Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538095 | 2le7 RC | 17699 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 532 H1 LEU 532 2.374 -0.049 0.550
2 H2 LEU 532 H2 LEU 532 1.620 -1.455 0.192
3 H3 LEU 532 H3 LEU 532 0.895 -0.037 -0.104
4 HA LEU 532 HA LEU 532 2.537 0.553 -1.819
5 HB2 LEU 532 2HB LEU 532 4.083 -1.334 -0.427
6 HB3 LEU 532 HB3 LEU 532 3.691 -2.248 -1.855
7 HG LEU 532 HG LEU 532 5.846 -1.199 -2.071
8 HD11 LEU 532 1HD1 LEU 532 4.382 -1.325 -4.133
9 HD12 LEU 532 2HD1 LEU 532 5.677 -0.131 -4.212
10 HD13 LEU 532 3HD1 LEU 532 4.018 0.393 -3.911
11 HD21 LEU 532 3HD2 LEU 532 6.265 1.195 -1.992
12 HD22 LEU 532 1HD2 LEU 532 5.492 0.706 -0.491
13 HD23 LEU 532 2HD2 LEU 532 4.561 1.566 -1.740
14 H VAL 533 H VAL 533 2.239 0.022 -4.066
15 HA VAL 533 HA VAL 533 -0.184 -1.319 -4.823
16 HB VAL 533 HB VAL 533 2.204 -0.591 -6.581
17 HG11 VAL 533 1HG1 VAL 533 0.788 -2.140 -7.825
18 HG12 VAL 533 2HG1 VAL 533 -0.692 -1.336 -7.291
19 HG13 VAL 533 3HG1 VAL 533 0.406 -0.534 -8.427
20 HG21 VAL 533 3HG2 VAL 533 0.907 1.468 -7.163
21 HG22 VAL 533 1HG2 VAL 533 -0.330 1.019 -5.980
22 HG23 VAL 533 2HG2 VAL 533 1.303 1.433 -5.445
23 H ARG 534 H ARG 534 -0.505 -3.209 -5.901
24 HA ARG 534 HA ARG 534 1.161 -5.412 -4.840
25 HB2 ARG 534 2HB ARG 534 -1.586 -5.435 -6.210
26 HB3 ARG 534 HB3 ARG 534 -0.765 -6.836 -5.540
27 HG2 ARG 534 2HG ARG 534 -2.271 -6.264 -3.879
28 HG3 ARG 534 HG3 ARG 534 -0.754 -5.651 -3.253
29 HD2 ARG 534 2HD ARG 534 -1.425 -3.323 -3.776
30 HD3 ARG 534 HD3 ARG 534 -2.755 -3.870 -4.767
31 HE ARG 534 HE ARG 534 -4.025 -4.386 -2.890
32 HH11 ARG 534 1HH1 ARG 534 -0.860 -3.183 -1.753
33 HH12 ARG 534 2HH1 ARG 534 -1.383 -3.211 -0.096
34 HH21 ARG 534 1HH2 ARG 534 -4.607 -4.310 -0.748
35 HH22 ARG 534 2HH2 ARG 534 -3.468 -3.796 0.456
36 H VAL 535 H VAL 535 -0.209 -4.511 -7.991
37 HA VAL 535 HA VAL 535 0.963 -6.646 -9.467
38 HB VAL 535 HB VAL 535 -0.082 -3.955 -10.465
39 HG11 VAL 535 1HG1 VAL 535 -0.442 -5.115 -12.667
40 HG12 VAL 535 2HG1 VAL 535 1.259 -4.958 -12.275
41 HG13 VAL 535 3HG1 VAL 535 0.441 -6.519 -12.054
42 HG21 VAL 535 3HG2 VAL 535 -2.190 -5.259 -10.979
43 HG22 VAL 535 1HG2 VAL 535 -1.477 -6.678 -10.208
44 HG23 VAL 535 2HG2 VAL 535 -1.841 -5.230 -9.253
45 H ALA 536 H ALA 536 2.209 -3.391 -8.725
46 HA ALA 536 HA ALA 536 4.834 -4.091 -9.947
47 HB1 ALA 536 3HB ALA 536 3.238 -1.496 -10.356
48 HB2 ALA 536 1HB ALA 536 4.890 -1.797 -10.940
49 HB3 ALA 536 2HB ALA 536 3.521 -2.722 -11.599
50 H ARG 537 H ARG 537 6.502 -3.441 -8.799
51 HA ARG 537 HA ARG 537 6.199 -1.506 -6.536
52 HB2 ARG 537 2HB ARG 537 7.655 -4.213 -6.306
53 HB3 ARG 537 HB3 ARG 537 7.689 -2.900 -5.140
54 HG2 ARG 537 2HG ARG 537 6.074 -4.195 -4.137
55 HG3 ARG 537 HG3 ARG 537 5.055 -3.156 -5.108
56 HD2 ARG 537 2HD ARG 537 4.251 -5.432 -5.231
57 HD3 ARG 537 HD3 ARG 537 4.812 -4.959 -6.826
58 HE ARG 537 HE ARG 537 6.933 -6.246 -5.382
59 HH11 ARG 537 1HH1 ARG 537 3.839 -7.147 -6.893
60 HH12 ARG 537 2HH1 ARG 537 4.406 -8.738 -7.289
61 HH21 ARG 537 1HH2 ARG 537 7.565 -8.325 -5.919
62 HH22 ARG 537 2HH2 ARG 537 6.455 -9.402 -6.711
63 H LYS 538 H LYS 538 8.560 -3.570 -8.238
64 HA LYS 538 HA LYS 538 10.800 -1.951 -7.969
65 HB2 LYS 538 2HB LYS 538 11.850 -3.293 -9.690
66 HB3 LYS 538 HB3 LYS 538 10.949 -4.286 -8.563
67 HG2 LYS 538 2HG LYS 538 9.053 -4.432 -10.251
68 HG3 LYS 538 HG3 LYS 538 10.049 -3.520 -11.392
69 HD2 LYS 538 2HD LYS 538 11.819 -5.295 -11.297
70 HD3 LYS 538 HD3 LYS 538 10.854 -6.187 -10.136
71 HE2 LYS 538 2HE LYS 538 10.495 -7.210 -12.317
72 HE3 LYS 538 HE3 LYS 538 8.988 -6.391 -11.876
73 HZ1 LYS 538 3HZ LYS 538 9.643 -5.927 -14.183
74 HZ2 LYS 538 1HZ LYS 538 11.073 -5.282 -13.720
75 HZ3 LYS 538 2HZ LYS 538 9.665 -4.534 -13.334
76 H LEU 539 H LEU 539 11.574 -0.192 -8.838
77 HA LEU 539 HA LEU 539 11.756 1.773 -9.955
78 HB2 LEU 539 2HB LEU 539 10.583 0.340 -12.394
79 HB3 LEU 539 HB3 LEU 539 11.560 1.785 -12.395
80 HG LEU 539 HG LEU 539 12.565 -0.982 -11.541
81 HD11 LEU 539 1HD1 LEU 539 13.116 0.623 -14.086
82 HD12 LEU 539 2HD1 LEU 539 12.102 -0.827 -13.976
83 HD13 LEU 539 3HD1 LEU 539 13.838 -0.934 -13.658
84 HD21 LEU 539 3HD2 LEU 539 13.818 0.792 -10.343
85 HD22 LEU 539 1HD2 LEU 539 14.066 1.673 -11.858
86 HD23 LEU 539 2HD2 LEU 539 14.832 0.095 -11.603
87 H ASP 540 H ASP 540 9.198 1.114 -8.559
88 HA ASP 540 HA ASP 540 7.256 2.784 -10.091
89 HB2 ASP 540 2HB ASP 540 7.114 0.023 -9.556
90 HB3 ASP 540 HB3 ASP 540 6.088 0.640 -8.317
91 H ARG 541 H ARG 541 6.867 1.470 -6.847
92 HA ARG 541 HA ARG 541 6.334 4.250 -5.840
93 HB2 ARG 541 2HB ARG 541 4.837 1.656 -5.629
94 HB3 ARG 541 HB3 ARG 541 4.910 2.642 -4.184
95 HG2 ARG 541 2HG ARG 541 2.930 3.289 -5.221
96 HG3 ARG 541 HG3 ARG 541 4.033 4.605 -5.559
97 HD2 ARG 541 2HD ARG 541 4.397 3.705 -7.877
98 HD3 ARG 541 HD3 ARG 541 3.378 2.310 -7.488
99 HE ARG 541 HE ARG 541 2.009 4.826 -7.017
100 HH11 ARG 541 1HH1 ARG 541 2.873 2.643 -9.675
101 HH12 ARG 541 2HH1 ARG 541 1.515 3.166 -10.644
102 HH21 ARG 541 1HH2 ARG 541 0.293 5.445 -8.322
103 HH22 ARG 541 2HH2 ARG 541 0.094 4.727 -9.893
104 H TYR 542 H TYR 542 7.426 0.966 -4.792
105 HA TYR 542 HA TYR 542 8.503 1.823 -2.299
106 HB2 TYR 542 2HB TYR 542 9.044 -0.342 -2.080
107 HB3 TYR 542 HB3 TYR 542 8.171 -0.593 -3.576
108 HD1 TYR 542 HD2 TYR 542 9.909 0.179 -5.714
109 HD2 TYR 542 HD1 TYR 542 10.960 -1.689 -1.982
110 HE1 TYR 542 HE2 TYR 542 11.970 -0.630 -6.740
111 HE2 TYR 542 HE1 TYR 542 13.052 -2.561 -3.012
112 HH TYR 542 HH TYR 542 13.940 -1.853 -6.426
113 H SER 543 H SER 543 9.658 2.358 -5.456
114 HA SER 543 HA SER 543 12.393 3.041 -5.120
115 HB2 SER 543 2HB SER 543 10.079 3.878 -6.957
116 HB3 SER 543 HB3 SER 543 11.664 4.594 -7.123
117 HG SER 543 HG SER 543 12.523 2.516 -7.545
118 H GLU 544 H GLU 544 9.417 5.105 -4.931
119 HA GLU 544 HA GLU 544 11.090 7.465 -4.348
120 HB2 GLU 544 2HB GLU 544 8.989 8.690 -4.121
121 HB3 GLU 544 HB3 GLU 544 9.242 7.942 -5.707
122 HG2 GLU 544 2HG GLU 544 7.628 6.187 -5.190
123 HG3 GLU 544 HG3 GLU 544 7.442 6.743 -3.535
124 H TYR 545 H TYR 545 8.828 5.382 -2.585
125 HA TYR 545 HA TYR 545 9.090 6.854 -0.099
126 HB2 TYR 545 2HB TYR 545 8.280 3.933 -0.528
127 HB3 TYR 545 HB3 TYR 545 8.024 4.858 0.937
128 HD1 TYR 545 HD1 TYR 545 6.746 7.265 0.479
129 HD2 TYR 545 HD2 TYR 545 6.431 3.699 -1.906
130 HE1 TYR 545 HE1 TYR 545 4.625 8.114 -0.499
131 HE2 TYR 545 HE2 TYR 545 4.398 4.596 -2.995
132 HH TYR 545 HH TYR 545 2.849 6.290 -3.038
133 H GLY 546 H GLY 546 10.656 3.910 -1.375
134 HA2 GLY 546 2HA GLY 546 12.288 3.333 0.805
135 HA3 GLY 546 HA3 GLY 546 12.682 2.909 -0.863
136 H ALA 547 H ALA 547 12.922 5.587 -1.832
137 HA ALA 547 HA ALA 547 15.627 6.116 -0.981
138 HB1 ALA 547 3HB ALA 547 15.600 7.750 -2.893
139 HB2 ALA 547 1HB ALA 547 14.941 6.174 -3.389
140 HB3 ALA 547 2HB ALA 547 13.845 7.521 -3.064
141 H ALA 548 H ALA 548 12.531 7.399 -0.143
142 HA ALA 548 HA ALA 548 13.653 9.833 1.145
143 HB1 ALA 548 3HB ALA 548 10.784 8.762 0.849
144 HB2 ALA 548 1HB ALA 548 11.232 10.325 1.527
145 HB3 ALA 548 2HB ALA 548 11.525 9.984 -0.184
146 H VAL 549 H VAL 549 12.806 6.625 1.951
147 HA VAL 549 HA VAL 549 12.609 7.314 4.848
148 HB VAL 549 HB VAL 549 11.478 4.943 3.277
149 HG11 VAL 549 1HG1 VAL 549 12.046 4.105 5.515
150 HG12 VAL 549 2HG1 VAL 549 11.266 5.493 6.295
151 HG13 VAL 549 3HG1 VAL 549 10.310 4.298 5.405
152 HG21 VAL 549 3HG2 VAL 549 9.265 5.901 3.845
153 HG22 VAL 549 1HG2 VAL 549 10.026 7.208 4.771
154 HG23 VAL 549 2HG2 VAL 549 10.212 7.137 3.020
155 H LEU 550 H LEU 550 14.241 5.166 2.561
156 HA LEU 550 HA LEU 550 15.692 3.825 4.761
157 HB2 LEU 550 2HB LEU 550 15.905 3.109 1.815
158 HB3 LEU 550 HB3 LEU 550 16.229 2.090 3.192
159 HG LEU 550 HG LEU 550 13.456 3.114 2.427
160 HD11 LEU 550 1HD1 LEU 550 14.400 1.702 0.623
161 HD12 LEU 550 2HD1 LEU 550 13.034 0.912 1.433
162 HD13 LEU 550 3HD1 LEU 550 14.704 0.406 1.795
163 HD21 LEU 550 3HD2 LEU 550 12.574 1.379 3.883
164 HD22 LEU 550 1HD2 LEU 550 13.622 2.477 4.793
165 HD23 LEU 550 2HD2 LEU 550 14.227 0.875 4.332
166 H PHE 551 H PHE 551 16.226 5.482 1.681
167 HA PHE 551 HA PHE 551 19.126 5.382 1.902
168 HB2 PHE 551 2HB PHE 551 17.801 5.368 -0.252
169 HB3 PHE 551 HB3 PHE 551 17.509 7.084 -0.010
170 HD1 PHE 551 HD1 PHE 551 20.184 4.528 -0.536
171 HD2 PHE 551 HD2 PHE 551 19.174 8.726 -0.588
172 HE1 PHE 551 HE1 PHE 551 22.320 5.018 -1.686
173 HE2 PHE 551 HE2 PHE 551 21.312 9.222 -1.749
174 HZ PHE 551 HZ PHE 551 22.888 7.371 -2.305
Start of MODEL 2
1 H1 LEU 532 H1 LEU 532 1.122 -2.208 -0.555
2 H2 LEU 532 H2 LEU 532 0.074 -0.986 -0.590
3 H3 LEU 532 H3 LEU 532 1.521 -0.779 0.130
4 HA LEU 532 HA LEU 532 1.559 0.352 -2.023
5 HB2 LEU 532 2HB LEU 532 3.496 -1.348 -1.004
6 HB3 LEU 532 HB3 LEU 532 3.214 -2.159 -2.517
7 HG LEU 532 HG LEU 532 3.715 0.100 -3.682
8 HD11 LEU 532 1HD1 LEU 532 5.094 1.697 -2.293
9 HD12 LEU 532 2HD1 LEU 532 4.628 0.809 -0.834
10 HD13 LEU 532 3HD1 LEU 532 3.405 1.672 -1.786
11 HD21 LEU 532 3HD2 LEU 532 6.150 -0.163 -3.451
12 HD22 LEU 532 1HD2 LEU 532 5.389 -1.746 -3.549
13 HD23 LEU 532 2HD2 LEU 532 5.949 -1.126 -1.986
14 H VAL 533 H VAL 533 1.979 -0.250 -4.519
15 HA VAL 533 HA VAL 533 -0.450 -1.461 -5.576
16 HB VAL 533 HB VAL 533 2.069 -0.638 -7.081
17 HG11 VAL 533 1HG1 VAL 533 0.844 -2.178 -8.495
18 HG12 VAL 533 2HG1 VAL 533 -0.714 -1.446 -8.071
19 HG13 VAL 533 3HG1 VAL 533 0.455 -0.562 -9.069
20 HG21 VAL 533 3HG2 VAL 533 0.931 1.308 -5.923
21 HG22 VAL 533 1HG2 VAL 533 0.772 1.412 -7.682
22 HG23 VAL 533 2HG2 VAL 533 -0.593 0.869 -6.689
23 H ARG 534 H ARG 534 -0.645 -3.315 -6.739
24 HA ARG 534 HA ARG 534 0.889 -5.559 -5.629
25 HB2 ARG 534 2HB ARG 534 -1.686 -5.503 -7.300
26 HB3 ARG 534 HB3 ARG 534 -0.929 -6.943 -6.657
27 HG2 ARG 534 2HG ARG 534 -2.640 -6.470 -5.153
28 HG3 ARG 534 HG3 ARG 534 -1.180 -5.992 -4.308
29 HD2 ARG 534 2HD ARG 534 -1.695 -3.607 -4.682
30 HD3 ARG 534 HD3 ARG 534 -2.981 -4.014 -5.822
31 HE ARG 534 HE ARG 534 -3.511 -5.266 -3.311
32 HH11 ARG 534 1HH1 ARG 534 -3.549 -2.005 -4.687
33 HH12 ARG 534 2HH1 ARG 534 -4.729 -1.434 -3.548
34 HH21 ARG 534 1HH2 ARG 534 -5.041 -4.468 -1.874
35 HH22 ARG 534 2HH2 ARG 534 -5.567 -2.819 -1.992
36 H VAL 535 H VAL 535 -0.190 -4.607 -8.877
37 HA VAL 535 HA VAL 535 1.297 -6.629 -10.236
38 HB VAL 535 HB VAL 535 0.613 -5.520 -12.344
39 HG11 VAL 535 1HG1 VAL 535 -0.983 -7.016 -11.153
40 HG12 VAL 535 2HG1 VAL 535 -1.692 -5.622 -10.323
41 HG13 VAL 535 3HG1 VAL 535 -1.800 -5.770 -12.083
42 HG21 VAL 535 3HG2 VAL 535 -0.756 -3.454 -12.342
43 HG22 VAL 535 1HG2 VAL 535 -0.547 -3.260 -10.599
44 HG23 VAL 535 2HG2 VAL 535 0.842 -3.115 -11.691
45 H ALA 536 H ALA 536 2.394 -3.510 -9.150
46 HA ALA 536 HA ALA 536 5.021 -3.976 -10.362
47 HB1 ALA 536 3HB ALA 536 5.055 -1.679 -11.321
48 HB2 ALA 536 1HB ALA 536 3.765 -2.611 -12.082
49 HB3 ALA 536 2HB ALA 536 3.368 -1.408 -10.841
50 H ARG 537 H ARG 537 6.604 -3.154 -9.182
51 HA ARG 537 HA ARG 537 6.106 -1.365 -6.851
52 HB2 ARG 537 2HB ARG 537 7.547 -4.084 -6.629
53 HB3 ARG 537 HB3 ARG 537 7.579 -2.839 -5.435
54 HG2 ARG 537 2HG ARG 537 5.885 -4.068 -4.516
55 HG3 ARG 537 HG3 ARG 537 4.911 -3.021 -5.526
56 HD2 ARG 537 2HD ARG 537 4.108 -5.297 -5.707
57 HD3 ARG 537 HD3 ARG 537 4.795 -4.855 -7.269
58 HE ARG 537 HE ARG 537 6.801 -6.114 -5.645
59 HH11 ARG 537 1HH1 ARG 537 3.851 -7.043 -7.399
60 HH12 ARG 537 2HH1 ARG 537 4.450 -8.641 -7.697
61 HH21 ARG 537 1HH2 ARG 537 7.493 -8.190 -6.104
62 HH22 ARG 537 2HH2 ARG 537 6.450 -9.289 -6.953
63 H LYS 538 H LYS 538 8.551 -3.293 -8.578
64 HA LYS 538 HA LYS 538 10.711 -1.552 -7.973
65 HB2 LYS 538 2HB LYS 538 10.458 -3.811 -10.004
66 HB3 LYS 538 HB3 LYS 538 11.959 -2.974 -9.662
67 HG2 LYS 538 2HG LYS 538 11.799 -3.609 -7.242
68 HG3 LYS 538 HG3 LYS 538 10.349 -4.550 -7.587
69 HD2 LYS 538 2HD LYS 538 11.652 -5.976 -9.181
70 HD3 LYS 538 HD3 LYS 538 13.099 -5.018 -8.861
71 HE2 LYS 538 2HE LYS 538 13.025 -5.691 -6.429
72 HE3 LYS 538 HE3 LYS 538 11.580 -6.661 -6.743
73 HZ1 LYS 538 3HZ LYS 538 12.906 -8.013 -8.304
74 HZ2 LYS 538 1HZ LYS 538 13.603 -8.023 -6.825
75 HZ3 LYS 538 2HZ LYS 538 14.244 -7.113 -8.015
76 H LEU 539 H LEU 539 11.581 0.114 -8.914
77 HA LEU 539 HA LEU 539 11.825 1.986 -10.141
78 HB2 LEU 539 2HB LEU 539 10.829 0.421 -12.572
79 HB3 LEU 539 HB3 LEU 539 11.757 1.913 -12.596
80 HG LEU 539 HG LEU 539 12.793 -0.788 -11.571
81 HD11 LEU 539 1HD1 LEU 539 13.399 0.703 -14.171
82 HD12 LEU 539 2HD1 LEU 539 12.429 -0.770 -14.016
83 HD13 LEU 539 3HD1 LEU 539 14.147 -0.815 -13.639
84 HD21 LEU 539 3HD2 LEU 539 15.037 0.344 -11.580
85 HD22 LEU 539 1HD2 LEU 539 13.948 1.090 -10.421
86 HD23 LEU 539 2HD2 LEU 539 14.265 1.885 -11.975
87 H ASP 540 H ASP 540 9.364 1.391 -8.762
88 HA ASP 540 HA ASP 540 7.357 2.990 -10.303
89 HB2 ASP 540 2HB ASP 540 7.357 0.104 -9.621
90 HB3 ASP 540 HB3 ASP 540 5.903 0.870 -9.025
91 H ARG 541 H ARG 541 7.483 1.341 -7.084
92 HA ARG 541 HA ARG 541 6.354 3.851 -5.882
93 HB2 ARG 541 2HB ARG 541 5.348 0.980 -5.646
94 HB3 ARG 541 HB3 ARG 541 4.878 2.242 -4.533
95 HG2 ARG 541 2HG ARG 541 4.313 2.229 -7.535
96 HG3 ARG 541 HG3 ARG 541 3.168 1.940 -6.236
97 HD2 ARG 541 2HD ARG 541 3.652 4.333 -5.397
98 HD3 ARG 541 HD3 ARG 541 4.564 4.570 -6.894
99 HE ARG 541 HE ARG 541 1.922 3.584 -7.455
100 HH11 ARG 541 1HH1 ARG 541 3.687 6.575 -6.631
101 HH12 ARG 541 2HH1 ARG 541 2.415 7.583 -7.246
102 HH21 ARG 541 1HH2 ARG 541 0.354 4.965 -8.271
103 HH22 ARG 541 2HH2 ARG 541 0.570 6.686 -8.185
104 H TYR 542 H TYR 542 7.669 0.654 -4.901
105 HA TYR 542 HA TYR 542 8.594 1.565 -2.377
106 HB2 TYR 542 2HB TYR 542 9.254 -0.543 -2.121
107 HB3 TYR 542 HB3 TYR 542 8.432 -0.849 -3.620
108 HD1 TYR 542 HD2 TYR 542 10.118 -0.059 -5.749
109 HD2 TYR 542 HD1 TYR 542 11.278 -1.777 -1.974
110 HE1 TYR 542 HE2 TYR 542 12.198 -0.815 -6.760
111 HE2 TYR 542 HE1 TYR 542 13.389 -2.582 -2.994
112 HH TYR 542 HH TYR 542 14.691 -2.672 -4.920
113 H SER 543 H SER 543 9.781 2.153 -5.457
114 HA SER 543 HA SER 543 12.467 3.021 -5.123
115 HB2 SER 543 2HB SER 543 10.143 3.733 -6.996
116 HB3 SER 543 HB3 SER 543 11.723 4.430 -7.188
117 HG SER 543 HG SER 543 12.568 2.327 -7.545
118 H GLU 544 H GLU 544 9.372 4.913 -5.115
119 HA GLU 544 HA GLU 544 10.848 7.372 -4.626
120 HB2 GLU 544 2HB GLU 544 8.636 8.424 -4.439
121 HB3 GLU 544 HB3 GLU 544 8.945 7.619 -5.996
122 HG2 GLU 544 2HG GLU 544 7.503 5.749 -5.364
123 HG3 GLU 544 HG3 GLU 544 7.288 6.379 -3.739
124 H TYR 545 H TYR 545 8.806 5.183 -2.734
125 HA TYR 545 HA TYR 545 8.951 6.832 -0.322
126 HB2 TYR 545 2HB TYR 545 8.283 3.851 -0.575
127 HB3 TYR 545 HB3 TYR 545 7.910 4.885 0.793
128 HD1 TYR 545 HD1 TYR 545 6.508 7.190 -0.017
129 HD2 TYR 545 HD2 TYR 545 6.541 3.346 -1.950
130 HE1 TYR 545 HE1 TYR 545 4.412 7.774 -1.211
131 HE2 TYR 545 HE2 TYR 545 4.487 3.933 -3.193
132 HH TYR 545 HH TYR 545 2.815 7.096 -2.737
133 H GLY 546 H GLY 546 10.597 3.827 -1.411
134 HA2 GLY 546 2HA GLY 546 12.180 3.420 0.816
135 HA3 GLY 546 HA3 GLY 546 12.645 2.918 -0.818
136 H ALA 547 H ALA 547 12.862 5.572 -1.889
137 HA ALA 547 HA ALA 547 15.556 6.176 -1.006
138 HB1 ALA 547 3HB ALA 547 14.914 6.151 -3.435
139 HB2 ALA 547 1HB ALA 547 13.793 7.496 -3.157
140 HB3 ALA 547 2HB ALA 547 15.535 7.734 -2.974
141 H ALA 548 H ALA 548 12.440 7.388 -0.219
142 HA ALA 548 HA ALA 548 13.505 9.877 1.032
143 HB1 ALA 548 3HB ALA 548 10.646 8.801 0.689
144 HB2 ALA 548 1HB ALA 548 11.084 10.412 1.276
145 HB3 ALA 548 2HB ALA 548 11.419 9.971 -0.399
146 H VAL 549 H VAL 549 12.670 6.672 1.854
147 HA VAL 549 HA VAL 549 12.343 7.392 4.734
148 HB VAL 549 HB VAL 549 11.323 5.006 3.118
149 HG11 VAL 549 1HG1 VAL 549 10.115 4.295 5.189
150 HG12 VAL 549 2HG1 VAL 549 11.853 4.160 5.383
151 HG13 VAL 549 3HG1 VAL 549 10.999 5.526 6.118
152 HG21 VAL 549 3HG2 VAL 549 9.779 7.231 4.582
153 HG22 VAL 549 1HG2 VAL 549 10.017 7.170 2.836
154 HG23 VAL 549 2HG2 VAL 549 9.076 5.912 3.639
155 H LEU 550 H LEU 550 14.118 5.278 2.542
156 HA LEU 550 HA LEU 550 15.543 4.000 4.799
157 HB2 LEU 550 2HB LEU 550 15.834 3.238 1.871
158 HB3 LEU 550 HB3 LEU 550 16.150 2.246 3.268
159 HG LEU 550 HG LEU 550 13.371 3.198 2.430
160 HD11 LEU 550 1HD1 LEU 550 13.014 0.972 1.477
161 HD12 LEU 550 2HD1 LEU 550 14.676 0.500 1.867
162 HD13 LEU 550 3HD1 LEU 550 14.373 1.771 0.674
163 HD21 LEU 550 3HD2 LEU 550 12.511 1.466 3.920
164 HD22 LEU 550 1HD2 LEU 550 13.531 2.609 4.817
165 HD23 LEU 550 2HD2 LEU 550 14.166 1.004 4.373
166 H PHE 551 H PHE 551 16.086 5.625 1.705
167 HA PHE 551 HA PHE 551 19.002 5.634 2.013
168 HB2 PHE 551 2HB PHE 551 17.724 5.504 -0.179
169 HB3 PHE 551 HB3 PHE 551 17.345 7.202 0.003
170 HD1 PHE 551 HD2 PHE 551 20.133 4.757 -0.391
171 HD2 PHE 551 HD1 PHE 551 18.965 8.912 -0.565
172 HE1 PHE 551 HE2 PHE 551 22.292 5.330 -1.491
173 HE2 PHE 551 HE1 PHE 551 21.115 9.466 -1.664
174 HZ PHE 551 HZ PHE 551 22.784 7.681 -2.134
Start of MODEL 3
1 H1 LEU 532 H1 LEU 532 0.150 2.180 -0.680
2 H2 LEU 532 H2 LEU 532 1.480 2.276 0.246
3 H3 LEU 532 H3 LEU 532 0.657 0.872 0.117
4 HA LEU 532 HA LEU 532 2.095 2.181 -2.133
5 HB2 LEU 532 2HB LEU 532 3.354 1.053 -0.090
6 HB3 LEU 532 HB3 LEU 532 2.926 -0.473 -0.816
7 HG LEU 532 HG LEU 532 4.462 1.731 -2.301
8 HD11 LEU 532 1HD1 LEU 532 6.563 0.599 -1.602
9 HD12 LEU 532 2HD1 LEU 532 5.632 -0.501 -0.575
10 HD13 LEU 532 3HD1 LEU 532 5.686 1.235 -0.221
11 HD21 LEU 532 3HD2 LEU 532 5.433 -0.248 -3.574
12 HD22 LEU 532 1HD2 LEU 532 3.705 -0.057 -3.836
13 HD23 LEU 532 2HD2 LEU 532 4.295 -1.303 -2.724
14 H VAL 533 H VAL 533 1.813 1.271 -4.173
15 HA VAL 533 HA VAL 533 -0.585 -0.149 -4.736
16 HB VAL 533 HB VAL 533 1.842 0.259 -6.532
17 HG11 VAL 533 1HG1 VAL 533 -1.019 -0.617 -7.211
18 HG12 VAL 533 2HG1 VAL 533 0.117 0.012 -8.428
19 HG13 VAL 533 3HG1 VAL 533 0.480 -1.480 -7.576
20 HG21 VAL 533 3HG2 VAL 533 -0.761 1.881 -6.319
21 HG22 VAL 533 1HG2 VAL 533 0.814 2.443 -5.747
22 HG23 VAL 533 2HG2 VAL 533 0.549 2.185 -7.471
23 H ARG 534 H ARG 534 -0.976 -2.146 -5.502
24 HA ARG 534 HA ARG 534 0.649 -4.305 -4.288
25 HB2 ARG 534 2HB ARG 534 -2.172 -4.443 -5.466
26 HB3 ARG 534 HB3 ARG 534 -1.341 -5.683 -4.552
27 HG2 ARG 534 2HG ARG 534 -2.555 -4.798 -2.816
28 HG3 ARG 534 HG3 ARG 534 -1.124 -3.801 -2.677
29 HD2 ARG 534 2HD ARG 534 -3.070 -2.367 -2.486
30 HD3 ARG 534 HD3 ARG 534 -2.348 -1.990 -4.041
31 HE ARG 534 HE ARG 534 -4.329 -4.064 -4.325
32 HH11 ARG 534 1HH1 ARG 534 -4.191 -0.560 -3.770
33 HH12 ARG 534 2HH1 ARG 534 -5.757 -0.305 -4.489
34 HH21 ARG 534 1HH2 ARG 534 -6.345 -3.637 -5.226
35 HH22 ARG 534 2HH2 ARG 534 -6.946 -2.012 -5.277
36 H VAL 535 H VAL 535 -0.910 -3.652 -7.420
37 HA VAL 535 HA VAL 535 0.036 -5.936 -8.794
38 HB VAL 535 HB VAL 535 -0.771 -3.217 -9.938
39 HG11 VAL 535 1HG1 VAL 535 0.416 -4.474 -11.706
40 HG12 VAL 535 2HG1 VAL 535 -0.535 -5.932 -11.361
41 HG13 VAL 535 3HG1 VAL 535 -1.317 -4.492 -12.045
42 HG21 VAL 535 3HG2 VAL 535 -3.001 -4.306 -10.292
43 HG22 VAL 535 1HG2 VAL 535 -2.422 -5.755 -9.469
44 HG23 VAL 535 2HG2 VAL 535 -2.593 -4.225 -8.583
45 H ALA 536 H ALA 536 1.563 -2.734 -8.379
46 HA ALA 536 HA ALA 536 4.086 -3.768 -9.570
47 HB1 ALA 536 3HB ALA 536 2.738 -1.063 -10.165
48 HB2 ALA 536 1HB ALA 536 4.311 -1.585 -10.775
49 HB3 ALA 536 2HB ALA 536 2.834 -2.420 -11.299
50 H ARG 537 H ARG 537 5.787 -3.294 -8.434
51 HA ARG 537 HA ARG 537 5.768 -1.105 -6.393
52 HB2 ARG 537 2HB ARG 537 6.919 -3.937 -5.941
53 HB3 ARG 537 HB3 ARG 537 7.156 -2.560 -4.900
54 HG2 ARG 537 2HG ARG 537 5.404 -3.485 -3.753
55 HG3 ARG 537 HG3 ARG 537 4.494 -2.462 -4.850
56 HD2 ARG 537 2HD ARG 537 3.440 -4.642 -4.706
57 HD3 ARG 537 HD3 ARG 537 4.052 -4.445 -6.334
58 HE ARG 537 HE ARG 537 6.027 -5.744 -4.692
59 HH11 ARG 537 1HH1 ARG 537 2.885 -6.541 -6.143
60 HH12 ARG 537 2HH1 ARG 537 3.295 -8.231 -6.260
61 HH21 ARG 537 1HH2 ARG 537 6.451 -7.922 -4.869
62 HH22 ARG 537 2HH2 ARG 537 5.253 -8.992 -5.519
63 H LYS 538 H LYS 538 7.788 -3.533 -8.041
64 HA LYS 538 HA LYS 538 10.256 -2.234 -7.897
65 HB2 LYS 538 2HB LYS 538 11.012 -3.777 -9.617
66 HB3 LYS 538 HB3 LYS 538 10.013 -4.587 -8.429
67 HG2 LYS 538 2HG LYS 538 8.045 -4.454 -10.049
68 HG3 LYS 538 HG3 LYS 538 9.131 -3.754 -11.252
69 HD2 LYS 538 2HD LYS 538 10.579 -5.779 -11.145
70 HD3 LYS 538 HD3 LYS 538 9.501 -6.502 -9.958
71 HE2 LYS 538 2HE LYS 538 7.599 -6.437 -11.622
72 HE3 LYS 538 HE3 LYS 538 8.679 -5.710 -12.821
73 HZ1 LYS 538 3HZ LYS 538 10.058 -7.715 -12.744
74 HZ2 LYS 538 1HZ LYS 538 8.514 -8.136 -13.089
75 HZ3 LYS 538 2HZ LYS 538 9.122 -8.389 -11.593
76 H LEU 539 H LEU 539 11.164 -0.573 -8.792
77 HA LEU 539 HA LEU 539 11.517 1.345 -9.946
78 HB2 LEU 539 2HB LEU 539 10.509 -0.382 -12.279
79 HB3 LEU 539 HB3 LEU 539 11.161 1.219 -12.476
80 HG LEU 539 HG LEU 539 13.335 0.472 -11.421
81 HD11 LEU 539 1HD1 LEU 539 13.821 -2.031 -11.557
82 HD12 LEU 539 2HD1 LEU 539 12.075 -2.310 -11.703
83 HD13 LEU 539 3HD1 LEU 539 12.761 -1.587 -10.233
84 HD21 LEU 539 3HD2 LEU 539 13.041 0.729 -13.874
