Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635914 | 6qax RC | 34340 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 0.964 1.092 -7.189
2 HA LEU 1 HA LEU 1 2.037 -1.123 -5.871
3 HB2 LEU 1 2HB LEU 1 4.085 0.463 -6.444
4 HB3 LEU 1 3HB LEU 1 3.548 1.273 -4.974
5 HG LEU 1 HG LEU 1 4.093 -1.674 -4.979
6 HD11 LEU 1 1HD1 LEU 1 6.018 0.040 -5.805
7 HD12 LEU 1 2HD1 LEU 1 6.327 -1.453 -4.920
8 HD13 LEU 1 3HD1 LEU 1 6.258 0.084 -4.058
9 HD21 LEU 1 1HD2 LEU 1 3.334 0.314 -3.065
10 HD22 LEU 1 2HD2 LEU 1 4.900 -0.368 -2.622
11 HD23 LEU 1 3HD2 LEU 1 3.509 -1.429 -2.853
12 H GLY 2 H GLY 2 0.115 -1.217 -4.798
13 HA2 GLY 2 2HA GLY 2 -0.223 0.048 -2.376
14 HA3 GLY 2 3HA GLY 2 -1.084 1.048 -3.536
15 H GLN 3 H GLN 3 -2.811 0.057 -4.773
16 HA GLN 3 HA GLN 3 -4.742 -1.172 -3.337
17 HB2 GLN 3 2HB GLN 3 -4.234 -1.707 -6.268
18 HB3 GLN 3 3HB GLN 3 -5.769 -1.880 -5.428
19 HG2 GLN 3 2HG GLN 3 -5.820 0.518 -5.004
20 HG3 GLN 3 3HG GLN 3 -4.269 0.700 -5.822
21 HE21 GLN 3 1HE2 GLN 3 -7.636 0.544 -6.172
22 HE22 GLN 3 2HE2 GLN 3 -7.702 0.601 -7.897
23 H GLN 4 H GLN 4 -4.851 -3.020 -2.263
24 HA GLN 4 HA GLN 4 -2.979 -5.045 -2.296
25 HB2 GLN 4 2HB GLN 4 -4.859 -6.464 -1.293
26 HB3 GLN 4 3HB GLN 4 -4.428 -4.984 -0.448
27 HG2 GLN 4 2HG GLN 4 -6.354 -3.871 -1.185
28 HG3 GLN 4 3HG GLN 4 -6.679 -5.081 -2.424
29 HE21 GLN 4 1HE2 GLN 4 -8.749 -5.485 -1.704
30 HE22 GLN 4 2HE2 GLN 4 -9.077 -6.322 -0.228
31 H GLN 5 H GLN 5 -3.024 -7.208 -3.099
32 HA GLN 5 HA GLN 5 -4.141 -7.358 -5.781
33 HB2 GLN 5 2HB GLN 5 -1.819 -7.972 -5.548
34 HB3 GLN 5 3HB GLN 5 -2.208 -9.137 -4.289
35 HG2 GLN 5 2HG GLN 5 -3.558 -10.382 -5.995
36 HG3 GLN 5 3HG GLN 5 -2.885 -9.298 -7.212
37 HE21 GLN 5 1HE2 GLN 5 -2.221 -11.518 -7.989
38 HE22 GLN 5 2HE2 GLN 5 -0.676 -12.088 -7.468
39 HA PRO 6 HA PRO 6 -7.566 -9.861 -4.573
40 HB2 PRO 6 2HB PRO 6 -8.183 -10.870 -7.017
41 HB3 PRO 6 3HB PRO 6 -8.538 -9.203 -6.548
42 HG2 PRO 6 2HG PRO 6 -6.263 -10.270 -8.175
43 HG3 PRO 6 3HG PRO 6 -7.253 -8.825 -8.449
44 HD2 PRO 6 2HD PRO 6 -4.781 -8.709 -7.351
45 HD3 PRO 6 3HD PRO 6 -6.073 -7.571 -6.917
46 H PHE 7 H PHE 7 -7.155 -11.643 -3.410
47 HA PHE 7 HA PHE 7 -5.243 -13.566 -3.819
48 HB2 PHE 7 2HB PHE 7 -6.840 -15.094 -2.499
49 HB3 PHE 7 3HB PHE 7 -6.319 -13.598 -1.731
50 HD1 PHE 7 HD1 PHE 7 -9.107 -15.143 -3.620
51 HD2 PHE 7 HD2 PHE 7 -7.879 -12.022 -0.999
52 HE1 PHE 7 HE1 PHE 7 -11.459 -14.504 -3.283
53 HE2 PHE 7 HE2 PHE 7 -10.229 -11.379 -0.657
54 HZ PHE 7 HZ PHE 7 -12.023 -12.621 -1.799
55 HA PRO 8 HA PRO 8 -6.457 -16.130 -7.166
56 HB2 PRO 8 2HB PRO 8 -5.657 -18.578 -6.308
57 HB3 PRO 8 3HB PRO 8 -4.523 -17.320 -6.814
58 HG2 PRO 8 2HG PRO 8 -5.361 -18.116 -4.052
59 HG3 PRO 8 3HG PRO 8 -3.742 -17.729 -4.662
60 HD2 PRO 8 2HD PRO 8 -5.232 -15.957 -3.258
61 HD3 PRO 8 3HD PRO 8 -4.098 -15.456 -4.529
62 HA PRO 9 HA PRO 9 -10.347 -18.078 -6.528
63 HB2 PRO 9 2HB PRO 9 -10.274 -20.154 -8.275
64 HB3 PRO 9 3HB PRO 9 -10.425 -18.470 -8.790
65 HG2 PRO 9 2HG PRO 9 -7.993 -20.213 -8.705
66 HG3 PRO 9 3HG PRO 9 -8.516 -19.084 -9.968
67 HD2 PRO 9 2HD PRO 9 -6.605 -18.458 -8.156
68 HD3 PRO 9 3HD PRO 9 -7.710 -17.246 -8.835
69 H GLN 10 H GLN 10 -11.219 -19.457 -5.096
70 HA GLN 10 HA GLN 10 -11.424 -21.122 -3.560
71 HB2 GLN 10 2HB GLN 10 -11.153 -22.457 -5.736
72 HB3 GLN 10 3HB GLN 10 -9.500 -22.746 -5.209
73 HG2 GLN 10 2HG GLN 10 -10.117 -24.253 -3.677
74 HG3 GLN 10 3HG GLN 10 -11.533 -23.325 -3.185
75 HE21 GLN 10 1HE2 GLN 10 -13.392 -23.390 -4.666
76 HE22 GLN 10 2HE2 GLN 10 -13.717 -24.861 -5.510
77 H GLN 11 H GLN 11 -10.465 -20.270 -1.774
78 HA GLN 11 HA GLN 11 -7.787 -19.770 -1.338
79 HB2 GLN 11 2HB GLN 11 -8.292 -19.609 0.969
80 HB3 GLN 11 3HB GLN 11 -9.754 -19.118 0.124
81 HG2 GLN 11 2HG GLN 11 -10.172 -21.788 0.436
82 HG3 GLN 11 3HG GLN 11 -9.276 -21.389 1.900
83 HE21 GLN 11 1HE2 GLN 11 -12.257 -21.212 0.269
84 HE22 GLN 11 2HE2 GLN 11 -13.128 -20.322 1.466
85 HA PRO 12 HA PRO 12 -5.756 -23.634 -0.882
86 HB2 PRO 12 2HB PRO 12 -3.862 -23.009 0.959
87 HB3 PRO 12 3HB PRO 12 -3.797 -22.445 -0.715
88 HG2 PRO 12 2HG PRO 12 -4.730 -21.001 1.736
89 HG3 PRO 12 3HG PRO 12 -3.723 -20.407 0.402
90 HD2 PRO 12 2HD PRO 12 -6.368 -19.857 0.587
91 HD3 PRO 12 3HD PRO 12 -5.537 -20.040 -0.971
92 H TYR 13 H TYR 13 -6.960 -25.200 0.049
93 HA TYR 13 HA TYR 13 -8.248 -25.203 2.466
94 HB2 TYR 13 2HB TYR 13 -8.434 -26.953 0.681
95 HB3 TYR 13 3HB TYR 13 -6.911 -27.628 1.251
96 HD1 TYR 13 HD1 TYR 13 -9.925 -26.361 3.064
97 HD2 TYR 13 HD2 TYR 13 -7.336 -29.647 2.289
98 HE1 TYR 13 HE1 TYR 13 -11.147 -27.707 4.720
99 HE2 TYR 13 HE2 TYR 13 -8.552 -31.003 3.941
100 HH TYR 13 HH TYR 13 -10.284 -29.985 6.237
Start of MODEL 2
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 1.746 0.825 -1.845
3 HB2 LEU 1 2HB LEU 1 3.895 -0.613 -0.296
4 HB3 LEU 1 3HB LEU 1 4.116 0.119 -1.884
5 HG LEU 1 HG LEU 1 3.306 1.699 0.547
6 HD11 LEU 1 1HD1 LEU 1 6.020 0.917 -0.444
7 HD12 LEU 1 2HD1 LEU 1 5.387 0.904 1.201
8 HD13 LEU 1 3HD1 LEU 1 5.769 2.436 0.416
9 HD21 LEU 1 1HD2 LEU 1 3.910 2.284 -2.277
10 HD22 LEU 1 2HD2 LEU 1 4.627 3.379 -1.094
11 HD23 LEU 1 3HD2 LEU 1 2.879 3.142 -1.132
12 H GLY 2 H GLY 2 1.086 -0.290 -3.552
13 HA2 GLY 2 2HA GLY 2 1.424 -2.152 -5.043
14 HA3 GLY 2 3HA GLY 2 1.635 -3.183 -3.635
15 H GLN 3 H GLN 3 -0.649 -1.625 -5.741
16 HA GLN 3 HA GLN 3 -3.055 -1.880 -4.538
17 HB2 GLN 3 2HB GLN 3 -2.490 -2.786 -7.365
18 HB3 GLN 3 3HB GLN 3 -4.046 -2.274 -6.727
19 HG2 GLN 3 2HG GLN 3 -3.173 -0.028 -6.370
20 HG3 GLN 3 3HG GLN 3 -1.601 -0.537 -6.985
21 HE21 GLN 3 1HE2 GLN 3 -4.932 -1.075 -8.082
22 HE22 GLN 3 2HE2 GLN 3 -4.686 -0.464 -9.679
23 H GLN 4 H GLN 4 -3.858 -3.458 -3.330
24 HA GLN 4 HA GLN 4 -2.998 -6.076 -3.204
25 HB2 GLN 4 2HB GLN 4 -5.312 -6.530 -2.208
26 HB3 GLN 4 3HB GLN 4 -4.317 -5.316 -1.415
27 HG2 GLN 4 2HG GLN 4 -5.696 -3.617 -1.972
28 HG3 GLN 4 3HG GLN 4 -6.158 -4.349 -3.508
29 HE21 GLN 4 1HE2 GLN 4 -8.334 -3.867 -3.089
30 HE22 GLN 4 2HE2 GLN 4 -9.265 -4.798 -1.970
31 H GLN 5 H GLN 5 -3.237 -7.825 -4.434
32 HA GLN 5 HA GLN 5 -4.924 -7.648 -6.799
33 HB2 GLN 5 2HB GLN 5 -2.661 -8.407 -7.155
34 HB3 GLN 5 3HB GLN 5 -2.847 -9.665 -5.940
35 HG2 GLN 5 2HG GLN 5 -4.632 -10.665 -7.389
36 HG3 GLN 5 3HG GLN 5 -4.168 -9.505 -8.634
37 HE21 GLN 5 1HE2 GLN 5 -3.085 -10.551 -10.140
38 HE22 GLN 5 2HE2 GLN 5 -1.810 -11.686 -9.873
39 HA PRO 6 HA PRO 6 -8.172 -10.068 -5.050
40 HB2 PRO 6 2HB PRO 6 -9.391 -10.799 -7.363
41 HB3 PRO 6 3HB PRO 6 -9.507 -9.169 -6.690
42 HG2 PRO 6 2HG PRO 6 -7.738 -10.194 -8.876
43 HG3 PRO 6 3HG PRO 6 -8.654 -8.678 -8.797
44 HD2 PRO 6 2HD PRO 6 -5.998 -8.803 -8.287
45 HD3 PRO 6 3HD PRO 6 -7.072 -7.644 -7.477
46 H PHE 7 H PHE 7 -7.263 -11.879 -4.147
47 HA PHE 7 HA PHE 7 -5.824 -13.886 -5.339
48 HB2 PHE 7 2HB PHE 7 -6.853 -15.381 -3.513
49 HB3 PHE 7 3HB PHE 7 -5.960 -13.955 -2.994
50 HD1 PHE 7 HD1 PHE 7 -9.407 -15.138 -3.726
51 HD2 PHE 7 HD2 PHE 7 -6.942 -12.439 -1.547
52 HE1 PHE 7 HE1 PHE 7 -11.370 -14.384 -2.447
53 HE2 PHE 7 HE2 PHE 7 -8.899 -11.681 -0.264
54 HZ PHE 7 HZ PHE 7 -11.117 -12.654 -0.713
55 HA PRO 8 HA PRO 8 -8.470 -16.214 -7.951
56 HB2 PRO 8 2HB PRO 8 -7.569 -18.742 -7.544
57 HB3 PRO 8 3HB PRO 8 -6.651 -17.528 -8.442
58 HG2 PRO 8 2HG PRO 8 -6.352 -18.406 -5.596
59 HG3 PRO 8 3HG PRO 8 -5.095 -18.083 -6.805
60 HD2 PRO 8 2HD PRO 8 -5.758 -16.297 -4.880
61 HD3 PRO 8 3HD PRO 8 -5.203 -15.802 -6.492
62 HA PRO 9 HA PRO 9 -11.896 -17.965 -5.822
63 HB2 PRO 9 2HB PRO 9 -12.686 -19.956 -7.489
64 HB3 PRO 9 3HB PRO 9 -12.913 -18.243 -7.863
65 HG2 PRO 9 2HG PRO 9 -10.787 -20.124 -8.813
66 HG3 PRO 9 3HG PRO 9 -11.695 -18.908 -9.729
67 HD2 PRO 9 2HD PRO 9 -9.173 -18.479 -8.842
68 HD3 PRO 9 3HD PRO 9 -10.369 -17.175 -8.987
69 H GLN 10 H GLN 10 -12.629 -19.726 -4.565
70 HA GLN 10 HA GLN 10 -12.413 -21.538 -3.208
71 HB2 GLN 10 2HB GLN 10 -12.235 -22.642 -5.513
72 HB3 GLN 10 3HB GLN 10 -10.501 -22.697 -5.225
73 HG2 GLN 10 2HG GLN 10 -11.522 -23.771 -2.921
74 HG3 GLN 10 3HG GLN 10 -12.634 -24.363 -4.153
75 HE21 GLN 10 1HE2 GLN 10 -11.480 -25.202 -6.165
76 HE22 GLN 10 2HE2 GLN 10 -10.116 -26.223 -5.884
77 H GLN 11 H GLN 11 -11.375 -20.756 -1.446
78 HA GLN 11 HA GLN 11 -8.778 -19.844 -1.249
79 HB2 GLN 11 2HB GLN 11 -8.983 -20.531 1.206
80 HB3 GLN 11 3HB GLN 11 -10.189 -19.414 0.581
81 HG2 GLN 11 2HG GLN 11 -11.877 -20.916 0.750
82 HG3 GLN 11 3HG GLN 11 -10.826 -22.299 0.455
83 HE21 GLN 11 1HE2 GLN 11 -12.496 -20.530 2.761
84 HE22 GLN 11 2HE2 GLN 11 -11.817 -21.247 4.179
85 HA PRO 12 HA PRO 12 -6.089 -23.304 -1.458
86 HB2 PRO 12 2HB PRO 12 -4.165 -22.605 0.325
87 HB3 PRO 12 3HB PRO 12 -4.347 -21.820 -1.248
88 HG2 PRO 12 2HG PRO 12 -5.279 -20.905 1.446
89 HG3 PRO 12 3HG PRO 12 -4.510 -19.969 0.151
90 HD2 PRO 12 2HD PRO 12 -7.182 -19.926 0.590
91 HD3 PRO 12 3HD PRO 12 -6.477 -19.749 -1.030
92 H TYR 13 H TYR 13 -5.953 -25.294 -0.588
93 HA TYR 13 HA TYR 13 -6.462 -27.033 0.801
94 HB2 TYR 13 2HB TYR 13 -4.506 -26.790 1.956
95 HB3 TYR 13 3HB TYR 13 -4.840 -25.116 2.384
96 HD1 TYR 13 HD1 TYR 13 -5.765 -28.619 3.211
97 HD2 TYR 13 HD2 TYR 13 -5.657 -24.570 4.513
98 HE1 TYR 13 HE1 TYR 13 -6.419 -29.335 5.471
99 HE2 TYR 13 HE2 TYR 13 -6.310 -25.275 6.777
100 HH TYR 13 HH TYR 13 -7.715 -27.619 7.640
Start of MODEL 3
1 H1 LEU 1 H LEU 1 3.904 -2.075 -5.228
2 HA LEU 1 HA LEU 1 1.516 -0.685 -5.997
3 HB2 LEU 1 2HB LEU 1 2.331 -3.539 -5.718
4 HB3 LEU 1 3HB LEU 1 0.616 -3.145 -5.819
5 HG LEU 1 HG LEU 1 1.657 -1.775 -7.953
6 HD11 LEU 1 1HD1 LEU 1 2.993 -3.585 -9.129
7 HD12 LEU 1 2HD1 LEU 1 3.232 -4.298 -7.535
8 HD13 LEU 1 3HD1 LEU 1 3.827 -2.673 -7.871
9 HD21 LEU 1 1HD2 LEU 1 0.379 -4.474 -7.673
10 HD22 LEU 1 2HD2 LEU 1 0.781 -3.806 -9.255
11 HD23 LEU 1 3HD2 LEU 1 -0.343 -2.953 -8.196
12 H GLY 2 H GLY 2 0.664 0.472 -4.320
13 HA2 GLY 2 2HA GLY 2 0.439 -0.550 -1.664
14 HA3 GLY 2 3HA GLY 2 -0.333 0.900 -2.288
15 H GLN 3 H GLN 3 -1.939 -0.053 -4.266
16 HA GLN 3 HA GLN 3 -4.261 -0.751 -3.073
17 HB2 GLN 3 2HB GLN 3 -3.382 -1.792 -5.770
18 HB3 GLN 3 3HB GLN 3 -5.040 -1.607 -5.215
19 HG2 GLN 3 2HG GLN 3 -4.745 0.808 -5.107
20 HG3 GLN 3 3HG GLN 3 -3.073 0.632 -5.638
21 HE21 GLN 3 1HE2 GLN 3 -5.239 2.106 -6.879
22 HE22 GLN 3 2HE2 GLN 3 -5.428 1.452 -8.466
23 H GLN 4 H GLN 4 -4.852 -2.375 -1.812
24 HA GLN 4 HA GLN 4 -3.379 -4.639 -1.255
25 HB2 GLN 4 2HB GLN 4 -5.611 -5.591 -0.439
26 HB3 GLN 4 3HB GLN 4 -5.068 -4.081 0.279
27 HG2 GLN 4 2HG GLN 4 -6.649 -2.821 -0.873
28 HG3 GLN 4 3HG GLN 4 -6.935 -4.095 -2.058
29 HE21 GLN 4 1HE2 GLN 4 -9.190 -3.526 -1.442
30 HE22 GLN 4 2HE2 GLN 4 -9.893 -4.377 -0.112
31 H GLN 5 H GLN 5 -3.086 -6.574 -2.177
32 HA GLN 5 HA GLN 5 -4.118 -7.035 -4.814
33 HB2 GLN 5 2HB GLN 5 -1.850 -7.697 -4.322
34 HB3 GLN 5 3HB GLN 5 -2.391 -8.721 -2.998
35 HG2 GLN 5 2HG GLN 5 -3.641 -10.083 -4.690
36 HG3 GLN 5 3HG GLN 5 -2.826 -9.144 -5.940
37 HE21 GLN 5 1HE2 GLN 5 -1.079 -10.047 -6.734
38 HE22 GLN 5 2HE2 GLN 5 -0.037 -11.156 -5.916
39 HA PRO 6 HA PRO 6 -7.731 -9.298 -3.680
40 HB2 PRO 6 2HB PRO 6 -8.180 -10.519 -6.062
41 HB3 PRO 6 3HB PRO 6 -8.506 -8.804 -5.785
42 HG2 PRO 6 2HG PRO 6 -6.147 -10.096 -7.099
43 HG3 PRO 6 3HG PRO 6 -7.052 -8.654 -7.594
44 HD2 PRO 6 2HD PRO 6 -4.678 -8.511 -6.299
45 HD3 PRO 6 3HD PRO 6 -5.955 -7.295 -6.090
46 H PHE 7 H PHE 7 -8.205 -11.280 -2.876
47 HA PHE 7 HA PHE 7 -6.277 -13.141 -2.295
48 HB2 PHE 7 2HB PHE 7 -8.259 -14.764 -2.039
49 HB3 PHE 7 3HB PHE 7 -8.274 -13.296 -1.067
50 HD1 PHE 7 HD1 PHE 7 -10.066 -11.811 -1.181
51 HD2 PHE 7 HD2 PHE 7 -9.605 -14.785 -4.191
52 HE1 PHE 7 HE1 PHE 7 -12.280 -11.235 -2.084
53 HE2 PHE 7 HE2 PHE 7 -11.818 -14.212 -5.100
54 HZ PHE 7 HZ PHE 7 -13.159 -12.435 -4.047
55 HA PRO 8 HA PRO 8 -5.477 -15.564 -5.864
56 HB2 PRO 8 2HB PRO 8 -5.131 -18.034 -4.792
57 HB3 PRO 8 3HB PRO 8 -3.954 -16.729 -4.599
58 HG2 PRO 8 2HG PRO 8 -6.062 -17.676 -2.696
59 HG3 PRO 8 3HG PRO 8 -4.379 -17.226 -2.367
60 HD2 PRO 8 2HD PRO 8 -6.454 -15.555 -1.884
61 HD3 PRO 8 3HD PRO 8 -4.849 -14.970 -2.368
62 HA PRO 9 HA PRO 9 -9.051 -17.621 -7.391
63 HB2 PRO 9 2HB PRO 9 -7.997 -19.608 -8.912
64 HB3 PRO 9 3HB PRO 9 -7.933 -17.904 -9.379
65 HG2 PRO 9 2HG PRO 9 -5.822 -19.599 -8.101
66 HG3 PRO 9 3HG PRO 9 -5.666 -18.420 -9.417
67 HD2 PRO 9 2HD PRO 9 -4.993 -17.844 -6.859
68 HD3 PRO 9 3HD PRO 9 -5.640 -16.623 -7.974
69 H GLN 10 H GLN 10 -9.946 -18.467 -5.476
70 HA GLN 10 HA GLN 10 -10.742 -20.095 -4.102
71 HB2 GLN 10 2HB GLN 10 -10.388 -21.307 -6.641
72 HB3 GLN 10 3HB GLN 10 -9.853 -22.468 -5.433
73 HG2 GLN 10 2HG GLN 10 -11.929 -22.853 -4.705
74 HG3 GLN 10 3HG GLN 10 -12.378 -21.150 -4.780
75 HE21 GLN 10 1HE2 GLN 10 -13.187 -24.045 -5.923
76 HE22 GLN 10 2HE2 GLN 10 -13.817 -23.616 -7.474
77 H GLN 11 H GLN 11 -9.486 -19.870 -2.311
78 HA GLN 11 HA GLN 11 -6.810 -20.476 -2.005
79 HB2 GLN 11 2HB GLN 11 -7.423 -20.824 0.454
80 HB3 GLN 11 3HB GLN 11 -7.825 -19.269 -0.262
81 HG2 GLN 11 2HG GLN 11 -10.010 -19.555 0.059
82 HG3 GLN 11 3HG GLN 11 -9.966 -21.228 -0.495
83 HE21 GLN 11 1HE2 GLN 11 -9.883 -22.852 0.968
84 HE22 GLN 11 2HE2 GLN 11 -9.925 -22.616 2.679
85 HA PRO 12 HA PRO 12 -6.390 -24.843 -1.984
86 HB2 PRO 12 2HB PRO 12 -4.444 -25.193 -0.123
87 HB3 PRO 12 3HB PRO 12 -4.131 -24.511 -1.724
88 HG2 PRO 12 2HG PRO 12 -4.506 -23.107 0.893
89 HG3 PRO 12 3HG PRO 12 -3.317 -22.793 -0.385
90 HD2 PRO 12 2HD PRO 12 -5.561 -21.307 -0.084
91 HD3 PRO 12 3HD PRO 12 -4.825 -21.615 -1.670
92 H TYR 13 H TYR 13 -7.046 -26.692 -0.919
93 HA TYR 13 HA TYR 13 -8.397 -27.880 0.488
94 HB2 TYR 13 2HB TYR 13 -6.672 -28.288 1.929
95 HB3 TYR 13 3HB TYR 13 -6.330 -26.579 2.176
96 HD1 TYR 13 HD1 TYR 13 -7.280 -25.386 4.003
97 HD2 TYR 13 HD2 TYR 13 -8.533 -29.368 3.181
98 HE1 TYR 13 HE1 TYR 13 -8.437 -25.463 6.172
99 HE2 TYR 13 HE2 TYR 13 -9.695 -29.455 5.347
100 HH TYR 13 HH TYR 13 -10.659 -27.886 6.984
Start of MODEL 4
1 H1 LEU 1 H LEU 1 4.077 -0.061 -0.250
2 HA LEU 1 HA LEU 1 1.810 0.994 -1.182
3 HB2 LEU 1 2HB LEU 1 3.082 2.890 -2.066
4 HB3 LEU 1 3HB LEU 1 4.007 1.791 -3.087
5 HG LEU 1 HG LEU 1 1.950 1.239 -4.323
6 HD11 LEU 1 1HD1 LEU 1 0.727 2.610 -2.115
7 HD12 LEU 1 2HD1 LEU 1 -0.017 1.633 -3.379
8 HD13 LEU 1 3HD1 LEU 1 0.254 3.355 -3.642
9 HD21 LEU 1 1HD2 LEU 1 3.115 2.851 -5.457
10 HD22 LEU 1 2HD2 LEU 1 2.994 4.023 -4.144
11 HD23 LEU 1 3HD2 LEU 1 1.596 3.701 -5.173
12 H GLY 2 H GLY 2 0.723 -0.523 -2.311
13 HA2 GLY 2 2HA GLY 2 1.715 -2.142 -4.347
14 HA3 GLY 2 3HA GLY 2 1.954 -3.017 -2.842
15 H GLN 3 H GLN 3 -0.456 -1.563 -4.956
16 HA GLN 3 HA GLN 3 -2.809 -2.045 -3.719
17 HB2 GLN 3 2HB GLN 3 -2.255 -2.753 -6.604
18 HB3 GLN 3 3HB GLN 3 -3.826 -2.383 -5.905
19 HG2 GLN 3 2HG GLN 3 -3.095 -0.107 -5.441
20 HG3 GLN 3 3HG GLN 3 -1.508 -0.475 -6.116
21 HE21 GLN 3 1HE2 GLN 3 -4.077 1.212 -6.795
22 HE22 GLN 3 2HE2 GLN 3 -4.201 1.001 -8.505
23 H GLN 4 H GLN 4 -3.412 -3.741 -2.547
24 HA GLN 4 HA GLN 4 -2.395 -6.302 -2.637
25 HB2 GLN 4 2HB GLN 4 -4.613 -6.959 -1.542
26 HB3 GLN 4 3HB GLN 4 -3.644 -5.735 -0.731
27 HG2 GLN 4 2HG GLN 4 -5.549 -4.617 -2.626
28 HG3 GLN 4 3HG GLN 4 -6.309 -5.544 -1.333
29 HE21 GLN 4 1HE2 GLN 4 -5.455 -5.027 0.891
30 HE22 GLN 4 2HE2 GLN 4 -5.189 -3.359 1.252
31 H GLN 5 H GLN 5 -2.571 -7.953 -4.000
32 HA GLN 5 HA GLN 5 -4.326 -7.739 -6.286
33 HB2 GLN 5 2HB GLN 5 -2.077 -8.528 -6.664
34 HB3 GLN 5 3HB GLN 5 -2.285 -9.816 -5.485
35 HG2 GLN 5 2HG GLN 5 -4.088 -10.742 -6.959
36 HG3 GLN 5 3HG GLN 5 -3.604 -9.557 -8.171
37 HE21 GLN 5 1HE2 GLN 5 -2.978 -12.589 -6.782
38 HE22 GLN 5 2HE2 GLN 5 -1.555 -12.976 -7.682
39 HA PRO 6 HA PRO 6 -7.616 -10.145 -4.600
40 HB2 PRO 6 2HB PRO 6 -8.850 -10.790 -6.930
41 HB3 PRO 6 3HB PRO 6 -8.935 -9.178 -6.212
42 HG2 PRO 6 2HG PRO 6 -7.187 -10.174 -8.428
