 HE2 TYR 454 16.803 5.152 -6.921
73 HH TYR 454 HH TYR 454 17.553 6.912 -8.415
74 H GLY 455 HN GLY 455 18.838 -2.070 -8.230
75 HA2 GLY 455 HA2 GLY 455 19.386 -3.889 -6.626
76 HA3 GLY 455 HA1 GLY 455 18.840 -2.799 -5.357
77 H GLY 456 HN GLY 456 17.157 -2.821 -8.386
78 HA2 GLY 456 HA2 GLY 456 14.942 -3.269 -8.859
79 HA3 GLY 456 HA1 GLY 456 15.310 -4.840 -8.156
80 H LEU 457 HN LEU 457 15.598 -2.001 -6.181
81 HA LEU 457 HA LEU 457 13.695 -2.999 -4.294
82 HB2 LEU 457 HB2 LEU 457 14.090 -0.755 -3.178
83 HB3 LEU 457 HB1 LEU 457 15.526 -1.746 -3.422
84 HG LEU 457 HG LEU 457 15.052 -0.109 -5.756
85 HD11 LEU 457 HD11 LEU 457 15.546 2.085 -4.627
86 HD12 LEU 457 HD12 LEU 457 15.211 1.306 -3.081
87 HD13 LEU 457 HD13 LEU 457 13.933 1.458 -4.287
88 HD21 LEU 457 HD21 LEU 457 17.368 0.621 -5.232
89 HD22 LEU 457 HD22 LEU 457 17.202 -1.133 -5.140
90 HD23 LEU 457 HD23 LEU 457 17.249 -0.171 -3.661
91 H ARG 458 HN ARG 458 13.644 -0.532 -6.808
92 HA ARG 458 HA ARG 458 11.958 0.855 -7.560
93 HB2 ARG 458 HB2 ARG 458 11.038 -1.901 -7.459
94 HB3 ARG 458 HB1 ARG 458 9.693 -0.774 -7.306
95 HG2 ARG 458 HG2 ARG 458 10.011 -1.200 -9.654
96 HG3 ARG 458 HG1 ARG 458 10.590 0.435 -9.347
97 HD2 ARG 458 HD2 ARG 458 12.911 -0.708 -9.004
98 HD3 ARG 458 HD1 ARG 458 12.185 -2.074 -9.841
99 HE ARG 458 HE ARG 458 12.198 -0.824 -11.816
100 HH11 ARG 458 HH21 ARG 458 12.952 1.115 -9.049
101 HH12 ARG 458 HH22 ARG 458 13.454 2.488 -9.976
102 HH21 ARG 458 HH11 ARG 458 12.853 0.974 -13.039
103 HH22 ARG 458 HH12 ARG 458 13.400 2.409 -12.234
104 H GLY 459 HN GLY 459 12.386 0.541 -4.509
105 HA2 GLY 459 HA2 GLY 459 9.780 1.166 -3.410
106 HA3 GLY 459 HA1 GLY 459 11.308 1.146 -2.535
107 H ALA 460 HN ALA 460 12.556 2.901 -4.608
108 HA ALA 460 HA ALA 460 11.727 5.430 -3.439
109 HB1 ALA 460 HB1 ALA 460 14.052 4.440 -4.997
110 HB2 ALA 460 HB2 ALA 460 14.006 5.501 -3.589
111 HB3 ALA 460 HB3 ALA 460 13.638 6.143 -5.189
112 H ILE 461 HN ILE 461 11.146 3.623 -6.293
113 HA ILE 461 HA ILE 461 10.428 5.919 -7.923
114 HB ILE 461 HB ILE 461 10.414 2.942 -8.313
115 HG12 ILE 461 HG12 ILE 461 11.825 3.573 -10.241
116 HG13 ILE 461 HG11 ILE 461 11.589 5.279 -9.857
117 HG21 ILE 461 HG21 ILE 461 8.357 3.435 -9.337
118 HG22 ILE 461 HG22 ILE 461 9.503 3.595 -10.665
119 HG23 ILE 461 HG23 ILE 461 8.889 5.035 -9.853
120 HD11 ILE 461 HD11 ILE 461 13.752 4.198 -8.991
121 HD12 ILE 461 HD12 ILE 461 12.728 3.331 -7.847
122 HD13 ILE 461 HD13 ILE 461 12.792 5.093 -7.813
123 H ALA 462 HN ALA 462 8.738 3.193 -6.377
124 HA ALA 462 HA ALA 462 6.129 3.901 -7.119
125 HB1 ALA 462 HB1 ALA 462 7.320 2.286 -4.901
126 HB2 ALA 462 HB2 ALA 462 6.256 1.776 -6.211
127 HB3 ALA 462 HB3 ALA 462 5.602 2.679 -4.844
128 H PHE 463 HN PHE 463 8.225 5.116 -4.597
129 HA PHE 463 HA PHE 463 6.074 6.616 -3.323
130 HB2 PHE 463 HB2 PHE 463 7.446 6.253 -1.579
131 HB3 PHE 463 HB1 PHE 463 8.787 5.806 -2.634
132 HD1 PHE 463 HD1 PHE 463 7.012 8.651 -1.049
133 HD2 PHE 463 HD2 PHE 463 10.465 7.403 -3.278
134 HE1 PHE 463 HE1 PHE 463 8.075 10.851 -0.631
135 HE2 PHE 463 HE2 PHE 463 11.530 9.604 -2.859
136 HZ PHE 463 HZ PHE 463 10.336 11.328 -1.536
137 H SER 464 HN SER 464 9.084 7.291 -5.100
138 HA SER 464 HA SER 464 9.024 10.059 -5.095
139 HB2 SER 464 HB2 SER 464 10.934 8.984 -6.018
140 HB3 SER 464 HB1 SER 464 9.963 8.101 -7.192
141 HG SER 464 HG SER 464 10.323 10.919 -7.064
142 H LEU 465 HN LEU 465 7.223 7.799 -7.123
143 HA LEU 465 HA LEU 465 6.008 10.000 -8.611
144 HB2 LEU 465 HB2 LEU 465 6.189 8.415 -10.199
145 HB3 LEU 465 HB1 LEU 465 6.412 7.132 -9.021
146 HG LEU 465 HG LEU 465 3.690 8.336 -9.633
147 HD11 LEU 465 HD11 LEU 465 4.286 7.446 -11.711
148 HD12 LEU 465 HD12 LEU 465 3.470 6.091 -10.929
149 HD13 LEU 465 HD13 LEU 465 5.232 6.143 -10.991
150 HD21 LEU 465 HD21 LEU 465 4.658 6.466 -7.693
151 HD22 LEU 465 HD22 LEU 465 3.708 5.563 -8.871
152 HD23 LEU 465 HD23 LEU 465 2.984 6.921 -8.013
153 H GLY 466 HN GLY 466 5.337 7.858 -5.972
154 HA2 GLY 466 HA2 GLY 466 2.476 8.463 -5.988
155 HA3 GLY 466 HA1 GLY 466 3.306 7.369 -4.885
156 H TYR 467 HN TYR 467 5.137 10.106 -5.090
157 HA TYR 467 HA TYR 467 4.198 11.039 -2.492
158 HB2 TYR 467 HB2 TYR 467 6.460 11.085 -2.328
159 HB3 TYR 467 HB1 TYR 467 6.685 11.231 -4.071
160 HD1 TYR 467 HD1 TYR 467 5.472 13.174 -1.108
161 HD2 TYR 467 HD2 TYR 467 7.303 13.295 -4.992
162 HE1 TYR 467 HE1 TYR 467 5.855 15.613 -0.853
163 HE2 TYR 467 HE2 TYR 467 7.685 15.733 -4.735
164 HH TYR 467 HH TYR 467 7.463 17.498 -3.421
165 H LEU 468 HN LEU 468 4.726 12.355 -5.758
166 HA LEU 468 HA LEU 468 3.925 14.991 -5.248
167 HB2 LEU 468 HB2 LEU 468 3.774 13.306 -7.753
168 HB3 LEU 468 HB1 LEU 468 3.365 15.022 -7.720
169 HG LEU 468 HG LEU 468 5.900 14.545 -6.389
170 HD11 LEU 468 HD11 LEU 468 7.133 13.972 -8.519
171 HD12 LEU 468 HD12 LEU 468 5.574 13.563 -9.236
172 HD13 LEU 468 HD13 LEU 468 6.175 12.649 -7.853
173 HD21 LEU 468 HD21 LEU 468 6.612 16.338 -7.841
174 HD22 LEU 468 HD22 LEU 468 4.963 16.699 -7.331
175 HD23 LEU 468 HD23 LEU 468 5.265 16.050 -8.942
176 H LEU 469 HN LEU 469 1.917 12.757 -7.156
177 HA LEU 469 HA LEU 469 -0.478 14.076 -6.881
178 HB2 LEU 469 HB2 LEU 469 -1.580 11.906 -7.316
179 HB3 LEU 469 HB1 LEU 469 -0.198 12.166 -8.379
180 HG LEU 469 HG LEU 469 0.964 10.931 -6.204
181 HD11 LEU 469 HD11 LEU 469 -0.409 9.120 -5.502
182 HD12 LEU 469 HD12 LEU 469 -1.595 9.425 -6.769
183 HD13 LEU 469 HD13 LEU 469 -1.451 10.539 -5.411
184 HD21 LEU 469 HD21 LEU 469 1.458 10.385 -8.513
185 HD22 LEU 469 HD22 LEU 469 -0.174 9.765 -8.763
186 HD23 LEU 469 HD23 LEU 469 0.945 8.902 -7.708
187 H ASP 470 HN ASP 470 1.298 12.596 -4.413
188 HA ASP 470 HA ASP 470 -1.051 12.191 -2.697
189 HB2 ASP 470 HB2 ASP 470 0.525 10.391 -2.598
190 HB3 ASP 470 HB1 ASP 470 1.872 11.504 -2.366
191 H LYS 471 HN LYS 471 1.749 14.262 -3.112
192 HA LYS 471 HA LYS 471 1.252 15.650 -0.596
193 HB2 LYS 471 HB2 LYS 471 3.329 16.636 -0.872
194 HB3 LYS 471 HB1 LYS 471 3.559 15.132 -1.754
195 HG2 LYS 471 HG2 LYS 471 4.355 16.672 -3.301
196 HG3 LYS 471 HG1 LYS 471 2.683 16.503 -3.816
197 HD2 LYS 471 HD2 LYS 471 2.470 18.737 -3.597
198 HD3 LYS 471 HD1 LYS 471 2.666 18.551 -1.857
199 HE2 LYS 471 HE2 LYS 471 5.115 18.701 -2.111
200 HE3 LYS 471 HE1 LYS 471 4.921 18.885 -3.855
201 HZ1 LYS 471 HZ1 LYS 471 3.906 20.725 -1.758
202 HZ2 LYS 471 HZ2 LYS 471 3.582 20.882 -3.418
203 HZ3 LYS 471 HZ3 LYS 471 5.174 21.031 -2.844
204 H LYS 472 HN LYS 472 0.563 15.985 -3.980
205 HA LYS 472 HA LYS 472 0.033 18.778 -4.018
206 HB2 LYS 472 HB2 LYS 472 -0.923 16.510 -5.774
207 HB3 LYS 472 HB1 LYS 472 -1.286 18.207 -6.092
208 HG2 LYS 472 HG2 LYS 472 1.562 17.620 -5.551
209 HG3 LYS 472 HG1 LYS 472 0.927 16.929 -7.045
210 HD2 LYS 472 HD2 LYS 472 0.308 19.049 -7.899
211 HD3 LYS 472 HD1 LYS 472 0.435 19.816 -6.315
212 HE2 LYS 472 HE2 LYS 472 2.887 18.516 -7.419
213 HE3 LYS 472 HE1 LYS 472 2.378 20.045 -8.137
214 HZ1 LYS 472 HZ1 LYS 472 3.212 21.099 -6.399
215 HZ2 LYS 472 HZ2 LYS 472 3.700 19.626 -5.707
216 HZ3 LYS 472 HZ3 LYS 472 2.165 20.265 -5.358
217 HN1 NH2 473 H1 NH2 473 -2.775 17.241 -5.159
218 HN2 NH2 473 H2 NH2 473 -3.796 17.619 -3.858
Start of MODEL 28
1 H1 ACE 446 HA2 ACE 446 20.412 2.010 -19.809
2 H2 ACE 446 HA3 ACE 446 19.391 2.939 -20.906
3 H3 ACE 446 HA1 ACE 446 19.410 1.178 -20.997
4 H LYS 447 HN LYS 447 18.269 -0.032 -19.462
5 HA LYS 447 HA LYS 447 16.720 1.433 -17.440
6 HB2 LYS 447 HB2 LYS 447 15.415 1.125 -19.643
7 HB3 LYS 447 HB1 LYS 447 15.371 -0.586 -19.221
8 HG2 LYS 447 HG2 LYS 447 14.397 0.054 -16.994
9 HG3 LYS 447 HG1 LYS 447 14.298 1.718 -17.571
10 HD2 LYS 447 HD2 LYS 447 12.190 1.003 -18.175
11 HD3 LYS 447 HD1 LYS 447 13.070 0.529 -19.629
12 HE2 LYS 447 HE2 LYS 447 11.968 -1.455 -19.121
13 HE3 LYS 447 HE1 LYS 447 13.496 -1.699 -18.275
14 HZ1 LYS 447 HZ1 LYS 447 11.010 -1.792 -17.160
15 HZ2 LYS 447 HZ2 LYS 447 11.591 -0.265 -16.697
16 HZ3 LYS 447 HZ3 LYS 447 12.475 -1.664 -16.317
17 H ASP 448 HN ASP 448 17.771 -1.658 -18.792
18 HA ASP 448 HA ASP 448 17.052 -3.126 -16.398
19 HB2 ASP 448 HB2 ASP 448 17.540 -3.799 -19.066
20 HB3 ASP 448 HB1 ASP 448 18.891 -4.497 -18.172
21 H GLN 449 HN GLN 449 19.781 -1.399 -17.609
22 HA GLN 449 HA GLN 449 21.656 -2.708 -15.792
23 HB2 GLN 449 HB2 GLN 449 21.871 -0.697 -17.997
24 HB3 GLN 449 HB1 GLN 449 23.149 -0.772 -16.783
25 HG2 GLN 449 HG2 GLN 449 23.603 -3.071 -17.272
26 HG3 GLN 449 HG1 GLN 449 22.145 -3.218 -18.251
27 HE21 GLN 449 HE21 GLN 449 23.259 -3.759 -20.229
28 HE22 GLN 449 HE22 GLN 449 24.250 -2.645 -21.040
29 H PHE 450 HN PHE 450 19.468 -0.112 -15.763
30 HA PHE 450 HA PHE 450 20.941 1.434 -13.771
31 HB2 PHE 450 HB2 PHE 450 19.776 3.089 -14.737
32 HB3 PHE 450 HB1 PHE 450 18.772 1.936 -15.615
33 HD1 PHE 450 HD1 PHE 450 19.190 3.651 -12.334
34 HD2 PHE 450 HD2 PHE 450 16.555 1.442 -14.910
35 HE1 PHE 450 HE1 PHE 450 17.292 4.146 -10.817
36 HE2 PHE 450 HE2 PHE 450 14.658 1.937 -13.393
37 HZ PHE 450 HZ PHE 450 15.025 3.289 -11.347
38 H ILE 451 HN ILE 451 18.450 -0.966 -13.959
39 HA ILE 451 HA ILE 451 17.290 -0.469 -11.384
40 HB ILE 451 HB ILE 451 17.189 -2.781 -13.317
41 HG12 ILE 451 HG12 ILE 451 14.947 -1.062 -12.240
42 HG13 ILE 451 HG11 ILE 451 15.919 -0.550 -13.621
43 HG21 ILE 451 HG21 ILE 451 15.313 -3.552 -11.678
44 HG22 ILE 451 HG22 ILE 451 16.175 -2.577 -10.488
45 HG23 ILE 451 HG23 ILE 451 16.988 -3.929 -11.275
46 HD11 ILE 451 HD11 ILE 451 15.235 -2.415 -14.928
47 HD12 ILE 451 HD12 ILE 451 13.760 -1.839 -14.151
48 HD13 ILE 451 HD13 ILE 451 14.591 -3.263 -13.523
49 H ILE 452 HN ILE 452 19.362 -3.123 -12.581
50 HA ILE 452 HA ILE 452 19.887 -4.325 -10.129
51 HB ILE 452 HB ILE 452 21.999 -5.148 -11.236
52 HG12 ILE 452 HG12 ILE 452 20.958 -3.559 -13.599
53 HG13 ILE 452 HG11 ILE 452 22.297 -3.023 -12.584
54 HG21 ILE 452 HG21 ILE 452 20.363 -5.848 -13.382
55 HG22 ILE 452 HG22 ILE 452 19.226 -5.484 -12.084
56 HG23 ILE 452 HG23 ILE 452 20.477 -6.703 -11.843
57 HD11 ILE 452 HD11 ILE 452 22.492 -4.700 -14.806
58 HD12 ILE 452 HD12 ILE 452 22.628 -5.794 -13.429
59 HD13 ILE 452 HD13 ILE 452 23.741 -4.436 -13.590
60 H ALA 453 HN ALA 453 20.840 -1.262 -11.231
61 HA ALA 453 HA ALA 453 23.241 -1.107 -9.588
62 HB1 ALA 453 HB1 ALA 453 23.458 0.143 -11.561
63 HB2 ALA 453 HB2 ALA 453 23.073 1.365 -10.351
64 HB3 ALA 453 HB3 ALA 453 21.820 0.785 -11.447
65 H TYR 454 HN TYR 454 19.862 -0.322 -9.402
66 HA TYR 454 HA TYR 454 20.241 0.558 -6.632
67 HB2 TYR 454 HB2 TYR 454 18.690 2.155 -8.686
68 HB3 TYR 454 HB1 TYR 454 18.755 2.497 -6.958
69 HD1 TYR 454 HD1 TYR 454 21.102 2.839 -5.905
70 HD2 TYR 454 HD2 TYR 454 20.326 3.040 -10.124
71 HE1 TYR 454 HE1 TYR 454 23.207 4.108 -6.232
72 HE2 TYR 454 HE2 TYR 454 22.432 4.310 -10.451
73 HH TYR 454 HH TYR 454 24.853 4.452 -8.234
74 H GLY 455 HN GLY 455 17.565 0.512 -8.996
75 HA2 GLY 455 HA2 GLY 455 15.481 -0.192 -7.405
76 HA3 GLY 455 HA1 GLY 455 15.647 -0.792 -9.054
77 H GLY 456 HN GLY 456 18.165 -2.220 -8.325
78 HA2 GLY 456 HA2 GLY 456 16.879 -4.581 -7.117
79 HA3 GLY 456 HA1 GLY 456 18.307 -4.606 -8.147
80 H LEU 457 HN LEU 457 19.965 -2.789 -7.037
81 HA LEU 457 HA LEU 457 20.831 -4.143 -4.640
82 HB2 LEU 457 HB2 LEU 457 22.541 -3.476 -6.186
83 HB3 LEU 457 HB1 LEU 457 21.945 -1.818 -6.224
84 HG LEU 457 HG LEU 457 22.645 -1.430 -3.951
85 HD11 LEU 457 HD11 LEU 457 23.048 -4.422 -3.925
86 HD12 LEU 457 HD12 LEU 457 22.112 -3.432 -2.805
87 HD13 LEU 457 HD13 LEU 457 23.874 -3.380 -2.766
88 HD21 LEU 457 HD21 LEU 457 24.815 -3.042 -5.325
89 HD22 LEU 457 HD22 LEU 457 25.048 -1.760 -4.138
90 HD23 LEU 457 HD23 LEU 457 24.403 -1.377 -5.735
91 H ARG 458 HN ARG 458 20.655 -0.639 -5.208
92 HA ARG 458 HA ARG 458 19.728 1.061 -3.957
93 HB2 ARG 458 HB2 ARG 458 17.862 -0.811 -3.689
94 HB3 ARG 458 HB1 ARG 458 18.467 -0.842 -2.033
95 HG2 ARG 458 HG2 ARG 458 16.877 0.827 -1.835
96 HG3 ARG 458 HG1 ARG 458 18.275 1.802 -2.285
97 HD2 ARG 458 HD2 ARG 458 17.580 1.674 -4.662
98 HD3 ARG 458 HD1 ARG 458 16.165 0.741 -4.186
99 HE ARG 458 HE ARG 458 15.175 2.711 -3.450
100 HH11 ARG 458 HH21 ARG 458 18.575 3.124 -3.945
101 HH12 ARG 458 HH22 ARG 458 18.537 4.841 -3.730
102 HH21 ARG 458 HH11 ARG 458 15.118 4.964 -3.168
103 HH22 ARG 458 HH12 ARG 458 16.581 5.884 -3.290
104 H GLY 459 HN GLY 459 21.079 -1.707 -2.242
105 HA2 GLY 459 HA2 GLY 459 22.956 -1.614 -0.813
106 HA3 GLY 459 HA1 GLY 459 22.704 0.120 -0.630
107 H ALA 460 HN ALA 460 19.710 -0.958 -0.301
108 HA ALA 460 HA ALA 460 19.962 -1.538 2.590
109 HB1 ALA 460 HB1 ALA 460 18.952 0.455 2.898
110 HB2 ALA 460 HB2 ALA 460 17.494 -0.344 2.310
111 HB3 ALA 460 HB3 ALA 460 18.500 0.583 1.197
112 H ILE 461 HN ILE 461 18.537 -2.303 -0.450
113 HA ILE 461 HA ILE 461 16.507 -4.043 0.726
114 HB ILE 461 HB ILE 461 17.175 -3.111 -2.044
115 HG12 ILE 461 HG12 ILE 461 14.845 -2.450 -2.033
116 HG13 ILE 461 HG11 ILE 461 14.548 -3.349 -0.546
117 HG21 ILE 461 HG21 ILE 461 15.286 -4.749 -2.741
118 HG22 ILE 461 HG22 ILE 461 15.697 -5.620 -1.264
119 HG23 ILE 461 HG23 ILE 461 16.909 -5.403 -2.529
120 HD11 ILE 461 HD11 ILE 461 16.624 -1.167 -0.629
121 HD12 ILE 461 HD12 ILE 461 15.768 -1.823 0.767
122 HD13 ILE 461 HD13 ILE 461 14.923 -0.780 -0.377
123 H ALA 462 HN ALA 462 19.606 -4.226 -0.917
124 HA ALA 462 HA ALA 462 19.527 -7.099 -1.210
125 HB1 ALA 462 HB1 ALA 462 21.661 -6.901 -2.196
126 HB2 ALA 462 HB2 ALA 462 21.999 -5.384 -1.362
127 HB3 ALA 462 HB3 ALA 462 20.823 -5.425 -2.674
128 H PHE 463 HN PHE 463 20.623 -4.801 1.164
129 HA PHE 463 HA PHE 463 22.290 -6.684 2.591
130 HB2 PHE 463 HB2 PHE 463 23.103 -4.722 3.316
131 HB3 PHE 463 HB1 PHE 463 21.695 -3.847 2.715
132 HD1 PHE 463 HD2 PHE 463 23.097 -5.709 5.590
133 HD2 PHE 463 HD1 PHE 463 19.821 -3.331 4.152
134 HE1 PHE 463 HE2 PHE 463 22.259 -5.461 7.910
135 HE2 PHE 463 HE1 PHE 463 18.983 -3.083 6.472
136 HZ PHE 463 HZ PHE 463 20.202 -4.148 8.351
137 H SER 464 HN SER 464 19.142 -5.117 3.187
138 HA SER 464 HA SER 464 18.543 -6.413 5.601
139 HB2 SER 464 HB2 SER 464 17.323 -4.456 4.425
140 HB3 SER 464 HB1 SER 464 16.438 -5.714 3.566
141 HG SER 464 HG SER 464 15.950 -4.785 5.958
142 H LEU 465 HN LEU 465 18.780 -7.671 2.454
143 HA LEU 465 HA LEU 465 16.945 -9.892 2.934
144 HB2 LEU 465 HB2 LEU 465 18.156 -8.647 0.624
145 HB3 LEU 465 HB1 LEU 465 18.441 -10.389 0.608
146 HG LEU 465 HG LEU 465 16.027 -10.783 0.964
147 HD11 LEU 465 HD11 LEU 465 14.830 -9.105 1.879
148 HD12 LEU 465 HD12 LEU 465 14.893 -8.299 0.311
149 HD13 LEU 465 HD13 LEU 465 16.108 -7.937 1.539
150 HD21 LEU 465 HD21 LEU 465 15.777 -10.749 -1.278
151 HD22 LEU 465 HD22 LEU 465 17.286 -9.838 -1.368
152 HD23 LEU 465 HD23 LEU 465 15.745 -8.986 -1.297
153 H GLY 466 HN GLY 466 20.425 -9.342 2.463
154 HA2 GLY 466 HA2 GLY 466 21.054 -12.125 3.027
155 HA3 GLY 466 HA1 GLY 466 22.206 -10.839 2.676
156 H TYR 467 HN TYR 467 20.142 -9.625 4.931
157 HA TYR 467 HA TYR 467 22.082 -10.050 7.074
158 HB2 TYR 467 HB2 TYR 467 21.548 -7.819 7.103
159 HB3 TYR 467 HB1 TYR 467 19.910 -8.093 6.510
160 HD1 TYR 467 HD1 TYR 467 22.100 -8.581 9.498
161 HD2 TYR 467 HD2 TYR 467 18.091 -8.197 8.008
162 HE1 TYR 467 HE1 TYR 467 21.243 -8.494 11.825
163 HE2 TYR 467 HE2 TYR 467 17.234 -8.110 10.334
164 HH TYR 467 HH TYR 467 18.100 -8.982 12.644
165 H LEU 468 HN LEU 468 18.719 -10.750 6.288
166 HA LEU 468 HA LEU 468 17.929 -11.693 8.835
167 HB2 LEU 468 HB2 LEU 468 16.881 -12.471 6.103
168 HB3 LEU 468 HB1 LEU 468 16.062 -12.748 7.640
169 HG LEU 468 HG LEU 468 16.935 -9.960 6.993
170 HD11 LEU 468 HD11 LEU 468 14.709 -9.637 5.838
171 HD12 LEU 468 HD12 LEU 468 14.573 -11.394 5.757
172 HD13 LEU 468 HD13 LEU 468 15.888 -10.571 4.917
173 HD21 LEU 468 HD21 LEU 468 15.716 -10.971 9.129
174 HD22 LEU 468 HD22 LEU 468 14.282 -10.780 8.118
175 HD23 LEU 468 HD23 LEU 468 15.279 -9.378 8.510
176 H LEU 469 HN LEU 469 18.172 -13.797 5.988
177 HA LEU 469 HA LEU 469 18.431 -16.204 7.246
178 HB2 LEU 469 HB2 LEU 469 19.632 -17.006 5.243
179 HB3 LEU 469 HB1 LEU 469 18.254 -15.993 4.814
180 HG LEU 469 HG LEU 469 20.290 -14.147 5.076
181 HD11 LEU 469 HD11 LEU 469 21.388 -16.635 3.729
182 HD12 LEU 469 HD12 LEU 469 21.945 -15.977 5.267
183 HD13 LEU 469 HD13 LEU 469 22.177 -15.059 3.778
184 HD21 LEU 469 HD21 LEU 469 19.183 -15.642 2.688
185 HD22 LEU 469 HD22 LEU 469 20.293 -14.283 2.513
186 HD23 LEU 469 HD23 LEU 469 18.723 -14.044 3.278
187 H ASP 470 HN ASP 470 20.710 -13.646 7.218
188 HA ASP 470 HA ASP 470 23.030 -15.252 7.816
189 HB2 ASP 470 HB2 ASP 470 22.409 -12.395 7.465
190 HB3 ASP 470 HB1 ASP 470 23.675 -12.732 8.642
191 H LYS 471 HN LYS 471 20.711 -13.304 9.648
192 HA LYS 471 HA LYS 471 21.969 -14.199 12.161
193 HB2 LYS 471 HB2 LYS 471 19.974 -11.989 11.609
194 HB3 LYS 471 HB1 LYS 471 20.575 -12.422 13.212
195 HG2 LYS 471 HG2 LYS 471 22.825 -12.130 11.469
196 HG3 LYS 471 HG1 LYS 471 21.797 -10.711 11.280
197 HD2 LYS 471 HD2 LYS 471 21.804 -10.329 13.687
198 HD3 LYS 471 HD1 LYS 471 22.720 -11.813 13.949
199 HE2 LYS 471 HE2 LYS 471 23.711 -9.474 12.295
200 HE3 LYS 471 HE1 LYS 471 24.148 -9.751 13.980
201 HZ1 LYS 471 HZ1 LYS 471 24.773 -11.430 11.628
202 HZ2 LYS 471 HZ2 LYS 471 24.882 -12.030 13.213
203 HZ3 LYS 471 HZ3 LYS 471 25.849 -10.721 12.728
204 H LYS 472 HN LYS 472 18.795 -13.895 10.577
205 HA LYS 472 HA LYS 472 17.409 -15.377 12.600
206 HB2 LYS 472 HB2 LYS 472 16.752 -14.247 9.922
207 HB3 LYS 472 HB1 LYS 472 15.724 -15.543 10.535
208 HG2 LYS 472 HG2 LYS 472 16.439 -13.254 12.343
209 HG3 LYS 472 HG1 LYS 472 15.168 -13.040 11.139
210 HD2 LYS 472 HD2 LYS 472 15.073 -15.521 12.792
211 HD3 LYS 472 HD1 LYS 472 14.646 -14.004 13.585
212 HE2 LYS 472 HE2 LYS 472 13.444 -14.906 10.954
213 HE3 LYS 472 HE1 LYS 472 12.694 -15.208 12.522
214 HZ1 LYS 472 HZ1 LYS 472 13.254 -12.583 12.654
215 HZ2 LYS 472 HZ2 LYS 472 11.751 -13.225 12.187
216 HZ3 LYS 472 HZ3 LYS 472 12.882 -12.759 11.009
217 HN1 NH2 473 H1 NH2 473 18.338 -16.265 9.221
218 HN2 NH2 473 H2 NH2 473 18.336 -17.936 9.518
Start of MODEL 29
1 H1 ACE 446 HA2 ACE 446 20.571 1.696 -20.926
2 H2 ACE 446 HA3 ACE 446 19.280 2.193 -22.019
3 H3 ACE 446 HA1 ACE 446 19.490 0.488 -21.620
4 H LYS 447 HN LYS 447 18.281 -0.315 -20.008
5 HA LYS 447 HA LYS 447 17.269 1.507 -17.927
6 HB2 LYS 447 HB2 LYS 447 15.569 1.120 -19.801
7 HB3 LYS 447 HB1 LYS 447 15.493 -0.549 -19.235
8 HG2 LYS 447 HG2 LYS 447 14.979 0.334 -16.932