85 HD22 LEU 539 1HD2 LEU 539 12.439 -0.940 -13.983
86 HD23 LEU 539 2HD2 LEU 539 14.122 -0.610 -13.505
87 H ASP 540 H ASP 540 9.014 1.097 -8.559
88 HA ASP 540 HA ASP 540 7.216 2.916 -10.108
89 HB2 ASP 540 2HB ASP 540 6.734 0.131 -9.255
90 HB3 ASP 540 HB3 ASP 540 5.577 1.141 -8.489
91 H ARG 541 H ARG 541 7.063 1.469 -6.870
92 HA ARG 541 HA ARG 541 6.379 4.213 -5.803
93 HB2 ARG 541 2HB ARG 541 4.922 1.559 -5.732
94 HB3 ARG 541 HB3 ARG 541 4.926 2.520 -4.276
95 HG2 ARG 541 2HG ARG 541 2.982 3.185 -5.354
96 HG3 ARG 541 HG3 ARG 541 4.087 4.517 -5.554
97 HD2 ARG 541 2HD ARG 541 4.545 3.796 -7.917
98 HD3 ARG 541 HD3 ARG 541 3.474 2.408 -7.704
99 HE ARG 541 HE ARG 541 2.154 4.872 -6.992
100 HH11 ARG 541 1HH1 ARG 541 3.113 3.116 -9.956
101 HH12 ARG 541 2HH1 ARG 541 1.817 3.849 -10.854
102 HH21 ARG 541 1HH2 ARG 541 0.563 5.757 -8.250
103 HH22 ARG 541 2HH2 ARG 541 0.436 5.347 -9.934
104 H TYR 542 H TYR 542 7.405 0.929 -4.711
105 HA TYR 542 HA TYR 542 8.523 1.807 -2.245
106 HB2 TYR 542 2HB TYR 542 9.082 -0.339 -1.976
107 HB3 TYR 542 HB3 TYR 542 8.072 -0.614 -3.362
108 HD1 TYR 542 HD2 TYR 542 9.769 0.115 -5.652
109 HD2 TYR 542 HD1 TYR 542 10.835 -1.916 -2.009
110 HE1 TYR 542 HE2 TYR 542 11.647 -0.942 -6.817
111 HE2 TYR 542 HE1 TYR 542 12.725 -3.014 -3.181
112 HH TYR 542 HH TYR 542 13.857 -3.275 -5.190
113 H SER 543 H SER 543 9.671 2.256 -5.419
114 HA SER 543 HA SER 543 12.380 2.986 -5.124
115 HB2 SER 543 2HB SER 543 10.028 3.880 -6.883
116 HB3 SER 543 HB3 SER 543 11.622 4.524 -7.113
117 HG SER 543 HG SER 543 12.375 2.418 -7.600
118 H GLU 544 H GLU 544 9.437 5.116 -4.989
119 HA GLU 544 HA GLU 544 11.122 7.405 -4.289
120 HB2 GLU 544 2HB GLU 544 9.001 8.635 -4.063
121 HB3 GLU 544 HB3 GLU 544 9.290 7.937 -5.667
122 HG2 GLU 544 2HG GLU 544 7.676 6.134 -5.209
123 HG3 GLU 544 HG3 GLU 544 7.462 6.688 -3.550
124 H TYR 545 H TYR 545 8.814 5.311 -2.565
125 HA TYR 545 HA TYR 545 9.055 6.769 -0.068
126 HB2 TYR 545 2HB TYR 545 8.300 3.835 -0.494
127 HB3 TYR 545 HB3 TYR 545 8.015 4.762 0.963
128 HD1 TYR 545 HD1 TYR 545 6.684 7.122 0.487
129 HD2 TYR 545 HD2 TYR 545 6.480 3.548 -1.888
130 HE1 TYR 545 HE1 TYR 545 4.566 7.937 -0.534
131 HE2 TYR 545 HE2 TYR 545 4.429 4.398 -3.006
132 HH TYR 545 HH TYR 545 2.909 7.527 -2.099
133 H GLY 546 H GLY 546 10.686 3.880 -1.374
134 HA2 GLY 546 2HA GLY 546 12.375 3.353 0.780
135 HA3 GLY 546 HA3 GLY 546 12.771 2.984 -0.903
136 H ALA 547 H ALA 547 12.865 5.625 -1.862
137 HA ALA 547 HA ALA 547 15.531 6.368 -1.024
138 HB1 ALA 547 3HB ALA 547 15.341 8.001 -2.947
139 HB2 ALA 547 1HB ALA 547 14.806 6.391 -3.438
140 HB3 ALA 547 2HB ALA 547 13.608 7.644 -3.076
141 H ALA 548 H ALA 548 12.363 7.441 -0.140
142 HA ALA 548 HA ALA 548 13.347 9.927 1.145
143 HB1 ALA 548 3HB ALA 548 10.540 8.702 0.941
144 HB2 ALA 548 1HB ALA 548 10.931 10.319 1.569
145 HB3 ALA 548 2HB ALA 548 11.193 9.939 -0.144
146 H VAL 549 H VAL 549 12.723 6.666 1.949
147 HA VAL 549 HA VAL 549 12.536 7.321 4.850
148 HB VAL 549 HB VAL 549 11.534 4.897 3.286
149 HG11 VAL 549 1HG1 VAL 549 12.224 4.078 5.525
150 HG12 VAL 549 2HG1 VAL 549 11.329 5.402 6.302
151 HG13 VAL 549 3HG1 VAL 549 10.466 4.136 5.413
152 HG21 VAL 549 3HG2 VAL 549 9.277 5.706 3.933
153 HG22 VAL 549 1HG2 VAL 549 9.977 7.049 4.844
154 HG23 VAL 549 2HG2 VAL 549 10.112 7.003 3.086
155 H LEU 550 H LEU 550 14.270 5.311 2.529
156 HA LEU 550 HA LEU 550 15.837 4.044 4.697
157 HB2 LEU 550 2HB LEU 550 16.037 3.356 1.739
158 HB3 LEU 550 HB3 LEU 550 16.444 2.350 3.114
159 HG LEU 550 HG LEU 550 13.609 3.206 2.389
160 HD11 LEU 550 1HD1 LEU 550 15.015 0.586 1.697
161 HD12 LEU 550 2HD1 LEU 550 14.603 1.870 0.556
162 HD13 LEU 550 3HD1 LEU 550 13.312 0.983 1.375
163 HD21 LEU 550 3HD2 LEU 550 12.847 1.424 3.837
164 HD22 LEU 550 1HD2 LEU 550 13.867 2.557 4.740
165 HD23 LEU 550 2HD2 LEU 550 14.529 0.985 4.235
166 H PHE 551 H PHE 551 16.214 5.744 1.614
167 HA PHE 551 HA PHE 551 19.125 5.835 1.789
168 HB2 PHE 551 2HB PHE 551 17.770 5.744 -0.333
169 HB3 PHE 551 HB3 PHE 551 17.328 7.419 -0.062
170 HD1 PHE 551 HD1 PHE 551 20.221 5.125 -0.650
171 HD2 PHE 551 HD2 PHE 551 18.806 9.208 -0.707
172 HE1 PHE 551 HE1 PHE 551 22.299 5.829 -1.810
173 HE2 PHE 551 HE2 PHE 551 20.889 9.911 -1.866
174 HZ PHE 551 HZ PHE 551 22.633 8.226 -2.430
Start of MODEL 4
1 H1 LEU 532 H1 LEU 532 1.332 -0.638 0.133
2 H2 LEU 532 H2 LEU 532 0.773 -1.971 -0.629
3 H3 LEU 532 H3 LEU 532 -0.142 -0.632 -0.554
4 HA LEU 532 HA LEU 532 1.402 0.611 -1.984
5 HB2 LEU 532 2HB LEU 532 3.242 -1.229 -1.059
6 HB3 LEU 532 HB3 LEU 532 2.879 -1.986 -2.585
7 HG LEU 532 HG LEU 532 3.522 0.270 -3.710
8 HD11 LEU 532 1HD1 LEU 532 4.449 0.863 -0.831
9 HD12 LEU 532 2HD1 LEU 532 3.335 1.836 -1.808
10 HD13 LEU 532 3HD1 LEU 532 5.021 1.725 -2.258
11 HD21 LEU 532 3HD2 LEU 532 5.716 -1.084 -2.068
12 HD22 LEU 532 1HD2 LEU 532 5.887 -0.166 -3.575
13 HD23 LEU 532 2HD2 LEU 532 5.043 -1.719 -3.579
14 H VAL 533 H VAL 533 1.733 0.180 -4.486
15 HA VAL 533 HA VAL 533 -0.729 -0.838 -5.621
16 HB VAL 533 HB VAL 533 1.878 -0.144 -7.047
17 HG11 VAL 533 1HG1 VAL 533 0.349 0.165 -9.074
18 HG12 VAL 533 2HG1 VAL 533 0.535 -1.506 -8.570
19 HG13 VAL 533 3HG1 VAL 533 -0.948 -0.625 -8.154
20 HG21 VAL 533 3HG2 VAL 533 0.753 2.031 -7.583
21 HG22 VAL 533 1HG2 VAL 533 -0.657 1.541 -6.633
22 HG23 VAL 533 2HG2 VAL 533 0.888 1.838 -5.834
23 H ARG 534 H ARG 534 -1.042 -2.610 -6.870
24 HA ARG 534 HA ARG 534 0.304 -5.004 -5.781
25 HB2 ARG 534 2HB ARG 534 -2.239 -4.759 -7.491
26 HB3 ARG 534 HB3 ARG 534 -1.588 -6.217 -6.792
27 HG2 ARG 534 2HG ARG 534 -3.271 -5.637 -5.311
28 HG3 ARG 534 HG3 ARG 534 -1.817 -5.129 -4.463
29 HD2 ARG 534 2HD ARG 534 -2.309 -2.755 -4.953
30 HD3 ARG 534 HD3 ARG 534 -3.509 -3.197 -6.162
31 HE ARG 534 HE ARG 534 -5.063 -3.762 -4.528
32 HH11 ARG 534 1HH1 ARG 534 -2.100 -2.601 -2.894
33 HH12 ARG 534 2HH1 ARG 534 -2.915 -2.529 -1.361
34 HH21 ARG 534 1HH2 ARG 534 -6.002 -3.565 -2.528
35 HH22 ARG 534 2HH2 ARG 534 -5.082 -2.994 -1.171
36 H VAL 535 H VAL 535 -0.642 -3.832 -8.986
37 HA VAL 535 HA VAL 535 0.534 -5.914 -10.505
38 HB VAL 535 HB VAL 535 -0.182 -3.074 -11.366
39 HG11 VAL 535 1HG1 VAL 535 -0.403 -4.076 -13.695
40 HG12 VAL 535 2HG1 VAL 535 1.260 -4.060 -13.115
41 HG13 VAL 535 3HG1 VAL 535 0.325 -5.570 -13.093
42 HG21 VAL 535 3HG2 VAL 535 -2.147 -4.271 -10.444
43 HG22 VAL 535 1HG2 VAL 535 -2.309 -4.121 -12.186
44 HG23 VAL 535 2HG2 VAL 535 -1.814 -5.667 -11.484
45 H ALA 536 H ALA 536 1.898 -2.798 -9.408
46 HA ALA 536 HA ALA 536 4.571 -3.571 -10.440
47 HB1 ALA 536 3HB ALA 536 4.806 -1.281 -11.367
48 HB2 ALA 536 1HB ALA 536 3.440 -2.087 -12.131
49 HB3 ALA 536 2HB ALA 536 3.155 -0.876 -10.879
50 H ARG 537 H ARG 537 6.162 -3.049 -9.157
51 HA ARG 537 HA ARG 537 5.813 -1.228 -6.817
52 HB2 ARG 537 2HB ARG 537 7.053 -4.048 -6.680
53 HB3 ARG 537 HB3 ARG 537 7.128 -2.838 -5.432
54 HG2 ARG 537 2HG ARG 537 5.350 -4.037 -4.617
55 HG3 ARG 537 HG3 ARG 537 4.469 -2.855 -5.565
56 HD2 ARG 537 2HD ARG 537 3.510 -5.074 -5.901
57 HD3 ARG 537 HD3 ARG 537 4.209 -4.541 -7.418
58 HE ARG 537 HE ARG 537 6.133 -6.064 -5.902
59 HH11 ARG 537 1HH1 ARG 537 3.163 -6.634 -7.780
60 HH12 ARG 537 2HH1 ARG 537 3.708 -8.210 -8.284
61 HH21 ARG 537 1HH2 ARG 537 6.699 -8.131 -6.548
62 HH22 ARG 537 2HH2 ARG 537 5.631 -9.061 -7.551
63 H LYS 538 H LYS 538 8.116 -3.304 -8.569
64 HA LYS 538 HA LYS 538 10.406 -1.760 -7.900
65 HB2 LYS 538 2HB LYS 538 9.963 -3.984 -9.941
66 HB3 LYS 538 HB3 LYS 538 11.542 -3.278 -9.619
67 HG2 LYS 538 2HG LYS 538 11.329 -3.916 -7.193
68 HG3 LYS 538 HG3 LYS 538 9.785 -4.697 -7.538
69 HD2 LYS 538 2HD LYS 538 10.938 -6.230 -9.167
70 HD3 LYS 538 HD3 LYS 538 12.474 -5.435 -8.824
71 HE2 LYS 538 2HE LYS 538 12.326 -6.153 -6.409
72 HE3 LYS 538 HE3 LYS 538 10.768 -6.932 -6.739
73 HZ1 LYS 538 3HZ LYS 538 12.588 -8.528 -6.829
74 HZ2 LYS 538 1HZ LYS 538 13.356 -7.698 -8.007
75 HZ3 LYS 538 2HZ LYS 538 11.919 -8.415 -8.316
76 H LEU 539 H LEU 539 11.494 -0.223 -8.850
77 HA LEU 539 HA LEU 539 11.885 1.665 -10.047
78 HB2 LEU 539 2HB LEU 539 10.862 0.149 -12.497
79 HB3 LEU 539 HB3 LEU 539 11.880 1.577 -12.493
80 HG LEU 539 HG LEU 539 12.703 -1.184 -11.432
81 HD11 LEU 539 1HD1 LEU 539 13.548 0.271 -13.981
82 HD12 LEU 539 2HD1 LEU 539 12.457 -1.126 -13.903
83 HD13 LEU 539 3HD1 LEU 539 14.158 -1.287 -13.422
84 HD21 LEU 539 3HD2 LEU 539 15.006 -0.209 -11.332
85 HD22 LEU 539 1HD2 LEU 539 13.934 0.602 -10.207
86 HD23 LEU 539 2HD2 LEU 539 14.352 1.379 -11.737
87 H ASP 540 H ASP 540 9.404 1.319 -8.718
88 HA ASP 540 HA ASP 540 7.532 3.077 -10.246
89 HB2 ASP 540 2HB ASP 540 7.252 0.198 -9.587
90 HB3 ASP 540 HB3 ASP 540 5.870 1.120 -9.039
91 H ARG 541 H ARG 541 7.224 1.357 -7.081
92 HA ARG 541 HA ARG 541 6.389 4.001 -5.906
93 HB2 ARG 541 2HB ARG 541 4.983 1.375 -6.146
94 HB3 ARG 541 HB3 ARG 541 4.956 2.083 -4.555
95 HG2 ARG 541 2HG ARG 541 3.010 2.788 -5.733
96 HG3 ARG 541 HG3 ARG 541 4.004 4.176 -5.337
97 HD2 ARG 541 2HD ARG 541 4.767 4.409 -7.643
98 HD3 ARG 541 HD3 ARG 541 4.095 2.850 -8.081
99 HE ARG 541 HE ARG 541 1.923 3.672 -7.983
100 HH11 ARG 541 1HH1 ARG 541 4.085 6.383 -7.079
101 HH12 ARG 541 2HH1 ARG 541 2.855 7.535 -7.482
102 HH21 ARG 541 1HH2 ARG 541 0.458 5.255 -8.467
103 HH22 ARG 541 2HH2 ARG 541 0.854 6.928 -8.227
104 H TYR 542 H TYR 542 7.483 0.715 -4.912
105 HA TYR 542 HA TYR 542 8.391 1.566 -2.343
106 HB2 TYR 542 2HB TYR 542 8.930 -0.574 -2.083
107 HB3 TYR 542 HB3 TYR 542 8.144 -0.833 -3.595
108 HD1 TYR 542 HD2 TYR 542 9.918 -0.161 -5.698
109 HD2 TYR 542 HD1 TYR 542 10.876 -1.895 -1.874
110 HE1 TYR 542 HE2 TYR 542 11.939 -1.142 -6.670
111 HE2 TYR 542 HE1 TYR 542 12.921 -2.908 -2.856
112 HH TYR 542 HH TYR 542 14.202 -3.184 -4.753
113 H SER 543 H SER 543 9.730 2.045 -5.422
114 HA SER 543 HA SER 543 12.432 2.771 -4.962
115 HB2 SER 543 2HB SER 543 10.221 3.612 -6.932
116 HB3 SER 543 HB3 SER 543 11.844 4.224 -7.057
117 HG SER 543 HG SER 543 12.573 2.052 -7.360
118 H GLU 544 H GLU 544 9.428 4.801 -4.977
119 HA GLU 544 HA GLU 544 11.031 7.208 -4.492
120 HB2 GLU 544 2HB GLU 544 8.828 8.349 -4.374
121 HB3 GLU 544 HB3 GLU 544 9.231 7.587 -5.932
122 HG2 GLU 544 2HG GLU 544 7.727 5.715 -5.444
123 HG3 GLU 544 HG3 GLU 544 7.378 6.337 -3.833
124 H TYR 545 H TYR 545 8.782 5.129 -2.686
125 HA TYR 545 HA TYR 545 8.944 6.709 -0.258
126 HB2 TYR 545 2HB TYR 545 8.290 3.742 -0.548
127 HB3 TYR 545 HB3 TYR 545 7.970 4.725 0.870
128 HD1 TYR 545 HD1 TYR 545 6.542 7.029 0.261
129 HD2 TYR 545 HD2 TYR 545 6.529 3.343 -1.955
130 HE1 TYR 545 HE1 TYR 545 4.396 7.681 -0.824
131 HE2 TYR 545 HE2 TYR 545 4.436 3.995 -3.077
132 HH TYR 545 HH TYR 545 2.769 7.116 -2.344
133 H GLY 546 H GLY 546 10.650 3.763 -1.403
134 HA2 GLY 546 2HA GLY 546 12.355 3.380 0.735
135 HA3 GLY 546 HA3 GLY 546 12.789 3.017 -0.940
136 H ALA 547 H ALA 547 12.778 5.672 -1.917
137 HA ALA 547 HA ALA 547 15.417 6.501 -1.077
138 HB1 ALA 547 3HB ALA 547 15.206 8.119 -2.980
139 HB2 ALA 547 1HB ALA 547 14.728 6.490 -3.481
140 HB3 ALA 547 2HB ALA 547 13.497 7.730 -3.147
141 H ALA 548 H ALA 548 12.220 7.464 -0.201
142 HA ALA 548 HA ALA 548 13.124 9.988 1.072
143 HB1 ALA 548 3HB ALA 548 10.972 9.942 -0.236
144 HB2 ALA 548 1HB ALA 548 10.356 8.671 0.830
145 HB3 ALA 548 2HB ALA 548 10.672 10.283 1.478
146 H VAL 549 H VAL 549 12.600 6.713 1.874
147 HA VAL 549 HA VAL 549 12.320 7.350 4.778
148 HB VAL 549 HB VAL 549 11.422 4.918 3.146
149 HG11 VAL 549 1HG1 VAL 549 11.213 5.361 6.179
150 HG12 VAL 549 2HG1 VAL 549 10.366 4.089 5.280
151 HG13 VAL 549 3HG1 VAL 549 12.128 4.069 5.370
152 HG21 VAL 549 3HG2 VAL 549 9.949 6.966 2.968
153 HG22 VAL 549 1HG2 VAL 549 9.138 5.641 3.809
154 HG23 VAL 549 2HG2 VAL 549 9.801 6.997 4.735
155 H LEU 550 H LEU 550 14.175 5.414 2.471
156 HA LEU 550 HA LEU 550 15.770 4.233 4.668
157 HB2 LEU 550 2HB LEU 550 16.037 3.551 1.711
158 HB3 LEU 550 HB3 LEU 550 16.476 2.561 3.085
159 HG LEU 550 HG LEU 550 13.605 3.286 2.343
160 HD11 LEU 550 1HD1 LEU 550 15.144 0.745 1.677
161 HD12 LEU 550 2HD1 LEU 550 14.635 1.998 0.522
162 HD13 LEU 550 3HD1 LEU 550 13.411 1.037 1.361
163 HD21 LEU 550 3HD2 LEU 550 13.891 2.666 4.710
164 HD22 LEU 550 1HD2 LEU 550 14.624 1.119 4.219
165 HD23 LEU 550 2HD2 LEU 550 12.927 1.475 3.824
166 H PHE 551 H PHE 551 16.091 5.950 1.605
167 HA PHE 551 HA PHE 551 19.001 6.234 1.839
168 HB2 PHE 551 2HB PHE 551 17.713 6.015 -0.313
169 HB3 PHE 551 HB3 PHE 551 17.123 7.650 -0.088
170 HD1 PHE 551 HD2 PHE 551 20.227 5.632 -0.591
171 HD2 PHE 551 HD1 PHE 551 18.435 9.554 -0.695
172 HE1 PHE 551 HE2 PHE 551 22.246 6.530 -1.740
173 HE2 PHE 551 HE1 PHE 551 20.443 10.437 -1.861
174 HZ PHE 551 HZ PHE 551 22.352 8.923 -2.370
Start of MODEL 5
1 H1 LEU 532 H1 LEU 532 1.838 -0.558 0.536
2 H2 LEU 532 H2 LEU 532 3.040 0.497 0.789
3 H3 LEU 532 H3 LEU 532 3.299 -0.888 -0.064
4 HA LEU 532 HA LEU 532 1.498 1.333 -0.877
5 HB2 LEU 532 2HB LEU 532 3.083 2.059 -2.572
6 HB3 LEU 532 HB3 LEU 532 3.745 2.148 -0.987
7 HG LEU 532 HG LEU 532 5.375 1.528 -2.670
8 HD11 LEU 532 1HD1 LEU 532 5.166 -0.722 -0.663
9 HD12 LEU 532 2HD1 LEU 532 5.780 0.920 -0.337
10 HD13 LEU 532 3HD1 LEU 532 6.595 -0.125 -1.499
11 HD21 LEU 532 3HD2 LEU 532 4.009 0.103 -4.196
12 HD22 LEU 532 1HD2 LEU 532 4.029 -1.188 -2.971
13 HD23 LEU 532 2HD2 LEU 532 5.520 -0.648 -3.726
14 H VAL 533 H VAL 533 1.825 0.989 -3.689
15 HA VAL 533 HA VAL 533 -0.416 -0.436 -4.336
16 HB VAL 533 HB VAL 533 1.993 -0.009 -6.157
17 HG11 VAL 533 1HG1 VAL 533 0.235 0.059 -8.008
18 HG12 VAL 533 2HG1 VAL 533 0.479 -1.531 -7.314
19 HG13 VAL 533 3HG1 VAL 533 -0.937 -0.573 -6.844
20 HG21 VAL 533 3HG2 VAL 533 1.164 2.129 -5.113
21 HG22 VAL 533 1HG2 VAL 533 0.806 2.091 -6.845
22 HG23 VAL 533 2HG2 VAL 533 -0.475 1.755 -5.664
23 H ARG 534 H ARG 534 -0.955 -2.289 -5.300
24 HA ARG 534 HA ARG 534 0.480 -4.669 -4.301
25 HB2 ARG 534 2HB ARG 534 -2.325 -4.481 -5.535
26 HB3 ARG 534 HB3 ARG 534 -1.600 -5.869 -4.734
27 HG2 ARG 534 2HG ARG 534 -2.778 -5.083 -2.939
28 HG3 ARG 534 HG3 ARG 534 -1.304 -4.188 -2.670
29 HD2 ARG 534 2HD ARG 534 -3.189 -2.689 -2.366
30 HD3 ARG 534 HD3 ARG 534 -2.372 -2.176 -3.843
31 HE ARG 534 HE ARG 534 -4.485 -4.097 -4.380
32 HH11 ARG 534 1HH1 ARG 534 -4.081 -0.669 -3.612
33 HH12 ARG 534 2HH1 ARG 534 -5.556 -0.224 -4.428
34 HH21 ARG 534 1HH2 ARG 534 -6.355 -3.462 -5.421
35 HH22 ARG 534 2HH2 ARG 534 -6.821 -1.790 -5.446
36 H VAL 535 H VAL 535 -0.892 -3.553 -7.380
37 HA VAL 535 HA VAL 535 -0.056 -5.854 -8.884
38 HB VAL 535 HB VAL 535 -0.763 -4.609 -10.903
39 HG11 VAL 535 1HG1 VAL 535 -2.440 -5.857 -9.555
40 HG12 VAL 535 2HG1 VAL 535 -2.791 -4.392 -8.624
41 HG13 VAL 535 3HG1 VAL 535 -3.151 -4.454 -10.354
42 HG21 VAL 535 3HG2 VAL 535 -0.056 -2.288 -10.254
43 HG22 VAL 535 1HG2 VAL 535 -1.747 -2.359 -10.766
44 HG23 VAL 535 2HG2 VAL 535 -1.346 -2.238 -9.043
45 H ALA 536 H ALA 536 1.718 -3.015 -7.974
46 HA ALA 536 HA ALA 536 4.067 -3.929 -9.435
47 HB1 ALA 536 3HB ALA 536 2.815 -1.151 -9.899
48 HB2 ALA 536 1HB ALA 536 4.395 -1.670 -10.504
49 HB3 ALA 536 2HB ALA 536 2.929 -2.440 -11.110
50 H ARG 537 H ARG 537 5.927 -3.244 -8.499
51 HA ARG 537 HA ARG 537 5.897 -1.257 -6.291
52 HB2 ARG 537 2HB ARG 537 7.110 -4.082 -5.990
53 HB3 ARG 537 HB3 ARG 537 7.402 -2.714 -4.933
54 HG2 ARG 537 2HG ARG 537 5.742 -3.611 -3.689
55 HG3 ARG 537 HG3 ARG 537 4.702 -2.699 -4.753
56 HD2 ARG 537 2HD ARG 537 4.359 -4.772 -6.164
57 HD3 ARG 537 HD3 ARG 537 5.467 -5.634 -5.100
58 HE ARG 537 HE ARG 537 3.112 -4.288 -3.892
59 HH11 ARG 537 1HH1 ARG 537 4.379 -7.414 -4.980
60 HH12 ARG 537 2HH1 ARG 537 3.291 -8.305 -3.960
61 HH21 ARG 537 1HH2 ARG 537 1.824 -5.510 -2.522
62 HH22 ARG 537 2HH2 ARG 537 1.845 -7.245 -2.619
63 H LYS 538 H LYS 538 7.983 -3.558 -8.097
64 HA LYS 538 HA LYS 538 10.340 -2.037 -7.718
65 HB2 LYS 538 2HB LYS 538 9.707 -4.325 -9.627
66 HB3 LYS 538 HB3 LYS 538 11.313 -3.629 -9.433
67 HG2 LYS 538 2HG LYS 538 11.180 -4.089 -6.948
68 HG3 LYS 538 HG3 LYS 538 9.672 -4.950 -7.207
69 HD2 LYS 538 2HD LYS 538 12.375 -5.690 -8.477
70 HD3 LYS 538 HD3 LYS 538 11.703 -6.438 -7.034
71 HE2 LYS 538 2HE LYS 538 9.698 -7.237 -8.367
72 HE3 LYS 538 HE3 LYS 538 10.416 -6.564 -9.831
73 HZ1 LYS 538 3HZ LYS 538 12.347 -8.051 -9.477
74 HZ2 LYS 538 1HZ LYS 538 10.969 -8.911 -9.613
75 HZ3 LYS 538 2HZ LYS 538 11.645 -8.694 -8.144
76 H LEU 539 H LEU 539 11.318 -0.500 -8.719
77 HA LEU 539 HA LEU 539 11.605 1.379 -9.906
78 HB2 LEU 539 2HB LEU 539 12.111 -0.529 -11.658
79 HB3 LEU 539 HB3 LEU 539 10.569 -0.105 -12.367
80 HG LEU 539 HG LEU 539 11.476 2.316 -12.594
81 HD11 LEU 539 1HD1 LEU 539 13.961 2.541 -12.605
82 HD12 LEU 539 2HD1 LEU 539 14.114 0.896 -11.946
83 HD13 LEU 539 3HD1 LEU 539 13.381 2.187 -10.979
84 HD21 LEU 539 3HD2 LEU 539 12.885 0.058 -14.107
85 HD22 LEU 539 1HD2 LEU 539 12.782 1.748 -14.624
86 HD23 LEU 539 2HD2 LEU 539 11.315 0.760 -14.519
87 H ASP 540 H ASP 540 9.205 1.112 -8.505
88 HA ASP 540 HA ASP 540 7.266 2.709 -10.116
89 HB2 ASP 540 2HB ASP 540 7.015 -0.063 -9.508
90 HB3 ASP 540 HB3 ASP 540 5.904 0.673 -8.406
91 H ARG 541 H ARG 541 6.822 1.403 -6.825
92 HA ARG 541 HA ARG 541 6.389 4.230 -5.893
93 HB2 ARG 541 2HB ARG 541 4.722 1.716 -5.690
94 HB3 ARG 541 HB3 ARG 541 4.782 2.777 -4.302
95 HG2 ARG 541 2HG ARG 541 2.921 3.533 -5.455
96 HG3 ARG 541 HG3 ARG 541 4.149 4.741 -5.783
97 HD2 ARG 541 2HD ARG 541 4.530 3.760 -8.049
98 HD3 ARG 541 HD3 ARG 541 3.384 2.459 -7.692
99 HE ARG 541 HE ARG 541 2.173 5.044 -7.271
100 HH11 ARG 541 1HH1 ARG 541 3.037 2.878 -9.969
101 HH12 ARG 541 2HH1 ARG 541 1.772 3.523 -10.968
102 HH21 ARG 541 1HH2 ARG 541 0.599 5.820 -8.640
103 HH22 ARG 541 2HH2 ARG 541 0.420 5.155 -10.239
104 H TYR 542 H TYR 542 7.356 0.945 -4.759
105 HA TYR 542 HA TYR 542 8.437 1.855 -2.283
106 HB2 TYR 542 2HB TYR 542 8.992 -0.294 -1.997
107 HB3 TYR 542 HB3 TYR 542 8.084 -0.600 -3.425
108 HD1 TYR 542 HD2 TYR 542 9.835 0.111 -5.646
109 HD2 TYR 542 HD1 TYR 542 10.837 -1.723 -1.887
110 HE1 TYR 542 HE2 TYR 542 11.833 -0.861 -6.689
111 HE2 TYR 542 HE1 TYR 542 12.844 -2.765 -2.935
112 HH TYR 542 HH TYR 542 14.101 -3.000 -4.857
113 H SER 543 H SER 543 9.619 2.298 -5.451
114 HA SER 543 HA SER 543 12.324 3.039 -5.133
115 HB2 SER 543 2HB SER 543 9.980 3.954 -6.902
116 HB3 SER 543 HB3 SER 543 11.579 4.591 -7.119
117 HG SER 543 HG SER 543 12.318 2.489 -7.586
118 H GLU 544 H GLU 544 9.354 5.127 -4.915
119 HA GLU 544 HA GLU 544 11.048 7.449 -4.285
120 HB2 GLU 544 2HB GLU 544 8.895 8.668 -4.027
121 HB3 GLU 544 HB3 GLU 544 9.185 7.964 -5.638
122 HG2 GLU 544 2HG GLU 544 7.612 6.153 -5.180
123 HG3 GLU 544 HG3 GLU 544 7.408 6.674 -3.514
124 H TYR 545 H TYR 545 8.776 5.333 -2.543
125 HA TYR 545 HA TYR 545 9.036 6.768 -0.029
126 HB2 TYR 545 2HB TYR 545 8.332 3.824 -0.495
127 HB3 TYR 545 HB3 TYR 545 8.092 4.704 1.001
128 HD1 TYR 545 HD1 TYR 545 6.655 7.002 0.707
129 HD2 TYR 545 HD2 TYR 545 6.509 3.583 -1.913
130 HE1 TYR 545 HE1 TYR 545 4.453 7.768 -0.179
131 HE2 TYR 545 HE2 TYR 545 4.380 4.376 -2.851
132 HH TYR 545 HH TYR 545 2.714 5.995 -2.768
133 H GLY 546 H GLY 546 10.664 3.886 -1.370
134 HA2 GLY 546 2HA GLY 546 12.371 3.328 0.756
135 HA3 GLY 546 HA3 GLY 546 12.746 2.965 -0.939
136 H ALA 547 H ALA 547 12.883 5.629 -1.859
137 HA ALA 547 HA ALA 547 15.583 6.247 -1.045
138 HB1 ALA 547 3HB ALA 547 14.862 6.305 -3.446
139 HB2 ALA 547 1HB ALA 547 13.738 7.634 -3.090
140 HB3 ALA 547 2HB ALA 547 15.488 7.876 -2.949
141 H ALA 548 H ALA 548 12.472 7.440 -0.158
142 HA ALA 548 HA ALA 548 13.543 9.893 1.116
143 HB1 ALA 548 3HB ALA 548 10.700 8.766 0.875
144 HB2 ALA 548 1HB ALA 548 11.120 10.355 1.525
145 HB3 ALA 548 2HB ALA 548 11.405 10.001 -0.183
146 H VAL 549 H VAL 549 12.825 6.657 1.931
147 HA VAL 549 HA VAL 549 12.637 7.330 4.823
148 HB VAL 549 HB VAL 549 11.565 4.923 3.281
149 HG11 VAL 549 1HG1 VAL 549 10.474 4.224 5.430
150 HG12 VAL 549 2HG1 VAL 549 12.229 4.093 5.507
151 HG13 VAL 549 3HG1 VAL 549 11.411 5.458 6.288
152 HG21 VAL 549 3HG2 VAL 549 10.087 7.129 4.826
153 HG22 VAL 549 1HG2 VAL 549 10.210 7.068 3.066
154 HG23 VAL 549 2HG2 VAL 549 9.332 5.799 3.918
155 H LEU 550 H LEU 550 14.318 5.256 2.509
156 HA LEU 550 HA LEU 550 15.844 3.950 4.682
157 HB2 LEU 550 2HB LEU 550 16.010 3.229 1.729
158 HB3 LEU 550 HB3 LEU 550 16.390 2.234 3.106
159 HG LEU 550 HG LEU 550 13.575 3.174 2.391
160 HD11 LEU 550 1HD1 LEU 550 13.198 0.949 1.409
161 HD12 LEU 550 2HD1 LEU 550 14.890 0.500 1.737
162 HD13 LEU 550 3HD1 LEU 550 14.517 1.782 0.575
163 HD21 LEU 550 3HD2 LEU 550 12.773 1.438 3.867
164 HD22 LEU 550 1HD2 LEU 550 13.828 2.549 4.759
165 HD23 LEU 550 2HD2 LEU 550 14.434 0.950 4.269
166 H PHE 551 H PHE 551 16.253 5.629 1.599
167 HA PHE 551 HA PHE 551 19.171 5.572 1.721
168 HB2 PHE 551 2HB PHE 551 17.753 5.546 -0.384
169 HB3 PHE 551 HB3 PHE 551 17.473 7.261 -0.146
170 HD1 PHE 551 HD1 PHE 551 20.079 4.700 -0.864
171 HD2 PHE 551 HD2 PHE 551 19.156 8.913 -0.675
172 HE1 PHE 551 HE1 PHE 551 22.183 5.220 -2.072