43 HG3 PRO 6 3HG PRO 6 -8.075 -8.644 -8.306
44 HD2 PRO 6 2HD PRO 6 -5.421 -8.832 -7.803
45 HD3 PRO 6 3HD PRO 6 -6.473 -7.677 -6.960
46 H PHE 7 H PHE 7 -6.949 -12.045 -3.748
47 HA PHE 7 HA PHE 7 -5.442 -14.031 -4.892
48 HB2 PHE 7 2HB PHE 7 -6.692 -15.586 -3.265
49 HB3 PHE 7 3HB PHE 7 -5.824 -14.216 -2.581
50 HD1 PHE 7 HD1 PHE 7 -6.920 -12.694 -1.211
51 HD2 PHE 7 HD2 PHE 7 -9.198 -15.312 -3.677
52 HE1 PHE 7 HE1 PHE 7 -8.982 -11.945 -0.097
53 HE2 PHE 7 HE2 PHE 7 -11.263 -14.566 -2.567
54 HZ PHE 7 HZ PHE 7 -11.157 -12.880 -0.775
55 HA PRO 8 HA PRO 8 -7.856 -16.142 -7.885
56 HB2 PRO 8 2HB PRO 8 -7.063 -18.714 -7.524
57 HB3 PRO 8 3HB PRO 8 -6.027 -17.483 -8.256
58 HG2 PRO 8 2HG PRO 8 -6.049 -18.514 -5.446
59 HG3 PRO 8 3HG PRO 8 -4.665 -18.167 -6.500
60 HD2 PRO 8 2HD PRO 8 -5.482 -16.463 -4.560
61 HD3 PRO 8 3HD PRO 8 -4.751 -15.902 -6.077
62 HA PRO 9 HA PRO 9 -11.527 -17.898 -6.218
63 HB2 PRO 9 2HB PRO 9 -12.186 -19.777 -8.063
64 HB3 PRO 9 3HB PRO 9 -12.331 -18.042 -8.365
65 HG2 PRO 9 2HG PRO 9 -10.163 -19.934 -9.191
66 HG3 PRO 9 3HG PRO 9 -10.941 -18.646 -10.129
67 HD2 PRO 9 2HD PRO 9 -8.516 -18.338 -8.964
68 HD3 PRO 9 3HD PRO 9 -9.659 -16.993 -9.161
69 H GLN 10 H GLN 10 -12.394 -19.660 -5.084
70 HA GLN 10 HA GLN 10 -12.365 -21.544 -3.811
71 HB2 GLN 10 2HB GLN 10 -12.088 -22.589 -6.100
72 HB3 GLN 10 3HB GLN 10 -10.360 -22.645 -5.778
73 HG2 GLN 10 2HG GLN 10 -10.718 -24.648 -4.900
74 HG3 GLN 10 3HG GLN 10 -11.463 -23.810 -3.539
75 HE21 GLN 10 1HE2 GLN 10 -13.815 -23.257 -3.887
76 HE22 GLN 10 2HE2 GLN 10 -14.798 -24.478 -4.614
77 H GLN 11 H GLN 11 -11.445 -20.829 -1.947
78 HA GLN 11 HA GLN 11 -8.831 -20.066 -1.505
79 HB2 GLN 11 2HB GLN 11 -9.262 -20.281 0.813
80 HB3 GLN 11 3HB GLN 11 -10.804 -19.867 0.076
81 HG2 GLN 11 2HG GLN 11 -11.256 -22.383 0.047
82 HG3 GLN 11 3HG GLN 11 -9.898 -22.504 1.166
83 HE21 GLN 11 1HE2 GLN 11 -12.108 -23.419 2.162
84 HE22 GLN 11 2HE2 GLN 11 -12.857 -22.319 3.262
85 HA PRO 12 HA PRO 12 -6.336 -23.674 -1.634
86 HB2 PRO 12 2HB PRO 12 -4.460 -23.073 0.234
87 HB3 PRO 12 3HB PRO 12 -4.529 -22.285 -1.347
88 HG2 PRO 12 2HG PRO 12 -5.532 -21.311 1.300
89 HG3 PRO 12 3HG PRO 12 -4.656 -20.423 0.040
90 HD2 PRO 12 2HD PRO 12 -7.338 -20.235 0.357
91 HD3 PRO 12 3HD PRO 12 -6.553 -20.102 -1.229
92 H TYR 13 H TYR 13 -6.295 -25.664 -0.739
93 HA TYR 13 HA TYR 13 -6.949 -27.373 0.628
94 HB2 TYR 13 2HB TYR 13 -5.061 -27.186 1.901
95 HB3 TYR 13 3HB TYR 13 -5.364 -25.498 2.296
96 HD1 TYR 13 HD1 TYR 13 -6.137 -28.980 3.198
97 HD2 TYR 13 HD2 TYR 13 -6.612 -24.887 4.255
98 HE1 TYR 13 HE1 TYR 13 -6.953 -29.655 5.418
99 HE2 TYR 13 HE2 TYR 13 -7.428 -25.549 6.479
100 HH TYR 13 HH TYR 13 -8.251 -27.319 7.685
Start of MODEL 5
1 H1 LEU 1 H LEU 1 3.910 -1.571 -2.552
2 HA LEU 1 HA LEU 1 2.316 -1.099 -4.918
3 HB2 LEU 1 2HB LEU 1 2.893 -3.427 -5.219
4 HB3 LEU 1 3HB LEU 1 2.381 -3.796 -3.574
5 HG LEU 1 HG LEU 1 0.051 -3.077 -4.303
6 HD11 LEU 1 1HD1 LEU 1 0.004 -2.052 -6.292
7 HD12 LEU 1 2HD1 LEU 1 0.048 -3.685 -6.956
8 HD13 LEU 1 3HD1 LEU 1 1.539 -2.756 -6.804
9 HD21 LEU 1 1HD2 LEU 1 0.781 -5.419 -3.961
10 HD22 LEU 1 2HD2 LEU 1 1.232 -5.495 -5.664
11 HD23 LEU 1 3HD2 LEU 1 -0.454 -5.249 -5.207
12 H GLY 2 H GLY 2 0.285 -0.404 -4.435
13 HA2 GLY 2 2HA GLY 2 -0.334 -0.151 -1.573
14 HA3 GLY 2 3HA GLY 2 -0.989 0.856 -2.856
15 H GLN 3 H GLN 3 -2.551 -0.126 -4.323
16 HA GLN 3 HA GLN 3 -4.726 -1.215 -3.146
17 HB2 GLN 3 2HB GLN 3 -3.816 -1.898 -5.946
18 HB3 GLN 3 3HB GLN 3 -5.464 -1.974 -5.339
19 HG2 GLN 3 2HG GLN 3 -5.469 0.441 -5.020
20 HG3 GLN 3 3HG GLN 3 -3.807 0.525 -5.603
21 HE21 GLN 3 1HE2 GLN 3 -3.385 0.196 -7.790
22 HE22 GLN 3 2HE2 GLN 3 -4.628 0.291 -8.986
23 H GLN 4 H GLN 4 -5.122 -3.024 -2.074
24 HA GLN 4 HA GLN 4 -3.357 -5.110 -1.704
25 HB2 GLN 4 2HB GLN 4 -5.440 -6.427 -1.012
26 HB3 GLN 4 3HB GLN 4 -5.109 -4.930 -0.151
27 HG2 GLN 4 2HG GLN 4 -6.999 -3.975 -0.844
28 HG3 GLN 4 3HG GLN 4 -6.806 -4.570 -2.493
29 HE21 GLN 4 1HE2 GLN 4 -9.127 -4.885 -2.368
30 HE22 GLN 4 2HE2 GLN 4 -9.744 -6.335 -1.659
31 H GLN 5 H GLN 5 -2.888 -6.985 -2.719
32 HA GLN 5 HA GLN 5 -3.609 -7.286 -5.449
33 HB2 GLN 5 2HB GLN 5 -1.441 -8.027 -4.694
34 HB3 GLN 5 3HB GLN 5 -2.173 -9.138 -3.544
35 HG2 GLN 5 2HG GLN 5 -3.181 -10.343 -5.497
36 HG3 GLN 5 3HG GLN 5 -2.188 -9.328 -6.542
37 HE21 GLN 5 1HE2 GLN 5 -0.664 -10.613 -7.321
38 HE22 GLN 5 2HE2 GLN 5 0.362 -11.641 -6.386
39 HA PRO 6 HA PRO 6 -7.366 -9.557 -5.018
40 HB2 PRO 6 2HB PRO 6 -7.481 -10.585 -7.528
41 HB3 PRO 6 3HB PRO 6 -7.828 -8.890 -7.167
42 HG2 PRO 6 2HG PRO 6 -5.317 -10.124 -8.231
43 HG3 PRO 6 3HG PRO 6 -6.130 -8.631 -8.735
44 HD2 PRO 6 2HD PRO 6 -3.964 -8.633 -7.109
45 HD3 PRO 6 3HD PRO 6 -5.248 -7.412 -6.989
46 H PHE 7 H PHE 7 -7.176 -11.281 -3.685
47 HA PHE 7 HA PHE 7 -5.376 -13.349 -3.759
48 HB2 PHE 7 2HB PHE 7 -7.243 -14.699 -2.612
49 HB3 PHE 7 3HB PHE 7 -6.719 -13.208 -1.836
50 HD1 PHE 7 HD1 PHE 7 -9.362 -14.710 -3.934
51 HD2 PHE 7 HD2 PHE 7 -8.216 -11.430 -1.475
52 HE1 PHE 7 HE1 PHE 7 -11.684 -13.897 -3.944
53 HE2 PHE 7 HE2 PHE 7 -10.536 -10.612 -1.480
54 HZ PHE 7 HZ PHE 7 -12.274 -11.846 -2.714
55 HA PRO 8 HA PRO 8 -6.323 -15.975 -7.143
56 HB2 PRO 8 2HB PRO 8 -5.829 -18.430 -6.096
57 HB3 PRO 8 3HB PRO 8 -4.548 -17.278 -6.489
58 HG2 PRO 8 2HG PRO 8 -5.801 -17.885 -3.839
59 HG3 PRO 8 3HG PRO 8 -4.091 -17.640 -4.238
60 HD2 PRO 8 2HD PRO 8 -5.618 -15.706 -3.115
61 HD3 PRO 8 3HD PRO 8 -4.291 -15.344 -4.238
62 HA PRO 9 HA PRO 9 -10.398 -17.618 -6.967
63 HB2 PRO 9 2HB PRO 9 -10.249 -19.773 -8.611
64 HB3 PRO 9 3HB PRO 9 -10.205 -18.109 -9.203
65 HG2 PRO 9 2HG PRO 9 -7.942 -20.010 -8.725
66 HG3 PRO 9 3HG PRO 9 -8.208 -18.907 -10.088
67 HD2 PRO 9 2HD PRO 9 -6.512 -18.331 -8.058
68 HD3 PRO 9 3HD PRO 9 -7.424 -17.078 -8.925
69 H GLN 10 H GLN 10 -10.925 -18.400 -4.987
70 HA GLN 10 HA GLN 10 -11.351 -19.895 -3.326
71 HB2 GLN 10 2HB GLN 10 -11.640 -21.306 -5.712
72 HB3 GLN 10 3HB GLN 10 -10.627 -22.340 -4.714
73 HG2 GLN 10 2HG GLN 10 -12.880 -22.971 -4.344
74 HG3 GLN 10 3HG GLN 10 -12.325 -22.125 -2.901
75 HE21 GLN 10 1HE2 GLN 10 -14.050 -21.612 -5.945
76 HE22 GLN 10 2HE2 GLN 10 -15.129 -20.409 -5.335
77 H GLN 11 H GLN 11 -9.776 -19.514 -1.854
78 HA GLN 11 HA GLN 11 -7.068 -19.994 -2.074
79 HB2 GLN 11 2HB GLN 11 -6.931 -19.743 0.276
80 HB3 GLN 11 3HB GLN 11 -8.288 -18.747 -0.233
81 HG2 GLN 11 2HG GLN 11 -9.802 -20.627 0.402
82 HG3 GLN 11 3HG GLN 11 -8.399 -21.447 1.083
83 HE21 GLN 11 1HE2 GLN 11 -9.747 -21.340 3.038
84 HE22 GLN 11 2HE2 GLN 11 -9.650 -19.925 4.024
85 HA PRO 12 HA PRO 12 -6.452 -24.336 -1.899
86 HB2 PRO 12 2HB PRO 12 -4.083 -24.470 -0.580
87 HB3 PRO 12 3HB PRO 12 -4.222 -23.910 -2.251
88 HG2 PRO 12 2HG PRO 12 -3.996 -22.312 0.271
89 HG3 PRO 12 3HG PRO 12 -3.188 -22.063 -1.288
90 HD2 PRO 12 2HD PRO 12 -5.357 -20.633 -0.526
91 HD3 PRO 12 3HD PRO 12 -5.031 -21.043 -2.223
92 H TYR 13 H TYR 13 -8.283 -24.703 -0.460
93 HA TYR 13 HA TYR 13 -9.299 -25.406 1.460
94 HB2 TYR 13 2HB TYR 13 -8.303 -27.458 1.331
95 HB3 TYR 13 3HB TYR 13 -6.676 -26.789 1.319
96 HD1 TYR 13 HD1 TYR 13 -5.453 -26.468 3.357
97 HD2 TYR 13 HD2 TYR 13 -9.491 -27.802 3.464
98 HE1 TYR 13 HE1 TYR 13 -5.189 -27.057 5.731
99 HE2 TYR 13 HE2 TYR 13 -9.239 -28.394 5.838
100 HH TYR 13 HH TYR 13 -6.811 -27.309 7.756
Start of MODEL 6
1 H1 LEU 1 H LEU 1 4.090 1.802 -0.195
2 HA LEU 1 HA LEU 1 1.596 1.199 -1.164
3 HB2 LEU 1 2HB LEU 1 3.927 2.597 -2.106
4 HB3 LEU 1 3HB LEU 1 3.146 1.743 -3.436
5 HG LEU 1 HG LEU 1 2.389 4.066 -3.254
6 HD11 LEU 1 1HD1 LEU 1 0.017 2.501 -2.406
7 HD12 LEU 1 2HD1 LEU 1 0.895 1.959 -3.836
8 HD13 LEU 1 3HD1 LEU 1 0.228 3.591 -3.777
9 HD21 LEU 1 1HD2 LEU 1 2.671 4.248 -0.793
10 HD22 LEU 1 2HD2 LEU 1 1.223 3.260 -0.593
11 HD23 LEU 1 3HD2 LEU 1 1.113 4.839 -1.373
12 H GLY 2 H GLY 2 0.737 -0.199 -2.680
13 HA2 GLY 2 2HA GLY 2 1.841 -1.836 -4.498
14 HA3 GLY 2 3HA GLY 2 2.186 -2.693 -3.003
15 H GLN 3 H GLN 3 -0.431 -1.369 -4.977
16 HA GLN 3 HA GLN 3 -2.670 -2.180 -3.699
17 HB2 GLN 3 2HB GLN 3 -2.174 -2.610 -6.649
18 HB3 GLN 3 3HB GLN 3 -3.742 -2.456 -5.868
19 HG2 GLN 3 2HG GLN 3 -3.221 -0.159 -5.251
20 HG3 GLN 3 3HG GLN 3 -1.636 -0.310 -6.010
21 HE21 GLN 3 1HE2 GLN 3 -4.616 0.903 -6.437
22 HE22 GLN 3 2HE2 GLN 3 -4.704 0.906 -8.163
23 H GLN 4 H GLN 4 -3.137 -4.013 -2.692
24 HA GLN 4 HA GLN 4 -1.852 -6.439 -2.954
25 HB2 GLN 4 2HB GLN 4 -3.994 -7.405 -1.940
26 HB3 GLN 4 3HB GLN 4 -3.166 -6.149 -1.029
27 HG2 GLN 4 2HG GLN 4 -4.780 -4.556 -1.510
28 HG3 GLN 4 3HG GLN 4 -5.395 -5.456 -2.895
29 HE21 GLN 4 1HE2 GLN 4 -6.186 -7.738 -2.221
30 HE22 GLN 4 2HE2 GLN 4 -7.236 -7.769 -0.850
31 H GLN 5 H GLN 5 -2.548 -8.476 -3.844
32 HA GLN 5 HA GLN 5 -3.868 -8.121 -6.435
33 HB2 GLN 5 2HB GLN 5 -1.669 -9.104 -6.567
34 HB3 GLN 5 3HB GLN 5 -2.094 -10.322 -5.373
35 HG2 GLN 5 2HG GLN 5 -3.823 -11.159 -6.984
36 HG3 GLN 5 3HG GLN 5 -3.128 -10.067 -8.182
37 HE21 GLN 5 1HE2 GLN 5 -3.130 -12.561 -8.926
38 HE22 GLN 5 2HE2 GLN 5 -1.575 -13.299 -8.783
39 HA PRO 6 HA PRO 6 -7.494 -10.184 -5.003
40 HB2 PRO 6 2HB PRO 6 -8.552 -10.821 -7.421
41 HB3 PRO 6 3HB PRO 6 -8.569 -9.179 -6.767
42 HG2 PRO 6 2HG PRO 6 -6.709 -10.402 -8.768
43 HG3 PRO 6 3HG PRO 6 -7.472 -8.801 -8.782
44 HD2 PRO 6 2HD PRO 6 -4.903 -9.183 -8.016
45 HD3 PRO 6 3HD PRO 6 -5.929 -7.913 -7.318
46 H PHE 7 H PHE 7 -6.856 -12.064 -4.010
47 HA PHE 7 HA PHE 7 -5.519 -14.220 -5.052
48 HB2 PHE 7 2HB PHE 7 -6.858 -15.581 -3.327
49 HB3 PHE 7 3HB PHE 7 -5.881 -14.244 -2.731
50 HD1 PHE 7 HD1 PHE 7 -9.342 -14.849 -3.990
51 HD2 PHE 7 HD2 PHE 7 -6.840 -12.860 -1.179
52 HE1 PHE 7 HE1 PHE 7 -11.331 -13.887 -2.905
53 HE2 PHE 7 HE2 PHE 7 -8.824 -11.896 -0.090
54 HZ PHE 7 HZ PHE 7 -11.073 -12.409 -0.952
55 HA PRO 8 HA PRO 8 -8.128 -16.308 -7.895
56 HB2 PRO 8 2HB PRO 8 -7.525 -18.907 -7.395
57 HB3 PRO 8 3HB PRO 8 -6.410 -17.802 -8.207
58 HG2 PRO 8 2HG PRO 8 -6.468 -18.668 -5.341
59 HG3 PRO 8 3HG PRO 8 -5.078 -18.487 -6.428
60 HD2 PRO 8 2HD PRO 8 -5.737 -16.619 -4.581
61 HD3 PRO 8 3HD PRO 8 -4.987 -16.202 -6.135
62 HA PRO 9 HA PRO 9 -11.895 -17.683 -6.093
63 HB2 PRO 9 2HB PRO 9 -12.720 -19.608 -7.820
64 HB3 PRO 9 3HB PRO 9 -12.739 -17.887 -8.220
65 HG2 PRO 9 2HG PRO 9 -10.731 -19.981 -8.957
66 HG3 PRO 9 3HG PRO 9 -11.424 -18.693 -9.960
67 HD2 PRO 9 2HD PRO 9 -8.966 -18.505 -8.839
68 HD3 PRO 9 3HD PRO 9 -10.007 -17.091 -9.102
69 H GLN 10 H GLN 10 -12.602 -19.084 -4.568
70 HA GLN 10 HA GLN 10 -12.631 -20.830 -3.111
71 HB2 GLN 10 2HB GLN 10 -12.533 -21.962 -5.673
72 HB3 GLN 10 3HB GLN 10 -11.339 -22.847 -4.733
73 HG2 GLN 10 2HG GLN 10 -13.993 -22.407 -3.497
74 HG3 GLN 10 3HG GLN 10 -13.892 -23.553 -4.832
75 HE21 GLN 10 1HE2 GLN 10 -13.932 -23.399 -1.625
76 HE22 GLN 10 2HE2 GLN 10 -12.954 -24.764 -1.221
77 H GLN 11 H GLN 11 -11.189 -20.251 -1.567
78 HA GLN 11 HA GLN 11 -8.447 -20.022 -1.778
79 HB2 GLN 11 2HB GLN 11 -8.362 -20.025 0.587
80 HB3 GLN 11 3HB GLN 11 -9.925 -19.338 0.166
81 HG2 GLN 11 2HG GLN 11 -10.659 -21.883 0.411
82 HG3 GLN 11 3HG GLN 11 -9.268 -21.896 1.494
83 HE21 GLN 11 1HE2 GLN 11 -12.122 -19.918 0.763
84 HE22 GLN 11 2HE2 GLN 11 -12.503 -19.554 2.408
85 HA PRO 12 HA PRO 12 -6.782 -24.070 -2.096
86 HB2 PRO 12 2HB PRO 12 -4.445 -23.776 -0.747
87 HB3 PRO 12 3HB PRO 12 -4.727 -23.072 -2.343
88 HG2 PRO 12 2HG PRO 12 -4.885 -21.778 0.352
89 HG3 PRO 12 3HG PRO 12 -4.173 -21.156 -1.148
90 HD2 PRO 12 2HD PRO 12 -6.623 -20.401 -0.277
91 HD3 PRO 12 3HD PRO 12 -6.216 -20.515 -2.001
92 H TYR 13 H TYR 13 -6.944 -25.973 -1.047
93 HA TYR 13 HA TYR 13 -7.580 -27.434 0.589
94 HB2 TYR 13 2HB TYR 13 -5.444 -27.605 1.380
95 HB3 TYR 13 3HB TYR 13 -5.297 -25.876 1.670
96 HD1 TYR 13 HD1 TYR 13 -6.448 -29.072 3.060
97 HD2 TYR 13 HD2 TYR 13 -5.957 -24.908 3.784
98 HE1 TYR 13 HE1 TYR 13 -6.825 -29.451 5.461
99 HE2 TYR 13 HE2 TYR 13 -6.331 -25.275 6.187
100 HH TYR 13 HH TYR 13 -6.217 -27.037 7.820
Start of MODEL 7
1 H1 LEU 1 H LEU 1 0.915 2.897 -1.199
2 HA LEU 1 HA LEU 1 0.603 2.598 -3.474
3 HB2 LEU 1 2HB LEU 1 2.899 2.538 -4.599
4 HB3 LEU 1 3HB LEU 1 2.527 3.896 -3.538
5 HG LEU 1 HG LEU 1 3.896 1.670 -2.208
6 HD11 LEU 1 1HD1 LEU 1 6.046 2.903 -3.371
7 HD12 LEU 1 2HD1 LEU 1 4.924 2.738 -4.720
8 HD13 LEU 1 3HD1 LEU 1 5.416 1.314 -3.804
9 HD21 LEU 1 1HD2 LEU 1 3.364 4.118 -1.463
10 HD22 LEU 1 2HD2 LEU 1 4.840 4.497 -2.352
11 HD23 LEU 1 3HD2 LEU 1 4.889 3.359 -1.005
12 H GLY 2 H GLY 2 0.309 1.135 -5.110
13 HA2 GLY 2 2HA GLY 2 0.821 -0.874 -6.295
14 HA3 GLY 2 3HA GLY 2 1.574 -1.503 -4.838
15 H GLN 3 H GLN 3 -1.546 -0.639 -6.266
16 HA GLN 3 HA GLN 3 -3.339 -1.492 -4.433
17 HB2 GLN 3 2HB GLN 3 -3.476 -2.200 -7.368
18 HB3 GLN 3 3HB GLN 3 -4.836 -2.094 -6.257
19 HG2 GLN 3 2HG GLN 3 -4.439 0.293 -5.983
20 HG3 GLN 3 3HG GLN 3 -3.060 0.194 -7.076
21 HE21 GLN 3 1HE2 GLN 3 -6.373 -1.077 -7.149
22 HE22 GLN 3 2HE2 GLN 3 -6.769 -0.430 -8.701
23 H GLN 4 H GLN 4 -3.258 -3.220 -3.159
24 HA GLN 4 HA GLN 4 -1.853 -5.558 -3.569
25 HB2 GLN 4 2HB GLN 4 -3.513 -6.560 -1.898
26 HB3 GLN 4 3HB GLN 4 -2.598 -5.151 -1.379
27 HG2 GLN 4 2HG GLN 4 -4.433 -3.761 -1.456
28 HG3 GLN 4 3HG GLN 4 -5.299 -4.794 -2.592
29 HE21 GLN 4 1HE2 GLN 4 -6.812 -6.083 -1.807
30 HE22 GLN 4 2HE2 GLN 4 -7.029 -6.489 -0.142
31 H GLN 5 H GLN 5 -2.446 -7.675 -4.181
32 HA GLN 5 HA GLN 5 -4.555 -7.731 -6.211
33 HB2 GLN 5 2HB GLN 5 -2.384 -8.439 -6.992
34 HB3 GLN 5 3HB GLN 5 -2.235 -9.588 -5.669
35 HG2 GLN 5 2HG GLN 5 -4.234 -10.776 -6.605
36 HG3 GLN 5 3HG GLN 5 -4.113 -9.719 -8.010
37 HE21 GLN 5 1HE2 GLN 5 -1.971 -11.732 -6.016
38 HE22 GLN 5 2HE2 GLN 5 -1.134 -12.455 -7.344
39 HA PRO 6 HA PRO 6 -7.213 -10.094 -3.602
40 HB2 PRO 6 2HB PRO 6 -8.862 -11.074 -5.523
41 HB3 PRO 6 3HB PRO 6 -8.917 -9.395 -4.975
42 HG2 PRO 6 2HG PRO 6 -7.609 -10.551 -7.406
43 HG3 PRO 6 3HG PRO 6 -8.566 -9.067 -7.250
44 HD2 PRO 6 2HD PRO 6 -5.860 -9.053 -7.327
45 HD3 PRO 6 3HD PRO 6 -6.795 -7.863 -6.398
46 H PHE 7 H PHE 7 -7.236 -12.124 -2.808
47 HA PHE 7 HA PHE 7 -5.399 -14.039 -3.501
48 HB2 PHE 7 2HB PHE 7 -7.008 -15.667 -2.325
49 HB3 PHE 7 3HB PHE 7 -6.419 -14.290 -1.400
50 HD1 PHE 7 HD1 PHE 7 -9.259 -15.141 -3.668
51 HD2 PHE 7 HD2 PHE 7 -7.952 -13.142 -0.145
52 HE1 PHE 7 HE1 PHE 7 -11.579 -14.480 -3.187
53 HE2 PHE 7 HE2 PHE 7 -10.271 -12.478 0.342
54 HZ PHE 7 HZ PHE 7 -12.088 -13.147 -1.179
55 HA PRO 8 HA PRO 8 -6.783 -16.145 -7.092
56 HB2 PRO 8 2HB PRO 8 -6.040 -18.700 -6.557
57 HB3 PRO 8 3HB PRO 8 -4.880 -17.424 -6.943
58 HG2 PRO 8 2HG PRO 8 -5.669 -18.522 -4.272
59 HG3 PRO 8 3HG PRO 8 -4.055 -18.111 -4.880
60 HD2 PRO 8 2HD PRO 8 -5.450 -16.478 -3.231
61 HD3 PRO 8 3HD PRO 8 -4.334 -15.861 -4.466
62 HA PRO 9 HA PRO 9 -10.715 -18.042 -6.573
63 HB2 PRO 9 2HB PRO 9 -10.755 -19.894 -8.558
64 HB3 PRO 9 3HB PRO 9 -10.866 -18.157 -8.863
65 HG2 PRO 9 2HG PRO 9 -8.490 -19.967 -9.061
66 HG3 PRO 9 3HG PRO 9 -9.010 -18.679 -10.163
67 HD2 PRO 9 2HD PRO 9 -7.032 -18.331 -8.348
68 HD3 PRO 9 3HD PRO 9 -8.115 -17.015 -8.844
69 H GLN 10 H GLN 10 -11.683 -19.652 -5.438
70 HA GLN 10 HA GLN 10 -11.935 -21.519 -4.165
71 HB2 GLN 10 2HB GLN 10 -10.654 -22.390 -6.571
72 HB3 GLN 10 3HB GLN 10 -10.003 -23.308 -5.220
73 HG2 GLN 10 2HG GLN 10 -11.950 -24.370 -6.318
74 HG3 GLN 10 3HG GLN 10 -12.176 -24.068 -4.596
75 HE21 GLN 10 1HE2 GLN 10 -14.442 -24.254 -5.011
76 HE22 GLN 10 2HE2 GLN 10 -15.321 -22.914 -5.655
77 H GLN 11 H GLN 11 -11.171 -20.880 -2.208
78 HA GLN 11 HA GLN 11 -8.569 -20.313 -1.484
79 HB2 GLN 11 2HB GLN 11 -9.263 -20.484 0.773
80 HB3 GLN 11 3HB GLN 11 -10.680 -19.956 -0.125
81 HG2 GLN 11 2HG GLN 11 -11.425 -22.343 -0.181
82 HG3 GLN 11 3HG GLN 11 -10.098 -22.714 0.919
83 HE21 GLN 11 1HE2 GLN 11 -10.251 -22.157 3.046