9 HG3 LYS 447 HG1 LYS 447 14.860 1.946 -17.637
10 HD2 LYS 447 HD2 LYS 447 12.648 1.333 -17.809
11 HD3 LYS 447 HD1 LYS 447 13.230 0.653 -19.329
12 HE2 LYS 447 HE2 LYS 447 13.668 -1.508 -18.073
13 HE3 LYS 447 HE1 LYS 447 12.803 -0.802 -16.708
14 HZ1 LYS 447 HZ1 LYS 447 11.749 -1.350 -19.425
15 HZ2 LYS 447 HZ2 LYS 447 10.921 -0.411 -18.274
16 HZ3 LYS 447 HZ3 LYS 447 11.250 -2.049 -17.961
17 H ASP 448 HN ASP 448 16.872 -1.913 -18.872
18 HA ASP 448 HA ASP 448 16.682 -3.056 -16.384
19 HB2 ASP 448 HB2 ASP 448 18.126 -4.152 -18.807
20 HB3 ASP 448 HB1 ASP 448 17.636 -5.105 -17.409
21 H GLN 449 HN GLN 449 19.357 -1.378 -17.638
22 HA GLN 449 HA GLN 449 21.332 -2.744 -15.988
23 HB2 GLN 449 HB2 GLN 449 21.422 -0.535 -18.013
24 HB3 GLN 449 HB1 GLN 449 22.776 -0.776 -16.908
25 HG2 GLN 449 HG2 GLN 449 23.242 -2.918 -17.740
26 HG3 GLN 449 HG1 GLN 449 21.632 -3.104 -18.431
27 HE21 GLN 449 HE21 GLN 449 24.528 -3.082 -19.634
28 HE22 GLN 449 HE22 GLN 449 24.374 -2.038 -20.964
29 H PHE 450 HN PHE 450 19.423 0.179 -15.966
30 HA PHE 450 HA PHE 450 20.874 1.451 -13.834
31 HB2 PHE 450 HB2 PHE 450 18.210 1.952 -15.152
32 HB3 PHE 450 HB1 PHE 450 18.730 2.871 -13.740
33 HD1 PHE 450 HD1 PHE 450 19.856 1.833 -17.155
34 HD2 PHE 450 HD2 PHE 450 20.158 4.722 -13.990
35 HE1 PHE 450 HE1 PHE 450 21.250 3.280 -18.609
36 HE2 PHE 450 HE2 PHE 450 21.552 6.168 -15.445
37 HZ PHE 450 HZ PHE 450 22.098 5.447 -17.754
38 H ILE 451 HN ILE 451 18.498 -0.996 -14.059
39 HA ILE 451 HA ILE 451 17.214 -0.664 -11.542
40 HB ILE 451 HB ILE 451 17.618 -3.257 -13.016
41 HG12 ILE 451 HG12 ILE 451 16.910 -1.637 -14.642
42 HG13 ILE 451 HG11 ILE 451 15.526 -2.650 -14.236
43 HG21 ILE 451 HG21 ILE 451 15.288 -2.241 -11.380
44 HG22 ILE 451 HG22 ILE 451 16.565 -3.272 -10.734
45 HG23 ILE 451 HG23 ILE 451 15.509 -3.872 -12.014
46 HD11 ILE 451 HD11 ILE 451 16.108 0.181 -13.420
47 HD12 ILE 451 HD12 ILE 451 14.994 -0.813 -12.487
48 HD13 ILE 451 HD13 ILE 451 14.661 -0.471 -14.182
49 H ILE 452 HN ILE 452 19.530 -3.197 -12.528
50 HA ILE 452 HA ILE 452 20.137 -4.230 -10.063
51 HB ILE 452 HB ILE 452 22.443 -4.690 -11.034
52 HG12 ILE 452 HG12 ILE 452 21.256 -3.441 -13.524
53 HG13 ILE 452 HG11 ILE 452 22.346 -2.558 -12.455
54 HG21 ILE 452 HG21 ILE 452 21.233 -5.870 -13.137
55 HG22 ILE 452 HG22 ILE 452 19.807 -5.438 -12.195
56 HG23 ILE 452 HG23 ILE 452 21.055 -6.462 -11.485
57 HD11 ILE 452 HD11 ILE 452 23.581 -3.618 -14.320
58 HD12 ILE 452 HD12 ILE 452 22.983 -5.196 -13.808
59 HD13 ILE 452 HD13 ILE 452 24.072 -4.283 -12.762
60 H ALA 453 HN ALA 453 21.095 -1.163 -11.409
61 HA ALA 453 HA ALA 453 23.260 -0.551 -9.711
62 HB1 ALA 453 HB1 ALA 453 21.739 1.811 -10.264
63 HB2 ALA 453 HB2 ALA 453 21.728 0.783 -11.697
64 HB3 ALA 453 HB3 ALA 453 23.262 1.290 -10.987
65 H TYR 454 HN TYR 454 19.768 -0.158 -9.329
66 HA TYR 454 HA TYR 454 20.187 0.853 -6.594
67 HB2 TYR 454 HB2 TYR 454 17.871 0.969 -8.515
68 HB3 TYR 454 HB1 TYR 454 17.641 1.254 -6.791
69 HD1 TYR 454 HD1 TYR 454 19.471 2.417 -9.810
70 HD2 TYR 454 HD2 TYR 454 18.346 3.288 -5.758
71 HE1 TYR 454 HE1 TYR 454 20.297 4.739 -10.080
72 HE2 TYR 454 HE2 TYR 454 19.173 5.611 -6.026
73 HH TYR 454 HH TYR 454 20.382 6.778 -9.157
74 H GLY 455 HN GLY 455 19.339 -1.927 -8.363
75 HA2 GLY 455 HA2 GLY 455 18.955 -4.080 -7.582
76 HA3 GLY 455 HA1 GLY 455 18.898 -3.440 -5.942
77 H GLY 456 HN GLY 456 17.009 -3.344 -8.977
78 HA2 GLY 456 HA2 GLY 456 14.717 -3.148 -9.299
79 HA3 GLY 456 HA1 GLY 456 14.683 -4.489 -8.159
80 H LEU 457 HN LEU 457 15.969 -1.491 -7.046
81 HA LEU 457 HA LEU 457 13.662 -1.176 -5.265
82 HB2 LEU 457 HB2 LEU 457 15.763 -1.199 -4.117
83 HB3 LEU 457 HB1 LEU 457 16.463 -0.041 -5.244
84 HG LEU 457 HG LEU 457 15.055 1.736 -4.413
85 HD11 LEU 457 HD11 LEU 457 12.953 0.723 -4.046
86 HD12 LEU 457 HD12 LEU 457 13.505 1.130 -2.421
87 HD13 LEU 457 HD13 LEU 457 13.639 -0.528 -3.008
88 HD21 LEU 457 HD21 LEU 457 16.094 0.074 -2.096
89 HD22 LEU 457 HD22 LEU 457 15.741 1.802 -2.044
90 HD23 LEU 457 HD23 LEU 457 17.051 1.199 -3.059
91 H ARG 458 HN ARG 458 15.826 1.069 -7.007
92 HA ARG 458 HA ARG 458 15.377 2.944 -8.259
93 HB2 ARG 458 HB2 ARG 458 13.266 1.255 -8.854
94 HB3 ARG 458 HB1 ARG 458 12.464 2.731 -8.314
95 HG2 ARG 458 HG2 ARG 458 12.817 3.009 -10.660
96 HG3 ARG 458 HG1 ARG 458 14.043 3.999 -9.870
97 HD2 ARG 458 HD2 ARG 458 15.238 1.487 -10.084
98 HD3 ARG 458 HD1 ARG 458 14.376 1.682 -11.606
99 HE ARG 458 HE ARG 458 16.659 3.228 -10.701
100 HH11 ARG 458 HH21 ARG 458 13.909 3.010 -12.789
101 HH12 ARG 458 HH22 ARG 458 14.531 4.132 -13.953
102 HH21 ARG 458 HH11 ARG 458 17.480 4.702 -12.223
103 HH22 ARG 458 HH12 ARG 458 16.552 5.090 -13.632
104 H GLY 459 HN GLY 459 13.160 2.267 -5.590
105 HA2 GLY 459 HA2 GLY 459 12.765 3.609 -3.720
106 HA3 GLY 459 HA1 GLY 459 13.656 4.915 -4.497
107 H ALA 460 HN ALA 460 11.839 4.149 -6.940
108 HA ALA 460 HA ALA 460 9.555 5.832 -6.094
109 HB1 ALA 460 HB1 ALA 460 10.573 7.122 -7.719
110 HB2 ALA 460 HB2 ALA 460 9.467 6.172 -8.711
111 HB3 ALA 460 HB3 ALA 460 11.167 5.719 -8.609
112 H ILE 461 HN ILE 461 10.567 2.863 -7.565
113 HA ILE 461 HA ILE 461 7.870 2.218 -8.490
114 HB ILE 461 HB ILE 461 10.574 0.939 -8.750
115 HG12 ILE 461 HG12 ILE 461 10.059 1.080 -11.111
116 HG13 ILE 461 HG11 ILE 461 8.384 1.514 -10.768
117 HG21 ILE 461 HG21 ILE 461 9.222 -0.920 -9.968
118 HG22 ILE 461 HG22 ILE 461 7.871 -0.374 -8.976
119 HG23 ILE 461 HG23 ILE 461 9.337 -0.988 -8.210
120 HD11 ILE 461 HD11 ILE 461 10.666 3.200 -9.747
121 HD12 ILE 461 HD12 ILE 461 8.979 3.656 -9.970
122 HD13 ILE 461 HD13 ILE 461 10.023 3.427 -11.373
123 H ALA 462 HN ALA 462 10.127 1.392 -5.928
124 HA ALA 462 HA ALA 462 8.518 -0.783 -4.915
125 HB1 ALA 462 HB1 ALA 462 11.059 -0.514 -4.677
126 HB2 ALA 462 HB2 ALA 462 10.169 -1.016 -3.240
127 HB3 ALA 462 HB3 ALA 462 10.695 0.659 -3.410
128 H PHE 463 HN PHE 463 8.786 2.650 -4.407
129 HA PHE 463 HA PHE 463 7.342 2.647 -1.900
130 HB2 PHE 463 HB2 PHE 463 8.410 4.620 -1.811
131 HB3 PHE 463 HB1 PHE 463 8.766 4.578 -3.539
132 HD1 PHE 463 HD2 PHE 463 6.250 5.546 -0.996
133 HD2 PHE 463 HD1 PHE 463 7.366 5.709 -5.141
134 HE1 PHE 463 HE2 PHE 463 4.497 7.254 -1.401
135 HE2 PHE 463 HE1 PHE 463 5.614 7.416 -5.545
136 HZ PHE 463 HZ PHE 463 4.178 8.188 -3.675
137 H SER 464 HN SER 464 6.630 3.706 -5.232
138 HA SER 464 HA SER 464 3.979 4.479 -4.848
139 HB2 SER 464 HB2 SER 464 5.160 3.173 -7.309
140 HB3 SER 464 HB1 SER 464 3.694 4.150 -7.250
141 HG SER 464 HG SER 464 6.309 5.006 -6.527
142 H LEU 465 HN LEU 465 5.381 1.344 -4.808
143 HA LEU 465 HA LEU 465 2.880 -0.043 -5.361
144 HB2 LEU 465 HB2 LEU 465 5.689 -0.730 -5.271
145 HB3 LEU 465 HB1 LEU 465 4.736 -1.862 -4.308
146 HG LEU 465 HG LEU 465 3.211 -2.205 -6.220
147 HD11 LEU 465 HD11 LEU 465 3.131 -0.590 -7.791
148 HD12 LEU 465 HD12 LEU 465 4.692 -1.166 -8.374
149 HD13 LEU 465 HD13 LEU 465 4.620 0.139 -7.189
150 HD21 LEU 465 HD21 LEU 465 4.725 -3.518 -7.573
151 HD22 LEU 465 HD22 LEU 465 5.308 -3.586 -5.910
152 HD23 LEU 465 HD23 LEU 465 6.101 -2.531 -7.080
153 H GLY 466 HN GLY 466 5.130 0.281 -2.611
154 HA2 GLY 466 HA2 GLY 466 3.324 -1.011 -0.778
155 HA3 GLY 466 HA1 GLY 466 4.834 -0.206 -0.366
156 H TYR 467 HN TYR 467 3.162 1.922 -2.229
157 HA TYR 467 HA TYR 467 2.327 3.463 0.106
158 HB2 TYR 467 HB2 TYR 467 3.395 4.921 -1.311
159 HB3 TYR 467 HB1 TYR 467 2.890 4.053 -2.761
160 HD1 TYR 467 HD1 TYR 467 1.510 6.104 0.055
161 HD2 TYR 467 HD2 TYR 467 1.089 4.854 -4.034
162 HE1 TYR 467 HE1 TYR 467 -0.379 7.685 -0.235
163 HE2 TYR 467 HE2 TYR 467 -0.798 6.434 -4.322
164 HH TYR 467 HH TYR 467 -1.761 8.338 -3.371
165 H LEU 468 HN LEU 468 0.936 1.952 -2.768
166 HA LEU 468 HA LEU 468 -1.688 2.969 -2.468
167 HB2 LEU 468 HB2 LEU 468 -0.781 0.378 -3.748
168 HB3 LEU 468 HB1 LEU 468 -2.345 1.157 -3.988
169 HG LEU 468 HG LEU 468 0.123 2.772 -4.489
170 HD11 LEU 468 HD11 LEU 468 -0.944 0.585 -6.284
171 HD12 LEU 468 HD12 LEU 468 0.701 0.777 -5.682
172 HD13 LEU 468 HD13 LEU 468 0.063 1.906 -6.874
173 HD21 LEU 468 HD21 LEU 468 -2.453 3.406 -4.645
174 HD22 LEU 468 HD22 LEU 468 -2.309 2.648 -6.231
175 HD23 LEU 468 HD23 LEU 468 -1.297 4.033 -5.819
176 H LEU 469 HN LEU 469 -0.865 -0.465 -2.087
177 HA LEU 469 HA LEU 469 -3.018 -1.228 -0.569
178 HB2 LEU 469 HB2 LEU 469 -1.700 -3.121 0.175
179 HB3 LEU 469 HB1 LEU 469 -1.279 -2.761 -1.501
180 HG LEU 469 HG LEU 469 0.472 -1.161 -0.083
181 HD11 LEU 469 HD11 LEU 469 1.396 -2.431 1.711
182 HD12 LEU 469 HD12 LEU 469 0.455 -3.859 1.281
183 HD13 LEU 469 HD13 LEU 469 -0.348 -2.451 1.974
184 HD21 LEU 469 HD21 LEU 469 1.163 -2.406 -2.003
185 HD22 LEU 469 HD22 LEU 469 0.736 -3.942 -1.248
186 HD23 LEU 469 HD23 LEU 469 2.128 -3.030 -0.664
187 H ASP 470 HN ASP 470 -0.472 0.845 0.362
188 HA ASP 470 HA ASP 470 -0.680 0.370 3.208
189 HB2 ASP 470 HB2 ASP 470 1.424 1.170 2.693
190 HB3 ASP 470 HB1 ASP 470 0.821 2.264 1.449
191 H LYS 471 HN LYS 471 -1.919 2.707 0.869
192 HA LYS 471 HA LYS 471 -3.440 4.043 3.013
193 HB2 LYS 471 HB2 LYS 471 -2.872 4.876 0.157
194 HB3 LYS 471 HB1 LYS 471 -3.850 5.799 1.299
195 HG2 LYS 471 HG2 LYS 471 -1.396 5.117 2.595
196 HG3 LYS 471 HG1 LYS 471 -1.007 5.798 1.015
197 HD2 LYS 471 HD2 LYS 471 -2.391 7.762 1.486
198 HD3 LYS 471 HD1 LYS 471 -2.872 7.075 3.037
199 HE2 LYS 471 HE2 LYS 471 0.020 7.099 2.752
200 HE3 LYS 471 HE1 LYS 471 -0.654 8.718 2.565
201 HZ1 LYS 471 HZ1 LYS 471 -1.244 6.868 4.813
202 HZ2 LYS 471 HZ2 LYS 471 -1.832 8.453 4.639
203 HZ3 LYS 471 HZ3 LYS 471 -0.174 8.181 4.885
204 H LYS 472 HN LYS 472 -3.851 2.673 -0.251
205 HA LYS 472 HA LYS 472 -6.746 2.731 -0.001
206 HB2 LYS 472 HB2 LYS 472 -4.857 1.785 -2.157
207 HB3 LYS 472 HB1 LYS 472 -6.603 1.554 -2.256
208 HG2 LYS 472 HG2 LYS 472 -5.766 4.290 -1.527
209 HG3 LYS 472 HG1 LYS 472 -5.299 3.786 -3.152
210 HD2 LYS 472 HD2 LYS 472 -7.563 3.301 -3.754
211 HD3 LYS 472 HD1 LYS 472 -8.106 3.433 -2.082
212 HE2 LYS 472 HE2 LYS 472 -6.732 5.822 -3.173
213 HE3 LYS 472 HE1 LYS 472 -8.307 5.460 -3.877
214 HZ1 LYS 472 HZ1 LYS 472 -8.820 5.103 -1.292
215 HZ2 LYS 472 HZ2 LYS 472 -9.041 6.585 -2.095
216 HZ3 LYS 472 HZ3 LYS 472 -7.632 6.308 -1.187
217 HN1 NH2 473 H1 NH2 473 -6.923 1.233 1.886
218 HN2 NH2 473 H2 NH2 473 -6.776 -0.439 1.637
Start of MODEL 30
1 H1 ACE 446 HA2 ACE 446 19.348 0.683 -20.967
2 H2 ACE 446 HA3 ACE 446 19.219 2.427 -21.191
3 H3 ACE 446 HA1 ACE 446 17.953 1.364 -21.803
4 H LYS 447 HN LYS 447 17.768 -0.357 -19.554
5 HA LYS 447 HA LYS 447 17.054 1.393 -17.308
6 HB2 LYS 447 HB2 LYS 447 15.155 -0.107 -19.029
7 HB3 LYS 447 HB1 LYS 447 14.872 -0.173 -17.290
8 HG2 LYS 447 HG2 LYS 447 14.609 2.162 -17.118
9 HG3 LYS 447 HG1 LYS 447 15.406 2.455 -18.665
10 HD2 LYS 447 HD2 LYS 447 12.924 2.735 -18.787
11 HD3 LYS 447 HD1 LYS 447 13.526 1.478 -19.868
12 HE2 LYS 447 HE2 LYS 447 12.786 -0.263 -18.433
13 HE3 LYS 447 HE1 LYS 447 12.554 0.843 -17.080
14 HZ1 LYS 447 HZ1 LYS 447 10.970 0.734 -19.586
15 HZ2 LYS 447 HZ2 LYS 447 10.809 1.949 -18.410
16 HZ3 LYS 447 HZ3 LYS 447 10.439 0.335 -18.025
17 H ASP 448 HN ASP 448 17.454 -1.860 -18.612
18 HA ASP 448 HA ASP 448 17.215 -3.332 -16.243
19 HB2 ASP 448 HB2 ASP 448 18.145 -3.785 -18.930
20 HB3 ASP 448 HB1 ASP 448 19.239 -4.552 -17.781
21 H GLN 449 HN GLN 449 20.056 -1.773 -17.701
22 HA GLN 449 HA GLN 449 21.859 -2.623 -15.643
23 HB2 GLN 449 HB2 GLN 449 21.991 -0.660 -17.910
24 HB3 GLN 449 HB1 GLN 449 23.256 -0.673 -16.681
25 HG2 GLN 449 HG2 GLN 449 22.452 -3.308 -17.809
26 HG3 GLN 449 HG1 GLN 449 23.365 -2.236 -18.868
27 HE21 GLN 449 HE21 GLN 449 23.500 -3.366 -15.434
28 HE22 GLN 449 HE22 GLN 449 25.191 -3.526 -15.411
29 H PHE 450 HN PHE 450 19.464 -0.221 -15.824
30 HA PHE 450 HA PHE 450 20.730 1.565 -13.896
31 HB2 PHE 450 HB2 PHE 450 17.976 1.612 -15.156
32 HB3 PHE 450 HB1 PHE 450 18.636 2.868 -14.108
33 HD1 PHE 450 HD1 PHE 450 19.366 0.983 -17.260
34 HD2 PHE 450 HD2 PHE 450 19.924 4.607 -15.022
35 HE1 PHE 450 HE1 PHE 450 20.499 2.013 -19.211
36 HE2 PHE 450 HE2 PHE 450 21.058 5.636 -16.973
37 HZ PHE 450 HZ PHE 450 21.345 4.340 -19.067
38 H ILE 451 HN ILE 451 18.228 -0.903 -14.025
39 HA ILE 451 HA ILE 451 17.210 -0.419 -11.393
40 HB ILE 451 HB ILE 451 16.982 -2.754 -13.296
41 HG12 ILE 451 HG12 ILE 451 14.697 -1.095 -12.320
42 HG13 ILE 451 HG11 ILE 451 15.809 -0.349 -13.469
43 HG21 ILE 451 HG21 ILE 451 16.181 -2.460 -10.440
44 HG22 ILE 451 HG22 ILE 451 16.602 -3.913 -11.345
45 HG23 ILE 451 HG23 ILE 451 15.003 -3.192 -11.529
46 HD11 ILE 451 HD11 ILE 451 13.864 -1.536 -14.550
47 HD12 ILE 451 HD12 ILE 451 14.504 -3.048 -13.908
48 HD13 ILE 451 HD13 ILE 451 15.443 -2.119 -15.075
49 H ILE 452 HN ILE 452 19.212 -3.056 -12.737
50 HA ILE 452 HA ILE 452 19.806 -4.336 -10.334
51 HB ILE 452 HB ILE 452 20.344 -4.997 -12.801
52 HG12 ILE 452 HG12 ILE 452 22.185 -5.528 -10.448
53 HG13 ILE 452 HG11 ILE 452 20.783 -6.482 -10.937
54 HG21 ILE 452 HG21 ILE 452 22.461 -4.402 -13.636
55 HG22 ILE 452 HG22 ILE 452 23.044 -3.890 -12.054
56 HG23 ILE 452 HG23 ILE 452 21.880 -2.895 -12.929
57 HD11 ILE 452 HD11 ILE 452 22.463 -7.732 -11.921
58 HD12 ILE 452 HD12 ILE 452 23.498 -6.328 -12.180
59 HD13 ILE 452 HD13 ILE 452 22.115 -6.610 -13.238
60 H ALA 453 HN ALA 453 20.647 -1.229 -11.283
61 HA ALA 453 HA ALA 453 23.158 -1.139 -9.794
62 HB1 ALA 453 HB1 ALA 453 22.949 0.131 -11.898
63 HB2 ALA 453 HB2 ALA 453 23.256 1.198 -10.527
64 HB3 ALA 453 HB3 ALA 453 21.629 1.066 -11.197
65 H TYR 454 HN TYR 454 19.809 -0.103 -9.504
66 HA TYR 454 HA TYR 454 20.320 0.547 -6.676
67 HB2 TYR 454 HB2 TYR 454 18.629 2.233 -8.536
68 HB3 TYR 454 HB1 TYR 454 18.915 2.530 -6.821
69 HD1 TYR 454 HD2 TYR 454 21.494 2.563 -6.131
70 HD2 TYR 454 HD1 TYR 454 19.987 3.352 -10.075
71 HE1 TYR 454 HE2 TYR 454 23.575 3.795 -6.680
72 HE2 TYR 454 HE1 TYR 454 22.068 4.583 -10.625
73 HH TYR 454 HH TYR 454 23.923 5.550 -9.720
74 H GLY 455 HN GLY 455 17.557 0.572 -8.940
75 HA2 GLY 455 HA2 GLY 455 15.521 -0.143 -7.296
76 HA3 GLY 455 HA1 GLY 455 15.633 -0.725 -8.954
77 H GLY 456 HN GLY 456 18.155 -2.182 -8.340
78 HA2 GLY 456 HA2 GLY 456 16.909 -4.527 -7.050
79 HA3 GLY 456 HA1 GLY 456 18.237 -4.587 -8.206
80 H LEU 457 HN LEU 457 19.551 -2.267 -6.842
81 HA LEU 457 HA LEU 457 20.858 -3.835 -4.734
82 HB2 LEU 457 HB2 LEU 457 22.234 -2.802 -6.547
83 HB3 LEU 457 HB1 LEU 457 21.711 -1.214 -5.989
84 HG LEU 457 HG LEU 457 22.677 -1.712 -3.745
85 HD11 LEU 457 HD11 LEU 457 22.793 -3.995 -3.420
86 HD12 LEU 457 HD12 LEU 457 24.441 -3.707 -3.977
87 HD13 LEU 457 HD13 LEU 457 23.226 -4.320 -5.098
88 HD21 LEU 457 HD21 LEU 457 25.138 -1.872 -4.677
89 HD22 LEU 457 HD22 LEU 457 24.154 -0.453 -5.036
90 HD23 LEU 457 HD23 LEU 457 24.341 -1.725 -6.243
91 H ARG 458 HN ARG 458 19.784 -0.465 -5.235
92 HA ARG 458 HA ARG 458 18.747 1.010 -3.804
93 HB2 ARG 458 HB2 ARG 458 17.771 -1.410 -2.969
94 HB3 ARG 458 HB1 ARG 458 18.546 -0.810 -1.505
95 HG2 ARG 458 HG2 ARG 458 16.349 0.070 -1.403
96 HG3 ARG 458 HG1 ARG 458 17.330 1.414 -1.985
97 HD2 ARG 458 HD2 ARG 458 15.835 1.544 -3.679
98 HD3 ARG 458 HD1 ARG 458 16.648 0.123 -4.327
99 HE ARG 458 HE ARG 458 14.756 -1.101 -3.804
100 HH11 ARG 458 HH21 ARG 458 14.868 1.818 -1.950
101 HH12 ARG 458 HH22 ARG 458 13.309 1.585 -1.234
102 HH21 ARG 458 HH11 ARG 458 12.711 -1.413 -2.867
103 HH22 ARG 458 HH12 ARG 458 12.087 -0.244 -1.753
104 H GLY 459 HN GLY 459 21.225 -1.113 -2.471
105 HA2 GLY 459 HA2 GLY 459 23.209 -0.529 -1.417
106 HA3 GLY 459 HA1 GLY 459 22.725 1.161 -1.509
107 H ALA 460 HN ALA 460 20.062 0.259 -0.268
108 HA ALA 460 HA ALA 460 21.009 0.421 2.519
109 HB1 ALA 460 HB1 ALA 460 18.188 0.864 1.542
110 HB2 ALA 460 HB2 ALA 460 19.398 2.148 1.558
111 HB3 ALA 460 HB3 ALA 460 18.905 1.380 3.068
112 H ILE 461 HN ILE 461 19.436 -1.642 0.265
113 HA ILE 461 HA ILE 461 18.287 -3.354 2.337
114 HB ILE 461 HB ILE 461 18.132 -3.209 -0.649
115 HG12 ILE 461 HG12 ILE 461 15.754 -3.260 -0.203
116 HG13 ILE 461 HG11 ILE 461 16.031 -3.705 1.480
117 HG21 ILE 461 HG21 ILE 461 17.735 -5.667 1.058
118 HG22 ILE 461 HG22 ILE 461 18.597 -5.520 -0.475
119 HG23 ILE 461 HG23 ILE 461 16.837 -5.442 -0.442
120 HD11 ILE 461 HD11 ILE 461 17.215 -1.169 0.385
121 HD12 ILE 461 HD12 ILE 461 16.807 -1.570 2.052
122 HD13 ILE 461 HD13 ILE 461 15.529 -1.206 0.895
123 H ALA 462 HN ALA 462 20.822 -3.431 -0.141
124 HA ALA 462 HA ALA 462 21.662 -6.083 0.225
125 HB1 ALA 462 HB1 ALA 462 22.875 -5.388 -1.533
126 HB2 ALA 462 HB2 ALA 462 23.966 -4.626 -0.376
127 HB3 ALA 462 HB3 ALA 462 22.652 -3.695 -1.096
128 H PHE 463 HN PHE 463 22.373 -3.148 2.013
129 HA PHE 463 HA PHE 463 24.503 -4.308 3.564
130 HB2 PHE 463 HB2 PHE 463 24.857 -2.107 3.841
131 HB3 PHE 463 HB1 PHE 463 23.229 -1.712 3.287
132 HD1 PHE 463 HD1 PHE 463 25.300 -2.574 6.222
133 HD2 PHE 463 HD2 PHE 463 21.393 -1.435 4.848
134 HE1 PHE 463 HE1 PHE 463 24.618 -2.097 8.558
135 HE2 PHE 463 HE2 PHE 463 20.711 -0.958 7.184
136 HZ PHE 463 HZ PHE 463 22.323 -1.289 9.039
137 H SER 464 HN SER 464 21.098 -3.475 4.196
138 HA SER 464 HA SER 464 20.974 -4.322 6.859
139 HB2 SER 464 HB2 SER 464 18.548 -4.514 6.493
140 HB3 SER 464 HB1 SER 464 19.184 -3.036 5.776
141 HG SER 464 HG SER 464 19.411 -4.921 3.960
142 H LEU 465 HN LEU 465 21.442 -6.144 4.032
143 HA LEU 465 HA LEU 465 20.325 -8.608 5.135
144 HB2 LEU 465 HB2 LEU 465 21.135 -7.649 2.506
145 HB3 LEU 465 HB1 LEU 465 21.758 -9.264 2.847
146 HG LEU 465 HG LEU 465 19.503 -10.033 3.435
147 HD11 LEU 465 HD11 LEU 465 17.808 -8.028 2.501
148 HD12 LEU 465 HD12 LEU 465 19.009 -7.154 3.452
149 HD13 LEU 465 HD13 LEU 465 18.075 -8.454 4.191
150 HD21 LEU 465 HD21 LEU 465 18.939 -10.379 1.252
151 HD22 LEU 465 HD22 LEU 465 20.435 -9.509 0.910
152 HD23 LEU 465 HD23 LEU 465 18.893 -8.653 0.893
153 H GLY 466 HN GLY 466 23.495 -7.317 4.158
154 HA2 GLY 466 HA2 GLY 466 24.894 -9.613 5.250
155 HA3 GLY 466 HA1 GLY 466 25.627 -8.195 4.506
156 H TYR 467 HN TYR 467 23.417 -7.056 6.660
157 HA TYR 467 HA TYR 467 25.498 -6.443 8.617
158 HB2 TYR 467 HB2 TYR 467 24.364 -4.487 8.222
159 HB3 TYR 467 HB1 TYR 467 22.840 -5.311 7.893
160 HD1 TYR 467 HD1 TYR 467 25.229 -4.481 10.644
161 HD2 TYR 467 HD2 TYR 467 21.202 -5.528 9.578
162 HE1 TYR 467 HE1 TYR 467 24.502 -4.069 12.979
163 HE2 TYR 467 HE2 TYR 467 20.476 -5.117 11.912
164 HH TYR 467 HH TYR 467 21.783 -3.414 13.970
165 H LEU 468 HN LEU 468 22.427 -8.154 8.380