173 HE2 PHE 551 HE2 PHE 551 21.263 9.427 -1.886
174 HZ PHE 551 HZ PHE 551 22.781 7.590 -2.588
Start of MODEL 6
1 H1 LEU 532 H1 LEU 532 1.599 -0.114 1.164
2 H2 LEU 532 H2 LEU 532 3.162 -0.435 1.468
3 H3 LEU 532 H3 LEU 532 2.145 -1.636 1.047
4 HA LEU 532 HA LEU 532 2.931 0.613 -0.751
5 HB2 LEU 532 2HB LEU 532 4.395 -1.739 -0.086
6 HB3 LEU 532 HB3 LEU 532 3.644 -2.187 -1.583
7 HG LEU 532 HG LEU 532 5.892 -1.359 -1.914
8 HD11 LEU 532 1HD1 LEU 532 4.166 -0.898 -3.702
9 HD12 LEU 532 2HD1 LEU 532 5.585 0.153 -3.740
10 HD13 LEU 532 3HD1 LEU 532 4.069 0.766 -3.089
11 HD21 LEU 532 3HD2 LEU 532 6.611 0.924 -1.462
12 HD22 LEU 532 1HD2 LEU 532 6.074 0.159 0.032
13 HD23 LEU 532 2HD2 LEU 532 5.050 1.358 -0.763
14 H VAL 533 H VAL 533 2.288 0.331 -3.039
15 HA VAL 533 HA VAL 533 -0.473 -0.358 -3.440
16 HB VAL 533 HB VAL 533 1.762 0.073 -5.444
17 HG11 VAL 533 1HG1 VAL 533 -0.054 0.586 -7.113
18 HG12 VAL 533 2HG1 VAL 533 -0.023 -1.111 -6.654
19 HG13 VAL 533 3HG1 VAL 533 -1.254 -0.023 -5.975
20 HG21 VAL 533 3HG2 VAL 533 0.757 2.364 -5.708
21 HG22 VAL 533 1HG2 VAL 533 -0.402 1.988 -4.427
22 HG23 VAL 533 2HG2 VAL 533 1.325 2.089 -4.060
23 H ARG 534 H ARG 534 -1.396 -2.000 -4.477
24 HA ARG 534 HA ARG 534 -0.363 -4.528 -3.621
25 HB2 ARG 534 2HB ARG 534 -2.493 -5.501 -4.489
26 HB3 ARG 534 HB3 ARG 534 -2.658 -4.232 -3.304
27 HG2 ARG 534 2HG ARG 534 -2.812 -3.348 -6.197
28 HG3 ARG 534 HG3 ARG 534 -4.100 -4.369 -5.613
29 HD2 ARG 534 2HD ARG 534 -4.654 -2.820 -3.801
30 HD3 ARG 534 HD3 ARG 534 -3.270 -1.792 -4.186
31 HE ARG 534 HE ARG 534 -4.950 -2.141 -6.498
32 HH11 ARG 534 1HH1 ARG 534 -4.936 -0.343 -3.444
33 HH12 ARG 534 2HH1 ARG 534 -5.902 0.939 -4.099
34 HH21 ARG 534 1HH2 ARG 534 -6.207 -0.456 -7.263
35 HH22 ARG 534 2HH2 ARG 534 -6.648 0.855 -6.213
36 H VAL 535 H VAL 535 -0.899 -3.346 -6.924
37 HA VAL 535 HA VAL 535 0.181 -5.888 -8.035
38 HB VAL 535 HB VAL 535 -0.800 -5.164 -10.191
39 HG11 VAL 535 1HG1 VAL 535 -2.122 -6.568 -8.644
40 HG12 VAL 535 2HG1 VAL 535 -2.817 -5.109 -7.894
41 HG13 VAL 535 3HG1 VAL 535 -3.153 -5.494 -9.582
42 HG21 VAL 535 3HG2 VAL 535 -1.942 -2.758 -8.673
43 HG22 VAL 535 1HG2 VAL 535 -0.676 -2.666 -9.902
44 HG23 VAL 535 2HG2 VAL 535 -2.292 -3.207 -10.338
45 H ALA 536 H ALA 536 1.519 -2.851 -7.381
46 HA ALA 536 HA ALA 536 3.723 -3.267 -9.307
47 HB1 ALA 536 3HB ALA 536 3.416 -0.966 -10.231
48 HB2 ALA 536 1HB ALA 536 2.020 -1.973 -10.597
49 HB3 ALA 536 2HB ALA 536 1.924 -0.776 -9.296
50 H ARG 537 H ARG 537 5.397 -3.197 -8.053
51 HA ARG 537 HA ARG 537 5.699 -1.028 -5.991
52 HB2 ARG 537 2HB ARG 537 6.932 -3.820 -5.660
53 HB3 ARG 537 HB3 ARG 537 6.877 -2.507 -4.517
54 HG2 ARG 537 2HG ARG 537 5.128 -3.697 -3.626
55 HG3 ARG 537 HG3 ARG 537 4.179 -2.870 -4.844
56 HD2 ARG 537 2HD ARG 537 4.490 -4.857 -6.394
57 HD3 ARG 537 HD3 ARG 537 5.434 -5.664 -5.165
58 HE ARG 537 HE ARG 537 2.552 -5.463 -5.336
59 HH11 ARG 537 1HH1 ARG 537 5.097 -5.876 -2.884
60 HH12 ARG 537 2HH1 ARG 537 4.021 -6.743 -1.836
61 HH21 ARG 537 1HH2 ARG 537 1.283 -6.535 -3.974
62 HH22 ARG 537 2HH2 ARG 537 1.866 -7.088 -2.419
63 H LYS 538 H LYS 538 7.467 -3.504 -7.849
64 HA LYS 538 HA LYS 538 10.027 -2.416 -7.609
65 HB2 LYS 538 2HB LYS 538 9.446 -4.770 -8.118
66 HB3 LYS 538 HB3 LYS 538 8.948 -4.305 -9.743
67 HG2 LYS 538 2HG LYS 538 11.311 -3.448 -10.159
68 HG3 LYS 538 HG3 LYS 538 11.767 -3.997 -8.553
69 HD2 LYS 538 2HD LYS 538 10.700 -5.810 -10.794
70 HD3 LYS 538 HD3 LYS 538 12.393 -5.549 -10.441
71 HE2 LYS 538 2HE LYS 538 12.052 -6.474 -8.097
72 HE3 LYS 538 HE3 LYS 538 10.374 -6.857 -8.524
73 HZ1 LYS 538 3HZ LYS 538 12.781 -7.959 -9.907
74 HZ2 LYS 538 1HZ LYS 538 11.227 -8.300 -10.302
75 HZ3 LYS 538 2HZ LYS 538 11.837 -8.776 -8.865
76 H LEU 539 H LEU 539 10.954 -0.697 -8.468
77 HA LEU 539 HA LEU 539 11.421 1.130 -9.679
78 HB2 LEU 539 2HB LEU 539 11.896 -0.842 -11.351
79 HB3 LEU 539 HB3 LEU 539 10.439 -0.332 -12.159
80 HG LEU 539 HG LEU 539 11.530 2.022 -12.379
81 HD11 LEU 539 1HD1 LEU 539 14.009 0.424 -11.526
82 HD12 LEU 539 2HD1 LEU 539 13.314 1.793 -10.657
83 HD13 LEU 539 3HD1 LEU 539 14.040 2.032 -12.245
84 HD21 LEU 539 3HD2 LEU 539 11.356 0.413 -14.272
85 HD22 LEU 539 1HD2 LEU 539 12.887 -0.332 -13.788
86 HD23 LEU 539 2HD2 LEU 539 12.845 1.354 -14.339
87 H ASP 540 H ASP 540 8.904 1.039 -8.416
88 HA ASP 540 HA ASP 540 7.156 2.688 -10.189
89 HB2 ASP 540 2HB ASP 540 6.752 -0.101 -9.221
90 HB3 ASP 540 HB3 ASP 540 5.438 0.896 -8.698
91 H ARG 541 H ARG 541 7.202 1.398 -6.818
92 HA ARG 541 HA ARG 541 6.363 4.113 -5.865
93 HB2 ARG 541 2HB ARG 541 4.857 1.472 -5.619
94 HB3 ARG 541 HB3 ARG 541 4.820 2.585 -4.275
95 HG2 ARG 541 2HG ARG 541 2.995 3.370 -5.305
96 HG3 ARG 541 HG3 ARG 541 4.169 4.427 -6.047
97 HD2 ARG 541 2HD ARG 541 4.237 2.765 -8.044
98 HD3 ARG 541 HD3 ARG 541 2.973 1.867 -7.246
99 HE ARG 541 HE ARG 541 1.459 3.619 -7.600
100 HH11 ARG 541 1HH1 ARG 541 4.660 4.704 -8.675
101 HH12 ARG 541 2HH1 ARG 541 4.001 6.047 -9.563
102 HH21 ARG 541 1HH2 ARG 541 0.676 5.329 -8.821
103 HH22 ARG 541 2HH2 ARG 541 1.784 6.382 -9.652
104 H TYR 542 H TYR 542 7.439 0.856 -4.721
105 HA TYR 542 HA TYR 542 8.495 1.869 -2.274
106 HB2 TYR 542 2HB TYR 542 9.074 -0.234 -1.863
107 HB3 TYR 542 HB3 TYR 542 8.028 -0.603 -3.199
108 HD1 TYR 542 HD2 TYR 542 9.810 0.031 -5.561
109 HD2 TYR 542 HD1 TYR 542 10.637 -1.962 -1.836
110 HE1 TYR 542 HE2 TYR 542 11.602 -1.228 -6.648
111 HE2 TYR 542 HE1 TYR 542 12.467 -3.245 -2.932
112 HH TYR 542 HH TYR 542 13.601 -3.652 -4.895
113 H SER 543 H SER 543 9.664 2.193 -5.423
114 HA SER 543 HA SER 543 12.346 3.008 -5.171
115 HB2 SER 543 2HB SER 543 9.926 3.890 -6.862
116 HB3 SER 543 HB3 SER 543 11.517 4.508 -7.156
117 HG SER 543 HG SER 543 12.222 2.352 -7.578
118 H GLU 544 H GLU 544 9.351 5.031 -4.886
119 HA GLU 544 HA GLU 544 11.030 7.390 -4.309
120 HB2 GLU 544 2HB GLU 544 8.867 8.599 -4.107
121 HB3 GLU 544 HB3 GLU 544 9.212 7.912 -5.697
122 HG2 GLU 544 2HG GLU 544 7.639 6.066 -5.304
123 HG3 GLU 544 HG3 GLU 544 7.360 6.592 -3.646
124 H TYR 545 H TYR 545 8.743 5.285 -2.578
125 HA TYR 545 HA TYR 545 8.954 6.763 -0.086
126 HB2 TYR 545 2HB TYR 545 8.267 3.812 -0.528
127 HB3 TYR 545 HB3 TYR 545 7.971 4.718 0.950
128 HD1 TYR 545 HD1 TYR 545 6.572 7.038 0.526
129 HD2 TYR 545 HD2 TYR 545 6.444 3.502 -1.931
130 HE1 TYR 545 HE1 TYR 545 4.407 7.795 -0.450
131 HE2 TYR 545 HE2 TYR 545 4.360 4.310 -2.995
132 HH TYR 545 HH TYR 545 2.750 7.359 -1.992
133 H GLY 546 H GLY 546 10.648 3.914 -1.405
134 HA2 GLY 546 2HA GLY 546 12.362 3.436 0.742
135 HA3 GLY 546 HA3 GLY 546 12.756 3.058 -0.939
136 H ALA 547 H ALA 547 12.784 5.699 -1.923
137 HA ALA 547 HA ALA 547 15.430 6.514 -1.133
138 HB1 ALA 547 3HB ALA 547 13.431 7.724 -3.149
139 HB2 ALA 547 1HB ALA 547 15.150 8.160 -3.042
140 HB3 ALA 547 2HB ALA 547 14.686 6.521 -3.522
141 H ALA 548 H ALA 548 12.276 7.490 -0.142
142 HA ALA 548 HA ALA 548 13.261 9.970 1.162
143 HB1 ALA 548 3HB ALA 548 10.844 10.324 1.631
144 HB2 ALA 548 1HB ALA 548 11.065 9.952 -0.080
145 HB3 ALA 548 2HB ALA 548 10.465 8.704 1.013
146 H VAL 549 H VAL 549 12.733 6.683 1.908
147 HA VAL 549 HA VAL 549 12.543 7.274 4.835
148 HB VAL 549 HB VAL 549 11.535 4.888 3.210
149 HG11 VAL 549 1HG1 VAL 549 11.434 5.278 6.248
150 HG12 VAL 549 2HG1 VAL 549 10.520 4.040 5.347
151 HG13 VAL 549 3HG1 VAL 549 12.286 3.981 5.386
152 HG21 VAL 549 3HG2 VAL 549 10.014 6.963 4.902
153 HG22 VAL 549 1HG2 VAL 549 10.108 6.985 3.133
154 HG23 VAL 549 2HG2 VAL 549 9.297 5.651 3.958
155 H LEU 550 H LEU 550 14.291 5.358 2.445
156 HA LEU 550 HA LEU 550 15.925 4.058 4.547
157 HB2 LEU 550 2HB LEU 550 16.090 3.459 1.573
158 HB3 LEU 550 HB3 LEU 550 16.542 2.430 2.913
159 HG LEU 550 HG LEU 550 13.671 3.244 2.269
160 HD11 LEU 550 1HD1 LEU 550 13.388 1.059 1.218
161 HD12 LEU 550 2HD1 LEU 550 15.099 0.667 1.500
162 HD13 LEU 550 3HD1 LEU 550 14.652 1.976 0.382
163 HD21 LEU 550 3HD2 LEU 550 14.685 1.008 4.046
164 HD22 LEU 550 1HD2 LEU 550 12.991 1.402 3.684
165 HD23 LEU 550 2HD2 LEU 550 13.988 2.543 4.606
166 H PHE 551 H PHE 551 16.187 5.850 1.509
167 HA PHE 551 HA PHE 551 19.104 6.108 1.689
168 HB2 PHE 551 2HB PHE 551 17.766 5.938 -0.435
169 HB3 PHE 551 HB3 PHE 551 17.196 7.569 -0.160
170 HD1 PHE 551 HD1 PHE 551 20.251 5.526 -0.824
171 HD2 PHE 551 HD2 PHE 551 18.544 9.493 -0.711
172 HE1 PHE 551 HE1 PHE 551 22.251 6.414 -1.983
173 HE2 PHE 551 HE2 PHE 551 20.544 10.381 -1.878
174 HZ PHE 551 HZ PHE 551 22.409 8.838 -2.521
Start of MODEL 7
1 H1 LEU 532 H1 LEU 532 1.763 -1.612 0.245
2 H2 LEU 532 H2 LEU 532 1.124 -0.133 0.115
3 H3 LEU 532 H3 LEU 532 2.643 -0.302 0.678
4 HA LEU 532 HA LEU 532 2.678 0.488 -1.645
5 HB2 LEU 532 2HB LEU 532 4.182 -1.606 -0.488
6 HB3 LEU 532 HB3 LEU 532 3.670 -2.345 -1.977
7 HG LEU 532 HG LEU 532 5.896 -1.380 -2.113
8 HD11 LEU 532 1HD1 LEU 532 4.113 0.321 -3.881
9 HD12 LEU 532 2HD1 LEU 532 4.460 -1.392 -4.188
10 HD13 LEU 532 3HD1 LEU 532 5.763 -0.203 -4.210
11 HD21 LEU 532 3HD2 LEU 532 6.393 0.982 -1.919
12 HD22 LEU 532 1HD2 LEU 532 5.588 0.471 -0.442
13 HD23 LEU 532 2HD2 LEU 532 4.712 1.412 -1.669
14 H VAL 533 H VAL 533 2.384 -0.084 -3.964
15 HA VAL 533 HA VAL 533 -0.245 -1.016 -4.628
16 HB VAL 533 HB VAL 533 2.168 -0.550 -6.415
17 HG11 VAL 533 1HG1 VAL 533 0.467 -0.319 -8.290
18 HG12 VAL 533 2HG1 VAL 533 0.637 -1.960 -7.696
19 HG13 VAL 533 3HG1 VAL 533 -0.761 -0.986 -7.198
20 HG21 VAL 533 3HG2 VAL 533 1.045 1.618 -6.951
21 HG22 VAL 533 1HG2 VAL 533 -0.224 1.256 -5.785
22 HG23 VAL 533 2HG2 VAL 533 1.443 1.514 -5.242
23 H ARG 534 H ARG 534 -0.880 -2.804 -5.706
24 HA ARG 534 HA ARG 534 0.169 -5.202 -4.511
25 HB2 ARG 534 2HB ARG 534 -2.144 -4.884 -6.515
26 HB3 ARG 534 HB3 ARG 534 -1.721 -6.342 -5.656
27 HG2 ARG 534 2HG ARG 534 -3.423 -5.557 -4.324
28 HG3 ARG 534 HG3 ARG 534 -2.022 -4.998 -3.445
29 HD2 ARG 534 2HD ARG 534 -3.774 -3.256 -3.517
30 HD3 ARG 534 HD3 ARG 534 -2.362 -2.677 -4.354
31 HE ARG 534 HE ARG 534 -3.566 -2.546 -6.310
32 HH11 ARG 534 1HH1 ARG 534 -5.483 -4.608 -4.148
33 HH12 ARG 534 2HH1 ARG 534 -6.836 -4.611 -5.239
34 HH21 ARG 534 1HH2 ARG 534 -5.333 -2.630 -7.659
35 HH22 ARG 534 2HH2 ARG 534 -6.758 -3.508 -7.192
36 H VAL 535 H VAL 535 -0.309 -4.354 -7.929
37 HA VAL 535 HA VAL 535 1.091 -6.774 -8.793
38 HB VAL 535 HB VAL 535 0.373 -6.181 -11.076
39 HG11 VAL 535 1HG1 VAL 535 -1.914 -5.946 -9.051
40 HG12 VAL 535 2HG1 VAL 535 -2.050 -6.460 -10.735
41 HG13 VAL 535 3HG1 VAL 535 -1.150 -7.452 -9.569
42 HG21 VAL 535 3HG2 VAL 535 -0.897 -3.664 -9.848
43 HG22 VAL 535 1HG2 VAL 535 0.482 -3.670 -10.952
44 HG23 VAL 535 2HG2 VAL 535 -1.095 -4.237 -11.509
45 H ALA 536 H ALA 536 2.237 -3.580 -8.234
46 HA ALA 536 HA ALA 536 4.708 -4.114 -9.760
47 HB1 ALA 536 3HB ALA 536 2.950 -1.628 -10.182
48 HB2 ALA 536 1HB ALA 536 4.559 -1.900 -10.879
49 HB3 ALA 536 2HB ALA 536 3.210 -2.927 -11.369
50 H ARG 537 H ARG 537 6.380 -3.508 -8.634
51 HA ARG 537 HA ARG 537 6.184 -1.426 -6.495
52 HB2 ARG 537 2HB ARG 537 7.708 -4.055 -6.061
53 HB3 ARG 537 HB3 ARG 537 7.483 -2.738 -4.942
54 HG2 ARG 537 2HG ARG 537 5.856 -4.080 -4.088
55 HG3 ARG 537 HG3 ARG 537 4.847 -3.334 -5.310
56 HD2 ARG 537 2HD ARG 537 5.390 -5.282 -6.863
57 HD3 ARG 537 HD3 ARG 537 6.321 -6.021 -5.586
58 HE ARG 537 HE ARG 537 3.423 -5.951 -5.883
59 HH11 ARG 537 1HH1 ARG 537 5.897 -6.294 -3.360
60 HH12 ARG 537 2HH1 ARG 537 4.810 -7.184 -2.326
61 HH21 ARG 537 1HH2 ARG 537 2.146 -7.061 -4.574
62 HH22 ARG 537 2HH2 ARG 537 2.679 -7.584 -2.991
63 H LYS 538 H LYS 538 8.477 -3.631 -8.156
64 HA LYS 538 HA LYS 538 10.773 -2.066 -7.917
65 HB2 LYS 538 2HB LYS 538 10.643 -4.491 -8.467
66 HB3 LYS 538 HB3 LYS 538 10.093 -4.096 -10.095
67 HG2 LYS 538 2HG LYS 538 12.230 -2.923 -10.571
68 HG3 LYS 538 HG3 LYS 538 12.747 -3.100 -8.896
69 HD2 LYS 538 2HD LYS 538 12.749 -5.609 -9.176
70 HD3 LYS 538 HD3 LYS 538 12.254 -5.405 -10.861
71 HE2 LYS 538 2HE LYS 538 14.382 -4.117 -11.331
72 HE3 LYS 538 HE3 LYS 538 14.860 -4.291 -9.639
73 HZ1 LYS 538 3HZ LYS 538 14.432 -6.569 -11.515
74 HZ2 LYS 538 1HZ LYS 538 14.887 -6.720 -9.946
75 HZ3 LYS 538 2HZ LYS 538 15.883 -6.002 -11.026
76 H LEU 539 H LEU 539 11.496 -0.291 -8.822
77 HA LEU 539 HA LEU 539 11.618 1.660 -9.976
78 HB2 LEU 539 2HB LEU 539 10.821 -0.075 -12.374
79 HB3 LEU 539 HB3 LEU 539 11.501 1.530 -12.475
80 HG LEU 539 HG LEU 539 12.991 -0.824 -11.208
81 HD11 LEU 539 1HD1 LEU 539 14.283 -0.920 -13.309
82 HD12 LEU 539 2HD1 LEU 539 13.284 0.364 -14.005
83 HD13 LEU 539 3HD1 LEU 539 12.573 -1.221 -13.629
84 HD21 LEU 539 3HD2 LEU 539 13.924 1.979 -12.024
85 HD22 LEU 539 1HD2 LEU 539 14.997 0.674 -11.527
86 HD23 LEU 539 2HD2 LEU 539 13.840 1.344 -10.371
87 H ASP 540 H ASP 540 9.264 1.191 -8.564
88 HA ASP 540 HA ASP 540 7.234 2.724 -10.105
89 HB2 ASP 540 2HB ASP 540 7.088 -0.065 -9.567
90 HB3 ASP 540 HB3 ASP 540 6.021 0.583 -8.377
91 H ARG 541 H ARG 541 6.843 1.383 -6.853
92 HA ARG 541 HA ARG 541 6.353 4.186 -5.883
93 HB2 ARG 541 2HB ARG 541 4.829 1.610 -5.653
94 HB3 ARG 541 HB3 ARG 541 4.920 2.592 -4.198
95 HG2 ARG 541 2HG ARG 541 2.943 3.283 -5.269
96 HG3 ARG 541 HG3 ARG 541 4.068 4.591 -5.550
97 HD2 ARG 541 2HD ARG 541 4.476 3.776 -7.878
98 HD3 ARG 541 HD3 ARG 541 3.444 2.371 -7.567
99 HE ARG 541 HE ARG 541 2.059 4.832 -7.017
100 HH11 ARG 541 1HH1 ARG 541 3.024 2.841 -9.787
101 HH12 ARG 541 2HH1 ARG 541 1.706 3.440 -10.763
102 HH21 ARG 541 1HH2 ARG 541 0.407 5.537 -8.314
103 HH22 ARG 541 2HH2 ARG 541 0.260 4.977 -9.953
104 H TYR 542 H TYR 542 7.446 0.936 -4.793
105 HA TYR 542 HA TYR 542 8.515 1.805 -2.307
106 HB2 TYR 542 2HB TYR 542 9.078 -0.337 -2.057
107 HB3 TYR 542 HB3 TYR 542 8.186 -0.627 -3.516
108 HD1 TYR 542 HD2 TYR 542 9.911 0.163 -5.698
109 HD2 TYR 542 HD1 TYR 542 10.985 -1.717 -1.973
110 HE1 TYR 542 HE2 TYR 542 11.945 -0.684 -6.754
111 HE2 TYR 542 HE1 TYR 542 13.030 -2.650 -3.050
112 HH TYR 542 HH TYR 542 14.290 -2.777 -4.985
113 H SER 543 H SER 543 9.666 2.333 -5.468
114 HA SER 543 HA SER 543 12.370 3.076 -5.164
115 HB2 SER 543 2HB SER 543 10.012 3.950 -6.926
116 HB3 SER 543 HB3 SER 543 11.606 4.596 -7.153
117 HG SER 543 HG SER 543 12.368 2.483 -7.594
118 H GLU 544 H GLU 544 9.376 5.096 -4.886
119 HA GLU 544 HA GLU 544 11.046 7.469 -4.339
120 HB2 GLU 544 2HB GLU 544 8.914 8.664 -4.115
121 HB3 GLU 544 HB3 GLU 544 9.189 7.936 -5.709
122 HG2 GLU 544 2HG GLU 544 7.601 6.129 -5.198
123 HG3 GLU 544 HG3 GLU 544 7.408 6.697 -3.548
124 H TYR 545 H TYR 545 8.799 5.350 -2.583
125 HA TYR 545 HA TYR 545 9.056 6.818 -0.096
126 HB2 TYR 545 2HB TYR 545 8.284 3.890 -0.535
127 HB3 TYR 545 HB3 TYR 545 8.009 4.798 0.937
128 HD1 TYR 545 HD1 TYR 545 6.696 7.185 0.499
129 HD2 TYR 545 HD2 TYR 545 6.429 3.640 -1.930
130 HE1 TYR 545 HE1 TYR 545 4.579 8.020 -0.493
131 HE2 TYR 545 HE2 TYR 545 4.367 4.500 -2.985
132 HH TYR 545 HH TYR 545 2.887 7.623 -2.031
133 H GLY 546 H GLY 546 10.638 3.896 -1.372
134 HA2 GLY 546 2HA GLY 546 12.301 3.326 0.774
135 HA3 GLY 546 HA3 GLY 546 12.695 2.946 -0.900
136 H ALA 547 H ALA 547 12.874 5.613 -1.852
137 HA ALA 547 HA ALA 547 15.584 6.176 -1.022
138 HB1 ALA 547 3HB ALA 547 13.771 7.576 -3.072
139 HB2 ALA 547 1HB ALA 547 15.527 7.803 -2.937
140 HB3 ALA 547 2HB ALA 547 14.869 6.238 -3.435
141 H ALA 548 H ALA 548 12.485 7.413 -0.151
142 HA ALA 548 HA ALA 548 13.582 9.849 1.140
143 HB1 ALA 548 3HB ALA 548 11.172 10.338 1.526
144 HB2 ALA 548 1HB ALA 548 11.453 9.987 -0.182
145 HB3 ALA 548 2HB ALA 548 10.722 8.762 0.864
146 H VAL 549 H VAL 549 12.797 6.628 1.937
147 HA VAL 549 HA VAL 549 12.595 7.295 4.842
148 HB VAL 549 HB VAL 549 11.490 4.926 3.256
149 HG11 VAL 549 1HG1 VAL 549 11.288 5.420 6.277
150 HG12 VAL 549 2HG1 VAL 549 10.348 4.227 5.379
151 HG13 VAL 549 3HG1 VAL 549 12.095 4.064 5.483
152 HG21 VAL 549 3HG2 VAL 549 10.191 7.110 3.056
153 HG22 VAL 549 1HG2 VAL 549 9.273 5.850 3.878
154 HG23 VAL 549 2HG2 VAL 549 10.023 7.142 4.814
155 H LEU 550 H LEU 550 14.265 5.205 2.532
156 HA LEU 550 HA LEU 550 15.762 3.872 4.709
157 HB2 LEU 550 2HB LEU 550 15.944 3.161 1.763
158 HB3 LEU 550 HB3 LEU 550 16.299 2.152 3.146
159 HG LEU 550 HG LEU 550 13.503 3.132 2.405
160 HD11 LEU 550 1HD1 LEU 550 14.443 1.738 0.599
161 HD12 LEU 550 2HD1 LEU 550 13.098 0.920 1.403
162 HD13 LEU 550 3HD1 LEU 550 14.769 0.441 1.750
163 HD21 LEU 550 3HD2 LEU 550 13.730 2.490 4.766
164 HD22 LEU 550 1HD2 LEU 550 14.323 0.883 4.278
165 HD23 LEU 550 2HD2 LEU 550 12.664 1.399 3.870
166 H PHE 551 H PHE 551 16.214 5.544 1.634
167 HA PHE 551 HA PHE 551 19.136 5.463 1.802
168 HB2 PHE 551 2HB PHE 551 17.775 5.448 -0.327
169 HB3 PHE 551 HB3 PHE 551 17.464 7.157 -0.078
170 HD1 PHE 551 HD1 PHE 551 20.181 4.635 -0.618
171 HD2 PHE 551 HD2 PHE 551 19.088 8.815 -0.714
172 HE1 PHE 551 HE1 PHE 551 22.304 5.164 -1.780
173 HE2 PHE 551 HE2 PHE 551 21.214 9.332 -1.914
174 HZ PHE 551 HZ PHE 551 22.817 7.521 -2.435
Start of MODEL 8
1 H1 LEU 532 H1 LEU 532 0.083 1.310 -0.525
2 H2 LEU 532 H2 LEU 532 1.425 1.444 0.378
3 H3 LEU 532 H3 LEU 532 0.763 -0.015 0.095
4 HA LEU 532 HA LEU 532 1.988 1.720 -2.006
5 HB2 LEU 532 2HB LEU 532 3.440 0.560 -0.192
6 HB3 LEU 532 HB3 LEU 532 3.094 -0.964 -0.970
7 HG LEU 532 HG LEU 532 4.334 1.384 -2.507
8 HD11 LEU 532 1HD1 LEU 532 5.714 1.066 -0.485
9 HD12 LEU 532 2HD1 LEU 532 6.579 0.480 -1.906
10 HD13 LEU 532 3HD1 LEU 532 5.830 -0.681 -0.803
11 HD21 LEU 532 3HD2 LEU 532 4.483 -1.661 -2.879
12 HD22 LEU 532 1HD2 LEU 532 5.462 -0.513 -3.797
13 HD23 LEU 532 2HD2 LEU 532 3.714 -0.500 -3.974
14 H VAL 533 H VAL 533 1.838 0.997 -4.166
15 HA VAL 533 HA VAL 533 -0.554 -0.347 -4.871
16 HB VAL 533 HB VAL 533 1.854 0.193 -6.642
17 HG11 VAL 533 1HG1 VAL 533 0.398 -1.370 -7.830
18 HG12 VAL 533 2HG1 VAL 533 -1.062 -0.492 -7.326
19 HG13 VAL 533 3HG1 VAL 533 0.064 0.226 -8.500
20 HG21 VAL 533 3HG2 VAL 533 -0.680 1.874 -6.139
21 HG22 VAL 533 1HG2 VAL 533 0.945 2.303 -5.586
22 HG23 VAL 533 2HG2 VAL 533 0.589 2.264 -7.317
23 H ARG 534 H ARG 534 -1.006 -2.236 -5.801
24 HA ARG 534 HA ARG 534 0.552 -4.506 -4.744
25 HB2 ARG 534 2HB ARG 534 -2.256 -4.462 -5.995
26 HB3 ARG 534 HB3 ARG 534 -1.467 -5.832 -5.248
27 HG2 ARG 534 2HG ARG 534 -2.749 -5.133 -3.492
28 HG3 ARG 534 HG3 ARG 534 -1.246 -4.319 -3.096
29 HD2 ARG 534 2HD ARG 534 -2.198 -2.180 -4.086
30 HD3 ARG 534 HD3 ARG 534 -3.669 -3.054 -4.516
31 HE ARG 534 HE ARG 534 -3.139 -3.412 -1.729
32 HH11 ARG 534 1HH1 ARG 534 -4.245 -0.832 -3.897
33 HH12 ARG 534 2HH1 ARG 534 -5.113 -0.019 -2.626
34 HH21 ARG 534 1HH2 ARG 534 -4.289 -2.321 -0.149
35 HH22 ARG 534 2HH2 ARG 534 -5.142 -0.860 -0.553
36 H VAL 535 H VAL 535 -0.896 -3.620 -7.883
37 HA VAL 535 HA VAL 535 0.211 -5.838 -9.314
38 HB VAL 535 HB VAL 535 -0.482 -4.673 -11.386
39 HG11 VAL 535 1HG1 VAL 535 -2.614 -4.527 -9.204
40 HG12 VAL 535 2HG1 VAL 535 -2.890 -4.647 -10.943
41 HG13 VAL 535 3HG1 VAL 535 -2.138 -5.990 -10.075
42 HG21 VAL 535 3HG2 VAL 535 -1.324 -2.307 -9.608
43 HG22 VAL 535 1HG2 VAL 535 0.049 -2.294 -10.730
44 HG23 VAL 535 2HG2 VAL 535 -1.584 -2.471 -11.354
45 H ALA 536 H ALA 536 1.746 -2.820 -8.454
46 HA ALA 536 HA ALA 536 4.202 -3.629 -9.848
47 HB1 ALA 536 3HB ALA 536 2.920 -2.331 -11.567
48 HB2 ALA 536 1HB ALA 536 2.708 -1.003 -10.424
49 HB3 ALA 536 2HB ALA 536 4.318 -1.406 -11.020
50 H ARG 537 H ARG 537 5.706 -3.482 -8.453
51 HA ARG 537 HA ARG 537 5.665 -1.378 -6.301
52 HB2 ARG 537 2HB ARG 537 7.039 -4.143 -6.265
53 HB3 ARG 537 HB3 ARG 537 7.139 -2.925 -5.033
54 HG2 ARG 537 2HG ARG 537 5.512 -4.330 -4.154
55 HG3 ARG 537 HG3 ARG 537 4.547 -3.047 -4.864
56 HD2 ARG 537 2HD ARG 537 3.591 -5.309 -5.219
57 HD3 ARG 537 HD3 ARG 537 3.874 -4.461 -6.717
58 HE ARG 537 HE ARG 537 6.122 -6.161 -5.973
59 HH11 ARG 537 1HH1 ARG 537 2.877 -6.407 -7.410
60 HH12 ARG 537 2HH1 ARG 537 3.347 -7.734 -8.427
61 HH21 ARG 537 1HH2 ARG 537 6.619 -7.923 -7.257
62 HH22 ARG 537 2HH2 ARG 537 5.411 -8.629 -8.280
63 H LYS 538 H LYS 538 7.816 -3.410 -8.300
64 HA LYS 538 HA LYS 538 10.127 -1.861 -7.659
65 HB2 LYS 538 2HB LYS 538 11.377 -3.564 -8.857
66 HB3 LYS 538 HB3 LYS 538 10.217 -4.294 -7.762
67 HG2 LYS 538 2HG LYS 538 8.623 -4.603 -9.743
68 HG3 LYS 538 HG3 LYS 538 9.912 -4.068 -10.809
69 HD2 LYS 538 2HD LYS 538 10.067 -6.493 -8.935
70 HD3 LYS 538 HD3 LYS 538 9.678 -6.558 -10.650
71 HE2 LYS 538 2HE LYS 538 11.948 -5.548 -11.199
72 HE3 LYS 538 HE3 LYS 538 12.378 -5.632 -9.471
73 HZ1 LYS 538 3HZ LYS 538 11.678 -7.971 -11.190
74 HZ2 LYS 538 1HZ LYS 538 12.029 -8.048 -9.588
75 HZ3 LYS 538 2HZ LYS 538 13.170 -7.581 -10.658
76 H LEU 539 H LEU 539 11.326 -0.471 -8.752
77 HA LEU 539 HA LEU 539 11.712 1.303 -10.065
78 HB2 LEU 539 2HB LEU 539 12.252 -0.699 -11.670
79 HB3 LEU 539 HB3 LEU 539 10.727 -0.345 -12.441
80 HG LEU 539 HG LEU 539 11.620 2.053 -12.855
81 HD11 LEU 539 1HD1 LEU 539 14.251 0.729 -11.974
82 HD12 LEU 539 2HD1 LEU 539 13.479 2.113 -11.188
83 HD13 LEU 539 3HD1 LEU 539 14.133 2.285 -12.809
84 HD21 LEU 539 3HD2 LEU 539 11.556 0.310 -14.635
85 HD22 LEU 539 1HD2 LEU 539 13.137 -0.294 -14.123