84 HE22 GLN 11 2HE2 GLN 11 -11.689 -21.521 3.764
85 HA PRO 12 HA PRO 12 -6.357 -24.101 -1.356
86 HB2 PRO 12 2HB PRO 12 -4.654 -23.637 0.706
87 HB3 PRO 12 3HB PRO 12 -4.491 -22.853 -0.870
88 HG2 PRO 12 2HG PRO 12 -5.697 -21.793 1.657
89 HG3 PRO 12 3HG PRO 12 -4.624 -20.980 0.503
90 HD2 PRO 12 2HD PRO 12 -7.303 -20.587 0.529
91 HD3 PRO 12 3HD PRO 12 -6.343 -20.521 -0.963
92 H TYR 13 H TYR 13 -7.715 -25.740 -0.750
93 HA TYR 13 HA TYR 13 -8.839 -27.219 0.578
94 HB2 TYR 13 2HB TYR 13 -6.901 -28.256 1.202
95 HB3 TYR 13 3HB TYR 13 -6.188 -26.778 1.838
96 HD1 TYR 13 HD1 TYR 13 -8.544 -29.526 2.583
97 HD2 TYR 13 HD2 TYR 13 -6.359 -26.226 4.145
98 HE1 TYR 13 HE1 TYR 13 -9.077 -30.262 4.869
99 HE2 TYR 13 HE2 TYR 13 -6.884 -26.954 6.435
100 HH TYR 13 HH TYR 13 -9.130 -29.559 7.064
Start of MODEL 8
1 H1 LEU 1 H LEU 1 2.629 -2.365 -5.994
2 HA LEU 1 HA LEU 1 2.224 -3.387 -3.896
3 HB2 LEU 1 2HB LEU 1 4.188 -1.253 -4.026
4 HB3 LEU 1 3HB LEU 1 3.622 -1.537 -2.381
5 HG LEU 1 HG LEU 1 5.700 -2.770 -2.995
6 HD11 LEU 1 1HD1 LEU 1 4.852 -3.841 -1.211
7 HD12 LEU 1 2HD1 LEU 1 4.473 -5.100 -2.385
8 HD13 LEU 1 3HD1 LEU 1 3.234 -3.941 -1.906
9 HD21 LEU 1 1HD2 LEU 1 4.383 -3.319 -5.337
10 HD22 LEU 1 2HD2 LEU 1 4.258 -4.843 -4.458
11 HD23 LEU 1 3HD2 LEU 1 5.842 -4.128 -4.764
12 H GLY 2 H GLY 2 0.633 -3.506 -2.460
13 HA2 GLY 2 2HA GLY 2 -0.484 -2.583 -0.525
14 HA3 GLY 2 3HA GLY 2 -0.391 -1.002 -1.287
15 H GLN 3 H GLN 3 -1.384 -1.362 -3.750
16 HA GLN 3 HA GLN 3 -4.072 -1.168 -3.548
17 HB2 GLN 3 2HB GLN 3 -2.656 -2.499 -5.863
18 HB3 GLN 3 3HB GLN 3 -4.235 -1.726 -5.913
19 HG2 GLN 3 2HG GLN 3 -3.208 0.427 -5.422
20 HG3 GLN 3 3HG GLN 3 -1.623 -0.341 -5.344
21 HE21 GLN 3 1HE2 GLN 3 -3.120 1.674 -7.165
22 HE22 GLN 3 2HE2 GLN 3 -2.686 1.148 -8.752
23 H GLN 4 H GLN 4 -5.635 -2.451 -2.848
24 HA GLN 4 HA GLN 4 -5.340 -5.067 -2.026
25 HB2 GLN 4 2HB GLN 4 -7.887 -5.169 -2.258
26 HB3 GLN 4 3HB GLN 4 -7.222 -3.918 -1.217
27 HG2 GLN 4 2HG GLN 4 -7.900 -2.238 -2.564
28 HG3 GLN 4 3HG GLN 4 -7.675 -3.180 -4.037
29 HE21 GLN 4 1HE2 GLN 4 -9.742 -2.950 -1.175
30 HE22 GLN 4 2HE2 GLN 4 -11.200 -3.420 -1.974
31 H GLN 5 H GLN 5 -4.851 -6.820 -3.154
32 HA GLN 5 HA GLN 5 -5.631 -6.981 -5.971
33 HB2 GLN 5 2HB GLN 5 -3.286 -7.364 -5.553
34 HB3 GLN 5 3HB GLN 5 -3.657 -8.580 -4.337
35 HG2 GLN 5 2HG GLN 5 -4.732 -9.929 -6.156
36 HG3 GLN 5 3HG GLN 5 -4.076 -8.765 -7.306
37 HE21 GLN 5 1HE2 GLN 5 -2.289 -9.425 -8.233
38 HE22 GLN 5 2HE2 GLN 5 -1.068 -10.416 -7.517
39 HA PRO 6 HA PRO 6 -8.874 -9.831 -5.062
40 HB2 PRO 6 2HB PRO 6 -9.188 -10.860 -7.555
41 HB3 PRO 6 3HB PRO 6 -9.745 -9.244 -7.106
42 HG2 PRO 6 2HG PRO 6 -7.250 -10.054 -8.549
43 HG3 PRO 6 3HG PRO 6 -8.356 -8.712 -8.893
44 HD2 PRO 6 2HD PRO 6 -6.005 -8.366 -7.596
45 HD3 PRO 6 3HD PRO 6 -7.435 -7.369 -7.262
46 H PHE 7 H PHE 7 -8.333 -11.556 -3.859
47 HA PHE 7 HA PHE 7 -6.224 -13.283 -4.160
48 HB2 PHE 7 2HB PHE 7 -7.732 -14.962 -2.924
49 HB3 PHE 7 3HB PHE 7 -7.402 -13.425 -2.132
50 HD1 PHE 7 HD1 PHE 7 -9.913 -15.136 -4.272
51 HD2 PHE 7 HD2 PHE 7 -9.152 -12.104 -1.383
52 HE1 PHE 7 HE1 PHE 7 -12.331 -14.732 -4.065
53 HE2 PHE 7 HE2 PHE 7 -11.569 -11.696 -1.171
54 HZ PHE 7 HZ PHE 7 -13.162 -13.010 -2.512
55 HA PRO 8 HA PRO 8 -6.999 -15.942 -7.562
56 HB2 PRO 8 2HB PRO 8 -6.012 -18.303 -6.657
57 HB3 PRO 8 3HB PRO 8 -4.981 -16.939 -7.103
58 HG2 PRO 8 2HG PRO 8 -5.885 -17.822 -4.389
59 HG3 PRO 8 3HG PRO 8 -4.280 -17.277 -4.911
60 HD2 PRO 8 2HD PRO 8 -6.010 -15.662 -3.594
61 HD3 PRO 8 3HD PRO 8 -4.863 -15.049 -4.803
62 HA PRO 9 HA PRO 9 -10.709 -18.262 -7.130
63 HB2 PRO 9 2HB PRO 9 -10.340 -20.315 -8.866
64 HB3 PRO 9 3HB PRO 9 -10.627 -18.652 -9.392
65 HG2 PRO 9 2HG PRO 9 -8.045 -20.150 -9.173
66 HG3 PRO 9 3HG PRO 9 -8.607 -19.073 -10.464
67 HD2 PRO 9 2HD PRO 9 -6.866 -18.270 -8.553
68 HD3 PRO 9 3HD PRO 9 -8.046 -17.169 -9.294
69 H GLN 10 H GLN 10 -11.347 -19.501 -5.491
70 HA GLN 10 HA GLN 10 -11.448 -21.152 -3.930
71 HB2 GLN 10 2HB GLN 10 -11.318 -22.505 -6.133
72 HB3 GLN 10 3HB GLN 10 -9.658 -22.837 -5.658
73 HG2 GLN 10 2HG GLN 10 -11.137 -24.643 -5.000
74 HG3 GLN 10 3HG GLN 10 -10.435 -23.851 -3.590
75 HE21 GLN 10 1HE2 GLN 10 -11.843 -23.781 -2.004
76 HE22 GLN 10 2HE2 GLN 10 -13.529 -23.430 -2.148
77 H GLN 11 H GLN 11 -10.357 -20.326 -2.220
78 HA GLN 11 HA GLN 11 -7.653 -19.807 -2.000
79 HB2 GLN 11 2HB GLN 11 -7.974 -19.653 0.341
80 HB3 GLN 11 3HB GLN 11 -9.501 -19.169 -0.384
81 HG2 GLN 11 2HG GLN 11 -10.380 -21.434 0.031
82 HG3 GLN 11 3HG GLN 11 -8.867 -21.846 0.835
83 HE21 GLN 11 1HE2 GLN 11 -11.178 -22.129 2.194
84 HE22 GLN 11 2HE2 GLN 11 -11.314 -20.919 3.419
85 HA PRO 12 HA PRO 12 -5.572 -23.661 -1.715
86 HB2 PRO 12 2HB PRO 12 -3.540 -23.028 -0.029
87 HB3 PRO 12 3HB PRO 12 -3.612 -22.461 -1.702
88 HG2 PRO 12 2HG PRO 12 -4.354 -21.026 0.818
89 HG3 PRO 12 3HG PRO 12 -3.460 -20.424 -0.590
90 HD2 PRO 12 2HD PRO 12 -6.085 -19.890 -0.194
91 HD3 PRO 12 3HD PRO 12 -5.380 -20.066 -1.814
92 H TYR 13 H TYR 13 -5.817 -25.494 -0.581
93 HA TYR 13 HA TYR 13 -6.596 -26.899 1.041
94 HB2 TYR 13 2HB TYR 13 -4.591 -26.879 2.135
95 HB3 TYR 13 3HB TYR 13 -4.590 -25.130 2.329
96 HD1 TYR 13 HD1 TYR 13 -5.582 -24.092 4.266
97 HD2 TYR 13 HD2 TYR 13 -5.758 -28.311 3.746
98 HE1 TYR 13 HE1 TYR 13 -6.279 -24.346 6.611
99 HE2 TYR 13 HE2 TYR 13 -6.456 -28.576 6.089
100 HH TYR 13 HH TYR 13 -7.701 -26.952 7.834
Start of MODEL 9
1 H1 LEU 1 H LEU 1 3.971 0.878 -2.064
2 HA LEU 1 HA LEU 1 1.888 1.940 -2.906
3 HB2 LEU 1 2HB LEU 1 3.978 3.354 -4.376
4 HB3 LEU 1 3HB LEU 1 2.637 2.830 -5.393
5 HG LEU 1 HG LEU 1 1.383 4.002 -3.228
6 HD11 LEU 1 1HD1 LEU 1 3.530 5.918 -4.047
7 HD12 LEU 1 2HD1 LEU 1 3.768 4.827 -2.682
8 HD13 LEU 1 3HD1 LEU 1 2.439 5.985 -2.663
9 HD21 LEU 1 1HD2 LEU 1 1.050 5.905 -4.880
10 HD22 LEU 1 2HD2 LEU 1 0.565 4.295 -5.414
11 HD23 LEU 1 3HD2 LEU 1 2.085 4.991 -5.977
12 H GLY 2 H GLY 2 0.787 0.248 -3.627
13 HA2 GLY 2 2HA GLY 2 1.032 -0.942 -6.104
14 HA3 GLY 2 3HA GLY 2 2.035 -1.902 -5.027
15 H GLN 3 H GLN 3 -1.231 -0.851 -5.734
16 HA GLN 3 HA GLN 3 -2.740 -1.876 -3.740
17 HB2 GLN 3 2HB GLN 3 -3.326 -2.300 -6.674
18 HB3 GLN 3 3HB GLN 3 -4.501 -2.302 -5.366
19 HG2 GLN 3 2HG GLN 3 -4.036 0.048 -4.930
20 HG3 GLN 3 3HG GLN 3 -2.838 0.055 -6.223
21 HE21 GLN 3 1HE2 GLN 3 -6.001 0.685 -5.439
22 HE22 GLN 3 2HE2 GLN 3 -6.671 0.745 -7.030
23 H GLN 4 H GLN 4 -2.603 -3.731 -2.676
24 HA GLN 4 HA GLN 4 -1.257 -6.009 -3.453
25 HB2 GLN 4 2HB GLN 4 -2.756 -7.182 -1.742
26 HB3 GLN 4 3HB GLN 4 -1.788 -5.829 -1.172
27 HG2 GLN 4 2HG GLN 4 -4.435 -5.049 -2.112
28 HG3 GLN 4 3HG GLN 4 -4.467 -6.170 -0.752
29 HE21 GLN 4 1HE2 GLN 4 -2.845 -5.570 1.016
30 HE22 GLN 4 2HE2 GLN 4 -2.808 -3.903 1.468
31 H GLN 5 H GLN 5 -1.915 -8.053 -4.220
32 HA GLN 5 HA GLN 5 -4.131 -7.904 -6.107
33 HB2 GLN 5 2HB GLN 5 -2.037 -8.707 -6.996
34 HB3 GLN 5 3HB GLN 5 -1.922 -9.930 -5.738
35 HG2 GLN 5 2HG GLN 5 -4.022 -10.939 -6.662
36 HG3 GLN 5 3HG GLN 5 -3.877 -9.820 -8.017
37 HE21 GLN 5 1HE2 GLN 5 -2.345 -12.492 -6.342
38 HE22 GLN 5 2HE2 GLN 5 -1.392 -13.031 -7.677
39 HA PRO 6 HA PRO 6 -6.855 -10.225 -3.527
40 HB2 PRO 6 2HB PRO 6 -8.624 -10.997 -5.436
41 HB3 PRO 6 3HB PRO 6 -8.552 -9.348 -4.804
42 HG2 PRO 6 2HG PRO 6 -7.399 -10.459 -7.334
43 HG3 PRO 6 3HG PRO 6 -8.252 -8.927 -7.071
44 HD2 PRO 6 2HD PRO 6 -5.554 -9.081 -7.242
45 HD3 PRO 6 3HD PRO 6 -6.380 -7.884 -6.223
46 H PHE 7 H PHE 7 -6.802 -12.253 -2.782
47 HA PHE 7 HA PHE 7 -5.184 -14.245 -3.747
48 HB2 PHE 7 2HB PHE 7 -6.727 -15.816 -2.414
49 HB3 PHE 7 3HB PHE 7 -5.946 -14.503 -1.540
50 HD1 PHE 7 HD1 PHE 7 -9.113 -15.312 -3.322
51 HD2 PHE 7 HD2 PHE 7 -7.219 -13.124 -0.201
52 HE1 PHE 7 HE1 PHE 7 -11.312 -14.537 -2.536
53 HE2 PHE 7 HE2 PHE 7 -9.415 -12.347 0.591
54 HZ PHE 7 HZ PHE 7 -11.465 -13.054 -0.576
55 HA PRO 8 HA PRO 8 -7.130 -16.159 -7.182
56 HB2 PRO 8 2HB PRO 8 -6.479 -18.768 -6.806
57 HB3 PRO 8 3HB PRO 8 -5.303 -17.547 -7.306
58 HG2 PRO 8 2HG PRO 8 -5.815 -18.681 -4.583
59 HG3 PRO 8 3HG PRO 8 -4.268 -18.342 -5.381
60 HD2 PRO 8 2HD PRO 8 -5.345 -16.686 -3.530
61 HD3 PRO 8 3HD PRO 8 -4.359 -16.094 -4.882
62 HA PRO 9 HA PRO 9 -11.072 -17.849 -6.212
63 HB2 PRO 9 2HB PRO 9 -11.471 -19.634 -8.218
64 HB3 PRO 9 3HB PRO 9 -11.516 -17.884 -8.466
65 HG2 PRO 9 2HG PRO 9 -9.295 -19.818 -9.007
66 HG3 PRO 9 3HG PRO 9 -9.872 -18.469 -10.004
67 HD2 PRO 9 2HD PRO 9 -7.664 -18.289 -8.447
68 HD3 PRO 9 3HD PRO 9 -8.720 -16.899 -8.770
69 H GLN 10 H GLN 10 -12.135 -19.586 -5.252
70 HA GLN 10 HA GLN 10 -12.349 -21.489 -4.026
71 HB2 GLN 10 2HB GLN 10 -11.299 -22.269 -6.493
72 HB3 GLN 10 3HB GLN 10 -10.305 -23.099 -5.304
73 HG2 GLN 10 2HG GLN 10 -11.975 -24.455 -4.652
74 HG3 GLN 10 3HG GLN 10 -13.205 -23.204 -4.831
75 HE21 GLN 10 1HE2 GLN 10 -11.005 -25.146 -6.826
76 HE22 GLN 10 2HE2 GLN 10 -12.144 -25.450 -8.089
77 H GLN 11 H GLN 11 -11.573 -20.923 -2.053
78 HA GLN 11 HA GLN 11 -8.966 -20.361 -1.335
79 HB2 GLN 11 2HB GLN 11 -9.637 -20.618 0.921
80 HB3 GLN 11 3HB GLN 11 -11.066 -20.069 0.056
81 HG2 GLN 11 2HG GLN 11 -11.717 -22.520 -0.106
82 HG3 GLN 11 3HG GLN 11 -10.455 -22.816 1.089
83 HE21 GLN 11 1HE2 GLN 11 -13.606 -22.631 0.866
84 HE22 GLN 11 2HE2 GLN 11 -14.020 -21.895 2.373
85 HA PRO 12 HA PRO 12 -6.729 -24.136 -1.365
86 HB2 PRO 12 2HB PRO 12 -5.008 -23.735 0.696
87 HB3 PRO 12 3HB PRO 12 -4.866 -22.894 -0.852
88 HG2 PRO 12 2HG PRO 12 -6.054 -21.935 1.723
89 HG3 PRO 12 3HG PRO 12 -4.998 -21.073 0.588
90 HD2 PRO 12 2HD PRO 12 -7.679 -20.699 0.654
91 HD3 PRO 12 3HD PRO 12 -6.734 -20.573 -0.843
92 H TYR 13 H TYR 13 -7.798 -25.939 -0.794
93 HA TYR 13 HA TYR 13 -8.860 -27.520 0.465
94 HB2 TYR 13 2HB TYR 13 -6.882 -28.324 1.274
95 HB3 TYR 13 3HB TYR 13 -6.393 -26.767 1.933
96 HD1 TYR 13 HD1 TYR 13 -8.369 -29.807 2.558
97 HD2 TYR 13 HD2 TYR 13 -6.936 -26.149 4.190
98 HE1 TYR 13 HE1 TYR 13 -9.010 -30.567 4.807
99 HE2 TYR 13 HE2 TYR 13 -7.573 -26.899 6.444
100 HH TYR 13 HH TYR 13 -9.464 -28.716 7.313
Start of MODEL 10
1 H1 LEU 1 H LEU 1 0.648 1.330 -8.077
2 HA LEU 1 HA LEU 1 1.309 -0.369 -6.277
3 HB2 LEU 1 2HB LEU 1 2.383 2.347 -6.686
4 HB3 LEU 1 3HB LEU 1 2.895 1.531 -5.210
5 HG LEU 1 HG LEU 1 3.212 0.343 -7.961
6 HD11 LEU 1 1HD1 LEU 1 5.383 1.167 -8.086
7 HD12 LEU 1 2HD1 LEU 1 5.422 1.602 -6.378
8 HD13 LEU 1 3HD1 LEU 1 4.452 2.548 -7.507
9 HD21 LEU 1 1HD2 LEU 1 3.953 -1.465 -6.908
10 HD22 LEU 1 2HD2 LEU 1 3.429 -0.743 -5.386
11 HD23 LEU 1 3HD2 LEU 1 5.082 -0.503 -5.953
12 H GLY 2 H GLY 2 -0.401 -0.833 -4.850
13 HA2 GLY 2 2HA GLY 2 -0.118 -0.028 -2.230
14 HA3 GLY 2 3HA GLY 2 -1.323 1.053 -2.913
15 H GLN 3 H GLN 3 -3.105 -0.136 -4.167
16 HA GLN 3 HA GLN 3 -4.699 -1.564 -2.517
17 HB2 GLN 3 2HB GLN 3 -4.513 -2.040 -5.495
18 HB3 GLN 3 3HB GLN 3 -5.903 -2.375 -4.471
19 HG2 GLN 3 2HG GLN 3 -6.151 0.003 -4.012
20 HG3 GLN 3 3HG GLN 3 -4.744 0.349 -5.016
21 HE21 GLN 3 1HE2 GLN 3 -8.097 -0.336 -4.949
22 HE22 GLN 3 2HE2 GLN 3 -8.386 -0.219 -6.648
23 H GLN 4 H GLN 4 -4.432 -3.395 -1.442
24 HA GLN 4 HA GLN 4 -2.390 -5.218 -1.771
25 HB2 GLN 4 2HB GLN 4 -3.941 -6.814 -0.507
26 HB3 GLN 4 3HB GLN 4 -3.541 -5.290 0.274
27 HG2 GLN 4 2HG GLN 4 -5.662 -4.610 0.290
28 HG3 GLN 4 3HG GLN 4 -5.943 -5.146 -1.365
29 HE21 GLN 4 1HE2 GLN 4 -5.753 -6.226 1.976
30 HE22 GLN 4 2HE2 GLN 4 -6.797 -7.589 1.789
31 H GLN 5 H GLN 5 -2.312 -7.362 -2.597
32 HA GLN 5 HA GLN 5 -3.554 -7.628 -5.157
33 HB2 GLN 5 2HB GLN 5 -1.301 -8.438 -4.852
34 HB3 GLN 5 3HB GLN 5 -1.816 -9.510 -3.556
35 HG2 GLN 5 2HG GLN 5 -3.243 -10.699 -5.240
36 HG3 GLN 5 3HG GLN 5 -2.454 -9.730 -6.484
37 HE21 GLN 5 1HE2 GLN 5 -0.009 -9.798 -6.374
38 HE22 GLN 5 2HE2 GLN 5 0.706 -11.347 -6.103
39 HA PRO 6 HA PRO 6 -7.212 -9.763 -3.923
40 HB2 PRO 6 2HB PRO 6 -7.875 -10.811 -6.338
41 HB3 PRO 6 3HB PRO 6 -8.086 -9.102 -5.943
42 HG2 PRO 6 2HG PRO 6 -5.889 -10.434 -7.479
43 HG3 PRO 6 3HG PRO 6 -6.740 -8.918 -7.830
44 HD2 PRO 6 2HD PRO 6 -4.287 -8.979 -6.685
45 HD3 PRO 6 3HD PRO 6 -5.478 -7.713 -6.324
46 H PHE 7 H PHE 7 -7.533 -11.688 -2.999
47 HA PHE 7 HA PHE 7 -5.684 -13.708 -2.862
48 HB2 PHE 7 2HB PHE 7 -7.694 -15.181 -2.219
49 HB3 PHE 7 3HB PHE 7 -7.388 -13.747 -1.245
50 HD1 PHE 7 HD1 PHE 7 -9.430 -14.986 -4.088
51 HD2 PHE 7 HD2 PHE 7 -9.063 -12.175 -0.913
52 HE1 PHE 7 HE1 PHE 7 -11.730 -14.219 -4.506
53 HE2 PHE 7 HE2 PHE 7 -11.363 -11.404 -1.325
54 HZ PHE 7 HZ PHE 7 -12.700 -12.427 -3.123
55 HA PRO 8 HA PRO 8 -5.844 -16.073 -6.553
56 HB2 PRO 8 2HB PRO 8 -5.484 -18.595 -5.613
57 HB3 PRO 8 3HB PRO 8 -4.191 -17.390 -5.653
58 HG2 PRO 8 2HG PRO 8 -5.926 -18.231 -3.363
59 HG3 PRO 8 3HG PRO 8 -4.181 -17.922 -3.389
60 HD2 PRO 8 2HD PRO 8 -5.967 -16.113 -2.457
61 HD3 PRO 8 3HD PRO 8 -4.456 -15.637 -3.259
62 HA PRO 9 HA PRO 9 -9.812 -17.803 -7.326
63 HB2 PRO 9 2HB PRO 9 -9.263 -19.817 -9.062
64 HB3 PRO 9 3HB PRO 9 -9.159 -18.109 -9.507
65 HG2 PRO 9 2HG PRO 9 -6.973 -19.999 -8.726
66 HG3 PRO 9 3HG PRO 9 -6.999 -18.796 -10.028
67 HD2 PRO 9 2HD PRO 9 -5.764 -18.352 -7.660
68 HD3 PRO 9 3HD PRO 9 -6.527 -17.051 -8.597
69 H GLN 10 H GLN 10 -10.705 -18.755 -5.565
70 HA GLN 10 HA GLN 10 -11.389 -20.379 -4.128
71 HB2 GLN 10 2HB GLN 10 -11.506 -21.532 -6.522
72 HB3 GLN 10 3HB GLN 10 -10.244 -22.541 -5.828
73 HG2 GLN 10 2HG GLN 10 -11.778 -23.751 -4.803
74 HG3 GLN 10 3HG GLN 10 -12.307 -22.327 -3.909
75 HE21 GLN 10 1HE2 GLN 10 -13.050 -24.569 -6.358
76 HE22 GLN 10 2HE2 GLN 10 -14.563 -23.894 -6.844
77 H GLN 11 H GLN 11 -10.093 -20.047 -2.380
78 HA GLN 11 HA GLN 11 -7.379 -20.578 -2.157
79 HB2 GLN 11 2HB GLN 11 -7.636 -20.344 0.184
80 HB3 GLN 11 3HB GLN 11 -8.856 -19.303 -0.537
81 HG2 GLN 11 2HG GLN 11 -10.221 -21.644 -0.238
82 HG3 GLN 11 3HG GLN 11 -9.156 -21.654 1.167
83 HE21 GLN 11 1HE2 GLN 11 -11.237 -19.399 -0.618
84 HE22 GLN 11 2HE2 GLN 11 -11.922 -18.654 0.783
85 HA PRO 12 HA PRO 12 -6.936 -24.939 -1.928
86 HB2 PRO 12 2HB PRO 12 -4.832 -25.156 -0.227
87 HB3 PRO 12 3HB PRO 12 -4.667 -24.582 -1.891
88 HG2 PRO 12 2HG PRO 12 -4.824 -23.007 0.650
89 HG3 PRO 12 3HG PRO 12 -3.755 -22.775 -0.746
90 HD2 PRO 12 2HD PRO 12 -5.978 -21.280 -0.349
91 HD3 PRO 12 3HD PRO 12 -5.380 -21.691 -1.969
92 H TYR 13 H TYR 13 -8.458 -26.114 -0.933
93 HA TYR 13 HA TYR 13 -9.797 -26.995 0.693
94 HB2 TYR 13 2HB TYR 13 -8.162 -28.441 1.367
95 HB3 TYR 13 3HB TYR 13 -7.009 -27.154 1.699
96 HD1 TYR 13 HD1 TYR 13 -9.868 -29.045 3.047
97 HD2 TYR 13 HD2 TYR 13 -6.846 -26.168 3.877
98 HE1 TYR 13 HE1 TYR 13 -10.338 -29.254 5.452
99 HE2 TYR 13 HE2 TYR 13 -7.307 -26.369 6.285
100 HH TYR 13 HH TYR 13 -10.055 -28.057 7.494
Start of MODEL 11
1 H1 LEU 1 H LEU 1 4.382 1.645 -1.225
2 HA LEU 1 HA LEU 1 1.599 1.276 -1.440
3 HB2 LEU 1 2HB LEU 1 3.871 1.584 -3.244
4 HB3 LEU 1 3HB LEU 1 2.595 0.560 -3.901
5 HG LEU 1 HG LEU 1 2.308 2.840 -4.651
6 HD11 LEU 1 1HD1 LEU 1 0.195 2.433 -2.568
7 HD12 LEU 1 2HD1 LEU 1 0.342 1.338 -3.942
8 HD13 LEU 1 3HD1 LEU 1 0.036 3.053 -4.211
9 HD21 LEU 1 1HD2 LEU 1 3.416 4.101 -2.978
10 HD22 LEU 1 2HD2 LEU 1 2.347 3.494 -1.713
11 HD23 LEU 1 3HD2 LEU 1 1.723 4.596 -2.942
12 H GLY 2 H GLY 2 0.352 -0.481 -2.016
13 HA2 GLY 2 2HA GLY 2 1.530 -3.030 -2.643
14 HA3 GLY 2 3HA GLY 2 0.887 -2.957 -1.009
15 H GLN 3 H GLN 3 -0.109 -2.074 -4.319
16 HA GLN 3 HA GLN 3 -2.798 -1.963 -4.070
17 HB2 GLN 3 2HB GLN 3 -1.379 -3.425 -6.303
18 HB3 GLN 3 3HB GLN 3 -2.987 -2.717 -6.378
19 HG2 GLN 3 2HG GLN 3 -2.034 -0.495 -6.085
20 HG3 GLN 3 3HG GLN 3 -0.420 -1.196 -5.984
21 HE21 GLN 3 1HE2 GLN 3 -0.747 0.682 -7.813
22 HE22 GLN 3 2HE2 GLN 3 -0.823 0.018 -9.406
23 H GLN 4 H GLN 4 -4.110 -3.236 -2.942
24 HA GLN 4 HA GLN 4 -3.669 -5.840 -2.148
25 HB2 GLN 4 2HB GLN 4 -6.217 -5.945 -1.926
26 HB3 GLN 4 3HB GLN 4 -5.381 -4.679 -1.036
27 HG2 GLN 4 2HG GLN 4 -6.283 -3.937 -3.732