166 HA LEU 468 HA LEU 468 22.053 -8.638 11.140
167 HB2 LEU 468 HB2 LEU 468 21.140 -10.292 8.774
168 HB3 LEU 468 HB1 LEU 468 20.503 -10.399 10.415
169 HG LEU 468 HG LEU 468 20.529 -7.717 9.089
170 HD11 LEU 468 HD11 LEU 468 18.250 -8.273 8.145
171 HD12 LEU 468 HD12 LEU 468 18.611 -9.971 8.460
172 HD13 LEU 468 HD13 LEU 468 19.600 -9.055 7.323
173 HD21 LEU 468 HD21 LEU 468 18.268 -8.908 10.648
174 HD22 LEU 468 HD22 LEU 468 18.851 -7.243 10.616
175 HD23 LEU 468 HD23 LEU 468 19.741 -8.473 11.513
176 H LEU 469 HN LEU 469 22.768 -11.208 8.796
177 HA LEU 469 HA LEU 469 23.734 -13.101 10.509
178 HB2 LEU 469 HB2 LEU 469 24.921 -14.077 8.641
179 HB3 LEU 469 HB1 LEU 469 23.409 -13.392 8.047
180 HG LEU 469 HG LEU 469 25.146 -11.254 7.854
181 HD11 LEU 469 HD11 LEU 469 27.210 -12.008 6.937
182 HD12 LEU 469 HD12 LEU 469 26.635 -13.670 6.812
183 HD13 LEU 469 HD13 LEU 469 26.977 -12.973 8.394
184 HD21 LEU 469 HD21 LEU 469 24.283 -13.370 5.870
185 HD22 LEU 469 HD22 LEU 469 25.184 -11.937 5.377
186 HD23 LEU 469 HD23 LEU 469 23.593 -11.766 6.118
187 H ASP 470 HN ASP 470 25.201 -10.111 9.714
188 HA ASP 470 HA ASP 470 27.896 -10.862 10.423
189 HB2 ASP 470 HB2 ASP 470 26.506 -8.461 9.464
190 HB3 ASP 470 HB1 ASP 470 27.809 -8.126 10.603
191 H LYS 471 HN LYS 471 25.190 -9.199 11.984
192 HA LYS 471 HA LYS 471 26.722 -9.108 14.503
193 HB2 LYS 471 HB2 LYS 471 24.161 -7.699 13.714
194 HB3 LYS 471 HB1 LYS 471 24.993 -7.519 15.259
195 HG2 LYS 471 HG2 LYS 471 26.977 -7.105 13.316
196 HG3 LYS 471 HG1 LYS 471 25.563 -6.237 12.719
197 HD2 LYS 471 HD2 LYS 471 25.336 -5.111 14.911
198 HD3 LYS 471 HD1 LYS 471 26.773 -5.957 15.485
199 HE2 LYS 471 HE2 LYS 471 28.192 -4.802 13.985
200 HE3 LYS 471 HE1 LYS 471 26.842 -4.271 12.984
201 HZ1 LYS 471 HZ1 LYS 471 27.369 -3.403 15.775
202 HZ2 LYS 471 HZ2 LYS 471 26.077 -2.885 14.801
203 HZ3 LYS 471 HZ3 LYS 471 27.673 -2.482 14.383
204 H LYS 472 HN LYS 472 23.529 -10.001 13.205
205 HA LYS 472 HA LYS 472 22.891 -11.455 15.655
206 HB2 LYS 472 HB2 LYS 472 21.324 -11.000 13.105
207 HB3 LYS 472 HB1 LYS 472 20.717 -11.880 14.510
208 HG2 LYS 472 HG2 LYS 472 21.859 -9.158 14.966
209 HG3 LYS 472 HG1 LYS 472 20.268 -9.265 14.211
210 HD2 LYS 472 HD2 LYS 472 20.842 -10.903 16.662
211 HD3 LYS 472 HD1 LYS 472 20.460 -9.190 16.837
212 HE2 LYS 472 HE2 LYS 472 18.292 -9.454 16.112
213 HE3 LYS 472 HE1 LYS 472 18.701 -10.801 15.048
214 HZ1 LYS 472 HZ1 LYS 472 18.600 -12.301 16.750
215 HZ2 LYS 472 HZ2 LYS 472 17.411 -11.201 17.262
216 HZ3 LYS 472 HZ3 LYS 472 18.964 -11.157 17.948
217 HN1 NH2 473 H1 NH2 473 22.832 -13.739 15.793
218 HN2 NH2 473 H2 NH2 473 23.324 -14.762 14.531
Start of MODEL 31
1 H1 ACE 446 HA2 ACE 446 19.434 2.597 -21.242
2 H2 ACE 446 HA3 ACE 446 18.471 1.398 -22.103
3 H3 ACE 446 HA1 ACE 446 19.708 0.878 -20.959
4 H LYS 447 HN LYS 447 18.434 -0.210 -19.503
5 HA LYS 447 HA LYS 447 16.888 1.390 -17.669
6 HB2 LYS 447 HB2 LYS 447 15.510 0.239 -19.824
7 HB3 LYS 447 HB1 LYS 447 15.193 -0.828 -18.459
8 HG2 LYS 447 HG2 LYS 447 14.841 2.186 -18.375
9 HG3 LYS 447 HG1 LYS 447 13.535 1.039 -18.665
10 HD2 LYS 447 HD2 LYS 447 13.323 0.652 -16.463
11 HD3 LYS 447 HD1 LYS 447 15.024 0.206 -16.347
12 HE2 LYS 447 HE2 LYS 447 14.366 2.164 -14.897
13 HE3 LYS 447 HE1 LYS 447 15.678 2.506 -16.022
14 HZ1 LYS 447 HZ1 LYS 447 13.129 2.979 -17.201
15 HZ2 LYS 447 HZ2 LYS 447 14.458 4.027 -17.050
16 HZ3 LYS 447 HZ3 LYS 447 13.327 3.894 -15.787
17 H ASP 448 HN ASP 448 16.867 -2.050 -18.599
18 HA ASP 448 HA ASP 448 16.896 -3.091 -16.018
19 HB2 ASP 448 HB2 ASP 448 18.318 -4.458 -18.286
20 HB3 ASP 448 HB1 ASP 448 17.357 -5.172 -16.992
21 H GLN 449 HN GLN 449 19.306 -1.321 -17.544
22 HA GLN 449 HA GLN 449 21.531 -2.613 -16.162
23 HB2 GLN 449 HB2 GLN 449 21.491 -0.132 -17.898
24 HB3 GLN 449 HB1 GLN 449 22.928 -0.981 -17.327
25 HG2 GLN 449 HG2 GLN 449 21.677 -3.056 -18.467
26 HG3 GLN 449 HG1 GLN 449 20.977 -1.765 -19.442
27 HE21 GLN 449 HE21 GLN 449 24.105 -3.199 -18.455
28 HE22 GLN 449 HE22 GLN 449 24.975 -2.595 -19.780
29 H PHE 450 HN PHE 450 19.324 -0.011 -15.728
30 HA PHE 450 HA PHE 450 21.010 1.344 -13.761
31 HB2 PHE 450 HB2 PHE 450 18.184 1.938 -14.675
32 HB3 PHE 450 HB1 PHE 450 19.169 2.962 -13.629
33 HD1 PHE 450 HD1 PHE 450 19.166 1.334 -16.999
34 HD2 PHE 450 HD2 PHE 450 20.626 4.554 -14.560
35 HE1 PHE 450 HE1 PHE 450 20.213 2.370 -18.994
36 HE2 PHE 450 HE2 PHE 450 21.672 5.590 -16.555
37 HZ PHE 450 HZ PHE 450 21.466 4.498 -18.772
38 H ILE 451 HN ILE 451 18.150 -0.700 -13.931
39 HA ILE 451 HA ILE 451 17.236 -0.429 -11.295
40 HB ILE 451 HB ILE 451 17.083 -2.683 -13.290
41 HG12 ILE 451 HG12 ILE 451 14.761 -1.204 -12.115
42 HG13 ILE 451 HG11 ILE 451 15.776 -0.357 -13.283
43 HG21 ILE 451 HG21 ILE 451 16.269 -2.602 -10.405
44 HG22 ILE 451 HG22 ILE 451 16.910 -3.948 -11.347
45 HG23 ILE 451 HG23 ILE 451 15.232 -3.443 -11.557
46 HD11 ILE 451 HD11 ILE 451 14.872 -3.136 -13.932
47 HD12 ILE 451 HD12 ILE 451 15.217 -1.790 -15.017
48 HD13 ILE 451 HD13 ILE 451 13.715 -1.815 -14.094
49 H ILE 452 HN ILE 452 19.480 -2.835 -12.677
50 HA ILE 452 HA ILE 452 20.030 -4.227 -10.312
51 HB ILE 452 HB ILE 452 22.202 -4.823 -11.470
52 HG12 ILE 452 HG12 ILE 452 21.055 -3.309 -13.816
53 HG13 ILE 452 HG11 ILE 452 22.175 -2.530 -12.697
54 HG21 ILE 452 HG21 ILE 452 20.793 -5.695 -13.582
55 HG22 ILE 452 HG22 ILE 452 19.450 -5.175 -12.563
56 HG23 ILE 452 HG23 ILE 452 20.588 -6.387 -11.973
57 HD11 ILE 452 HD11 ILE 452 23.961 -3.754 -13.423
58 HD12 ILE 452 HD12 ILE 452 22.980 -3.939 -14.876
59 HD13 ILE 452 HD13 ILE 452 22.995 -5.211 -13.654
60 H ALA 453 HN ALA 453 20.860 -1.050 -11.220
61 HA ALA 453 HA ALA 453 23.237 -0.875 -9.560
62 HB1 ALA 453 HB1 ALA 453 21.854 1.584 -10.485
63 HB2 ALA 453 HB2 ALA 453 22.480 0.511 -11.737
64 HB3 ALA 453 HB3 ALA 453 23.568 1.173 -10.518
65 H TYR 454 HN TYR 454 19.817 -0.125 -9.344
66 HA TYR 454 HA TYR 454 20.180 0.452 -6.481
67 HB2 TYR 454 HB2 TYR 454 18.502 2.134 -8.358
68 HB3 TYR 454 HB1 TYR 454 18.626 2.343 -6.611
69 HD1 TYR 454 HD2 TYR 454 21.021 2.678 -5.639
70 HD2 TYR 454 HD1 TYR 454 20.013 3.237 -9.777
71 HE1 TYR 454 HE2 TYR 454 23.054 4.065 -5.947
72 HE2 TYR 454 HE1 TYR 454 22.045 4.624 -10.086
73 HH TYR 454 HH TYR 454 24.569 4.691 -7.922
74 H GLY 455 HN GLY 455 17.465 0.510 -8.795
75 HA2 GLY 455 HA2 GLY 455 15.455 -0.458 -7.250
76 HA3 GLY 455 HA1 GLY 455 15.606 -0.867 -8.956
77 H GLY 456 HN GLY 456 18.270 -2.189 -8.254
78 HA2 GLY 456 HA2 GLY 456 17.102 -4.787 -7.536
79 HA3 GLY 456 HA1 GLY 456 18.662 -4.532 -8.310
80 H LEU 457 HN LEU 457 19.569 -2.483 -6.506
81 HA LEU 457 HA LEU 457 20.571 -4.174 -4.398
82 HB2 LEU 457 HB2 LEU 457 22.103 -2.592 -5.346
83 HB3 LEU 457 HB1 LEU 457 20.984 -1.257 -5.084
84 HG LEU 457 HG LEU 457 21.257 -1.392 -2.692
85 HD11 LEU 457 HD11 LEU 457 22.950 -3.149 -1.819
86 HD12 LEU 457 HD12 LEU 457 22.658 -3.984 -3.345
87 HD13 LEU 457 HD13 LEU 457 21.328 -3.710 -2.221
88 HD21 LEU 457 HD21 LEU 457 23.268 -0.363 -2.731
89 HD22 LEU 457 HD22 LEU 457 23.322 -0.772 -4.445
90 HD23 LEU 457 HD23 LEU 457 24.091 -1.829 -3.263
91 H ARG 458 HN ARG 458 19.020 -0.959 -4.260
92 HA ARG 458 HA ARG 458 18.411 -0.792 -1.621
93 HB2 ARG 458 HB2 ARG 458 16.980 0.126 -4.076
94 HB3 ARG 458 HB1 ARG 458 16.161 0.285 -2.522
95 HG2 ARG 458 HG2 ARG 458 17.455 2.321 -3.062
96 HG3 ARG 458 HG1 ARG 458 18.087 1.527 -1.621
97 HD2 ARG 458 HD2 ARG 458 19.887 0.520 -2.888
98 HD3 ARG 458 HD1 ARG 458 19.200 1.096 -4.404
99 HE ARG 458 HE ARG 458 20.057 3.223 -3.942
100 HH11 ARG 458 HH21 ARG 458 20.299 1.102 -1.217
101 HH12 ARG 458 HH22 ARG 458 21.331 2.159 -0.312
102 HH21 ARG 458 HH11 ARG 458 21.410 4.612 -2.760
103 HH22 ARG 458 HH12 ARG 458 21.958 4.147 -1.185
104 H GLY 459 HN GLY 459 17.111 -3.054 -3.874
105 HA2 GLY 459 HA2 GLY 459 14.653 -3.748 -2.848
106 HA3 GLY 459 HA1 GLY 459 15.782 -4.910 -3.537
107 H ALA 460 HN ALA 460 17.629 -3.821 -1.230
108 HA ALA 460 HA ALA 460 16.789 -5.881 0.679
109 HB1 ALA 460 HB1 ALA 460 19.097 -6.012 -0.021
110 HB2 ALA 460 HB2 ALA 460 19.060 -5.489 1.662
111 HB3 ALA 460 HB3 ALA 460 19.359 -4.315 0.382
112 H ILE 461 HN ILE 461 18.229 -2.630 0.981
113 HA ILE 461 HA ILE 461 17.524 -2.124 3.601
114 HB ILE 461 HB ILE 461 17.937 -0.348 1.218
115 HG12 ILE 461 HG12 ILE 461 19.871 0.375 2.570
116 HG13 ILE 461 HG11 ILE 461 19.339 -0.663 3.892
117 HG21 ILE 461 HG21 ILE 461 16.864 0.413 3.928
118 HG22 ILE 461 HG22 ILE 461 16.333 0.960 2.337
119 HG23 ILE 461 HG23 ILE 461 17.858 1.540 3.006
120 HD11 ILE 461 HD11 ILE 461 19.726 -2.647 2.620
121 HD12 ILE 461 HD12 ILE 461 21.148 -1.635 2.369
122 HD13 ILE 461 HD13 ILE 461 19.905 -1.734 1.121
123 H ALA 462 HN ALA 462 15.580 -1.759 0.678
124 HA ALA 462 HA ALA 462 13.396 -0.378 1.769
125 HB1 ALA 462 HB1 ALA 462 14.003 -1.236 -0.706
126 HB2 ALA 462 HB2 ALA 462 12.367 -0.778 -0.232
127 HB3 ALA 462 HB3 ALA 462 12.834 -2.478 -0.254
128 H PHE 463 HN PHE 463 14.336 -3.736 1.969
129 HA PHE 463 HA PHE 463 11.779 -4.608 3.022
130 HB2 PHE 463 HB2 PHE 463 12.579 -6.563 2.272
131 HB3 PHE 463 HB1 PHE 463 14.173 -5.856 2.011
132 HD1 PHE 463 HD1 PHE 463 11.954 -7.243 4.685
133 HD2 PHE 463 HD2 PHE 463 15.976 -6.418 3.418
134 HE1 PHE 463 HE1 PHE 463 12.826 -8.481 6.648
135 HE2 PHE 463 HE2 PHE 463 16.848 -7.656 5.384
136 HZ PHE 463 HZ PHE 463 15.273 -8.687 6.998
137 H SER 464 HN SER 464 15.070 -4.104 4.279
138 HA SER 464 HA SER 464 14.705 -4.896 6.906
139 HB2 SER 464 HB2 SER 464 16.341 -2.546 5.925
140 HB3 SER 464 HB1 SER 464 16.535 -3.365 7.473
141 HG SER 464 HG SER 464 17.799 -4.656 6.407
142 H LEU 465 HN LEU 465 13.832 -1.844 5.358
143 HA LEU 465 HA LEU 465 13.025 -0.543 7.781
144 HB2 LEU 465 HB2 LEU 465 12.912 0.036 4.873
145 HB3 LEU 465 HB1 LEU 465 11.703 0.834 5.880
146 HG LEU 465 HG LEU 465 13.437 1.758 7.315
147 HD11 LEU 465 HD11 LEU 465 15.122 -0.165 5.782
148 HD12 LEU 465 HD12 LEU 465 15.201 0.290 7.484
149 HD13 LEU 465 HD13 LEU 465 15.871 1.360 6.253
150 HD21 LEU 465 HD21 LEU 465 12.851 2.798 5.017
151 HD22 LEU 465 HD22 LEU 465 14.412 2.174 4.486
152 HD23 LEU 465 HD23 LEU 465 14.331 3.348 5.800
153 H GLY 466 HN GLY 466 11.117 -1.733 5.002
154 HA2 GLY 466 HA2 GLY 466 8.607 -1.516 6.273
155 HA3 GLY 466 HA1 GLY 466 8.957 -2.516 4.867
156 H TYR 467 HN TYR 467 11.106 -3.424 7.184
157 HA TYR 467 HA TYR 467 9.533 -5.799 7.840
158 HB2 TYR 467 HB2 TYR 467 11.606 -6.574 7.276
159 HB3 TYR 467 HB1 TYR 467 12.416 -5.094 7.787
160 HD1 TYR 467 HD1 TYR 467 10.474 -7.965 9.221
161 HD2 TYR 467 HD2 TYR 467 13.633 -5.108 9.785
162 HE1 TYR 467 HE1 TYR 467 11.055 -9.034 11.382
163 HE2 TYR 467 HE2 TYR 467 14.213 -6.178 11.945
164 HH TYR 467 HH TYR 467 13.607 -8.988 12.826
165 H LEU 468 HN LEU 468 11.188 -3.115 9.452
166 HA LEU 468 HA LEU 468 10.593 -4.030 12.100
167 HB2 LEU 468 HB2 LEU 468 11.592 -1.426 10.958
168 HB3 LEU 468 HB1 LEU 468 11.226 -1.604 12.674
169 HG LEU 468 HG LEU 468 12.854 -3.795 11.567
170 HD11 LEU 468 HD11 LEU 468 14.926 -2.447 11.495
171 HD12 LEU 468 HD12 LEU 468 13.975 -0.982 11.741
172 HD13 LEU 468 HD13 LEU 468 13.779 -1.925 10.263
173 HD21 LEU 468 HD21 LEU 468 13.437 -1.929 13.873
174 HD22 LEU 468 HD22 LEU 468 13.953 -3.604 13.670
175 HD23 LEU 468 HD23 LEU 468 12.262 -3.236 14.009
176 H LEU 469 HN LEU 469 9.530 -0.999 10.549
177 HA LEU 469 HA LEU 469 7.433 -0.408 12.227
178 HB2 LEU 469 HB2 LEU 469 6.468 0.880 10.356
179 HB3 LEU 469 HB1 LEU 469 8.208 1.130 10.494
180 HG LEU 469 HG LEU 469 8.054 -1.062 8.823
181 HD11 LEU 469 HD11 LEU 469 6.396 -0.470 7.100
182 HD12 LEU 469 HD12 LEU 469 5.841 0.880 8.092
183 HD13 LEU 469 HD13 LEU 469 5.602 -0.777 8.644
184 HD21 LEU 469 HD21 LEU 469 9.570 0.732 8.400
185 HD22 LEU 469 HD22 LEU 469 8.260 1.907 8.281
186 HD23 LEU 469 HD23 LEU 469 8.485 0.706 7.011
187 H ASP 470 HN ASP 470 7.678 -3.092 10.188
188 HA ASP 470 HA ASP 470 4.757 -3.463 10.074
189 HB2 ASP 470 HB2 ASP 470 6.042 -3.724 7.964
190 HB3 ASP 470 HB1 ASP 470 6.943 -5.046 8.706
191 H LYS 471 HN LYS 471 7.748 -5.127 11.047
192 HA LYS 471 HA LYS 471 6.134 -7.061 12.576
193 HB2 LYS 471 HB2 LYS 471 9.100 -7.145 11.986
194 HB3 LYS 471 HB1 LYS 471 8.103 -8.448 12.631
195 HG2 LYS 471 HG2 LYS 471 7.785 -7.178 9.894
196 HG3 LYS 471 HG1 LYS 471 8.500 -8.758 10.214
197 HD2 LYS 471 HD2 LYS 471 6.223 -9.217 11.453
198 HD3 LYS 471 HD1 LYS 471 5.633 -7.899 10.440
199 HE2 LYS 471 HE2 LYS 471 6.887 -9.269 8.536
200 HE3 LYS 471 HE1 LYS 471 6.606 -10.612 9.645
201 HZ1 LYS 471 HZ1 LYS 471 4.818 -9.744 7.860
202 HZ2 LYS 471 HZ2 LYS 471 4.338 -8.862 9.230
203 HZ3 LYS 471 HZ3 LYS 471 4.408 -10.558 9.290
204 H LYS 472 HN LYS 472 6.878 -4.175 13.277
205 HA LYS 472 HA LYS 472 7.667 -4.772 16.031
206 HB2 LYS 472 HB2 LYS 472 9.752 -4.207 14.709
207 HB3 LYS 472 HB1 LYS 472 9.065 -2.602 14.460
208 HG2 LYS 472 HG2 LYS 472 10.002 -2.038 16.438
209 HG3 LYS 472 HG1 LYS 472 8.754 -3.030 17.192
210 HD2 LYS 472 HD2 LYS 472 10.245 -5.014 16.982
211 HD3 LYS 472 HD1 LYS 472 11.506 -3.964 16.329
212 HE2 LYS 472 HE2 LYS 472 11.479 -2.636 18.408
213 HE3 LYS 472 HE1 LYS 472 10.220 -3.683 19.063
214 HZ1 LYS 472 HZ1 LYS 472 12.007 -5.501 18.384
215 HZ2 LYS 472 HZ2 LYS 472 12.013 -4.740 19.902
216 HZ3 LYS 472 HZ3 LYS 472 13.061 -4.205 18.678
217 HN1 NH2 473 H1 NH2 473 5.114 -4.139 15.605
218 HN2 NH2 473 H2 NH2 473 4.783 -2.507 15.932
Start of MODEL 32
1 H1 ACE 446 HA2 ACE 446 19.124 0.218 -21.435
2 H2 ACE 446 HA3 ACE 446 20.567 1.042 -20.840
3 H3 ACE 446 HA1 ACE 446 19.275 1.968 -21.604
4 H LYS 447 HN LYS 447 17.409 -0.017 -20.091
5 HA LYS 447 HA LYS 447 17.295 1.599 -17.633
6 HB2 LYS 447 HB2 LYS 447 15.276 1.506 -19.091
7 HB3 LYS 447 HB1 LYS 447 15.193 -0.234 -18.809
8 HG2 LYS 447 HG2 LYS 447 14.878 0.098 -16.435
9 HG3 LYS 447 HG1 LYS 447 15.169 1.830 -16.592
10 HD2 LYS 447 HD2 LYS 447 12.752 1.355 -16.436
11 HD3 LYS 447 HD1 LYS 447 13.160 2.042 -18.008
12 HE2 LYS 447 HE2 LYS 447 12.878 0.015 -19.121
13 HE3 LYS 447 HE1 LYS 447 13.169 -0.939 -17.667
14 HZ1 LYS 447 HZ1 LYS 447 10.727 -0.218 -18.713
15 HZ2 LYS 447 HZ2 LYS 447 10.918 0.756 -17.335
16 HZ3 LYS 447 HZ3 LYS 447 11.016 -0.935 -17.204
17 H ASP 448 HN ASP 448 17.051 -1.779 -18.734
18 HA ASP 448 HA ASP 448 16.872 -3.014 -16.239
19 HB2 ASP 448 HB2 ASP 448 17.598 -3.816 -18.967
20 HB3 ASP 448 HB1 ASP 448 18.365 -4.787 -17.713
21 H GLN 449 HN GLN 449 19.434 -1.228 -17.551
22 HA GLN 449 HA GLN 449 21.511 -2.591 -16.016
23 HB2 GLN 449 HB2 GLN 449 21.448 -0.426 -18.074
24 HB3 GLN 449 HB1 GLN 449 22.822 -0.497 -16.970
25 HG2 GLN 449 HG2 GLN 449 21.913 -3.024 -18.294
26 HG3 GLN 449 HG1 GLN 449 22.850 -1.866 -19.237
27 HE21 GLN 449 HE21 GLN 449 24.662 -3.450 -19.258
28 HE22 GLN 449 HE22 GLN 449 25.637 -3.638 -17.881
29 H PHE 450 HN PHE 450 19.266 -0.056 -15.624
30 HA PHE 450 HA PHE 450 20.849 1.343 -13.606
31 HB2 PHE 450 HB2 PHE 450 19.601 3.068 -14.302
32 HB3 PHE 450 HB1 PHE 450 18.613 1.994 -15.292
33 HD1 PHE 450 HD2 PHE 450 16.581 0.930 -14.359
34 HD2 PHE 450 HD1 PHE 450 18.887 3.761 -12.098
35 HE1 PHE 450 HE2 PHE 450 14.698 1.192 -12.768
36 HE2 PHE 450 HE1 PHE 450 17.002 4.023 -10.507
37 HZ PHE 450 HZ PHE 450 14.908 2.740 -10.842
38 H ILE 451 HN ILE 451 18.317 -1.025 -13.847
39 HA ILE 451 HA ILE 451 17.226 -0.785 -11.248
40 HB ILE 451 HB ILE 451 17.311 -2.955 -13.318
41 HG12 ILE 451 HG12 ILE 451 14.913 -1.822 -11.893
42 HG13 ILE 451 HG11 ILE 451 15.700 -0.893 -13.169
43 HG21 ILE 451 HG21 ILE 451 17.479 -4.322 -11.405
44 HG22 ILE 451 HG22 ILE 451 15.739 -4.193 -11.657
45 HG23 ILE 451 HG23 ILE 451 16.525 -3.215 -10.418
46 HD11 ILE 451 HD11 ILE 451 13.747 -2.683 -13.674
47 HD12 ILE 451 HD12 ILE 451 15.145 -3.754 -13.765
48 HD13 ILE 451 HD13 ILE 451 15.044 -2.344 -14.820
49 H ILE 452 HN ILE 452 19.437 -3.323 -12.455
50 HA ILE 452 HA ILE 452 20.124 -4.450 -10.034
51 HB ILE 452 HB ILE 452 22.179 -5.217 -11.112
52 HG12 ILE 452 HG12 ILE 452 22.099 -4.146 -13.678
53 HG13 ILE 452 HG11 ILE 452 21.764 -2.756 -12.645
54 HG21 ILE 452 HG21 ILE 452 19.571 -5.620 -12.032
55 HG22 ILE 452 HG22 ILE 452 20.975 -6.620 -12.410
56 HG23 ILE 452 HG23 ILE 452 20.502 -5.313 -13.497
57 HD11 ILE 452 HD11 ILE 452 24.111 -4.654 -12.347
58 HD12 ILE 452 HD12 ILE 452 23.767 -3.283 -11.294
59 HD13 ILE 452 HD13 ILE 452 24.188 -3.012 -12.985
60 H ALA 453 HN ALA 453 21.077 -1.388 -11.351
61 HA ALA 453 HA ALA 453 23.303 -1.006 -9.542
62 HB1 ALA 453 HB1 ALA 453 22.781 1.480 -10.451
63 HB2 ALA 453 HB2 ALA 453 21.997 0.532 -11.715
64 HB3 ALA 453 HB3 ALA 453 23.711 0.297 -11.369
65 H TYR 454 HN TYR 454 19.894 -0.192 -9.678
66 HA TYR 454 HA TYR 454 20.092 0.855 -6.926
67 HB2 TYR 454 HB2 TYR 454 18.611 2.049 -9.265
68 HB3 TYR 454 HB1 TYR 454 18.201 2.433 -7.593
69 HD1 TYR 454 HD2 TYR 454 20.151 3.195 -6.050
70 HD2 TYR 454 HD1 TYR 454 20.343 3.208 -10.342
71 HE1 TYR 454 HE2 TYR 454 22.024 4.821 -5.963
72 HE2 TYR 454 HE1 TYR 454 22.216 4.834 -10.253
73 HH TYR 454 HH TYR 454 24.093 5.347 -7.897
74 H GLY 455 HN GLY 455 17.539 0.147 -9.322
75 HA2 GLY 455 HA2 GLY 455 15.522 -0.627 -7.644
76 HA3 GLY 455 HA1 GLY 455 15.769 -1.340 -9.235
77 H GLY 456 HN GLY 456 18.534 -2.176 -8.025
78 HA2 GLY 456 HA2 GLY 456 17.823 -4.866 -7.470
79 HA3 GLY 456 HA1 GLY 456 19.413 -4.149 -7.228
80 H LEU 457 HN LEU 457 18.425 -2.063 -5.429
81 HA LEU 457 HA LEU 457 18.516 -3.586 -2.981
82 HB2 LEU 457 HB2 LEU 457 18.657 -1.461 -1.865
83 HB3 LEU 457 HB1 LEU 457 19.672 -1.376 -3.304
84 HG LEU 457 HG LEU 457 17.219 -0.548 -4.266
85 HD11 LEU 457 HD11 LEU 457 17.626 0.610 -1.488
86 HD12 LEU 457 HD12 LEU 457 16.310 -0.462 -1.964
87 HD13 LEU 457 HD13 LEU 457 16.427 1.153 -2.660
88 HD21 LEU 457 HD21 LEU 457 19.423 0.464 -4.725
89 HD22 LEU 457 HD22 LEU 457 19.454 1.140 -3.097
90 HD23 LEU 457 HD23 LEU 457 18.252 1.699 -4.261
91 H ARG 458 HN ARG 458 16.066 -2.147 -4.954
92 HA ARG 458 HA ARG 458 14.043 -1.767 -3.024
93 HB2 ARG 458 HB2 ARG 458 14.251 -1.825 -5.933
94 HB3 ARG 458 HB1 ARG 458 12.735 -2.521 -5.368
95 HG2 ARG 458 HG2 ARG 458 12.382 -0.154 -5.681
96 HG3 ARG 458 HG1 ARG 458 12.407 -0.454 -3.946
97 HD2 ARG 458 HD2 ARG 458 14.960 0.078 -4.143
98 HD3 ARG 458 HD1 ARG 458 14.518 0.814 -5.679
99 HE ARG 458 HE ARG 458 13.421 2.516 -4.506
100 HH11 ARG 458 HH21 ARG 458 14.378 -0.087 -2.434
101 HH12 ARG 458 HH22 ARG 458 14.048 0.776 -0.970