86 HD23 LEU 539 2HD2 LEU 539 12.988 1.333 -14.801
87 H ASP 540 H ASP 540 9.427 1.332 -8.678
88 HA ASP 540 HA ASP 540 7.445 2.858 -10.285
89 HB2 ASP 540 2HB ASP 540 7.098 0.033 -9.286
90 HB3 ASP 540 HB3 ASP 540 5.741 1.073 -8.985
91 H ARG 541 H ARG 541 7.349 1.260 -7.038
92 HA ARG 541 HA ARG 541 6.486 3.911 -5.918
93 HB2 ARG 541 2HB ARG 541 5.282 1.118 -5.653
94 HB3 ARG 541 HB3 ARG 541 4.872 2.427 -4.571
95 HG2 ARG 541 2HG ARG 541 4.382 2.380 -7.586
96 HG3 ARG 541 HG3 ARG 541 3.188 2.231 -6.308
97 HD2 ARG 541 2HD ARG 541 3.842 4.609 -5.559
98 HD3 ARG 541 HD3 ARG 541 4.803 4.717 -7.036
99 HE ARG 541 HE ARG 541 2.150 3.897 -7.681
100 HH11 ARG 541 1HH1 ARG 541 3.963 6.814 -6.740
101 HH12 ARG 541 2HH1 ARG 541 2.750 7.872 -7.413
102 HH21 ARG 541 1HH2 ARG 541 0.665 5.344 -8.572
103 HH22 ARG 541 2HH2 ARG 541 0.936 7.046 -8.454
104 H TYR 542 H TYR 542 7.608 0.652 -4.878
105 HA TYR 542 HA TYR 542 8.558 1.616 -2.348
106 HB2 TYR 542 2HB TYR 542 9.105 -0.519 -1.995
107 HB3 TYR 542 HB3 TYR 542 8.185 -0.850 -3.415
108 HD1 TYR 542 HD2 TYR 542 9.998 -0.186 -5.654
109 HD2 TYR 542 HD1 TYR 542 10.869 -2.068 -1.877
110 HE1 TYR 542 HE2 TYR 542 11.907 -1.309 -6.681
111 HE2 TYR 542 HE1 TYR 542 12.830 -3.189 -2.896
112 HH TYR 542 HH TYR 542 13.724 -2.737 -6.356
113 H SER 543 H SER 543 9.806 1.994 -5.479
114 HA SER 543 HA SER 543 12.470 2.828 -5.137
115 HB2 SER 543 2HB SER 543 10.124 3.707 -6.937
116 HB3 SER 543 HB3 SER 543 11.751 4.289 -7.158
117 HG SER 543 HG SER 543 12.397 2.112 -7.574
118 H GLU 544 H GLU 544 9.463 4.862 -5.089
119 HA GLU 544 HA GLU 544 11.033 7.226 -4.439
120 HB2 GLU 544 2HB GLU 544 8.872 8.378 -4.274
121 HB3 GLU 544 HB3 GLU 544 9.187 7.618 -5.855
122 HG2 GLU 544 2HG GLU 544 7.667 5.794 -5.354
123 HG3 GLU 544 HG3 GLU 544 7.396 6.367 -3.709
124 H TYR 545 H TYR 545 8.800 5.075 -2.698
125 HA TYR 545 HA TYR 545 8.938 6.618 -0.235
126 HB2 TYR 545 2HB TYR 545 8.279 3.649 -0.621
127 HB3 TYR 545 HB3 TYR 545 7.948 4.584 0.828
128 HD1 TYR 545 HD1 TYR 545 6.586 6.959 0.209
129 HD2 TYR 545 HD2 TYR 545 6.445 3.261 -2.000
130 HE1 TYR 545 HE1 TYR 545 4.490 7.703 -0.895
131 HE2 TYR 545 HE2 TYR 545 4.446 4.055 -3.218
132 HH TYR 545 HH TYR 545 2.815 5.704 -3.362
133 H GLY 546 H GLY 546 10.677 3.729 -1.407
134 HA2 GLY 546 2HA GLY 546 12.372 3.337 0.762
135 HA3 GLY 546 HA3 GLY 546 12.797 2.961 -0.919
136 H ALA 547 H ALA 547 12.782 5.589 -1.925
137 HA ALA 547 HA ALA 547 15.390 6.481 -1.068
138 HB1 ALA 547 3HB ALA 547 15.162 8.061 -3.020
139 HB2 ALA 547 1HB ALA 547 14.719 6.412 -3.479
140 HB3 ALA 547 2HB ALA 547 13.455 7.614 -3.177
141 H ALA 548 H ALA 548 12.148 7.449 -0.261
142 HA ALA 548 HA ALA 548 13.035 9.986 0.971
143 HB1 ALA 548 3HB ALA 548 10.878 9.884 -0.343
144 HB2 ALA 548 1HB ALA 548 10.273 8.647 0.768
145 HB3 ALA 548 2HB ALA 548 10.593 10.282 1.355
146 H VAL 549 H VAL 549 12.544 6.726 1.849
147 HA VAL 549 HA VAL 549 12.262 7.454 4.727
148 HB VAL 549 HB VAL 549 11.423 4.931 3.225
149 HG11 VAL 549 1HG1 VAL 549 10.340 4.214 5.383
150 HG12 VAL 549 2HG1 VAL 549 12.089 4.200 5.485
151 HG13 VAL 549 3HG1 VAL 549 11.182 5.524 6.227
152 HG21 VAL 549 3HG2 VAL 549 9.724 7.048 4.683
153 HG22 VAL 549 1HG2 VAL 549 9.906 6.956 2.932
154 HG23 VAL 549 2HG2 VAL 549 9.113 5.638 3.797
155 H LEU 550 H LEU 550 14.137 5.465 2.488
156 HA LEU 550 HA LEU 550 15.744 4.348 4.706
157 HB2 LEU 550 2HB LEU 550 16.018 3.583 1.784
158 HB3 LEU 550 HB3 LEU 550 16.450 2.629 3.180
159 HG LEU 550 HG LEU 550 13.582 3.331 2.398
160 HD11 LEU 550 1HD1 LEU 550 15.114 0.756 1.830
161 HD12 LEU 550 2HD1 LEU 550 14.690 1.992 0.631
162 HD13 LEU 550 3HD1 LEU 550 13.406 1.072 1.446
163 HD21 LEU 550 3HD2 LEU 550 12.904 1.550 3.895
164 HD22 LEU 550 1HD2 LEU 550 13.844 2.767 4.777
165 HD23 LEU 550 2HD2 LEU 550 14.599 1.221 4.329
166 H PHE 551 H PHE 551 16.066 5.994 1.602
167 HA PHE 551 HA PHE 551 18.971 6.207 1.807
168 HB2 PHE 551 2HB PHE 551 17.652 5.989 -0.333
169 HB3 PHE 551 HB3 PHE 551 17.132 7.656 -0.142
170 HD1 PHE 551 HD2 PHE 551 20.130 5.485 -0.650
171 HD2 PHE 551 HD1 PHE 551 18.547 9.495 -0.772
172 HE1 PHE 551 HE2 PHE 551 22.158 6.258 -1.865
173 HE2 PHE 551 HE1 PHE 551 20.575 10.264 -1.972
174 HZ PHE 551 HZ PHE 551 22.380 8.643 -2.529
Start of MODEL 9
1 H1 LEU 532 H1 LEU 532 0.832 3.196 -1.746
2 H2 LEU 532 H2 LEU 532 2.121 2.941 -0.785
3 H3 LEU 532 H3 LEU 532 0.838 1.931 -0.747
4 HA LEU 532 HA LEU 532 2.701 2.298 -3.048
5 HB2 LEU 532 2HB LEU 532 3.025 0.766 -0.711
6 HB3 LEU 532 HB3 LEU 532 2.493 -0.453 -1.814
7 HG LEU 532 HG LEU 532 4.779 1.486 -2.512
8 HD11 LEU 532 1HD1 LEU 532 5.364 0.555 -0.363
9 HD12 LEU 532 2HD1 LEU 532 6.386 -0.133 -1.628
10 HD13 LEU 532 3HD1 LEU 532 5.058 -1.099 -0.935
11 HD21 LEU 532 3HD2 LEU 532 4.183 -1.390 -3.422
12 HD22 LEU 532 1HD2 LEU 532 5.599 -0.446 -3.915
13 HD23 LEU 532 2HD2 LEU 532 3.991 0.064 -4.423
14 H VAL 533 H VAL 533 2.255 -0.352 -4.128
15 HA VAL 533 HA VAL 533 -0.533 -0.260 -5.160
16 HB VAL 533 HB VAL 533 1.983 -0.162 -6.879
17 HG11 VAL 533 1HG1 VAL 533 0.389 -0.207 -8.860
18 HG12 VAL 533 2HG1 VAL 533 0.485 -1.727 -8.003
19 HG13 VAL 533 3HG1 VAL 533 -0.911 -0.666 -7.752
20 HG21 VAL 533 3HG2 VAL 533 0.941 1.908 -7.858
21 HG22 VAL 533 1HG2 VAL 533 -0.398 1.758 -6.702
22 HG23 VAL 533 2HG2 VAL 533 1.235 2.102 -6.136
23 H ARG 534 H ARG 534 -1.191 -2.187 -6.086
24 HA ARG 534 HA ARG 534 -0.174 -4.501 -4.609
25 HB2 ARG 534 2HB ARG 534 -2.584 -4.275 -6.509
26 HB3 ARG 534 HB3 ARG 534 -2.144 -5.693 -5.591
27 HG2 ARG 534 2HG ARG 534 -3.740 -4.801 -4.215
28 HG3 ARG 534 HG3 ARG 534 -2.279 -4.189 -3.450
29 HD2 ARG 534 2HD ARG 534 -2.651 -1.952 -4.531
30 HD3 ARG 534 HD3 ARG 534 -4.021 -2.608 -5.428
31 HE ARG 534 HE ARG 534 -4.358 -3.018 -2.595
32 HH11 ARG 534 1HH1 ARG 534 -4.645 -0.439 -5.008
33 HH12 ARG 534 2HH1 ARG 534 -5.790 0.442 -4.045
34 HH21 ARG 534 1HH2 ARG 534 -5.872 -1.842 -1.436
35 HH22 ARG 534 2HH2 ARG 534 -6.479 -0.338 -2.061
36 H VAL 535 H VAL 535 -0.794 -3.881 -8.052
37 HA VAL 535 HA VAL 535 0.361 -6.390 -8.881
38 HB VAL 535 HB VAL 535 -0.118 -5.656 -11.194
39 HG11 VAL 535 1HG1 VAL 535 -2.446 -5.091 -9.281
40 HG12 VAL 535 2HG1 VAL 535 -2.568 -5.546 -10.990
41 HG13 VAL 535 3HG1 VAL 535 -1.920 -6.692 -9.810
42 HG21 VAL 535 3HG2 VAL 535 -1.034 -2.985 -9.992
43 HG22 VAL 535 1HG2 VAL 535 0.398 -3.218 -11.012
44 HG23 VAL 535 2HG2 VAL 535 -1.223 -3.503 -11.670
45 H ALA 536 H ALA 536 1.896 -3.337 -8.357
46 HA ALA 536 HA ALA 536 4.417 -4.316 -9.518
47 HB1 ALA 536 3HB ALA 536 3.043 -1.672 -10.311
48 HB2 ALA 536 1HB ALA 536 4.685 -2.166 -10.772
49 HB3 ALA 536 2HB ALA 536 3.292 -3.066 -11.384
50 H ARG 537 H ARG 537 6.135 -3.522 -8.505
51 HA ARG 537 HA ARG 537 5.908 -1.343 -6.485
52 HB2 ARG 537 2HB ARG 537 7.330 -4.000 -5.789
53 HB3 ARG 537 HB3 ARG 537 7.152 -2.580 -4.789
54 HG2 ARG 537 2HG ARG 537 5.474 -3.825 -3.868
55 HG3 ARG 537 HG3 ARG 537 4.515 -3.083 -5.128
56 HD2 ARG 537 2HD ARG 537 5.033 -5.166 -6.576
57 HD3 ARG 537 HD3 ARG 537 5.769 -5.893 -5.170
58 HE ARG 537 HE ARG 537 2.938 -5.561 -5.764
59 HH11 ARG 537 1HH1 ARG 537 5.113 -5.997 -2.996
60 HH12 ARG 537 2HH1 ARG 537 3.856 -6.726 -2.039
61 HH21 ARG 537 1HH2 ARG 537 1.446 -6.500 -4.551
62 HH22 ARG 537 2HH2 ARG 537 1.779 -7.022 -2.913
63 H LYS 538 H LYS 538 8.082 -3.738 -7.966
64 HA LYS 538 HA LYS 538 10.506 -2.399 -7.809
65 HB2 LYS 538 2HB LYS 538 11.311 -3.892 -9.566
66 HB3 LYS 538 HB3 LYS 538 10.388 -4.721 -8.320
67 HG2 LYS 538 2HG LYS 538 8.374 -4.761 -9.895
68 HG3 LYS 538 HG3 LYS 538 9.359 -3.966 -11.112
69 HD2 LYS 538 2HD LYS 538 9.329 -6.279 -11.648
70 HD3 LYS 538 HD3 LYS 538 10.950 -5.899 -11.094
71 HE2 LYS 538 2HE LYS 538 10.476 -6.936 -8.857
72 HE3 LYS 538 HE3 LYS 538 8.783 -7.203 -9.329
73 HZ1 LYS 538 3HZ LYS 538 9.565 -8.698 -11.075
74 HZ2 LYS 538 1HZ LYS 538 10.138 -9.202 -9.634
75 HZ3 LYS 538 2HZ LYS 538 11.134 -8.445 -10.684
76 H LEU 539 H LEU 539 11.373 -0.678 -8.657
77 HA LEU 539 HA LEU 539 11.695 1.261 -9.777
78 HB2 LEU 539 2HB LEU 539 10.654 -0.228 -12.242
79 HB3 LEU 539 HB3 LEU 539 11.686 1.185 -12.232
80 HG LEU 539 HG LEU 539 12.509 -1.565 -11.187
81 HD11 LEU 539 1HD1 LEU 539 13.929 -1.661 -13.219
82 HD12 LEU 539 2HD1 LEU 539 13.282 -0.109 -13.776
83 HD13 LEU 539 3HD1 LEU 539 12.217 -1.515 -13.651
84 HD21 LEU 539 3HD2 LEU 539 14.150 1.012 -11.539
85 HD22 LEU 539 1HD2 LEU 539 14.819 -0.587 -11.160
86 HD23 LEU 539 2HD2 LEU 539 13.762 0.221 -9.994
87 H ASP 540 H ASP 540 9.129 0.943 -8.456
88 HA ASP 540 HA ASP 540 7.317 2.594 -10.148
89 HB2 ASP 540 2HB ASP 540 6.951 -0.141 -9.535
90 HB3 ASP 540 HB3 ASP 540 5.913 0.608 -8.378
91 H ARG 541 H ARG 541 6.950 1.364 -6.835
92 HA ARG 541 HA ARG 541 6.449 4.191 -5.909
93 HB2 ARG 541 2HB ARG 541 4.800 1.683 -5.783
94 HB3 ARG 541 HB3 ARG 541 4.889 2.646 -4.320
95 HG2 ARG 541 2HG ARG 541 2.986 3.444 -5.406
96 HG3 ARG 541 HG3 ARG 541 4.190 4.700 -5.631
97 HD2 ARG 541 2HD ARG 541 4.593 3.899 -7.976
98 HD3 ARG 541 HD3 ARG 541 3.460 2.565 -7.715
99 HE ARG 541 HE ARG 541 2.230 5.120 -7.147
100 HH11 ARG 541 1HH1 ARG 541 3.136 3.077 -9.903
101 HH12 ARG 541 2HH1 ARG 541 1.941 3.819 -10.942
102 HH21 ARG 541 1HH2 ARG 541 0.719 6.001 -8.526
103 HH22 ARG 541 2HH2 ARG 541 0.586 5.446 -10.160
104 H TYR 542 H TYR 542 7.373 0.908 -4.743
105 HA TYR 542 HA TYR 542 8.427 1.794 -2.263
106 HB2 TYR 542 2HB TYR 542 8.998 -0.345 -1.968
107 HB3 TYR 542 HB3 TYR 542 8.048 -0.634 -3.387
108 HD1 TYR 542 HD2 TYR 542 9.784 0.097 -5.623
109 HD2 TYR 542 HD1 TYR 542 10.787 -1.865 -1.924
110 HE1 TYR 542 HE2 TYR 542 11.733 -0.915 -6.716
111 HE2 TYR 542 HE1 TYR 542 12.737 -2.937 -3.020
112 HH TYR 542 HH TYR 542 13.958 -3.160 -4.981
113 H SER 543 H SER 543 9.655 2.225 -5.418
114 HA SER 543 HA SER 543 12.359 2.984 -5.072
115 HB2 SER 543 2HB SER 543 10.020 3.800 -6.889
116 HB3 SER 543 HB3 SER 543 11.596 4.506 -7.092
117 HG SER 543 HG SER 543 12.434 2.417 -7.522
118 H GLU 544 H GLU 544 9.383 5.067 -4.966
119 HA GLU 544 HA GLU 544 11.039 7.402 -4.331
120 HB2 GLU 544 2HB GLU 544 8.888 8.604 -4.097
121 HB3 GLU 544 HB3 GLU 544 9.180 7.893 -5.701
122 HG2 GLU 544 2HG GLU 544 7.622 6.070 -5.225
123 HG3 GLU 544 HG3 GLU 544 7.400 6.623 -3.567
124 H TYR 545 H TYR 545 8.782 5.289 -2.562
125 HA TYR 545 HA TYR 545 9.026 6.761 -0.085
126 HB2 TYR 545 2HB TYR 545 8.358 3.794 -0.483
127 HB3 TYR 545 HB3 TYR 545 8.092 4.714 0.987
128 HD1 TYR 545 HD1 TYR 545 6.605 6.955 0.663
129 HD2 TYR 545 HD2 TYR 545 6.554 3.518 -1.936
130 HE1 TYR 545 HE1 TYR 545 4.381 7.649 -0.208
131 HE2 TYR 545 HE2 TYR 545 4.416 4.258 -2.887
132 HH TYR 545 HH TYR 545 2.674 7.185 -1.707
133 H GLY 546 H GLY 546 10.687 3.873 -1.370
134 HA2 GLY 546 2HA GLY 546 12.399 3.348 0.750
135 HA3 GLY 546 HA3 GLY 546 12.785 2.995 -0.935
136 H ALA 547 H ALA 547 12.877 5.646 -1.870
137 HA ALA 547 HA ALA 547 15.561 6.358 -1.064
138 HB1 ALA 547 3HB ALA 547 14.819 6.363 -3.457
139 HB2 ALA 547 1HB ALA 547 13.639 7.647 -3.097
140 HB3 ALA 547 2HB ALA 547 15.372 7.975 -2.981
141 H ALA 548 H ALA 548 12.411 7.445 -0.154
142 HA ALA 548 HA ALA 548 13.424 9.929 1.114
143 HB1 ALA 548 3HB ALA 548 11.261 9.948 -0.177
144 HB2 ALA 548 1HB ALA 548 10.602 8.730 0.928
145 HB3 ALA 548 2HB ALA 548 11.011 10.341 1.528
146 H VAL 549 H VAL 549 12.765 6.669 1.925
147 HA VAL 549 HA VAL 549 12.566 7.345 4.827
148 HB VAL 549 HB VAL 549 11.544 4.937 3.245
149 HG11 VAL 549 1HG1 VAL 549 12.182 4.072 5.470
150 HG12 VAL 549 2HG1 VAL 549 11.381 5.433 6.274
151 HG13 VAL 549 3HG1 VAL 549 10.437 4.219 5.404
152 HG21 VAL 549 3HG2 VAL 549 10.165 7.058 3.051
153 HG22 VAL 549 1HG2 VAL 549 9.290 5.778 3.896
154 HG23 VAL 549 2HG2 VAL 549 10.023 7.103 4.809
155 H LEU 550 H LEU 550 14.300 5.314 2.509
156 HA LEU 550 HA LEU 550 15.846 4.035 4.675
157 HB2 LEU 550 2HB LEU 550 16.056 3.350 1.721
158 HB3 LEU 550 HB3 LEU 550 16.445 2.338 3.091
159 HG LEU 550 HG LEU 550 13.618 3.214 2.367
160 HD11 LEU 550 1HD1 LEU 550 13.311 1.001 1.347
161 HD12 LEU 550 2HD1 LEU 550 15.002 0.575 1.702
162 HD13 LEU 550 3HD1 LEU 550 14.621 1.864 0.543
163 HD21 LEU 550 3HD2 LEU 550 14.549 1.006 4.231
164 HD22 LEU 550 1HD2 LEU 550 12.859 1.419 3.840
165 HD23 LEU 550 2HD2 LEU 550 13.863 2.569 4.728
166 H PHE 551 H PHE 551 16.236 5.738 1.611
167 HA PHE 551 HA PHE 551 19.146 5.806 1.784
168 HB2 PHE 551 2HB PHE 551 17.800 5.715 -0.344
169 HB3 PHE 551 HB3 PHE 551 17.369 7.393 -0.096
170 HD1 PHE 551 HD2 PHE 551 20.201 5.055 -0.734
171 HD2 PHE 551 HD1 PHE 551 18.930 9.173 -0.629
172 HE1 PHE 551 HE2 PHE 551 22.282 5.731 -1.900
173 HE2 PHE 551 HE1 PHE 551 21.013 9.842 -1.818
174 HZ PHE 551 HZ PHE 551 22.696 8.128 -2.438
Start of MODEL 10
1 H1 LEU 532 H1 LEU 532 1.953 -1.502 0.615
2 H2 LEU 532 H2 LEU 532 1.229 -0.077 0.393
3 H3 LEU 532 H3 LEU 532 2.753 -0.121 0.964
4 HA LEU 532 HA LEU 532 2.755 0.524 -1.417
5 HB2 LEU 532 2HB LEU 532 4.402 -1.358 -0.126
6 HB3 LEU 532 HB3 LEU 532 3.913 -2.277 -1.504
7 HG LEU 532 HG LEU 532 6.061 -1.222 -1.860
8 HD11 LEU 532 1HD1 LEU 532 5.783 -0.223 -4.017
9 HD12 LEU 532 2HD1 LEU 532 4.133 0.295 -3.655
10 HD13 LEU 532 3HD1 LEU 532 4.506 -1.428 -3.847
11 HD21 LEU 532 3HD2 LEU 532 4.754 1.519 -1.471
12 HD22 LEU 532 1HD2 LEU 532 6.425 1.209 -1.914
13 HD23 LEU 532 2HD2 LEU 532 5.836 0.719 -0.325
14 H VAL 533 H VAL 533 2.380 -0.109 -3.673
15 HA VAL 533 HA VAL 533 -0.048 -1.498 -4.290
16 HB VAL 533 HB VAL 533 2.298 -0.927 -6.143
17 HG11 VAL 533 1HG1 VAL 533 0.839 -2.522 -7.247
18 HG12 VAL 533 2HG1 VAL 533 -0.615 -1.663 -6.724
19 HG13 VAL 533 3HG1 VAL 533 0.465 -0.956 -7.946
20 HG21 VAL 533 3HG2 VAL 533 -0.188 0.776 -5.557
21 HG22 VAL 533 1HG2 VAL 533 1.478 1.206 -5.142
22 HG23 VAL 533 2HG2 VAL 533 0.992 1.112 -6.833
23 H ARG 534 H ARG 534 -0.378 -3.489 -5.183
24 HA ARG 534 HA ARG 534 1.290 -5.545 -3.917
25 HB2 ARG 534 2HB ARG 534 -1.433 -5.713 -5.326
26 HB3 ARG 534 HB3 ARG 534 -0.615 -7.063 -4.573
27 HG2 ARG 534 2HG ARG 534 -2.074 -6.397 -2.895
28 HG3 ARG 534 HG3 ARG 534 -0.566 -5.678 -2.374
29 HD2 ARG 534 2HD ARG 534 -1.338 -3.432 -3.228
30 HD3 ARG 534 HD3 ARG 534 -2.780 -4.157 -3.885
31 HE ARG 534 HE ARG 534 -2.142 -3.552 -1.082
32 HH11 ARG 534 1HH1 ARG 534 -4.407 -5.355 -3.127
33 HH12 ARG 534 2HH1 ARG 534 -5.633 -5.386 -1.885
34 HH21 ARG 534 1HH2 ARG 534 -3.766 -3.648 0.465
35 HH22 ARG 534 2HH2 ARG 534 -5.263 -4.451 0.110
36 H VAL 535 H VAL 535 0.077 -4.955 -7.195
37 HA VAL 535 HA VAL 535 1.453 -7.251 -8.317
38 HB VAL 535 HB VAL 535 0.504 -6.579 -10.490
39 HG11 VAL 535 1HG1 VAL 535 -1.576 -6.433 -8.248
40 HG12 VAL 535 2HG1 VAL 535 -1.851 -6.896 -9.936
41 HG13 VAL 535 3HG1 VAL 535 -0.857 -7.921 -8.887
42 HG21 VAL 535 3HG2 VAL 535 -0.626 -4.122 -9.048
43 HG22 VAL 535 1HG2 VAL 535 0.635 -4.095 -10.302
44 HG23 VAL 535 2HG2 VAL 535 -1.001 -4.634 -10.697
45 H ALA 536 H ALA 536 2.544 -4.004 -7.817
46 HA ALA 536 HA ALA 536 4.964 -4.471 -9.426
47 HB1 ALA 536 3HB ALA 536 2.973 -2.192 -10.019
48 HB2 ALA 536 1HB ALA 536 4.587 -2.376 -10.735
49 HB3 ALA 536 2HB ALA 536 3.319 -3.556 -11.083
50 H ARG 537 H ARG 537 6.485 -3.988 -8.089
51 HA ARG 537 HA ARG 537 6.326 -1.562 -6.312
52 HB2 ARG 537 2HB ARG 537 7.855 -4.161 -5.725
53 HB3 ARG 537 HB3 ARG 537 7.817 -2.709 -4.731
54 HG2 ARG 537 2HG ARG 537 6.102 -3.673 -3.602
55 HG3 ARG 537 HG3 ARG 537 5.095 -3.262 -4.976
56 HD2 ARG 537 2HD ARG 537 4.720 -5.599 -4.485
57 HD3 ARG 537 HD3 ARG 537 5.593 -5.513 -6.004
58 HE ARG 537 HE ARG 537 7.126 -5.860 -3.463
59 HH11 ARG 537 1HH1 ARG 537 5.925 -7.520 -6.346
60 HH12 ARG 537 2HH1 ARG 537 7.095 -8.804 -6.202
61 HH21 ARG 537 1HH2 ARG 537 8.583 -7.540 -3.323
62 HH22 ARG 537 2HH2 ARG 537 8.545 -8.832 -4.484
63 H LYS 538 H LYS 538 8.551 -3.818 -7.951
64 HA LYS 538 HA LYS 538 10.890 -2.315 -7.855
65 HB2 LYS 538 2HB LYS 538 10.726 -4.715 -8.386
66 HB3 LYS 538 HB3 LYS 538 9.969 -4.353 -9.934
67 HG2 LYS 538 2HG LYS 538 12.024 -3.270 -10.743
68 HG3 LYS 538 HG3 LYS 538 12.753 -3.362 -9.135
69 HD2 LYS 538 2HD LYS 538 13.739 -5.106 -10.454
70 HD3 LYS 538 HD3 LYS 538 12.696 -5.877 -9.277
71 HE2 LYS 538 2HE LYS 538 10.930 -6.209 -11.049
72 HE3 LYS 538 HE3 LYS 538 11.932 -5.324 -12.221
73 HZ1 LYS 538 3HZ LYS 538 12.190 -7.741 -12.425
74 HZ2 LYS 538 1HZ LYS 538 12.726 -7.884 -10.894
75 HZ3 LYS 538 2HZ LYS 538 13.618 -7.074 -12.000
76 H LEU 539 H LEU 539 11.542 -0.512 -8.742
77 HA LEU 539 HA LEU 539 11.567 1.458 -9.854
78 HB2 LEU 539 2HB LEU 539 11.201 -0.492 -12.175
79 HB3 LEU 539 HB3 LEU 539 11.225 1.223 -12.456
80 HG LEU 539 HG LEU 539 13.461 1.411 -11.299
81 HD11 LEU 539 1HD1 LEU 539 14.857 -0.655 -11.146
82 HD12 LEU 539 2HD1 LEU 539 13.445 -1.645 -11.522
83 HD13 LEU 539 3HD1 LEU 539 13.518 -0.719 -10.008
84 HD21 LEU 539 3HD2 LEU 539 13.214 1.415 -13.765
85 HD22 LEU 539 1HD2 LEU 539 13.304 -0.355 -13.795
86 HD23 LEU 539 2HD2 LEU 539 14.706 0.601 -13.295
87 H ASP 540 H ASP 540 9.287 1.008 -8.444
88 HA ASP 540 HA ASP 540 7.224 2.478 -9.997
89 HB2 ASP 540 2HB ASP 540 7.063 -0.289 -9.404
90 HB3 ASP 540 HB3 ASP 540 6.034 0.382 -8.193
91 H ARG 541 H ARG 541 6.790 1.241 -6.739
92 HA ARG 541 HA ARG 541 6.349 4.081 -5.840
93 HB2 ARG 541 2HB ARG 541 4.834 1.509 -5.481
94 HB3 ARG 541 HB3 ARG 541 4.965 2.540 -4.066
95 HG2 ARG 541 2HG ARG 541 2.947 3.155 -5.124
96 HG3 ARG 541 HG3 ARG 541 4.050 4.483 -5.422
97 HD2 ARG 541 2HD ARG 541 4.471 3.617 -7.737
98 HD3 ARG 541 HD3 ARG 541 3.404 2.243 -7.422
99 HE ARG 541 HE ARG 541 2.024 4.691 -6.875
100 HH11 ARG 541 1HH1 ARG 541 3.103 2.784 -9.665
101 HH12 ARG 541 2HH1 ARG 541 1.901 3.491 -10.714
102 HH21 ARG 541 1HH2 ARG 541 0.513 5.557 -8.284
103 HH22 ARG 541 2HH2 ARG 541 0.462 5.036 -9.937
104 H TYR 542 H TYR 542 7.531 0.893 -4.717
105 HA TYR 542 HA TYR 542 8.629 1.811 -2.259
106 HB2 TYR 542 2HB TYR 542 9.273 -0.323 -2.016
107 HB3 TYR 542 HB3 TYR 542 8.319 -0.649 -3.427
108 HD1 TYR 542 HD2 TYR 542 10.009 0.210 -5.683
109 HD2 TYR 542 HD1 TYR 542 11.149 -1.746 -2.023
110 HE1 TYR 542 HE2 TYR 542 12.013 -0.616 -6.800
111 HE2 TYR 542 HE1 TYR 542 13.176 -2.659 -3.151
112 HH TYR 542 HH TYR 542 13.947 -1.913 -6.584
113 H SER 543 H SER 543 9.672 2.374 -5.433
114 HA SER 543 HA SER 543 12.385 3.153 -5.179
115 HB2 SER 543 2HB SER 543 9.993 3.968 -6.935
116 HB3 SER 543 HB3 SER 543 11.578 4.651 -7.159
117 HG SER 543 HG SER 543 12.385 2.581 -7.625
118 H GLU 544 H GLU 544 9.348 5.137 -4.972
119 HA GLU 544 HA GLU 544 10.960 7.532 -4.413
120 HB2 GLU 544 2HB GLU 544 8.784 8.680 -4.178
121 HB3 GLU 544 HB3 GLU 544 9.084 7.957 -5.764
122 HG2 GLU 544 2HG GLU 544 7.575 6.091 -5.256
123 HG3 GLU 544 HG3 GLU 544 7.337 6.662 -3.606
124 H TYR 545 H TYR 545 8.775 5.395 -2.595
125 HA TYR 545 HA TYR 545 9.024 6.928 -0.131
126 HB2 TYR 545 2HB TYR 545 8.277 3.973 -0.513
127 HB3 TYR 545 HB3 TYR 545 8.024 4.927 0.949
128 HD1 TYR 545 HD1 TYR 545 6.663 7.263 0.485
129 HD2 TYR 545 HD2 TYR 545 6.445 3.679 -1.885
130 HE1 TYR 545 HE1 TYR 545 4.517 8.046 -0.493
131 HE2 TYR 545 HE2 TYR 545 4.380 4.492 -2.954
132 HH TYR 545 HH TYR 545 2.841 7.616 -2.034
133 H GLY 546 H GLY 546 10.599 3.965 -1.367
134 HA2 GLY 546 2HA GLY 546 12.184 3.414 0.839
135 HA3 GLY 546 HA3 GLY 546 12.606 2.933 -0.808
136 H ALA 547 H ALA 547 12.915 5.566 -1.854
137 HA ALA 547 HA ALA 547 15.632 6.057 -0.992
138 HB1 ALA 547 3HB ALA 547 13.874 7.477 -3.101
139 HB2 ALA 547 1HB ALA 547 15.627 7.665 -2.949
140 HB3 ALA 547 2HB ALA 547 14.939 6.100 -3.416
141 H ALA 548 H ALA 548 12.580 7.397 -0.139
142 HA ALA 548 HA ALA 548 13.773 9.810 1.130
143 HB1 ALA 548 3HB ALA 548 11.652 10.011 -0.211
144 HB2 ALA 548 1HB ALA 548 10.865 8.851 0.874
145 HB3 ALA 548 2HB ALA 548 11.381 10.420 1.488
146 H VAL 549 H VAL 549 12.824 6.627 1.928
147 HA VAL 549 HA VAL 549 12.613 7.313 4.826
148 HB VAL 549 HB VAL 549 11.425 4.995 3.216
149 HG11 VAL 549 1HG1 VAL 549 11.953 4.087 5.442
150 HG12 VAL 549 2HG1 VAL 549 11.215 5.488 6.246
151 HG13 VAL 549 3HG1 VAL 549 10.222 4.346 5.328
152 HG21 VAL 549 3HG2 VAL 549 10.222 7.227 2.997
153 HG22 VAL 549 1HG2 VAL 549 9.238 6.018 3.814
154 HG23 VAL 549 2HG2 VAL 549 10.048 7.276 4.751
155 H LEU 550 H LEU 550 14.224 5.145 2.555
156 HA LEU 550 HA LEU 550 15.646 3.771 4.757
157 HB2 LEU 550 2HB LEU 550 15.837 3.041 1.823
158 HB3 LEU 550 HB3 LEU 550 16.139 2.024 3.193
159 HG LEU 550 HG LEU 550 13.390 3.094 2.417
160 HD11 LEU 550 1HD1 LEU 550 14.571 0.358 1.806
161 HD12 LEU 550 2HD1 LEU 550 14.299 1.660 0.623
162 HD13 LEU 550 3HD1 LEU 550 12.920 0.906 1.437
163 HD21 LEU 550 3HD2 LEU 550 14.107 0.854 4.330
164 HD22 LEU 550 1HD2 LEU 550 12.473 1.411 3.894
165 HD23 LEU 550 2HD2 LEU 550 13.559 2.476 4.794
166 H PHE 551 H PHE 551 16.204 5.422 1.685
167 HA PHE 551 HA PHE 551 19.116 5.273 1.908
168 HB2 PHE 551 2HB PHE 551 17.780 5.274 -0.233
169 HB3 PHE 551 HB3 PHE 551 17.512 6.991 0.001
170 HD1 PHE 551 HD2 PHE 551 20.135 4.401 -0.562
171 HD2 PHE 551 HD1 PHE 551 19.224 8.610 -0.563
172 HE1 PHE 551 HE2 PHE 551 22.278 4.857 -1.725
173 HE2 PHE 551 HE1 PHE 551 21.375 9.067 -1.717