28 HG3 GLN 4 3HG GLN 4 -7.561 -4.281 -2.568
29 HE21 GLN 4 1HE2 GLN 4 -6.709 -1.762 -3.842
30 HE22 GLN 4 2HE2 GLN 4 -6.385 -0.674 -2.540
31 H GLN 5 H GLN 5 -3.649 -7.737 -3.153
32 HA GLN 5 HA GLN 5 -4.611 -7.878 -5.907
33 HB2 GLN 5 2HB GLN 5 -2.351 -8.649 -5.562
34 HB3 GLN 5 3HB GLN 5 -2.871 -9.735 -4.280
35 HG2 GLN 5 2HG GLN 5 -4.245 -10.942 -5.994
36 HG3 GLN 5 3HG GLN 5 -3.450 -9.956 -7.220
37 HE21 GLN 5 1HE2 GLN 5 -3.332 -12.755 -7.117
38 HE22 GLN 5 2HE2 GLN 5 -1.695 -13.218 -6.816
39 HA PRO 6 HA PRO 6 -8.254 -10.081 -4.750
40 HB2 PRO 6 2HB PRO 6 -8.853 -11.132 -7.180
41 HB3 PRO 6 3HB PRO 6 -9.101 -9.428 -6.783
42 HG2 PRO 6 2HG PRO 6 -6.852 -10.716 -8.282
43 HG3 PRO 6 3HG PRO 6 -7.723 -9.214 -8.644
44 HD2 PRO 6 2HD PRO 6 -5.291 -9.236 -7.454
45 HD3 PRO 6 3HD PRO 6 -6.511 -7.993 -7.111
46 H PHE 7 H PHE 7 -8.083 -11.862 -3.538
47 HA PHE 7 HA PHE 7 -6.286 -13.922 -3.759
48 HB2 PHE 7 2HB PHE 7 -8.076 -15.298 -2.524
49 HB3 PHE 7 3HB PHE 7 -7.509 -13.819 -1.756
50 HD1 PHE 7 HD1 PHE 7 -10.242 -15.180 -3.866
51 HD2 PHE 7 HD2 PHE 7 -9.016 -12.167 -1.121
52 HE1 PHE 7 HE1 PHE 7 -12.562 -14.374 -3.720
53 HE2 PHE 7 HE2 PHE 7 -11.334 -11.357 -0.969
54 HZ PHE 7 HZ PHE 7 -13.111 -12.461 -2.269
55 HA PRO 8 HA PRO 8 -7.432 -16.491 -7.125
56 HB2 PRO 8 2HB PRO 8 -6.869 -18.963 -6.153
57 HB3 PRO 8 3HB PRO 8 -5.617 -17.799 -6.603
58 HG2 PRO 8 2HG PRO 8 -6.704 -18.457 -3.893
59 HG3 PRO 8 3HG PRO 8 -5.022 -18.199 -4.391
60 HD2 PRO 8 2HD PRO 8 -6.482 -16.290 -3.143
61 HD3 PRO 8 3HD PRO 8 -5.227 -15.904 -4.338
62 HA PRO 9 HA PRO 9 -11.484 -18.151 -6.729
63 HB2 PRO 9 2HB PRO 9 -11.431 -20.277 -8.417
64 HB3 PRO 9 3HB PRO 9 -11.427 -18.602 -8.981
65 HG2 PRO 9 2HG PRO 9 -9.135 -20.503 -8.677
66 HG3 PRO 9 3HG PRO 9 -9.486 -19.377 -10.001
67 HD2 PRO 9 2HD PRO 9 -7.671 -18.831 -8.068
68 HD3 PRO 9 3HD PRO 9 -8.637 -17.567 -8.855
69 H GLN 10 H GLN 10 -11.494 -18.852 -4.565
70 HA GLN 10 HA GLN 10 -11.732 -20.350 -2.871
71 HB2 GLN 10 2HB GLN 10 -12.599 -21.696 -5.243
72 HB3 GLN 10 3HB GLN 10 -11.770 -22.851 -4.209
73 HG2 GLN 10 2HG GLN 10 -14.088 -22.907 -3.680
74 HG3 GLN 10 3HG GLN 10 -13.237 -22.143 -2.337
75 HE21 GLN 10 1HE2 GLN 10 -15.413 -21.661 -5.003
76 HE22 GLN 10 2HE2 GLN 10 -15.973 -20.098 -4.528
77 H GLN 11 H GLN 11 -9.797 -20.232 -1.837
78 HA GLN 11 HA GLN 11 -7.341 -21.170 -2.738
79 HB2 GLN 11 2HB GLN 11 -6.548 -20.887 -0.525
80 HB3 GLN 11 3HB GLN 11 -7.801 -19.672 -0.743
81 HG2 GLN 11 2HG GLN 11 -9.392 -21.216 0.396
82 HG3 GLN 11 3HG GLN 11 -8.025 -22.273 0.747
83 HE21 GLN 11 1HE2 GLN 11 -9.816 -19.591 1.739
84 HE22 GLN 11 2HE2 GLN 11 -8.802 -19.084 3.042
85 HA PRO 12 HA PRO 12 -7.455 -25.545 -2.408
86 HB2 PRO 12 2HB PRO 12 -4.881 -26.080 -1.730
87 HB3 PRO 12 3HB PRO 12 -5.358 -25.546 -3.346
88 HG2 PRO 12 2HG PRO 12 -4.204 -23.953 -1.090
89 HG3 PRO 12 3HG PRO 12 -3.806 -23.898 -2.817
90 HD2 PRO 12 2HD PRO 12 -5.419 -22.073 -1.635
91 HD3 PRO 12 3HD PRO 12 -5.627 -22.579 -3.323
92 H TYR 13 H TYR 13 -7.358 -27.313 -0.937
93 HA TYR 13 HA TYR 13 -7.876 -28.251 1.080
94 HB2 TYR 13 2HB TYR 13 -5.671 -28.489 1.628
95 HB3 TYR 13 3HB TYR 13 -5.329 -26.772 1.449
96 HD1 TYR 13 HD1 TYR 13 -6.656 -29.347 3.727
97 HD2 TYR 13 HD2 TYR 13 -5.471 -25.281 3.316
98 HE1 TYR 13 HE1 TYR 13 -6.710 -29.090 6.173
99 HE2 TYR 13 HE2 TYR 13 -5.521 -25.014 5.760
100 HH TYR 13 HH TYR 13 -6.709 -27.568 7.865
Start of MODEL 12
1 H1 LEU 1 H LEU 1 4.027 2.247 -3.749
2 HA LEU 1 HA LEU 1 1.587 1.946 -2.481
3 HB2 LEU 1 2HB LEU 1 1.370 3.910 -4.402
4 HB3 LEU 1 3HB LEU 1 0.765 2.474 -5.226
5 HG LEU 1 HG LEU 1 -0.293 3.592 -2.629
6 HD11 LEU 1 1HD1 LEU 1 -0.685 4.712 -5.012
7 HD12 LEU 1 2HD1 LEU 1 -1.945 4.632 -3.781
8 HD13 LEU 1 3HD1 LEU 1 -1.922 3.458 -5.098
9 HD21 LEU 1 1HD2 LEU 1 -1.102 1.224 -4.305
10 HD22 LEU 1 2HD2 LEU 1 -2.144 1.950 -3.080
11 HD23 LEU 1 3HD2 LEU 1 -0.599 1.236 -2.614
12 H GLY 2 H GLY 2 1.532 -0.197 -2.436
13 HA2 GLY 2 2HA GLY 2 1.990 -1.651 -4.966
14 HA3 GLY 2 3HA GLY 2 2.707 -2.195 -3.456
15 H GLN 3 H GLN 3 -0.510 -1.259 -4.686
16 HA GLN 3 HA GLN 3 -2.143 -2.496 -2.925
17 HB2 GLN 3 2HB GLN 3 -2.507 -2.622 -5.922
18 HB3 GLN 3 3HB GLN 3 -3.774 -2.767 -4.712
19 HG2 GLN 3 2HG GLN 3 -3.379 -0.470 -4.006
20 HG3 GLN 3 3HG GLN 3 -2.090 -0.321 -5.199
21 HE21 GLN 3 1HE2 GLN 3 -5.368 -1.674 -5.304
22 HE22 GLN 3 2HE2 GLN 3 -5.899 -0.731 -6.650
23 H GLN 4 H GLN 4 -2.142 -4.458 -2.070
24 HA GLN 4 HA GLN 4 -0.673 -6.632 -2.919
25 HB2 GLN 4 2HB GLN 4 -2.341 -7.991 -1.532
26 HB3 GLN 4 3HB GLN 4 -1.471 -6.701 -0.711
27 HG2 GLN 4 2HG GLN 4 -3.338 -5.580 -0.250
28 HG3 GLN 4 3HG GLN 4 -3.995 -5.825 -1.867
29 HE21 GLN 4 1HE2 GLN 4 -5.347 -7.538 -2.258
30 HE22 GLN 4 2HE2 GLN 4 -6.008 -8.524 -1.003
31 H GLN 5 H GLN 5 -1.123 -8.513 -4.066
32 HA GLN 5 HA GLN 5 -2.952 -8.189 -6.251
33 HB2 GLN 5 2HB GLN 5 -0.773 -9.261 -6.571
34 HB3 GLN 5 3HB GLN 5 -1.232 -10.548 -5.464
35 HG2 GLN 5 2HG GLN 5 -1.664 -11.578 -7.437
36 HG3 GLN 5 3HG GLN 5 -3.231 -10.821 -7.158
37 HE21 GLN 5 1HE2 GLN 5 -2.274 -11.616 -9.672
38 HE22 GLN 5 2HE2 GLN 5 -2.072 -10.203 -10.646
39 HA PRO 6 HA PRO 6 -6.459 -10.133 -4.407
40 HB2 PRO 6 2HB PRO 6 -7.849 -10.635 -6.684
41 HB3 PRO 6 3HB PRO 6 -7.703 -9.018 -5.984
42 HG2 PRO 6 2HG PRO 6 -6.177 -10.246 -8.247
43 HG3 PRO 6 3HG PRO 6 -6.859 -8.615 -8.113
44 HD2 PRO 6 2HD PRO 6 -4.234 -9.134 -7.701
45 HD3 PRO 6 3HD PRO 6 -5.100 -7.848 -6.837
46 H PHE 7 H PHE 7 -6.056 -12.100 -3.557
47 HA PHE 7 HA PHE 7 -4.832 -14.269 -4.703
48 HB2 PHE 7 2HB PHE 7 -6.251 -15.641 -3.051
49 HB3 PHE 7 3HB PHE 7 -5.206 -14.390 -2.387
50 HD1 PHE 7 HD1 PHE 7 -6.079 -12.754 -0.995
51 HD2 PHE 7 HD2 PHE 7 -8.706 -15.026 -3.456
52 HE1 PHE 7 HE1 PHE 7 -8.013 -11.739 0.138
53 HE2 PHE 7 HE2 PHE 7 -10.644 -14.014 -2.328
54 HZ PHE 7 HZ PHE 7 -10.299 -12.368 -0.529
55 HA PRO 8 HA PRO 8 -7.536 -16.069 -7.653
56 HB2 PRO 8 2HB PRO 8 -7.076 -18.719 -7.283
57 HB3 PRO 8 3HB PRO 8 -5.899 -17.636 -8.036
58 HG2 PRO 8 2HG PRO 8 -6.018 -18.639 -5.218
59 HG3 PRO 8 3HG PRO 8 -4.615 -18.480 -6.291
60 HD2 PRO 8 2HD PRO 8 -5.181 -16.674 -4.353
61 HD3 PRO 8 3HD PRO 8 -4.402 -16.221 -5.883
62 HA PRO 9 HA PRO 9 -11.380 -17.327 -5.930
63 HB2 PRO 9 2HB PRO 9 -12.300 -19.116 -7.753
64 HB3 PRO 9 3HB PRO 9 -12.224 -17.378 -8.066
65 HG2 PRO 9 2HG PRO 9 -10.328 -19.538 -8.904
66 HG3 PRO 9 3HG PRO 9 -10.945 -18.166 -9.842
67 HD2 PRO 9 2HD PRO 9 -8.487 -18.167 -8.708
68 HD3 PRO 9 3HD PRO 9 -9.449 -16.688 -8.901
69 H GLN 10 H GLN 10 -12.388 -18.903 -4.692
70 HA GLN 10 HA GLN 10 -12.572 -20.755 -3.384
71 HB2 GLN 10 2HB GLN 10 -11.930 -21.702 -5.966
72 HB3 GLN 10 3HB GLN 10 -10.956 -22.634 -4.836
73 HG2 GLN 10 2HG GLN 10 -12.834 -23.915 -4.905
74 HG3 GLN 10 3HG GLN 10 -13.230 -22.858 -3.552
75 HE21 GLN 10 1HE2 GLN 10 -15.234 -22.171 -3.601
76 HE22 GLN 10 2HE2 GLN 10 -16.162 -21.816 -5.014
77 H GLN 11 H GLN 11 -11.443 -20.265 -1.578
78 HA GLN 11 HA GLN 11 -8.726 -19.875 -1.305
79 HB2 GLN 11 2HB GLN 11 -9.113 -20.603 1.116
80 HB3 GLN 11 3HB GLN 11 -10.068 -19.253 0.520
81 HG2 GLN 11 2HG GLN 11 -12.007 -20.369 0.702
82 HG3 GLN 11 3HG GLN 11 -11.298 -21.899 0.192
83 HE21 GLN 11 1HE2 GLN 11 -9.584 -22.677 1.894
84 HE22 GLN 11 2HE2 GLN 11 -10.165 -22.705 3.521
85 HA PRO 12 HA PRO 12 -6.740 -23.775 -1.616
86 HB2 PRO 12 2HB PRO 12 -4.758 -23.525 0.223
87 HB3 PRO 12 3HB PRO 12 -4.753 -22.660 -1.319
88 HG2 PRO 12 2HG PRO 12 -5.554 -21.686 1.396
89 HG3 PRO 12 3HG PRO 12 -4.592 -20.866 0.152
90 HD2 PRO 12 2HD PRO 12 -7.216 -20.330 0.553
91 HD3 PRO 12 3HD PRO 12 -6.454 -20.230 -1.048
92 H TYR 13 H TYR 13 -7.349 -25.713 -0.907
93 HA TYR 13 HA TYR 13 -8.274 -27.329 0.416
94 HB2 TYR 13 2HB TYR 13 -6.252 -27.823 1.360
95 HB3 TYR 13 3HB TYR 13 -5.996 -26.178 1.933
96 HD1 TYR 13 HD1 TYR 13 -7.622 -29.398 2.672
97 HD2 TYR 13 HD2 TYR 13 -6.715 -25.501 4.119
98 HE1 TYR 13 HE1 TYR 13 -8.280 -30.093 4.937
99 HE2 TYR 13 HE2 TYR 13 -7.369 -26.185 6.389
100 HH TYR 13 HH TYR 13 -8.580 -27.809 7.545
Start of MODEL 13
1 H1 LEU 1 H LEU 1 3.495 -0.999 1.000
2 HA LEU 1 HA LEU 1 1.620 0.372 -0.541
3 HB2 LEU 1 2HB LEU 1 3.827 1.631 -1.043
4 HB3 LEU 1 3HB LEU 1 4.217 0.219 -2.023
5 HG LEU 1 HG LEU 1 2.104 0.642 -3.307
6 HD11 LEU 1 1HD1 LEU 1 1.705 2.536 -1.232
7 HD12 LEU 1 2HD1 LEU 1 0.642 2.138 -2.582
8 HD13 LEU 1 3HD1 LEU 1 1.851 3.410 -2.757
9 HD21 LEU 1 1HD2 LEU 1 3.071 2.743 -4.429
10 HD22 LEU 1 2HD2 LEU 1 4.060 1.283 -4.398
11 HD23 LEU 1 3HD2 LEU 1 4.382 2.590 -3.259
12 H GLY 2 H GLY 2 0.944 -0.823 -2.440
13 HA2 GLY 2 2HA GLY 2 1.818 -2.926 -3.743
14 HA3 GLY 2 3HA GLY 2 1.601 -3.665 -2.163
15 H GLN 3 H GLN 3 -0.054 -2.077 -4.833
16 HA GLN 3 HA GLN 3 -2.652 -2.048 -4.088
17 HB2 GLN 3 2HB GLN 3 -1.679 -3.133 -6.736
18 HB3 GLN 3 3HB GLN 3 -3.265 -2.448 -6.411
19 HG2 GLN 3 2HG GLN 3 -2.249 -0.281 -5.963
20 HG3 GLN 3 3HG GLN 3 -0.651 -0.963 -6.263
21 HE21 GLN 3 1HE2 GLN 3 -3.591 0.175 -7.667
22 HE22 GLN 3 2HE2 GLN 3 -3.069 0.139 -9.314
23 H GLN 4 H GLN 4 -3.730 -3.500 -2.925
24 HA GLN 4 HA GLN 4 -3.186 -6.190 -2.650
25 HB2 GLN 4 2HB GLN 4 -5.643 -6.364 -1.953
26 HB3 GLN 4 3HB GLN 4 -4.628 -5.241 -1.057
27 HG2 GLN 4 2HG GLN 4 -5.911 -3.989 -3.336
28 HG3 GLN 4 3HG GLN 4 -7.070 -4.691 -2.208
29 HE21 GLN 4 1HE2 GLN 4 -6.848 -4.077 0.060
30 HE22 GLN 4 2HE2 GLN 4 -6.293 -2.486 0.441
31 H GLN 5 H GLN 5 -3.361 -7.887 -3.948
32 HA GLN 5 HA GLN 5 -4.895 -7.619 -6.422
33 HB2 GLN 5 2HB GLN 5 -2.557 -8.325 -6.616
34 HB3 GLN 5 3HB GLN 5 -2.878 -9.706 -5.575
35 HG2 GLN 5 2HG GLN 5 -3.017 -10.725 -7.592
36 HG3 GLN 5 3HG GLN 5 -4.697 -10.220 -7.416
37 HE21 GLN 5 1HE2 GLN 5 -3.644 -10.778 -9.880
38 HE22 GLN 5 2HE2 GLN 5 -3.516 -9.322 -10.801
39 HA PRO 6 HA PRO 6 -8.162 -10.152 -4.877
40 HB2 PRO 6 2HB PRO 6 -9.302 -10.785 -7.259
41 HB3 PRO 6 3HB PRO 6 -9.462 -9.191 -6.510
42 HG2 PRO 6 2HG PRO 6 -7.614 -10.084 -8.690
43 HG3 PRO 6 3HG PRO 6 -8.554 -8.586 -8.564
44 HD2 PRO 6 2HD PRO 6 -5.913 -8.702 -7.981
45 HD3 PRO 6 3HD PRO 6 -7.027 -7.598 -7.149
46 H PHE 7 H PHE 7 -7.123 -11.958 -4.044
47 HA PHE 7 HA PHE 7 -5.690 -13.897 -5.349
48 HB2 PHE 7 2HB PHE 7 -6.625 -15.470 -3.539
49 HB3 PHE 7 3HB PHE 7 -5.741 -14.043 -3.005
50 HD1 PHE 7 HD1 PHE 7 -9.127 -15.446 -3.481
51 HD2 PHE 7 HD2 PHE 7 -6.761 -12.420 -1.648
52 HE1 PHE 7 HE1 PHE 7 -11.057 -14.772 -2.110
53 HE2 PHE 7 HE2 PHE 7 -8.686 -11.742 -0.274
54 HZ PHE 7 HZ PHE 7 -10.837 -12.919 -0.503
55 HA PRO 8 HA PRO 8 -8.383 -16.193 -7.942
56 HB2 PRO 8 2HB PRO 8 -7.420 -18.714 -7.649
57 HB3 PRO 8 3HB PRO 8 -6.557 -17.454 -8.539
58 HG2 PRO 8 2HG PRO 8 -6.141 -18.416 -5.735
59 HG3 PRO 8 3HG PRO 8 -4.934 -18.029 -6.976
60 HD2 PRO 8 2HD PRO 8 -5.562 -16.320 -4.972
61 HD3 PRO 8 3HD PRO 8 -5.074 -15.762 -6.586
62 HA PRO 9 HA PRO 9 -11.697 -18.079 -5.753
63 HB2 PRO 9 2HB PRO 9 -12.508 -20.032 -7.455
64 HB3 PRO 9 3HB PRO 9 -12.780 -18.313 -7.765
65 HG2 PRO 9 2HG PRO 9 -10.654 -20.120 -8.849
66 HG3 PRO 9 3HG PRO 9 -11.617 -18.894 -9.693
67 HD2 PRO 9 2HD PRO 9 -9.074 -18.443 -8.881
68 HD3 PRO 9 3HD PRO 9 -10.298 -17.159 -8.942
69 H GLN 10 H GLN 10 -12.460 -20.029 -4.696
70 HA GLN 10 HA GLN 10 -12.182 -21.908 -3.446
71 HB2 GLN 10 2HB GLN 10 -11.425 -22.625 -5.966
72 HB3 GLN 10 3HB GLN 10 -9.978 -23.021 -5.050
73 HG2 GLN 10 2HG GLN 10 -11.339 -24.394 -3.533
74 HG3 GLN 10 3HG GLN 10 -12.760 -24.034 -4.511
75 HE21 GLN 10 1HE2 GLN 10 -13.291 -25.698 -5.715
76 HE22 GLN 10 2HE2 GLN 10 -12.201 -26.753 -6.541
77 H GLN 11 H GLN 11 -11.336 -21.122 -1.579
78 HA GLN 11 HA GLN 11 -8.834 -20.041 -1.149
79 HB2 GLN 11 2HB GLN 11 -9.160 -20.866 1.251
80 HB3 GLN 11 3HB GLN 11 -10.398 -19.805 0.590
81 HG2 GLN 11 2HG GLN 11 -10.965 -22.613 0.118
82 HG3 GLN 11 3HG GLN 11 -10.813 -22.223 1.831
83 HE21 GLN 11 1HE2 GLN 11 -13.032 -22.647 2.101
84 HE22 GLN 11 2HE2 GLN 11 -14.230 -21.506 1.603
85 HA PRO 12 HA PRO 12 -5.889 -23.288 -1.315
86 HB2 PRO 12 2HB PRO 12 -4.152 -22.548 0.636
87 HB3 PRO 12 3HB PRO 12 -4.280 -21.698 -0.909
88 HG2 PRO 12 2HG PRO 12 -5.465 -20.989 1.747
89 HG3 PRO 12 3HG PRO 12 -4.678 -19.937 0.557
90 HD2 PRO 12 2HD PRO 12 -7.370 -20.104 0.799
91 HD3 PRO 12 3HD PRO 12 -6.568 -19.796 -0.755
92 H TYR 13 H TYR 13 -5.036 -25.126 -0.202
93 HA TYR 13 HA TYR 13 -5.357 -26.991 1.076
94 HB2 TYR 13 2HB TYR 13 -4.048 -26.166 2.756
95 HB3 TYR 13 3HB TYR 13 -5.023 -24.713 2.950
96 HD1 TYR 13 HD1 TYR 13 -6.856 -24.646 4.499
97 HD2 TYR 13 HD2 TYR 13 -4.702 -28.261 3.871
98 HE1 TYR 13 HE1 TYR 13 -7.915 -25.617 6.496
99 HE2 TYR 13 HE2 TYR 13 -5.756 -29.243 5.864
100 HH TYR 13 HH TYR 13 -7.207 -28.948 7.514
Start of MODEL 14
1 H1 LEU 1 H LEU 1 2.401 -2.672 -5.189
2 HA LEU 1 HA LEU 1 2.499 -2.747 -2.846
3 HB2 LEU 1 2HB LEU 1 2.759 0.209 -3.294
4 HB3 LEU 1 3HB LEU 1 3.611 -0.802 -2.129
5 HG LEU 1 HG LEU 1 4.291 -1.774 -4.686
6 HD11 LEU 1 1HD1 LEU 1 5.026 0.060 -5.923
7 HD12 LEU 1 2HD1 LEU 1 4.845 1.170 -4.564
8 HD13 LEU 1 3HD1 LEU 1 3.416 0.534 -5.380
9 HD21 LEU 1 1HD2 LEU 1 6.538 -0.820 -4.016
10 HD22 LEU 1 2HD2 LEU 1 5.791 -1.934 -2.870
11 HD23 LEU 1 3HD2 LEU 1 5.738 -0.195 -2.574
12 H GLY 2 H GLY 2 0.635 -3.249 -1.803
13 HA2 GLY 2 2HA GLY 2 -0.927 -2.637 -0.143
14 HA3 GLY 2 3HA GLY 2 -0.908 -0.993 -0.764
15 H GLN 3 H GLN 3 -1.387 -1.550 -3.481
16 HA GLN 3 HA GLN 3 -4.073 -1.404 -3.733
17 HB2 GLN 3 2HB GLN 3 -2.285 -2.884 -5.669
18 HB3 GLN 3 3HB GLN 3 -3.842 -2.156 -6.038
19 HG2 GLN 3 2HG GLN 3 -2.932 0.054 -5.569
20 HG3 GLN 3 3HG GLN 3 -1.373 -0.667 -5.173
21 HE21 GLN 3 1HE2 GLN 3 -3.746 -0.376 -7.773
22 HE22 GLN 3 2HE2 GLN 3 -2.600 -0.424 -9.065
23 H GLN 4 H GLN 4 -5.606 -2.659 -2.908
24 HA GLN 4 HA GLN 4 -5.358 -5.260 -2.025
25 HB2 GLN 4 2HB GLN 4 -7.899 -5.344 -2.325
26 HB3 GLN 4 3HB GLN 4 -7.251 -4.077 -1.291
27 HG2 GLN 4 2HG GLN 4 -7.532 -3.298 -4.093
28 HG3 GLN 4 3HG GLN 4 -9.051 -3.712 -3.300
29 HE21 GLN 4 1HE2 GLN 4 -7.552 -1.153 -4.187
30 HE22 GLN 4 2HE2 GLN 4 -7.769 -0.095 -2.839
31 H GLN 5 H GLN 5 -4.646 -6.916 -3.207
32 HA GLN 5 HA GLN 5 -5.381 -7.159 -6.008
33 HB2 GLN 5 2HB GLN 5 -3.077 -7.606 -5.449
34 HB3 GLN 5 3HB GLN 5 -3.555 -8.793 -4.243
35 HG2 GLN 5 2HG GLN 5 -4.565 -10.134 -6.105
36 HG3 GLN 5 3HG GLN 5 -3.807 -9.007 -7.229
37 HE21 GLN 5 1HE2 GLN 5 -1.817 -9.438 -7.877
38 HE22 GLN 5 2HE2 GLN 5 -0.738 -10.570 -7.142
39 HA PRO 6 HA PRO 6 -8.758 -9.896 -5.257
40 HB2 PRO 6 2HB PRO 6 -8.957 -10.949 -7.751
41 HB3 PRO 6 3HB PRO 6 -9.490 -9.311 -7.355
42 HG2 PRO 6 2HG PRO 6 -6.941 -10.216 -8.639
43 HG3 PRO 6 3HG PRO 6 -7.983 -8.846 -9.064
44 HD2 PRO 6 2HD PRO 6 -5.702 -8.553 -7.635
45 HD3 PRO 6 3HD PRO 6 -7.118 -7.509 -7.398
46 H PHE 7 H PHE 7 -8.156 -11.538 -3.923
47 HA PHE 7 HA PHE 7 -6.137 -13.370 -4.216
48 HB2 PHE 7 2HB PHE 7 -7.660 -14.914 -2.830
49 HB3 PHE 7 3HB PHE 7 -7.231 -13.353 -2.137
50 HD1 PHE 7 HD1 PHE 7 -8.892 -11.964 -1.336
51 HD2 PHE 7 HD2 PHE 7 -9.900 -15.014 -4.128
52 HE1 PHE 7 HE1 PHE 7 -11.278 -11.436 -1.046
53 HE2 PHE 7 HE2 PHE 7 -12.287 -14.491 -3.843
54 HZ PHE 7 HZ PHE 7 -12.979 -12.700 -2.301
55 HA PRO 8 HA PRO 8 -7.171 -16.167 -7.434
56 HB2 PRO 8 2HB PRO 8 -6.246 -18.519 -6.443
57 HB3 PRO 8 3HB PRO 8 -5.179 -17.227 -7.005
58 HG2 PRO 8 2HG PRO 8 -6.000 -17.925 -4.213
59 HG3 PRO 8 3HG PRO 8 -4.398 -17.481 -4.829
60 HD2 PRO 8 2HD PRO 8 -5.999 -15.724 -3.532
61 HD3 PRO 8 3HD PRO 8 -4.881 -15.227 -4.818
62 HA PRO 9 HA PRO 9 -10.954 -18.293 -6.725
63 HB2 PRO 9 2HB PRO 9 -10.748 -20.449 -8.361
64 HB3 PRO 9 3HB PRO 9 -10.987 -18.805 -8.964
65 HG2 PRO 9 2HG PRO 9 -8.463 -20.403 -8.770
66 HG3 PRO 9 3HG PRO 9 -9.035 -19.371 -10.094
67 HD2 PRO 9 2HD PRO 9 -7.180 -18.547 -8.302
68 HD3 PRO 9 3HD PRO 9 -8.343 -17.435 -9.052
69 H GLN 10 H GLN 10 -11.566 -19.410 -4.991