102 HH21 ARG 458 HH11 ARG 458 12.987 3.653 -2.587
103 HH22 ARG 458 HH12 ARG 458 13.261 2.892 -1.056
104 H GLY 459 HN GLY 459 15.620 -4.542 -3.726
105 HA2 GLY 459 HA2 GLY 459 13.670 -6.515 -4.052
106 HA3 GLY 459 HA1 GLY 459 15.221 -6.758 -3.253
107 H ALA 460 HN ALA 460 14.063 -4.379 -1.480
108 HA ALA 460 HA ALA 460 12.823 -6.209 0.466
109 HB1 ALA 460 HB1 ALA 460 13.586 -3.448 1.247
110 HB2 ALA 460 HB2 ALA 460 14.903 -4.550 0.850
111 HB3 ALA 460 HB3 ALA 460 13.765 -4.962 2.133
112 H ILE 461 HN ILE 461 12.067 -3.741 -1.724
113 HA ILE 461 HA ILE 461 9.764 -2.754 -0.229
114 HB ILE 461 HB ILE 461 11.062 -2.045 -2.841
115 HG12 ILE 461 HG12 ILE 461 11.203 0.142 -1.806
116 HG13 ILE 461 HG11 ILE 461 10.157 -0.367 -0.482
117 HG21 ILE 461 HG21 ILE 461 8.817 -1.976 -3.541
118 HG22 ILE 461 HG22 ILE 461 9.100 -0.334 -2.964
119 HG23 ILE 461 HG23 ILE 461 8.239 -1.489 -1.947
120 HD11 ILE 461 HD11 ILE 461 12.754 -1.790 -1.063
121 HD12 ILE 461 HD12 ILE 461 11.806 -1.800 0.425
122 HD13 ILE 461 HD13 ILE 461 12.702 -0.354 -0.041
123 H ALA 462 HN ALA 462 10.513 -4.872 -2.930
124 HA ALA 462 HA ALA 462 7.779 -5.197 -3.765
125 HB1 ALA 462 HB1 ALA 462 10.268 -6.810 -4.366
126 HB2 ALA 462 HB2 ALA 462 9.574 -5.535 -5.368
127 HB3 ALA 462 HB3 ALA 462 8.704 -7.052 -5.143
128 H PHE 463 HN PHE 463 9.901 -6.710 -1.456
129 HA PHE 463 HA PHE 463 8.263 -9.073 -1.126
130 HB2 PHE 463 HB2 PHE 463 10.247 -9.777 -0.342
131 HB3 PHE 463 HB1 PHE 463 10.849 -8.126 -0.200
132 HD1 PHE 463 HD2 PHE 463 9.048 -10.848 1.519
133 HD2 PHE 463 HD1 PHE 463 10.641 -6.876 1.876
134 HE1 PHE 463 HE2 PHE 463 8.769 -10.957 3.982
135 HE2 PHE 463 HE1 PHE 463 10.360 -6.984 4.339
136 HZ PHE 463 HZ PHE 463 9.425 -9.026 5.391
137 H SER 464 HN SER 464 8.968 -6.155 0.796
138 HA SER 464 HA SER 464 7.339 -6.689 2.988
139 HB2 SER 464 HB2 SER 464 8.939 -4.780 2.798
140 HB3 SER 464 HB1 SER 464 7.796 -3.978 1.723
141 HG SER 464 HG SER 464 6.655 -4.915 4.024
142 H LEU 465 HN LEU 465 6.516 -5.432 -0.194
143 HA LEU 465 HA LEU 465 3.795 -4.790 0.510
144 HB2 LEU 465 HB2 LEU 465 5.497 -4.652 -1.897
145 HB3 LEU 465 HB1 LEU 465 3.787 -4.956 -2.210
146 HG LEU 465 HG LEU 465 3.153 -2.992 -0.917
147 HD11 LEU 465 HD11 LEU 465 5.377 -1.539 -0.350
148 HD12 LEU 465 HD12 LEU 465 5.993 -3.170 -0.082
149 HD13 LEU 465 HD13 LEU 465 4.588 -2.601 0.819
150 HD21 LEU 465 HD21 LEU 465 5.405 -2.462 -2.882
151 HD22 LEU 465 HD22 LEU 465 4.285 -1.230 -2.301
152 HD23 LEU 465 HD23 LEU 465 3.686 -2.584 -3.259
153 H GLY 466 HN GLY 466 5.416 -7.412 -1.259
154 HA2 GLY 466 HA2 GLY 466 2.949 -8.850 -1.709
155 HA3 GLY 466 HA1 GLY 466 4.573 -9.411 -2.088
156 H TYR 467 HN TYR 467 4.701 -8.335 1.012
157 HA TYR 467 HA TYR 467 4.586 -11.055 2.068
158 HB2 TYR 467 HB2 TYR 467 6.476 -10.077 2.933
159 HB3 TYR 467 HB1 TYR 467 5.766 -8.464 2.945
160 HD1 TYR 467 HD2 TYR 467 5.447 -11.817 4.584
161 HD2 TYR 467 HD1 TYR 467 4.935 -7.568 4.950
162 HE1 TYR 467 HE2 TYR 467 4.860 -12.093 6.978
163 HE2 TYR 467 HE1 TYR 467 4.350 -7.843 7.343
164 HH TYR 467 HH TYR 467 5.021 -9.938 9.168
165 H LEU 468 HN LEU 468 2.982 -7.934 2.478
166 HA LEU 468 HA LEU 468 1.400 -8.639 4.716
167 HB2 LEU 468 HB2 LEU 468 0.826 -6.618 2.535
168 HB3 LEU 468 HB1 LEU 468 0.039 -6.690 4.111
169 HG LEU 468 HG LEU 468 3.027 -6.568 4.038
170 HD11 LEU 468 HD11 LEU 468 1.155 -4.265 3.453
171 HD12 LEU 468 HD12 LEU 468 2.518 -4.820 2.481
172 HD13 LEU 468 HD13 LEU 468 2.806 -4.039 4.037
173 HD21 LEU 468 HD21 LEU 468 2.776 -5.728 6.185
174 HD22 LEU 468 HD22 LEU 468 1.324 -6.724 6.072
175 HD23 LEU 468 HD23 LEU 468 1.220 -4.981 5.822
176 H LEU 469 HN LEU 469 0.054 -7.962 1.501
177 HA LEU 469 HA LEU 469 -2.330 -9.291 1.774
178 HB2 LEU 469 HB2 LEU 469 -2.366 -9.480 -0.686
179 HB3 LEU 469 HB1 LEU 469 -1.793 -7.893 -0.169
180 HG LEU 469 HG LEU 469 0.538 -9.371 -0.261
181 HD11 LEU 469 HD11 LEU 469 0.554 -10.668 -2.263
182 HD12 LEU 469 HD12 LEU 469 -1.032 -10.066 -2.750
183 HD13 LEU 469 HD13 LEU 469 -0.889 -11.176 -1.386
184 HD21 LEU 469 HD21 LEU 469 0.849 -8.140 -2.484
185 HD22 LEU 469 HD22 LEU 469 0.414 -7.135 -1.102
186 HD23 LEU 469 HD23 LEU 469 -0.812 -7.576 -2.290
187 H ASP 470 HN ASP 470 0.789 -10.667 1.631
188 HA ASP 470 HA ASP 470 -0.035 -13.258 0.645
189 HB2 ASP 470 HB2 ASP 470 2.196 -12.903 0.163
190 HB3 ASP 470 HB1 ASP 470 2.500 -12.061 1.681
191 H LYS 471 HN LYS 471 0.621 -11.762 3.776
192 HA LYS 471 HA LYS 471 -0.145 -14.265 5.130
193 HB2 LYS 471 HB2 LYS 471 1.187 -11.759 6.184
194 HB3 LYS 471 HB1 LYS 471 0.764 -13.163 7.166
195 HG2 LYS 471 HG2 LYS 471 2.181 -14.094 4.865
196 HG3 LYS 471 HG1 LYS 471 3.103 -12.767 5.573
197 HD2 LYS 471 HD2 LYS 471 3.064 -13.850 7.759
198 HD3 LYS 471 HD1 LYS 471 2.034 -15.137 7.133
199 HE2 LYS 471 HE2 LYS 471 4.703 -14.555 5.861
200 HE3 LYS 471 HE1 LYS 471 4.591 -15.584 7.291
201 HZ1 LYS 471 HZ1 LYS 471 3.203 -17.092 6.161
202 HZ2 LYS 471 HZ2 LYS 471 4.475 -16.750 5.088
203 HZ3 LYS 471 HZ3 LYS 471 2.952 -16.028 4.864
204 H LYS 472 HN LYS 472 -0.688 -10.752 5.484
205 HA LYS 472 HA LYS 472 -3.149 -11.231 6.952
206 HB2 LYS 472 HB2 LYS 472 -1.841 -8.661 6.027
207 HB3 LYS 472 HB1 LYS 472 -3.255 -8.760 7.076
208 HG2 LYS 472 HG2 LYS 472 -0.842 -10.327 7.871
209 HG3 LYS 472 HG1 LYS 472 -0.782 -8.576 8.078
210 HD2 LYS 472 HD2 LYS 472 -2.792 -8.612 9.438
211 HD3 LYS 472 HD1 LYS 472 -3.021 -10.332 9.123
212 HE2 LYS 472 HE2 LYS 472 -0.358 -9.865 10.138
213 HE3 LYS 472 HE1 LYS 472 -1.551 -9.169 11.236
214 HZ1 LYS 472 HZ1 LYS 472 -1.233 -11.427 11.845
215 HZ2 LYS 472 HZ2 LYS 472 -1.428 -11.962 10.244
216 HZ3 LYS 472 HZ3 LYS 472 -2.752 -11.327 11.098
217 HN1 NH2 473 H1 NH2 473 -5.072 -9.629 6.147
218 HN2 NH2 473 H2 NH2 473 -5.462 -9.811 4.506
Start of MODEL 33
1 H1 ACE 446 HA2 ACE 446 18.202 0.765 -21.636
2 H2 ACE 446 HA3 ACE 446 19.733 0.889 -20.768
3 H3 ACE 446 HA1 ACE 446 18.923 2.347 -21.341
4 H LYS 447 HN LYS 447 17.777 -0.531 -19.566
5 HA LYS 447 HA LYS 447 17.034 1.203 -17.305
6 HB2 LYS 447 HB2 LYS 447 15.146 -0.851 -18.470
7 HB3 LYS 447 HB1 LYS 447 14.809 0.327 -17.199
8 HG2 LYS 447 HG2 LYS 447 15.503 2.082 -19.027
9 HG3 LYS 447 HG1 LYS 447 15.132 0.773 -20.151
10 HD2 LYS 447 HD2 LYS 447 13.263 1.955 -18.077
11 HD3 LYS 447 HD1 LYS 447 13.128 2.113 -19.829
12 HE2 LYS 447 HE2 LYS 447 12.785 -0.384 -18.158
13 HE3 LYS 447 HE1 LYS 447 11.608 0.376 -19.230
14 HZ1 LYS 447 HZ1 LYS 447 13.622 -0.058 -20.916
15 HZ2 LYS 447 HZ2 LYS 447 12.352 -1.160 -20.669
16 HZ3 LYS 447 HZ3 LYS 447 13.834 -1.372 -19.865
17 H ASP 448 HN ASP 448 17.577 -2.033 -18.593
18 HA ASP 448 HA ASP 448 17.360 -3.467 -16.170
19 HB2 ASP 448 HB2 ASP 448 18.230 -3.979 -18.882
20 HB3 ASP 448 HB1 ASP 448 19.302 -4.763 -17.722
21 H GLN 449 HN GLN 449 19.887 -1.481 -17.504
22 HA GLN 449 HA GLN 449 21.870 -2.438 -15.586
23 HB2 GLN 449 HB2 GLN 449 21.883 -0.705 -17.997
24 HB3 GLN 449 HB1 GLN 449 23.075 -0.333 -16.751
25 HG2 GLN 449 HG2 GLN 449 22.659 -3.145 -17.770
26 HG3 GLN 449 HG1 GLN 449 23.776 -2.027 -18.551
27 HE21 GLN 449 HE21 GLN 449 23.792 -4.499 -16.379
28 HE22 GLN 449 HE22 GLN 449 25.093 -4.023 -15.399
29 H PHE 450 HN PHE 450 19.414 -0.101 -15.750
30 HA PHE 450 HA PHE 450 20.696 1.743 -13.883
31 HB2 PHE 450 HB2 PHE 450 17.971 1.736 -15.198
32 HB3 PHE 450 HB1 PHE 450 18.523 2.981 -14.077
33 HD1 PHE 450 HD1 PHE 450 19.382 1.286 -17.294
34 HD2 PHE 450 HD2 PHE 450 19.884 4.762 -14.819
35 HE1 PHE 450 HE1 PHE 450 20.564 2.434 -19.147
36 HE2 PHE 450 HE2 PHE 450 21.066 5.910 -16.674
37 HZ PHE 450 HZ PHE 450 21.406 4.747 -18.837
38 H ILE 451 HN ILE 451 18.065 -0.622 -13.968
39 HA ILE 451 HA ILE 451 17.203 -0.128 -11.279
40 HB ILE 451 HB ILE 451 16.723 -2.442 -13.167
41 HG12 ILE 451 HG12 ILE 451 14.593 -0.565 -12.273
42 HG13 ILE 451 HG11 ILE 451 15.803 0.091 -13.377
43 HG21 ILE 451 HG21 ILE 451 16.052 -2.023 -10.316
44 HG22 ILE 451 HG22 ILE 451 16.141 -3.521 -11.243
45 HG23 ILE 451 HG23 ILE 451 14.698 -2.511 -11.335
46 HD11 ILE 451 HD11 ILE 451 13.861 -0.883 -14.589
47 HD12 ILE 451 HD12 ILE 451 14.217 -2.448 -13.858
48 HD13 ILE 451 HD13 ILE 451 15.368 -1.712 -14.973
49 H ILE 452 HN ILE 452 18.985 -2.827 -12.794
50 HA ILE 452 HA ILE 452 19.560 -4.256 -10.469
51 HB ILE 452 HB ILE 452 19.992 -4.833 -12.977
52 HG12 ILE 452 HG12 ILE 452 21.939 -5.582 -10.772
53 HG13 ILE 452 HG11 ILE 452 20.400 -6.375 -11.107
54 HG21 ILE 452 HG21 ILE 452 21.655 -2.815 -13.037
55 HG22 ILE 452 HG22 ILE 452 22.101 -4.311 -13.859
56 HG23 ILE 452 HG23 ILE 452 22.778 -3.939 -12.274
57 HD11 ILE 452 HD11 ILE 452 22.990 -6.647 -12.483
58 HD12 ILE 452 HD12 ILE 452 21.614 -6.447 -13.571
59 HD13 ILE 452 HD13 ILE 452 21.634 -7.772 -12.405
60 H ALA 453 HN ALA 453 20.581 -1.167 -11.318
61 HA ALA 453 HA ALA 453 23.120 -1.301 -9.884
62 HB1 ALA 453 HB1 ALA 453 21.991 0.394 -11.890
63 HB2 ALA 453 HB2 ALA 453 23.638 0.388 -11.259
64 HB3 ALA 453 HB3 ALA 453 22.401 1.382 -10.488
65 H TYR 454 HN TYR 454 19.834 -0.174 -9.441
66 HA TYR 454 HA TYR 454 20.461 0.387 -6.621
67 HB2 TYR 454 HB2 TYR 454 18.770 2.211 -8.343
68 HB3 TYR 454 HB1 TYR 454 19.189 2.446 -6.646
69 HD1 TYR 454 HD2 TYR 454 21.719 2.549 -6.060
70 HD2 TYR 454 HD1 TYR 454 20.159 3.081 -10.027
71 HE1 TYR 454 HE2 TYR 454 23.816 3.690 -6.732
72 HE2 TYR 454 HE1 TYR 454 22.255 4.223 -10.698
73 HH TYR 454 HH TYR 454 24.109 5.376 -9.735
74 H GLY 455 HN GLY 455 17.578 0.782 -8.676
75 HA2 GLY 455 HA2 GLY 455 15.628 -0.010 -6.965
76 HA3 GLY 455 HA1 GLY 455 15.571 -0.380 -8.686
77 H GLY 456 HN GLY 456 18.061 -2.040 -8.399
78 HA2 GLY 456 HA2 GLY 456 16.716 -4.472 -7.419
79 HA3 GLY 456 HA1 GLY 456 18.053 -4.429 -8.564
80 H LEU 457 HN LEU 457 19.835 -2.761 -7.275
81 HA LEU 457 HA LEU 457 20.899 -4.544 -5.274
82 HB2 LEU 457 HB2 LEU 457 22.470 -3.530 -6.776
83 HB3 LEU 457 HB1 LEU 457 21.856 -1.916 -6.425
84 HG LEU 457 HG LEU 457 22.734 -1.984 -4.182
85 HD11 LEU 457 HD11 LEU 457 24.075 -4.101 -3.524
86 HD12 LEU 457 HD12 LEU 457 23.168 -4.905 -4.805
87 HD13 LEU 457 HD13 LEU 457 22.316 -4.189 -3.436
88 HD21 LEU 457 HD21 LEU 457 24.338 -1.532 -6.065
89 HD22 LEU 457 HD22 LEU 457 24.812 -3.229 -6.004
90 HD23 LEU 457 HD23 LEU 457 25.110 -2.179 -4.619
91 H ARG 458 HN ARG 458 20.635 -1.001 -5.094
92 HA ARG 458 HA ARG 458 19.799 0.379 -3.448
93 HB2 ARG 458 HB2 ARG 458 18.049 -1.707 -3.391
94 HB3 ARG 458 HB1 ARG 458 18.710 -1.782 -1.758
95 HG2 ARG 458 HG2 ARG 458 16.903 -0.286 -1.540
96 HG3 ARG 458 HG1 ARG 458 18.296 0.782 -1.702
97 HD2 ARG 458 HD2 ARG 458 17.068 1.755 -3.350
98 HD3 ARG 458 HD1 ARG 458 17.628 0.399 -4.323
99 HE ARG 458 HE ARG 458 15.485 -0.528 -4.199
100 HH11 ARG 458 HH21 ARG 458 15.866 2.154 -2.045
101 HH12 ARG 458 HH22 ARG 458 14.178 2.275 -1.677
102 HH21 ARG 458 HH11 ARG 458 13.269 -0.375 -3.721
103 HH22 ARG 458 HH12 ARG 458 12.708 0.844 -2.626
104 H GLY 459 HN GLY 459 21.282 -2.657 -2.433
105 HA2 GLY 459 HA2 GLY 459 23.233 -2.867 -1.141
106 HA3 GLY 459 HA1 GLY 459 23.077 -1.177 -0.669
107 H ALA 460 HN ALA 460 20.071 -2.243 -0.267
108 HA ALA 460 HA ALA 460 20.533 -3.263 2.473
109 HB1 ALA 460 HB1 ALA 460 18.455 -1.267 1.551
110 HB2 ALA 460 HB2 ALA 460 19.821 -0.943 2.619
111 HB3 ALA 460 HB3 ALA 460 18.510 -1.992 3.158
112 H ILE 461 HN ILE 461 18.806 -3.482 -0.508
113 HA ILE 461 HA ILE 461 16.849 -5.365 0.575
114 HB ILE 461 HB ILE 461 17.236 -3.979 -2.059
115 HG12 ILE 461 HG12 ILE 461 14.964 -3.253 -1.646
116 HG13 ILE 461 HG11 ILE 461 14.796 -4.384 -0.302
117 HG21 ILE 461 HG21 ILE 461 16.794 -6.141 -2.877
118 HG22 ILE 461 HG22 ILE 461 15.189 -5.423 -2.761
119 HG23 ILE 461 HG23 ILE 461 15.746 -6.541 -1.517
120 HD11 ILE 461 HD11 ILE 461 15.315 -1.909 0.263
121 HD12 ILE 461 HD12 ILE 461 16.947 -2.272 -0.293
122 HD13 ILE 461 HD13 ILE 461 16.266 -3.152 1.075
123 H ALA 462 HN ALA 462 19.372 -5.316 -1.944
124 HA ALA 462 HA ALA 462 19.320 -7.921 -2.788
125 HB1 ALA 462 HB1 ALA 462 21.808 -7.685 -3.123
126 HB2 ALA 462 HB2 ALA 462 21.709 -6.140 -2.279
127 HB3 ALA 462 HB3 ALA 462 20.847 -6.371 -3.800
128 H PHE 463 HN PHE 463 20.793 -6.658 0.171
129 HA PHE 463 HA PHE 463 21.966 -9.139 0.969
130 HB2 PHE 463 HB2 PHE 463 22.988 -7.649 2.303
131 HB3 PHE 463 HB1 PHE 463 21.735 -6.440 2.024
132 HD1 PHE 463 HD2 PHE 463 19.733 -6.338 3.452
133 HD2 PHE 463 HD1 PHE 463 22.877 -9.167 4.197
134 HE1 PHE 463 HE2 PHE 463 18.815 -6.761 5.717
135 HE2 PHE 463 HE1 PHE 463 21.959 -9.592 6.462
136 HZ PHE 463 HZ PHE 463 19.928 -8.388 7.222
137 H SER 464 HN SER 464 18.866 -7.568 1.532
138 HA SER 464 HA SER 464 17.969 -9.405 3.529
139 HB2 SER 464 HB2 SER 464 15.858 -8.312 3.342
140 HB3 SER 464 HB1 SER 464 17.080 -7.061 3.132
141 HG SER 464 HG SER 464 16.750 -7.143 0.932
142 H LEU 465 HN LEU 465 18.502 -9.742 0.247
143 HA LEU 465 HA LEU 465 16.299 -11.600 -0.231
144 HB2 LEU 465 HB2 LEU 465 18.245 -10.129 -1.871
145 HB3 LEU 465 HB1 LEU 465 17.961 -11.780 -2.418
146 HG LEU 465 HG LEU 465 16.400 -10.088 -3.435
147 HD11 LEU 465 HD11 LEU 465 15.031 -11.856 -3.661
148 HD12 LEU 465 HD12 LEU 465 14.396 -11.582 -2.039
149 HD13 LEU 465 HD13 LEU 465 15.797 -12.626 -2.272
150 HD21 LEU 465 HD21 LEU 465 15.111 -8.710 -2.161
151 HD22 LEU 465 HD22 LEU 465 16.292 -9.058 -0.897
152 HD23 LEU 465 HD23 LEU 465 14.781 -9.967 -0.968
153 H GLY 466 HN GLY 466 19.866 -11.695 -0.359
154 HA2 GLY 466 HA2 GLY 466 19.904 -14.581 -0.443
155 HA3 GLY 466 HA1 GLY 466 21.304 -13.518 -0.338
156 H TYR 467 HN TYR 467 19.849 -12.171 2.012
157 HA TYR 467 HA TYR 467 21.254 -13.269 4.113
158 HB2 TYR 467 HB2 TYR 467 20.346 -11.287 4.777
159 HB3 TYR 467 HB1 TYR 467 18.857 -11.547 3.869
160 HD1 TYR 467 HD1 TYR 467 20.728 -12.798 6.860
161 HD2 TYR 467 HD2 TYR 467 16.907 -12.235 4.982
162 HE1 TYR 467 HE1 TYR 467 19.597 -13.558 8.934
163 HE2 TYR 467 HE2 TYR 467 15.775 -12.993 7.053
164 HH TYR 467 HH TYR 467 16.680 -12.971 9.755
165 H LEU 468 HN LEU 468 18.238 -14.336 2.711
166 HA LEU 468 HA LEU 468 17.542 -16.107 4.861
167 HB2 LEU 468 HB2 LEU 468 16.561 -15.964 2.002
168 HB3 LEU 468 HB1 LEU 468 15.851 -16.971 3.266
169 HG LEU 468 HG LEU 468 16.099 -14.338 4.321
170 HD11 LEU 468 HD11 LEU 468 16.220 -13.511 2.024
171 HD12 LEU 468 HD12 LEU 468 14.642 -13.116 2.707
172 HD13 LEU 468 HD13 LEU 468 14.804 -14.463 1.580
173 HD21 LEU 468 HD21 LEU 468 13.641 -14.531 4.462
174 HD22 LEU 468 HD22 LEU 468 14.416 -16.042 4.938
175 HD23 LEU 468 HD23 LEU 468 13.682 -15.893 3.342
176 H LEU 469 HN LEU 469 18.276 -16.892 1.458
177 HA LEU 469 HA LEU 469 18.900 -19.588 1.952
178 HB2 LEU 469 HB2 LEU 469 19.835 -19.611 -0.294
179 HB3 LEU 469 HB1 LEU 469 18.352 -18.654 -0.286
180 HG LEU 469 HG LEU 469 20.276 -16.772 0.328
181 HD11 LEU 469 HD11 LEU 469 22.156 -17.084 -1.099
182 HD12 LEU 469 HD12 LEU 469 21.402 -18.449 -1.921
183 HD13 LEU 469 HD13 LEU 469 21.962 -18.620 -0.257
184 HD21 LEU 469 HD21 LEU 469 19.014 -17.628 -2.287
185 HD22 LEU 469 HD22 LEU 469 20.011 -16.177 -2.158
186 HD23 LEU 469 HD23 LEU 469 18.521 -16.311 -1.221
187 H ASP 470 HN ASP 470 20.576 -16.866 2.897
188 HA ASP 470 HA ASP 470 23.224 -18.122 2.716
189 HB2 ASP 470 HB2 ASP 470 23.078 -15.759 2.105
190 HB3 ASP 470 HB1 ASP 470 22.386 -15.378 3.681
191 H LYS 471 HN LYS 471 20.765 -17.179 5.039
192 HA LYS 471 HA LYS 471 22.430 -18.229 7.240
193 HB2 LYS 471 HB2 LYS 471 19.911 -16.550 7.345
194 HB3 LYS 471 HB1 LYS 471 20.876 -17.050 8.733
195 HG2 LYS 471 HG2 LYS 471 21.892 -15.351 6.432
196 HG3 LYS 471 HG1 LYS 471 21.410 -14.728 8.009
197 HD2 LYS 471 HD2 LYS 471 23.144 -16.550 8.876
198 HD3 LYS 471 HD1 LYS 471 23.819 -16.339 7.260
199 HE2 LYS 471 HE2 LYS 471 23.332 -14.150 9.301
200 HE3 LYS 471 HE1 LYS 471 24.901 -14.777 8.792
201 HZ1 LYS 471 HZ1 LYS 471 23.171 -12.888 7.489
202 HZ2 LYS 471 HZ2 LYS 471 23.709 -14.121 6.453
203 HZ3 LYS 471 HZ3 LYS 471 24.834 -13.156 7.283
204 H LYS 472 HN LYS 472 19.103 -18.325 5.963
205 HA LYS 472 HA LYS 472 18.318 -20.514 7.641
206 HB2 LYS 472 HB2 LYS 472 17.108 -18.936 5.436
207 HB3 LYS 472 HB1 LYS 472 16.476 -20.564 5.677
208 HG2 LYS 472 HG2 LYS 472 16.846 -18.732 8.035
209 HG3 LYS 472 HG1 LYS 472 15.412 -18.583 7.017
210 HD2 LYS 472 HD2 LYS 472 16.134 -21.340 7.863
211 HD3 LYS 472 HD1 LYS 472 15.538 -20.266 9.129
212 HE2 LYS 472 HE2 LYS 472 13.780 -21.632 7.831
213 HE3 LYS 472 HE1 LYS 472 13.480 -19.903 8.009
214 HZ1 LYS 472 HZ1 LYS 472 13.117 -20.587 5.740
215 HZ2 LYS 472 HZ2 LYS 472 14.683 -21.241 5.645
216 HZ3 LYS 472 HZ3 LYS 472 14.468 -19.565 5.815
217 HN1 NH2 473 H1 NH2 473 17.801 -20.835 4.161
218 HN2 NH2 473 H2 NH2 473 18.675 -22.279 3.989
Start of MODEL 34
1 H1 ACE 446 HA2 ACE 446 20.976 0.438 -21.147
2 H2 ACE 446 HA3 ACE 446 19.643 1.020 -22.146
3 H3 ACE 446 HA1 ACE 446 19.684 -0.665 -21.625
4 H LYS 447 HN LYS 447 17.815 -0.742 -20.436
5 HA LYS 447 HA LYS 447 17.447 1.237 -18.285
6 HB2 LYS 447 HB2 LYS 447 15.570 0.780 -19.903
7 HB3 LYS 447 HB1 LYS 447 15.487 -0.854 -19.246
8 HG2 LYS 447 HG2 LYS 447 15.140 0.116 -16.973
9 HG3 LYS 447 HG1 LYS 447 15.107 1.725 -17.697
10 HD2 LYS 447 HD2 LYS 447 12.844 1.271 -17.703
11 HD3 LYS 447 HD1 LYS 447 13.278 0.578 -19.266
12 HE2 LYS 447 HE2 LYS 447 13.756 -1.585 -17.820
13 HE3 LYS 447 HE1 LYS 447 12.645 -0.814 -16.687
14 HZ1 LYS 447 HZ1 LYS 447 11.165 -1.919 -17.980
15 HZ2 LYS 447 HZ2 LYS 447 12.140 -1.857 -19.371
16 HZ3 LYS 447 HZ3 LYS 447 11.263 -0.487 -18.883
17 H ASP 448 HN ASP 448 17.545 -2.261 -18.886
18 HA ASP 448 HA ASP 448 17.126 -3.145 -16.263
19 HB2 ASP 448 HB2 ASP 448 17.996 -5.236 -16.972
20 HB3 ASP 448 HB1 ASP 448 17.243 -4.536 -18.402
21 H GLN 449 HN GLN 449 19.724 -1.389 -17.562
22 HA GLN 449 HA GLN 449 21.694 -2.357 -15.643
23 HB2 GLN 449 HB2 GLN 449 21.706 -0.457 -17.954
24 HB3 GLN 449 HB1 GLN 449 22.958 -0.297 -16.719
25 HG2 GLN 449 HG2 GLN 449 22.315 -2.967 -17.973
26 HG3 GLN 449 HG1 GLN 449 23.464 -1.853 -18.715
27 HE21 GLN 449 HE21 GLN 449 25.376 -1.209 -17.335
28 HE22 GLN 449 HE22 GLN 449 25.927 -2.291 -16.149
29 H PHE 450 HN PHE 450 19.154 -0.168 -15.651
30 HA PHE 450 HA PHE 450 20.406 1.737 -13.823
31 HB2 PHE 450 HB2 PHE 450 18.156 1.764 -15.613
32 HB3 PHE 450 HB1 PHE 450 17.625 2.199 -13.989
33 HD1 PHE 450 HD2 PHE 450 19.023 3.962 -12.711
34 HD2 PHE 450 HD1 PHE 450 19.282 3.338 -16.952
35 HE1 PHE 450 HE2 PHE 450 20.029 6.212 -12.981
36 HE2 PHE 450 HE1 PHE 450 20.288 5.588 -17.222
37 HZ PHE 450 HZ PHE 450 20.662 7.026 -15.236