174 HZ PHE 551 HZ PHE 551 22.896 7.192 -2.308
Start of MODEL 11
1 H1 LEU 532 H1 LEU 532 3.085 -1.908 1.325
2 H2 LEU 532 H2 LEU 532 2.140 -2.716 0.280
3 H3 LEU 532 H3 LEU 532 1.550 -1.443 1.102
4 HA LEU 532 HA LEU 532 3.050 0.122 -0.014
5 HB2 LEU 532 2HB LEU 532 4.795 -1.714 -0.325
6 HB3 LEU 532 HB3 LEU 532 3.910 -2.304 -1.697
7 HG LEU 532 HG LEU 532 4.145 0.421 -2.353
8 HD11 LEU 532 1HD1 LEU 532 6.703 -0.349 -0.874
9 HD12 LEU 532 2HD1 LEU 532 5.545 0.907 -0.375
10 HD13 LEU 532 3HD1 LEU 532 6.471 1.075 -1.870
11 HD21 LEU 532 3HD2 LEU 532 5.956 -0.265 -3.869
12 HD22 LEU 532 1HD2 LEU 532 4.636 -1.423 -3.897
13 HD23 LEU 532 2HD2 LEU 532 6.132 -1.807 -3.008
14 H VAL 533 H VAL 533 2.496 -1.799 -2.861
15 HA VAL 533 HA VAL 533 -0.191 -0.767 -3.440
16 HB VAL 533 HB VAL 533 2.212 -0.184 -5.243
17 HG11 VAL 533 1HG1 VAL 533 0.520 1.026 -6.707
18 HG12 VAL 533 2HG1 VAL 533 0.324 -0.715 -6.682
19 HG13 VAL 533 3HG1 VAL 533 -0.775 0.310 -5.734
20 HG21 VAL 533 3HG2 VAL 533 2.121 1.524 -3.452
21 HG22 VAL 533 1HG2 VAL 533 1.523 2.254 -4.933
22 HG23 VAL 533 2HG2 VAL 533 0.384 1.746 -3.703
23 H ARG 534 H ARG 534 -1.193 -1.953 -5.023
24 HA ARG 534 HA ARG 534 -0.557 -4.749 -4.723
25 HB2 ARG 534 2HB ARG 534 -2.807 -3.315 -6.246
26 HB3 ARG 534 HB3 ARG 534 -2.640 -5.057 -6.196
27 HG2 ARG 534 2HG ARG 534 -4.220 -4.562 -4.546
28 HG3 ARG 534 HG3 ARG 534 -2.762 -5.016 -3.685
29 HD2 ARG 534 2HD ARG 534 -2.282 -2.673 -3.105
30 HD3 ARG 534 HD3 ARG 534 -3.538 -2.079 -4.183
31 HE ARG 534 HE ARG 534 -3.823 -3.204 -1.487
32 HH11 ARG 534 1HH1 ARG 534 -5.665 -2.471 -4.421
33 HH12 ARG 534 2HH1 ARG 534 -7.172 -2.413 -3.563
34 HH21 ARG 534 1HH2 ARG 534 -5.795 -3.122 -0.447
35 HH22 ARG 534 2HH2 ARG 534 -7.241 -2.792 -1.346
36 H VAL 535 H VAL 535 -0.984 -2.875 -7.707
37 HA VAL 535 HA VAL 535 0.091 -5.085 -9.325
38 HB VAL 535 HB VAL 535 -0.704 -3.836 -11.272
39 HG11 VAL 535 1HG1 VAL 535 -3.107 -3.956 -10.822
40 HG12 VAL 535 2HG1 VAL 535 -2.293 -5.303 -10.026
41 HG13 VAL 535 3HG1 VAL 535 -2.831 -3.897 -9.081
42 HG21 VAL 535 3HG2 VAL 535 -0.268 -1.481 -10.491
43 HG22 VAL 535 1HG2 VAL 535 -1.916 -1.695 -11.079
44 HG23 VAL 535 2HG2 VAL 535 -1.603 -1.623 -9.336
45 H ALA 536 H ALA 536 1.632 -2.485 -7.859
46 HA ALA 536 HA ALA 536 3.869 -2.443 -9.810
47 HB1 ALA 536 3HB ALA 536 3.801 0.071 -9.711
48 HB2 ALA 536 1HB ALA 536 2.322 -0.579 -10.408
49 HB3 ALA 536 2HB ALA 536 2.333 -0.008 -8.732
50 H ARG 537 H ARG 537 5.800 -2.330 -8.835
51 HA ARG 537 HA ARG 537 6.131 -1.191 -6.187
52 HB2 ARG 537 2HB ARG 537 7.572 -3.185 -5.457
53 HB3 ARG 537 HB3 ARG 537 5.830 -3.244 -5.189
54 HG2 ARG 537 2HG ARG 537 6.885 -4.487 -7.735
55 HG3 ARG 537 HG3 ARG 537 7.191 -5.313 -6.223
56 HD2 ARG 537 2HD ARG 537 4.846 -5.593 -5.746
57 HD3 ARG 537 HD3 ARG 537 4.354 -4.493 -7.033
58 HE ARG 537 HE ARG 537 5.928 -6.403 -8.263
59 HH11 ARG 537 1HH1 ARG 537 2.746 -6.372 -6.709
60 HH12 ARG 537 2HH1 ARG 537 2.242 -7.813 -7.533
61 HH21 ARG 537 1HH2 ARG 537 5.181 -8.241 -9.319
62 HH22 ARG 537 2HH2 ARG 537 3.567 -8.815 -9.016
63 H LYS 538 H LYS 538 7.980 -3.309 -8.378
64 HA LYS 538 HA LYS 538 10.401 -1.889 -7.882
65 HB2 LYS 538 2HB LYS 538 9.724 -4.159 -9.786
66 HB3 LYS 538 HB3 LYS 538 11.349 -3.507 -9.600
67 HG2 LYS 538 2HG LYS 538 11.276 -4.002 -7.141
68 HG3 LYS 538 HG3 LYS 538 9.682 -4.729 -7.335
69 HD2 LYS 538 2HD LYS 538 10.627 -6.420 -8.888
70 HD3 LYS 538 HD3 LYS 538 12.223 -5.692 -8.784
71 HE2 LYS 538 2HE LYS 538 10.711 -6.865 -6.359
72 HE3 LYS 538 HE3 LYS 538 11.893 -7.775 -7.313
73 HZ1 LYS 538 3HZ LYS 538 12.513 -5.287 -5.799
74 HZ2 LYS 538 1HZ LYS 538 13.590 -6.118 -6.717
75 HZ3 LYS 538 2HZ LYS 538 12.951 -6.799 -5.374
76 H LEU 539 H LEU 539 11.450 -0.375 -8.890
77 HA LEU 539 HA LEU 539 11.798 1.493 -10.131
78 HB2 LEU 539 2HB LEU 539 10.764 -0.109 -12.529
79 HB3 LEU 539 HB3 LEU 539 11.772 1.324 -12.591
80 HG LEU 539 HG LEU 539 12.643 -1.379 -11.415
81 HD11 LEU 539 1HD1 LEU 539 12.351 -1.453 -13.882
82 HD12 LEU 539 2HD1 LEU 539 14.058 -1.555 -13.435
83 HD13 LEU 539 3HD1 LEU 539 13.400 -0.030 -14.057
84 HD21 LEU 539 3HD2 LEU 539 14.937 -0.369 -11.416
85 HD22 LEU 539 1HD2 LEU 539 13.862 0.496 -10.326
86 HD23 LEU 539 2HD2 LEU 539 14.257 1.188 -11.906
87 H ASP 540 H ASP 540 9.407 1.251 -8.725
88 HA ASP 540 HA ASP 540 7.450 2.875 -10.313
89 HB2 ASP 540 2HB ASP 540 7.208 0.050 -9.296
90 HB3 ASP 540 HB3 ASP 540 5.815 1.032 -8.975
91 H ARG 541 H ARG 541 7.554 1.315 -7.062
92 HA ARG 541 HA ARG 541 6.467 3.876 -5.923
93 HB2 ARG 541 2HB ARG 541 5.389 1.023 -5.752
94 HB3 ARG 541 HB3 ARG 541 4.924 2.250 -4.603
95 HG2 ARG 541 2HG ARG 541 4.453 2.392 -7.626
96 HG3 ARG 541 HG3 ARG 541 3.264 1.983 -6.426
97 HD2 ARG 541 2HD ARG 541 3.682 4.331 -5.385
98 HD3 ARG 541 HD3 ARG 541 4.658 4.679 -6.812
99 HE ARG 541 HE ARG 541 2.038 3.696 -7.517
100 HH11 ARG 541 1HH1 ARG 541 3.828 6.662 -6.649
101 HH12 ARG 541 2HH1 ARG 541 2.578 7.685 -7.309
102 HH21 ARG 541 1HH2 ARG 541 0.517 5.098 -8.392
103 HH22 ARG 541 2HH2 ARG 541 0.761 6.813 -8.290
104 H TYR 542 H TYR 542 7.737 0.658 -4.914
105 HA TYR 542 HA TYR 542 8.668 1.646 -2.392
106 HB2 TYR 542 2HB TYR 542 9.272 -0.460 -2.028
107 HB3 TYR 542 HB3 TYR 542 8.299 -0.803 -3.430
108 HD1 TYR 542 HD2 TYR 542 10.157 -0.059 -5.675
109 HD2 TYR 542 HD1 TYR 542 10.846 -2.196 -1.986
110 HE1 TYR 542 HE2 TYR 542 12.002 -1.252 -6.719
111 HE2 TYR 542 HE1 TYR 542 12.726 -3.409 -3.044
112 HH TYR 542 HH TYR 542 13.703 -2.817 -6.453
113 H SER 543 H SER 543 9.871 2.117 -5.512
114 HA SER 543 HA SER 543 12.527 2.999 -5.167
115 HB2 SER 543 2HB SER 543 10.160 3.780 -6.981
116 HB3 SER 543 HB3 SER 543 11.757 4.462 -7.183
117 HG SER 543 HG SER 543 12.537 2.320 -7.592
118 H GLU 544 H GLU 544 9.447 4.920 -5.125
119 HA GLU 544 HA GLU 544 10.940 7.361 -4.524
120 HB2 GLU 544 2HB GLU 544 8.736 8.434 -4.331
121 HB3 GLU 544 HB3 GLU 544 9.041 7.670 -5.903
122 HG2 GLU 544 2HG GLU 544 7.580 5.807 -5.348
123 HG3 GLU 544 HG3 GLU 544 7.351 6.383 -3.703
124 H TYR 545 H TYR 545 8.806 5.160 -2.715
125 HA TYR 545 HA TYR 545 8.934 6.725 -0.272
126 HB2 TYR 545 2HB TYR 545 8.331 3.738 -0.610
127 HB3 TYR 545 HB3 TYR 545 7.943 4.716 0.793
128 HD1 TYR 545 HD1 TYR 545 6.530 7.036 0.069
129 HD2 TYR 545 HD2 TYR 545 6.547 3.249 -1.988
130 HE1 TYR 545 HE1 TYR 545 4.443 7.663 -1.118
131 HE2 TYR 545 HE2 TYR 545 4.516 3.873 -3.202
132 HH TYR 545 HH TYR 545 2.843 7.026 -2.661
133 H GLY 546 H GLY 546 10.688 3.823 -1.444
134 HA2 GLY 546 2HA GLY 546 12.322 3.390 0.751
135 HA3 GLY 546 HA3 GLY 546 12.782 3.000 -0.913
136 H ALA 547 H ALA 547 12.864 5.642 -1.905
137 HA ALA 547 HA ALA 547 15.506 6.393 -1.001
138 HB1 ALA 547 3HB ALA 547 15.359 7.986 -2.951
139 HB2 ALA 547 1HB ALA 547 14.833 6.367 -3.427
140 HB3 ALA 547 2HB ALA 547 13.636 7.634 -3.119
141 H ALA 548 H ALA 548 12.304 7.463 -0.230
142 HA ALA 548 HA ALA 548 13.244 9.980 1.028
143 HB1 ALA 548 3HB ALA 548 10.811 10.372 1.339
144 HB2 ALA 548 1HB ALA 548 11.147 9.983 -0.352
145 HB3 ALA 548 2HB ALA 548 10.446 8.754 0.714
146 H VAL 549 H VAL 549 12.575 6.729 1.872
147 HA VAL 549 HA VAL 549 12.254 7.443 4.749
148 HB VAL 549 HB VAL 549 11.353 4.970 3.184
149 HG11 VAL 549 1HG1 VAL 549 11.048 5.553 6.180
150 HG12 VAL 549 2HG1 VAL 549 10.208 4.255 5.309
151 HG13 VAL 549 3HG1 VAL 549 11.963 4.214 5.461
152 HG21 VAL 549 3HG2 VAL 549 9.925 7.050 2.884
153 HG22 VAL 549 1HG2 VAL 549 9.057 5.764 3.717
154 HG23 VAL 549 2HG2 VAL 549 9.713 7.130 4.631
155 H LEU 550 H LEU 550 14.119 5.405 2.531
156 HA LEU 550 HA LEU 550 15.610 4.213 4.793
157 HB2 LEU 550 2HB LEU 550 15.951 3.454 1.869
158 HB3 LEU 550 HB3 LEU 550 16.303 2.493 3.285
159 HG LEU 550 HG LEU 550 13.494 3.294 2.414
160 HD11 LEU 550 1HD1 LEU 550 14.926 0.653 1.866
161 HD12 LEU 550 2HD1 LEU 550 14.614 1.922 0.670
162 HD13 LEU 550 3HD1 LEU 550 13.255 1.072 1.418
163 HD21 LEU 550 3HD2 LEU 550 13.651 2.699 4.796
164 HD22 LEU 550 1HD2 LEU 550 14.377 1.147 4.361
165 HD23 LEU 550 2HD2 LEU 550 12.707 1.525 3.874
166 H PHE 551 H PHE 551 16.083 5.852 1.699
167 HA PHE 551 HA PHE 551 18.981 6.021 2.022
168 HB2 PHE 551 2HB PHE 551 17.759 5.817 -0.171
169 HB3 PHE 551 HB3 PHE 551 17.257 7.496 0.007
170 HD1 PHE 551 HD2 PHE 551 20.213 5.252 -0.393
171 HD2 PHE 551 HD1 PHE 551 18.751 9.313 -0.532
172 HE1 PHE 551 HE2 PHE 551 22.322 5.972 -1.458
173 HE2 PHE 551 HE1 PHE 551 20.867 10.025 -1.603
174 HZ PHE 551 HZ PHE 551 22.660 8.371 -2.077
Start of MODEL 12
1 H1 LEU 532 H1 LEU 532 0.954 -0.796 -0.051
2 H2 LEU 532 H2 LEU 532 2.080 0.283 0.383
3 H3 LEU 532 H3 LEU 532 2.501 -1.231 -0.077
4 HA LEU 532 HA LEU 532 1.198 0.800 -1.839
5 HB2 LEU 532 2HB LEU 532 3.330 1.164 -2.985
6 HB3 LEU 532 HB3 LEU 532 3.430 1.504 -1.292
7 HG LEU 532 HG LEU 532 4.504 -0.872 -1.007
8 HD11 LEU 532 1HD1 LEU 532 4.098 -1.902 -3.145
9 HD12 LEU 532 2HD1 LEU 532 5.828 -1.552 -3.084
10 HD13 LEU 532 3HD1 LEU 532 4.752 -0.509 -4.028
11 HD21 LEU 532 3HD2 LEU 532 5.722 1.293 -0.774
12 HD22 LEU 532 1HD2 LEU 532 6.007 1.294 -2.518
13 HD23 LEU 532 2HD2 LEU 532 6.726 0.037 -1.501
14 H VAL 533 H VAL 533 2.011 0.099 -4.309
15 HA VAL 533 HA VAL 533 -0.016 -1.698 -4.998
16 HB VAL 533 HB VAL 533 2.379 -0.918 -6.724
17 HG11 VAL 533 1HG1 VAL 533 -0.336 -2.095 -7.494
18 HG12 VAL 533 2HG1 VAL 533 0.748 -1.296 -8.654
19 HG13 VAL 533 3HG1 VAL 533 1.275 -2.766 -7.855
20 HG21 VAL 533 3HG2 VAL 533 -0.410 0.368 -6.540
21 HG22 VAL 533 1HG2 VAL 533 1.052 1.083 -5.852
22 HG23 VAL 533 2HG2 VAL 533 0.910 0.893 -7.598
23 H ARG 534 H ARG 534 -0.129 -3.704 -5.808
24 HA ARG 534 HA ARG 534 1.734 -5.628 -4.554
25 HB2 ARG 534 2HB ARG 534 -0.947 -6.178 -5.955
26 HB3 ARG 534 HB3 ARG 534 0.012 -7.313 -5.031
27 HG2 ARG 534 2HG ARG 534 -1.447 -6.728 -3.386
28 HG3 ARG 534 HG3 ARG 534 -0.230 -5.506 -3.062
29 HD2 ARG 534 2HD ARG 534 -1.626 -3.840 -4.407
30 HD3 ARG 534 HD3 ARG 534 -2.782 -5.127 -4.739
31 HE ARG 534 HE ARG 534 -2.278 -4.790 -1.895
32 HH11 ARG 534 1HH1 ARG 534 -4.242 -3.453 -4.533
33 HH12 ARG 534 2HH1 ARG 534 -5.455 -2.863 -3.442
34 HH21 ARG 534 1HH2 ARG 534 -3.894 -4.029 -0.560
35 HH22 ARG 534 2HH2 ARG 534 -5.256 -3.179 -1.232
36 H VAL 535 H VAL 535 0.305 -5.182 -7.776
37 HA VAL 535 HA VAL 535 1.791 -7.286 -9.005
38 HB VAL 535 HB VAL 535 0.962 -6.442 -11.179
39 HG11 VAL 535 1HG1 VAL 535 -0.475 -7.905 -9.765
40 HG12 VAL 535 2HG1 VAL 535 -1.214 -6.476 -9.029
41 HG13 VAL 535 3HG1 VAL 535 -1.428 -6.796 -10.758
42 HG21 VAL 535 3HG2 VAL 535 -0.534 -4.476 -11.316
43 HG22 VAL 535 1HG2 VAL 535 -0.274 -4.096 -9.616
44 HG23 VAL 535 2HG2 VAL 535 1.062 -3.964 -10.770
45 H ALA 536 H ALA 536 2.770 -3.995 -8.396
46 HA ALA 536 HA ALA 536 5.352 -4.467 -9.736
47 HB1 ALA 536 3HB ALA 536 5.105 -2.336 -11.036
48 HB2 ALA 536 1HB ALA 536 3.876 -3.503 -11.520
49 HB3 ALA 536 2HB ALA 536 3.443 -2.161 -10.451
50 H ARG 537 H ARG 537 6.784 -3.984 -8.335
51 HA ARG 537 HA ARG 537 6.455 -1.664 -6.449
52 HB2 ARG 537 2HB ARG 537 8.000 -4.290 -5.964
53 HB3 ARG 537 HB3 ARG 537 7.989 -2.885 -4.924
54 HG2 ARG 537 2HG ARG 537 6.366 -4.077 -3.846
55 HG3 ARG 537 HG3 ARG 537 5.348 -3.196 -4.969
56 HD2 ARG 537 2HD ARG 537 4.639 -5.526 -4.860
57 HD3 ARG 537 HD3 ARG 537 5.261 -5.209 -6.469
58 HE ARG 537 HE ARG 537 7.354 -6.210 -4.739
59 HH11 ARG 537 1HH1 ARG 537 4.463 -7.430 -6.395
60 HH12 ARG 537 2HH1 ARG 537 5.142 -9.023 -6.582
61 HH21 ARG 537 1HH2 ARG 537 8.158 -8.282 -5.019
62 HH22 ARG 537 2HH2 ARG 537 7.192 -9.498 -5.787
63 H LYS 538 H LYS 538 8.871 -3.747 -8.062
64 HA LYS 538 HA LYS 538 11.070 -2.033 -7.845
65 HB2 LYS 538 2HB LYS 538 12.159 -3.440 -9.534
66 HB3 LYS 538 HB3 LYS 538 11.375 -4.356 -8.262
67 HG2 LYS 538 2HG LYS 538 9.441 -4.868 -9.799
68 HG3 LYS 538 HG3 LYS 538 10.200 -3.909 -11.067
69 HD2 LYS 538 2HD LYS 538 10.632 -6.197 -11.539
70 HD3 LYS 538 HD3 LYS 538 12.166 -5.455 -11.080
71 HE2 LYS 538 2HE LYS 538 12.017 -6.505 -8.799
72 HE3 LYS 538 HE3 LYS 538 10.398 -7.140 -9.177
73 HZ1 LYS 538 3HZ LYS 538 11.422 -8.483 -10.940
74 HZ2 LYS 538 1HZ LYS 538 12.131 -8.819 -9.506
75 HZ3 LYS 538 2HZ LYS 538 12.910 -7.890 -10.594
76 H LEU 539 H LEU 539 11.707 -0.260 -8.747
77 HA LEU 539 HA LEU 539 11.843 1.633 -9.980
78 HB2 LEU 539 2HB LEU 539 10.872 -0.003 -12.365
79 HB3 LEU 539 HB3 LEU 539 11.757 1.501 -12.416
80 HG LEU 539 HG LEU 539 12.893 -1.143 -11.353
81 HD11 LEU 539 1HD1 LEU 539 12.505 -1.174 -13.818
82 HD12 LEU 539 2HD1 LEU 539 14.229 -1.161 -13.425
83 HD13 LEU 539 3HD1 LEU 539 13.434 0.328 -13.976
84 HD21 LEU 539 3HD2 LEU 539 14.257 1.562 -11.807
85 HD22 LEU 539 1HD2 LEU 539 15.080 0.044 -11.420
86 HD23 LEU 539 2HD2 LEU 539 13.997 0.777 -10.239
87 H ASP 540 H ASP 540 9.260 0.900 -8.667
88 HA ASP 540 HA ASP 540 7.339 2.555 -10.257
89 HB2 ASP 540 2HB ASP 540 7.147 -0.232 -9.139
90 HB3 ASP 540 HB3 ASP 540 5.739 0.732 -8.851
91 H ARG 541 H ARG 541 7.457 1.162 -6.949
92 HA ARG 541 HA ARG 541 6.419 3.789 -5.893
93 HB2 ARG 541 2HB ARG 541 5.336 0.963 -5.582
94 HB3 ARG 541 HB3 ARG 541 4.898 2.245 -4.477
95 HG2 ARG 541 2HG ARG 541 4.332 2.180 -7.478
96 HG3 ARG 541 HG3 ARG 541 3.185 1.949 -6.180
97 HD2 ARG 541 2HD ARG 541 3.719 4.368 -5.417
98 HD3 ARG 541 HD3 ARG 541 4.625 4.531 -6.921
99 HE ARG 541 HE ARG 541 1.960 3.556 -7.395
100 HH11 ARG 541 1HH1 ARG 541 3.782 6.577 -6.865
101 HH12 ARG 541 2HH1 ARG 541 2.561 7.527 -7.648
102 HH21 ARG 541 1HH2 ARG 541 0.425 4.879 -8.360
103 HH22 ARG 541 2HH2 ARG 541 0.695 6.591 -8.473
104 H TYR 542 H TYR 542 7.705 0.608 -4.763
105 HA TYR 542 HA TYR 542 8.654 1.634 -2.284
106 HB2 TYR 542 2HB TYR 542 9.424 -0.445 -1.976
107 HB3 TYR 542 HB3 TYR 542 8.503 -0.833 -3.395
108 HD1 TYR 542 HD2 TYR 542 10.167 0.058 -5.629
109 HD2 TYR 542 HD1 TYR 542 11.374 -1.750 -1.919
110 HE1 TYR 542 HE2 TYR 542 12.245 -0.652 -6.693
111 HE2 TYR 542 HE1 TYR 542 13.472 -2.539 -2.999
112 HH TYR 542 HH TYR 542 14.746 -2.582 -4.927
113 H SER 543 H SER 543 9.776 2.190 -5.406
114 HA SER 543 HA SER 543 12.453 3.128 -5.122
115 HB2 SER 543 2HB SER 543 10.058 3.699 -6.980
116 HB3 SER 543 HB3 SER 543 11.596 4.479 -7.205
117 HG SER 543 HG SER 543 12.556 2.432 -7.536
118 H GLU 544 H GLU 544 9.311 4.939 -5.116
119 HA GLU 544 HA GLU 544 10.739 7.444 -4.638
120 HB2 GLU 544 2HB GLU 544 8.528 8.467 -4.454
121 HB3 GLU 544 HB3 GLU 544 8.822 7.655 -6.005
122 HG2 GLU 544 2HG GLU 544 7.417 5.761 -5.350
123 HG3 GLU 544 HG3 GLU 544 7.189 6.401 -3.732
124 H TYR 545 H TYR 545 8.706 5.245 -2.728
125 HA TYR 545 HA TYR 545 8.867 6.913 -0.333
126 HB2 TYR 545 2HB TYR 545 8.256 3.927 -0.525
127 HB3 TYR 545 HB3 TYR 545 7.845 4.989 0.820
128 HD1 TYR 545 HD1 TYR 545 6.391 7.222 -0.062
129 HD2 TYR 545 HD2 TYR 545 6.538 3.340 -1.909
130 HE1 TYR 545 HE1 TYR 545 4.246 7.693 -1.236
131 HE2 TYR 545 HE2 TYR 545 4.439 3.810 -3.119
132 HH TYR 545 HH TYR 545 2.652 6.920 -2.700
133 H GLY 546 H GLY 546 10.529 3.922 -1.373
134 HA2 GLY 546 2HA GLY 546 12.055 3.603 0.932
135 HA3 GLY 546 HA3 GLY 546 12.489 2.934 -0.651
136 H ALA 547 H ALA 547 12.819 5.564 -1.908
137 HA ALA 547 HA ALA 547 15.537 6.066 -1.056
138 HB1 ALA 547 3HB ALA 547 15.582 7.616 -3.018
139 HB2 ALA 547 1HB ALA 547 14.849 6.073 -3.478
140 HB3 ALA 547 2HB ALA 547 13.819 7.487 -3.188
141 H ALA 548 H ALA 548 12.480 7.433 -0.236
142 HA ALA 548 HA ALA 548 13.683 9.843 1.028
143 HB1 ALA 548 3HB ALA 548 11.304 10.500 1.326
144 HB2 ALA 548 1HB ALA 548 11.586 10.080 -0.369
145 HB3 ALA 548 2HB ALA 548 10.762 8.943 0.709
146 H VAL 549 H VAL 549 12.803 6.659 1.841
147 HA VAL 549 HA VAL 549 12.483 7.369 4.727
148 HB VAL 549 HB VAL 549 11.325 5.081 3.059
149 HG11 VAL 549 1HG1 VAL 549 11.833 4.108 5.258
150 HG12 VAL 549 2HG1 VAL 549 11.095 5.482 6.091
151 HG13 VAL 549 3HG1 VAL 549 10.106 4.362 5.136
152 HG21 VAL 549 3HG2 VAL 549 9.133 6.098 3.659
153 HG22 VAL 549 1HG2 VAL 549 9.932 7.324 4.638
154 HG23 VAL 549 2HG2 VAL 549 10.134 7.327 2.899
155 H LEU 550 H LEU 550 14.168 5.203 2.501
156 HA LEU 550 HA LEU 550 15.573 3.861 4.726
157 HB2 LEU 550 2HB LEU 550 15.759 3.101 1.792
158 HB3 LEU 550 HB3 LEU 550 16.099 2.095 3.176
159 HG LEU 550 HG LEU 550 13.334 3.134 2.412
160 HD11 LEU 550 1HD1 LEU 550 12.860 0.954 1.444
161 HD12 LEU 550 2HD1 LEU 550 14.505 0.385 1.803
162 HD13 LEU 550 3HD1 LEU 550 14.255 1.686 0.622
163 HD21 LEU 550 3HD2 LEU 550 14.072 0.910 4.337
164 HD22 LEU 550 1HD2 LEU 550 12.432 1.440 3.901
165 HD23 LEU 550 2HD2 LEU 550 13.506 2.536 4.779
166 H PHE 551 H PHE 551 16.125 5.449 1.618
167 HA PHE 551 HA PHE 551 19.028 5.232 1.801
168 HB2 PHE 551 2HB PHE 551 17.619 5.249 -0.320
169 HB3 PHE 551 HB3 PHE 551 17.441 6.975 -0.104
170 HD1 PHE 551 HD2 PHE 551 19.913 4.246 -0.677
171 HD2 PHE 551 HD1 PHE 551 19.191 8.503 -0.757
172 HE1 PHE 551 HE2 PHE 551 22.039 4.593 -1.920
173 HE2 PHE 551 HE1 PHE 551 21.311 8.841 -2.004
174 HZ PHE 551 HZ PHE 551 22.732 6.882 -2.598
Start of MODEL 13
1 H1 LEU 532 H1 LEU 532 1.049 -0.087 -0.043
2 H2 LEU 532 H2 LEU 532 2.380 0.773 0.299
3 H3 LEU 532 H3 LEU 532 2.495 -0.787 -0.179
4 HA LEU 532 HA LEU 532 1.455 1.456 -1.851
5 HB2 LEU 532 2HB LEU 532 3.524 1.451 -3.125
6 HB3 LEU 532 HB3 LEU 532 3.861 1.671 -1.440
7 HG LEU 532 HG LEU 532 4.043 -1.176 -1.902
8 HD11 LEU 532 1HD1 LEU 532 5.610 0.378 -3.998
9 HD12 LEU 532 2HD1 LEU 532 4.271 -0.721 -4.350
10 HD13 LEU 532 3HD1 LEU 532 5.775 -1.329 -3.638
11 HD21 LEU 532 3HD2 LEU 532 6.420 -0.844 -1.280
12 HD22 LEU 532 1HD2 LEU 532 5.370 0.120 -0.237
13 HD23 LEU 532 2HD2 LEU 532 6.265 0.901 -1.554
14 H VAL 533 H VAL 533 2.018 0.640 -4.361
15 HA VAL 533 HA VAL 533 -0.242 -0.905 -4.998
16 HB VAL 533 HB VAL 533 2.189 -0.419 -6.768
17 HG11 VAL 533 1HG1 VAL 533 0.463 -0.596 -8.662
18 HG12 VAL 533 2HG1 VAL 533 0.818 -2.115 -7.847
19 HG13 VAL 533 3HG1 VAL 533 -0.673 -1.241 -7.466
20 HG21 VAL 533 3HG2 VAL 533 1.291 1.743 -5.959
21 HG22 VAL 533 1HG2 VAL 533 0.867 1.532 -7.665
22 HG23 VAL 533 2HG2 VAL 533 -0.350 1.256 -6.410
23 H ARG 534 H ARG 534 -0.573 -2.900 -5.793
24 HA ARG 534 HA ARG 534 1.076 -4.985 -4.503
25 HB2 ARG 534 2HB ARG 534 -1.665 -5.241 -5.861
26 HB3 ARG 534 HB3 ARG 534 -0.841 -6.447 -4.916
27 HG2 ARG 534 2HG ARG 534 -2.210 -5.634 -3.261
28 HG3 ARG 534 HG3 ARG 534 -0.828 -4.595 -2.985
29 HD2 ARG 534 2HD ARG 534 -2.857 -3.244 -2.933
30 HD3 ARG 534 HD3 ARG 534 -1.983 -2.791 -4.388
31 HE ARG 534 HE ARG 534 -3.850 -4.901 -4.965
32 HH11 ARG 534 1HH1 ARG 534 -3.903 -1.440 -4.249
33 HH12 ARG 534 2HH1 ARG 534 -5.375 -1.187 -5.137
34 HH21 ARG 534 1HH2 ARG 534 -5.726 -4.508 -6.118
35 HH22 ARG 534 2HH2 ARG 534 -6.412 -2.909 -6.141
36 H VAL 535 H VAL 535 -0.329 -4.457 -7.729
37 HA VAL 535 HA VAL 535 0.919 -6.747 -8.900
38 HB VAL 535 HB VAL 535 0.180 -5.870 -11.098
39 HG11 VAL 535 1HG1 VAL 535 -2.243 -5.933 -10.654
40 HG12 VAL 535 2HG1 VAL 535 -1.415 -7.121 -9.640
41 HG13 VAL 535 3HG1 VAL 535 -1.982 -5.593 -8.946
42 HG21 VAL 535 3HG2 VAL 535 0.559 -3.420 -10.768
43 HG22 VAL 535 1HG2 VAL 535 -1.085 -3.758 -11.294
44 HG23 VAL 535 2HG2 VAL 535 -0.766 -3.367 -9.599
45 H ALA 536 H ALA 536 2.247 -3.595 -8.331
46 HA ALA 536 HA ALA 536 4.775 -4.388 -9.594
47 HB1 ALA 536 3HB ALA 536 4.845 -2.280 -10.960
48 HB2 ALA 536 1HB ALA 536 3.498 -3.299 -11.462
49 HB3 ALA 536 2HB ALA 536 3.193 -1.886 -10.438
50 H ARG 537 H ARG 537 6.270 -3.953 -8.237
51 HA ARG 537 HA ARG 537 6.094 -1.621 -6.344
52 HB2 ARG 537 2HB ARG 537 7.498 -4.334 -5.870
53 HB3 ARG 537 HB3 ARG 537 7.528 -2.943 -4.811
54 HG2 ARG 537 2HG ARG 537 5.889 -4.183 -3.775
55 HG3 ARG 537 HG3 ARG 537 4.907 -3.125 -4.786
56 HD2 ARG 537 2HD ARG 537 4.055 -5.411 -4.783
57 HD3 ARG 537 HD3 ARG 537 4.539 -4.965 -6.411
58 HE ARG 537 HE ARG 537 6.704 -6.279 -5.026
59 HH11 ARG 537 1HH1 ARG 537 3.597 -7.108 -6.541
60 HH12 ARG 537 2HH1 ARG 537 4.159 -8.682 -7.017
61 HH21 ARG 537 1HH2 ARG 537 7.341 -8.326 -5.670
62 HH22 ARG 537 2HH2 ARG 537 6.232 -9.369 -6.510
63 H LYS 538 H LYS 538 8.303 -3.868 -7.945
64 HA LYS 538 HA LYS 538 10.714 -2.490 -7.783
65 HB2 LYS 538 2HB LYS 538 10.402 -4.873 -8.372
66 HB3 LYS 538 HB3 LYS 538 9.694 -4.427 -9.923
67 HG2 LYS 538 2HG LYS 538 11.840 -3.425 -10.668
68 HG3 LYS 538 HG3 LYS 538 12.534 -3.661 -9.067
69 HD2 LYS 538 2HD LYS 538 13.391 -5.379 -10.511
70 HD3 LYS 538 HD3 LYS 538 12.318 -6.156 -9.354
71 HE2 LYS 538 2HE LYS 538 10.502 -6.253 -11.108
72 HE3 LYS 538 HE3 LYS 538 11.552 -5.400 -12.250
73 HZ1 LYS 538 3HZ LYS 538 12.148 -8.065 -11.045
74 HZ2 LYS 538 1HZ LYS 538 13.114 -7.282 -12.122
75 HZ3 LYS 538 2HZ LYS 538 11.639 -7.822 -12.576
76 H LEU 539 H LEU 539 11.491 -0.717 -8.686
77 HA LEU 539 HA LEU 539 11.696 1.219 -9.846
78 HB2 LEU 539 2HB LEU 539 10.844 -0.512 -12.226
79 HB3 LEU 539 HB3 LEU 539 11.612 1.051 -12.346
80 HG LEU 539 HG LEU 539 12.919 -1.369 -11.002
81 HD11 LEU 539 1HD1 LEU 539 13.307 -0.289 -13.842
82 HD12 LEU 539 2HD1 LEU 539 12.517 -1.813 -13.414
83 HD13 LEU 539 3HD1 LEU 539 14.237 -1.590 -13.089
84 HD21 LEU 539 3HD2 LEU 539 14.062 1.339 -11.887
85 HD22 LEU 539 1HD2 LEU 539 15.020 -0.030 -11.314