70 HA GLN 10 HA GLN 10 -11.675 -20.976 -3.346
71 HB2 GLN 10 2HB GLN 10 -11.423 -22.399 -5.634
72 HB3 GLN 10 3HB GLN 10 -9.994 -22.950 -4.768
73 HG2 GLN 10 2HG GLN 10 -11.802 -23.194 -2.814
74 HG3 GLN 10 3HG GLN 10 -12.852 -23.423 -4.212
75 HE21 GLN 10 1HE2 GLN 10 -10.703 -24.881 -2.097
76 HE22 GLN 10 2HE2 GLN 10 -10.474 -26.369 -2.945
77 H GLN 11 H GLN 11 -10.503 -20.158 -1.698
78 HA GLN 11 HA GLN 11 -7.785 -19.690 -1.593
79 HB2 GLN 11 2HB GLN 11 -8.084 -19.959 0.932
80 HB3 GLN 11 3HB GLN 11 -9.083 -18.755 0.129
81 HG2 GLN 11 2HG GLN 11 -11.010 -19.970 0.398
82 HG3 GLN 11 3HG GLN 11 -10.153 -21.507 0.512
83 HE21 GLN 11 1HE2 GLN 11 -10.342 -18.405 2.231
84 HE22 GLN 11 2HE2 GLN 11 -10.349 -19.091 3.817
85 HA PRO 12 HA PRO 12 -5.741 -23.556 -1.243
86 HB2 PRO 12 2HB PRO 12 -3.708 -22.945 0.450
87 HB3 PRO 12 3HB PRO 12 -3.766 -22.382 -1.225
88 HG2 PRO 12 2HG PRO 12 -4.500 -20.930 1.288
89 HG3 PRO 12 3HG PRO 12 -3.591 -20.345 -0.118
90 HD2 PRO 12 2HD PRO 12 -6.210 -19.774 0.265
91 HD3 PRO 12 3HD PRO 12 -5.501 -19.964 -1.351
92 H TYR 13 H TYR 13 -5.802 -25.394 -0.044
93 HA TYR 13 HA TYR 13 -7.501 -25.709 2.081
94 HB2 TYR 13 2HB TYR 13 -6.476 -27.534 0.682
95 HB3 TYR 13 3HB TYR 13 -5.019 -27.381 1.657
96 HD1 TYR 13 HD1 TYR 13 -4.795 -29.122 3.144
97 HD2 TYR 13 HD2 TYR 13 -8.681 -27.550 2.419
98 HE1 TYR 13 HE1 TYR 13 -5.730 -30.690 4.791
99 HE2 TYR 13 HE2 TYR 13 -9.627 -29.113 4.066
100 HH TYR 13 HH TYR 13 -7.925 -30.659 6.322
Start of MODEL 15
1 H1 LEU 1 H LEU 1 -2.711 2.418 -6.859
2 HA LEU 1 HA LEU 1 -0.974 1.040 -7.439
3 HB2 LEU 1 2HB LEU 1 0.202 3.690 -7.762
4 HB3 LEU 1 3HB LEU 1 1.374 2.461 -7.288
5 HG LEU 1 HG LEU 1 1.236 2.820 -9.735
6 HD11 LEU 1 1HD1 LEU 1 1.766 0.587 -8.505
7 HD12 LEU 1 2HD1 LEU 1 1.531 0.596 -10.252
8 HD13 LEU 1 3HD1 LEU 1 0.227 0.064 -9.190
9 HD21 LEU 1 1HD2 LEU 1 -1.332 3.174 -9.559
10 HD22 LEU 1 2HD2 LEU 1 -1.405 1.419 -9.715
11 HD23 LEU 1 3HD2 LEU 1 -0.657 2.388 -10.986
12 H GLY 2 H GLY 2 -0.262 -0.403 -6.017
13 HA2 GLY 2 2HA GLY 2 1.540 -0.679 -4.253
14 HA3 GLY 2 3HA GLY 2 0.670 0.584 -3.395
15 H GLN 3 H GLN 3 -1.962 -0.378 -4.107
16 HA GLN 3 HA GLN 3 -2.677 -1.862 -1.965
17 HB2 GLN 3 2HB GLN 3 -3.880 -2.199 -4.718
18 HB3 GLN 3 3HB GLN 3 -4.663 -2.565 -3.186
19 HG2 GLN 3 2HG GLN 3 -4.598 -0.208 -2.578
20 HG3 GLN 3 3HG GLN 3 -3.790 0.167 -4.099
21 HE21 GLN 3 1HE2 GLN 3 -6.774 -0.733 -2.579
22 HE22 GLN 3 2HE2 GLN 3 -7.796 -0.434 -3.939
23 H GLN 4 H GLN 4 -2.085 -3.769 -1.198
24 HA GLN 4 HA GLN 4 -0.437 -5.592 -2.450
25 HB2 GLN 4 2HB GLN 4 -1.367 -7.244 -0.730
26 HB3 GLN 4 3HB GLN 4 -0.622 -5.774 -0.116
27 HG2 GLN 4 2HG GLN 4 -2.490 -5.153 0.899
28 HG3 GLN 4 3HG GLN 4 -3.447 -5.405 -0.560
29 HE21 GLN 4 1HE2 GLN 4 -3.139 -6.305 2.553
30 HE22 GLN 4 2HE2 GLN 4 -3.865 -7.871 2.491
31 H GLN 5 H GLN 5 -0.713 -7.467 -3.606
32 HA GLN 5 HA GLN 5 -2.892 -7.628 -5.358
33 HB2 GLN 5 2HB GLN 5 -0.757 -8.580 -5.957
34 HB3 GLN 5 3HB GLN 5 -0.828 -9.699 -4.603
35 HG2 GLN 5 2HG GLN 5 -2.867 -10.700 -5.662
36 HG3 GLN 5 3HG GLN 5 -2.533 -9.702 -7.076
37 HE21 GLN 5 1HE2 GLN 5 -2.467 -12.689 -6.403
38 HE22 GLN 5 2HE2 GLN 5 -0.958 -13.214 -7.060
39 HA PRO 6 HA PRO 6 -5.969 -9.624 -2.908
40 HB2 PRO 6 2HB PRO 6 -7.567 -10.483 -4.927
41 HB3 PRO 6 3HB PRO 6 -7.484 -8.791 -4.421
42 HG2 PRO 6 2HG PRO 6 -6.132 -10.148 -6.721
43 HG3 PRO 6 3HG PRO 6 -6.936 -8.569 -6.669
44 HD2 PRO 6 2HD PRO 6 -4.244 -8.838 -6.542
45 HD3 PRO 6 3HD PRO 6 -5.114 -7.532 -5.712
46 H PHE 7 H PHE 7 -6.520 -11.662 -2.211
47 HA PHE 7 HA PHE 7 -4.789 -13.765 -2.529
48 HB2 PHE 7 2HB PHE 7 -6.778 -15.206 -1.758
49 HB3 PHE 7 3HB PHE 7 -6.261 -13.896 -0.702
50 HD1 PHE 7 HD1 PHE 7 -8.660 -14.559 -3.476
51 HD2 PHE 7 HD2 PHE 7 -7.855 -12.476 0.147
52 HE1 PHE 7 HE1 PHE 7 -10.947 -13.651 -3.494
53 HE2 PHE 7 HE2 PHE 7 -10.141 -11.566 0.136
54 HZ PHE 7 HZ PHE 7 -11.690 -12.153 -1.686
55 HA PRO 8 HA PRO 8 -5.580 -15.725 -6.373
56 HB2 PRO 8 2HB PRO 8 -5.244 -18.344 -5.741
57 HB3 PRO 8 3HB PRO 8 -3.900 -17.200 -5.843
58 HG2 PRO 8 2HG PRO 8 -5.359 -18.197 -3.427
59 HG3 PRO 8 3HG PRO 8 -3.617 -17.964 -3.665
60 HD2 PRO 8 2HD PRO 8 -5.155 -16.184 -2.323
61 HD3 PRO 8 3HD PRO 8 -3.740 -15.695 -3.277
62 HA PRO 9 HA PRO 9 -9.709 -17.188 -6.750
63 HB2 PRO 9 2HB PRO 9 -9.515 -19.033 -8.731
64 HB3 PRO 9 3HB PRO 9 -9.373 -17.295 -9.020
65 HG2 PRO 9 2HG PRO 9 -7.215 -19.351 -8.736
66 HG3 PRO 9 3HG PRO 9 -7.346 -18.019 -9.900
67 HD2 PRO 9 2HD PRO 9 -5.781 -17.878 -7.695
68 HD3 PRO 9 3HD PRO 9 -6.586 -16.455 -8.387
69 H GLN 10 H GLN 10 -11.033 -18.637 -5.796
70 HA GLN 10 HA GLN 10 -11.735 -20.438 -4.599
71 HB2 GLN 10 2HB GLN 10 -10.936 -21.504 -6.847
72 HB3 GLN 10 3HB GLN 10 -9.611 -22.127 -5.872
73 HG2 GLN 10 2HG GLN 10 -11.454 -23.008 -4.313
74 HG3 GLN 10 3HG GLN 10 -12.534 -22.729 -5.678
75 HE21 GLN 10 1HE2 GLN 10 -11.714 -25.220 -4.359
76 HE22 GLN 10 2HE2 GLN 10 -11.047 -26.212 -5.605
77 H GLN 11 H GLN 11 -11.182 -19.914 -2.539
78 HA GLN 11 HA GLN 11 -8.659 -19.754 -1.428
79 HB2 GLN 11 2HB GLN 11 -9.857 -20.307 0.763
80 HB3 GLN 11 3HB GLN 11 -10.436 -18.913 -0.139
81 HG2 GLN 11 2HG GLN 11 -12.463 -19.780 -0.339
82 HG3 GLN 11 3HG GLN 11 -11.823 -21.311 -0.934
83 HE21 GLN 11 1HE2 GLN 11 -12.351 -19.457 2.026
84 HE22 GLN 11 2HE2 GLN 11 -12.632 -20.824 3.044
85 HA PRO 12 HA PRO 12 -7.091 -23.829 -1.001
86 HB2 PRO 12 2HB PRO 12 -5.769 -23.658 1.364
87 HB3 PRO 12 3HB PRO 12 -5.192 -22.884 -0.117
88 HG2 PRO 12 2HG PRO 12 -6.697 -21.692 2.181
89 HG3 PRO 12 3HG PRO 12 -5.315 -21.034 1.286
90 HD2 PRO 12 2HD PRO 12 -7.862 -20.240 0.823
91 HD3 PRO 12 3HD PRO 12 -6.632 -20.298 -0.456
92 H TYR 13 H TYR 13 -7.295 -25.805 0.148
93 HA TYR 13 HA TYR 13 -9.753 -26.404 1.197
94 HB2 TYR 13 2HB TYR 13 -7.908 -28.004 0.460
95 HB3 TYR 13 3HB TYR 13 -7.244 -27.826 2.081
96 HD1 TYR 13 HD1 TYR 13 -10.504 -28.610 0.424
97 HD2 TYR 13 HD2 TYR 13 -7.861 -29.381 3.668
98 HE1 TYR 13 HE1 TYR 13 -12.018 -30.373 1.231
99 HE2 TYR 13 HE2 TYR 13 -9.367 -31.146 4.483
100 HH TYR 13 HH TYR 13 -12.337 -31.456 3.873
Start of MODEL 16
1 H1 LEU 1 H LEU 1 0.321 1.594 1.176
2 HA LEU 1 HA LEU 1 0.586 1.124 -1.315
3 HB2 LEU 1 2HB LEU 1 2.508 0.858 0.822
4 HB3 LEU 1 3HB LEU 1 2.929 -0.180 -0.538
5 HG LEU 1 HG LEU 1 4.068 1.964 -0.685
6 HD11 LEU 1 1HD1 LEU 1 3.461 2.539 -2.948
7 HD12 LEU 1 2HD1 LEU 1 1.900 1.738 -2.767
8 HD13 LEU 1 3HD1 LEU 1 3.386 0.789 -2.743
9 HD21 LEU 1 1HD2 LEU 1 1.859 3.051 0.426
10 HD22 LEU 1 2HD2 LEU 1 1.618 3.487 -1.266
11 HD23 LEU 1 3HD2 LEU 1 3.093 3.976 -0.430
12 H GLY 2 H GLY 2 0.977 -0.482 -2.869
13 HA2 GLY 2 2HA GLY 2 1.365 -2.770 -3.495
14 HA3 GLY 2 3HA GLY 2 0.665 -3.265 -1.961
15 H GLN 3 H GLN 3 0.025 -2.286 -5.228
16 HA GLN 3 HA GLN 3 -2.627 -1.781 -5.349
17 HB2 GLN 3 2HB GLN 3 -1.202 -3.712 -7.187
18 HB3 GLN 3 3HB GLN 3 -2.666 -2.811 -7.556
19 HG2 GLN 3 2HG GLN 3 -1.430 -0.718 -7.407
20 HG3 GLN 3 3HG GLN 3 0.039 -1.609 -7.012
21 HE21 GLN 3 1HE2 GLN 3 -2.244 -0.797 -9.501
22 HE22 GLN 3 2HE2 GLN 3 -1.290 -1.337 -10.836
23 H GLN 4 H GLN 4 -4.222 -2.699 -4.237
24 HA GLN 4 HA GLN 4 -4.268 -5.214 -3.105
25 HB2 GLN 4 2HB GLN 4 -6.811 -4.933 -3.180
26 HB3 GLN 4 3HB GLN 4 -5.887 -3.691 -2.346
27 HG2 GLN 4 2HG GLN 4 -6.285 -3.101 -5.165
28 HG3 GLN 4 3HG GLN 4 -7.796 -3.276 -4.274
29 HE21 GLN 4 1HE2 GLN 4 -6.374 -0.928 -5.461
30 HE22 GLN 4 2HE2 GLN 4 -6.274 0.220 -4.174
31 H GLN 5 H GLN 5 -4.109 -7.134 -4.041
32 HA GLN 5 HA GLN 5 -5.158 -7.502 -6.751
33 HB2 GLN 5 2HB GLN 5 -2.849 -8.149 -6.479
34 HB3 GLN 5 3HB GLN 5 -3.250 -9.158 -5.095
35 HG2 GLN 5 2HG GLN 5 -4.656 -10.546 -6.638
36 HG3 GLN 5 3HG GLN 5 -3.973 -9.620 -7.974
37 HE21 GLN 5 1HE2 GLN 5 -3.414 -12.051 -5.593
38 HE22 GLN 5 2HE2 GLN 5 -1.862 -12.554 -6.160
39 HA PRO 6 HA PRO 6 -8.628 -9.764 -5.236
40 HB2 PRO 6 2HB PRO 6 -9.306 -11.017 -7.547
41 HB3 PRO 6 3HB PRO 6 -9.611 -9.300 -7.260
42 HG2 PRO 6 2HG PRO 6 -7.388 -10.599 -8.786
43 HG3 PRO 6 3HG PRO 6 -8.345 -9.167 -9.206
44 HD2 PRO 6 2HD PRO 6 -5.855 -8.998 -8.155
45 HD3 PRO 6 3HD PRO 6 -7.111 -7.785 -7.835
46 H PHE 7 H PHE 7 -8.143 -11.382 -3.861
47 HA PHE 7 HA PHE 7 -6.322 -13.412 -4.144
48 HB2 PHE 7 2HB PHE 7 -7.868 -14.701 -2.540
49 HB3 PHE 7 3HB PHE 7 -7.252 -13.142 -2.004
50 HD1 PHE 7 HD1 PHE 7 -8.713 -11.497 -1.275
51 HD2 PHE 7 HD2 PHE 7 -10.204 -14.735 -3.601
52 HE1 PHE 7 HE1 PHE 7 -11.014 -10.727 -0.866
53 HE2 PHE 7 HE2 PHE 7 -12.507 -13.970 -3.196
54 HZ PHE 7 HZ PHE 7 -12.914 -11.963 -1.828
55 HA PRO 8 HA PRO 8 -7.838 -16.325 -7.053
56 HB2 PRO 8 2HB PRO 8 -7.054 -18.676 -5.944
57 HB3 PRO 8 3HB PRO 8 -5.921 -17.535 -6.678
58 HG2 PRO 8 2HG PRO 8 -6.590 -17.948 -3.789
59 HG3 PRO 8 3HG PRO 8 -5.006 -17.702 -4.547
60 HD2 PRO 8 2HD PRO 8 -6.343 -15.713 -3.286
61 HD3 PRO 8 3HD PRO 8 -5.284 -15.418 -4.681
62 HA PRO 9 HA PRO 9 -11.730 -18.029 -5.923
63 HB2 PRO 9 2HB PRO 9 -11.839 -20.308 -7.394
64 HB3 PRO 9 3HB PRO 9 -11.976 -18.697 -8.108
65 HG2 PRO 9 2HG PRO 9 -9.596 -20.507 -7.959
66 HG3 PRO 9 3HG PRO 9 -10.172 -19.525 -9.319
67 HD2 PRO 9 2HD PRO 9 -8.122 -18.751 -7.727
68 HD3 PRO 9 3HD PRO 9 -9.235 -17.592 -8.483
69 H GLN 10 H GLN 10 -11.079 -18.448 -3.695
70 HA GLN 10 HA GLN 10 -10.939 -19.762 -1.844
71 HB2 GLN 10 2HB GLN 10 -12.880 -20.861 -3.162
72 HB3 GLN 10 3HB GLN 10 -11.717 -22.129 -3.523
73 HG2 GLN 10 2HG GLN 10 -11.382 -22.477 -1.112
74 HG3 GLN 10 3HG GLN 10 -12.606 -21.252 -0.785
75 HE21 GLN 10 1HE2 GLN 10 -14.318 -22.274 -0.026
76 HE22 GLN 10 2HE2 GLN 10 -15.061 -23.667 -0.729
77 H GLN 11 H GLN 11 -8.788 -19.771 -1.394
78 HA GLN 11 HA GLN 11 -6.748 -20.992 -2.798
79 HB2 GLN 11 2HB GLN 11 -5.565 -21.064 -0.533
80 HB3 GLN 11 3HB GLN 11 -6.114 -19.493 -1.102
81 HG2 GLN 11 2HG GLN 11 -8.056 -20.937 0.547
82 HG3 GLN 11 3HG GLN 11 -6.564 -20.498 1.376
83 HE21 GLN 11 1HE2 GLN 11 -9.600 -19.479 0.560
84 HE22 GLN 11 2HE2 GLN 11 -9.395 -17.778 0.785
85 HA PRO 12 HA PRO 12 -7.074 -25.324 -2.188
86 HB2 PRO 12 2HB PRO 12 -4.462 -26.049 -2.030
87 HB3 PRO 12 3HB PRO 12 -5.228 -25.539 -3.539
88 HG2 PRO 12 2HG PRO 12 -3.508 -23.965 -1.662
89 HG3 PRO 12 3HG PRO 12 -3.480 -24.009 -3.434
90 HD2 PRO 12 2HD PRO 12 -4.666 -22.010 -2.045
91 HD3 PRO 12 3HD PRO 12 -5.263 -22.561 -3.624
92 H TYR 13 H TYR 13 -7.284 -26.784 -0.564
93 HA TYR 13 HA TYR 13 -7.259 -26.065 2.078
94 HB2 TYR 13 2HB TYR 13 -8.415 -28.050 1.387
95 HB3 TYR 13 3HB TYR 13 -6.919 -28.802 0.846
96 HD1 TYR 13 HD1 TYR 13 -7.667 -27.013 4.030
97 HD2 TYR 13 HD2 TYR 13 -6.676 -30.706 2.162
98 HE1 TYR 13 HE1 TYR 13 -7.397 -28.053 6.242
99 HE2 TYR 13 HE2 TYR 13 -6.405 -31.756 4.369
100 HH TYR 13 HH TYR 13 -7.480 -30.323 7.232
Start of MODEL 17
1 H1 LEU 1 H LEU 1 2.514 1.236 -2.667
2 HA LEU 1 HA LEU 1 0.400 2.417 -3.210
3 HB2 LEU 1 2HB LEU 1 2.426 4.019 -4.641
4 HB3 LEU 1 3HB LEU 1 0.893 3.778 -5.477
5 HG LEU 1 HG LEU 1 -0.239 4.696 -3.415
6 HD11 LEU 1 1HD1 LEU 1 1.179 4.665 -1.644
7 HD12 LEU 1 2HD1 LEU 1 1.518 6.296 -2.223
8 HD13 LEU 1 3HD1 LEU 1 2.606 4.970 -2.634
9 HD21 LEU 1 1HD2 LEU 1 1.559 6.815 -4.444
10 HD22 LEU 1 2HD2 LEU 1 -0.198 6.789 -4.299
11 HD23 LEU 1 3HD2 LEU 1 0.590 5.929 -5.622
12 H GLY 2 H GLY 2 -0.260 0.385 -3.791
13 HA2 GLY 2 2HA GLY 2 -0.783 -0.264 -6.381
14 HA3 GLY 2 3HA GLY 2 0.813 -0.948 -6.109
15 H GLN 3 H GLN 3 -2.542 -1.007 -5.028
16 HA GLN 3 HA GLN 3 -2.579 -2.896 -3.095
17 HB2 GLN 3 2HB GLN 3 -4.472 -2.869 -5.451
18 HB3 GLN 3 3HB GLN 3 -4.790 -3.562 -3.866
19 HG2 GLN 3 2HG GLN 3 -4.665 -1.348 -2.860
20 HG3 GLN 3 3HG GLN 3 -4.320 -0.645 -4.440
21 HE21 GLN 3 1HE2 GLN 3 -6.283 0.589 -3.591
22 HE22 GLN 3 2HE2 GLN 3 -7.824 -0.009 -4.092
23 H GLN 4 H GLN 4 -1.526 -4.755 -2.929
24 HA GLN 4 HA GLN 4 -0.336 -6.194 -4.959
25 HB2 GLN 4 2HB GLN 4 -0.459 -8.150 -3.312
26 HB3 GLN 4 3HB GLN 4 0.360 -6.691 -2.771
27 HG2 GLN 4 2HG GLN 4 -2.495 -6.754 -2.150
28 HG3 GLN 4 3HG GLN 4 -1.555 -8.032 -1.380
29 HE21 GLN 4 1HE2 GLN 4 -2.682 -4.989 -0.996
30 HE22 GLN 4 2HE2 GLN 4 -1.542 -4.391 0.156
31 H GLN 5 H GLN 5 -0.851 -8.202 -5.968
32 HA GLN 5 HA GLN 5 -3.374 -8.316 -7.137
33 HB2 GLN 5 2HB GLN 5 -1.472 -9.362 -8.190
34 HB3 GLN 5 3HB GLN 5 -1.277 -10.469 -6.837
35 HG2 GLN 5 2HG GLN 5 -3.543 -11.388 -7.389
36 HG3 GLN 5 3HG GLN 5 -3.499 -10.415 -8.858
37 HE21 GLN 5 1HE2 GLN 5 -3.523 -12.167 -10.227
38 HE22 GLN 5 2HE2 GLN 5 -2.179 -13.237 -10.404
39 HA PRO 6 HA PRO 6 -5.890 -10.163 -4.019
40 HB2 PRO 6 2HB PRO 6 -7.939 -10.965 -5.608
41 HB3 PRO 6 3HB PRO 6 -7.675 -9.276 -5.161
42 HG2 PRO 6 2HG PRO 6 -6.938 -10.704 -7.687
43 HG3 PRO 6 3HG PRO 6 -7.645 -9.091 -7.479
44 HD2 PRO 6 2HD PRO 6 -5.008 -9.475 -7.962
45 HD3 PRO 6 3HD PRO 6 -5.612 -8.127 -6.977
46 H PHE 7 H PHE 7 -6.099 -12.140 -3.115
47 HA PHE 7 HA PHE 7 -4.663 -14.326 -3.940
48 HB2 PHE 7 2HB PHE 7 -6.302 -15.658 -2.468
49 HB3 PHE 7 3HB PHE 7 -5.402 -14.348 -1.710
50 HD1 PHE 7 HD1 PHE 7 -8.674 -15.157 -3.264
51 HD2 PHE 7 HD2 PHE 7 -6.519 -12.646 -0.587
52 HE1 PHE 7 HE1 PHE 7 -10.789 -14.148 -2.514
53 HE2 PHE 7 HE2 PHE 7 -8.630 -11.633 0.168
54 HZ PHE 7 HZ PHE 7 -10.768 -12.384 -0.795
55 HA PRO 8 HA PRO 8 -6.819 -16.337 -7.188
56 HB2 PRO 8 2HB PRO 8 -6.372 -18.953 -6.614
57 HB3 PRO 8 3HB PRO 8 -5.112 -17.874 -7.223
58 HG2 PRO 8 2HG PRO 8 -5.663 -18.747 -4.413
59 HG3 PRO 8 3HG PRO 8 -4.109 -18.598 -5.254
60 HD2 PRO 8 2HD PRO 8 -5.015 -16.720 -3.528
61 HD3 PRO 8 3HD PRO 8 -4.010 -16.318 -4.934
62 HA PRO 9 HA PRO 9 -10.865 -17.620 -6.040
63 HB2 PRO 9 2HB PRO 9 -11.443 -19.518 -7.894
64 HB3 PRO 9 3HB PRO 9 -11.352 -17.795 -8.279
65 HG2 PRO 9 2HG PRO 9 -9.303 -19.939 -8.691
66 HG3 PRO 9 3HG PRO 9 -9.789 -18.630 -9.784
67 HD2 PRO 9 2HD PRO 9 -7.545 -18.508 -8.273
68 HD3 PRO 9 3HD PRO 9 -8.493 -17.067 -8.693
69 H GLN 10 H GLN 10 -11.990 -19.125 -4.842
70 HA GLN 10 HA GLN 10 -12.338 -20.909 -3.475
71 HB2 GLN 10 2HB GLN 10 -11.248 -21.991 -5.893
72 HB3 GLN 10 3HB GLN 10 -10.627 -22.907 -4.527
73 HG2 GLN 10 2HG GLN 10 -12.545 -23.980 -4.311
74 HG3 GLN 10 3HG GLN 10 -13.428 -22.460 -4.181
75 HE21 GLN 10 1HE2 GLN 10 -14.568 -21.719 -5.895
76 HE22 GLN 10 2HE2 GLN 10 -14.731 -22.571 -7.389
77 H GLN 11 H GLN 11 -11.427 -20.254 -1.588
78 HA GLN 11 HA GLN 11 -8.750 -19.892 -1.013
79 HB2 GLN 11 2HB GLN 11 -9.453 -20.391 1.393
80 HB3 GLN 11 3HB GLN 11 -10.290 -19.083 0.568
81 HG2 GLN 11 2HG GLN 11 -12.243 -20.319 0.324
82 HG3 GLN 11 3HG GLN 11 -11.419 -21.852 0.600
83 HE21 GLN 11 1HE2 GLN 11 -12.863 -19.070 2.056
84 HE22 GLN 11 2HE2 GLN 11 -12.843 -19.650 3.683
85 HA PRO 12 HA PRO 12 -6.866 -23.845 -0.741
86 HB2 PRO 12 2HB PRO 12 -5.117 -23.474 1.302
87 HB3 PRO 12 3HB PRO 12 -4.896 -22.750 -0.296
88 HG2 PRO 12 2HG PRO 12 -5.991 -21.523 2.205
89 HG3 PRO 12 3HG PRO 12 -4.859 -20.837 1.025
90 HD2 PRO 12 2HD PRO 12 -7.493 -20.212 1.050
91 HD3 PRO 12 3HD PRO 12 -6.540 -20.270 -0.447
92 H TYR 13 H TYR 13 -6.844 -25.784 0.417
93 HA TYR 13 HA TYR 13 -8.968 -26.388 2.037
94 HB2 TYR 13 2HB TYR 13 -7.373 -27.995 0.888
95 HB3 TYR 13 3HB TYR 13 -6.299 -27.779 2.266
96 HD1 TYR 13 HD1 TYR 13 -9.970 -28.373 1.824
97 HD2 TYR 13 HD2 TYR 13 -6.353 -29.553 3.727
98 HE1 TYR 13 HE1 TYR 13 -11.190 -30.129 3.040
99 HE2 TYR 13 HE2 TYR 13 -7.562 -31.312 4.948
100 HH TYR 13 HH TYR 13 -9.602 -32.102 5.498
Start of MODEL 18
1 H1 LEU 1 H LEU 1 0.693 0.022 0.037
2 HA LEU 1 HA LEU 1 1.408 1.316 -2.388
3 HB2 LEU 1 2HB LEU 1 3.653 0.226 -0.698
4 HB3 LEU 1 3HB LEU 1 3.799 0.720 -2.383
5 HG LEU 1 HG LEU 1 2.742 2.817 -0.644
6 HD11 LEU 1 1HD1 LEU 1 4.494 1.399 0.724
7 HD12 LEU 1 2HD1 LEU 1 4.498 3.162 0.770
8 HD13 LEU 1 3HD1 LEU 1 5.644 2.305 -0.260
9 HD21 LEU 1 1HD2 LEU 1 3.380 3.363 -2.856
10 HD22 LEU 1 2HD2 LEU 1 4.942 2.564 -2.681
11 HD23 LEU 1 3HD2 LEU 1 4.612 4.057 -1.801