38 H ILE 451 HN ILE 451 17.742 -0.617 -13.828
39 HA ILE 451 HA ILE 451 17.026 -0.278 -11.111
40 HB ILE 451 HB ILE 451 16.676 -2.665 -12.940
41 HG12 ILE 451 HG12 ILE 451 14.249 -1.308 -12.417
42 HG13 ILE 451 HG11 ILE 451 15.433 -0.058 -12.800
43 HG21 ILE 451 HG21 ILE 451 16.361 -3.492 -10.747
44 HG22 ILE 451 HG22 ILE 451 14.734 -3.069 -11.279
45 HG23 ILE 451 HG23 ILE 451 15.615 -1.991 -10.197
46 HD11 ILE 451 HD11 ILE 451 14.909 -2.528 -14.481
47 HD12 ILE 451 HD12 ILE 451 16.038 -1.228 -14.869
48 HD13 ILE 451 HD13 ILE 451 14.303 -0.911 -14.840
49 H ILE 452 HN ILE 452 18.897 -2.895 -12.670
50 HA ILE 452 HA ILE 452 19.643 -4.330 -10.451
51 HB ILE 452 HB ILE 452 20.209 -4.924 -12.804
52 HG12 ILE 452 HG12 ILE 452 22.668 -4.808 -11.036
53 HG13 ILE 452 HG11 ILE 452 21.341 -5.939 -10.770
54 HG21 ILE 452 HG21 ILE 452 21.044 -2.582 -13.342
55 HG22 ILE 452 HG22 ILE 452 22.074 -3.895 -13.910
56 HG23 ILE 452 HG23 ILE 452 22.516 -2.993 -12.461
57 HD11 ILE 452 HD11 ILE 452 21.668 -6.917 -12.975
58 HD12 ILE 452 HD12 ILE 452 23.207 -6.927 -12.112
59 HD13 ILE 452 HD13 ILE 452 22.902 -5.717 -13.359
60 H ALA 453 HN ALA 453 20.816 -1.213 -11.508
61 HA ALA 453 HA ALA 453 23.110 -1.132 -9.794
62 HB1 ALA 453 HB1 ALA 453 23.357 1.109 -10.496
63 HB2 ALA 453 HB2 ALA 453 21.635 1.279 -10.840
64 HB3 ALA 453 HB3 ALA 453 22.651 0.290 -11.889
65 H TYR 454 HN TYR 454 19.730 -0.214 -9.501
66 HA TYR 454 HA TYR 454 20.073 1.193 -7.011
67 HB2 TYR 454 HB2 TYR 454 17.795 0.403 -8.751
68 HB3 TYR 454 HB1 TYR 454 17.444 0.677 -7.045
69 HD1 TYR 454 HD1 TYR 454 19.769 2.270 -9.527
70 HD2 TYR 454 HD2 TYR 454 16.596 2.824 -6.683
71 HE1 TYR 454 HE1 TYR 454 19.854 4.718 -9.909
72 HE2 TYR 454 HE2 TYR 454 16.682 5.271 -7.066
73 HH TYR 454 HH TYR 454 17.692 6.931 -8.128
74 H GLY 455 HN GLY 455 18.542 -1.909 -7.899
75 HA2 GLY 455 HA2 GLY 455 19.423 -3.794 -6.391
76 HA3 GLY 455 HA1 GLY 455 18.815 -2.776 -5.089
77 H GLY 456 HN GLY 456 17.288 -3.199 -8.244
78 HA2 GLY 456 HA2 GLY 456 15.085 -3.745 -8.729
79 HA3 GLY 456 HA1 GLY 456 15.522 -5.232 -7.892
80 H LEU 457 HN LEU 457 15.482 -2.147 -6.253
81 HA LEU 457 HA LEU 457 13.557 -3.138 -4.338
82 HB2 LEU 457 HB2 LEU 457 13.940 -1.004 -3.193
83 HB3 LEU 457 HB1 LEU 457 15.472 -1.761 -3.625
84 HG LEU 457 HG LEU 457 14.843 -0.251 -5.870
85 HD11 LEU 457 HD11 LEU 457 14.217 1.334 -3.361
86 HD12 LEU 457 HD12 LEU 457 13.042 0.867 -4.589
87 HD13 LEU 457 HD13 LEU 457 14.338 1.993 -4.991
88 HD21 LEU 457 HD21 LEU 457 17.076 -0.426 -5.006
89 HD22 LEU 457 HD22 LEU 457 16.605 0.289 -3.465
90 HD23 LEU 457 HD23 LEU 457 16.650 1.283 -4.920
91 H ARG 458 HN ARG 458 13.538 -1.092 -7.146
92 HA ARG 458 HA ARG 458 11.372 0.551 -6.805
93 HB2 ARG 458 HB2 ARG 458 12.495 -0.909 -9.148
94 HB3 ARG 458 HB1 ARG 458 10.904 -0.173 -9.333
95 HG2 ARG 458 HG2 ARG 458 12.689 1.397 -9.998
96 HG3 ARG 458 HG1 ARG 458 11.814 1.997 -8.588
97 HD2 ARG 458 HD2 ARG 458 13.567 1.311 -7.102
98 HD3 ARG 458 HD1 ARG 458 14.373 0.395 -8.375
99 HE ARG 458 HE ARG 458 15.390 2.366 -9.025
100 HH11 ARG 458 HH21 ARG 458 12.489 3.028 -7.259
101 HH12 ARG 458 HH22 ARG 458 12.712 4.745 -7.266
102 HH21 ARG 458 HH11 ARG 458 15.690 4.617 -9.038
103 HH22 ARG 458 HH12 ARG 458 14.524 5.645 -8.272
104 H GLY 459 HN GLY 459 11.401 -2.862 -6.733
105 HA2 GLY 459 HA2 GLY 459 9.019 -3.760 -7.671
106 HA3 GLY 459 HA1 GLY 459 9.695 -4.319 -6.142
107 H ALA 460 HN ALA 460 9.515 -1.681 -4.887
108 HA ALA 460 HA ALA 460 6.927 -1.898 -3.758
109 HB1 ALA 460 HB1 ALA 460 8.786 -0.940 -2.502
110 HB2 ALA 460 HB2 ALA 460 7.485 0.242 -2.637
111 HB3 ALA 460 HB3 ALA 460 8.914 0.382 -3.661
112 H ILE 461 HN ILE 461 8.268 0.868 -5.571
113 HA ILE 461 HA ILE 461 5.834 2.144 -6.048
114 HB ILE 461 HB ILE 461 8.492 2.170 -7.447
115 HG12 ILE 461 HG12 ILE 461 8.476 4.497 -6.627
116 HG13 ILE 461 HG11 ILE 461 6.846 4.266 -5.991
117 HG21 ILE 461 HG21 ILE 461 5.888 3.376 -8.359
118 HG22 ILE 461 HG22 ILE 461 7.115 2.542 -9.314
119 HG23 ILE 461 HG23 ILE 461 7.418 4.176 -8.720
120 HD11 ILE 461 HD11 ILE 461 9.152 2.497 -5.162
121 HD12 ILE 461 HD12 ILE 461 7.589 2.693 -4.367
122 HD13 ILE 461 HD13 ILE 461 8.773 3.998 -4.317
123 H ALA 462 HN ALA 462 7.616 -0.143 -8.114
124 HA ALA 462 HA ALA 462 6.032 -0.225 -10.343
125 HB1 ALA 462 HB1 ALA 462 7.148 -2.133 -10.867
126 HB2 ALA 462 HB2 ALA 462 6.794 -2.888 -9.313
127 HB3 ALA 462 HB3 ALA 462 8.109 -1.720 -9.448
128 H PHE 463 HN PHE 463 5.367 -1.640 -7.187
129 HA PHE 463 HA PHE 463 2.906 -2.882 -8.155
130 HB2 PHE 463 HB2 PHE 463 3.549 -4.332 -6.555
131 HB3 PHE 463 HB1 PHE 463 4.646 -3.161 -5.822
132 HD1 PHE 463 HD1 PHE 463 1.156 -4.382 -5.927
133 HD2 PHE 463 HD2 PHE 463 3.935 -1.723 -4.013
134 HE1 PHE 463 HE1 PHE 463 -0.478 -3.987 -4.105
135 HE2 PHE 463 HE2 PHE 463 2.301 -1.329 -2.189
136 HZ PHE 463 HZ PHE 463 0.095 -2.459 -2.235
137 H SER 464 HN SER 464 3.981 -0.044 -6.465
138 HA SER 464 HA SER 464 1.539 0.651 -5.204
139 HB2 SER 464 HB2 SER 464 3.904 1.618 -4.820
140 HB3 SER 464 HB1 SER 464 3.550 2.661 -6.195
141 HG SER 464 HG SER 464 2.956 3.553 -4.127
142 H LEU 465 HN LEU 465 2.847 1.225 -8.423
143 HA LEU 465 HA LEU 465 0.578 2.918 -9.147
144 HB2 LEU 465 HB2 LEU 465 1.724 3.263 -11.241
145 HB3 LEU 465 HB1 LEU 465 2.904 3.421 -9.941
146 HG LEU 465 HG LEU 465 3.003 0.720 -10.489
147 HD11 LEU 465 HD11 LEU 465 2.949 2.117 -13.167
148 HD12 LEU 465 HD12 LEU 465 1.524 1.305 -12.519
149 HD13 LEU 465 HD13 LEU 465 2.994 0.386 -12.842
150 HD21 LEU 465 HD21 LEU 465 5.113 1.387 -11.783
151 HD22 LEU 465 HD22 LEU 465 4.981 2.014 -10.139
152 HD23 LEU 465 HD23 LEU 465 4.625 3.060 -11.513
153 H GLY 466 HN GLY 466 1.618 -0.373 -9.408
154 HA2 GLY 466 HA2 GLY 466 -0.316 -1.001 -11.508
155 HA3 GLY 466 HA1 GLY 466 0.838 -2.117 -10.786
156 H TYR 467 HN TYR 467 -0.527 -0.451 -8.294
157 HA TYR 467 HA TYR 467 -2.271 -2.696 -7.625
158 HB2 TYR 467 HB2 TYR 467 -1.033 -2.169 -5.752
159 HB3 TYR 467 HB1 TYR 467 -1.011 -0.445 -6.120
160 HD1 TYR 467 HD2 TYR 467 -3.224 -3.229 -4.998
161 HD2 TYR 467 HD1 TYR 467 -2.635 1.021 -5.206
162 HE1 TYR 467 HE2 TYR 467 -5.170 -2.886 -3.499
163 HE2 TYR 467 HE1 TYR 467 -4.581 1.365 -3.709
164 HH TYR 467 HH TYR 467 -5.936 -1.059 -1.874
165 H LEU 468 HN LEU 468 -2.465 0.790 -8.204
166 HA LEU 468 HA LEU 468 -5.154 1.162 -7.479
167 HB2 LEU 468 HB2 LEU 468 -3.569 2.630 -9.599
168 HB3 LEU 468 HB1 LEU 468 -5.051 3.200 -8.834
169 HG LEU 468 HG LEU 468 -2.756 2.425 -7.074
170 HD11 LEU 468 HD11 LEU 468 -1.590 3.805 -8.629
171 HD12 LEU 468 HD12 LEU 468 -1.994 4.853 -7.268
172 HD13 LEU 468 HD13 LEU 468 -2.943 4.931 -8.753
173 HD21 LEU 468 HD21 LEU 468 -3.702 4.236 -5.696
174 HD22 LEU 468 HD22 LEU 468 -4.952 3.071 -6.134
175 HD23 LEU 468 HD23 LEU 468 -4.852 4.617 -6.977
176 H LEU 469 HN LEU 469 -3.934 1.107 -10.837
177 HA LEU 469 HA LEU 469 -6.360 0.771 -12.108
178 HB2 LEU 469 HB2 LEU 469 -4.535 -0.810 -13.573
179 HB3 LEU 469 HB1 LEU 469 -4.989 0.866 -13.874
180 HG LEU 469 HG LEU 469 -2.837 0.097 -11.884
181 HD11 LEU 469 HD11 LEU 469 -2.217 -0.721 -14.129
182 HD12 LEU 469 HD12 LEU 469 -1.217 0.651 -13.653
183 HD13 LEU 469 HD13 LEU 469 -2.537 0.878 -14.799
184 HD21 LEU 469 HD21 LEU 469 -2.505 2.356 -11.664
185 HD22 LEU 469 HD22 LEU 469 -4.172 2.457 -12.230
186 HD23 LEU 469 HD23 LEU 469 -2.841 2.667 -13.366
187 H ASP 470 HN ASP 470 -4.609 -1.499 -10.210
188 HA ASP 470 HA ASP 470 -5.864 -3.856 -11.294
189 HB2 ASP 470 HB2 ASP 470 -3.854 -3.234 -9.275
190 HB3 ASP 470 HB1 ASP 470 -4.956 -4.507 -8.755
191 H LYS 471 HN LYS 471 -6.395 -1.685 -8.570
192 HA LYS 471 HA LYS 471 -8.869 -3.165 -7.905
193 HB2 LYS 471 HB2 LYS 471 -7.216 -1.304 -6.181
194 HB3 LYS 471 HB1 LYS 471 -8.696 -2.124 -5.680
195 HG2 LYS 471 HG2 LYS 471 -7.079 -4.150 -6.753
196 HG3 LYS 471 HG1 LYS 471 -5.983 -3.154 -5.795
197 HD2 LYS 471 HD2 LYS 471 -7.490 -3.333 -3.859
198 HD3 LYS 471 HD1 LYS 471 -8.613 -4.304 -4.813
199 HE2 LYS 471 HE2 LYS 471 -5.741 -5.055 -4.189
200 HE3 LYS 471 HE1 LYS 471 -7.165 -5.731 -3.401
201 HZ1 LYS 471 HZ1 LYS 471 -7.320 -7.184 -5.043
202 HZ2 LYS 471 HZ2 LYS 471 -5.988 -6.490 -5.835
203 HZ3 LYS 471 HZ3 LYS 471 -7.557 -5.923 -6.150
204 H LYS 472 HN LYS 472 -7.705 0.168 -7.403
205 HA LYS 472 HA LYS 472 -10.321 1.267 -7.796
206 HB2 LYS 472 HB2 LYS 472 -7.614 2.616 -7.665
207 HB3 LYS 472 HB1 LYS 472 -9.170 3.445 -7.609
208 HG2 LYS 472 HG2 LYS 472 -8.955 1.232 -5.689
209 HG3 LYS 472 HG1 LYS 472 -7.791 2.526 -5.404
210 HD2 LYS 472 HD2 LYS 472 -9.562 4.182 -5.331
211 HD3 LYS 472 HD1 LYS 472 -10.762 2.977 -5.802
212 HE2 LYS 472 HE2 LYS 472 -9.252 2.097 -3.481
213 HE3 LYS 472 HE1 LYS 472 -10.020 3.656 -3.186
214 HZ1 LYS 472 HZ1 LYS 472 -11.240 1.233 -3.043
215 HZ2 LYS 472 HZ2 LYS 472 -11.726 1.813 -4.564
216 HZ3 LYS 472 HZ3 LYS 472 -12.028 2.729 -3.167
217 HN1 NH2 473 H1 NH2 473 -8.141 0.085 -10.053
218 HN2 NH2 473 H2 NH2 473 -8.604 1.034 -11.383
Start of MODEL 35
1 H1 ACE 446 HA2 ACE 446 21.354 0.961 -19.701
2 H2 ACE 446 HA3 ACE 446 20.773 2.401 -20.539
3 H3 ACE 446 HA1 ACE 446 20.234 0.802 -21.055
4 H LYS 447 HN LYS 447 18.404 -0.008 -20.182
5 HA LYS 447 HA LYS 447 17.101 1.562 -18.064
6 HB2 LYS 447 HB2 LYS 447 16.117 0.700 -20.455
7 HB3 LYS 447 HB1 LYS 447 15.603 -0.611 -19.399
8 HG2 LYS 447 HG2 LYS 447 15.078 2.338 -18.888
9 HG3 LYS 447 HG1 LYS 447 13.903 1.208 -19.552
10 HD2 LYS 447 HD2 LYS 447 15.228 0.940 -16.832
11 HD3 LYS 447 HD1 LYS 447 13.591 1.526 -17.112
12 HE2 LYS 447 HE2 LYS 447 13.386 -0.778 -18.445
13 HE3 LYS 447 HE1 LYS 447 14.675 -1.248 -17.338
14 HZ1 LYS 447 HZ1 LYS 447 12.071 -1.344 -16.741
15 HZ2 LYS 447 HZ2 LYS 447 12.478 0.184 -16.120
16 HZ3 LYS 447 HZ3 LYS 447 13.305 -1.202 -15.586
17 H ASP 448 HN ASP 448 17.461 -1.864 -19.013
18 HA ASP 448 HA ASP 448 16.712 -2.869 -16.455
19 HB2 ASP 448 HB2 ASP 448 16.421 -4.421 -18.166
20 HB3 ASP 448 HB1 ASP 448 17.974 -4.042 -18.910
21 H GLN 449 HN GLN 449 19.564 -1.439 -17.614
22 HA GLN 449 HA GLN 449 21.324 -2.815 -15.737
23 HB2 GLN 449 HB2 GLN 449 21.750 -0.682 -17.826
24 HB3 GLN 449 HB1 GLN 449 23.012 -1.135 -16.680
25 HG2 GLN 449 HG2 GLN 449 21.568 -3.197 -18.345
26 HG3 GLN 449 HG1 GLN 449 22.999 -2.361 -18.944
27 HE21 GLN 449 HE21 GLN 449 22.318 -5.259 -17.766
28 HE22 GLN 449 HE22 GLN 449 23.658 -5.544 -16.765
29 H PHE 450 HN PHE 450 19.227 -0.163 -15.739
30 HA PHE 450 HA PHE 450 20.721 1.407 -13.799
31 HB2 PHE 450 HB2 PHE 450 19.481 3.028 -14.725
32 HB3 PHE 450 HB1 PHE 450 18.483 1.843 -15.569
33 HD1 PHE 450 HD2 PHE 450 18.929 3.647 -12.347
34 HD2 PHE 450 HD1 PHE 450 16.319 1.237 -14.762
35 HE1 PHE 450 HE2 PHE 450 17.060 4.102 -10.781
36 HE2 PHE 450 HE1 PHE 450 14.451 1.693 -13.197
37 HZ PHE 450 HZ PHE 450 14.820 3.124 -11.208
38 H ILE 451 HN ILE 451 18.439 -1.150 -13.814
39 HA ILE 451 HA ILE 451 17.304 -0.611 -11.217
40 HB ILE 451 HB ILE 451 17.203 -2.934 -13.129
41 HG12 ILE 451 HG12 ILE 451 14.945 -1.355 -11.887
42 HG13 ILE 451 HG11 ILE 451 15.798 -0.768 -13.315
43 HG21 ILE 451 HG21 ILE 451 17.169 -4.139 -11.127
44 HG22 ILE 451 HG22 ILE 451 15.458 -3.771 -11.346
45 HG23 ILE 451 HG23 ILE 451 16.431 -2.815 -10.226
46 HD11 ILE 451 HD11 ILE 451 15.151 -2.659 -14.608
47 HD12 ILE 451 HD12 ILE 451 13.693 -2.163 -13.749
48 HD13 ILE 451 HD13 ILE 451 14.623 -3.549 -13.179
49 H ILE 452 HN ILE 452 19.470 -3.166 -12.464
50 HA ILE 452 HA ILE 452 20.127 -4.324 -10.015
51 HB ILE 452 HB ILE 452 22.101 -5.217 -11.142
52 HG12 ILE 452 HG12 ILE 452 21.450 -3.078 -13.191
53 HG13 ILE 452 HG11 ILE 452 22.937 -3.247 -12.257
54 HG21 ILE 452 HG21 ILE 452 20.160 -5.152 -13.391
55 HG22 ILE 452 HG22 ILE 452 19.526 -5.689 -11.834
56 HG23 ILE 452 HG23 ILE 452 20.887 -6.533 -12.573
57 HD11 ILE 452 HD11 ILE 452 22.913 -5.669 -13.413
58 HD12 ILE 452 HD12 ILE 452 23.639 -4.265 -14.197
59 HD13 ILE 452 HD13 ILE 452 22.011 -4.779 -14.640
60 H ALA 453 HN ALA 453 20.852 -1.221 -11.141
61 HA ALA 453 HA ALA 453 23.314 -0.931 -9.601
62 HB1 ALA 453 HB1 ALA 453 23.205 1.431 -10.411
63 HB2 ALA 453 HB2 ALA 453 21.697 1.039 -11.235
64 HB3 ALA 453 HB3 ALA 453 23.197 0.245 -11.716
65 H TYR 454 HN TYR 454 19.918 -0.445 -9.228
66 HA TYR 454 HA TYR 454 20.343 0.482 -6.494
67 HB2 TYR 454 HB2 TYR 454 18.595 2.037 -8.416
68 HB3 TYR 454 HB1 TYR 454 18.869 2.400 -6.712
69 HD1 TYR 454 HD1 TYR 454 21.312 2.819 -5.965
70 HD2 TYR 454 HD2 TYR 454 20.027 2.915 -10.062
71 HE1 TYR 454 HE1 TYR 454 23.332 4.125 -6.566
72 HE2 TYR 454 HE2 TYR 454 22.048 4.222 -10.665
73 HH TYR 454 HH TYR 454 24.436 5.160 -8.184
74 H GLY 455 HN GLY 455 17.639 0.298 -8.822
75 HA2 GLY 455 HA2 GLY 455 15.632 -0.503 -7.135
76 HA3 GLY 455 HA1 GLY 455 15.738 -1.016 -8.817
77 H GLY 456 HN GLY 456 18.383 -2.342 -8.169
78 HA2 GLY 456 HA2 GLY 456 17.218 -4.854 -7.178
79 HA3 GLY 456 HA1 GLY 456 18.709 -4.700 -8.104
80 H LEU 457 HN LEU 457 19.739 -2.498 -6.497
81 HA LEU 457 HA LEU 457 20.864 -4.082 -4.342
82 HB2 LEU 457 HB2 LEU 457 22.416 -2.734 -5.575
83 HB3 LEU 457 HB1 LEU 457 21.420 -1.294 -5.374
84 HG LEU 457 HG LEU 457 21.891 -1.200 -3.013
85 HD11 LEU 457 HD11 LEU 457 23.519 -2.988 -2.082
86 HD12 LEU 457 HD12 LEU 457 23.043 -3.951 -3.479
87 HD13 LEU 457 HD13 LEU 457 21.834 -3.455 -2.295
88 HD21 LEU 457 HD21 LEU 457 24.484 -1.956 -4.383
89 HD22 LEU 457 HD22 LEU 457 24.274 -0.839 -3.034
90 HD23 LEU 457 HD23 LEU 457 23.667 -0.414 -4.634
91 H ARG 458 HN ARG 458 19.752 -0.698 -4.336
92 HA ARG 458 HA ARG 458 18.324 0.419 -2.907
93 HB2 ARG 458 HB2 ARG 458 17.185 -2.031 -2.983
94 HB3 ARG 458 HB1 ARG 458 17.653 -1.965 -1.284
95 HG2 ARG 458 HG2 ARG 458 15.523 -0.982 -1.259
96 HG3 ARG 458 HG1 ARG 458 16.591 0.419 -1.333
97 HD2 ARG 458 HD2 ARG 458 16.309 -0.100 -3.981
98 HD3 ARG 458 HD1 ARG 458 14.751 -0.669 -3.388
99 HE ARG 458 HE ARG 458 15.685 2.078 -3.442
100 HH11 ARG 458 HH21 ARG 458 13.514 -0.250 -2.086
101 HH12 ARG 458 HH22 ARG 458 12.337 0.924 -1.602
102 HH21 ARG 458 HH11 ARG 458 14.145 3.624 -2.812
103 HH22 ARG 458 HH12 ARG 458 12.694 3.117 -2.013
104 H GLY 459 HN GLY 459 20.538 -1.984 -1.639
105 HA2 GLY 459 HA2 GLY 459 22.249 -1.609 -0.086
106 HA3 GLY 459 HA1 GLY 459 21.513 -0.063 0.322
107 H ALA 460 HN ALA 460 19.184 -2.472 0.245
108 HA ALA 460 HA ALA 460 19.540 -3.242 3.054
109 HB1 ALA 460 HB1 ALA 460 18.083 -1.617 3.662
110 HB2 ALA 460 HB2 ALA 460 16.863 -2.714 3.017
111 HB3 ALA 460 HB3 ALA 460 17.485 -1.402 2.016
112 H ILE 461 HN ILE 461 17.785 -3.592 0.017
113 HA ILE 461 HA ILE 461 16.468 -6.027 0.764
114 HB ILE 461 HB ILE 461 16.853 -4.502 -1.790
115 HG12 ILE 461 HG12 ILE 461 14.434 -4.389 -1.706
116 HG13 ILE 461 HG11 ILE 461 14.380 -5.565 -0.392
117 HG21 ILE 461 HG21 ILE 461 17.091 -6.676 -2.661
118 HG22 ILE 461 HG22 ILE 461 15.356 -6.385 -2.778
119 HG23 ILE 461 HG23 ILE 461 15.996 -7.373 -1.465
120 HD11 ILE 461 HD11 ILE 461 14.174 -3.053 0.223
121 HD12 ILE 461 HD12 ILE 461 15.907 -2.984 -0.095
122 HD13 ILE 461 HD13 ILE 461 15.284 -4.045 1.168
123 H ALA 462 HN ALA 462 19.477 -5.184 -0.852
124 HA ALA 462 HA ALA 462 20.097 -7.813 -1.765
125 HB1 ALA 462 HB1 ALA 462 22.301 -6.934 -2.219
126 HB2 ALA 462 HB2 ALA 462 22.016 -5.554 -1.159
127 HB3 ALA 462 HB3 ALA 462 21.114 -5.709 -2.667
128 H PHE 463 HN PHE 463 20.468 -6.135 1.258
129 HA PHE 463 HA PHE 463 22.314 -8.131 2.324
130 HB2 PHE 463 HB2 PHE 463 22.947 -6.316 3.487
131 HB3 PHE 463 HB1 PHE 463 21.489 -5.432 3.032
132 HD1 PHE 463 HD1 PHE 463 22.903 -7.876 5.442
133 HD2 PHE 463 HD2 PHE 463 19.589 -5.315 4.492
134 HE1 PHE 463 HE1 PHE 463 21.978 -8.228 7.717
135 HE2 PHE 463 HE2 PHE 463 18.664 -5.667 6.765
136 HZ PHE 463 HZ PHE 463 19.860 -7.124 8.377
137 H SER 464 HN SER 464 18.999 -6.975 2.905
138 HA SER 464 HA SER 464 18.337 -8.714 4.996
139 HB2 SER 464 HB2 SER 464 16.788 -7.005 4.634
140 HB3 SER 464 HB1 SER 464 16.737 -7.285 2.896
141 HG SER 464 HG SER 464 15.545 -8.735 4.995
142 H LEU 465 HN LEU 465 18.956 -9.376 1.712
143 HA LEU 465 HA LEU 465 17.360 -11.815 1.635
144 HB2 LEU 465 HB2 LEU 465 18.695 -10.106 -0.297
145 HB3 LEU 465 HB1 LEU 465 19.080 -11.805 -0.563
146 HG LEU 465 HG LEU 465 16.680 -12.362 -0.550
147 HD11 LEU 465 HD11 LEU 465 16.517 -9.674 0.540
148 HD12 LEU 465 HD12 LEU 465 15.295 -10.945 0.527
149 HD13 LEU 465 HD13 LEU 465 15.448 -9.855 -0.851
150 HD21 LEU 465 HD21 LEU 465 17.616 -11.861 -2.713
151 HD22 LEU 465 HD22 LEU 465 17.536 -10.126 -2.409
152 HD23 LEU 465 HD23 LEU 465 16.052 -11.051 -2.633
153 H GLY 466 HN GLY 466 20.814 -10.938 1.441
154 HA2 GLY 466 HA2 GLY 466 21.678 -13.676 1.679
155 HA3 GLY 466 HA1 GLY 466 22.709 -12.249 1.696
156 H TYR 467 HN TYR 467 20.330 -11.646 3.876
157 HA TYR 467 HA TYR 467 22.084 -12.293 6.118
158 HB2 TYR 467 HB2 TYR 467 21.298 -10.166 6.478
159 HB3 TYR 467 HB1 TYR 467 19.762 -10.481 5.668
160 HD1 TYR 467 HD1 TYR 467 21.713 -11.447 8.718
161 HD2 TYR 467 HD2 TYR 467 17.838 -10.902 6.945
162 HE1 TYR 467 HE1 TYR 467 20.647 -11.885 10.914
163 HE2 TYR 467 HE2 TYR 467 16.773 -11.341 9.140
164 HH TYR 467 HH TYR 467 17.950 -12.835 11.487
165 H LEU 468 HN LEU 468 18.868 -13.089 4.891
166 HA LEU 468 HA LEU 468 18.004 -14.608 7.117
167 HB2 LEU 468 HB2 LEU 468 17.213 -14.870 4.206
168 HB3 LEU 468 HB1 LEU 468 16.324 -15.525 5.582
169 HG LEU 468 HG LEU 468 16.977 -12.606 5.590
170 HD11 LEU 468 HD11 LEU 468 14.850 -13.927 3.892
171 HD12 LEU 468 HD12 LEU 468 16.129 -12.838 3.355
172 HD13 LEU 468 HD13 LEU 468 14.806 -12.222 4.347
173 HD21 LEU 468 HD21 LEU 468 15.180 -12.483 7.050
174 HD22 LEU 468 HD22 LEU 468 15.720 -14.131 7.367
175 HD23 LEU 468 HD23 LEU 468 14.345 -13.841 6.300
176 H LEU 469 HN LEU 469 18.660 -16.013 3.921
177 HA LEU 469 HA LEU 469 19.070 -18.612 4.700
178 HB2 LEU 469 HB2 LEU 469 20.408 -18.886 2.645
179 HB3 LEU 469 HB1 LEU 469 18.961 -17.921 2.350
180 HG LEU 469 HG LEU 469 20.817 -16.014 3.096
181 HD11 LEU 469 HD11 LEU 469 22.192 -17.973 1.237
182 HD12 LEU 469 HD12 LEU 469 22.567 -17.827 2.954
183 HD13 LEU 469 HD13 LEU 469 22.852 -16.466 1.868
184 HD21 LEU 469 HD21 LEU 469 19.304 -15.668 1.278
185 HD22 LEU 469 HD22 LEU 469 19.937 -17.056 0.393
186 HD23 LEU 469 HD23 LEU 469 20.917 -15.600 0.568
187 H ASP 470 HN ASP 470 21.046 -15.920 5.394
188 HA ASP 470 HA ASP 470 23.503 -17.408 5.763
189 HB2 ASP 470 HB2 ASP 470 23.976 -15.205 5.237
190 HB3 ASP 470 HB1 ASP 470 22.624 -14.579 6.178
191 H LYS 471 HN LYS 471 20.903 -16.126 7.783