86 HD23 LEU 539 2HD2 LEU 539 13.897 0.770 -10.213
87 H ASP 540 H ASP 540 9.302 0.979 -8.431
88 HA ASP 540 HA ASP 540 7.379 2.482 -10.117
89 HB2 ASP 540 2HB ASP 540 7.081 -0.262 -9.467
90 HB3 ASP 540 HB3 ASP 540 6.052 0.482 -8.298
91 H ARG 541 H ARG 541 6.840 1.316 -6.833
92 HA ARG 541 HA ARG 541 6.443 4.171 -5.964
93 HB2 ARG 541 2HB ARG 541 4.794 1.675 -5.643
94 HB3 ARG 541 HB3 ARG 541 4.949 2.710 -4.246
95 HG2 ARG 541 2HG ARG 541 2.988 3.433 -5.339
96 HG3 ARG 541 HG3 ARG 541 4.176 4.683 -5.674
97 HD2 ARG 541 2HD ARG 541 4.546 3.760 -7.961
98 HD3 ARG 541 HD3 ARG 541 3.470 2.400 -7.602
99 HE ARG 541 HE ARG 541 2.123 4.899 -7.148
100 HH11 ARG 541 1HH1 ARG 541 3.116 2.804 -9.843
101 HH12 ARG 541 2HH1 ARG 541 1.827 3.385 -10.856
102 HH21 ARG 541 1HH2 ARG 541 0.508 5.603 -8.538
103 HH22 ARG 541 2HH2 ARG 541 0.392 4.947 -10.138
104 H TYR 542 H TYR 542 7.487 0.926 -4.794
105 HA TYR 542 HA TYR 542 8.519 1.849 -2.306
106 HB2 TYR 542 2HB TYR 542 9.061 -0.299 -2.001
107 HB3 TYR 542 HB3 TYR 542 8.169 -0.604 -3.461
108 HD1 TYR 542 HD2 TYR 542 9.927 0.089 -5.649
109 HD2 TYR 542 HD1 TYR 542 10.930 -1.697 -1.866
110 HE1 TYR 542 HE2 TYR 542 11.891 -0.922 -6.686
111 HE2 TYR 542 HE1 TYR 542 12.936 -2.745 -2.908
112 HH TYR 542 HH TYR 542 13.769 -2.252 -6.365
113 H SER 543 H SER 543 9.719 2.271 -5.472
114 HA SER 543 HA SER 543 12.391 3.097 -5.205
115 HB2 SER 543 2HB SER 543 9.975 4.013 -6.891
116 HB3 SER 543 HB3 SER 543 11.573 4.673 -7.119
117 HG SER 543 HG SER 543 11.349 2.965 -8.514
118 H GLU 544 H GLU 544 9.376 5.093 -4.911
119 HA GLU 544 HA GLU 544 11.008 7.469 -4.325
120 HB2 GLU 544 2HB GLU 544 8.861 8.634 -4.049
121 HB3 GLU 544 HB3 GLU 544 9.142 7.960 -5.659
122 HG2 GLU 544 2HG GLU 544 7.593 6.110 -5.187
123 HG3 GLU 544 HG3 GLU 544 7.380 6.642 -3.524
124 H TYR 545 H TYR 545 8.773 5.335 -2.553
125 HA TYR 545 HA TYR 545 9.010 6.780 -0.054
126 HB2 TYR 545 2HB TYR 545 8.308 3.833 -0.548
127 HB3 TYR 545 HB3 TYR 545 8.032 4.717 0.953
128 HD1 TYR 545 HD1 TYR 545 6.631 7.031 0.625
129 HD2 TYR 545 HD2 TYR 545 6.471 3.604 -1.987
130 HE1 TYR 545 HE1 TYR 545 4.470 7.838 -0.305
131 HE2 TYR 545 HE2 TYR 545 4.376 4.429 -2.968
132 HH TYR 545 HH TYR 545 2.772 7.442 -1.829
133 H GLY 546 H GLY 546 10.669 3.901 -1.357
134 HA2 GLY 546 2HA GLY 546 12.319 3.336 0.822
135 HA3 GLY 546 HA3 GLY 546 12.722 2.949 -0.852
136 H ALA 547 H ALA 547 12.932 5.580 -1.845
137 HA ALA 547 HA ALA 547 15.633 6.161 -1.000
138 HB1 ALA 547 3HB ALA 547 15.572 7.769 -2.928
139 HB2 ALA 547 1HB ALA 547 14.923 6.191 -3.415
140 HB3 ALA 547 2HB ALA 547 13.821 7.532 -3.067
141 H ALA 548 H ALA 548 12.509 7.405 -0.146
142 HA ALA 548 HA ALA 548 13.635 9.854 1.107
143 HB1 ALA 548 3HB ALA 548 11.498 9.987 -0.224
144 HB2 ALA 548 1HB ALA 548 10.755 8.809 0.875
145 HB3 ALA 548 2HB ALA 548 11.244 10.401 1.476
146 H VAL 549 H VAL 549 12.831 6.642 1.947
147 HA VAL 549 HA VAL 549 12.631 7.362 4.841
148 HB VAL 549 HB VAL 549 11.524 4.982 3.291
149 HG11 VAL 549 1HG1 VAL 549 12.115 4.131 5.535
150 HG12 VAL 549 2HG1 VAL 549 11.326 5.509 6.315
151 HG13 VAL 549 3HG1 VAL 549 10.369 4.317 5.420
152 HG21 VAL 549 3HG2 VAL 549 10.226 7.164 3.041
153 HG22 VAL 549 1HG2 VAL 549 9.300 5.927 3.881
154 HG23 VAL 549 2HG2 VAL 549 10.061 7.238 4.799
155 H LEU 550 H LEU 550 14.291 5.222 2.560
156 HA LEU 550 HA LEU 550 15.759 3.901 4.753
157 HB2 LEU 550 2HB LEU 550 15.948 3.173 1.811
158 HB3 LEU 550 HB3 LEU 550 16.300 2.161 3.191
159 HG LEU 550 HG LEU 550 13.511 3.158 2.440
160 HD11 LEU 550 1HD1 LEU 550 14.761 0.439 1.796
161 HD12 LEU 550 2HD1 LEU 550 14.456 1.754 0.640
162 HD13 LEU 550 3HD1 LEU 550 13.106 0.963 1.436
163 HD21 LEU 550 3HD2 LEU 550 12.648 1.446 3.922
164 HD22 LEU 550 1HD2 LEU 550 13.738 2.521 4.816
165 HD23 LEU 550 2HD2 LEU 550 14.303 0.914 4.330
166 H PHE 551 H PHE 551 16.253 5.554 1.662
167 HA PHE 551 HA PHE 551 19.162 5.456 1.855
168 HB2 PHE 551 2HB PHE 551 17.812 5.432 -0.281
169 HB3 PHE 551 HB3 PHE 551 17.505 7.140 -0.036
170 HD1 PHE 551 HD2 PHE 551 20.197 4.610 -0.593
171 HD2 PHE 551 HD1 PHE 551 19.138 8.794 -0.678
172 HE1 PHE 551 HE2 PHE 551 22.328 5.136 -1.775
173 HE2 PHE 551 HE1 PHE 551 21.273 9.306 -1.853
174 HZ PHE 551 HZ PHE 551 22.867 7.489 -2.385
Start of MODEL 14
1 H1 LEU 532 H1 LEU 532 1.790 -1.790 0.298
2 H2 LEU 532 H2 LEU 532 1.272 -0.268 0.363
3 H3 LEU 532 H3 LEU 532 2.806 -0.614 0.791
4 HA LEU 532 HA LEU 532 2.776 0.433 -1.433
5 HB2 LEU 532 2HB LEU 532 4.037 -2.042 -0.681
6 HB3 LEU 532 HB3 LEU 532 3.479 -2.331 -2.299
7 HG LEU 532 HG LEU 532 5.788 -1.584 -2.302
8 HD11 LEU 532 1HD1 LEU 532 4.325 -0.863 -4.213
9 HD12 LEU 532 2HD1 LEU 532 5.727 0.165 -3.948
10 HD13 LEU 532 3HD1 LEU 532 4.137 0.714 -3.416
11 HD21 LEU 532 3HD2 LEU 532 6.536 0.603 -1.499
12 HD22 LEU 532 1HD2 LEU 532 5.774 -0.281 -0.171
13 HD23 LEU 532 2HD2 LEU 532 4.913 1.044 -0.981
14 H VAL 533 H VAL 533 2.476 -0.186 -3.860
15 HA VAL 533 HA VAL 533 -0.361 -0.459 -4.419
16 HB VAL 533 HB VAL 533 2.091 -0.206 -6.216
17 HG11 VAL 533 1HG1 VAL 533 0.467 -1.326 -7.625
18 HG12 VAL 533 2HG1 VAL 533 -0.845 -0.277 -7.059
19 HG13 VAL 533 3HG1 VAL 533 0.465 0.367 -8.080
20 HG21 VAL 533 3HG2 VAL 533 1.556 1.818 -4.876
21 HG22 VAL 533 1HG2 VAL 533 1.230 2.107 -6.589
22 HG23 VAL 533 2HG2 VAL 533 -0.105 1.793 -5.476
23 H ARG 534 H ARG 534 -1.291 -1.978 -5.774
24 HA ARG 534 HA ARG 534 -0.773 -4.650 -4.746
25 HB2 ARG 534 2HB ARG 534 -3.015 -3.482 -6.482
26 HB3 ARG 534 HB3 ARG 534 -2.931 -5.171 -6.032
27 HG2 ARG 534 2HG ARG 534 -4.418 -4.180 -4.499
28 HG3 ARG 534 HG3 ARG 534 -2.972 -4.560 -3.594
29 HD2 ARG 534 2HD ARG 534 -2.290 -2.205 -3.539
30 HD3 ARG 534 HD3 ARG 534 -3.524 -1.750 -4.707
31 HE ARG 534 HE ARG 534 -3.803 -2.245 -1.833
32 HH11 ARG 534 1HH2 ARG 534 -5.705 -2.038 -4.820
33 HH12 ARG 534 2HH2 ARG 534 -7.172 -1.686 -3.966
34 HH21 ARG 534 1HH1 ARG 534 -5.732 -1.814 -0.798
35 HH22 ARG 534 2HH1 ARG 534 -7.189 -1.573 -1.710
36 H VAL 535 H VAL 535 -0.868 -3.229 -7.972
37 HA VAL 535 HA VAL 535 -0.224 -5.756 -9.304
38 HB VAL 535 HB VAL 535 -0.407 -4.482 -11.414
39 HG11 VAL 535 1HG1 VAL 535 -2.435 -5.463 -10.344
40 HG12 VAL 535 2HG1 VAL 535 -2.741 -3.918 -9.512
41 HG13 VAL 535 3HG1 VAL 535 -2.808 -4.012 -11.274
42 HG21 VAL 535 3HG2 VAL 535 -1.120 -2.120 -11.443
43 HG22 VAL 535 1HG2 VAL 535 -0.972 -2.017 -9.691
44 HG23 VAL 535 2HG2 VAL 535 0.468 -2.260 -10.693
45 H ALA 536 H ALA 536 1.732 -3.177 -8.047
46 HA ALA 536 HA ALA 536 4.152 -4.258 -9.280
47 HB1 ALA 536 3HB ALA 536 3.126 -1.418 -9.848
48 HB2 ALA 536 1HB ALA 536 4.720 -2.041 -10.318
49 HB3 ALA 536 2HB ALA 536 3.257 -2.708 -11.042
50 H ARG 537 H ARG 537 6.002 -3.555 -8.320
51 HA ARG 537 HA ARG 537 5.950 -1.528 -6.170
52 HB2 ARG 537 2HB ARG 537 7.283 -4.288 -5.765
53 HB3 ARG 537 HB3 ARG 537 7.430 -2.895 -4.728
54 HG2 ARG 537 2HG ARG 537 5.813 -4.001 -3.544
55 HG3 ARG 537 HG3 ARG 537 4.763 -3.060 -4.580
56 HD2 ARG 537 2HD ARG 537 4.674 -5.098 -6.162
57 HD3 ARG 537 HD3 ARG 537 5.585 -5.989 -4.957
58 HE ARG 537 HE ARG 537 3.495 -4.993 -3.493
59 HH11 ARG 537 1HH1 ARG 537 3.538 -6.897 -6.465
60 HH12 ARG 537 2HH1 ARG 537 1.898 -7.437 -6.241
61 HH21 ARG 537 1HH2 ARG 537 1.445 -5.828 -3.200
62 HH22 ARG 537 2HH2 ARG 537 0.767 -6.904 -4.386
63 H LYS 538 H LYS 538 8.015 -3.867 -7.881
64 HA LYS 538 HA LYS 538 10.412 -2.484 -7.693
65 HB2 LYS 538 2HB LYS 538 11.312 -4.025 -9.323
66 HB3 LYS 538 HB3 LYS 538 10.316 -4.852 -8.128
67 HG2 LYS 538 2HG LYS 538 8.413 -4.921 -9.812
68 HG3 LYS 538 HG3 LYS 538 9.484 -4.191 -11.013
69 HD2 LYS 538 2HD LYS 538 11.086 -6.086 -10.778
70 HD3 LYS 538 HD3 LYS 538 10.012 -6.854 -9.607
71 HE2 LYS 538 2HE LYS 538 8.188 -6.986 -11.369
72 HE3 LYS 538 HE3 LYS 538 9.276 -6.218 -12.533
73 HZ1 LYS 538 3HZ LYS 538 10.795 -8.128 -12.266
74 HZ2 LYS 538 1HZ LYS 538 9.320 -8.642 -12.747
75 HZ3 LYS 538 2HZ LYS 538 9.771 -8.833 -11.191
76 H LEU 539 H LEU 539 11.347 -0.857 -8.653
77 HA LEU 539 HA LEU 539 11.601 1.072 -9.750
78 HB2 LEU 539 2HB LEU 539 12.192 -0.800 -11.502
79 HB3 LEU 539 HB3 LEU 539 10.670 -0.394 -12.260
80 HG LEU 539 HG LEU 539 11.537 2.033 -12.475
81 HD11 LEU 539 1HD1 LEU 539 14.037 2.312 -12.369
82 HD12 LEU 539 2HD1 LEU 539 14.185 0.707 -11.652
83 HD13 LEU 539 3HD1 LEU 539 13.355 2.000 -10.774
84 HD21 LEU 539 3HD2 LEU 539 13.113 -0.193 -13.879
85 HD22 LEU 539 1HD2 LEU 539 12.946 1.486 -14.440
86 HD23 LEU 539 2HD2 LEU 539 11.523 0.438 -14.378
87 H ASP 540 H ASP 540 9.207 0.924 -8.406
88 HA ASP 540 HA ASP 540 7.327 2.510 -10.076
89 HB2 ASP 540 2HB ASP 540 6.952 -0.223 -9.482
90 HB3 ASP 540 HB3 ASP 540 5.960 0.523 -8.271
91 H ARG 541 H ARG 541 6.751 1.336 -6.790
92 HA ARG 541 HA ARG 541 6.475 4.197 -5.924
93 HB2 ARG 541 2HB ARG 541 4.751 1.755 -5.598
94 HB3 ARG 541 HB3 ARG 541 4.920 2.786 -4.194
95 HG2 ARG 541 2HG ARG 541 3.013 3.593 -5.299
96 HG3 ARG 541 HG3 ARG 541 4.258 4.792 -5.599
97 HD2 ARG 541 2HD ARG 541 4.618 3.857 -7.894
98 HD3 ARG 541 HD3 ARG 541 3.444 2.583 -7.563
99 HE ARG 541 HE ARG 541 2.320 5.218 -7.126
100 HH11 ARG 541 1HH1 ARG 541 3.072 2.949 -9.755
101 HH12 ARG 541 2HH1 ARG 541 1.785 3.578 -10.754
102 HH21 ARG 541 1HH2 ARG 541 0.741 6.002 -8.486
103 HH22 ARG 541 2HH2 ARG 541 0.496 5.288 -10.054
104 H TYR 542 H TYR 542 7.430 0.929 -4.756
105 HA TYR 542 HA TYR 542 8.492 1.820 -2.277
106 HB2 TYR 542 2HB TYR 542 9.008 -0.338 -1.983
107 HB3 TYR 542 HB3 TYR 542 8.058 -0.609 -3.407
108 HD1 TYR 542 HD2 TYR 542 9.825 0.078 -5.642
109 HD2 TYR 542 HD1 TYR 542 10.789 -1.878 -1.923
110 HE1 TYR 542 HE2 TYR 542 11.761 -0.966 -6.718
111 HE2 TYR 542 HE1 TYR 542 12.742 -2.948 -3.004
112 HH TYR 542 HH TYR 542 13.968 -3.192 -4.951
113 H SER 543 H SER 543 9.685 2.240 -5.427
114 HA SER 543 HA SER 543 12.399 2.963 -5.100
115 HB2 SER 543 2HB SER 543 10.061 3.813 -6.910
116 HB3 SER 543 HB3 SER 543 11.643 4.495 -7.116
117 HG SER 543 HG SER 543 12.446 2.392 -7.552
118 H GLU 544 H GLU 544 9.401 4.980 -4.849
119 HA GLU 544 HA GLU 544 11.089 7.355 -4.318
120 HB2 GLU 544 2HB GLU 544 8.968 8.590 -4.121
121 HB3 GLU 544 HB3 GLU 544 9.244 7.853 -5.709
122 HG2 GLU 544 2HG GLU 544 7.643 6.072 -5.212
123 HG3 GLU 544 HG3 GLU 544 7.419 6.650 -3.562
124 H TYR 545 H TYR 545 8.783 5.291 -2.563
125 HA TYR 545 HA TYR 545 9.028 6.772 -0.095
126 HB2 TYR 545 2HB TYR 545 8.273 3.829 -0.526
127 HB3 TYR 545 HB3 TYR 545 8.047 4.720 0.964
128 HD1 TYR 545 HD1 TYR 545 6.671 7.026 0.696
129 HD2 TYR 545 HD2 TYR 545 6.435 3.663 -1.969
130 HE1 TYR 545 HE1 TYR 545 4.515 7.887 -0.191
131 HE2 TYR 545 HE2 TYR 545 4.348 4.567 -2.952
132 HH TYR 545 HH TYR 545 2.722 6.225 -2.831
133 H GLY 546 H GLY 546 10.675 3.875 -1.376
134 HA2 GLY 546 2HA GLY 546 12.371 3.385 0.778
135 HA3 GLY 546 HA3 GLY 546 12.770 2.995 -0.907
136 H ALA 547 H ALA 547 12.856 5.658 -1.876
137 HA ALA 547 HA ALA 547 15.527 6.389 -1.061
138 HB1 ALA 547 3HB ALA 547 14.801 6.435 -3.462
139 HB2 ALA 547 1HB ALA 547 13.581 7.664 -3.088
140 HB3 ALA 547 2HB ALA 547 15.304 8.054 -2.943
141 H ALA 548 H ALA 548 12.366 7.425 -0.127
142 HA ALA 548 HA ALA 548 13.364 9.910 1.170
143 HB1 ALA 548 3HB ALA 548 10.541 8.719 0.917
144 HB2 ALA 548 1HB ALA 548 10.941 10.324 1.553
145 HB3 ALA 548 2HB ALA 548 11.218 9.964 -0.154
146 H VAL 549 H VAL 549 12.754 6.653 1.937
147 HA VAL 549 HA VAL 549 12.516 7.280 4.842
148 HB VAL 549 HB VAL 549 11.529 4.883 3.229
149 HG11 VAL 549 1HG1 VAL 549 10.443 4.097 5.370
150 HG12 VAL 549 2HG1 VAL 549 12.192 3.999 5.436
151 HG13 VAL 549 3HG1 VAL 549 11.354 5.318 6.267
152 HG21 VAL 549 3HG2 VAL 549 9.265 5.682 3.887
153 HG22 VAL 549 1HG2 VAL 549 9.975 7.002 4.828
154 HG23 VAL 549 2HG2 VAL 549 10.107 6.994 3.072
155 H LEU 550 H LEU 550 14.269 5.289 2.502
156 HA LEU 550 HA LEU 550 15.860 4.019 4.658
157 HB2 LEU 550 2HB LEU 550 16.064 3.365 1.695
158 HB3 LEU 550 HB3 LEU 550 16.484 2.362 3.058
159 HG LEU 550 HG LEU 550 13.634 3.190 2.351
160 HD11 LEU 550 1HD1 LEU 550 14.630 1.888 0.499
161 HD12 LEU 550 2HD1 LEU 550 13.331 0.996 1.306
162 HD13 LEU 550 3HD1 LEU 550 15.030 0.576 1.636
163 HD21 LEU 550 3HD2 LEU 550 12.897 1.382 3.776
164 HD22 LEU 550 1HD2 LEU 550 13.903 2.510 4.702
165 HD23 LEU 550 2HD2 LEU 550 14.583 0.961 4.171
166 H PHE 551 H PHE 551 16.209 5.755 1.603
167 HA PHE 551 HA PHE 551 19.109 5.953 1.817
168 HB2 PHE 551 2HB PHE 551 17.817 5.805 -0.342
169 HB3 PHE 551 HB3 PHE 551 17.280 7.452 -0.073
170 HD1 PHE 551 HD1 PHE 551 20.310 5.345 -0.614
171 HD2 PHE 551 HD2 PHE 551 18.674 9.341 -0.617
172 HE1 PHE 551 HE1 PHE 551 22.373 6.199 -1.703
173 HE2 PHE 551 HE2 PHE 551 20.745 10.184 -1.693
174 HZ PHE 551 HZ PHE 551 22.595 8.622 -2.242
Start of MODEL 15
1 H1 LEU 532 H1 LEU 532 0.731 -1.795 -0.793
2 H2 LEU 532 H2 LEU 532 -0.166 -0.451 -0.730
3 H3 LEU 532 H3 LEU 532 1.313 -0.467 -0.041
4 HA LEU 532 HA LEU 532 1.397 0.783 -2.147
5 HB2 LEU 532 2HB LEU 532 3.162 -1.248 -1.278
6 HB3 LEU 532 HB3 LEU 532 2.846 -1.756 -2.912
7 HG LEU 532 HG LEU 532 3.474 0.705 -3.591
8 HD11 LEU 532 1HD1 LEU 532 4.595 0.620 -0.727
9 HD12 LEU 532 2HD1 LEU 532 3.368 1.752 -1.324
10 HD13 LEU 532 3HD1 LEU 532 5.020 1.829 -1.934
11 HD21 LEU 532 3HD2 LEU 532 4.949 -1.206 -4.059
12 HD22 LEU 532 1HD2 LEU 532 5.598 -1.152 -2.410
13 HD23 LEU 532 2HD2 LEU 532 5.891 0.192 -3.531
14 H VAL 533 H VAL 533 1.918 -0.036 -4.692
15 HA VAL 533 HA VAL 533 -0.634 -0.926 -5.823
16 HB VAL 533 HB VAL 533 2.062 -0.541 -7.184
17 HG11 VAL 533 1HG1 VAL 533 0.726 -2.025 -8.587
18 HG12 VAL 533 2HG1 VAL 533 -0.737 -1.055 -8.325
19 HG13 VAL 533 3HG1 VAL 533 0.605 -0.421 -9.310
20 HG21 VAL 533 3HG2 VAL 533 -0.393 1.303 -7.057
21 HG22 VAL 533 1HG2 VAL 533 1.171 1.615 -6.282
22 HG23 VAL 533 2HG2 VAL 533 1.043 1.597 -8.044
23 H ARG 534 H ARG 534 -1.012 -2.808 -6.842
24 HA ARG 534 HA ARG 534 -0.027 -5.077 -5.304
25 HB2 ARG 534 2HB ARG 534 -2.208 -4.745 -7.433
26 HB3 ARG 534 HB3 ARG 534 -1.797 -6.306 -6.755
27 HG2 ARG 534 2HG ARG 534 -3.722 -5.392 -5.600
28 HG3 ARG 534 HG3 ARG 534 -2.384 -5.577 -4.474
29 HD2 ARG 534 2HD ARG 534 -1.985 -3.205 -4.400
30 HD3 ARG 534 HD3 ARG 534 -3.014 -2.882 -5.803
31 HE ARG 534 HE ARG 534 -4.802 -4.009 -4.144
32 HH11 ARG 534 1HH1 ARG 534 -2.451 -1.456 -3.332
33 HH12 ARG 534 2HH1 ARG 534 -3.592 -0.663 -2.285
34 HH21 ARG 534 1HH2 ARG 534 -6.138 -2.978 -2.698
35 HH22 ARG 534 2HH2 ARG 534 -5.624 -1.519 -1.906
36 H VAL 535 H VAL 535 -0.217 -4.452 -8.797
37 HA VAL 535 HA VAL 535 1.284 -6.871 -9.405
38 HB VAL 535 HB VAL 535 0.861 -6.374 -11.765
39 HG11 VAL 535 1HG1 VAL 535 -1.658 -6.016 -10.059
40 HG12 VAL 535 2HG1 VAL 535 -1.579 -6.624 -11.723
41 HG13 VAL 535 3HG1 VAL 535 -0.870 -7.560 -10.402
42 HG21 VAL 535 3HG2 VAL 535 1.001 -3.872 -11.743
43 HG22 VAL 535 1HG2 VAL 535 -0.506 -4.440 -12.471
44 HG23 VAL 535 2HG2 VAL 535 -0.517 -3.796 -10.827
45 H ALA 536 H ALA 536 2.361 -3.618 -8.883
46 HA ALA 536 HA ALA 536 5.016 -4.268 -9.991
47 HB1 ALA 536 3HB ALA 536 3.336 -1.856 -10.886
48 HB2 ALA 536 1HB ALA 536 5.040 -2.139 -11.293
49 HB3 ALA 536 2HB ALA 536 3.794 -3.234 -11.902
50 H ARG 537 H ARG 537 6.470 -3.673 -8.629
51 HA ARG 537 HA ARG 537 6.054 -1.369 -6.751
52 HB2 ARG 537 2HB ARG 537 7.574 -3.934 -5.989
53 HB3 ARG 537 HB3 ARG 537 7.239 -2.529 -5.005
54 HG2 ARG 537 2HG ARG 537 5.535 -3.821 -4.202
55 HG3 ARG 537 HG3 ARG 537 4.650 -3.167 -5.564
56 HD2 ARG 537 2HD ARG 537 5.383 -5.252 -6.910
57 HD3 ARG 537 HD3 ARG 537 6.101 -5.884 -5.446
58 HE ARG 537 HE ARG 537 3.295 -5.836 -6.173
59 HH11 ARG 537 1HH1 ARG 537 5.344 -5.923 -3.270
60 HH12 ARG 537 2HH1 ARG 537 4.103 -6.733 -2.351
61 HH21 ARG 537 1HH2 ARG 537 1.835 -6.844 -4.990
62 HH22 ARG 537 2HH2 ARG 537 2.104 -7.220 -3.300
63 H LYS 538 H LYS 538 8.415 -3.614 -8.168
64 HA LYS 538 HA LYS 538 10.767 -2.139 -7.955
65 HB2 LYS 538 2HB LYS 538 10.540 -4.539 -8.554
66 HB3 LYS 538 HB3 LYS 538 9.982 -4.083 -10.165
67 HG2 LYS 538 2HG LYS 538 12.176 -2.922 -10.576
68 HG3 LYS 538 HG3 LYS 538 12.691 -3.321 -8.938
69 HD2 LYS 538 2HD LYS 538 12.463 -5.767 -9.476
70 HD3 LYS 538 HD3 LYS 538 12.016 -5.378 -11.123
71 HE2 LYS 538 2HE LYS 538 14.696 -4.595 -9.807
72 HE3 LYS 538 HE3 LYS 538 14.477 -6.018 -10.824
73 HZ1 LYS 538 3HZ LYS 538 15.342 -4.179 -12.126
74 HZ2 LYS 538 1HZ LYS 538 14.095 -3.198 -11.742
75 HZ3 LYS 538 2HZ LYS 538 13.844 -4.516 -12.673
76 H LEU 539 H LEU 539 11.453 -0.303 -8.779
77 HA LEU 539 HA LEU 539 11.663 1.600 -9.943
78 HB2 LEU 539 2HB LEU 539 11.991 -0.450 -11.788
79 HB3 LEU 539 HB3 LEU 539 10.717 0.449 -12.559
80 HG LEU 539 HG LEU 539 12.862 1.129 -13.419
81 HD11 LEU 539 1HD1 LEU 539 11.856 3.397 -11.629
82 HD12 LEU 539 2HD1 LEU 539 11.211 2.977 -13.220
83 HD13 LEU 539 3HD1 LEU 539 12.878 3.572 -13.057
84 HD21 LEU 539 3HD2 LEU 539 14.703 2.017 -12.108
85 HD22 LEU 539 1HD2 LEU 539 14.253 0.443 -11.443
86 HD23 LEU 539 2HD2 LEU 539 13.781 1.932 -10.605
87 H ASP 540 H ASP 540 9.266 1.194 -8.562
88 HA ASP 540 HA ASP 540 7.287 2.763 -10.136
89 HB2 ASP 540 2HB ASP 540 7.110 -0.017 -9.667
90 HB3 ASP 540 HB3 ASP 540 6.037 0.596 -8.459
91 H ARG 541 H ARG 541 6.832 1.370 -6.915
92 HA ARG 541 HA ARG 541 6.257 4.150 -5.911
93 HB2 ARG 541 2HB ARG 541 4.844 1.502 -5.654
94 HB3 ARG 541 HB3 ARG 541 4.930 2.503 -4.221
95 HG2 ARG 541 2HG ARG 541 2.890 3.078 -5.307
96 HG3 ARG 541 HG3 ARG 541 3.973 4.450 -5.469
97 HD2 ARG 541 2HD ARG 541 4.482 3.780 -7.827
98 HD3 ARG 541 HD3 ARG 541 3.452 2.355 -7.654
99 HE ARG 541 HE ARG 541 2.015 4.762 -6.968
100 HH11 ARG 541 1HH1 ARG 541 3.154 3.056 -9.865
101 HH12 ARG 541 2HH1 ARG 541 1.934 3.796 -10.863
102 HH21 ARG 541 1HH2 ARG 541 0.467 5.645 -8.311
103 HH22 ARG 541 2HH2 ARG 541 0.463 5.248 -9.997
104 H TYR 542 H TYR 542 7.447 0.943 -4.809
105 HA TYR 542 HA TYR 542 8.479 1.856 -2.331
106 HB2 TYR 542 2HB TYR 542 9.076 -0.292 -2.061
107 HB3 TYR 542 HB3 TYR 542 8.177 -0.592 -3.514
108 HD1 TYR 542 HD2 TYR 542 9.864 0.170 -5.710
109 HD2 TYR 542 HD1 TYR 542 10.992 -1.640 -1.972
110 HE1 TYR 542 HE2 TYR 542 11.879 -0.738 -6.786
111 HE2 TYR 542 HE1 TYR 542 13.017 -2.593 -3.043
112 HH TYR 542 HH TYR 542 14.255 -2.782 -4.995
113 H SER 543 H SER 543 9.628 2.378 -5.464
114 HA SER 543 HA SER 543 12.347 3.127 -5.166
115 HB2 SER 543 2HB SER 543 9.996 3.995 -6.941
116 HB3 SER 543 HB3 SER 543 11.586 4.665 -7.136
117 HG SER 543 HG SER 543 12.375 2.541 -7.576
118 H GLU 544 H GLU 544 9.335 5.144 -4.908
119 HA GLU 544 HA GLU 544 10.973 7.523 -4.350
120 HB2 GLU 544 2HB GLU 544 8.820 8.690 -4.092
121 HB3 GLU 544 HB3 GLU 544 9.109 7.978 -5.692
122 HG2 GLU 544 2HG GLU 544 7.564 6.144 -5.203
123 HG3 GLU 544 HG3 GLU 544 7.363 6.677 -3.533
124 H TYR 545 H TYR 545 8.784 5.373 -2.566
125 HA TYR 545 HA TYR 545 9.026 6.846 -0.071
126 HB2 TYR 545 2HB TYR 545 8.332 3.895 -0.504
127 HB3 TYR 545 HB3 TYR 545 8.061 4.809 0.970
128 HD1 TYR 545 HD1 TYR 545 6.598 7.076 0.599
129 HD2 TYR 545 HD2 TYR 545 6.550 3.605 -1.944
130 HE1 TYR 545 HE1 TYR 545 4.388 7.778 -0.316
131 HE2 TYR 545 HE2 TYR 545 4.407 4.307 -2.910
132 HH TYR 545 HH TYR 545 2.693 5.885 -2.859
133 H GLY 546 H GLY 546 10.625 3.930 -1.363
134 HA2 GLY 546 2HA GLY 546 12.259 3.378 0.815
135 HA3 GLY 546 HA3 GLY 546 12.640 2.928 -0.860
136 H ALA 547 H ALA 547 12.894 5.593 -1.840
137 HA ALA 547 HA ALA 547 15.629 6.087 -1.030
138 HB1 ALA 547 3HB ALA 547 13.829 7.541 -3.074
139 HB2 ALA 547 1HB ALA 547 15.582 7.748 -2.935
140 HB3 ALA 547 2HB ALA 547 14.924 6.186 -3.436
141 H ALA 548 H ALA 548 12.556 7.454 -0.189
142 HA ALA 548 HA ALA 548 13.744 9.848 1.073
143 HB1 ALA 548 3HB ALA 548 11.359 10.461 1.453
144 HB2 ALA 548 1HB ALA 548 11.594 10.004 -0.241
145 HB3 ALA 548 2HB ALA 548 10.840 8.858 0.886
146 H VAL 549 H VAL 549 12.864 6.656 1.925
147 HA VAL 549 HA VAL 549 12.707 7.375 4.812
148 HB VAL 549 HB VAL 549 11.510 5.014 3.277
149 HG11 VAL 549 1HG1 VAL 549 11.381 5.571 6.290
150 HG12 VAL 549 2HG1 VAL 549 10.361 4.405 5.427
151 HG13 VAL 549 3HG1 VAL 549 12.105 4.156 5.507
152 HG21 VAL 549 3HG2 VAL 549 10.299 7.248 3.042
153 HG22 VAL 549 1HG2 VAL 549 9.335 6.020 3.873
154 HG23 VAL 549 2HG2 VAL 549 10.136 7.307 4.801
155 H LEU 550 H LEU 550 14.313 5.212 2.533
156 HA LEU 550 HA LEU 550 15.758 3.850 4.726
157 HB2 LEU 550 2HB LEU 550 15.889 3.073 1.795
158 HB3 LEU 550 HB3 LEU 550 16.213 2.067 3.179
159 HG LEU 550 HG LEU 550 13.451 3.146 2.441
160 HD11 LEU 550 1HD1 LEU 550 14.321 1.706 0.628
161 HD12 LEU 550 2HD1 LEU 550 12.968 0.933 1.477
162 HD13 LEU 550 3HD1 LEU 550 14.634 0.420 1.806
163 HD21 LEU 550 3HD2 LEU 550 12.551 1.465 3.930
164 HD22 LEU 550 1HD2 LEU 550 13.664 2.534 4.807
165 HD23 LEU 550 2HD2 LEU 550 14.189 0.901 4.335
166 H PHE 551 H PHE 551 16.254 5.431 1.603
167 HA PHE 551 HA PHE 551 19.152 5.130 1.715
168 HB2 PHE 551 2HB PHE 551 17.683 5.155 -0.375
169 HB3 PHE 551 HB3 PHE 551 17.603 6.903 -0.204
170 HD1 PHE 551 HD2 PHE 551 19.878 4.004 -0.805
171 HD2 PHE 551 HD1 PHE 551 19.468 8.294 -0.893
172 HE1 PHE 551 HE2 PHE 551 22.007 4.181 -2.082
173 HE2 PHE 551 HE1 PHE 551 21.594 8.466 -2.171