12 H GLY 2 H GLY 2 1.173 -0.092 -4.016
13 HA2 GLY 2 2HA GLY 2 1.546 -2.206 -5.069
14 HA3 GLY 2 3HA GLY 2 1.575 -2.954 -3.479
15 H GLN 3 H GLN 3 -0.494 -1.561 -5.954
16 HA GLN 3 HA GLN 3 -2.987 -1.723 -4.925
17 HB2 GLN 3 2HB GLN 3 -2.223 -2.791 -7.647
18 HB3 GLN 3 3HB GLN 3 -3.816 -2.229 -7.158
19 HG2 GLN 3 2HG GLN 3 -2.941 0.024 -6.860
20 HG3 GLN 3 3HG GLN 3 -1.334 -0.534 -7.325
21 HE21 GLN 3 1HE2 GLN 3 -0.978 -1.186 -9.483
22 HE22 GLN 3 2HE2 GLN 3 -2.000 -0.634 -10.761
23 H GLN 4 H GLN 4 -3.797 -3.230 -3.621
24 HA GLN 4 HA GLN 4 -3.006 -5.861 -3.373
25 HB2 GLN 4 2HB GLN 4 -5.344 -6.214 -2.392
26 HB3 GLN 4 3HB GLN 4 -4.329 -4.993 -1.636
27 HG2 GLN 4 2HG GLN 4 -5.759 -3.360 -2.109
28 HG3 GLN 4 3HG GLN 4 -5.971 -3.910 -3.770
29 HE21 GLN 4 1HE2 GLN 4 -7.662 -3.190 -1.181
30 HE22 GLN 4 2HE2 GLN 4 -8.953 -4.333 -1.285
31 H GLN 5 H GLN 5 -3.356 -7.700 -4.455
32 HA GLN 5 HA GLN 5 -5.042 -7.571 -6.845
33 HB2 GLN 5 2HB GLN 5 -2.773 -8.288 -7.246
34 HB3 GLN 5 3HB GLN 5 -2.897 -9.522 -5.999
35 HG2 GLN 5 2HG GLN 5 -4.699 -10.593 -7.374
36 HG3 GLN 5 3HG GLN 5 -4.296 -9.453 -8.657
37 HE21 GLN 5 1HE2 GLN 5 -1.873 -9.388 -9.148
38 HE22 GLN 5 2HE2 GLN 5 -1.093 -10.924 -9.287
39 HA PRO 6 HA PRO 6 -8.185 -10.018 -4.951
40 HB2 PRO 6 2HB PRO 6 -9.452 -10.829 -7.211
41 HB3 PRO 6 3HB PRO 6 -9.585 -9.186 -6.572
42 HG2 PRO 6 2HG PRO 6 -7.855 -10.223 -8.784
43 HG3 PRO 6 3HG PRO 6 -8.802 -8.726 -8.712
44 HD2 PRO 6 2HD PRO 6 -6.130 -8.782 -8.275
45 HD3 PRO 6 3HD PRO 6 -7.207 -7.628 -7.461
46 H PHE 7 H PHE 7 -7.163 -11.775 -4.039
47 HA PHE 7 HA PHE 7 -5.740 -13.784 -5.246
48 HB2 PHE 7 2HB PHE 7 -6.637 -15.247 -3.328
49 HB3 PHE 7 3HB PHE 7 -5.754 -13.786 -2.897
50 HD1 PHE 7 HD1 PHE 7 -9.155 -15.197 -3.273
51 HD2 PHE 7 HD2 PHE 7 -6.745 -12.122 -1.584
52 HE1 PHE 7 HE1 PHE 7 -11.066 -14.449 -1.915
53 HE2 PHE 7 HE2 PHE 7 -8.652 -11.370 -0.223
54 HZ PHE 7 HZ PHE 7 -10.816 -12.534 -0.386
55 HA PRO 8 HA PRO 8 -8.461 -16.246 -7.650
56 HB2 PRO 8 2HB PRO 8 -7.480 -18.741 -7.219
57 HB3 PRO 8 3HB PRO 8 -6.639 -17.533 -8.198
58 HG2 PRO 8 2HG PRO 8 -6.172 -18.320 -5.347
59 HG3 PRO 8 3HG PRO 8 -4.988 -18.005 -6.629
60 HD2 PRO 8 2HD PRO 8 -5.593 -16.178 -4.723
61 HD3 PRO 8 3HD PRO 8 -5.134 -15.718 -6.376
62 HA PRO 9 HA PRO 9 -11.730 -18.010 -5.295
63 HB2 PRO 9 2HB PRO 9 -12.557 -20.067 -6.862
64 HB3 PRO 9 3HB PRO 9 -12.844 -18.371 -7.272
65 HG2 PRO 9 2HG PRO 9 -10.725 -20.232 -8.278
66 HG3 PRO 9 3HG PRO 9 -11.708 -19.064 -9.180
67 HD2 PRO 9 2HD PRO 9 -9.155 -18.553 -8.438
68 HD3 PRO 9 3HD PRO 9 -10.387 -17.280 -8.557
69 H GLN 10 H GLN 10 -12.560 -20.059 -4.304
70 HA GLN 10 HA GLN 10 -12.260 -21.875 -2.969
71 HB2 GLN 10 2HB GLN 10 -10.837 -22.450 -5.405
72 HB3 GLN 10 3HB GLN 10 -10.001 -23.175 -4.037
73 HG2 GLN 10 2HG GLN 10 -11.546 -24.752 -3.798
74 HG3 GLN 10 3HG GLN 10 -12.868 -23.594 -3.926
75 HE21 GLN 10 1HE2 GLN 10 -10.749 -25.733 -5.668
76 HE22 GLN 10 2HE2 GLN 10 -11.656 -25.762 -7.138
77 H GLN 11 H GLN 11 -11.611 -20.998 -1.065
78 HA GLN 11 HA GLN 11 -9.215 -19.753 -0.482
79 HB2 GLN 11 2HB GLN 11 -9.684 -20.518 1.912
80 HB3 GLN 11 3HB GLN 11 -10.926 -19.558 1.120
81 HG2 GLN 11 2HG GLN 11 -11.191 -22.471 0.820
82 HG3 GLN 11 3HG GLN 11 -11.399 -21.845 2.454
83 HE21 GLN 11 1HE2 GLN 11 -12.907 -22.478 -0.439
84 HE22 GLN 11 2HE2 GLN 11 -14.338 -21.537 -0.212
85 HA PRO 12 HA PRO 12 -6.091 -22.829 -0.309
86 HB2 PRO 12 2HB PRO 12 -4.556 -21.930 1.742
87 HB3 PRO 12 3HB PRO 12 -4.610 -21.137 0.163
88 HG2 PRO 12 2HG PRO 12 -6.037 -20.417 2.694
89 HG3 PRO 12 3HG PRO 12 -5.217 -19.358 1.531
90 HD2 PRO 12 2HD PRO 12 -7.907 -19.672 1.572
91 HD3 PRO 12 3HD PRO 12 -7.004 -19.366 0.075
92 H TYR 13 H TYR 13 -5.435 -24.687 0.774
93 HA TYR 13 HA TYR 13 -7.206 -25.994 2.404
94 HB2 TYR 13 2HB TYR 13 -5.300 -27.051 1.201
95 HB3 TYR 13 3HB TYR 13 -4.209 -26.402 2.420
96 HD1 TYR 13 HD1 TYR 13 -7.408 -28.348 2.341
97 HD2 TYR 13 HD2 TYR 13 -3.532 -27.892 4.036
98 HE1 TYR 13 HE1 TYR 13 -7.787 -30.342 3.730
99 HE2 TYR 13 HE2 TYR 13 -3.900 -29.886 5.428
100 HH TYR 13 HH TYR 13 -6.890 -31.245 5.938
Start of MODEL 19
1 H1 LEU 1 H LEU 1 0.647 1.203 -0.652
2 HA LEU 1 HA LEU 1 -0.257 2.076 -2.552
3 HB2 LEU 1 2HB LEU 1 2.582 2.388 -3.509
4 HB3 LEU 1 3HB LEU 1 1.155 3.189 -4.161
5 HG LEU 1 HG LEU 1 1.097 4.013 -1.566
6 HD11 LEU 1 1HD1 LEU 1 3.887 4.619 -2.015
7 HD12 LEU 1 2HD1 LEU 1 3.619 2.887 -1.825
8 HD13 LEU 1 3HD1 LEU 1 3.083 4.004 -0.570
9 HD21 LEU 1 1HD2 LEU 1 1.932 5.118 -4.151
10 HD22 LEU 1 2HD2 LEU 1 2.553 5.983 -2.745
11 HD23 LEU 1 3HD2 LEU 1 0.815 5.759 -2.947
12 H GLY 2 H GLY 2 -0.882 1.396 -4.636
13 HA2 GLY 2 2HA GLY 2 -1.023 -0.031 -6.451
14 HA3 GLY 2 3HA GLY 2 0.549 -0.683 -6.010
15 H GLN 3 H GLN 3 -2.899 -0.810 -5.257
16 HA GLN 3 HA GLN 3 -3.082 -2.752 -3.386
17 HB2 GLN 3 2HB GLN 3 -4.764 -2.678 -5.897
18 HB3 GLN 3 3HB GLN 3 -5.210 -3.418 -4.365
19 HG2 GLN 3 2HG GLN 3 -5.199 -1.232 -3.293
20 HG3 GLN 3 3HG GLN 3 -4.726 -0.482 -4.817
21 HE21 GLN 3 1HE2 GLN 3 -7.090 -0.046 -3.155
22 HE22 GLN 3 2HE2 GLN 3 -8.451 -0.351 -4.174
23 H GLN 4 H GLN 4 -1.963 -4.574 -3.193
24 HA GLN 4 HA GLN 4 -0.628 -5.953 -5.173
25 HB2 GLN 4 2HB GLN 4 -0.796 -7.937 -3.566
26 HB3 GLN 4 3HB GLN 4 -0.043 -6.469 -2.958
27 HG2 GLN 4 2HG GLN 4 -1.553 -6.252 -1.349
28 HG3 GLN 4 3HG GLN 4 -2.891 -6.482 -2.473
29 HE21 GLN 4 1HE2 GLN 4 -3.972 -8.349 -2.446
30 HE22 GLN 4 2HE2 GLN 4 -3.541 -9.731 -1.503
31 H GLN 5 H GLN 5 -1.036 -7.951 -6.244
32 HA GLN 5 HA GLN 5 -3.473 -8.106 -7.567
33 HB2 GLN 5 2HB GLN 5 -1.491 -9.121 -8.494
34 HB3 GLN 5 3HB GLN 5 -1.371 -10.231 -7.136
35 HG2 GLN 5 2HG GLN 5 -3.582 -11.179 -7.842
36 HG3 GLN 5 3HG GLN 5 -3.453 -10.198 -9.301
37 HE21 GLN 5 1HE2 GLN 5 -3.687 -12.860 -9.574
38 HE22 GLN 5 2HE2 GLN 5 -2.193 -13.556 -10.091
39 HA PRO 6 HA PRO 6 -6.166 -10.003 -4.633
40 HB2 PRO 6 2HB PRO 6 -8.093 -10.826 -6.359
41 HB3 PRO 6 3HB PRO 6 -7.884 -9.135 -5.889
42 HG2 PRO 6 2HG PRO 6 -6.958 -10.541 -8.365
43 HG3 PRO 6 3HG PRO 6 -7.700 -8.939 -8.199
44 HD2 PRO 6 2HD PRO 6 -5.032 -9.284 -8.505
45 HD3 PRO 6 3HD PRO 6 -5.720 -7.949 -7.558
46 H PHE 7 H PHE 7 -6.000 -11.929 -3.687
47 HA PHE 7 HA PHE 7 -4.651 -14.111 -4.653
48 HB2 PHE 7 2HB PHE 7 -6.043 -15.432 -2.937
49 HB3 PHE 7 3HB PHE 7 -5.072 -14.089 -2.342
50 HD1 PHE 7 HD1 PHE 7 -6.055 -12.364 -1.130
51 HD2 PHE 7 HD2 PHE 7 -8.511 -15.005 -3.389
52 HE1 PHE 7 HE1 PHE 7 -8.060 -11.366 -0.110
53 HE2 PHE 7 HE2 PHE 7 -10.520 -14.012 -2.374
54 HZ PHE 7 HZ PHE 7 -10.296 -12.189 -0.733
55 HA PRO 8 HA PRO 8 -7.198 -16.239 -7.522
56 HB2 PRO 8 2HB PRO 8 -6.625 -18.831 -6.957
57 HB3 PRO 8 3HB PRO 8 -5.482 -17.748 -7.761
58 HG2 PRO 8 2HG PRO 8 -5.620 -18.558 -4.882
59 HG3 PRO 8 3HG PRO 8 -4.201 -18.406 -5.935
60 HD2 PRO 8 2HD PRO 8 -4.895 -16.500 -4.142
61 HD3 PRO 8 3HD PRO 8 -4.103 -16.117 -5.684
62 HA PRO 9 HA PRO 9 -11.019 -17.558 -5.792
63 HB2 PRO 9 2HB PRO 9 -11.812 -19.511 -7.503
64 HB3 PRO 9 3HB PRO 9 -11.809 -17.797 -7.936
65 HG2 PRO 9 2HG PRO 9 -9.796 -19.917 -8.582
66 HG3 PRO 9 3HG PRO 9 -10.455 -18.644 -9.626
67 HD2 PRO 9 2HD PRO 9 -8.026 -18.448 -8.446
68 HD3 PRO 9 3HD PRO 9 -9.050 -17.034 -8.762
69 H GLN 10 H GLN 10 -12.067 -19.179 -4.581
70 HA GLN 10 HA GLN 10 -12.197 -20.944 -3.154
71 HB2 GLN 10 2HB GLN 10 -11.259 -21.992 -5.618
72 HB3 GLN 10 3HB GLN 10 -10.362 -22.794 -4.336
73 HG2 GLN 10 2HG GLN 10 -12.090 -24.174 -4.183
74 HG3 GLN 10 3HG GLN 10 -12.947 -22.843 -3.407
75 HE21 GLN 10 1HE2 GLN 10 -13.960 -21.278 -5.013
76 HE22 GLN 10 2HE2 GLN 10 -14.796 -21.991 -6.346
77 H GLN 11 H GLN 11 -11.223 -20.158 -1.344
78 HA GLN 11 HA GLN 11 -8.534 -19.633 -0.948
79 HB2 GLN 11 2HB GLN 11 -9.073 -20.039 1.514
80 HB3 GLN 11 3HB GLN 11 -10.029 -18.821 0.679
81 HG2 GLN 11 2HG GLN 11 -11.936 -20.077 0.731
82 HG3 GLN 11 3HG GLN 11 -11.060 -21.605 0.784
83 HE21 GLN 11 1HE2 GLN 11 -13.120 -21.341 2.447
84 HE22 GLN 11 2HE2 GLN 11 -12.588 -21.121 4.076
85 HA PRO 12 HA PRO 12 -6.455 -23.482 -0.610
86 HB2 PRO 12 2HB PRO 12 -4.610 -22.936 1.306
87 HB3 PRO 12 3HB PRO 12 -4.516 -22.281 -0.334
88 HG2 PRO 12 2HG PRO 12 -5.521 -20.983 2.169
89 HG3 PRO 12 3HG PRO 12 -4.492 -20.306 0.894
90 HD2 PRO 12 2HD PRO 12 -7.147 -19.797 1.047
91 HD3 PRO 12 3HD PRO 12 -6.280 -19.886 -0.499
92 H TYR 13 H TYR 13 -7.330 -25.253 0.250
93 HA TYR 13 HA TYR 13 -8.874 -25.463 2.503
94 HB2 TYR 13 2HB TYR 13 -8.819 -27.265 0.924
95 HB3 TYR 13 3HB TYR 13 -7.102 -27.534 1.202
96 HD1 TYR 13 HD1 TYR 13 -10.481 -28.045 2.522
97 HD2 TYR 13 HD2 TYR 13 -6.331 -28.724 3.172
98 HE1 TYR 13 HE1 TYR 13 -11.029 -29.711 4.247
99 HE2 TYR 13 HE2 TYR 13 -6.868 -30.393 4.897
100 HH TYR 13 HH TYR 13 -9.242 -30.674 6.508
Start of MODEL 20
1 H1 LEU 1 H LEU 1 2.406 -3.311 -5.219
2 HA LEU 1 HA LEU 1 2.551 -3.686 -2.972
3 HB2 LEU 1 2HB LEU 1 3.994 -1.917 -1.789
4 HB3 LEU 1 3HB LEU 1 4.709 -2.863 -3.094
5 HG LEU 1 HG LEU 1 3.531 -0.288 -3.905
6 HD11 LEU 1 1HD1 LEU 1 4.635 0.098 -1.629
7 HD12 LEU 1 2HD1 LEU 1 5.148 1.115 -2.975
8 HD13 LEU 1 3HD1 LEU 1 6.156 -0.236 -2.457
9 HD21 LEU 1 1HD2 LEU 1 5.440 -0.219 -5.333
10 HD22 LEU 1 2HD2 LEU 1 4.803 -1.864 -5.373
11 HD23 LEU 1 3HD2 LEU 1 6.242 -1.497 -4.420
12 H GLY 2 H GLY 2 0.318 -3.487 -2.513
13 HA2 GLY 2 2HA GLY 2 -0.684 -2.354 -0.441
14 HA3 GLY 2 3HA GLY 2 -0.511 -0.889 -1.396
15 H GLN 3 H GLN 3 -1.373 -1.528 -3.840
16 HA GLN 3 HA GLN 3 -4.064 -1.287 -3.822
17 HB2 GLN 3 2HB GLN 3 -2.539 -2.897 -5.875
18 HB3 GLN 3 3HB GLN 3 -4.099 -2.121 -6.110
19 HG2 GLN 3 2HG GLN 3 -3.068 0.066 -5.817
20 HG3 GLN 3 3HG GLN 3 -1.503 -0.702 -5.555
21 HE21 GLN 3 1HE2 GLN 3 -3.277 0.883 -7.758
22 HE22 GLN 3 2HE2 GLN 3 -2.600 0.251 -9.216
23 H GLN 4 H GLN 4 -5.660 -2.459 -3.012
24 HA GLN 4 HA GLN 4 -5.444 -4.979 -1.910
25 HB2 GLN 4 2HB GLN 4 -7.985 -5.060 -2.211
26 HB3 GLN 4 3HB GLN 4 -7.325 -3.717 -1.287
27 HG2 GLN 4 2HG GLN 4 -7.533 -3.099 -4.109
28 HG3 GLN 4 3HG GLN 4 -9.084 -3.555 -3.406
29 HE21 GLN 4 1HE2 GLN 4 -10.110 -1.674 -3.196
30 HE22 GLN 4 2HE2 GLN 4 -9.511 -0.303 -2.332
31 H GLN 5 H GLN 5 -4.691 -6.700 -2.983
32 HA GLN 5 HA GLN 5 -5.439 -7.181 -5.742
33 HB2 GLN 5 2HB GLN 5 -3.129 -7.583 -5.032
34 HB3 GLN 5 3HB GLN 5 -3.686 -8.775 -3.864
35 HG2 GLN 5 2HG GLN 5 -3.064 -10.159 -5.549
36 HG3 GLN 5 3HG GLN 5 -4.742 -9.877 -6.011
37 HE21 GLN 5 1HE2 GLN 5 -3.441 -10.700 -8.023
38 HE22 GLN 5 2HE2 GLN 5 -2.918 -9.447 -9.092
39 HA PRO 6 HA PRO 6 -8.856 -9.801 -4.772
40 HB2 PRO 6 2HB PRO 6 -9.089 -11.021 -7.186
41 HB3 PRO 6 3HB PRO 6 -9.597 -9.352 -6.900
42 HG2 PRO 6 2HG PRO 6 -7.071 -10.377 -8.137
43 HG3 PRO 6 3HG PRO 6 -8.098 -9.025 -8.648
44 HD2 PRO 6 2HD PRO 6 -5.802 -8.666 -7.259
45 HD3 PRO 6 3HD PRO 6 -7.202 -7.589 -7.083
46 H PHE 7 H PHE 7 -8.748 -11.590 -3.582
47 HA PHE 7 HA PHE 7 -6.651 -13.345 -3.386
48 HB2 PHE 7 2HB PHE 7 -8.421 -14.990 -2.499
49 HB3 PHE 7 3HB PHE 7 -8.254 -13.445 -1.671
50 HD1 PHE 7 HD1 PHE 7 -10.096 -12.064 -1.377
51 HD2 PHE 7 HD2 PHE 7 -10.260 -15.186 -4.265
52 HE1 PHE 7 HE1 PHE 7 -12.494 -11.624 -1.713
53 HE2 PHE 7 HE2 PHE 7 -12.657 -14.750 -4.606
54 HZ PHE 7 HZ PHE 7 -13.777 -12.966 -3.330
55 HA PRO 8 HA PRO 8 -6.687 -16.042 -6.845
56 HB2 PRO 8 2HB PRO 8 -5.960 -18.402 -5.717
57 HB3 PRO 8 3HB PRO 8 -4.836 -17.056 -5.937
58 HG2 PRO 8 2HG PRO 8 -6.335 -17.890 -3.484
59 HG3 PRO 8 3HG PRO 8 -4.647 -17.371 -3.641
60 HD2 PRO 8 2HD PRO 8 -6.603 -15.719 -2.761
61 HD3 PRO 8 3HD PRO 8 -5.207 -15.136 -3.690
62 HA PRO 9 HA PRO 9 -10.433 -18.313 -7.226
63 HB2 PRO 9 2HB PRO 9 -9.716 -20.395 -8.814
64 HB3 PRO 9 3HB PRO 9 -9.854 -18.736 -9.409
65 HG2 PRO 9 2HG PRO 9 -7.408 -20.261 -8.602
66 HG3 PRO 9 3HG PRO 9 -7.652 -19.196 -9.999
67 HD2 PRO 9 2HD PRO 9 -6.370 -18.386 -7.756
68 HD3 PRO 9 3HD PRO 9 -7.338 -17.282 -8.753
69 H GLN 10 H GLN 10 -10.840 -19.048 -5.133
70 HA GLN 10 HA GLN 10 -11.182 -20.573 -3.481
71 HB2 GLN 10 2HB GLN 10 -11.226 -22.043 -5.951
72 HB3 GLN 10 3HB GLN 10 -10.526 -23.042 -4.683
73 HG2 GLN 10 2HG GLN 10 -12.518 -22.512 -3.276
74 HG3 GLN 10 3HG GLN 10 -13.226 -21.721 -4.684
75 HE21 GLN 10 1HE2 GLN 10 -11.446 -24.749 -4.164
76 HE22 GLN 10 2HE2 GLN 10 -12.617 -25.766 -4.924
77 H GLN 11 H GLN 11 -9.565 -20.129 -2.058
78 HA GLN 11 HA GLN 11 -6.851 -20.646 -2.375
79 HB2 GLN 11 2HB GLN 11 -6.616 -20.224 -0.058
80 HB3 GLN 11 3HB GLN 11 -7.970 -19.234 -0.589
81 HG2 GLN 11 2HG GLN 11 -9.170 -21.589 0.183
82 HG3 GLN 11 3HG GLN 11 -7.878 -21.378 1.364
83 HE21 GLN 11 1HE2 GLN 11 -10.998 -20.901 1.019
84 HE22 GLN 11 2HE2 GLN 11 -11.223 -19.442 1.916
85 HA PRO 12 HA PRO 12 -6.331 -24.978 -1.898
86 HB2 PRO 12 2HB PRO 12 -3.916 -25.076 -0.662
87 HB3 PRO 12 3HB PRO 12 -4.107 -24.637 -2.363
88 HG2 PRO 12 2HG PRO 12 -3.745 -22.863 0.021
89 HG3 PRO 12 3HG PRO 12 -2.993 -22.752 -1.582
90 HD2 PRO 12 2HD PRO 12 -5.097 -21.213 -0.849
91 HD3 PRO 12 3HD PRO 12 -4.847 -21.756 -2.521
92 H TYR 13 H TYR 13 -7.318 -26.302 -0.520
93 HA TYR 13 HA TYR 13 -8.257 -27.115 1.397
94 HB2 TYR 13 2HB TYR 13 -6.321 -28.173 1.990
95 HB3 TYR 13 3HB TYR 13 -5.374 -26.690 1.966
96 HD1 TYR 13 HD1 TYR 13 -7.783 -28.660 3.970
97 HD2 TYR 13 HD2 TYR 13 -4.970 -25.468 3.953
98 HE1 TYR 13 HE1 TYR 13 -7.887 -28.564 6.426
99 HE2 TYR 13 HE2 TYR 13 -5.065 -25.363 6.409
100 HH TYR 13 HH TYR 13 -6.490 -25.985 8.223
Start of MODEL 21
1 H1 LEU 1 H LEU 1 2.314 0.686 -8.009
2 HA LEU 1 HA LEU 1 -0.366 -0.533 -8.079
3 HB2 LEU 1 2HB LEU 1 0.978 -2.571 -7.211
4 HB3 LEU 1 3HB LEU 1 1.025 -2.156 -8.923
5 HG LEU 1 HG LEU 1 3.167 -1.029 -7.214
6 HD11 LEU 1 1HD1 LEU 1 3.487 -3.070 -6.270
7 HD12 LEU 1 2HD1 LEU 1 4.353 -3.334 -7.783
8 HD13 LEU 1 3HD1 LEU 1 2.705 -3.932 -7.595
9 HD21 LEU 1 1HD2 LEU 1 4.100 -0.691 -9.200
10 HD22 LEU 1 2HD2 LEU 1 2.617 -1.291 -9.943
11 HD23 LEU 1 3HD2 LEU 1 3.953 -2.398 -9.619
12 H GLY 2 H GLY 2 -1.285 0.598 -6.375
13 HA2 GLY 2 2HA GLY 2 0.048 0.387 -3.761
14 HA3 GLY 2 3HA GLY 2 -1.243 1.510 -4.161
15 H GLN 3 H GLN 3 -3.322 0.273 -4.926
16 HA GLN 3 HA GLN 3 -4.546 -0.885 -2.813
17 HB2 GLN 3 2HB GLN 3 -5.033 -1.695 -5.684
18 HB3 GLN 3 3HB GLN 3 -6.170 -1.847 -4.351
19 HG2 GLN 3 2HG GLN 3 -6.255 0.577 -4.133
20 HG3 GLN 3 3HG GLN 3 -5.096 0.740 -5.451
21 HE21 GLN 3 1HE2 GLN 3 -6.698 2.030 -6.505
22 HE22 GLN 3 2HE2 GLN 3 -7.998 1.276 -7.357
23 H GLN 4 H GLN 4 -4.177 -2.630 -1.631
24 HA GLN 4 HA GLN 4 -2.267 -4.557 -2.125
25 HB2 GLN 4 2HB GLN 4 -3.605 -5.961 -0.454
26 HB3 GLN 4 3HB GLN 4 -3.039 -4.386 0.087
27 HG2 GLN 4 2HG GLN 4 -5.125 -3.529 0.238
28 HG3 GLN 4 3HG GLN 4 -5.737 -4.489 -1.108
29 HE21 GLN 4 1HE2 GLN 4 -6.407 -3.974 1.892
30 HE22 GLN 4 2HE2 GLN 4 -6.802 -5.556 2.463
31 H GLN 5 H GLN 5 -2.274 -6.645 -2.932
32 HA GLN 5 HA GLN 5 -4.142 -7.140 -5.048
33 HB2 GLN 5 2HB GLN 5 -1.830 -7.752 -5.366
34 HB3 GLN 5 3HB GLN 5 -1.862 -8.784 -3.943
35 HG2 GLN 5 2HG GLN 5 -3.589 -10.176 -5.111
36 HG3 GLN 5 3HG GLN 5 -3.271 -9.223 -6.560
37 HE21 GLN 5 1HE2 GLN 5 -0.954 -9.137 -7.230
38 HE22 GLN 5 2HE2 GLN 5 -0.032 -10.590 -7.088
39 HA PRO 6 HA PRO 6 -7.099 -9.476 -2.756
40 HB2 PRO 6 2HB PRO 6 -8.313 -10.712 -4.846
41 HB3 PRO 6 3HB PRO 6 -8.559 -9.003 -4.466
42 HG2 PRO 6 2HG PRO 6 -6.768 -10.248 -6.515
43 HG3 PRO 6 3HG PRO 6 -7.817 -8.826 -6.662
44 HD2 PRO 6 2HD PRO 6 -5.147 -8.630 -6.259
45 HD3 PRO 6 3HD PRO 6 -6.300 -7.441 -5.618
46 H PHE 7 H PHE 7 -7.526 -11.594 -2.086
47 HA PHE 7 HA PHE 7 -5.444 -13.374 -1.939
48 HB2 PHE 7 2HB PHE 7 -7.282 -15.117 -1.479
49 HB3 PHE 7 3HB PHE 7 -7.208 -13.710 -0.424
50 HD1 PHE 7 HD1 PHE 7 -8.867 -14.857 -3.559
51 HD2 PHE 7 HD2 PHE 7 -9.149 -12.558 0.013
52 HE1 PHE 7 HE1 PHE 7 -11.221 -14.359 -4.070
53 HE2 PHE 7 HE2 PHE 7 -11.505 -12.058 -0.492
54 HZ PHE 7 HZ PHE 7 -12.544 -12.959 -2.535