192 HA LYS 471 HA LYS 471 22.160 -17.338 10.159
193 HB2 LYS 471 HB2 LYS 471 19.897 -15.341 9.912
194 HB3 LYS 471 HB1 LYS 471 20.513 -15.987 11.436
195 HG2 LYS 471 HG2 LYS 471 22.753 -15.080 9.928
196 HG3 LYS 471 HG1 LYS 471 21.540 -13.802 9.891
197 HD2 LYS 471 HD2 LYS 471 21.358 -13.866 12.335
198 HD3 LYS 471 HD1 LYS 471 22.520 -15.192 12.402
199 HE2 LYS 471 HE2 LYS 471 23.319 -12.683 10.979
200 HE3 LYS 471 HE1 LYS 471 23.307 -12.676 12.743
201 HZ1 LYS 471 HZ1 LYS 471 25.283 -13.669 11.114
202 HZ2 LYS 471 HZ2 LYS 471 24.501 -15.048 11.726
203 HZ3 LYS 471 HZ3 LYS 471 25.145 -13.891 12.790
204 H LYS 472 HN LYS 472 18.937 -17.005 8.656
205 HA LYS 472 HA LYS 472 17.449 -18.747 10.117
206 HB2 LYS 472 HB2 LYS 472 17.202 -17.548 7.611
207 HB3 LYS 472 HB1 LYS 472 17.030 -19.275 7.290
208 HG2 LYS 472 HG2 LYS 472 15.476 -17.694 9.361
209 HG3 LYS 472 HG1 LYS 472 14.843 -18.283 7.823
210 HD2 LYS 472 HD2 LYS 472 15.914 -20.573 8.898
211 HD3 LYS 472 HD1 LYS 472 15.322 -19.744 10.338
212 HE2 LYS 472 HE2 LYS 472 13.140 -19.380 9.030
213 HE3 LYS 472 HE1 LYS 472 13.757 -20.577 7.892
214 HZ1 LYS 472 HZ1 LYS 472 14.174 -21.718 10.321
215 HZ2 LYS 472 HZ2 LYS 472 12.890 -22.074 9.267
216 HZ3 LYS 472 HZ3 LYS 472 12.677 -20.946 10.520
217 HN1 NH2 473 H1 NH2 473 19.114 -19.927 7.133
218 HN2 NH2 473 H2 NH2 473 19.403 -21.483 7.747
Start of MODEL 36
1 H1 ACE 446 HA2 ACE 446 19.400 0.880 -21.757
2 H2 ACE 446 HA3 ACE 446 20.253 1.504 -20.345
3 H3 ACE 446 HA1 ACE 446 19.393 2.611 -21.415
4 H LYS 447 HN LYS 447 18.800 -0.282 -19.408
5 HA LYS 447 HA LYS 447 16.536 1.014 -18.142
6 HB2 LYS 447 HB2 LYS 447 15.795 -0.148 -20.379
7 HB3 LYS 447 HB1 LYS 447 15.957 -1.627 -19.437
8 HG2 LYS 447 HG2 LYS 447 13.691 -0.967 -19.148
9 HG3 LYS 447 HG1 LYS 447 14.504 -0.492 -17.660
10 HD2 LYS 447 HD2 LYS 447 14.759 1.691 -19.477
11 HD3 LYS 447 HD1 LYS 447 13.077 1.166 -19.519
12 HE2 LYS 447 HE2 LYS 447 12.932 1.321 -17.084
13 HE3 LYS 447 HE1 LYS 447 14.639 1.754 -16.988
14 HZ1 LYS 447 HZ1 LYS 447 13.523 3.776 -16.914
15 HZ2 LYS 447 HZ2 LYS 447 12.398 3.324 -18.103
16 HZ3 LYS 447 HZ3 LYS 447 14.007 3.657 -18.535
17 H ASP 448 HN ASP 448 17.565 -2.360 -18.670
18 HA ASP 448 HA ASP 448 17.200 -3.106 -15.957
19 HB2 ASP 448 HB2 ASP 448 18.662 -5.098 -16.680
20 HB3 ASP 448 HB1 ASP 448 17.129 -4.868 -17.519
21 H GLN 449 HN GLN 449 19.893 -1.761 -17.733
22 HA GLN 449 HA GLN 449 21.947 -2.405 -15.881
23 HB2 GLN 449 HB2 GLN 449 21.761 -0.099 -17.834
24 HB3 GLN 449 HB1 GLN 449 23.231 -0.638 -17.021
25 HG2 GLN 449 HG2 GLN 449 22.133 -2.960 -18.154
26 HG3 GLN 449 HG1 GLN 449 21.954 -1.718 -19.392
27 HE21 GLN 449 HE21 GLN 449 24.454 -2.936 -17.086
28 HE22 GLN 449 HE22 GLN 449 25.753 -2.698 -18.152
29 H PHE 450 HN PHE 450 19.372 -0.155 -15.793
30 HA PHE 450 HA PHE 450 20.680 1.583 -13.840
31 HB2 PHE 450 HB2 PHE 450 17.957 1.638 -15.151
32 HB3 PHE 450 HB1 PHE 450 18.451 2.776 -13.896
33 HD1 PHE 450 HD2 PHE 450 20.673 4.065 -14.281
34 HD2 PHE 450 HD1 PHE 450 18.508 2.052 -17.397
35 HE1 PHE 450 HE2 PHE 450 21.849 5.434 -15.983
36 HE2 PHE 450 HE1 PHE 450 19.682 3.421 -19.098
37 HZ PHE 450 HZ PHE 450 21.353 5.112 -18.391
38 H ILE 451 HN ILE 451 17.834 -0.552 -14.032
39 HA ILE 451 HA ILE 451 16.964 -0.334 -11.398
40 HB ILE 451 HB ILE 451 16.877 -2.685 -13.297
41 HG12 ILE 451 HG12 ILE 451 14.484 -1.120 -12.472
42 HG13 ILE 451 HG11 ILE 451 15.635 -0.298 -13.525
43 HG21 ILE 451 HG21 ILE 451 14.829 -3.115 -11.591
44 HG22 ILE 451 HG22 ILE 451 15.978 -2.366 -10.481
45 HG23 ILE 451 HG23 ILE 451 16.425 -3.827 -11.360
46 HD11 ILE 451 HD11 ILE 451 13.717 -1.720 -14.603
47 HD12 ILE 451 HD12 ILE 451 14.739 -3.093 -14.179
48 HD13 ILE 451 HD13 ILE 451 15.348 -1.840 -15.262
49 H ILE 452 HN ILE 452 18.976 -2.984 -12.709
50 HA ILE 452 HA ILE 452 19.632 -4.220 -10.329
51 HB ILE 452 HB ILE 452 21.653 -5.044 -11.481
52 HG12 ILE 452 HG12 ILE 452 21.479 -4.008 -14.042
53 HG13 ILE 452 HG11 ILE 452 21.190 -2.593 -13.031
54 HG21 ILE 452 HG21 ILE 452 20.230 -5.505 -13.772
55 HG22 ILE 452 HG22 ILE 452 18.945 -5.029 -12.662
56 HG23 ILE 452 HG23 ILE 452 19.993 -6.391 -12.265
57 HD11 ILE 452 HD11 ILE 452 23.242 -3.164 -11.722
58 HD12 ILE 452 HD12 ILE 452 23.586 -2.814 -13.416
59 HD13 ILE 452 HD13 ILE 452 23.554 -4.483 -12.850
60 H ALA 453 HN ALA 453 20.682 -1.160 -11.533
61 HA ALA 453 HA ALA 453 23.090 -0.903 -10.042
62 HB1 ALA 453 HB1 ALA 453 23.201 1.187 -10.939
63 HB2 ALA 453 HB2 ALA 453 21.507 1.539 -10.588
64 HB3 ALA 453 HB3 ALA 453 21.932 0.565 -11.996
65 H TYR 454 HN TYR 454 19.711 -0.072 -9.381
66 HA TYR 454 HA TYR 454 20.430 0.887 -6.706
67 HB2 TYR 454 HB2 TYR 454 17.862 0.918 -8.295
68 HB3 TYR 454 HB1 TYR 454 17.942 1.399 -6.601
69 HD1 TYR 454 HD1 TYR 454 19.054 2.208 -10.031
70 HD2 TYR 454 HD2 TYR 454 19.043 3.447 -5.918
71 HE1 TYR 454 HE1 TYR 454 19.869 4.451 -10.705
72 HE2 TYR 454 HE2 TYR 454 19.858 5.691 -6.591
73 HH TYR 454 HH TYR 454 20.476 6.992 -8.271
74 H GLY 455 HN GLY 455 19.533 -1.974 -8.238
75 HA2 GLY 455 HA2 GLY 455 19.150 -4.079 -7.361
76 HA3 GLY 455 HA1 GLY 455 19.290 -3.383 -5.749
77 H GLY 456 HN GLY 456 17.056 -2.934 -8.503
78 HA2 GLY 456 HA2 GLY 456 14.762 -3.165 -8.637
79 HA3 GLY 456 HA1 GLY 456 14.814 -4.037 -7.108
80 H LEU 457 HN LEU 457 16.083 -1.980 -5.581
81 HA LEU 457 HA LEU 457 14.031 -0.635 -4.426
82 HB2 LEU 457 HB2 LEU 457 16.206 -0.538 -3.431
83 HB3 LEU 457 HB1 LEU 457 16.885 0.272 -4.839
84 HG LEU 457 HG LEU 457 15.644 2.289 -4.376
85 HD11 LEU 457 HD11 LEU 457 14.205 2.281 -2.216
86 HD12 LEU 457 HD12 LEU 457 14.200 0.527 -2.396
87 HD13 LEU 457 HD13 LEU 457 13.515 1.545 -3.664
88 HD21 LEU 457 HD21 LEU 457 17.709 1.731 -2.986
89 HD22 LEU 457 HD22 LEU 457 16.602 1.278 -1.690
90 HD23 LEU 457 HD23 LEU 457 16.623 2.935 -2.291
91 H ARG 458 HN ARG 458 16.173 0.940 -6.817
92 HA ARG 458 HA ARG 458 15.703 2.461 -8.484
93 HB2 ARG 458 HB2 ARG 458 13.556 0.911 -8.625
94 HB3 ARG 458 HB1 ARG 458 12.765 2.341 -7.960
95 HG2 ARG 458 HG2 ARG 458 12.615 2.806 -10.227
96 HG3 ARG 458 HG1 ARG 458 14.152 3.583 -9.845
97 HD2 ARG 458 HD2 ARG 458 14.809 2.319 -11.661
98 HD3 ARG 458 HD1 ARG 458 15.105 1.156 -10.373
99 HE ARG 458 HE ARG 458 13.291 -0.100 -11.146
100 HH11 ARG 458 HH21 ARG 458 13.432 3.021 -12.634
101 HH12 ARG 458 HH22 ARG 458 12.232 2.657 -13.830
102 HH21 ARG 458 HH11 ARG 458 11.717 -0.585 -12.711
103 HH22 ARG 458 HH12 ARG 458 11.261 0.616 -13.873
104 H GLY 459 HN GLY 459 16.422 3.387 -6.024
105 HA2 GLY 459 HA2 GLY 459 14.907 5.084 -4.552
106 HA3 GLY 459 HA1 GLY 459 16.565 5.466 -5.002
107 H ALA 460 HN ALA 460 15.789 5.486 -7.897
108 HA ALA 460 HA ALA 460 15.528 8.177 -8.355
109 HB1 ALA 460 HB1 ALA 460 16.038 6.556 -10.126
110 HB2 ALA 460 HB2 ALA 460 14.691 7.593 -10.597
111 HB3 ALA 460 HB3 ALA 460 14.384 5.945 -10.050
112 H ILE 461 HN ILE 461 13.057 5.915 -7.436
113 HA ILE 461 HA ILE 461 10.907 7.807 -8.011
114 HB ILE 461 HB ILE 461 10.990 4.974 -6.992
115 HG12 ILE 461 HG12 ILE 461 9.669 4.564 -9.019
116 HG13 ILE 461 HG11 ILE 461 9.635 6.294 -9.367
117 HG21 ILE 461 HG21 ILE 461 8.378 5.341 -7.187
118 HG22 ILE 461 HG22 ILE 461 8.804 7.016 -6.835
119 HG23 ILE 461 HG23 ILE 461 9.225 5.740 -5.693
120 HD11 ILE 461 HD11 ILE 461 11.924 6.364 -9.887
121 HD12 ILE 461 HD12 ILE 461 11.419 4.818 -10.569
122 HD13 ILE 461 HD13 ILE 461 12.263 4.865 -9.022
123 H ALA 462 HN ALA 462 12.259 6.106 -5.187
124 HA ALA 462 HA ALA 462 10.733 7.185 -3.169
125 HB1 ALA 462 HB1 ALA 462 13.693 6.567 -3.194
126 HB2 ALA 462 HB2 ALA 462 12.384 5.505 -2.672
127 HB3 ALA 462 HB3 ALA 462 12.783 6.943 -1.730
128 H PHE 463 HN PHE 463 13.226 8.725 -5.066
129 HA PHE 463 HA PHE 463 13.276 11.083 -3.342
130 HB2 PHE 463 HB2 PHE 463 15.389 11.037 -4.123
131 HB3 PHE 463 HB1 PHE 463 14.962 9.963 -5.455
132 HD1 PHE 463 HD2 PHE 463 14.159 10.859 -7.598
133 HD2 PHE 463 HD1 PHE 463 15.313 13.458 -4.377
134 HE1 PHE 463 HE2 PHE 463 14.226 12.778 -9.168
135 HE2 PHE 463 HE1 PHE 463 15.382 15.375 -5.947
136 HZ PHE 463 HZ PHE 463 14.837 15.036 -8.343
137 H SER 464 HN SER 464 11.990 10.024 -6.430
138 HA SER 464 HA SER 464 11.284 12.546 -7.478
139 HB2 SER 464 HB2 SER 464 11.312 10.417 -8.778
140 HB3 SER 464 HB1 SER 464 9.865 9.909 -7.912
141 HG SER 464 HG SER 464 8.707 11.331 -8.994
142 H LEU 465 HN LEU 465 9.592 10.315 -5.317
143 HA LEU 465 HA LEU 465 7.246 12.039 -5.219
144 HB2 LEU 465 HB2 LEU 465 6.255 10.332 -3.849
145 HB3 LEU 465 HB1 LEU 465 7.092 9.527 -5.176
146 HG LEU 465 HG LEU 465 9.079 9.707 -3.280
147 HD11 LEU 465 HD11 LEU 465 7.186 10.509 -1.708
148 HD12 LEU 465 HD12 LEU 465 8.208 9.191 -1.136
149 HD13 LEU 465 HD13 LEU 465 6.603 8.847 -1.779
150 HD21 LEU 465 HD21 LEU 465 8.416 7.260 -2.828
151 HD22 LEU 465 HD22 LEU 465 8.725 7.701 -4.508
152 HD23 LEU 465 HD23 LEU 465 7.067 7.545 -3.927
153 H GLY 466 HN GLY 466 10.163 11.486 -3.447
154 HA2 GLY 466 HA2 GLY 466 9.182 12.832 -1.046
155 HA3 GLY 466 HA1 GLY 466 10.781 12.128 -1.270
156 H TYR 467 HN TYR 467 10.118 13.861 -3.995
157 HA TYR 467 HA TYR 467 11.812 16.075 -3.111
158 HB2 TYR 467 HB2 TYR 467 12.607 15.289 -5.144
159 HB3 TYR 467 HB1 TYR 467 10.991 14.949 -5.762
160 HD1 TYR 467 HD2 TYR 467 13.369 17.681 -4.917
161 HD2 TYR 467 HD1 TYR 467 9.738 16.600 -6.942
162 HE1 TYR 467 HE2 TYR 467 13.318 19.906 -6.013
163 HE2 TYR 467 HE1 TYR 467 9.684 18.825 -8.036
164 HH TYR 467 HH TYR 467 12.328 21.158 -7.581
165 H LEU 468 HN LEU 468 8.597 15.483 -4.474
166 HA LEU 468 HA LEU 468 7.819 18.150 -4.870
167 HB2 LEU 468 HB2 LEU 468 6.085 15.795 -4.084
168 HB3 LEU 468 HB1 LEU 468 5.519 17.304 -4.799
169 HG LEU 468 HG LEU 468 7.667 15.791 -6.230
170 HD11 LEU 468 HD11 LEU 468 6.092 14.021 -5.718
171 HD12 LEU 468 HD12 LEU 468 5.879 14.484 -7.406
172 HD13 LEU 468 HD13 LEU 468 4.732 15.041 -6.188
173 HD21 LEU 468 HD21 LEU 468 6.474 18.096 -6.792
174 HD22 LEU 468 HD22 LEU 468 5.234 17.033 -7.456
175 HD23 LEU 468 HD23 LEU 468 6.883 16.961 -8.076
176 H LEU 469 HN LEU 469 6.396 16.164 -2.292
177 HA LEU 469 HA LEU 469 5.477 18.162 -0.675
178 HB2 LEU 469 HB2 LEU 469 5.681 16.590 1.217
179 HB3 LEU 469 HB1 LEU 469 5.046 15.795 -0.223
180 HG LEU 469 HG LEU 469 7.768 15.490 -0.541
181 HD11 LEU 469 HD11 LEU 469 8.738 14.859 1.539
182 HD12 LEU 469 HD12 LEU 469 7.178 14.881 2.360
183 HD13 LEU 469 HD13 LEU 469 7.932 16.395 1.861
184 HD21 LEU 469 HD21 LEU 469 7.286 13.128 0.304
185 HD22 LEU 469 HD22 LEU 469 6.209 13.717 -0.963
186 HD23 LEU 469 HD23 LEU 469 5.671 13.703 0.717
187 H ASP 470 HN ASP 470 8.749 17.377 -1.311
188 HA ASP 470 HA ASP 470 9.881 18.514 1.072
189 HB2 ASP 470 HB2 ASP 470 10.831 17.153 -1.273
190 HB3 ASP 470 HB1 ASP 470 11.771 18.623 -1.026
191 H LYS 471 HN LYS 471 9.473 19.628 -2.285
192 HA LYS 471 HA LYS 471 10.375 22.307 -1.549
193 HB2 LYS 471 HB2 LYS 471 9.647 20.969 -4.145
194 HB3 LYS 471 HB1 LYS 471 9.837 22.720 -4.039
195 HG2 LYS 471 HG2 LYS 471 11.980 20.994 -2.864
196 HG3 LYS 471 HG1 LYS 471 11.908 21.156 -4.619
197 HD2 LYS 471 HD2 LYS 471 11.707 23.635 -2.953
198 HD3 LYS 471 HD1 LYS 471 13.290 22.888 -3.161
199 HE2 LYS 471 HE2 LYS 471 11.522 23.373 -5.548
200 HE3 LYS 471 HE1 LYS 471 12.514 24.677 -4.898
201 HZ1 LYS 471 HZ1 LYS 471 14.348 23.770 -5.729
202 HZ2 LYS 471 HZ2 LYS 471 13.338 22.755 -6.640
203 HZ3 LYS 471 HZ3 LYS 471 13.961 22.224 -5.151
204 H LYS 472 HN LYS 472 7.442 20.677 -2.700
205 HA LYS 472 HA LYS 472 5.900 23.144 -2.367
206 HB2 LYS 472 HB2 LYS 472 5.102 20.416 -3.411
207 HB3 LYS 472 HB1 LYS 472 4.049 21.832 -3.363
208 HG2 LYS 472 HG2 LYS 472 6.720 22.124 -4.672
209 HG3 LYS 472 HG1 LYS 472 5.467 21.236 -5.543
210 HD2 LYS 472 HD2 LYS 472 4.763 23.868 -4.291
211 HD3 LYS 472 HD1 LYS 472 5.667 23.862 -5.806
212 HE2 LYS 472 HE2 LYS 472 3.230 22.128 -5.543
213 HE3 LYS 472 HE1 LYS 472 3.034 23.853 -5.858
214 HZ1 LYS 472 HZ1 LYS 472 4.686 21.986 -7.474
215 HZ2 LYS 472 HZ2 LYS 472 4.459 23.641 -7.784
216 HZ3 LYS 472 HZ3 LYS 472 3.152 22.562 -7.907
217 HN1 NH2 473 H1 NH2 473 7.005 21.422 -0.043
218 HN2 NH2 473 H2 NH2 473 5.632 21.118 0.908
Start of MODEL 37
1 H1 ACE 446 HA2 ACE 446 21.159 1.340 -18.919
2 H2 ACE 446 HA3 ACE 446 20.765 3.016 -19.300
3 H3 ACE 446 HA1 ACE 446 20.369 1.736 -20.445
4 H LYS 447 HN LYS 447 18.683 0.228 -19.883
5 HA LYS 447 HA LYS 447 16.662 1.440 -18.123
6 HB2 LYS 447 HB2 LYS 447 16.430 0.540 -20.681
7 HB3 LYS 447 HB1 LYS 447 15.936 -0.894 -19.789
8 HG2 LYS 447 HG2 LYS 447 14.774 1.884 -19.392
9 HG3 LYS 447 HG1 LYS 447 14.012 0.597 -20.320
10 HD2 LYS 447 HD2 LYS 447 14.704 0.441 -17.366
11 HD3 LYS 447 HD1 LYS 447 13.095 0.734 -18.020
12 HE2 LYS 447 HE2 LYS 447 13.632 -1.502 -19.375
13 HE3 LYS 447 HE1 LYS 447 14.701 -1.785 -18.003
14 HZ1 LYS 447 HZ1 LYS 447 11.785 -1.611 -18.085
15 HZ2 LYS 447 HZ2 LYS 447 12.568 -1.029 -16.694
16 HZ3 LYS 447 HZ3 LYS 447 12.784 -2.642 -17.182
17 H ASP 448 HN ASP 448 17.854 -1.819 -18.980
18 HA ASP 448 HA ASP 448 16.841 -2.909 -16.487
19 HB2 ASP 448 HB2 ASP 448 17.624 -3.940 -19.046
20 HB3 ASP 448 HB1 ASP 448 18.536 -4.771 -17.786
21 H GLN 449 HN GLN 449 19.690 -1.409 -17.559
22 HA GLN 449 HA GLN 449 21.425 -2.763 -15.639
23 HB2 GLN 449 HB2 GLN 449 21.942 -0.510 -17.593
24 HB3 GLN 449 HB1 GLN 449 23.167 -1.229 -16.546
25 HG2 GLN 449 HG2 GLN 449 21.560 -3.135 -18.153
26 HG3 GLN 449 HG1 GLN 449 22.667 -2.107 -19.061
27 HE21 GLN 449 HE21 GLN 449 24.299 -3.676 -19.512
28 HE22 GLN 449 HE22 GLN 449 25.196 -4.450 -18.297
29 H PHE 450 HN PHE 450 19.323 -0.095 -15.744
30 HA PHE 450 HA PHE 450 20.729 1.473 -13.742
31 HB2 PHE 450 HB2 PHE 450 19.513 3.079 -14.726
32 HB3 PHE 450 HB1 PHE 450 18.538 1.886 -15.584
33 HD1 PHE 450 HD2 PHE 450 18.891 3.758 -12.395
34 HD2 PHE 450 HD1 PHE 450 16.370 1.241 -14.794
35 HE1 PHE 450 HE2 PHE 450 16.985 4.222 -10.879
36 HE2 PHE 450 HE1 PHE 450 14.462 1.704 -13.277
37 HZ PHE 450 HZ PHE 450 14.771 3.195 -11.318
38 H ILE 451 HN ILE 451 18.547 -1.145 -13.808
39 HA ILE 451 HA ILE 451 17.325 -0.590 -11.236
40 HB ILE 451 HB ILE 451 17.204 -2.891 -13.177
41 HG12 ILE 451 HG12 ILE 451 15.002 -1.185 -11.990
42 HG13 ILE 451 HG11 ILE 451 15.869 -0.725 -13.455
43 HG21 ILE 451 HG21 ILE 451 15.392 -3.691 -11.452
44 HG22 ILE 451 HG22 ILE 451 16.346 -2.758 -10.300
45 HG23 ILE 451 HG23 ILE 451 17.086 -4.096 -11.178
46 HD11 ILE 451 HD11 ILE 451 14.960 -3.509 -13.504
47 HD12 ILE 451 HD12 ILE 451 14.754 -2.241 -14.712
48 HD13 ILE 451 HD13 ILE 451 13.630 -2.359 -13.358
49 H ILE 452 HN ILE 452 19.473 -3.150 -12.504
50 HA ILE 452 HA ILE 452 20.060 -4.369 -10.061
51 HB ILE 452 HB ILE 452 22.079 -5.238 -11.191
52 HG12 ILE 452 HG12 ILE 452 21.814 -4.277 -13.800
53 HG13 ILE 452 HG11 ILE 452 21.640 -2.838 -12.796
54 HG21 ILE 452 HG21 ILE 452 20.690 -6.679 -12.219
55 HG22 ILE 452 HG22 ILE 452 20.332 -5.488 -13.469
56 HG23 ILE 452 HG23 ILE 452 19.374 -5.528 -11.988
57 HD11 ILE 452 HD11 ILE 452 23.993 -3.116 -13.247
58 HD12 ILE 452 HD12 ILE 452 23.935 -4.815 -12.778
59 HD13 ILE 452 HD13 ILE 452 23.725 -3.557 -11.561
60 H ALA 453 HN ALA 453 20.900 -1.276 -11.161
61 HA ALA 453 HA ALA 453 23.333 -1.072 -9.565
62 HB1 ALA 453 HB1 ALA 453 23.525 1.154 -10.465
63 HB2 ALA 453 HB2 ALA 453 21.862 1.115 -11.051
64 HB3 ALA 453 HB3 ALA 453 23.083 0.076 -11.788
65 H TYR 454 HN TYR 454 19.946 -0.228 -9.398
66 HA TYR 454 HA TYR 454 20.354 0.672 -6.627
67 HB2 TYR 454 HB2 TYR 454 18.688 2.139 -8.686
68 HB3 TYR 454 HB1 TYR 454 18.775 2.534 -6.970
69 HD1 TYR 454 HD2 TYR 454 21.135 2.998 -5.984
70 HD2 TYR 454 HD1 TYR 454 20.243 3.063 -10.185
71 HE1 TYR 454 HE2 TYR 454 23.173 4.349 -6.395
72 HE2 TYR 454 HE1 TYR 454 22.281 4.414 -10.595
73 HH TYR 454 HH TYR 454 24.240 5.645 -7.925
74 H GLY 455 HN GLY 455 17.614 0.462 -8.903
75 HA2 GLY 455 HA2 GLY 455 15.617 -0.299 -7.229
76 HA3 GLY 455 HA1 GLY 455 15.748 -0.914 -8.873
77 H GLY 456 HN GLY 456 18.404 -2.164 -8.073
78 HA2 GLY 456 HA2 GLY 456 17.236 -4.627 -6.967
79 HA3 GLY 456 HA1 GLY 456 18.747 -4.515 -7.865
80 H LEU 457 HN LEU 457 20.088 -2.524 -6.571
81 HA LEU 457 HA LEU 457 21.175 -3.836 -4.335
82 HB2 LEU 457 HB2 LEU 457 22.534 -2.262 -5.523
83 HB3 LEU 457 HB1 LEU 457 21.363 -0.970 -5.277
84 HG LEU 457 HG LEU 457 21.824 -0.894 -2.910
85 HD11 LEU 457 HD11 LEU 457 23.326 -3.449 -3.479
86 HD12 LEU 457 HD12 LEU 457 22.080 -3.154 -2.267
87 HD13 LEU 457 HD13 LEU 457 23.695 -2.478 -2.055
88 HD21 LEU 457 HD21 LEU 457 24.090 -0.148 -2.937
89 HD22 LEU 457 HD22 LEU 457 23.484 0.132 -4.569
90 HD23 LEU 457 HD23 LEU 457 24.516 -1.258 -4.240
91 H ARG 458 HN ARG 458 19.387 -0.742 -4.346
92 HA ARG 458 HA ARG 458 19.015 -0.403 -1.656
93 HB2 ARG 458 HB2 ARG 458 17.406 0.328 -4.058
94 HB3 ARG 458 HB1 ARG 458 16.652 0.522 -2.476
95 HG2 ARG 458 HG2 ARG 458 17.801 2.592 -3.140
96 HG3 ARG 458 HG1 ARG 458 18.582 1.881 -1.729
97 HD2 ARG 458 HD2 ARG 458 20.308 0.884 -3.157
98 HD3 ARG 458 HD1 ARG 458 19.504 1.507 -4.593
99 HE ARG 458 HE ARG 458 20.345 3.633 -4.096
100 HH11 ARG 458 HH21 ARG 458 20.844 1.396 -1.503
101 HH12 ARG 458 HH22 ARG 458 21.922 2.434 -0.632
102 HH21 ARG 458 HH11 ARG 458 21.759 5.000 -2.957
103 HH22 ARG 458 HH12 ARG 458 22.440 4.474 -1.455
104 H GLY 459 HN GLY 459 17.824 -2.959 -3.552
105 HA2 GLY 459 HA2 GLY 459 15.480 -3.577 -2.016
106 HA3 GLY 459 HA1 GLY 459 16.277 -4.633 -3.177
107 H ALA 460 HN ALA 460 17.957 -3.159 -0.483
108 HA ALA 460 HA ALA 460 17.966 -5.730 0.958
109 HB1 ALA 460 HB1 ALA 460 20.422 -5.376 1.383
110 HB2 ALA 460 HB2 ALA 460 20.383 -4.093 0.174
111 HB3 ALA 460 HB3 ALA 460 20.022 -5.755 -0.292
112 H ILE 461 HN ILE 461 19.329 -2.439 1.193
113 HA ILE 461 HA ILE 461 19.392 -2.238 3.956
114 HB ILE 461 HB ILE 461 19.080 -0.219 1.758
115 HG12 ILE 461 HG12 ILE 461 21.299 0.467 2.590
116 HG13 ILE 461 HG11 ILE 461 21.186 -0.725 3.886
117 HG21 ILE 461 HG21 ILE 461 18.794 0.209 4.728
118 HG22 ILE 461 HG22 ILE 461 17.828 0.887 3.416
119 HG23 ILE 461 HG23 ILE 461 19.467 1.473 3.699
120 HD11 ILE 461 HD11 ILE 461 22.510 -1.439 1.814
121 HD12 ILE 461 HD12 ILE 461 20.962 -1.491 0.971
122 HD13 ILE 461 HD13 ILE 461 21.250 -2.549 2.352
123 H ALA 462 HN ALA 462 16.697 -1.766 1.740
124 HA ALA 462 HA ALA 462 14.881 -0.627 3.591
125 HB1 ALA 462 HB1 ALA 462 14.455 -0.505 1.208
126 HB2 ALA 462 HB2 ALA 462 13.139 -1.389 1.978
127 HB3 ALA 462 HB3 ALA 462 14.390 -2.263 1.093