174 HZ PHE 551 HZ PHE 551 22.862 6.416 -2.761
Start of MODEL 16
1 H1 LEU 532 H1 LEU 532 1.774 -1.002 0.787
2 H2 LEU 532 H2 LEU 532 3.348 -0.904 1.182
3 H3 LEU 532 H3 LEU 532 2.683 -2.339 0.778
4 HA LEU 532 HA LEU 532 2.980 -0.045 -1.099
5 HB2 LEU 532 2HB LEU 532 4.948 -1.903 -0.222
6 HB3 LEU 532 HB3 LEU 532 4.421 -2.626 -1.707
7 HG LEU 532 HG LEU 532 6.397 -1.267 -2.027
8 HD11 LEU 532 1HD1 LEU 532 4.691 -1.328 -3.897
9 HD12 LEU 532 2HD1 LEU 532 5.806 0.032 -3.932
10 HD13 LEU 532 3HD1 LEU 532 4.156 0.293 -3.376
11 HD21 LEU 532 3HD2 LEU 532 6.082 0.346 -0.148
12 HD22 LEU 532 1HD2 LEU 532 4.862 1.224 -1.100
13 HD23 LEU 532 2HD2 LEU 532 6.525 1.139 -1.666
14 H VAL 533 H VAL 533 2.574 -0.614 -3.390
15 HA VAL 533 HA VAL 533 -0.012 -1.743 -3.779
16 HB VAL 533 HB VAL 533 2.065 -1.260 -5.953
17 HG11 VAL 533 1HG1 VAL 533 0.073 -2.390 -6.849
18 HG12 VAL 533 2HG1 VAL 533 -1.007 -1.251 -6.027
19 HG13 VAL 533 3HG1 VAL 533 0.004 -0.707 -7.370
20 HG21 VAL 533 3HG2 VAL 533 1.115 1.069 -6.171
21 HG22 VAL 533 1HG2 VAL 533 0.174 0.801 -4.698
22 HG23 VAL 533 2HG2 VAL 533 1.952 0.830 -4.641
23 H ARG 534 H ARG 534 -0.704 -3.572 -4.637
24 HA ARG 534 HA ARG 534 0.860 -5.930 -4.254
25 HB2 ARG 534 2HB ARG 534 -1.161 -7.167 -4.464
26 HB3 ARG 534 HB3 ARG 534 -1.503 -5.724 -3.549
27 HG2 ARG 534 2HG ARG 534 -2.180 -6.059 -6.542
28 HG3 ARG 534 HG3 ARG 534 -3.251 -6.462 -5.226
29 HD2 ARG 534 2HD ARG 534 -3.139 -4.034 -4.438
30 HD3 ARG 534 HD3 ARG 534 -2.212 -3.666 -5.892
31 HE ARG 534 HE ARG 534 -4.077 -3.873 -7.216
32 HH11 ARG 534 1HH1 ARG 534 -4.994 -5.029 -3.995
33 HH12 ARG 534 2HH1 ARG 534 -6.686 -5.064 -4.391
34 HH21 ARG 534 1HH2 ARG 534 -6.267 -3.943 -7.652
35 HH22 ARG 534 2HH2 ARG 534 -7.395 -4.432 -6.428
36 H VAL 535 H VAL 535 1.912 -4.530 -6.376
37 HA VAL 535 HA VAL 535 2.688 -6.416 -8.246
38 HB VAL 535 HB VAL 535 0.550 -6.547 -9.296
39 HG11 VAL 535 1HG1 VAL 535 -0.723 -4.712 -10.262
40 HG12 VAL 535 2HG1 VAL 535 -0.441 -4.348 -8.559
41 HG13 VAL 535 3HG1 VAL 535 0.509 -3.536 -9.820
42 HG21 VAL 535 3HG2 VAL 535 2.306 -4.881 -11.146
43 HG22 VAL 535 1HG2 VAL 535 2.511 -6.608 -10.813
44 HG23 VAL 535 2HG2 VAL 535 1.045 -6.030 -11.617
45 H ALA 536 H ALA 536 1.818 -2.927 -8.113
46 HA ALA 536 HA ALA 536 4.178 -2.269 -9.702
47 HB1 ALA 536 3HB ALA 536 1.979 -1.298 -10.210
48 HB2 ALA 536 1HB ALA 536 1.961 -0.506 -8.604
49 HB3 ALA 536 2HB ALA 536 3.182 -0.067 -9.812
50 H ARG 537 H ARG 537 5.495 -3.045 -8.063
51 HA ARG 537 HA ARG 537 6.226 -1.076 -5.934
52 HB2 ARG 537 2HB ARG 537 7.917 -2.923 -5.188
53 HB3 ARG 537 HB3 ARG 537 6.274 -2.945 -4.631
54 HG2 ARG 537 2HG ARG 537 6.872 -4.532 -7.141
55 HG3 ARG 537 HG3 ARG 537 7.492 -5.137 -5.619
56 HD2 ARG 537 2HD ARG 537 5.307 -5.248 -4.616
57 HD3 ARG 537 HD3 ARG 537 4.554 -4.378 -5.950
58 HE ARG 537 HE ARG 537 5.562 -6.427 -7.312
59 HH11 ARG 537 1HH1 ARG 537 3.780 -6.593 -4.249
60 HH12 ARG 537 2HH1 ARG 537 3.151 -8.173 -4.603
61 HH21 ARG 537 1HH2 ARG 537 4.740 -8.484 -7.664
62 HH22 ARG 537 2HH2 ARG 537 3.677 -9.217 -6.511
63 H LYS 538 H LYS 538 7.915 -3.316 -8.161
64 HA LYS 538 HA LYS 538 10.387 -1.963 -7.926
65 HB2 LYS 538 2HB LYS 538 9.398 -4.096 -9.865
66 HB3 LYS 538 HB3 LYS 538 11.059 -3.495 -9.857
67 HG2 LYS 538 2HG LYS 538 11.268 -4.085 -7.427
68 HG3 LYS 538 HG3 LYS 538 9.656 -4.772 -7.447
69 HD2 LYS 538 2HD LYS 538 10.353 -6.410 -9.206
70 HD3 LYS 538 HD3 LYS 538 11.982 -5.745 -9.215
71 HE2 LYS 538 2HE LYS 538 10.659 -7.013 -6.739
72 HE3 LYS 538 HE3 LYS 538 11.747 -7.863 -7.848
73 HZ1 LYS 538 3HZ LYS 538 13.524 -6.280 -7.251
74 HZ2 LYS 538 1HZ LYS 538 12.953 -7.012 -5.912
75 HZ3 LYS 538 2HZ LYS 538 12.530 -5.470 -6.232
76 H LEU 539 H LEU 539 11.262 -0.318 -8.811
77 HA LEU 539 HA LEU 539 11.606 1.582 -9.967
78 HB2 LEU 539 2HB LEU 539 10.568 0.012 -12.397
79 HB3 LEU 539 HB3 LEU 539 11.370 1.553 -12.452
80 HG LEU 539 HG LEU 539 12.936 -0.055 -13.109
81 HD11 LEU 539 1HD1 LEU 539 13.824 1.764 -11.630
82 HD12 LEU 539 2HD1 LEU 539 14.811 0.295 -11.585
83 HD13 LEU 539 3HD1 LEU 539 13.731 0.667 -10.242
84 HD21 LEU 539 3HD2 LEU 539 13.649 -2.032 -11.943
85 HD22 LEU 539 1HD2 LEU 539 11.889 -2.090 -12.073
86 HD23 LEU 539 2HD2 LEU 539 12.666 -1.652 -10.532
87 H ASP 540 H ASP 540 9.160 1.229 -8.550
88 HA ASP 540 HA ASP 540 7.274 2.999 -10.049
89 HB2 ASP 540 2HB ASP 540 7.001 0.162 -9.397
90 HB3 ASP 540 HB3 ASP 540 5.779 1.012 -8.519
91 H ARG 541 H ARG 541 6.894 1.475 -6.854
92 HA ARG 541 HA ARG 541 6.282 4.219 -5.770
93 HB2 ARG 541 2HB ARG 541 4.970 1.510 -5.505
94 HB3 ARG 541 HB3 ARG 541 4.968 2.562 -4.111
95 HG2 ARG 541 2HG ARG 541 2.938 2.996 -5.216
96 HG3 ARG 541 HG3 ARG 541 3.940 4.414 -5.492
97 HD2 ARG 541 2HD ARG 541 4.406 3.674 -7.809
98 HD3 ARG 541 HD3 ARG 541 3.535 2.158 -7.525
99 HE ARG 541 HE ARG 541 1.813 4.315 -6.867
100 HH11 ARG 541 1HH1 ARG 541 3.200 2.969 -9.874
101 HH12 ARG 541 2HH1 ARG 541 1.834 3.497 -10.801
102 HH21 ARG 541 1HH2 ARG 541 0.143 4.968 -8.147
103 HH22 ARG 541 2HH2 ARG 541 0.146 4.614 -9.848
104 H TYR 542 H TYR 542 7.550 0.985 -4.829
105 HA TYR 542 HA TYR 542 8.635 1.829 -2.335
106 HB2 TYR 542 2HB TYR 542 9.210 -0.299 -2.104
107 HB3 TYR 542 HB3 TYR 542 8.208 -0.568 -3.484
108 HD1 TYR 542 HD2 TYR 542 10.054 0.312 -5.739
109 HD2 TYR 542 HD1 TYR 542 10.774 -2.031 -2.204
110 HE1 TYR 542 HE2 TYR 542 11.934 -0.755 -6.876
111 HE2 TYR 542 HE1 TYR 542 12.666 -3.170 -3.370
112 HH TYR 542 HH TYR 542 13.631 -2.352 -6.727
113 H SER 543 H SER 543 9.698 2.458 -5.465
114 HA SER 543 HA SER 543 12.446 3.159 -5.156
115 HB2 SER 543 2HB SER 543 10.103 4.053 -6.949
116 HB3 SER 543 HB3 SER 543 11.690 4.722 -7.125
117 HG SER 543 HG SER 543 12.486 2.649 -7.627
118 H GLU 544 H GLU 544 9.425 5.164 -4.916
119 HA GLU 544 HA GLU 544 11.068 7.528 -4.333
120 HB2 GLU 544 2HB GLU 544 8.925 8.717 -4.092
121 HB3 GLU 544 HB3 GLU 544 9.210 8.011 -5.696
122 HG2 GLU 544 2HG GLU 544 7.640 6.184 -5.202
123 HG3 GLU 544 HG3 GLU 544 7.419 6.740 -3.558
124 H TYR 545 H TYR 545 8.822 5.398 -2.577
125 HA TYR 545 HA TYR 545 9.077 6.875 -0.082
126 HB2 TYR 545 2HB TYR 545 8.285 3.951 -0.500
127 HB3 TYR 545 HB3 TYR 545 8.021 4.887 0.956
128 HD1 TYR 545 HD1 TYR 545 6.734 7.278 0.443
129 HD2 TYR 545 HD2 TYR 545 6.433 3.673 -1.877
130 HE1 TYR 545 HE1 TYR 545 4.642 8.130 -0.598
131 HE2 TYR 545 HE2 TYR 545 4.412 4.554 -2.994
132 HH TYR 545 HH TYR 545 2.993 7.752 -2.145
133 H GLY 546 H GLY 546 10.653 3.947 -1.366
134 HA2 GLY 546 2HA GLY 546 12.275 3.351 0.792
135 HA3 GLY 546 HA3 GLY 546 12.692 2.968 -0.881
136 H ALA 547 H ALA 547 12.941 5.634 -1.817
137 HA ALA 547 HA ALA 547 15.644 6.158 -0.940
138 HB1 ALA 547 3HB ALA 547 14.988 6.237 -3.361
139 HB2 ALA 547 1HB ALA 547 13.873 7.570 -3.029
140 HB3 ALA 547 2HB ALA 547 15.611 7.815 -2.846
141 H ALA 548 H ALA 548 12.543 7.466 -0.130
142 HA ALA 548 HA ALA 548 13.668 9.876 1.174
143 HB1 ALA 548 3HB ALA 548 10.801 8.816 0.891
144 HB2 ALA 548 1HB ALA 548 11.251 10.406 1.537
145 HB3 ALA 548 2HB ALA 548 11.538 10.025 -0.172
146 H VAL 549 H VAL 549 12.817 6.660 1.970
147 HA VAL 549 HA VAL 549 12.600 7.350 4.866
148 HB VAL 549 HB VAL 549 11.464 4.986 3.293
149 HG11 VAL 549 1HG1 VAL 549 11.254 5.543 6.303
150 HG12 VAL 549 2HG1 VAL 549 10.287 4.349 5.428
151 HG13 VAL 549 3HG1 VAL 549 12.019 4.127 5.536
152 HG21 VAL 549 3HG2 VAL 549 10.027 7.259 4.794
153 HG22 VAL 549 1HG2 VAL 549 10.230 7.205 3.037
154 HG23 VAL 549 2HG2 VAL 549 9.266 5.963 3.842
155 H LEU 550 H LEU 550 14.246 5.207 2.584
156 HA LEU 550 HA LEU 550 15.666 3.841 4.790
157 HB2 LEU 550 2HB LEU 550 15.894 3.107 1.851
158 HB3 LEU 550 HB3 LEU 550 16.186 2.092 3.231
159 HG LEU 550 HG LEU 550 13.430 3.149 2.451
160 HD11 LEU 550 1HD1 LEU 550 14.348 1.731 0.651
161 HD12 LEU 550 2HD1 LEU 550 12.989 0.944 1.467
162 HD13 LEU 550 3HD1 LEU 550 14.654 0.426 1.816
163 HD21 LEU 550 3HD2 LEU 550 14.184 0.908 4.358
164 HD22 LEU 550 1HD2 LEU 550 12.538 1.421 3.918
165 HD23 LEU 550 2HD2 LEU 550 13.586 2.518 4.816
166 H PHE 551 H PHE 551 16.227 5.485 1.719
167 HA PHE 551 HA PHE 551 19.125 5.301 1.911
168 HB2 PHE 551 2HB PHE 551 17.766 5.345 -0.214
169 HB3 PHE 551 HB3 PHE 551 17.547 7.075 0.035
170 HD1 PHE 551 HD2 PHE 551 20.047 4.386 -0.598
171 HD2 PHE 551 HD1 PHE 551 19.308 8.642 -0.528
172 HE1 PHE 551 HE2 PHE 551 22.201 4.782 -1.754
173 HE2 PHE 551 HE1 PHE 551 21.460 9.024 -1.703
174 HZ PHE 551 HZ PHE 551 22.918 7.100 -2.310
Start of MODEL 17
1 H1 LEU 532 H1 LEU 532 2.925 -1.547 0.971
2 H2 LEU 532 H2 LEU 532 2.279 -2.773 0.127
3 H3 LEU 532 H3 LEU 532 1.391 -1.465 0.467
4 HA LEU 532 HA LEU 532 2.798 -0.025 -0.908
5 HB2 LEU 532 2HB LEU 532 4.735 -1.722 -0.462
6 HB3 LEU 532 HB3 LEU 532 4.186 -2.619 -1.834
7 HG LEU 532 HG LEU 532 6.146 -1.152 -2.218
8 HD11 LEU 532 1HD1 LEU 532 3.896 -0.074 -3.967
9 HD12 LEU 532 2HD1 LEU 532 4.666 -1.668 -4.193
10 HD13 LEU 532 3HD1 LEU 532 5.618 -0.202 -4.331
11 HD21 LEU 532 3HD2 LEU 532 6.081 1.247 -2.221
12 HD22 LEU 532 1HD2 LEU 532 5.475 0.710 -0.651
13 HD23 LEU 532 2HD2 LEU 532 4.355 1.304 -1.896
14 H VAL 533 H VAL 533 2.935 -2.435 -3.293
15 HA VAL 533 HA VAL 533 0.146 -2.376 -4.189
16 HB VAL 533 HB VAL 533 2.387 -1.126 -5.876
17 HG11 VAL 533 1HG1 VAL 533 -0.521 -1.671 -6.648
18 HG12 VAL 533 2HG1 VAL 533 0.588 -0.664 -7.584
19 HG13 VAL 533 3HG1 VAL 533 0.938 -2.371 -7.384
20 HG21 VAL 533 3HG2 VAL 533 0.988 0.951 -5.890
21 HG22 VAL 533 1HG2 VAL 533 -0.105 0.217 -4.715
22 HG23 VAL 533 2HG2 VAL 533 1.585 0.568 -4.289
23 H ARG 534 H ARG 534 -0.177 -3.983 -5.741
24 HA ARG 534 HA ARG 534 1.908 -6.132 -5.725
25 HB2 ARG 534 2HB ARG 534 0.269 -7.778 -5.789
26 HB3 ARG 534 HB3 ARG 534 -0.189 -6.668 -4.529
27 HG2 ARG 534 2HG ARG 534 -1.449 -6.589 -7.334
28 HG3 ARG 534 HG3 ARG 534 -1.999 -7.663 -6.070
29 HD2 ARG 534 2HD ARG 534 -2.506 -5.730 -4.585
30 HD3 ARG 534 HD3 ARG 534 -1.993 -4.611 -5.858
31 HE ARG 534 HE ARG 534 -3.879 -6.307 -7.034
32 HH11 ARG 534 1HH1 ARG 534 -3.988 -3.927 -4.401
33 HH12 ARG 534 2HH1 ARG 534 -5.671 -3.608 -4.661
34 HH21 ARG 534 1HH2 ARG 534 -6.046 -5.848 -7.287
35 HH22 ARG 534 2HH2 ARG 534 -6.811 -4.673 -6.256
36 H VAL 535 H VAL 535 -0.098 -4.360 -7.960
37 HA VAL 535 HA VAL 535 0.498 -5.930 -10.308
38 HB VAL 535 HB VAL 535 -0.432 -3.031 -10.077
39 HG11 VAL 535 1HG1 VAL 535 0.459 -3.388 -12.358
40 HG12 VAL 535 2HG1 VAL 535 -0.461 -4.893 -12.516
41 HG13 VAL 535 3HG1 VAL 535 -1.305 -3.338 -12.416
42 HG21 VAL 535 3HG2 VAL 535 -2.703 -3.959 -10.539
43 HG22 VAL 535 1HG2 VAL 535 -2.044 -5.600 -10.477
44 HG23 VAL 535 2HG2 VAL 535 -2.061 -4.592 -9.027
45 H ALA 536 H ALA 536 2.135 -3.233 -8.671
46 HA ALA 536 HA ALA 536 4.543 -3.584 -10.310
47 HB1 ALA 536 3HB ALA 536 3.140 -1.835 -11.475
48 HB2 ALA 536 1HB ALA 536 3.033 -0.920 -9.965
49 HB3 ALA 536 2HB ALA 536 4.599 -1.129 -10.779
50 H ARG 537 H ARG 537 6.361 -2.586 -9.330
51 HA ARG 537 HA ARG 537 6.290 -1.158 -6.877
52 HB2 ARG 537 2HB ARG 537 7.633 -2.752 -5.509
53 HB3 ARG 537 HB3 ARG 537 5.932 -3.100 -5.665
54 HG2 ARG 537 2HG ARG 537 7.909 -4.530 -7.501
55 HG3 ARG 537 HG3 ARG 537 7.776 -5.011 -5.831
56 HD2 ARG 537 2HD ARG 537 5.489 -5.063 -7.865
57 HD3 ARG 537 HD3 ARG 537 6.399 -6.438 -7.311
58 HE ARG 537 HE ARG 537 4.331 -4.925 -5.842
59 HH11 ARG 537 1HH1 ARG 537 6.786 -7.467 -5.526
60 HH12 ARG 537 2HH1 ARG 537 6.087 -8.084 -4.063
61 HH21 ARG 537 1HH2 ARG 537 3.527 -5.724 -3.943
62 HH22 ARG 537 2HH2 ARG 537 4.238 -7.128 -3.190
63 H LYS 538 H LYS 538 8.488 -3.322 -8.638
64 HA LYS 538 HA LYS 538 10.854 -1.853 -8.347
65 HB2 LYS 538 2HB LYS 538 9.948 -3.736 -10.568
66 HB3 LYS 538 HB3 LYS 538 11.583 -3.100 -10.436
67 HG2 LYS 538 2HG LYS 538 11.817 -4.070 -8.148
68 HG3 LYS 538 HG3 LYS 538 10.204 -4.747 -8.256
69 HD2 LYS 538 2HD LYS 538 10.894 -6.089 -10.267
70 HD3 LYS 538 HD3 LYS 538 12.525 -5.431 -10.138
71 HE2 LYS 538 2HE LYS 538 12.767 -6.457 -7.847
72 HE3 LYS 538 HE3 LYS 538 11.125 -7.115 -7.966
73 HZ1 LYS 538 3HZ LYS 538 11.858 -8.408 -9.915
74 HZ2 LYS 538 1HZ LYS 538 12.791 -8.763 -8.623
75 HZ3 LYS 538 2HZ LYS 538 13.369 -7.799 -9.813
76 H LEU 539 H LEU 539 11.532 0.001 -9.009
77 HA LEU 539 HA LEU 539 11.778 2.007 -9.985
78 HB2 LEU 539 2HB LEU 539 10.722 0.675 -12.547
79 HB3 LEU 539 HB3 LEU 539 11.470 2.244 -12.448
80 HG LEU 539 HG LEU 539 13.077 0.800 -13.318
81 HD11 LEU 539 1HD1 LEU 539 13.945 2.467 -11.670
82 HD12 LEU 539 2HD1 LEU 539 14.976 1.038 -11.807
83 HD13 LEU 539 3HD1 LEU 539 13.916 1.219 -10.407
84 HD21 LEU 539 3HD2 LEU 539 13.885 -1.262 -12.444
85 HD22 LEU 539 1HD2 LEU 539 12.120 -1.380 -12.463
86 HD23 LEU 539 2HD2 LEU 539 12.982 -1.089 -10.931
87 H ASP 540 H ASP 540 9.174 1.195 -8.723
88 HA ASP 540 HA ASP 540 7.303 3.100 -10.071
89 HB2 ASP 540 2HB ASP 540 7.099 0.269 -9.690
90 HB3 ASP 540 HB3 ASP 540 5.936 0.910 -8.568
91 H ARG 541 H ARG 541 6.824 1.500 -6.961
92 HA ARG 541 HA ARG 541 6.217 4.202 -5.772
93 HB2 ARG 541 2HB ARG 541 4.864 1.501 -5.708
94 HB3 ARG 541 HB3 ARG 541 4.884 2.407 -4.206
95 HG2 ARG 541 2HG ARG 541 2.851 2.964 -5.290
96 HG3 ARG 541 HG3 ARG 541 3.869 4.390 -5.374
97 HD2 ARG 541 2HD ARG 541 4.425 3.824 -7.767
98 HD3 ARG 541 HD3 ARG 541 3.419 2.377 -7.650
99 HE ARG 541 HE ARG 541 1.909 4.674 -6.850
100 HH11 ARG 541 1HH1 ARG 541 3.153 3.247 -9.864
101 HH12 ARG 541 2HH1 ARG 541 1.961 4.078 -10.822
102 HH21 ARG 541 1HH2 ARG 541 0.383 5.633 -8.141
103 HH22 ARG 541 2HH2 ARG 541 0.408 5.384 -9.864
104 H TYR 542 H TYR 542 7.370 0.936 -4.835
105 HA TYR 542 HA TYR 542 8.435 1.684 -2.322
106 HB2 TYR 542 2HB TYR 542 8.895 -0.502 -2.193
107 HB3 TYR 542 HB3 TYR 542 8.108 -0.653 -3.734
108 HD1 TYR 542 HD2 TYR 542 9.852 0.134 -5.768
109 HD2 TYR 542 HD1 TYR 542 10.850 -1.838 -2.082
110 HE1 TYR 542 HE2 TYR 542 11.870 -0.731 -6.832
111 HE2 TYR 542 HE1 TYR 542 12.913 -2.756 -3.156
112 HH TYR 542 HH TYR 542 13.801 -2.024 -6.557
113 H SER 543 H SER 543 9.656 2.307 -5.450
114 HA SER 543 HA SER 543 12.400 2.944 -5.015
115 HB2 SER 543 2HB SER 543 10.154 3.806 -6.933
116 HB3 SER 543 HB3 SER 543 11.743 4.505 -7.048
117 HG SER 543 HG SER 543 12.613 2.409 -7.413
118 H GLU 544 H GLU 544 9.437 5.055 -4.963
119 HA GLU 544 HA GLU 544 11.116 7.375 -4.338
120 HB2 GLU 544 2HB GLU 544 8.985 8.598 -4.122
121 HB3 GLU 544 HB3 GLU 544 9.269 7.863 -5.707
122 HG2 GLU 544 2HG GLU 544 7.671 6.084 -5.223
123 HG3 GLU 544 HG3 GLU 544 7.467 6.626 -3.563
124 H TYR 545 H TYR 545 8.820 5.291 -2.575
125 HA TYR 545 HA TYR 545 9.100 6.760 -0.090
126 HB2 TYR 545 2HB TYR 545 8.333 3.814 -0.488
127 HB3 TYR 545 HB3 TYR 545 8.064 4.757 0.974
128 HD1 TYR 545 HD1 TYR 545 6.706 7.105 0.493
129 HD2 TYR 545 HD2 TYR 545 6.502 3.517 -1.868
130 HE1 TYR 545 HE1 TYR 545 4.571 7.890 -0.497
131 HE2 TYR 545 HE2 TYR 545 4.436 4.329 -2.943
132 HH TYR 545 HH TYR 545 2.901 7.448 -2.024
133 H GLY 546 H GLY 546 10.653 3.798 -1.359
134 HA2 GLY 546 2HA GLY 546 12.384 3.234 0.731
135 HA3 GLY 546 HA3 GLY 546 12.747 2.906 -0.962
136 H ALA 547 H ALA 547 12.892 5.619 -1.837
137 HA ALA 547 HA ALA 547 15.596 6.189 -0.984
138 HB1 ALA 547 3HB ALA 547 13.780 7.571 -3.045
139 HB2 ALA 547 1HB ALA 547 15.525 7.860 -2.885
140 HB3 ALA 547 2HB ALA 547 14.936 6.278 -3.405
141 H ALA 548 H ALA 548 12.456 7.425 -0.198
142 HA ALA 548 HA ALA 548 13.509 9.901 1.047
143 HB1 ALA 548 3HB ALA 548 10.664 8.761 0.794
144 HB2 ALA 548 1HB ALA 548 11.086 10.377 1.392
145 HB3 ALA 548 2HB ALA 548 11.385 9.965 -0.292
146 H VAL 549 H VAL 549 12.743 6.695 1.925
147 HA VAL 549 HA VAL 549 12.561 7.423 4.808
148 HB VAL 549 HB VAL 549 11.521 4.971 3.309
149 HG11 VAL 549 1HG1 VAL 549 10.366 4.350 5.453
150 HG12 VAL 549 2HG1 VAL 549 12.117 4.246 5.592
151 HG13 VAL 549 3HG1 VAL 549 11.255 5.631 6.290
152 HG21 VAL 549 3HG2 VAL 549 9.995 7.258 4.704
153 HG22 VAL 549 1HG2 VAL 549 10.152 7.089 2.957
154 HG23 VAL 549 2HG2 VAL 549 9.258 5.877 3.864
155 H LEU 550 H LEU 550 14.257 5.292 2.541
156 HA LEU 550 HA LEU 550 15.749 4.042 4.779
157 HB2 LEU 550 2HB LEU 550 15.972 3.221 1.861
158 HB3 LEU 550 HB3 LEU 550 16.309 2.266 3.282
159 HG LEU 550 HG LEU 550 13.514 3.198 2.462
160 HD11 LEU 550 1HD1 LEU 550 14.852 0.512 1.910
161 HD12 LEU 550 2HD1 LEU 550 14.491 1.761 0.703
162 HD13 LEU 550 3HD1 LEU 550 13.173 0.934 1.532
163 HD21 LEU 550 3HD2 LEU 550 12.674 1.485 3.959
164 HD22 LEU 550 1HD2 LEU 550 13.687 2.644 4.849
165 HD23 LEU 550 2HD2 LEU 550 14.330 1.040 4.437
166 H PHE 551 H PHE 551 16.219 5.612 1.660
167 HA PHE 551 HA PHE 551 19.133 5.483 1.820
168 HB2 PHE 551 2HB PHE 551 17.659 5.427 -0.282
169 HB3 PHE 551 HB3 PHE 551 17.527 7.171 -0.127
170 HD1 PHE 551 HD1 PHE 551 19.912 4.339 -0.614
171 HD2 PHE 551 HD2 PHE 551 19.323 8.605 -0.885
172 HE1 PHE 551 HE1 PHE 551 22.018 4.542 -1.927
173 HE2 PHE 551 HE2 PHE 551 21.434 8.807 -2.179
174 HZ PHE 551 HZ PHE 551 22.788 6.782 -2.690
Start of MODEL 18
1 H1 LEU 532 H1 LEU 532 2.776 0.921 0.536
2 H2 LEU 532 H2 LEU 532 2.663 -0.634 0.044
3 H3 LEU 532 H3 LEU 532 1.331 0.223 0.331
4 HA LEU 532 HA LEU 532 1.691 1.726 -1.521
5 HB2 LEU 532 2HB LEU 532 3.641 1.559 -2.970
6 HB3 LEU 532 HB3 LEU 532 4.128 1.756 -1.329
7 HG LEU 532 HG LEU 532 4.055 -1.109 -1.784
8 HD11 LEU 532 1HD1 LEU 532 5.587 0.347 -3.985
9 HD12 LEU 532 2HD1 LEU 532 4.137 -0.633 -4.249
10 HD13 LEU 532 3HD1 LEU 532 5.622 -1.381 -3.658
11 HD21 LEU 532 3HD2 LEU 532 6.402 0.834 -1.576
12 HD22 LEU 532 1HD2 LEU 532 6.496 -0.922 -1.351
13 HD23 LEU 532 2HD2 LEU 532 5.571 0.072 -0.217
14 H VAL 533 H VAL 533 2.069 0.858 -4.062
15 HA VAL 533 HA VAL 533 -0.305 -0.529 -4.635
16 HB VAL 533 HB VAL 533 2.115 -0.224 -6.475
17 HG11 VAL 533 1HG1 VAL 533 0.336 -0.321 -8.316
18 HG12 VAL 533 2HG1 VAL 533 0.647 -1.854 -7.499
19 HG13 VAL 533 3HG1 VAL 533 -0.802 -0.908 -7.082
20 HG21 VAL 533 3HG2 VAL 533 0.915 1.806 -7.333
21 HG22 VAL 533 1HG2 VAL 533 -0.346 1.572 -6.119
22 HG23 VAL 533 2HG2 VAL 533 1.298 1.990 -5.621
23 H ARG 534 H ARG 534 -0.775 -2.498 -5.431
24 HA ARG 534 HA ARG 534 0.665 -4.666 -4.053
25 HB2 ARG 534 2HB ARG 534 -2.095 -4.567 -5.398
26 HB3 ARG 534 HB3 ARG 534 -1.428 -5.953 -4.558
27 HG2 ARG 534 2HG ARG 534 -2.825 -4.984 -2.986
28 HG3 ARG 534 HG3 ARG 534 -1.215 -4.541 -2.438
29 HD2 ARG 534 2HD ARG 534 -1.532 -2.211 -3.201
30 HD3 ARG 534 HD3 ARG 534 -2.960 -2.655 -4.110
31 HE ARG 534 HE ARG 534 -4.240 -2.769 -2.167
32 HH11 ARG 534 1HH1 ARG 534 -0.907 -1.944 -1.221
33 HH12 ARG 534 2HH1 ARG 534 -1.371 -1.744 0.444
34 HH21 ARG 534 1HH2 ARG 534 -4.747 -2.362 -0.050
35 HH22 ARG 534 2HH2 ARG 534 -3.506 -1.911 1.083
36 H VAL 535 H VAL 535 -0.478 -4.005 -7.344
37 HA VAL 535 HA VAL 535 0.425 -6.504 -8.460
38 HB VAL 535 HB VAL 535 -0.404 -3.902 -9.827
39 HG11 VAL 535 1HG1 VAL 535 -0.041 -6.694 -11.048
40 HG12 VAL 535 2HG1 VAL 535 -0.833 -5.329 -11.863
41 HG13 VAL 535 3HG1 VAL 535 0.874 -5.236 -11.477
42 HG21 VAL 535 3HG2 VAL 535 -2.587 -5.087 -10.191
43 HG22 VAL 535 1HG2 VAL 535 -1.993 -6.465 -9.257
44 HG23 VAL 535 2HG2 VAL 535 -2.249 -4.890 -8.474
45 H ALA 536 H ALA 536 1.894 -3.247 -8.267
46 HA ALA 536 HA ALA 536 4.438 -4.271 -9.436
47 HB1 ALA 536 3HB ALA 536 2.959 -1.661 -10.090
48 HB2 ALA 536 1HB ALA 536 4.566 -2.095 -10.679
49 HB3 ALA 536 2HB ALA 536 3.156 -3.019 -11.201
50 H ARG 537 H ARG 537 6.162 -3.673 -8.376
51 HA ARG 537 HA ARG 537 6.048 -1.482 -6.328
52 HB2 ARG 537 2HB ARG 537 7.537 -4.133 -5.829
53 HB3 ARG 537 HB3 ARG 537 7.362 -2.773 -4.751
54 HG2 ARG 537 2HG ARG 537 5.737 -4.082 -3.827
55 HG3 ARG 537 HG3 ARG 537 4.715 -3.339 -5.047
56 HD2 ARG 537 2HD ARG 537 5.205 -5.356 -6.563
57 HD3 ARG 537 HD3 ARG 537 6.141 -6.061 -5.265
58 HE ARG 537 HE ARG 537 3.251 -5.986 -5.555
59 HH11 ARG 537 1HH1 ARG 537 5.732 -6.261 -3.025
60 HH12 ARG 537 2HH1 ARG 537 4.647 -7.120 -1.971
61 HH21 ARG 537 1HH2 ARG 537 1.978 -7.047 -4.205
62 HH22 ARG 537 2HH2 ARG 537 2.513 -7.528 -2.615
63 H LYS 538 H LYS 538 8.200 -3.803 -7.975
64 HA LYS 538 HA LYS 538 10.623 -2.474 -7.831
65 HB2 LYS 538 2HB LYS 538 10.286 -4.822 -8.449
66 HB3 LYS 538 HB3 LYS 538 9.560 -4.354 -9.986
67 HG2 LYS 538 2HG LYS 538 11.709 -3.400 -10.758
68 HG3 LYS 538 HG3 LYS 538 12.418 -3.576 -9.165
69 HD2 LYS 538 2HD LYS 538 13.283 -5.332 -10.536
70 HD3 LYS 538 HD3 LYS 538 12.219 -6.076 -9.350
71 HE2 LYS 538 2HE LYS 538 10.402 -6.288 -11.098
72 HE3 LYS 538 HE3 LYS 538 11.425 -5.421 -12.269
73 HZ1 LYS 538 3HZ LYS 538 12.125 -8.046 -11.039
74 HZ2 LYS 538 1HZ LYS 538 13.044 -7.236 -12.121
75 HZ3 LYS 538 2HZ LYS 538 11.583 -7.824 -12.558
76 H LEU 539 H LEU 539 11.401 -0.667 -8.657
77 HA LEU 539 HA LEU 539 11.664 1.288 -9.781
78 HB2 LEU 539 2HB LEU 539 10.766 -0.343 -12.208
79 HB3 LEU 539 HB3 LEU 539 11.604 1.188 -12.280
80 HG LEU 539 HG LEU 539 12.803 -1.335 -11.015
81 HD11 LEU 539 1HD1 LEU 539 13.262 -0.156 -13.807
82 HD12 LEU 539 2HD1 LEU 539 12.424 -1.681 -13.433
83 HD13 LEU 539 3HD1 LEU 539 14.149 -1.512 -13.105
84 HD21 LEU 539 3HD2 LEU 539 14.072 1.352 -11.780
85 HD22 LEU 539 1HD2 LEU 539 14.958 -0.080 -11.239
86 HD23 LEU 539 2HD2 LEU 539 13.851 0.732 -10.133