55 HA PRO 8 HA PRO 8 -5.118 -15.541 -5.739
56 HB2 PRO 8 2HB PRO 8 -4.489 -18.044 -4.898
57 HB3 PRO 8 3HB PRO 8 -3.358 -16.688 -4.808
58 HG2 PRO 8 2HG PRO 8 -5.086 -17.859 -2.662
59 HG3 PRO 8 3HG PRO 8 -3.394 -17.334 -2.575
60 HD2 PRO 8 2HD PRO 8 -5.440 -15.813 -1.662
61 HD3 PRO 8 3HD PRO 8 -3.964 -15.111 -2.355
62 HA PRO 9 HA PRO 9 -8.791 -17.706 -6.813
63 HB2 PRO 9 2HB PRO 9 -7.904 -19.541 -8.607
64 HB3 PRO 9 3HB PRO 9 -7.996 -17.813 -8.966
65 HG2 PRO 9 2HG PRO 9 -5.630 -19.455 -8.151
66 HG3 PRO 9 3HG PRO 9 -5.743 -18.197 -9.396
67 HD2 PRO 9 2HD PRO 9 -4.694 -17.730 -6.943
68 HD3 PRO 9 3HD PRO 9 -5.568 -16.486 -7.861
69 H GLN 10 H GLN 10 -9.949 -19.142 -5.703
70 HA GLN 10 HA GLN 10 -10.564 -20.987 -4.524
71 HB2 GLN 10 2HB GLN 10 -9.540 -22.025 -6.696
72 HB3 GLN 10 3HB GLN 10 -8.232 -22.511 -5.626
73 HG2 GLN 10 2HG GLN 10 -10.802 -23.157 -4.490
74 HG3 GLN 10 3HG GLN 10 -10.611 -23.862 -6.095
75 HE21 GLN 10 1HE2 GLN 10 -8.717 -25.175 -6.474
76 HE22 GLN 10 2HE2 GLN 10 -8.022 -26.064 -5.166
77 H GLN 11 H GLN 11 -10.179 -20.375 -2.450
78 HA GLN 11 HA GLN 11 -7.751 -19.958 -1.206
79 HB2 GLN 11 2HB GLN 11 -8.901 -20.074 0.861
80 HB3 GLN 11 3HB GLN 11 -10.071 -19.470 -0.305
81 HG2 GLN 11 2HG GLN 11 -10.830 -21.895 -0.534
82 HG3 GLN 11 3HG GLN 11 -9.900 -22.191 0.934
83 HE21 GLN 11 1HE2 GLN 11 -10.592 -21.313 2.876
84 HE22 GLN 11 2HE2 GLN 11 -12.184 -20.675 3.087
85 HA PRO 12 HA PRO 12 -5.838 -23.868 -0.650
86 HB2 PRO 12 2HB PRO 12 -4.567 -23.490 1.719
87 HB3 PRO 12 3HB PRO 12 -4.040 -22.728 0.214
88 HG2 PRO 12 2HG PRO 12 -5.673 -21.583 2.447
89 HG3 PRO 12 3HG PRO 12 -4.341 -20.842 1.540
90 HD2 PRO 12 2HD PRO 12 -6.941 -20.292 1.021
91 HD3 PRO 12 3HD PRO 12 -5.695 -20.293 -0.243
92 H TYR 13 H TYR 13 -7.828 -25.065 -0.384
93 HA TYR 13 HA TYR 13 -9.344 -25.368 1.877
94 HB2 TYR 13 2HB TYR 13 -9.668 -26.461 -0.401
95 HB3 TYR 13 3HB TYR 13 -8.550 -27.707 0.144
96 HD1 TYR 13 HD1 TYR 13 -9.744 -29.645 0.539
97 HD2 TYR 13 HD2 TYR 13 -11.357 -25.939 1.867
98 HE1 TYR 13 HE1 TYR 13 -11.601 -30.846 1.615
99 HE2 TYR 13 HE2 TYR 13 -13.218 -27.129 2.947
100 HH TYR 13 HH TYR 13 -13.809 -29.273 3.758
Start of MODEL 22
1 H1 LEU 1 H LEU 1 1.430 0.501 -6.256
2 HA LEU 1 HA LEU 1 2.541 -1.530 -4.451
3 HB2 LEU 1 2HB LEU 1 3.122 1.399 -4.813
4 HB3 LEU 1 3HB LEU 1 3.742 0.463 -3.454
5 HG LEU 1 HG LEU 1 4.311 -0.616 -6.145
6 HD11 LEU 1 1HD1 LEU 1 5.698 0.998 -6.899
7 HD12 LEU 1 2HD1 LEU 1 6.146 1.527 -5.278
8 HD13 LEU 1 3HD1 LEU 1 4.613 2.043 -5.981
9 HD21 LEU 1 1HD2 LEU 1 6.615 -0.391 -4.600
10 HD22 LEU 1 2HD2 LEU 1 5.617 -1.829 -4.816
11 HD23 LEU 1 3HD2 LEU 1 5.330 -0.752 -3.447
12 H GLY 2 H GLY 2 0.540 -2.052 -3.452
13 HA2 GLY 2 2HA GLY 2 -0.146 -1.421 -1.071
14 HA3 GLY 2 3HA GLY 2 -0.624 0.101 -1.807
15 H GLN 3 H GLN 3 -1.826 -0.719 -4.126
16 HA GLN 3 HA GLN 3 -4.414 -1.167 -3.493
17 HB2 GLN 3 2HB GLN 3 -3.056 -2.333 -5.929
18 HB3 GLN 3 3HB GLN 3 -4.771 -1.977 -5.762
19 HG2 GLN 3 2HG GLN 3 -4.270 0.399 -5.574
20 HG3 GLN 3 3HG GLN 3 -2.548 0.052 -5.715
21 HE21 GLN 3 1HE2 GLN 3 -5.621 -0.401 -7.408
22 HE22 GLN 3 2HE2 GLN 3 -4.969 -0.240 -9.000
23 H GLN 4 H GLN 4 -5.398 -2.697 -2.366
24 HA GLN 4 HA GLN 4 -4.316 -5.097 -1.542
25 HB2 GLN 4 2HB GLN 4 -6.754 -5.796 -1.196
26 HB3 GLN 4 3HB GLN 4 -6.208 -4.341 -0.373
27 HG2 GLN 4 2HG GLN 4 -7.637 -3.035 -1.478
28 HG3 GLN 4 3HG GLN 4 -7.323 -3.832 -3.018
29 HE21 GLN 4 1HE2 GLN 4 -9.606 -3.621 -3.383
30 HE22 GLN 4 2HE2 GLN 4 -10.698 -4.772 -2.699
31 H GLN 5 H GLN 5 -3.604 -6.717 -2.754
32 HA GLN 5 HA GLN 5 -4.450 -7.197 -5.413
33 HB2 GLN 5 2HB GLN 5 -2.223 -7.819 -4.724
34 HB3 GLN 5 3HB GLN 5 -2.859 -8.898 -3.490
35 HG2 GLN 5 2HG GLN 5 -3.904 -10.234 -5.336
36 HG3 GLN 5 3HG GLN 5 -2.998 -9.236 -6.472
37 HE21 GLN 5 1HE2 GLN 5 -2.471 -11.752 -6.732
38 HE22 GLN 5 2HE2 GLN 5 -0.974 -12.209 -6.001
39 HA PRO 6 HA PRO 6 -8.091 -9.584 -4.702
40 HB2 PRO 6 2HB PRO 6 -8.277 -10.737 -7.152
41 HB3 PRO 6 3HB PRO 6 -8.675 -9.041 -6.857
42 HG2 PRO 6 2HG PRO 6 -6.166 -10.231 -7.975
43 HG3 PRO 6 3HG PRO 6 -7.059 -8.796 -8.511
44 HD2 PRO 6 2HD PRO 6 -4.825 -8.637 -6.989
45 HD3 PRO 6 3HD PRO 6 -6.149 -7.461 -6.868
46 H PHE 7 H PHE 7 -8.145 -11.379 -3.517
47 HA PHE 7 HA PHE 7 -6.201 -13.299 -3.281
48 HB2 PHE 7 2HB PHE 7 -8.124 -14.805 -2.470
49 HB3 PHE 7 3HB PHE 7 -7.860 -13.288 -1.616
50 HD1 PHE 7 HD1 PHE 7 -9.592 -11.763 -1.364
51 HD2 PHE 7 HD2 PHE 7 -9.919 -14.839 -4.288
52 HE1 PHE 7 HE1 PHE 7 -11.935 -11.128 -1.766
53 HE2 PHE 7 HE2 PHE 7 -12.261 -14.208 -4.695
54 HZ PHE 7 HZ PHE 7 -13.273 -12.350 -3.434
55 HA PRO 8 HA PRO 8 -6.346 -15.947 -6.776
56 HB2 PRO 8 2HB PRO 8 -5.846 -18.370 -5.657
57 HB3 PRO 8 3HB PRO 8 -4.611 -17.116 -5.826
58 HG2 PRO 8 2HG PRO 8 -6.247 -17.854 -3.430
59 HG3 PRO 8 3HG PRO 8 -4.519 -17.471 -3.529
60 HD2 PRO 8 2HD PRO 8 -6.363 -15.676 -2.686
61 HD3 PRO 8 3HD PRO 8 -4.896 -15.197 -3.565
62 HA PRO 9 HA PRO 9 -10.248 -17.904 -7.299
63 HB2 PRO 9 2HB PRO 9 -9.651 -20.019 -8.893
64 HB3 PRO 9 3HB PRO 9 -9.638 -18.348 -9.469
65 HG2 PRO 9 2HG PRO 9 -7.347 -20.074 -8.610
66 HG3 PRO 9 3HG PRO 9 -7.463 -18.977 -9.999
67 HD2 PRO 9 2HD PRO 9 -6.189 -18.298 -7.708
68 HD3 PRO 9 3HD PRO 9 -7.035 -17.109 -8.719
69 H GLN 10 H GLN 10 -11.001 -18.727 -5.401
70 HA GLN 10 HA GLN 10 -11.550 -20.253 -3.806
71 HB2 GLN 10 2HB GLN 10 -11.747 -21.574 -6.141
72 HB3 GLN 10 3HB GLN 10 -10.503 -22.546 -5.366
73 HG2 GLN 10 2HG GLN 10 -12.733 -21.974 -3.598
74 HG3 GLN 10 3HG GLN 10 -13.221 -22.827 -5.062
75 HE21 GLN 10 1HE2 GLN 10 -11.451 -22.992 -2.103
76 HE22 GLN 10 2HE2 GLN 10 -11.100 -24.682 -2.158
77 H GLN 11 H GLN 11 -10.142 -19.789 -2.179
78 HA GLN 11 HA GLN 11 -7.420 -20.230 -2.086
79 HB2 GLN 11 2HB GLN 11 -7.550 -19.940 0.260
80 HB3 GLN 11 3HB GLN 11 -8.854 -18.972 -0.416
81 HG2 GLN 11 2HG GLN 11 -10.290 -21.095 0.020
82 HG3 GLN 11 3HG GLN 11 -8.992 -21.512 1.137
83 HE21 GLN 11 1HE2 GLN 11 -9.156 -20.770 3.127
84 HE22 GLN 11 2HE2 GLN 11 -10.151 -19.455 3.642
85 HA PRO 12 HA PRO 12 -6.770 -24.559 -1.766
86 HB2 PRO 12 2HB PRO 12 -4.562 -24.635 -0.189
87 HB3 PRO 12 3HB PRO 12 -4.520 -24.104 -1.874
88 HG2 PRO 12 2HG PRO 12 -4.599 -22.463 0.628
89 HG3 PRO 12 3HG PRO 12 -3.625 -22.226 -0.835
90 HD2 PRO 12 2HD PRO 12 -5.885 -20.817 -0.346
91 HD3 PRO 12 3HD PRO 12 -5.365 -21.250 -1.988
92 H TYR 13 H TYR 13 -6.709 -26.368 -0.277
93 HA TYR 13 HA TYR 13 -8.625 -26.344 1.680
94 HB2 TYR 13 2HB TYR 13 -7.801 -28.427 0.800
95 HB3 TYR 13 3HB TYR 13 -6.191 -28.119 1.440
96 HD1 TYR 13 HD1 TYR 13 -5.597 -28.895 3.563
97 HD2 TYR 13 HD2 TYR 13 -9.711 -28.704 2.493
98 HE1 TYR 13 HE1 TYR 13 -6.184 -30.089 5.631
99 HE2 TYR 13 HE2 TYR 13 -10.309 -29.896 4.559
100 HH TYR 13 HH TYR 13 -8.335 -31.649 6.307
Start of MODEL 23
1 H1 LEU 1 H LEU 1 0.860 1.585 -0.007
2 HA LEU 1 HA LEU 1 1.042 1.833 -2.261
3 HB2 LEU 1 2HB LEU 1 3.915 1.605 -1.474
4 HB3 LEU 1 3HB LEU 1 3.470 1.608 -3.179
5 HG LEU 1 HG LEU 1 2.355 3.810 -1.564
6 HD11 LEU 1 1HD1 LEU 1 4.269 4.442 -0.632
7 HD12 LEU 1 2HD1 LEU 1 4.876 4.751 -2.258
8 HD13 LEU 1 3HD1 LEU 1 5.175 3.193 -1.488
9 HD21 LEU 1 1HD2 LEU 1 3.113 5.070 -3.595
10 HD22 LEU 1 2HD2 LEU 1 1.946 3.785 -3.909
11 HD23 LEU 1 3HD2 LEU 1 3.654 3.531 -4.267
12 H GLY 2 H GLY 2 0.793 0.527 -4.034
13 HA2 GLY 2 2HA GLY 2 1.382 -1.433 -5.317
14 HA3 GLY 2 3HA GLY 2 1.787 -2.239 -3.809
15 H GLN 3 H GLN 3 -0.845 -1.105 -5.838
16 HA GLN 3 HA GLN 3 -3.085 -1.704 -4.450
17 HB2 GLN 3 2HB GLN 3 -2.615 -2.539 -7.317
18 HB3 GLN 3 3HB GLN 3 -4.175 -2.258 -6.556
19 HG2 GLN 3 2HG GLN 3 -3.620 0.095 -6.261
20 HG3 GLN 3 3HG GLN 3 -2.043 -0.180 -6.999
21 HE21 GLN 3 1HE2 GLN 3 -5.408 0.277 -7.530
22 HE22 GLN 3 2HE2 GLN 3 -5.353 0.327 -9.256
23 H GLN 4 H GLN 4 -3.434 -3.367 -3.131
24 HA GLN 4 HA GLN 4 -2.219 -5.842 -3.165
25 HB2 GLN 4 2HB GLN 4 -4.287 -6.603 -1.863
26 HB3 GLN 4 3HB GLN 4 -3.364 -5.262 -1.199
27 HG2 GLN 4 2HG GLN 4 -5.113 -3.907 -1.289
28 HG3 GLN 4 3HG GLN 4 -5.430 -4.320 -2.974
29 HE21 GLN 4 1HE2 GLN 4 -6.847 -6.009 -3.449
30 HE22 GLN 4 2HE2 GLN 4 -7.966 -6.617 -2.282
31 H GLN 5 H GLN 5 -2.561 -7.765 -4.152
32 HA GLN 5 HA GLN 5 -4.345 -7.766 -6.444
33 HB2 GLN 5 2HB GLN 5 -2.104 -8.583 -6.809
34 HB3 GLN 5 3HB GLN 5 -2.265 -9.740 -5.494
35 HG2 GLN 5 2HG GLN 5 -4.109 -10.823 -6.802
36 HG3 GLN 5 3HG GLN 5 -3.672 -9.772 -8.148
37 HE21 GLN 5 1HE2 GLN 5 -2.378 -10.661 -9.573
38 HE22 GLN 5 2HE2 GLN 5 -1.215 -11.902 -9.268
39 HA PRO 6 HA PRO 6 -7.563 -9.991 -4.406
40 HB2 PRO 6 2HB PRO 6 -8.866 -10.884 -6.614
41 HB3 PRO 6 3HB PRO 6 -8.940 -9.204 -6.069
42 HG2 PRO 6 2HG PRO 6 -7.256 -10.425 -8.222
43 HG3 PRO 6 3HG PRO 6 -8.150 -8.894 -8.234
44 HD2 PRO 6 2HD PRO 6 -5.480 -9.018 -7.800
45 HD3 PRO 6 3HD PRO 6 -6.513 -7.783 -7.051
46 H PHE 7 H PHE 7 -7.147 -11.855 -3.402
47 HA PHE 7 HA PHE 7 -5.532 -13.915 -4.222
48 HB2 PHE 7 2HB PHE 7 -6.966 -15.351 -2.639
49 HB3 PHE 7 3HB PHE 7 -6.173 -13.932 -1.961
50 HD1 PHE 7 HD1 PHE 7 -9.402 -15.206 -3.243
51 HD2 PHE 7 HD2 PHE 7 -7.415 -12.225 -0.946
52 HE1 PHE 7 HE1 PHE 7 -11.576 -14.388 -2.431
53 HE2 PHE 7 HE2 PHE 7 -9.585 -11.402 -0.130
54 HZ PHE 7 HZ PHE 7 -11.669 -12.484 -0.872
55 HA PRO 8 HA PRO 8 -7.605 -16.243 -7.308
56 HB2 PRO 8 2HB PRO 8 -6.873 -18.780 -6.675
57 HB3 PRO 8 3HB PRO 8 -5.754 -17.602 -7.372
58 HG2 PRO 8 2HG PRO 8 -6.098 -18.427 -4.515
59 HG3 PRO 8 3HG PRO 8 -4.602 -18.154 -5.429
60 HD2 PRO 8 2HD PRO 8 -5.623 -16.316 -3.721
61 HD3 PRO 8 3HD PRO 8 -4.722 -15.865 -5.183
62 HA PRO 9 HA PRO 9 -11.450 -17.883 -5.943
63 HB2 PRO 9 2HB PRO 9 -11.908 -19.892 -7.710
64 HB3 PRO 9 3HB PRO 9 -12.008 -18.184 -8.152
65 HG2 PRO 9 2HG PRO 9 -9.771 -20.125 -8.588
66 HG3 PRO 9 3HG PRO 9 -10.432 -18.911 -9.699
67 HD2 PRO 9 2HD PRO 9 -8.152 -18.513 -8.293
68 HD3 PRO 9 3HD PRO 9 -9.257 -17.189 -8.715
69 H GLN 10 H GLN 10 -12.094 -19.201 -4.351
70 HA GLN 10 HA GLN 10 -12.159 -20.913 -2.855
71 HB2 GLN 10 2HB GLN 10 -12.265 -22.145 -5.201
72 HB3 GLN 10 3HB GLN 10 -10.687 -22.738 -4.698
73 HG2 GLN 10 2HG GLN 10 -11.685 -23.627 -2.646
74 HG3 GLN 10 3HG GLN 10 -13.265 -23.054 -3.178
75 HE21 GLN 10 1HE2 GLN 10 -11.953 -25.772 -2.679
76 HE22 GLN 10 2HE2 GLN 10 -12.388 -26.691 -4.076
77 H GLN 11 H GLN 11 -10.813 -20.230 -1.264
78 HA GLN 11 HA GLN 11 -8.070 -19.933 -1.347
79 HB2 GLN 11 2HB GLN 11 -8.106 -19.842 1.018
80 HB3 GLN 11 3HB GLN 11 -9.662 -19.214 0.491
81 HG2 GLN 11 2HG GLN 11 -10.153 -21.899 0.802
82 HG3 GLN 11 3HG GLN 11 -9.037 -21.538 2.118
83 HE21 GLN 11 1HE2 GLN 11 -12.122 -20.722 0.678
84 HE22 GLN 11 2HE2 GLN 11 -12.813 -20.014 2.094
85 HA PRO 12 HA PRO 12 -6.290 -23.944 -1.418
86 HB2 PRO 12 2HB PRO 12 -4.033 -23.534 0.034
87 HB3 PRO 12 3HB PRO 12 -4.251 -22.901 -1.602
88 HG2 PRO 12 2HG PRO 12 -4.579 -21.508 1.028
89 HG3 PRO 12 3HG PRO 12 -3.807 -20.925 -0.458
90 HD2 PRO 12 2HD PRO 12 -6.316 -20.204 0.258
91 HD3 PRO 12 3HD PRO 12 -5.819 -20.373 -1.438
92 H TYR 13 H TYR 13 -7.071 -25.639 -0.344
93 HA TYR 13 HA TYR 13 -8.106 -25.712 2.191
94 HB2 TYR 13 2HB TYR 13 -8.456 -27.515 0.595
95 HB3 TYR 13 3HB TYR 13 -6.756 -27.962 0.686
96 HD1 TYR 13 HD1 TYR 13 -9.161 -27.132 3.412
97 HD2 TYR 13 HD2 TYR 13 -6.714 -30.101 1.595
98 HE1 TYR 13 HE1 TYR 13 -9.670 -28.675 5.259
99 HE2 TYR 13 HE2 TYR 13 -7.218 -31.652 3.436
100 HH TYR 13 HH TYR 13 -8.656 -30.665 6.329
Start of MODEL 24
1 H1 LEU 1 H LEU 1 4.359 2.868 -2.633
2 HA LEU 1 HA LEU 1 2.226 2.141 -2.995
3 HB2 LEU 1 2HB LEU 1 2.781 4.287 -4.630
4 HB3 LEU 1 3HB LEU 1 2.070 3.115 -5.738
5 HG LEU 1 HG LEU 1 0.209 2.988 -3.873
6 HD11 LEU 1 1HD1 LEU 1 1.652 5.546 -3.325
7 HD12 LEU 1 2HD1 LEU 1 0.975 4.374 -2.195
8 HD13 LEU 1 3HD1 LEU 1 -0.094 5.447 -3.097
9 HD21 LEU 1 1HD2 LEU 1 -0.922 4.937 -5.061
10 HD22 LEU 1 2HD2 LEU 1 -0.378 3.592 -6.063
11 HD23 LEU 1 3HD2 LEU 1 0.566 5.081 -5.997
12 H GLY 2 H GLY 2 1.039 0.442 -3.806
13 HA2 GLY 2 2HA GLY 2 1.494 -0.856 -6.256
14 HA3 GLY 2 3HA GLY 2 2.431 -1.675 -5.014
15 H GLN 3 H GLN 3 -0.843 -0.652 -5.882
16 HA GLN 3 HA GLN 3 -2.384 -1.754 -3.955
17 HB2 GLN 3 2HB GLN 3 -2.918 -2.068 -6.913
18 HB3 GLN 3 3HB GLN 3 -4.116 -2.121 -5.627
19 HG2 GLN 3 2HG GLN 3 -3.663 0.212 -5.094
20 HG3 GLN 3 3HG GLN 3 -2.442 0.270 -6.365
21 HE21 GLN 3 1HE2 GLN 3 -5.872 -0.307 -5.776
22 HE22 GLN 3 2HE2 GLN 3 -6.417 0.266 -7.312
23 H GLN 4 H GLN 4 -2.149 -3.635 -2.943
24 HA GLN 4 HA GLN 4 -0.836 -5.886 -3.843
25 HB2 GLN 4 2HB GLN 4 -2.267 -7.114 -2.112
26 HB3 GLN 4 3HB GLN 4 -1.276 -5.779 -1.539
27 HG2 GLN 4 2HG GLN 4 -3.051 -4.536 -0.958
28 HG3 GLN 4 3HG GLN 4 -4.000 -5.048 -2.352
29 HE21 GLN 4 1HE2 GLN 4 -2.850 -6.069 0.817
30 HE22 GLN 4 2HE2 GLN 4 -4.168 -7.134 1.154
31 H GLN 5 H GLN 5 -1.614 -7.980 -4.501
32 HA GLN 5 HA GLN 5 -3.857 -7.751 -6.361
33 HB2 GLN 5 2HB GLN 5 -1.805 -8.579 -7.323
34 HB3 GLN 5 3HB GLN 5 -1.672 -9.817 -6.082
35 HG2 GLN 5 2HG GLN 5 -3.817 -10.780 -6.951
36 HG3 GLN 5 3HG GLN 5 -3.694 -9.650 -8.298
37 HE21 GLN 5 1HE2 GLN 5 -2.104 -12.330 -6.676
38 HE22 GLN 5 2HE2 GLN 5 -1.222 -12.885 -8.054
39 HA PRO 6 HA PRO 6 -6.540 -10.053 -3.723
40 HB2 PRO 6 2HB PRO 6 -8.379 -10.775 -5.586
41 HB3 PRO 6 3HB PRO 6 -8.260 -9.135 -4.939
42 HG2 PRO 6 2HG PRO 6 -7.203 -10.237 -7.514
43 HG3 PRO 6 3HG PRO 6 -8.022 -8.693 -7.209
44 HD2 PRO 6 2HD PRO 6 -5.334 -8.891 -7.464
45 HD3 PRO 6 3HD PRO 6 -6.107 -7.692 -6.408
46 H PHE 7 H PHE 7 -6.174 -12.032 -2.964
47 HA PHE 7 HA PHE 7 -4.765 -14.048 -4.177
48 HB2 PHE 7 2HB PHE 7 -6.020 -15.586 -2.538
49 HB3 PHE 7 3HB PHE 7 -5.089 -14.254 -1.859
50 HD1 PHE 7 HD1 PHE 7 -8.528 -15.196 -2.900
51 HD2 PHE 7 HD2 PHE 7 -6.094 -12.745 -0.414
52 HE1 PHE 7 HE1 PHE 7 -10.537 -14.400 -1.723
53 HE2 PHE 7 HE2 PHE 7 -8.098 -11.946 0.768
54 HZ PHE 7 HZ PHE 7 -10.324 -12.774 0.114
55 HA PRO 8 HA PRO 8 -7.329 -16.035 -7.130
56 HB2 PRO 8 2HB PRO 8 -6.611 -18.636 -6.827
57 HB3 PRO 8 3HB PRO 8 -5.556 -17.429 -7.571
58 HG2 PRO 8 2HG PRO 8 -5.534 -18.500 -4.776
59 HG3 PRO 8 3HG PRO 8 -4.169 -18.183 -5.863
60 HD2 PRO 8 2HD PRO 8 -4.876 -16.482 -3.877
61 HD3 PRO 8 3HD PRO 8 -4.168 -15.923 -5.407
62 HA PRO 9 HA PRO 9 -11.007 -17.696 -5.385
63 HB2 PRO 9 2HB PRO 9 -11.779 -19.525 -7.237
64 HB3 PRO 9 3HB PRO 9 -11.875 -17.781 -7.511
65 HG2 PRO 9 2HG PRO 9 -9.794 -19.730 -8.423
66 HG3 PRO 9 3HG PRO 9 -10.555 -18.404 -9.321
67 HD2 PRO 9 2HD PRO 9 -8.090 -18.192 -8.221
68 HD3 PRO 9 3HD PRO 9 -9.193 -16.808 -8.367
69 H GLN 10 H GLN 10 -12.107 -19.714 -4.667
70 HA GLN 10 HA GLN 10 -12.120 -21.640 -3.459
71 HB2 GLN 10 2HB GLN 10 -10.683 -22.198 -5.844
72 HB3 GLN 10 3HB GLN 10 -9.855 -23.019 -4.527
73 HG2 GLN 10 2HG GLN 10 -12.050 -24.005 -3.867
74 HG3 GLN 10 3HG GLN 10 -12.735 -23.314 -5.337
75 HE21 GLN 10 1HE2 GLN 10 -11.671 -23.946 -7.377
76 HE22 GLN 10 2HE2 GLN 10 -11.079 -25.563 -7.519
77 H GLN 11 H GLN 11 -11.553 -20.980 -1.442
78 HA GLN 11 HA GLN 11 -9.096 -20.077 -0.562
79 HB2 GLN 11 2HB GLN 11 -9.864 -20.442 1.647
80 HB3 GLN 11 3HB GLN 11 -11.298 -20.082 0.695
81 HG2 GLN 11 2HG GLN 11 -11.502 -22.651 0.479
82 HG3 GLN 11 3HG GLN 11 -10.412 -22.682 1.864
83 HE21 GLN 11 1HE2 GLN 11 -11.274 -22.532 3.815
84 HE22 GLN 11 2HE2 GLN 11 -12.888 -22.029 4.169
85 HA PRO 12 HA PRO 12 -6.371 -23.516 -0.451
86 HB2 PRO 12 2HB PRO 12 -4.851 -22.903 1.713
87 HB3 PRO 12 3HB PRO 12 -4.728 -22.038 0.177
88 HG2 PRO 12 2HG PRO 12 -6.192 -21.268 2.672
89 HG3 PRO 12 3HG PRO 12 -5.194 -20.263 1.605
90 HD2 PRO 12 2HD PRO 12 -7.900 -20.255 1.503
91 HD3 PRO 12 3HD PRO 12 -6.890 -19.990 0.068
92 H TYR 13 H TYR 13 -7.902 -25.164 0.044
93 HA TYR 13 HA TYR 13 -9.040 -25.788 2.456
94 HB2 TYR 13 2HB TYR 13 -9.572 -27.020 0.434
95 HB3 TYR 13 3HB TYR 13 -7.946 -27.690 0.374
96 HD1 TYR 13 HD1 TYR 13 -11.005 -27.608 2.496