128 H PHE 463 HN PHE 463 15.923 -3.894 2.991
129 HA PHE 463 HA PHE 463 13.752 -5.047 4.564
130 HB2 PHE 463 HB2 PHE 463 14.189 -6.722 3.126
131 HB3 PHE 463 HB1 PHE 463 15.744 -6.024 2.671
132 HD1 PHE 463 HD2 PHE 463 14.006 -8.246 5.055
133 HD2 PHE 463 HD1 PHE 463 17.795 -6.654 3.804
134 HE1 PHE 463 HE2 PHE 463 15.175 -9.943 6.435
135 HE2 PHE 463 HE1 PHE 463 18.963 -8.351 5.184
136 HZ PHE 463 HZ PHE 463 17.654 -9.997 6.498
137 H SER 464 HN SER 464 17.308 -4.833 4.732
138 HA SER 464 HA SER 464 17.723 -6.082 7.167
139 HB2 SER 464 HB2 SER 464 19.171 -3.676 6.038
140 HB3 SER 464 HB1 SER 464 19.763 -4.691 7.352
141 HG SER 464 HG SER 464 20.002 -6.357 5.968
142 H LEU 465 HN LEU 465 16.052 -3.178 6.539
143 HA LEU 465 HA LEU 465 16.443 -2.070 9.207
144 HB2 LEU 465 HB2 LEU 465 15.375 -1.137 6.650
145 HB3 LEU 465 HB1 LEU 465 14.383 -0.655 8.026
146 HG LEU 465 HG LEU 465 16.336 0.303 9.144
147 HD11 LEU 465 HD11 LEU 465 18.330 0.398 7.217
148 HD12 LEU 465 HD12 LEU 465 17.723 -1.252 7.082
149 HD13 LEU 465 HD13 LEU 465 18.322 -0.657 8.630
150 HD21 LEU 465 HD21 LEU 465 16.850 2.113 7.495
151 HD22 LEU 465 HD22 LEU 465 15.124 1.769 7.611
152 HD23 LEU 465 HD23 LEU 465 16.055 1.157 6.243
153 H GLY 466 HN GLY 466 13.528 -2.868 7.304
154 HA2 GLY 466 HA2 GLY 466 11.827 -3.044 9.564
155 HA3 GLY 466 HA1 GLY 466 11.462 -3.651 7.952
156 H TYR 467 HN TYR 467 14.344 -4.992 8.817
157 HA TYR 467 HA TYR 467 13.062 -7.533 9.481
158 HB2 TYR 467 HB2 TYR 467 14.665 -7.907 7.846
159 HB3 TYR 467 HB1 TYR 467 15.775 -6.709 8.512
160 HD1 TYR 467 HD1 TYR 467 14.289 -10.074 9.112
161 HD2 TYR 467 HD2 TYR 467 17.421 -7.312 10.115
162 HE1 TYR 467 HE1 TYR 467 15.450 -11.854 10.390
163 HE2 TYR 467 HE2 TYR 467 18.581 -9.089 11.394
164 HH TYR 467 HH TYR 467 18.661 -11.328 11.769
165 H LEU 468 HN LEU 468 15.368 -5.221 10.851
166 HA LEU 468 HA LEU 468 16.097 -6.731 13.120
167 HB2 LEU 468 HB2 LEU 468 15.944 -3.720 12.840
168 HB3 LEU 468 HB1 LEU 468 16.851 -4.605 14.065
169 HG LEU 468 HG LEU 468 17.368 -5.243 11.186
170 HD11 LEU 468 HD11 LEU 468 19.059 -3.422 11.116
171 HD12 LEU 468 HD12 LEU 468 18.437 -2.815 12.650
172 HD13 LEU 468 HD13 LEU 468 17.411 -2.802 11.215
173 HD21 LEU 468 HD21 LEU 468 19.629 -5.637 12.077
174 HD22 LEU 468 HD22 LEU 468 18.434 -6.518 13.028
175 HD23 LEU 468 HD23 LEU 468 19.126 -5.020 13.651
176 H LEU 469 HN LEU 469 14.170 -3.759 13.335
177 HA LEU 469 HA LEU 469 13.012 -4.177 15.774
178 HB2 LEU 469 HB2 LEU 469 11.037 -2.836 14.843
179 HB3 LEU 469 HB1 LEU 469 12.628 -2.084 14.740
180 HG LEU 469 HG LEU 469 12.036 -3.766 12.420
181 HD11 LEU 469 HD11 LEU 469 9.746 -3.091 12.746
182 HD12 LEU 469 HD12 LEU 469 10.409 -2.078 11.463
183 HD13 LEU 469 HD13 LEU 469 10.228 -1.430 13.093
184 HD21 LEU 469 HD21 LEU 469 12.801 -1.733 11.249
185 HD22 LEU 469 HD22 LEU 469 13.890 -2.132 12.576
186 HD23 LEU 469 HD23 LEU 469 12.719 -0.826 12.759
187 H ASP 470 HN ASP 470 12.410 -5.916 12.881
188 HA ASP 470 HA ASP 470 9.797 -6.894 13.601
189 HB2 ASP 470 HB2 ASP 470 11.727 -7.305 11.402
190 HB3 ASP 470 HB1 ASP 470 10.703 -8.690 11.779
191 H LYS 471 HN LYS 471 13.125 -8.044 13.863
192 HA LYS 471 HA LYS 471 12.182 -10.448 15.285
193 HB2 LYS 471 HB2 LYS 471 14.957 -9.792 14.265
194 HB3 LYS 471 HB1 LYS 471 14.419 -11.337 14.925
195 HG2 LYS 471 HG2 LYS 471 13.305 -10.015 12.432
196 HG3 LYS 471 HG1 LYS 471 14.436 -11.368 12.449
197 HD2 LYS 471 HD2 LYS 471 12.598 -12.473 14.000
198 HD3 LYS 471 HD1 LYS 471 11.535 -11.314 13.201
199 HE2 LYS 471 HE2 LYS 471 13.134 -13.554 11.977
200 HE3 LYS 471 HE1 LYS 471 11.414 -13.202 11.800
201 HZ1 LYS 471 HZ1 LYS 471 11.897 -11.315 10.479
202 HZ2 LYS 471 HZ2 LYS 471 12.820 -12.596 9.850
203 HZ3 LYS 471 HZ3 LYS 471 13.557 -11.406 10.813
204 H LYS 472 HN LYS 472 14.883 -8.123 15.556
205 HA LYS 472 HA LYS 472 14.945 -8.559 18.449
206 HB2 LYS 472 HB2 LYS 472 16.747 -6.697 16.914
207 HB3 LYS 472 HB1 LYS 472 17.067 -7.548 18.428
208 HG2 LYS 472 HG2 LYS 472 16.798 -8.791 15.675
209 HG3 LYS 472 HG1 LYS 472 18.269 -8.676 16.641
210 HD2 LYS 472 HD2 LYS 472 16.930 -9.977 18.446
211 HD3 LYS 472 HD1 LYS 472 15.833 -10.384 17.125
212 HE2 LYS 472 HE2 LYS 472 17.300 -12.152 16.927
213 HE3 LYS 472 HE1 LYS 472 18.140 -10.982 15.908
214 HZ1 LYS 472 HZ1 LYS 472 19.378 -12.207 17.833
215 HZ2 LYS 472 HZ2 LYS 472 18.684 -10.984 18.788
216 HZ3 LYS 472 HZ3 LYS 472 19.708 -10.578 17.494
217 HN1 NH2 473 H1 NH2 473 15.366 -6.368 19.753
218 HN2 NH2 473 H2 NH2 473 14.281 -5.113 19.399
Start of MODEL 38
1 H1 ACE 446 HA2 ACE 446 19.200 2.873 -20.857
2 H2 ACE 446 HA3 ACE 446 18.105 1.656 -21.511
3 H3 ACE 446 HA1 ACE 446 19.603 1.161 -20.721
4 H LYS 447 HN LYS 447 17.758 -0.148 -19.602
5 HA LYS 447 HA LYS 447 17.038 1.306 -17.134
6 HB2 LYS 447 HB2 LYS 447 15.262 -0.615 -18.661
7 HB3 LYS 447 HB1 LYS 447 14.890 0.086 -17.086
8 HG2 LYS 447 HG2 LYS 447 15.589 2.275 -18.700
9 HG3 LYS 447 HG1 LYS 447 14.582 1.255 -19.726
10 HD2 LYS 447 HD2 LYS 447 13.123 2.762 -18.520
11 HD3 LYS 447 HD1 LYS 447 12.906 1.145 -17.851
12 HE2 LYS 447 HE2 LYS 447 13.436 1.951 -15.818
13 HE3 LYS 447 HE1 LYS 447 15.049 2.332 -16.421
14 HZ1 LYS 447 HZ1 LYS 447 13.607 4.341 -17.437
15 HZ2 LYS 447 HZ2 LYS 447 14.444 4.423 -15.961
16 HZ3 LYS 447 HZ3 LYS 447 12.781 4.073 -15.980
17 H ASP 448 HN ASP 448 17.296 -1.899 -18.668
18 HA ASP 448 HA ASP 448 17.358 -3.471 -16.376
19 HB2 ASP 448 HB2 ASP 448 17.630 -3.934 -19.067
20 HB3 ASP 448 HB1 ASP 448 19.240 -4.322 -18.464
21 H GLN 449 HN GLN 449 19.743 -1.302 -17.629
22 HA GLN 449 HA GLN 449 21.885 -2.439 -16.001
23 HB2 GLN 449 HB2 GLN 449 21.798 -0.055 -17.862
24 HB3 GLN 449 HB1 GLN 449 23.236 -0.579 -16.983
25 HG2 GLN 449 HG2 GLN 449 22.940 -2.854 -18.058
26 HG3 GLN 449 HG1 GLN 449 21.694 -2.132 -19.076
27 HE21 GLN 449 HE21 GLN 449 25.177 -1.938 -18.276
28 HE22 GLN 449 HE22 GLN 449 25.627 -1.184 -19.729
29 H PHE 450 HN PHE 450 19.467 -0.006 -15.823
30 HA PHE 450 HA PHE 450 20.836 1.476 -13.708
31 HB2 PHE 450 HB2 PHE 450 18.093 1.849 -14.939
32 HB3 PHE 450 HB1 PHE 450 18.846 2.933 -13.769
33 HD1 PHE 450 HD1 PHE 450 19.429 1.361 -17.117
34 HD2 PHE 450 HD2 PHE 450 20.245 4.671 -14.503
35 HE1 PHE 450 HE1 PHE 450 20.624 2.519 -18.956
36 HE2 PHE 450 HE2 PHE 450 21.439 5.829 -16.341
37 HZ PHE 450 HZ PHE 450 21.628 4.753 -18.568
38 H ILE 451 HN ILE 451 18.003 -0.607 -14.151
39 HA ILE 451 HA ILE 451 16.886 -0.453 -11.613
40 HB ILE 451 HB ILE 451 17.051 -2.735 -13.581
41 HG12 ILE 451 HG12 ILE 451 14.548 -1.322 -12.757
42 HG13 ILE 451 HG11 ILE 451 15.679 -0.448 -13.792
43 HG21 ILE 451 HG21 ILE 451 15.942 -2.620 -10.810
44 HG22 ILE 451 HG22 ILE 451 16.638 -3.985 -11.683
45 HG23 ILE 451 HG23 ILE 451 14.994 -3.458 -12.037
46 HD11 ILE 451 HD11 ILE 451 15.439 -1.947 -15.555
47 HD12 ILE 451 HD12 ILE 451 13.813 -1.974 -14.870
48 HD13 ILE 451 HD13 ILE 451 14.949 -3.271 -14.497
49 H ILE 452 HN ILE 452 19.034 -3.089 -12.712
50 HA ILE 452 HA ILE 452 19.523 -4.244 -10.248
51 HB ILE 452 HB ILE 452 21.517 -5.206 -11.227
52 HG12 ILE 452 HG12 ILE 452 21.231 -2.920 -13.193
53 HG13 ILE 452 HG11 ILE 452 22.611 -3.287 -12.156
54 HG21 ILE 452 HG21 ILE 452 19.602 -4.811 -13.527
55 HG22 ILE 452 HG22 ILE 452 19.153 -5.763 -12.113
56 HG23 ILE 452 HG23 ILE 452 20.527 -6.253 -13.105
57 HD11 ILE 452 HD11 ILE 452 22.683 -5.552 -13.428
58 HD12 ILE 452 HD12 ILE 452 23.284 -4.115 -14.255
59 HD13 ILE 452 HD13 ILE 452 21.676 -4.738 -14.625
60 H ALA 453 HN ALA 453 20.780 -1.285 -11.575
61 HA ALA 453 HA ALA 453 23.019 -0.992 -9.841
62 HB1 ALA 453 HB1 ALA 453 22.057 0.365 -12.031
63 HB2 ALA 453 HB2 ALA 453 23.373 0.916 -10.995
64 HB3 ALA 453 HB3 ALA 453 21.730 1.493 -10.716
65 H TYR 454 HN TYR 454 19.605 -0.271 -9.562
66 HA TYR 454 HA TYR 454 19.952 1.276 -7.125
67 HB2 TYR 454 HB2 TYR 454 17.713 0.588 -8.940
68 HB3 TYR 454 HB1 TYR 454 17.290 0.814 -7.243
69 HD1 TYR 454 HD2 TYR 454 19.292 2.413 -9.981
70 HD2 TYR 454 HD1 TYR 454 16.956 2.982 -6.419
71 HE1 TYR 454 HE2 TYR 454 19.451 4.871 -10.267
72 HE2 TYR 454 HE1 TYR 454 17.116 5.438 -6.708
73 HH TYR 454 HH TYR 454 17.947 7.097 -7.919
74 H GLY 455 HN GLY 455 18.337 -1.785 -8.006
75 HA2 GLY 455 HA2 GLY 455 19.095 -3.676 -6.444
76 HA3 GLY 455 HA1 GLY 455 18.497 -2.612 -5.175
77 H GLY 456 HN GLY 456 17.007 -2.947 -8.344
78 HA2 GLY 456 HA2 GLY 456 14.854 -3.521 -8.937
79 HA3 GLY 456 HA1 GLY 456 15.129 -4.923 -7.909
80 H LEU 457 HN LEU 457 15.394 -1.908 -6.326
81 HA LEU 457 HA LEU 457 13.030 -2.473 -4.744
82 HB2 LEU 457 HB2 LEU 457 13.766 -0.653 -3.337
83 HB3 LEU 457 HB1 LEU 457 15.167 -1.647 -3.738
84 HG LEU 457 HG LEU 457 15.104 0.173 -5.819
85 HD11 LEU 457 HD11 LEU 457 14.407 1.604 -3.234
86 HD12 LEU 457 HD12 LEU 457 13.363 1.487 -4.652
87 HD13 LEU 457 HD13 LEU 457 14.879 2.382 -4.745
88 HD21 LEU 457 HD21 LEU 457 16.584 0.244 -3.174
89 HD22 LEU 457 HD22 LEU 457 17.019 1.233 -4.569
90 HD23 LEU 457 HD23 LEU 457 17.119 -0.525 -4.667
91 H ARG 458 HN ARG 458 13.914 -0.449 -7.399
92 HA ARG 458 HA ARG 458 11.638 1.338 -7.035
93 HB2 ARG 458 HB2 ARG 458 12.544 2.122 -9.396
94 HB3 ARG 458 HB1 ARG 458 13.362 2.593 -7.910
95 HG2 ARG 458 HG2 ARG 458 14.948 1.755 -9.630
96 HG3 ARG 458 HG1 ARG 458 14.967 0.763 -8.174
97 HD2 ARG 458 HD2 ARG 458 14.902 -0.527 -10.360
98 HD3 ARG 458 HD1 ARG 458 13.630 -0.935 -9.215
99 HE ARG 458 HE ARG 458 12.947 1.110 -11.177
100 HH11 ARG 458 HH21 ARG 458 12.940 -2.230 -10.261
101 HH12 ARG 458 HH22 ARG 458 11.634 -2.655 -11.314
102 HH21 ARG 458 HH11 ARG 458 11.238 0.554 -12.563
103 HH22 ARG 458 HH12 ARG 458 10.672 -1.082 -12.618
104 H GLY 459 HN GLY 459 11.523 -1.656 -7.689
105 HA2 GLY 459 HA2 GLY 459 9.984 -1.511 -10.204
106 HA3 GLY 459 HA1 GLY 459 10.632 -2.985 -9.486
107 H ALA 460 HN ALA 460 9.348 -0.946 -7.146
108 HA ALA 460 HA ALA 460 6.727 -2.310 -7.213
109 HB1 ALA 460 HB1 ALA 460 8.727 -2.822 -5.377
110 HB2 ALA 460 HB2 ALA 460 7.009 -3.157 -5.146
111 HB3 ALA 460 HB3 ALA 460 7.704 -1.654 -4.539
112 H ILE 461 HN ILE 461 8.491 0.593 -6.944
113 HA ILE 461 HA ILE 461 6.369 2.062 -5.598
114 HB ILE 461 HB ILE 461 9.005 2.913 -6.811
115 HG12 ILE 461 HG12 ILE 461 9.546 3.374 -4.419
116 HG13 ILE 461 HG11 ILE 461 7.972 2.724 -3.960
117 HG21 ILE 461 HG21 ILE 461 6.657 4.464 -5.852
118 HG22 ILE 461 HG22 ILE 461 7.883 4.898 -7.042
119 HG23 ILE 461 HG23 ILE 461 8.242 5.023 -5.320
120 HD11 ILE 461 HD11 ILE 461 10.141 1.184 -3.958
121 HD12 ILE 461 HD12 ILE 461 9.753 1.030 -5.670
122 HD13 ILE 461 HD13 ILE 461 8.576 0.542 -4.452
123 H ALA 462 HN ALA 462 8.006 2.279 -8.765
124 HA ALA 462 HA ALA 462 6.430 4.131 -10.019
125 HB1 ALA 462 HB1 ALA 462 7.887 1.708 -10.989
126 HB2 ALA 462 HB2 ALA 462 8.176 3.410 -11.348
127 HB3 ALA 462 HB3 ALA 462 6.829 2.564 -12.110
128 H PHE 463 HN PHE 463 5.706 0.711 -9.500
129 HA PHE 463 HA PHE 463 3.267 0.763 -11.019
130 HB2 PHE 463 HB2 PHE 463 3.621 -1.444 -10.874
131 HB3 PHE 463 HB1 PHE 463 4.864 -1.202 -9.645
132 HD1 PHE 463 HD2 PHE 463 1.162 -1.394 -10.126
133 HD2 PHE 463 HD1 PHE 463 4.453 -1.755 -7.390
134 HE1 PHE 463 HE2 PHE 463 -0.376 -2.278 -8.392
135 HE2 PHE 463 HE1 PHE 463 2.916 -2.640 -5.657
136 HZ PHE 463 HZ PHE 463 0.501 -2.901 -6.158
137 H SER 464 HN SER 464 4.158 1.183 -7.642
138 HA SER 464 HA SER 464 1.517 1.102 -6.588
139 HB2 SER 464 HB2 SER 464 2.488 1.948 -4.562
140 HB3 SER 464 HB1 SER 464 3.643 0.820 -5.265
141 HG SER 464 HG SER 464 3.824 3.526 -4.863
142 H LEU 465 HN LEU 465 3.077 3.338 -8.555
143 HA LEU 465 HA LEU 465 1.746 5.700 -7.514
144 HB2 LEU 465 HB2 LEU 465 3.824 5.106 -9.501
145 HB3 LEU 465 HB1 LEU 465 2.712 6.377 -10.006
146 HG LEU 465 HG LEU 465 4.705 7.221 -8.725
147 HD11 LEU 465 HD11 LEU 465 2.733 8.027 -6.815
148 HD12 LEU 465 HD12 LEU 465 1.946 7.864 -8.384
149 HD13 LEU 465 HD13 LEU 465 3.340 8.928 -8.205
150 HD21 LEU 465 HD21 LEU 465 3.553 6.366 -6.151
151 HD22 LEU 465 HD22 LEU 465 5.240 6.434 -6.660
152 HD23 LEU 465 HD23 LEU 465 4.240 5.053 -7.105
153 H GLY 466 HN GLY 466 1.796 4.277 -10.784
154 HA2 GLY 466 HA2 GLY 466 -0.624 5.477 -11.605
155 HA3 GLY 466 HA1 GLY 466 0.164 4.116 -12.397
156 H TYR 467 HN TYR 467 -0.250 3.246 -9.245
157 HA TYR 467 HA TYR 467 -2.562 1.589 -9.914
158 HB2 TYR 467 HB2 TYR 467 -1.047 0.227 -8.856
159 HB3 TYR 467 HB1 TYR 467 -0.412 1.531 -7.852
160 HD1 TYR 467 HD2 TYR 467 -3.437 -0.605 -8.366
161 HD2 TYR 467 HD1 TYR 467 -1.174 1.826 -5.641
162 HE1 TYR 467 HE2 TYR 467 -4.915 -1.316 -6.505
163 HE2 TYR 467 HE1 TYR 467 -2.652 1.116 -3.781
164 HH TYR 467 HH TYR 467 -5.579 -0.190 -4.155
165 H LEU 468 HN LEU 468 -1.631 4.148 -7.665
166 HA LEU 468 HA LEU 468 -3.935 4.070 -6.034
167 HB2 LEU 468 HB2 LEU 468 -2.163 6.430 -6.707
168 HB3 LEU 468 HB1 LEU 468 -3.286 6.337 -5.352
169 HG LEU 468 HG LEU 468 -1.246 4.166 -5.642
170 HD11 LEU 468 HD11 LEU 468 0.388 5.529 -4.382
171 HD12 LEU 468 HD12 LEU 468 -0.676 6.928 -4.530
172 HD13 LEU 468 HD13 LEU 468 0.056 6.221 -5.970
173 HD21 LEU 468 HD21 LEU 468 -3.186 4.532 -3.858
174 HD22 LEU 468 HD22 LEU 468 -1.984 5.584 -3.110
175 HD23 LEU 468 HD23 LEU 468 -1.622 3.878 -3.372
176 H LEU 469 HN LEU 469 -3.213 6.791 -8.193
177 HA LEU 469 HA LEU 469 -5.720 7.833 -8.438
178 HB2 LEU 469 HB2 LEU 469 -5.026 8.725 -10.633
179 HB3 LEU 469 HB1 LEU 469 -3.747 8.887 -9.429
180 HG LEU 469 HG LEU 469 -3.253 6.386 -10.492
181 HD11 LEU 469 HD11 LEU 469 -4.083 8.256 -12.734
182 HD12 LEU 469 HD12 LEU 469 -4.937 6.788 -12.261
183 HD13 LEU 469 HD13 LEU 469 -3.311 6.683 -12.937
184 HD21 LEU 469 HD21 LEU 469 -1.488 7.932 -10.053
185 HD22 LEU 469 HD22 LEU 469 -2.171 9.136 -11.146
186 HD23 LEU 469 HD23 LEU 469 -1.446 7.665 -11.796
187 H ASP 470 HN ASP 470 -4.623 4.826 -9.656
188 HA ASP 470 HA ASP 470 -6.695 4.560 -11.670
189 HB2 ASP 470 HB2 ASP 470 -4.423 2.919 -10.681
190 HB3 ASP 470 HB1 ASP 470 -5.778 2.059 -11.408
191 H LYS 471 HN LYS 471 -6.031 3.328 -8.416
192 HA LYS 471 HA LYS 471 -8.739 2.149 -8.345
193 HB2 LYS 471 HB2 LYS 471 -6.315 1.624 -6.608
194 HB3 LYS 471 HB1 LYS 471 -7.895 0.868 -6.394
195 HG2 LYS 471 HG2 LYS 471 -7.180 0.587 -9.138
196 HG3 LYS 471 HG1 LYS 471 -5.789 0.092 -8.173
197 HD2 LYS 471 HD2 LYS 471 -7.236 -1.410 -6.852
198 HD3 LYS 471 HD1 LYS 471 -8.626 -0.922 -7.823
199 HE2 LYS 471 HE2 LYS 471 -6.125 -2.155 -9.004
200 HE3 LYS 471 HE1 LYS 471 -7.547 -3.094 -8.551
201 HZ1 LYS 471 HZ1 LYS 471 -7.167 -1.929 -10.949
202 HZ2 LYS 471 HZ2 LYS 471 -8.130 -0.774 -10.157
203 HZ3 LYS 471 HZ3 LYS 471 -8.677 -2.375 -10.319
204 H LYS 472 HN LYS 472 -6.444 3.803 -6.160
205 HA LYS 472 HA LYS 472 -8.147 4.503 -4.124
206 HB2 LYS 472 HB2 LYS 472 -5.592 5.009 -4.526
207 HB3 LYS 472 HB1 LYS 472 -6.206 6.558 -5.108
208 HG2 LYS 472 HG2 LYS 472 -5.992 7.056 -2.862
209 HG3 LYS 472 HG1 LYS 472 -7.639 6.424 -2.866
210 HD2 LYS 472 HD2 LYS 472 -6.554 4.120 -2.433
211 HD3 LYS 472 HD1 LYS 472 -5.100 5.031 -2.019
212 HE2 LYS 472 HE2 LYS 472 -6.009 5.104 0.066
213 HE3 LYS 472 HE1 LYS 472 -7.005 6.395 -0.604
214 HZ1 LYS 472 HZ1 LYS 472 -8.114 4.375 0.551
215 HZ2 LYS 472 HZ2 LYS 472 -7.848 3.600 -0.938
216 HZ3 LYS 472 HZ3 LYS 472 -8.794 5.010 -0.868
217 HN1 NH2 473 H1 NH2 473 -9.806 6.031 -3.851
218 HN2 NH2 473 H2 NH2 473 -10.316 7.103 -5.064
Start of MODEL 39
1 H1 ACE 446 HA2 ACE 446 19.862 2.420 -19.444
2 H2 ACE 446 HA3 ACE 446 19.854 3.252 -17.890
3 H3 ACE 446 HA1 ACE 446 19.180 4.042 -19.315
4 H LYS 447 HN LYS 447 18.746 0.672 -18.321
5 HA LYS 447 HA LYS 447 16.050 1.152 -17.363
6 HB2 LYS 447 HB2 LYS 447 16.082 0.948 -19.985
7 HB3 LYS 447 HB1 LYS 447 16.290 -0.769 -19.652
8 HG2 LYS 447 HG2 LYS 447 13.936 -0.459 -19.805
9 HG3 LYS 447 HG1 LYS 447 14.279 -0.568 -18.081
10 HD2 LYS 447 HD2 LYS 447 14.544 2.177 -18.807
11 HD3 LYS 447 HD1 LYS 447 13.044 1.588 -19.522
12 HE2 LYS 447 HE2 LYS 447 12.305 0.733 -17.357
13 HE3 LYS 447 HE1 LYS 447 13.832 1.214 -16.619
14 HZ1 LYS 447 HZ1 LYS 447 12.699 3.074 -16.144
15 HZ2 LYS 447 HZ2 LYS 447 11.547 2.829 -17.368
16 HZ3 LYS 447 HZ3 LYS 447 13.060 3.503 -17.744
17 H ASP 448 HN ASP 448 17.783 -1.620 -18.788
18 HA ASP 448 HA ASP 448 17.068 -3.270 -16.505
19 HB2 ASP 448 HB2 ASP 448 18.870 -4.051 -18.794
20 HB3 ASP 448 HB1 ASP 448 17.896 -5.100 -17.765
21 H GLN 449 HN GLN 449 19.835 -1.526 -17.709
22 HA GLN 449 HA GLN 449 21.657 -2.820 -15.827
23 HB2 GLN 449 HB2 GLN 449 21.908 -1.134 -18.217
24 HB3 GLN 449 HB1 GLN 449 23.040 -0.716 -16.930
25 HG2 GLN 449 HG2 GLN 449 22.616 -3.566 -17.838
26 HG3 GLN 449 HG1 GLN 449 23.816 -2.513 -18.584
27 HE21 GLN 449 HE21 GLN 449 25.493 -1.565 -17.046
28 HE22 GLN 449 HE22 GLN 449 25.943 -2.479 -15.690
29 H PHE 450 HN PHE 450 19.520 -0.182 -15.903
30 HA PHE 450 HA PHE 450 20.994 1.428 -13.975
31 HB2 PHE 450 HB2 PHE 450 19.780 3.034 -14.957
32 HB3 PHE 450 HB1 PHE 450 18.791 1.837 -15.794
33 HD1 PHE 450 HD2 PHE 450 19.192 3.702 -12.600
34 HD2 PHE 450 HD1 PHE 450 16.607 1.265 -15.015
35 HE1 PHE 450 HE2 PHE 450 17.301 4.199 -11.077
36 HE2 PHE 450 HE1 PHE 450 14.715 1.763 -13.492
37 HZ PHE 450 HZ PHE 450 15.061 3.230 -11.523
38 H ILE 451 HN ILE 451 18.393 -0.903 -14.049
39 HA ILE 451 HA ILE 451 17.346 -0.363 -11.455
40 HB ILE 451 HB ILE 451 17.161 -2.663 -13.376
41 HG12 ILE 451 HG12 ILE 451 14.960 -1.086 -12.039
42 HG13 ILE 451 HG11 ILE 451 15.797 -0.460 -13.459
43 HG21 ILE 451 HG21 ILE 451 17.182 -3.890 -11.370
44 HG22 ILE 451 HG22 ILE 451 15.467 -3.563 -11.611
45 HG23 ILE 451 HG23 ILE 451 16.396 -2.600 -10.463
46 HD11 ILE 451 HD11 ILE 451 14.813 -1.965 -14.859
47 HD12 ILE 451 HD12 ILE 451 13.606 -2.086 -13.578
48 HD13 ILE 451 HD13 ILE 451 14.909 -3.271 -13.678
49 H ILE 452 HN ILE 452 19.346 -3.094 -12.601
50 HA ILE 452 HA ILE 452 19.934 -4.273 -10.191
51 HB ILE 452 HB ILE 452 20.648 -5.197 -12.352
52 HG12 ILE 452 HG12 ILE 452 23.084 -4.656 -10.634
53 HG13 ILE 452 HG11 ILE 452 21.810 -5.777 -10.156
54 HG21 ILE 452 HG21 ILE 452 21.588 -2.658 -12.849
55 HG22 ILE 452 HG22 ILE 452 21.994 -4.085 -13.804
56 HG23 ILE 452 HG23 ILE 452 23.078 -3.543 -12.522
57 HD11 ILE 452 HD11 ILE 452 23.845 -6.763 -11.406
58 HD12 ILE 452 HD12 ILE 452 23.165 -5.998 -12.842
59 HD13 ILE 452 HD13 ILE 452 22.242 -7.226 -11.976
60 H ALA 453 HN ALA 453 20.925 -1.183 -11.314
61 HA ALA 453 HA ALA 453 23.248 -0.930 -9.628
62 HB1 ALA 453 HB1 ALA 453 23.377 1.301 -10.415
63 HB2 ALA 453 HB2 ALA 453 21.661 1.343 -10.816
64 HB3 ALA 453 HB3 ALA 453 22.768 0.369 -11.783