87 H ASP 540 H ASP 540 9.197 0.976 -8.442
88 HA ASP 540 HA ASP 540 7.319 2.568 -10.137
89 HB2 ASP 540 2HB ASP 540 6.985 -0.169 -9.457
90 HB3 ASP 540 HB3 ASP 540 5.946 0.615 -8.318
91 H ARG 541 H ARG 541 6.853 1.391 -6.847
92 HA ARG 541 HA ARG 541 6.487 4.235 -5.929
93 HB2 ARG 541 2HB ARG 541 4.824 1.735 -5.655
94 HB3 ARG 541 HB3 ARG 541 4.973 2.752 -4.245
95 HG2 ARG 541 2HG ARG 541 3.032 3.532 -5.304
96 HG3 ARG 541 HG3 ARG 541 4.230 4.758 -5.653
97 HD2 ARG 541 2HD ARG 541 4.544 3.867 -7.962
98 HD3 ARG 541 HD3 ARG 541 3.488 2.491 -7.580
99 HE ARG 541 HE ARG 541 2.167 5.023 -7.112
100 HH11 ARG 541 1HH1 ARG 541 3.029 2.847 -9.804
101 HH12 ARG 541 2HH1 ARG 541 1.679 3.380 -10.749
102 HH21 ARG 541 1HH2 ARG 541 0.482 5.660 -8.413
103 HH22 ARG 541 2HH2 ARG 541 0.254 4.942 -9.978
104 H TYR 542 H TYR 542 7.491 0.960 -4.821
105 HA TYR 542 HA TYR 542 8.512 1.825 -2.313
106 HB2 TYR 542 2HB TYR 542 9.054 -0.327 -2.043
107 HB3 TYR 542 HB3 TYR 542 8.127 -0.600 -3.474
108 HD1 TYR 542 HD2 TYR 542 9.912 0.136 -5.695
109 HD2 TYR 542 HD1 TYR 542 10.804 -1.860 -1.983
110 HE1 TYR 542 HE2 TYR 542 11.837 -0.933 -6.756
111 HE2 TYR 542 HE1 TYR 542 12.740 -2.985 -3.059
112 HH TYR 542 HH TYR 542 13.988 -3.219 -4.988
113 H SER 543 H SER 543 9.709 2.296 -5.457
114 HA SER 543 HA SER 543 12.407 3.068 -5.145
115 HB2 SER 543 2HB SER 543 10.032 3.907 -6.904
116 HB3 SER 543 HB3 SER 543 11.604 4.601 -7.131
117 HG SER 543 HG SER 543 12.425 2.493 -7.569
118 H GLU 544 H GLU 544 9.394 5.091 -4.923
119 HA GLU 544 HA GLU 544 11.062 7.441 -4.322
120 HB2 GLU 544 2HB GLU 544 8.932 8.652 -4.077
121 HB3 GLU 544 HB3 GLU 544 9.211 7.941 -5.675
122 HG2 GLU 544 2HG GLU 544 7.632 6.138 -5.210
123 HG3 GLU 544 HG3 GLU 544 7.410 6.659 -3.546
124 H TYR 545 H TYR 545 8.795 5.329 -2.580
125 HA TYR 545 HA TYR 545 9.052 6.779 -0.084
126 HB2 TYR 545 2HB TYR 545 8.312 3.838 -0.537
127 HB3 TYR 545 HB3 TYR 545 8.037 4.721 0.951
128 HD1 TYR 545 HD1 TYR 545 6.681 7.086 0.584
129 HD2 TYR 545 HD2 TYR 545 6.468 3.605 -1.961
130 HE1 TYR 545 HE1 TYR 545 4.534 7.905 -0.364
131 HE2 TYR 545 HE2 TYR 545 4.388 4.455 -2.959
132 HH TYR 545 HH TYR 545 2.854 7.538 -1.897
133 H GLY 546 H GLY 546 10.676 3.884 -1.394
134 HA2 GLY 546 2HA GLY 546 12.374 3.316 0.735
135 HA3 GLY 546 HA3 GLY 546 12.767 2.992 -0.957
136 H ALA 547 H ALA 547 12.891 5.649 -1.865
137 HA ALA 547 HA ALA 547 15.580 6.308 -1.014
138 HB1 ALA 547 3HB ALA 547 15.437 7.958 -2.919
139 HB2 ALA 547 1HB ALA 547 14.895 6.357 -3.424
140 HB3 ALA 547 2HB ALA 547 13.698 7.627 -3.074
141 H ALA 548 H ALA 548 12.423 7.445 -0.158
142 HA ALA 548 HA ALA 548 13.450 9.897 1.151
143 HB1 ALA 548 3HB ALA 548 10.619 8.721 0.921
144 HB2 ALA 548 1HB ALA 548 11.024 10.315 1.551
145 HB3 ALA 548 2HB ALA 548 11.305 9.946 -0.162
146 H VAL 549 H VAL 549 12.748 6.646 1.935
147 HA VAL 549 HA VAL 549 12.538 7.306 4.838
148 HB VAL 549 HB VAL 549 11.507 4.898 3.262
149 HG11 VAL 549 1HG1 VAL 549 11.316 5.405 6.281
150 HG12 VAL 549 2HG1 VAL 549 10.389 4.181 5.394
151 HG13 VAL 549 3HG1 VAL 549 12.139 4.054 5.489
152 HG21 VAL 549 3HG2 VAL 549 9.260 5.756 3.860
153 HG22 VAL 549 1HG2 VAL 549 9.964 7.066 4.818
154 HG23 VAL 549 2HG2 VAL 549 10.146 7.051 3.054
155 H LEU 550 H LEU 550 14.256 5.265 2.527
156 HA LEU 550 HA LEU 550 15.773 3.957 4.701
157 HB2 LEU 550 2HB LEU 550 16.022 3.287 1.754
158 HB3 LEU 550 HB3 LEU 550 16.389 2.273 3.125
159 HG LEU 550 HG LEU 550 13.577 3.179 2.377
160 HD11 LEU 550 1HD1 LEU 550 14.932 0.527 1.707
161 HD12 LEU 550 2HD1 LEU 550 14.575 1.821 0.553
162 HD13 LEU 550 3HD1 LEU 550 13.246 0.967 1.352
163 HD21 LEU 550 3HD2 LEU 550 12.784 1.372 3.814
164 HD22 LEU 550 1HD2 LEU 550 13.766 2.530 4.718
165 HD23 LEU 550 2HD2 LEU 550 14.463 0.964 4.255
166 H PHE 551 H PHE 551 16.212 5.695 1.655
167 HA PHE 551 HA PHE 551 19.127 5.736 1.880
168 HB2 PHE 551 2HB PHE 551 17.810 5.667 -0.275
169 HB3 PHE 551 HB3 PHE 551 17.394 7.353 -0.017
170 HD1 PHE 551 HD1 PHE 551 20.223 4.994 -0.604
171 HD2 PHE 551 HD2 PHE 551 18.932 9.117 -0.591
172 HE1 PHE 551 HE1 PHE 551 22.327 5.670 -1.756
173 HE2 PHE 551 HE2 PHE 551 21.031 9.777 -1.745
174 HZ PHE 551 HZ PHE 551 22.723 8.058 -2.339
Start of MODEL 19
1 H1 LEU 532 H1 LEU 532 2.630 -2.421 0.774
2 H2 LEU 532 H2 LEU 532 1.830 -1.056 1.095
3 H3 LEU 532 H3 LEU 532 3.431 -1.139 1.384
4 HA LEU 532 HA LEU 532 3.018 0.164 -0.660
5 HB2 LEU 532 2HB LEU 532 4.964 -1.692 -0.213
6 HB3 LEU 532 HB3 LEU 532 4.253 -2.494 -1.578
7 HG LEU 532 HG LEU 532 6.233 -1.215 -2.129
8 HD11 LEU 532 1HD1 LEU 532 4.281 -1.339 -3.831
9 HD12 LEU 532 2HD1 LEU 532 5.575 -0.182 -4.137
10 HD13 LEU 532 3HD1 LEU 532 4.031 0.383 -3.495
11 HD21 LEU 532 3HD2 LEU 532 6.080 0.552 -0.382
12 HD22 LEU 532 1HD2 LEU 532 4.793 1.364 -1.304
13 HD23 LEU 532 2HD2 LEU 532 6.409 1.214 -1.977
14 H VAL 533 H VAL 533 2.327 0.181 -2.912
15 HA VAL 533 HA VAL 533 -0.213 -0.902 -3.508
16 HB VAL 533 HB VAL 533 1.936 0.025 -5.483
17 HG11 VAL 533 1HG1 VAL 533 -1.083 -0.400 -5.814
18 HG12 VAL 533 2HG1 VAL 533 -0.124 0.580 -6.939
19 HG13 VAL 533 3HG1 VAL 533 0.217 -1.135 -6.768
20 HG21 VAL 533 3HG2 VAL 533 1.402 1.823 -3.843
21 HG22 VAL 533 1HG2 VAL 533 0.700 2.220 -5.405
22 HG23 VAL 533 2HG2 VAL 533 -0.337 1.584 -4.120
23 H ARG 534 H ARG 534 -0.915 -2.452 -4.894
24 HA ARG 534 HA ARG 534 0.588 -4.974 -4.624
25 HB2 ARG 534 2HB ARG 534 -2.330 -4.398 -5.392
26 HB3 ARG 534 HB3 ARG 534 -1.620 -5.994 -5.282
27 HG2 ARG 534 2HG ARG 534 -2.690 -5.748 -3.222
28 HG3 ARG 534 HG3 ARG 534 -1.010 -5.468 -2.826
29 HD2 ARG 534 2HD ARG 534 -1.408 -3.020 -2.695
30 HD3 ARG 534 HD3 ARG 534 -3.033 -3.196 -3.331
31 HE ARG 534 HE ARG 534 -2.062 -3.727 -0.612
32 HH11 ARG 534 1HH1 ARG 534 -4.759 -4.405 -2.794
33 HH12 ARG 534 2HH1 ARG 534 -5.848 -4.766 -1.480
34 HH21 ARG 534 1HH2 ARG 534 -3.507 -4.198 1.029
35 HH22 ARG 534 2HH2 ARG 534 -5.137 -4.669 0.647
36 H VAL 535 H VAL 535 -1.093 -3.216 -7.219
37 HA VAL 535 HA VAL 535 -0.375 -5.066 -9.290
38 HB VAL 535 HB VAL 535 -1.264 -3.405 -10.896
39 HG11 VAL 535 1HG1 VAL 535 -3.584 -3.413 -10.106
40 HG12 VAL 535 2HG1 VAL 535 -2.811 -4.940 -9.706
41 HG13 VAL 535 3HG1 VAL 535 -3.067 -3.728 -8.440
42 HG21 VAL 535 3HG2 VAL 535 -1.632 -1.528 -8.505
43 HG22 VAL 535 1HG2 VAL 535 -0.475 -1.278 -9.822
44 HG23 VAL 535 2HG2 VAL 535 -2.210 -1.245 -10.147
45 H ALA 536 H ALA 536 1.469 -2.459 -7.930
46 HA ALA 536 HA ALA 536 3.672 -2.960 -9.763
47 HB1 ALA 536 3HB ALA 536 2.420 -0.178 -9.401
48 HB2 ALA 536 1HB ALA 536 3.872 -0.551 -10.348
49 HB3 ALA 536 2HB ALA 536 2.309 -1.147 -10.881
50 H ARG 537 H ARG 537 5.643 -2.354 -8.906
51 HA ARG 537 HA ARG 537 5.894 -0.792 -6.506
52 HB2 ARG 537 2HB ARG 537 7.243 -2.550 -5.283
53 HB3 ARG 537 HB3 ARG 537 5.498 -2.631 -5.196
54 HG2 ARG 537 2HG ARG 537 6.965 -4.363 -7.203
55 HG3 ARG 537 HG3 ARG 537 6.947 -4.797 -5.521
56 HD2 ARG 537 2HD ARG 537 4.481 -4.545 -7.321
57 HD3 ARG 537 HD3 ARG 537 5.185 -6.010 -6.707
58 HE ARG 537 HE ARG 537 3.529 -4.054 -5.245
59 HH11 ARG 537 1HH1 ARG 537 5.588 -6.922 -4.818
60 HH12 ARG 537 2HH1 ARG 537 4.892 -7.279 -3.269
61 HH21 ARG 537 1HH2 ARG 537 2.719 -4.561 -3.278
62 HH22 ARG 537 2HH2 ARG 537 3.281 -5.963 -2.402
63 H LYS 538 H LYS 538 7.699 -3.256 -8.341
64 HA LYS 538 HA LYS 538 10.242 -2.156 -8.191
65 HB2 LYS 538 2HB LYS 538 10.824 -3.651 -10.051
66 HB3 LYS 538 HB3 LYS 538 9.876 -4.434 -8.804
67 HG2 LYS 538 2HG LYS 538 7.807 -4.188 -10.270
68 HG3 LYS 538 HG3 LYS 538 8.838 -3.500 -11.526
69 HD2 LYS 538 2HD LYS 538 10.188 -5.596 -11.617
70 HD3 LYS 538 HD3 LYS 538 9.225 -6.277 -10.320
71 HE2 LYS 538 2HE LYS 538 8.381 -7.213 -12.386
72 HE3 LYS 538 HE3 LYS 538 7.141 -6.109 -11.778
73 HZ1 LYS 538 3HZ LYS 538 7.933 -4.440 -13.379
74 HZ2 LYS 538 1HZ LYS 538 7.574 -5.814 -14.179
75 HZ3 LYS 538 2HZ LYS 538 9.134 -5.417 -13.904
76 H LEU 539 H LEU 539 11.185 -0.427 -8.947
77 HA LEU 539 HA LEU 539 11.585 1.537 -9.943
78 HB2 LEU 539 2HB LEU 539 11.969 -0.246 -11.837
79 HB3 LEU 539 HB3 LEU 539 10.477 0.370 -12.536
80 HG LEU 539 HG LEU 539 11.589 2.713 -12.555
81 HD11 LEU 539 1HD1 LEU 539 14.080 1.030 -11.884
82 HD12 LEU 539 2HD1 LEU 539 13.417 2.352 -10.910
83 HD13 LEU 539 3HD1 LEU 539 14.120 2.691 -12.484
84 HD21 LEU 539 3HD2 LEU 539 12.909 0.488 -14.194
85 HD22 LEU 539 1HD2 LEU 539 12.901 2.204 -14.593
86 HD23 LEU 539 2HD2 LEU 539 11.384 1.299 -14.585
87 H ASP 540 H ASP 540 9.070 1.270 -8.634
88 HA ASP 540 HA ASP 540 7.296 3.149 -10.131
89 HB2 ASP 540 2HB ASP 540 6.836 0.321 -9.512
90 HB3 ASP 540 HB3 ASP 540 5.650 1.236 -8.661
91 H ARG 541 H ARG 541 7.030 1.565 -6.945
92 HA ARG 541 HA ARG 541 6.339 4.263 -5.803
93 HB2 ARG 541 2HB ARG 541 4.990 1.564 -5.689
94 HB3 ARG 541 HB3 ARG 541 5.005 2.522 -4.224
95 HG2 ARG 541 2HG ARG 541 2.999 3.067 -5.280
96 HG3 ARG 541 HG3 ARG 541 4.027 4.475 -5.503
97 HD2 ARG 541 2HD ARG 541 4.456 3.825 -7.868
98 HD3 ARG 541 HD3 ARG 541 3.536 2.323 -7.652
99 HE ARG 541 HE ARG 541 1.904 4.496 -6.850
100 HH11 ARG 541 1HH1 ARG 541 3.179 3.257 -9.948
101 HH12 ARG 541 2HH1 ARG 541 1.819 3.917 -10.816
102 HH21 ARG 541 1HH2 ARG 541 0.237 5.311 -8.070
103 HH22 ARG 541 2HH2 ARG 541 0.207 5.061 -9.782
104 H TYR 542 H TYR 542 7.489 0.998 -4.852
105 HA TYR 542 HA TYR 542 8.572 1.818 -2.348
106 HB2 TYR 542 2HB TYR 542 9.090 -0.345 -2.106
107 HB3 TYR 542 HB3 TYR 542 8.089 -0.567 -3.507
108 HD1 TYR 542 HD2 TYR 542 9.850 0.179 -5.763
109 HD2 TYR 542 HD1 TYR 542 10.732 -2.033 -2.171
110 HE1 TYR 542 HE2 TYR 542 11.621 -1.005 -6.946
111 HE2 TYR 542 HE1 TYR 542 12.532 -3.238 -3.360
112 HH TYR 542 HH TYR 542 13.662 -3.530 -5.358
113 H SER 543 H SER 543 9.746 2.322 -5.489
114 HA SER 543 HA SER 543 12.461 3.049 -5.142
115 HB2 SER 543 2HB SER 543 10.131 3.972 -6.927
116 HB3 SER 543 HB3 SER 543 11.734 4.625 -7.115
117 HG SER 543 HG SER 543 12.485 2.503 -7.580
118 H GLU 544 H GLU 544 9.481 5.120 -4.931
119 HA GLU 544 HA GLU 544 11.169 7.431 -4.275
120 HB2 GLU 544 2HB GLU 544 9.034 8.661 -4.059
121 HB3 GLU 544 HB3 GLU 544 9.320 7.962 -5.661
122 HG2 GLU 544 2HG GLU 544 7.715 6.173 -5.220
123 HG3 GLU 544 HG3 GLU 544 7.497 6.706 -3.546
124 H TYR 545 H TYR 545 8.860 5.326 -2.580
125 HA TYR 545 HA TYR 545 9.086 6.770 -0.068
126 HB2 TYR 545 2HB TYR 545 8.330 3.842 -0.543
127 HB3 TYR 545 HB3 TYR 545 8.060 4.736 0.946
128 HD1 TYR 545 HD1 TYR 545 6.723 7.110 0.540
129 HD2 TYR 545 HD2 TYR 545 6.492 3.590 -1.934
130 HE1 TYR 545 HE1 TYR 545 4.591 7.939 -0.451
131 HE2 TYR 545 HE2 TYR 545 4.447 4.461 -3.008
132 HH TYR 545 HH TYR 545 2.937 7.568 -2.010
133 H GLY 546 H GLY 546 10.712 3.874 -1.391
134 HA2 GLY 546 2HA GLY 546 12.395 3.312 0.745
135 HA3 GLY 546 HA3 GLY 546 12.802 2.985 -0.941
136 H ALA 547 H ALA 547 12.909 5.656 -1.836
137 HA ALA 547 HA ALA 547 15.579 6.332 -0.969
138 HB1 ALA 547 3HB ALA 547 13.718 7.684 -3.018
139 HB2 ALA 547 1HB ALA 547 15.449 7.996 -2.861
140 HB3 ALA 547 2HB ALA 547 14.889 6.397 -3.381
141 H ALA 548 H ALA 548 12.402 7.462 -0.139
142 HA ALA 548 HA ALA 548 13.401 9.929 1.147
143 HB1 ALA 548 3HB ALA 548 11.261 9.937 -0.209
144 HB2 ALA 548 1HB ALA 548 10.567 8.744 0.903
145 HB3 ALA 548 2HB ALA 548 10.968 10.371 1.478
146 H VAL 549 H VAL 549 12.719 6.697 1.963
147 HA VAL 549 HA VAL 549 12.494 7.357 4.863
148 HB VAL 549 HB VAL 549 11.508 4.928 3.304
149 HG11 VAL 549 1HG1 VAL 549 12.131 4.144 5.565
150 HG12 VAL 549 2HG1 VAL 549 11.254 5.500 6.314
151 HG13 VAL 549 3HG1 VAL 549 10.382 4.235 5.445
152 HG21 VAL 549 3HG2 VAL 549 9.929 7.115 4.785
153 HG22 VAL 549 1HG2 VAL 549 10.122 7.050 3.032
154 HG23 VAL 549 2HG2 VAL 549 9.245 5.764 3.868
155 H LEU 550 H LEU 550 14.251 5.316 2.556
156 HA LEU 550 HA LEU 550 15.760 4.053 4.763
157 HB2 LEU 550 2HB LEU 550 16.011 3.328 1.832
158 HB3 LEU 550 HB3 LEU 550 16.368 2.337 3.225
159 HG LEU 550 HG LEU 550 13.563 3.210 2.420
160 HD11 LEU 550 1HD1 LEU 550 14.600 1.845 0.635
161 HD12 LEU 550 2HD1 LEU 550 13.258 0.997 1.420
162 HD13 LEU 550 3HD1 LEU 550 14.938 0.563 1.809
163 HD21 LEU 550 3HD2 LEU 550 14.410 1.002 4.330
164 HD22 LEU 550 1HD2 LEU 550 12.750 1.462 3.873
165 HD23 LEU 550 2HD2 LEU 550 13.762 2.599 4.789
166 H PHE 551 H PHE 551 16.214 5.716 1.678
167 HA PHE 551 HA PHE 551 19.120 5.702 1.861
168 HB2 PHE 551 2HB PHE 551 17.745 5.678 -0.267
169 HB3 PHE 551 HB3 PHE 551 17.417 7.376 0.000
170 HD1 PHE 551 HD1 PHE 551 20.115 4.886 -0.649
171 HD2 PHE 551 HD2 PHE 551 19.055 9.068 -0.557
172 HE1 PHE 551 HE1 PHE 551 22.230 5.447 -1.814
173 HE2 PHE 551 HE2 PHE 551 21.182 9.627 -1.705
174 HZ PHE 551 HZ PHE 551 22.776 7.827 -2.334
Start of MODEL 20
1 H1 LEU 532 H1 LEU 532 2.426 -1.282 -0.318
2 H2 LEU 532 H2 LEU 532 0.950 -0.686 -0.149
3 H3 LEU 532 H3 LEU 532 2.218 0.219 0.320
4 HA LEU 532 HA LEU 532 1.298 1.042 -1.802
5 HB2 LEU 532 2HB LEU 532 3.426 1.325 -2.985
6 HB3 LEU 532 HB3 LEU 532 3.604 1.457 -1.263
7 HG LEU 532 HG LEU 532 4.473 -0.976 -1.261
8 HD11 LEU 532 1HD1 LEU 532 3.868 -1.865 -3.390
9 HD12 LEU 532 2HD1 LEU 532 5.605 -1.611 -3.481
10 HD13 LEU 532 3HD1 LEU 532 4.515 -0.465 -4.270
11 HD21 LEU 532 3HD2 LEU 532 6.746 -0.256 -1.843
12 HD22 LEU 532 1HD2 LEU 532 5.920 1.011 -0.948
13 HD23 LEU 532 2HD2 LEU 532 6.096 1.151 -2.707
14 H VAL 533 H VAL 533 1.839 0.601 -4.321
15 HA VAL 533 HA VAL 533 -0.271 -1.031 -5.149
16 HB VAL 533 HB VAL 533 2.139 -0.216 -6.798
17 HG11 VAL 533 1HG1 VAL 533 0.888 -1.876 -8.087
18 HG12 VAL 533 2HG1 VAL 533 -0.646 -1.047 -7.755
19 HG13 VAL 533 3HG1 VAL 533 0.577 -0.300 -8.784
20 HG21 VAL 533 3HG2 VAL 533 -0.572 1.229 -6.444
21 HG22 VAL 533 1HG2 VAL 533 0.963 1.779 -5.744
22 HG23 VAL 533 2HG2 VAL 533 0.747 1.774 -7.490
23 H ARG 534 H ARG 534 -0.530 -2.974 -5.805
24 HA ARG 534 HA ARG 534 1.489 -4.966 -5.066
25 HB2 ARG 534 2HB ARG 534 -0.172 -6.599 -4.946
26 HB3 ARG 534 HB3 ARG 534 -0.813 -5.174 -4.190
27 HG2 ARG 534 2HG ARG 534 -1.555 -6.048 -7.049
28 HG3 ARG 534 HG3 ARG 534 -2.397 -6.570 -5.618
29 HD2 ARG 534 2HD ARG 534 -3.004 -4.244 -5.033
30 HD3 ARG 534 HD3 ARG 534 -2.187 -3.641 -6.480
31 HE ARG 534 HE ARG 534 -4.018 -5.666 -7.273
32 HH11 ARG 534 1HH1 ARG 534 -4.219 -2.374 -5.958
33 HH12 ARG 534 2HH1 ARG 534 -5.761 -2.093 -6.714
34 HH21 ARG 534 1HH2 ARG 534 -5.996 -5.215 -8.203
35 HH22 ARG 534 2HH2 ARG 534 -6.738 -3.664 -7.973
36 H VAL 535 H VAL 535 -0.146 -4.072 -8.047
37 HA VAL 535 HA VAL 535 0.955 -6.253 -9.598
38 HB VAL 535 HB VAL 535 0.040 -5.143 -11.588
39 HG11 VAL 535 1HG1 VAL 535 -1.977 -5.113 -9.303
40 HG12 VAL 535 2HG1 VAL 535 -2.315 -5.324 -11.025
41 HG13 VAL 535 3HG1 VAL 535 -1.419 -6.571 -10.139
42 HG21 VAL 535 3HG2 VAL 535 -0.868 -2.856 -9.754
43 HG22 VAL 535 1HG2 VAL 535 0.434 -2.718 -10.945
44 HG23 VAL 535 2HG2 VAL 535 -1.218 -3.028 -11.471
45 H ALA 536 H ALA 536 2.285 -3.201 -8.653
46 HA ALA 536 HA ALA 536 4.674 -3.575 -10.343
47 HB1 ALA 536 3HB ALA 536 4.361 -1.278 -11.330
48 HB2 ALA 536 1HB ALA 536 3.045 -2.355 -11.809
49 HB3 ALA 536 2HB ALA 536 2.779 -1.154 -10.534
50 H ARG 537 H ARG 537 6.193 -3.430 -8.920
51 HA ARG 537 HA ARG 537 6.171 -1.345 -6.753
52 HB2 ARG 537 2HB ARG 537 7.534 -4.118 -6.727
53 HB3 ARG 537 HB3 ARG 537 7.672 -2.882 -5.499
54 HG2 ARG 537 2HG ARG 537 6.012 -4.106 -4.499
55 HG3 ARG 537 HG3 ARG 537 5.015 -3.006 -5.439
56 HD2 ARG 537 2HD ARG 537 4.143 -5.273 -5.600
57 HD3 ARG 537 HD3 ARG 537 4.691 -4.770 -7.186
58 HE ARG 537 HE ARG 537 6.808 -6.132 -5.812
59 HH11 ARG 537 1HH1 ARG 537 3.686 -6.964 -7.267
60 HH12 ARG 537 2HH1 ARG 537 4.243 -8.541 -7.742
61 HH21 ARG 537 1HH2 ARG 537 7.443 -8.185 -6.426
62 HH22 ARG 537 2HH2 ARG 537 6.314 -9.246 -7.209
63 H LYS 538 H LYS 538 8.336 -3.388 -8.700
64 HA LYS 538 HA LYS 538 10.700 -1.934 -8.258
65 HB2 LYS 538 2HB LYS 538 9.965 -3.919 -10.447
66 HB3 LYS 538 HB3 LYS 538 11.591 -3.292 -10.188
67 HG2 LYS 538 2HG LYS 538 11.495 -4.141 -7.777
68 HG3 LYS 538 HG3 LYS 538 9.959 -4.909 -8.142
69 HD2 LYS 538 2HD LYS 538 12.619 -5.503 -9.557
70 HD3 LYS 538 HD3 LYS 538 11.929 -6.451 -8.250
71 HE2 LYS 538 2HE LYS 538 9.899 -6.962 -9.679
72 HE3 LYS 538 HE3 LYS 538 10.630 -6.081 -11.028
73 HZ1 LYS 538 3HZ LYS 538 11.082 -8.449 -11.188
74 HZ2 LYS 538 1HZ LYS 538 11.819 -8.488 -9.731
75 HZ3 LYS 538 2HZ LYS 538 12.499 -7.662 -10.968
76 H LEU 539 H LEU 539 11.462 -0.126 -8.991
77 HA LEU 539 HA LEU 539 11.812 1.782 -10.093
78 HB2 LEU 539 2HB LEU 539 12.209 -0.020 -12.028
79 HB3 LEU 539 HB3 LEU 539 10.700 0.600 -12.668
80 HG LEU 539 HG LEU 539 11.796 2.958 -12.599
81 HD11 LEU 539 1HD1 LEU 539 14.326 1.264 -12.200
82 HD12 LEU 539 2HD1 LEU 539 13.706 2.475 -11.072
83 HD13 LEU 539 3HD1 LEU 539 14.300 2.979 -12.651
84 HD21 LEU 539 3HD2 LEU 539 12.980 2.571 -14.746
85 HD22 LEU 539 1HD2 LEU 539 11.465 1.672 -14.694
86 HD23 LEU 539 2HD2 LEU 539 12.992 0.821 -14.440
87 H ASP 540 H ASP 540 9.176 1.113 -8.883
88 HA ASP 540 HA ASP 540 7.368 3.036 -10.317
89 HB2 ASP 540 2HB ASP 540 6.971 0.178 -9.412
90 HB3 ASP 540 HB3 ASP 540 5.637 1.241 -9.116
91 H ARG 541 H ARG 541 7.464 1.341 -7.147
92 HA ARG 541 HA ARG 541 6.423 3.880 -5.880
93 HB2 ARG 541 2HB ARG 541 5.427 0.999 -5.747
94 HB3 ARG 541 HB3 ARG 541 4.974 2.201 -4.563
95 HG2 ARG 541 2HG ARG 541 4.339 2.279 -7.551
96 HG3 ARG 541 HG3 ARG 541 3.238 1.987 -6.228
97 HD2 ARG 541 2HD ARG 541 3.837 4.383 -5.377
98 HD3 ARG 541 HD3 ARG 541 4.626 4.611 -6.943
99 HE ARG 541 HE ARG 541 1.980 3.662 -7.388
100 HH11 ARG 541 1HH1 ARG 541 3.677 6.624 -6.369
101 HH12 ARG 541 2HH1 ARG 541 2.332 7.635 -6.815
102 HH21 ARG 541 1HH2 ARG 541 0.314 5.066 -7.990
103 HH22 ARG 541 2HH2 ARG 541 0.483 6.770 -7.732
104 H TYR 542 H TYR 542 7.710 0.638 -4.973
105 HA TYR 542 HA TYR 542 8.688 1.467 -2.444
106 HB2 TYR 542 2HB TYR 542 9.414 -0.656 -2.299
107 HB3 TYR 542 HB3 TYR 542 8.457 -0.899 -3.728
108 HD1 TYR 542 HD2 TYR 542 10.076 0.068 -5.954
109 HD2 TYR 542 HD1 TYR 542 11.309 -2.039 -2.397
110 HE1 TYR 542 HE2 TYR 542 12.062 -0.716 -7.137
111 HE2 TYR 542 HE1 TYR 542 13.317 -2.880 -3.610
112 HH TYR 542 HH TYR 542 14.500 -2.887 -5.579
113 H SER 543 H SER 543 9.849 2.133 -5.527
114 HA SER 543 HA SER 543 12.527 3.007 -5.188
115 HB2 SER 543 2HB SER 543 10.168 3.754 -7.018
116 HB3 SER 543 HB3 SER 543 11.737 4.473 -7.200
117 HG SER 543 HG SER 543 12.592 2.375 -7.590
118 H GLU 544 H GLU 544 9.412 4.903 -5.098
119 HA GLU 544 HA GLU 544 10.914 7.359 -4.542
120 HB2 GLU 544 2HB GLU 544 8.722 8.425 -4.346
121 HB3 GLU 544 HB3 GLU 544 9.009 7.644 -5.912
122 HG2 GLU 544 2HG GLU 544 7.573 5.770 -5.321
123 HG3 GLU 544 HG3 GLU 544 7.334 6.373 -3.689
124 H TYR 545 H TYR 545 8.811 5.145 -2.730
125 HA TYR 545 HA TYR 545 8.947 6.712 -0.292
126 HB2 TYR 545 2HB TYR 545 8.334 3.744 -0.627
127 HB3 TYR 545 HB3 TYR 545 7.951 4.714 0.787
128 HD1 TYR 545 HD1 TYR 545 6.534 7.044 0.003
129 HD2 TYR 545 HD2 TYR 545 6.569 3.216 -1.965
130 HE1 TYR 545 HE1 TYR 545 4.399 7.608 -1.129
131 HE2 TYR 545 HE2 TYR 545 4.497 3.794 -3.160
132 HH TYR 545 HH TYR 545 2.787 6.921 -2.648
133 H GLY 546 H GLY 546 10.609 3.729 -1.393
134 HA2 GLY 546 2HA GLY 546 12.220 3.290 0.799
135 HA3 GLY 546 HA3 GLY 546 12.687 2.850 -0.842
136 H ALA 547 H ALA 547 12.910 5.486 -1.883
137 HA ALA 547 HA ALA 547 15.570 6.070 -0.930
138 HB1 ALA 547 3HB ALA 547 14.997 6.008 -3.370
139 HB2 ALA 547 1HB ALA 547 13.888 7.370 -3.158
140 HB3 ALA 547 2HB ALA 547 15.627 7.605 -2.935
141 H ALA 548 H ALA 548 12.432 7.383 -0.303
142 HA ALA 548 HA ALA 548 13.491 9.905 0.855
143 HB1 ALA 548 3HB ALA 548 10.634 8.815 0.538
144 HB2 ALA 548 1HB ALA 548 11.065 10.446 1.088
145 HB3 ALA 548 2HB ALA 548 11.430 9.957 -0.561
146 H VAL 549 H VAL 549 12.590 6.743 1.828
147 HA VAL 549 HA VAL 549 12.298 7.619 4.668
148 HB VAL 549 HB VAL 549 11.274 5.107 3.234
149 HG11 VAL 549 1HG1 VAL 549 10.894 5.906 6.164
150 HG12 VAL 549 2HG1 VAL 549 10.013 4.601 5.340
151 HG13 VAL 549 3HG1 VAL 549 11.749 4.472 5.585
152 HG21 VAL 549 3HG2 VAL 549 9.015 6.087 3.654
153 HG22 VAL 549 1HG2 VAL 549 9.734 7.485 4.460
154 HG23 VAL 549 2HG2 VAL 549 9.978 7.244 2.731
155 H LEU 550 H LEU 550 14.051 5.342 2.581
156 HA LEU 550 HA LEU 550 15.422 4.184 4.936
157 HB2 LEU 550 2HB LEU 550 15.758 3.250 2.063
158 HB3 LEU 550 HB3 LEU 550 16.019 2.333 3.528
159 HG LEU 550 HG LEU 550 13.287 3.285 2.553
160 HD11 LEU 550 1HD1 LEU 550 14.312 1.733 0.914
161 HD12 LEU 550 2HD1 LEU 550 12.932 0.981 1.727
162 HD13 LEU 550 3HD1 LEU 550 14.586 0.533 2.190
163 HD21 LEU 550 3HD2 LEU 550 13.353 2.828 4.973
164 HD22 LEU 550 1HD2 LEU 550 13.979 1.196 4.655
165 HD23 LEU 550 2HD2 LEU 550 12.345 1.654 4.108
166 H PHE 551 H PHE 551 16.065 5.632 1.765
167 HA PHE 551 HA PHE 551 18.944 5.482 2.084
168 HB2 PHE 551 2HB PHE 551 17.678 5.366 -0.106
169 HB3 PHE 551 HB3 PHE 551 17.440 7.100 0.004
170 HD1 PHE 551 HD1 PHE 551 20.014 4.410 -0.241
171 HD2 PHE 551 HD2 PHE 551 19.203 8.630 -0.652
172 HE1 PHE 551 HE1 PHE 551 22.232 4.729 -1.334
173 HE2 PHE 551 HE2 PHE 551 21.411 8.937 -1.742
174 HZ PHE 551 HZ PHE 551 22.928 7.003 -2.089