65 H TYR 454 HN TYR 454 19.826 -0.145 -9.397
66 HA TYR 454 HA TYR 454 20.194 0.382 -6.530
67 HB2 TYR 454 HB2 TYR 454 18.512 2.176 -8.284
68 HB3 TYR 454 HB1 TYR 454 18.903 2.398 -6.579
69 HD1 TYR 454 HD2 TYR 454 21.534 2.343 -6.056
70 HD2 TYR 454 HD1 TYR 454 19.779 3.374 -9.839
71 HE1 TYR 454 HE2 TYR 454 23.594 3.573 -6.677
72 HE2 TYR 454 HE1 TYR 454 21.839 4.604 -10.460
73 HH TYR 454 HH TYR 454 23.762 5.771 -9.101
74 H GLY 455 HN GLY 455 17.628 0.421 -9.020
75 HA2 GLY 455 HA2 GLY 455 15.497 -0.383 -7.473
76 HA3 GLY 455 HA1 GLY 455 15.664 -0.781 -9.179
77 H GLY 456 HN GLY 456 18.312 -2.142 -8.088
78 HA2 GLY 456 HA2 GLY 456 17.010 -4.652 -7.205
79 HA3 GLY 456 HA1 GLY 456 18.296 -4.637 -8.409
80 H LEU 457 HN LEU 457 19.802 -2.524 -7.082
81 HA LEU 457 HA LEU 457 21.010 -4.164 -4.962
82 HB2 LEU 457 HB2 LEU 457 22.469 -3.445 -6.829
83 HB3 LEU 457 HB1 LEU 457 22.117 -1.763 -6.445
84 HG LEU 457 HG LEU 457 23.098 -2.079 -4.188
85 HD11 LEU 457 HD11 LEU 457 24.571 -4.297 -4.130
86 HD12 LEU 457 HD12 LEU 457 23.293 -4.896 -5.186
87 HD13 LEU 457 HD13 LEU 457 22.898 -4.304 -3.573
88 HD21 LEU 457 HD21 LEU 457 24.588 -1.240 -5.872
89 HD22 LEU 457 HD22 LEU 457 24.796 -2.844 -6.574
90 HD23 LEU 457 HD23 LEU 457 25.477 -2.481 -4.989
91 H ARG 458 HN ARG 458 19.342 -3.569 -3.421
92 HA ARG 458 HA ARG 458 19.407 -0.769 -2.526
93 HB2 ARG 458 HB2 ARG 458 17.615 -2.848 -1.328
94 HB3 ARG 458 HB1 ARG 458 17.337 -1.119 -1.541
95 HG2 ARG 458 HG2 ARG 458 17.554 -1.791 -4.120
96 HG3 ARG 458 HG1 ARG 458 17.005 -3.347 -3.497
97 HD2 ARG 458 HD2 ARG 458 15.620 -0.684 -3.080
98 HD3 ARG 458 HD1 ARG 458 15.089 -1.961 -4.169
99 HE ARG 458 HE ARG 458 14.841 -1.939 -1.267
100 HH11 ARG 458 HH21 ARG 458 14.812 -3.750 -4.218
101 HH12 ARG 458 HH22 ARG 458 13.867 -5.050 -3.571
102 HH21 ARG 458 HH11 ARG 458 13.602 -3.640 -0.414
103 HH22 ARG 458 HH12 ARG 458 13.183 -4.987 -1.418
104 H GLY 459 HN GLY 459 21.670 -2.510 -2.077
105 HA2 GLY 459 HA2 GLY 459 23.107 -3.161 -0.398
106 HA3 GLY 459 HA1 GLY 459 22.326 -1.899 0.551
107 H ALA 460 HN ALA 460 20.053 -4.124 -0.491
108 HA ALA 460 HA ALA 460 20.276 -5.720 1.989
109 HB1 ALA 460 HB1 ALA 460 18.217 -3.878 1.258
110 HB2 ALA 460 HB2 ALA 460 18.318 -4.900 2.694
111 HB3 ALA 460 HB3 ALA 460 17.544 -5.509 1.230
112 H ILE 461 HN ILE 461 19.897 -5.641 -1.392
113 HA ILE 461 HA ILE 461 18.708 -8.308 -1.544
114 HB ILE 461 HB ILE 461 19.482 -6.238 -3.591
115 HG12 ILE 461 HG12 ILE 461 17.085 -6.359 -4.116
116 HG13 ILE 461 HG11 ILE 461 16.877 -7.650 -2.931
117 HG21 ILE 461 HG21 ILE 461 18.365 -8.062 -5.147
118 HG22 ILE 461 HG22 ILE 461 18.964 -9.171 -3.914
119 HG23 ILE 461 HG23 ILE 461 20.091 -8.134 -4.787
120 HD11 ILE 461 HD11 ILE 461 18.071 -5.016 -2.104
121 HD12 ILE 461 HD12 ILE 461 17.239 -6.214 -1.112
122 HD13 ILE 461 HD13 ILE 461 16.320 -5.198 -2.224
123 H ALA 462 HN ALA 462 21.755 -6.660 -2.306
124 HA ALA 462 HA ALA 462 23.078 -8.930 -3.377
125 HB1 ALA 462 HB1 ALA 462 25.106 -7.390 -2.394
126 HB2 ALA 462 HB2 ALA 462 23.810 -6.204 -2.533
127 HB3 ALA 462 HB3 ALA 462 24.318 -7.123 -3.950
128 H PHE 463 HN PHE 463 22.701 -7.672 -0.110
129 HA PHE 463 HA PHE 463 24.680 -9.244 1.152
130 HB2 PHE 463 HB2 PHE 463 24.013 -7.868 2.794
131 HB3 PHE 463 HB1 PHE 463 22.507 -7.499 1.952
132 HD1 PHE 463 HD1 PHE 463 20.509 -8.944 2.254
133 HD2 PHE 463 HD2 PHE 463 24.108 -9.552 4.518
134 HE1 PHE 463 HE1 PHE 463 19.259 -10.360 3.861
135 HE2 PHE 463 HE2 PHE 463 22.859 -10.969 6.124
136 HZ PHE 463 HZ PHE 463 20.434 -11.373 5.796
137 H SER 464 HN SER 464 21.239 -9.828 0.509
138 HA SER 464 HA SER 464 21.119 -12.335 1.847
139 HB2 SER 464 HB2 SER 464 19.176 -12.366 -0.160
140 HB3 SER 464 HB1 SER 464 18.955 -11.855 1.511
141 HG SER 464 HG SER 464 19.557 -9.754 0.863
142 H LEU 465 HN LEU 465 22.602 -11.373 -1.027
143 HA LEU 465 HA LEU 465 22.343 -13.968 -2.343
144 HB2 LEU 465 HB2 LEU 465 23.174 -11.258 -3.117
145 HB3 LEU 465 HB1 LEU 465 24.182 -12.530 -3.802
146 HG LEU 465 HG LEU 465 22.200 -11.919 -5.230
147 HD11 LEU 465 HD11 LEU 465 23.147 -14.505 -4.475
148 HD12 LEU 465 HD12 LEU 465 22.427 -14.014 -6.008
149 HD13 LEU 465 HD13 LEU 465 21.403 -14.617 -4.706
150 HD21 LEU 465 HD21 LEU 465 20.069 -11.987 -4.436
151 HD22 LEU 465 HD22 LEU 465 20.837 -11.878 -2.852
152 HD23 LEU 465 HD23 LEU 465 20.364 -13.450 -3.497
153 H GLY 466 HN GLY 466 24.872 -11.924 -0.908
154 HA2 GLY 466 HA2 GLY 466 26.842 -14.061 -1.178
155 HA3 GLY 466 HA1 GLY 466 27.142 -12.435 -0.581
156 H TYR 467 HN TYR 467 24.559 -12.976 1.099
157 HA TYR 467 HA TYR 467 25.737 -13.363 3.569
158 HB2 TYR 467 HB2 TYR 467 23.592 -12.651 3.854
159 HB3 TYR 467 HB1 TYR 467 22.988 -13.590 2.489
160 HD1 TYR 467 HD2 TYR 467 24.308 -13.958 5.969
161 HD2 TYR 467 HD1 TYR 467 21.881 -15.633 2.848
162 HE1 TYR 467 HE2 TYR 467 23.517 -15.717 7.529
163 HE2 TYR 467 HE1 TYR 467 21.090 -17.393 4.406
164 HH TYR 467 HH TYR 467 21.853 -17.294 7.826
165 H LEU 468 HN LEU 468 24.732 -15.754 1.212
166 HA LEU 468 HA LEU 468 24.896 -17.995 2.986
167 HB2 LEU 468 HB2 LEU 468 24.985 -17.898 -0.039
168 HB3 LEU 468 HB1 LEU 468 24.729 -19.344 0.938
169 HG LEU 468 HG LEU 468 22.846 -17.565 1.934
170 HD11 LEU 468 HD11 LEU 468 21.673 -16.707 -0.057
171 HD12 LEU 468 HD12 LEU 468 22.955 -17.339 -1.090
172 HD13 LEU 468 HD13 LEU 468 23.300 -16.034 0.045
173 HD21 LEU 468 HD21 LEU 468 22.540 -19.653 -0.250
174 HD22 LEU 468 HD22 LEU 468 21.232 -19.028 0.755
175 HD23 LEU 468 HD23 LEU 468 22.533 -19.971 1.484
176 H LEU 469 HN LEU 469 26.888 -17.322 0.101
177 HA LEU 469 HA LEU 469 28.994 -19.022 0.885
178 HB2 LEU 469 HB2 LEU 469 30.319 -17.491 -0.785
179 HB3 LEU 469 HB1 LEU 469 29.041 -18.547 -1.383
180 HG LEU 469 HG LEU 469 28.156 -15.864 -0.484
181 HD11 LEU 469 HD11 LEU 469 30.023 -16.300 -2.814
182 HD12 LEU 469 HD12 LEU 469 30.111 -15.068 -1.555
183 HD13 LEU 469 HD13 LEU 469 28.866 -14.971 -2.799
184 HD21 LEU 469 HD21 LEU 469 26.597 -16.136 -2.236
185 HD22 LEU 469 HD22 LEU 469 26.843 -17.786 -1.667
186 HD23 LEU 469 HD23 LEU 469 27.656 -17.227 -3.128
187 H ASP 470 HN ASP 470 28.013 -16.288 2.393
188 HA ASP 470 HA ASP 470 30.725 -15.405 3.125
189 HB2 ASP 470 HB2 ASP 470 29.231 -13.611 2.471
190 HB3 ASP 470 HB1 ASP 470 28.015 -14.156 3.625
191 H LYS 471 HN LYS 471 27.777 -16.813 4.413
192 HA LYS 471 HA LYS 471 29.015 -16.998 7.082
193 HB2 LYS 471 HB2 LYS 471 26.159 -17.258 6.134
194 HB3 LYS 471 HB1 LYS 471 26.667 -17.692 7.767
195 HG2 LYS 471 HG2 LYS 471 27.448 -15.010 6.671
196 HG3 LYS 471 HG1 LYS 471 25.796 -15.246 7.243
197 HD2 LYS 471 HD2 LYS 471 27.965 -16.234 9.028
198 HD3 LYS 471 HD1 LYS 471 27.802 -14.486 8.877
199 HE2 LYS 471 HE2 LYS 471 26.423 -15.372 10.736
200 HE3 LYS 471 HE1 LYS 471 25.429 -14.629 9.482
201 HZ1 LYS 471 HZ1 LYS 471 26.016 -17.532 9.558
202 HZ2 LYS 471 HZ2 LYS 471 24.842 -16.727 8.628
203 HZ3 LYS 471 HZ3 LYS 471 24.658 -16.850 10.312
204 H LYS 472 HN LYS 472 27.125 -18.977 4.790
205 HA LYS 472 HA LYS 472 27.751 -21.438 6.114
206 HB2 LYS 472 HB2 LYS 472 26.623 -20.848 3.370
207 HB3 LYS 472 HB1 LYS 472 26.777 -22.470 4.048
208 HG2 LYS 472 HG2 LYS 472 25.428 -20.407 5.728
209 HG3 LYS 472 HG1 LYS 472 24.536 -21.032 4.340
210 HD2 LYS 472 HD2 LYS 472 24.733 -23.295 5.131
211 HD3 LYS 472 HD1 LYS 472 25.868 -22.815 6.393
212 HE2 LYS 472 HE2 LYS 472 23.641 -23.126 7.361
213 HE3 LYS 472 HE1 LYS 472 24.088 -21.421 7.429
214 HZ1 LYS 472 HZ1 LYS 472 22.081 -22.753 5.777
215 HZ2 LYS 472 HZ2 LYS 472 22.910 -21.439 5.090
216 HZ3 LYS 472 HZ3 LYS 472 22.030 -21.235 6.530
217 HN1 NH2 473 H1 NH2 473 29.042 -19.857 3.154
218 HN2 NH2 473 H2 NH2 473 30.412 -20.854 3.046
Start of MODEL 40
1 H1 ACE 446 HA2 ACE 446 19.281 0.598 -20.801
2 H2 ACE 446 HA3 ACE 446 18.577 2.096 -21.410
3 H3 ACE 446 HA1 ACE 446 17.843 0.547 -21.822
4 H LYS 447 HN LYS 447 17.812 -0.738 -19.391
5 HA LYS 447 HA LYS 447 16.490 1.028 -17.468
6 HB2 LYS 447 HB2 LYS 447 15.132 -1.386 -18.694
7 HB3 LYS 447 HB1 LYS 447 14.506 -0.434 -17.345
8 HG2 LYS 447 HG2 LYS 447 14.728 1.599 -18.919
9 HG3 LYS 447 HG1 LYS 447 14.886 0.414 -20.217
10 HD2 LYS 447 HD2 LYS 447 12.547 0.789 -18.332
11 HD3 LYS 447 HD1 LYS 447 12.556 0.957 -20.088
12 HE2 LYS 447 HE2 LYS 447 13.282 -1.518 -20.137
13 HE3 LYS 447 HE1 LYS 447 12.772 -1.569 -18.450
14 HZ1 LYS 447 HZ1 LYS 447 10.709 -1.835 -19.165
15 HZ2 LYS 447 HZ2 LYS 447 11.185 -1.642 -20.784
16 HZ3 LYS 447 HZ3 LYS 447 10.758 -0.286 -19.852
17 H ASP 448 HN ASP 448 17.691 -2.176 -18.323
18 HA ASP 448 HA ASP 448 17.572 -3.280 -15.703
19 HB2 ASP 448 HB2 ASP 448 17.740 -4.706 -17.676
20 HB3 ASP 448 HB1 ASP 448 19.313 -4.015 -18.068
21 H GLN 449 HN GLN 449 20.399 -2.186 -17.598
22 HA GLN 449 HA GLN 449 22.335 -2.331 -15.656
23 HB2 GLN 449 HB2 GLN 449 21.926 -0.435 -17.950
24 HB3 GLN 449 HB1 GLN 449 23.297 -0.230 -16.860
25 HG2 GLN 449 HG2 GLN 449 22.813 -2.987 -17.855
26 HG3 GLN 449 HG1 GLN 449 23.391 -1.820 -19.042
27 HE21 GLN 449 HE21 GLN 449 24.151 -2.294 -15.542
28 HE22 GLN 449 HE22 GLN 449 25.830 -2.378 -15.775
29 H PHE 450 HN PHE 450 19.669 -0.150 -15.837
30 HA PHE 450 HA PHE 450 20.802 1.677 -13.854
31 HB2 PHE 450 HB2 PHE 450 18.088 1.674 -15.197
32 HB3 PHE 450 HB1 PHE 450 18.734 2.958 -14.174
33 HD1 PHE 450 HD2 PHE 450 20.718 4.273 -14.912
34 HD2 PHE 450 HD1 PHE 450 18.808 1.404 -17.475
35 HE1 PHE 450 HE2 PHE 450 21.871 5.259 -16.875
36 HE2 PHE 450 HE1 PHE 450 19.960 2.389 -19.437
37 HZ PHE 450 HZ PHE 450 21.492 4.317 -19.137
38 H ILE 451 HN ILE 451 18.055 -0.556 -14.189
39 HA ILE 451 HA ILE 451 17.029 -0.230 -11.584
40 HB ILE 451 HB ILE 451 16.828 -2.388 -13.663
41 HG12 ILE 451 HG12 ILE 451 14.585 -0.919 -12.303
42 HG13 ILE 451 HG11 ILE 451 15.542 -0.092 -13.533
43 HG21 ILE 451 HG21 ILE 451 15.052 -3.346 -12.013
44 HG22 ILE 451 HG22 ILE 451 15.976 -2.493 -10.775
45 HG23 ILE 451 HG23 ILE 451 16.750 -3.747 -11.745
46 HD11 ILE 451 HD11 ILE 451 13.420 -1.382 -14.301
47 HD12 ILE 451 HD12 ILE 451 14.397 -2.831 -14.057
48 HD13 ILE 451 HD13 ILE 451 14.909 -1.609 -15.221
49 H ILE 452 HN ILE 452 19.029 -2.900 -12.871
50 HA ILE 452 HA ILE 452 19.493 -4.237 -10.492
51 HB ILE 452 HB ILE 452 20.194 -4.932 -12.840
52 HG12 ILE 452 HG12 ILE 452 22.050 -5.152 -10.458
53 HG13 ILE 452 HG11 ILE 452 20.849 -6.322 -11.006
54 HG21 ILE 452 HG21 ILE 452 22.251 -4.159 -13.721
55 HG22 ILE 452 HG22 ILE 452 22.736 -3.439 -12.185
56 HG23 ILE 452 HG23 ILE 452 21.455 -2.694 -13.143
57 HD11 ILE 452 HD11 ILE 452 23.574 -5.762 -12.075
58 HD12 ILE 452 HD12 ILE 452 22.322 -6.184 -13.244
59 HD13 ILE 452 HD13 ILE 452 22.715 -7.295 -11.933
60 H ALA 453 HN ALA 453 21.179 -1.431 -11.835
61 HA ALA 453 HA ALA 453 23.282 -1.270 -9.989
62 HB1 ALA 453 HB1 ALA 453 21.873 0.675 -11.764
63 HB2 ALA 453 HB2 ALA 453 23.573 0.207 -11.735
64 HB3 ALA 453 HB3 ALA 453 22.940 1.311 -10.512
65 H TYR 454 HN TYR 454 19.909 -0.444 -9.737
66 HA TYR 454 HA TYR 454 20.355 0.789 -7.098
67 HB2 TYR 454 HB2 TYR 454 18.228 1.006 -9.178
68 HB3 TYR 454 HB1 TYR 454 17.746 1.205 -7.493
69 HD1 TYR 454 HD1 TYR 454 19.912 2.521 -10.190
70 HD2 TYR 454 HD2 TYR 454 18.463 3.102 -6.188
71 HE1 TYR 454 HE1 TYR 454 20.826 4.827 -10.194
72 HE2 TYR 454 HE2 TYR 454 19.377 5.407 -6.193
73 HH TYR 454 HH TYR 454 21.140 6.682 -7.369
74 H GLY 455 HN GLY 455 20.557 -2.093 -7.644
75 HA2 GLY 455 HA2 GLY 455 19.703 -4.133 -6.932
76 HA3 GLY 455 HA1 GLY 455 19.546 -3.246 -5.419
77 H GLY 456 HN GLY 456 17.727 -2.320 -8.243
78 HA2 GLY 456 HA2 GLY 456 15.446 -2.095 -8.527
79 HA3 GLY 456 HA1 GLY 456 15.436 -3.810 -8.127
80 H LEU 457 HN LEU 457 16.532 -1.449 -5.798
81 HA LEU 457 HA LEU 457 14.727 -2.330 -3.814
82 HB2 LEU 457 HB2 LEU 457 15.499 -0.343 -2.525
83 HB3 LEU 457 HB1 LEU 457 16.823 -1.304 -3.176
84 HG LEU 457 HG LEU 457 16.395 0.462 -5.230
85 HD11 LEU 457 HD11 LEU 457 16.217 2.162 -2.751
86 HD12 LEU 457 HD12 LEU 457 14.752 1.601 -3.552
87 HD13 LEU 457 HD13 LEU 457 15.898 2.613 -4.426
88 HD21 LEU 457 HD21 LEU 457 18.411 1.610 -4.379
89 HD22 LEU 457 HD22 LEU 457 18.565 -0.136 -4.197
90 HD23 LEU 457 HD23 LEU 457 18.171 0.863 -2.800
91 H ARG 458 HN ARG 458 14.716 0.554 -5.882
92 HA ARG 458 HA ARG 458 13.099 2.222 -6.096
93 HB2 ARG 458 HB2 ARG 458 11.919 -0.435 -6.798
94 HB3 ARG 458 HB1 ARG 458 10.889 0.996 -6.848
95 HG2 ARG 458 HG2 ARG 458 11.958 0.570 -9.043
96 HG3 ARG 458 HG1 ARG 458 12.478 2.110 -8.357
97 HD2 ARG 458 HD2 ARG 458 14.086 -0.329 -7.720
98 HD3 ARG 458 HD1 ARG 458 14.241 0.368 -9.330
99 HE ARG 458 HE ARG 458 15.165 1.539 -6.840
100 HH11 ARG 458 HH21 ARG 458 14.230 2.032 -10.136
101 HH12 ARG 458 HH22 ARG 458 15.123 3.505 -10.313
102 HH21 ARG 458 HH11 ARG 458 16.337 3.472 -7.065
103 HH22 ARG 458 HH12 ARG 458 16.314 4.321 -8.575
104 H GLY 459 HN GLY 459 13.264 2.539 -3.639
105 HA2 GLY 459 HA2 GLY 459 10.567 2.173 -2.476
106 HA3 GLY 459 HA1 GLY 459 12.021 1.920 -1.516
107 H ALA 460 HN ALA 460 12.949 4.296 -3.473
108 HA ALA 460 HA ALA 460 12.146 6.391 -1.559
109 HB1 ALA 460 HB1 ALA 460 14.502 6.134 -3.427
110 HB2 ALA 460 HB2 ALA 460 14.519 6.204 -1.665
111 HB3 ALA 460 HB3 ALA 460 14.100 7.638 -2.600
112 H ILE 461 HN ILE 461 12.808 6.010 -5.047
113 HA ILE 461 HA ILE 461 11.734 8.389 -5.953
114 HB ILE 461 HB ILE 461 11.956 5.651 -7.165
115 HG12 ILE 461 HG12 ILE 461 13.505 6.856 -8.661
116 HG13 ILE 461 HG11 ILE 461 13.108 8.374 -7.854
117 HG21 ILE 461 HG21 ILE 461 9.977 6.338 -8.240
118 HG22 ILE 461 HG22 ILE 461 11.239 6.904 -9.332
119 HG23 ILE 461 HG23 ILE 461 10.453 8.037 -8.232
120 HD11 ILE 461 HD11 ILE 461 15.245 7.210 -7.063
121 HD12 ILE 461 HD12 ILE 461 14.194 5.986 -6.352
122 HD13 ILE 461 HD13 ILE 461 14.095 7.659 -5.804
123 H ALA 462 HN ALA 462 10.078 5.371 -5.149
124 HA ALA 462 HA ALA 462 7.520 6.032 -6.109
125 HB1 ALA 462 HB1 ALA 462 7.741 3.795 -5.515
126 HB2 ALA 462 HB2 ALA 462 6.814 4.432 -4.157
127 HB3 ALA 462 HB3 ALA 462 8.551 4.171 -3.996
128 H PHE 463 HN PHE 463 9.228 6.962 -3.206
129 HA PHE 463 HA PHE 463 6.861 8.075 -1.941
130 HB2 PHE 463 HB2 PHE 463 8.144 7.654 -0.149
131 HB3 PHE 463 HB1 PHE 463 9.578 7.430 -1.151
132 HD1 PHE 463 HD2 PHE 463 7.452 9.981 0.526
133 HD2 PHE 463 HD1 PHE 463 11.198 9.164 -1.414
134 HE1 PHE 463 HE2 PHE 463 8.311 12.189 1.254
135 HE2 PHE 463 HE1 PHE 463 12.057 11.374 -0.684
136 HZ PHE 463 HZ PHE 463 10.615 12.886 0.649
137 H SER 464 HN SER 464 9.839 9.279 -3.462
138 HA SER 464 HA SER 464 9.405 12.019 -3.074
139 HB2 SER 464 HB2 SER 464 10.699 10.847 -5.533
140 HB3 SER 464 HB1 SER 464 11.052 12.380 -4.742
141 HG SER 464 HG SER 464 11.478 10.823 -2.851
142 H LEU 465 HN LEU 465 7.965 9.767 -5.298
143 HA LEU 465 HA LEU 465 6.873 11.828 -7.027
144 HB2 LEU 465 HB2 LEU 465 7.006 8.890 -7.003
145 HB3 LEU 465 HB1 LEU 465 5.492 9.540 -7.629
146 HG LEU 465 HG LEU 465 6.722 10.952 -9.209
147 HD11 LEU 465 HD11 LEU 465 8.799 11.558 -8.540
148 HD12 LEU 465 HD12 LEU 465 9.322 10.010 -9.206
149 HD13 LEU 465 HD13 LEU 465 8.958 10.154 -7.485
150 HD21 LEU 465 HD21 LEU 465 7.716 8.084 -9.253
151 HD22 LEU 465 HD22 LEU 465 7.636 9.174 -10.638
152 HD23 LEU 465 HD23 LEU 465 6.151 8.623 -9.862
153 H GLY 466 HN GLY 466 5.657 9.563 -4.573
154 HA2 GLY 466 HA2 GLY 466 2.970 10.638 -4.715
155 HA3 GLY 466 HA1 GLY 466 3.546 9.400 -3.602
156 H TYR 467 HN TYR 467 5.750 11.834 -3.467
157 HA TYR 467 HA TYR 467 4.800 12.734 -0.891
158 HB2 TYR 467 HB2 TYR 467 7.060 12.707 -0.724
159 HB3 TYR 467 HB1 TYR 467 7.290 12.913 -2.461
160 HD1 TYR 467 HD2 TYR 467 6.118 14.790 0.565
161 HD2 TYR 467 HD1 TYR 467 8.010 14.986 -3.286
162 HE1 TYR 467 HE2 TYR 467 6.586 17.200 0.917
163 HE2 TYR 467 HE1 TYR 467 8.478 17.395 -2.934
164 HH TYR 467 HH TYR 467 7.241 19.295 -1.366
165 H LEU 468 HN LEU 468 4.934 13.979 -4.163
166 HA LEU 468 HA LEU 468 4.407 16.702 -3.515
167 HB2 LEU 468 HB2 LEU 468 3.881 15.197 -6.088
168 HB3 LEU 468 HB1 LEU 468 3.908 16.951 -5.903
169 HG LEU 468 HG LEU 468 6.314 16.162 -4.773
170 HD11 LEU 468 HD11 LEU 468 5.802 14.546 -7.289
171 HD12 LEU 468 HD12 LEU 468 5.976 13.878 -5.666
172 HD13 LEU 468 HD13 LEU 468 7.344 14.674 -6.443
173 HD21 LEU 468 HD21 LEU 468 5.732 17.017 -7.626
174 HD22 LEU 468 HD22 LEU 468 7.296 17.145 -6.822
175 HD23 LEU 468 HD23 LEU 468 5.929 18.098 -6.249
176 H LEU 469 HN LEU 469 2.237 14.626 -5.411
177 HA LEU 469 HA LEU 469 -0.100 15.993 -4.987
178 HB2 LEU 469 HB2 LEU 469 -1.286 13.956 -5.541
179 HB3 LEU 469 HB1 LEU 469 0.183 14.036 -6.512
180 HG LEU 469 HG LEU 469 1.040 12.744 -4.219
181 HD11 LEU 469 HD11 LEU 469 -0.607 10.947 -3.837
182 HD12 LEU 469 HD12 LEU 469 -1.717 11.718 -4.969
183 HD13 LEU 469 HD13 LEU 469 -1.303 12.523 -3.456
184 HD21 LEU 469 HD21 LEU 469 0.071 11.726 -6.901
185 HD22 LEU 469 HD22 LEU 469 0.850 10.673 -5.721
186 HD23 LEU 469 HD23 LEU 469 1.731 12.043 -6.396
187 H ASP 470 HN ASP 470 1.716 14.277 -2.669
188 HA ASP 470 HA ASP 470 -0.498 13.758 -0.867
189 HB2 ASP 470 HB2 ASP 470 1.225 12.184 -0.643
190 HB3 ASP 470 HB1 ASP 470 2.485 13.415 -0.714
191 H LYS 471 HN LYS 471 2.184 16.058 -1.130
192 HA LYS 471 HA LYS 471 1.095 17.567 1.156
193 HB2 LYS 471 HB2 LYS 471 3.760 17.712 -0.271
194 HB3 LYS 471 HB1 LYS 471 3.266 18.813 1.017
195 HG2 LYS 471 HG2 LYS 471 2.785 16.078 1.817
196 HG3 LYS 471 HG1 LYS 471 4.464 16.277 1.318
197 HD2 LYS 471 HD2 LYS 471 4.670 18.237 2.817
198 HD3 LYS 471 HD1 LYS 471 3.002 18.000 3.339
199 HE2 LYS 471 HE2 LYS 471 4.108 15.488 3.680
200 HE3 LYS 471 HE1 LYS 471 5.426 16.562 4.145
201 HZ1 LYS 471 HZ1 LYS 471 4.132 16.188 6.067
202 HZ2 LYS 471 HZ2 LYS 471 2.676 16.490 5.245
203 HZ3 LYS 471 HZ3 LYS 471 3.762 17.760 5.550
204 H LYS 472 HN LYS 472 2.299 18.077 -2.162
205 HA LYS 472 HA LYS 472 1.344 20.770 -2.311
206 HB2 LYS 472 HB2 LYS 472 2.209 18.824 -4.462
207 HB3 LYS 472 HB1 LYS 472 1.844 20.527 -4.746
208 HG2 LYS 472 HG2 LYS 472 3.773 19.868 -2.564
209 HG3 LYS 472 HG1 LYS 472 4.332 19.711 -4.229
210 HD2 LYS 472 HD2 LYS 472 2.854 22.192 -3.413
211 HD3 LYS 472 HD1 LYS 472 4.558 22.024 -2.986
212 HE2 LYS 472 HE2 LYS 472 3.764 21.384 -5.792
213 HE3 LYS 472 HE1 LYS 472 3.806 23.082 -5.320
214 HZ1 LYS 472 HZ1 LYS 472 5.955 21.439 -5.974
215 HZ2 LYS 472 HZ2 LYS 472 6.088 21.783 -4.315
216 HZ3 LYS 472 HZ3 LYS 472 6.002 23.050 -5.445
217 HN1 NH2 473 H1 NH2 473 0.345 18.688 -4.947
218 HN2 NH2 473 H2 NH2 473 -1.325 18.862 -4.698