97 HD2 TYR 13 HD2 TYR 13 -7.488 -29.735 1.398
98 HE1 TYR 13 HE1 TYR 13 -11.756 -29.529 3.836
99 HE2 TYR 13 HE2 TYR 13 -8.230 -31.663 2.733
100 HH TYR 13 HH TYR 13 -10.762 -32.485 3.529
Start of MODEL 25
1 H1 LEU 1 H LEU 1 1.535 1.385 -1.314
2 HA LEU 1 HA LEU 1 0.791 2.735 -3.780
3 HB2 LEU 1 2HB LEU 1 3.548 2.667 -2.648
4 HB3 LEU 1 3HB LEU 1 3.338 2.558 -4.395
5 HG LEU 1 HG LEU 1 1.974 4.724 -4.165
6 HD11 LEU 1 1HD1 LEU 1 3.002 4.360 -1.429
7 HD12 LEU 1 2HD1 LEU 1 1.580 5.228 -2.006
8 HD13 LEU 1 3HD1 LEU 1 3.172 5.979 -2.109
9 HD21 LEU 1 1HD2 LEU 1 4.532 4.246 -4.832
10 HD22 LEU 1 2HD2 LEU 1 4.777 5.315 -3.451
11 HD23 LEU 1 3HD2 LEU 1 3.813 5.856 -4.826
12 H GLY 2 H GLY 2 0.147 1.183 -5.111
13 HA2 GLY 2 2HA GLY 2 0.722 -0.682 -6.520
14 HA3 GLY 2 3HA GLY 2 1.703 -1.316 -5.208
15 H GLN 3 H GLN 3 -1.655 -0.596 -6.103
16 HA GLN 3 HA GLN 3 -3.078 -1.774 -4.131
17 HB2 GLN 3 2HB GLN 3 -3.628 -2.189 -7.074
18 HB3 GLN 3 3HB GLN 3 -4.800 -2.307 -5.768
19 HG2 GLN 3 2HG GLN 3 -4.522 0.064 -5.288
20 HG3 GLN 3 3HG GLN 3 -3.327 0.189 -6.578
21 HE21 GLN 3 1HE2 GLN 3 -6.492 -1.395 -6.350
22 HE22 GLN 3 2HE2 GLN 3 -7.179 -0.604 -7.723
23 H GLN 4 H GLN 4 -2.611 -3.596 -3.082
24 HA GLN 4 HA GLN 4 -1.175 -5.765 -3.998
25 HB2 GLN 4 2HB GLN 4 -2.416 -7.050 -2.165
26 HB3 GLN 4 3HB GLN 4 -1.504 -5.629 -1.676
27 HG2 GLN 4 2HG GLN 4 -3.319 -4.597 -0.918
28 HG3 GLN 4 3HG GLN 4 -4.252 -4.999 -2.359
29 HE21 GLN 4 1HE2 GLN 4 -5.163 -7.168 -2.466
30 HE22 GLN 4 2HE2 GLN 4 -5.662 -7.939 -1.003
31 H GLN 5 H GLN 5 -1.690 -7.778 -4.848
32 HA GLN 5 HA GLN 5 -3.992 -7.810 -6.576
33 HB2 GLN 5 2HB GLN 5 -1.909 -8.685 -7.425
34 HB3 GLN 5 3HB GLN 5 -1.796 -9.827 -6.092
35 HG2 GLN 5 2HG GLN 5 -3.910 -10.875 -6.937
36 HG3 GLN 5 3HG GLN 5 -3.765 -9.846 -8.361
37 HE21 GLN 5 1HE2 GLN 5 -2.706 -12.682 -6.788
38 HE22 GLN 5 2HE2 GLN 5 -1.586 -13.210 -7.993
39 HA PRO 6 HA PRO 6 -6.717 -9.939 -3.837
40 HB2 PRO 6 2HB PRO 6 -8.504 -10.818 -5.683
41 HB3 PRO 6 3HB PRO 6 -8.415 -9.132 -5.157
42 HG2 PRO 6 2HG PRO 6 -7.287 -10.411 -7.618
43 HG3 PRO 6 3HG PRO 6 -8.127 -8.858 -7.449
44 HD2 PRO 6 2HD PRO 6 -5.431 -9.045 -7.625
45 HD3 PRO 6 3HD PRO 6 -6.241 -7.779 -6.679
46 H PHE 7 H PHE 7 -6.653 -11.913 -2.961
47 HA PHE 7 HA PHE 7 -5.065 -13.977 -3.819
48 HB2 PHE 7 2HB PHE 7 -6.596 -15.444 -2.361
49 HB3 PHE 7 3HB PHE 7 -5.791 -14.083 -1.587
50 HD1 PHE 7 HD1 PHE 7 -9.003 -15.200 -3.046
51 HD2 PHE 7 HD2 PHE 7 -7.023 -12.390 -0.536
52 HE1 PHE 7 HE1 PHE 7 -11.182 -14.358 -2.275
53 HE2 PHE 7 HE2 PHE 7 -9.199 -11.544 0.240
54 HZ PHE 7 HZ PHE 7 -11.283 -12.528 -0.629
55 HA PRO 8 HA PRO 8 -7.082 -16.097 -7.088
56 HB2 PRO 8 2HB PRO 8 -6.442 -18.681 -6.551
57 HB3 PRO 8 3HB PRO 8 -5.266 -17.504 -7.149
58 HG2 PRO 8 2HG PRO 8 -5.741 -18.452 -4.350
59 HG3 PRO 8 3HG PRO 8 -4.205 -18.180 -5.194
60 HD2 PRO 8 2HD PRO 8 -5.240 -16.396 -3.439
61 HD3 PRO 8 3HD PRO 8 -4.272 -15.903 -4.843
62 HA PRO 9 HA PRO 9 -11.018 -17.688 -5.945
63 HB2 PRO 9 2HB PRO 9 -11.463 -19.598 -7.822
64 HB3 PRO 9 3HB PRO 9 -11.500 -17.868 -8.185
65 HG2 PRO 9 2HG PRO 9 -9.302 -19.851 -8.632
66 HG3 PRO 9 3HG PRO 9 -9.886 -18.567 -9.706
67 HD2 PRO 9 2HD PRO 9 -7.651 -18.301 -8.200
68 HD3 PRO 9 3HD PRO 9 -8.704 -16.928 -8.598
69 H GLN 10 H GLN 10 -12.017 -19.278 -4.752
70 HA GLN 10 HA GLN 10 -12.214 -21.084 -3.384
71 HB2 GLN 10 2HB GLN 10 -11.916 -22.208 -5.677
72 HB3 GLN 10 3HB GLN 10 -10.266 -22.534 -5.161
73 HG2 GLN 10 2HG GLN 10 -10.944 -24.326 -4.067
74 HG3 GLN 10 3HG GLN 10 -12.021 -23.339 -3.081
75 HE21 GLN 10 1HE2 GLN 10 -11.852 -25.835 -5.258
76 HE22 GLN 10 2HE2 GLN 10 -13.508 -25.886 -5.748
77 H GLN 11 H GLN 11 -11.277 -20.420 -1.515
78 HA GLN 11 HA GLN 11 -8.607 -19.917 -1.021
79 HB2 GLN 11 2HB GLN 11 -9.122 -19.997 1.288
80 HB3 GLN 11 3HB GLN 11 -10.590 -19.449 0.490
81 HG2 GLN 11 2HG GLN 11 -11.057 -22.086 0.517
82 HG3 GLN 11 3HG GLN 11 -10.043 -21.948 1.952
83 HE21 GLN 11 1HE2 GLN 11 -12.674 -22.742 2.106
84 HE22 GLN 11 2HE2 GLN 11 -13.595 -21.520 2.908
85 HA PRO 12 HA PRO 12 -6.512 -23.772 -0.946
86 HB2 PRO 12 2HB PRO 12 -4.633 -23.304 0.956
87 HB3 PRO 12 3HB PRO 12 -4.574 -22.573 -0.652
88 HG2 PRO 12 2HG PRO 12 -5.538 -21.398 1.927
89 HG3 PRO 12 3HG PRO 12 -4.538 -20.657 0.664
90 HD2 PRO 12 2HD PRO 12 -7.192 -20.173 0.892
91 HD3 PRO 12 3HD PRO 12 -6.354 -20.185 -0.673
92 H TYR 13 H TYR 13 -7.144 -25.652 -0.112
93 HA TYR 13 HA TYR 13 -8.760 -26.029 2.067
94 HB2 TYR 13 2HB TYR 13 -8.252 -27.733 0.316
95 HB3 TYR 13 3HB TYR 13 -6.696 -28.013 1.089
96 HD1 TYR 13 HD1 TYR 13 -10.337 -27.960 1.938
97 HD2 TYR 13 HD2 TYR 13 -6.532 -29.741 2.613
98 HE1 TYR 13 HE1 TYR 13 -11.382 -29.617 3.425
99 HE2 TYR 13 HE2 TYR 13 -7.567 -31.403 4.101
100 HH TYR 13 HH TYR 13 -10.410 -32.294 4.169
Start of MODEL 26
1 H1 LEU 1 H LEU 1 0.001 1.585 -0.716
2 HA LEU 1 HA LEU 1 0.086 2.677 -2.888
3 HB2 LEU 1 2HB LEU 1 2.052 4.015 -2.270
4 HB3 LEU 1 3HB LEU 1 3.061 2.576 -2.403
5 HG LEU 1 HG LEU 1 1.841 2.740 -4.877
6 HD11 LEU 1 1HD1 LEU 1 2.262 5.459 -3.731
7 HD12 LEU 1 2HD1 LEU 1 0.984 4.869 -4.793
8 HD13 LEU 1 3HD1 LEU 1 2.596 5.176 -5.440
9 HD21 LEU 1 1HD2 LEU 1 4.529 3.785 -3.993
10 HD22 LEU 1 2HD2 LEU 1 4.070 3.405 -5.654
11 HD23 LEU 1 3HD2 LEU 1 4.152 2.122 -4.446
12 H GLY 2 H GLY 2 -0.438 1.198 -4.350
13 HA2 GLY 2 2HA GLY 2 0.220 -0.532 -5.889
14 HA3 GLY 2 3HA GLY 2 1.293 -1.166 -4.650
15 H GLN 3 H GLN 3 -2.127 -0.693 -5.449
16 HA GLN 3 HA GLN 3 -3.415 -2.055 -3.503
17 HB2 GLN 3 2HB GLN 3 -3.970 -2.416 -6.452
18 HB3 GLN 3 3HB GLN 3 -5.108 -2.679 -5.137
19 HG2 GLN 3 2HG GLN 3 -5.028 -0.311 -4.578
20 HG3 GLN 3 3HG GLN 3 -3.867 -0.039 -5.877
21 HE21 GLN 3 1HE2 GLN 3 -6.926 -1.821 -5.599
22 HE22 GLN 3 2HE2 GLN 3 -7.680 -1.075 -6.962
23 H GLN 4 H GLN 4 -2.952 -3.914 -2.541
24 HA GLN 4 HA GLN 4 -1.267 -5.896 -3.454
25 HB2 GLN 4 2HB GLN 4 -2.520 -7.386 -1.792
26 HB3 GLN 4 3HB GLN 4 -1.775 -5.923 -1.161
27 HG2 GLN 4 2HG GLN 4 -3.779 -4.905 -0.762
28 HG3 GLN 4 3HG GLN 4 -4.615 -5.806 -2.025
29 HE21 GLN 4 1HE2 GLN 4 -5.453 -7.819 -1.573
30 HE22 GLN 4 2HE2 GLN 4 -5.595 -8.434 0.035
31 H GLN 5 H GLN 5 -1.491 -7.798 -4.565
32 HA GLN 5 HA GLN 5 -3.511 -7.946 -6.527
33 HB2 GLN 5 2HB GLN 5 -1.332 -8.890 -6.951
34 HB3 GLN 5 3HB GLN 5 -1.500 -9.996 -5.594
35 HG2 GLN 5 2HG GLN 5 -3.447 -11.020 -6.796
36 HG3 GLN 5 3HG GLN 5 -3.010 -10.035 -8.191
37 HE21 GLN 5 1HE2 GLN 5 -2.346 -12.851 -6.383
38 HE22 GLN 5 2HE2 GLN 5 -1.034 -13.438 -7.342
39 HA PRO 6 HA PRO 6 -6.757 -9.937 -4.300
40 HB2 PRO 6 2HB PRO 6 -8.190 -10.826 -6.427
41 HB3 PRO 6 3HB PRO 6 -8.156 -9.129 -5.933
42 HG2 PRO 6 2HG PRO 6 -6.623 -10.501 -8.108
43 HG3 PRO 6 3HG PRO 6 -7.437 -8.926 -8.135
44 HD2 PRO 6 2HD PRO 6 -4.762 -9.177 -7.799
45 HD3 PRO 6 3HD PRO 6 -5.700 -7.868 -7.052
46 H PHE 7 H PHE 7 -6.664 -11.839 -3.301
47 HA PHE 7 HA PHE 7 -5.083 -13.981 -3.960
48 HB2 PHE 7 2HB PHE 7 -6.732 -15.336 -2.522
49 HB3 PHE 7 3HB PHE 7 -5.939 -13.954 -1.772
50 HD1 PHE 7 HD1 PHE 7 -7.193 -12.268 -0.782
51 HD2 PHE 7 HD2 PHE 7 -9.080 -14.988 -3.457
52 HE1 PHE 7 HE1 PHE 7 -9.388 -11.334 -0.178
53 HE2 PHE 7 HE2 PHE 7 -11.278 -14.058 -2.858
54 HZ PHE 7 HZ PHE 7 -11.434 -12.228 -1.217
55 HA PRO 8 HA PRO 8 -6.962 -16.220 -7.230
56 HB2 PRO 8 2HB PRO 8 -6.422 -18.786 -6.528
57 HB3 PRO 8 3HB PRO 8 -5.183 -17.670 -7.115
58 HG2 PRO 8 2HG PRO 8 -5.842 -18.461 -4.304
59 HG3 PRO 8 3HG PRO 8 -4.254 -18.267 -5.069
60 HD2 PRO 8 2HD PRO 8 -5.341 -16.372 -3.469
61 HD3 PRO 8 3HD PRO 8 -4.282 -15.974 -4.837
62 HA PRO 9 HA PRO 9 -10.998 -17.660 -6.242
63 HB2 PRO 9 2HB PRO 9 -11.383 -19.654 -8.044
64 HB3 PRO 9 3HB PRO 9 -11.355 -17.945 -8.494
65 HG2 PRO 9 2HG PRO 9 -9.186 -19.997 -8.712
66 HG3 PRO 9 3HG PRO 9 -9.674 -18.757 -9.882
67 HD2 PRO 9 2HD PRO 9 -7.524 -18.465 -8.262
68 HD3 PRO 9 3HD PRO 9 -8.516 -17.091 -8.789
69 H GLN 10 H GLN 10 -11.706 -18.837 -4.585
70 HA GLN 10 HA GLN 10 -11.971 -20.513 -3.071
71 HB2 GLN 10 2HB GLN 10 -11.825 -21.769 -5.580
72 HB3 GLN 10 3HB GLN 10 -10.790 -22.714 -4.518
73 HG2 GLN 10 2HG GLN 10 -12.520 -23.576 -3.416
74 HG3 GLN 10 3HG GLN 10 -13.335 -22.017 -3.296
75 HE21 GLN 10 1HE2 GLN 10 -12.556 -24.524 -5.679
76 HE22 GLN 10 2HE2 GLN 10 -14.062 -24.435 -6.520
77 H GLN 11 H GLN 11 -10.540 -19.935 -1.502
78 HA GLN 11 HA GLN 11 -7.778 -20.009 -1.597
79 HB2 GLN 11 2HB GLN 11 -7.793 -19.809 0.762
80 HB3 GLN 11 3HB GLN 11 -9.250 -18.998 0.204
81 HG2 GLN 11 2HG GLN 11 -10.486 -21.137 0.696
82 HG3 GLN 11 3HG GLN 11 -9.020 -21.697 1.500
83 HE21 GLN 11 1HE2 GLN 11 -11.075 -21.683 3.072
84 HE22 GLN 11 2HE2 GLN 11 -11.095 -20.328 4.144
85 HA PRO 12 HA PRO 12 -6.563 -24.225 -1.485
86 HB2 PRO 12 2HB PRO 12 -4.267 -24.064 -0.047
87 HB3 PRO 12 3HB PRO 12 -4.402 -23.480 -1.710
88 HG2 PRO 12 2HG PRO 12 -4.527 -21.940 0.854
89 HG3 PRO 12 3HG PRO 12 -3.687 -21.535 -0.654
90 HD2 PRO 12 2HD PRO 12 -6.072 -20.446 0.023
91 HD3 PRO 12 3HD PRO 12 -5.609 -20.757 -1.662
92 H TYR 13 H TYR 13 -7.501 -25.786 -0.339
93 HA TYR 13 HA TYR 13 -8.573 -25.613 2.175
94 HB2 TYR 13 2HB TYR 13 -8.931 -27.461 0.505
95 HB3 TYR 13 3HB TYR 13 -7.396 -28.148 1.024
96 HD1 TYR 13 HD1 TYR 13 -10.676 -27.030 2.415
97 HD2 TYR 13 HD2 TYR 13 -7.387 -29.710 2.736
98 HE1 TYR 13 HE1 TYR 13 -11.832 -28.222 4.230
99 HE2 TYR 13 HE2 TYR 13 -8.534 -30.910 4.551
100 HH TYR 13 HH TYR 13 -10.829 -29.797 6.327
Start of MODEL 27
1 H1 LEU 1 H LEU 1 3.707 0.392 0.380
2 HA LEU 1 HA LEU 1 1.413 0.643 -1.154
3 HB2 LEU 1 2HB LEU 1 4.267 0.783 -2.114
4 HB3 LEU 1 3HB LEU 1 2.863 1.458 -2.937
5 HG LEU 1 HG LEU 1 3.891 2.361 -0.248
6 HD11 LEU 1 1HD1 LEU 1 5.190 2.790 -2.539
7 HD12 LEU 1 2HD1 LEU 1 5.101 3.990 -1.250
8 HD13 LEU 1 3HD1 LEU 1 4.014 4.102 -2.635
9 HD21 LEU 1 1HD2 LEU 1 2.224 4.220 -1.666
10 HD22 LEU 1 2HD2 LEU 1 2.021 3.541 -0.051
11 HD23 LEU 1 3HD2 LEU 1 1.383 2.684 -1.455
12 H GLY 2 H GLY 2 0.763 -0.260 -3.155
13 HA2 GLY 2 2HA GLY 2 1.569 -1.978 -4.888
14 HA3 GLY 2 3HA GLY 2 1.672 -3.042 -3.493
15 H GLN 3 H GLN 3 -0.404 -1.551 -5.808
16 HA GLN 3 HA GLN 3 -2.914 -1.724 -4.824
17 HB2 GLN 3 2HB GLN 3 -2.099 -2.783 -7.535
18 HB3 GLN 3 3HB GLN 3 -3.702 -2.227 -7.073
19 HG2 GLN 3 2HG GLN 3 -2.839 0.028 -6.754
20 HG3 GLN 3 3HG GLN 3 -1.223 -0.524 -7.191
21 HE21 GLN 3 1HE2 GLN 3 -2.236 1.521 -8.575
22 HE22 GLN 3 2HE2 GLN 3 -2.691 1.032 -10.168
23 H GLN 4 H GLN 4 -3.715 -3.239 -3.519
24 HA GLN 4 HA GLN 4 -2.926 -5.871 -3.286
25 HB2 GLN 4 2HB GLN 4 -5.266 -6.230 -2.312
26 HB3 GLN 4 3HB GLN 4 -4.252 -5.014 -1.546
27 HG2 GLN 4 2HG GLN 4 -5.620 -3.332 -2.104
28 HG3 GLN 4 3HG GLN 4 -5.968 -4.004 -3.696
29 HE21 GLN 4 1HE2 GLN 4 -8.158 -3.660 -3.571
30 HE22 GLN 4 2HE2 GLN 4 -9.190 -4.549 -2.509
31 H GLN 5 H GLN 5 -3.281 -7.707 -4.375
32 HA GLN 5 HA GLN 5 -4.976 -7.563 -6.759
33 HB2 GLN 5 2HB GLN 5 -2.702 -8.246 -7.190
34 HB3 GLN 5 3HB GLN 5 -2.799 -9.497 -5.957
35 HG2 GLN 5 2HG GLN 5 -4.600 -10.573 -7.330
36 HG3 GLN 5 3HG GLN 5 -4.222 -9.412 -8.602
37 HE21 GLN 5 1HE2 GLN 5 -1.704 -9.283 -8.933
38 HE22 GLN 5 2HE2 GLN 5 -0.945 -10.818 -9.168
39 HA PRO 6 HA PRO 6 -8.072 -10.073 -4.869
40 HB2 PRO 6 2HB PRO 6 -9.348 -10.872 -7.128
41 HB3 PRO 6 3HB PRO 6 -9.496 -9.239 -6.467
42 HG2 PRO 6 2HG PRO 6 -7.773 -10.227 -8.707
43 HG3 PRO 6 3HG PRO 6 -8.737 -8.742 -8.608
44 HD2 PRO 6 2HD PRO 6 -6.062 -8.770 -8.195
45 HD3 PRO 6 3HD PRO 6 -7.145 -7.640 -7.358
46 H PHE 7 H PHE 7 -7.053 -11.837 -3.984
47 HA PHE 7 HA PHE 7 -5.597 -13.809 -5.213
48 HB2 PHE 7 2HB PHE 7 -6.492 -15.314 -3.327
49 HB3 PHE 7 3HB PHE 7 -5.628 -13.852 -2.865
50 HD1 PHE 7 HD1 PHE 7 -6.630 -12.262 -1.486
51 HD2 PHE 7 HD2 PHE 7 -9.028 -15.253 -3.336
52 HE1 PHE 7 HE1 PHE 7 -8.555 -11.555 -0.127
53 HE2 PHE 7 HE2 PHE 7 -10.957 -14.550 -1.980
54 HZ PHE 7 HZ PHE 7 -10.723 -12.698 -0.373
55 HA PRO 8 HA PRO 8 -8.271 -16.261 -7.680
56 HB2 PRO 8 2HB PRO 8 -7.263 -18.751 -7.283
57 HB3 PRO 8 3HB PRO 8 -6.429 -17.517 -8.235
58 HG2 PRO 8 2HG PRO 8 -5.975 -18.347 -5.395
59 HG3 PRO 8 3HG PRO 8 -4.785 -17.997 -6.662
60 HD2 PRO 8 2HD PRO 8 -5.425 -16.210 -4.730
61 HD3 PRO 8 3HD PRO 8 -4.960 -15.717 -6.371
62 HA PRO 9 HA PRO 9 -11.536 -18.102 -5.382
63 HB2 PRO 9 2HB PRO 9 -12.328 -20.141 -6.990
64 HB3 PRO 9 3HB PRO 9 -12.631 -18.443 -7.373
65 HG2 PRO 9 2HG PRO 9 -10.483 -20.261 -8.394
66 HG3 PRO 9 3HG PRO 9 -11.472 -19.089 -9.283
67 HD2 PRO 9 2HD PRO 9 -8.931 -18.562 -8.512
68 HD3 PRO 9 3HD PRO 9 -10.177 -17.302 -8.620
69 H GLN 10 H GLN 10 -12.299 -20.079 -4.310
70 HA GLN 10 HA GLN 10 -11.973 -21.885 -2.967
71 HB2 GLN 10 2HB GLN 10 -11.470 -22.850 -5.316
72 HB3 GLN 10 3HB GLN 10 -9.786 -22.803 -4.811
73 HG2 GLN 10 2HG GLN 10 -10.042 -24.485 -3.304
74 HG3 GLN 10 3HG GLN 10 -11.734 -24.100 -2.993
75 HE21 GLN 10 1HE2 GLN 10 -13.148 -24.413 -5.019
76 HE22 GLN 10 2HE2 GLN 10 -12.908 -25.899 -5.866
77 H GLN 11 H GLN 11 -11.155 -20.968 -1.138
78 HA GLN 11 HA GLN 11 -8.645 -19.861 -0.764
79 HB2 GLN 11 2HB GLN 11 -9.052 -19.985 1.564
80 HB3 GLN 11 3HB GLN 11 -10.630 -19.794 0.812
81 HG2 GLN 11 2HG GLN 11 -10.602 -22.431 0.911
82 HG3 GLN 11 3HG GLN 11 -9.469 -22.126 2.227
83 HE21 GLN 11 1HE2 GLN 11 -10.482 -22.314 4.085
84 HE22 GLN 11 2HE2 GLN 11 -12.047 -21.686 4.462
85 HA PRO 12 HA PRO 12 -5.755 -23.164 -0.691
86 HB2 PRO 12 2HB PRO 12 -3.963 -22.242 1.128
87 HB3 PRO 12 3HB PRO 12 -4.118 -21.563 -0.497
88 HG2 PRO 12 2HG PRO 12 -5.230 -20.553 2.093
89 HG3 PRO 12 3HG PRO 12 -4.458 -19.648 0.777
90 HD2 PRO 12 2HD PRO 12 -7.145 -19.748 1.097
91 HD3 PRO 12 3HD PRO 12 -6.378 -19.622 -0.499
92 H TYR 13 H TYR 13 -6.652 -24.989 0.156
93 HA TYR 13 HA TYR 13 -7.692 -25.431 2.652
94 HB2 TYR 13 2HB TYR 13 -7.792 -27.042 0.772
95 HB3 TYR 13 3HB TYR 13 -6.095 -27.428 1.034
96 HD1 TYR 13 HD1 TYR 13 -8.954 -26.997 3.403
97 HD2 TYR 13 HD2 TYR 13 -5.949 -29.583 1.857
98 HE1 TYR 13 HE1 TYR 13 -9.604 -28.718 5.035
99 HE2 TYR 13 HE2 TYR 13 -6.592 -31.312 3.485
100 HH TYR 13 HH TYR 13 -9.296 -30.810 5.727
Start of MODEL 28
1 H1 LEU 1 H LEU 1 2.727 3.288 -1.085
2 HA LEU 1 HA LEU 1 0.818 2.607 -2.121
3 HB2 LEU 1 2HB LEU 1 0.633 3.289 -4.545
4 HB3 LEU 1 3HB LEU 1 0.980 4.574 -3.390
5 HG LEU 1 HG LEU 1 3.481 3.731 -4.280
6 HD11 LEU 1 1HD1 LEU 1 3.441 3.546 -6.589
7 HD12 LEU 1 2HD1 LEU 1 1.813 4.209 -6.717
8 HD13 LEU 1 3HD1 LEU 1 2.052 2.576 -6.097
9 HD21 LEU 1 1HD2 LEU 1 2.429 6.042 -3.778
10 HD22 LEU 1 2HD2 LEU 1 2.018 6.043 -5.494
11 HD23 LEU 1 3HD2 LEU 1 3.705 5.925 -4.991
12 H GLY 2 H GLY 2 -0.122 0.919 -3.318
13 HA2 GLY 2 2HA GLY 2 0.970 -0.657 -5.268
14 HA3 GLY 2 3HA GLY 2 1.634 -1.306 -3.776
15 H GLN 3 H GLN 3 -1.344 -0.663 -5.540
16 HA GLN 3 HA GLN 3 -3.296 -1.580 -3.912
17 HB2 GLN 3 2HB GLN 3 -3.013 -2.387 -6.810
18 HB3 GLN 3 3HB GLN 3 -4.506 -2.342 -5.883
19 HG2 GLN 3 2HG GLN 3 -4.305 0.074 -5.656
20 HG3 GLN 3 3HG GLN 3 -2.794 0.038 -6.564
21 HE21 GLN 3 1HE2 GLN 3 -5.871 -1.634 -7.081
22 HE22 GLN 3 2HE2 GLN 3 -6.151 -0.998 -8.663
23 H GLN 4 H GLN 4 -3.392 -3.288 -2.623
24 HA GLN 4 HA GLN 4 -1.758 -5.509 -2.674
25 HB2 GLN 4 2HB GLN 4 -3.629 -6.613 -1.320
26 HB3 GLN 4 3HB GLN 4 -2.944 -5.123 -0.684
27 HG2 GLN 4 2HG GLN 4 -4.828 -3.884 -1.192
28 HG3 GLN 4 3HG GLN 4 -5.389 -5.043 -2.396
29 HE21 GLN 4 1HE2 GLN 4 -7.275 -5.775 -1.716
30 HE22 GLN 4 2HE2 GLN 4 -7.618 -6.369 -0.130
31 H GLN 5 H GLN 5 -2.094 -7.699 -3.278
32 HA GLN 5 HA GLN 5 -3.517 -7.958 -5.788
33 HB2 GLN 5 2HB GLN 5 -1.290 -8.882 -5.679
34 HB3 GLN 5 3HB GLN 5 -1.715 -9.851 -4.274
35 HG2 GLN 5 2HG GLN 5 -3.381 -11.041 -5.721
36 HG3 GLN 5 3HG GLN 5 -2.684 -10.189 -7.098
37 HE21 GLN 5 1HE2 GLN 5 -2.359 -12.782 -4.899
38 HE22 GLN 5 2HE2 GLN 5 -0.885 -13.430 -5.524
39 HA PRO 6 HA PRO 6 -7.124 -9.801 -4.042
40 HB2 PRO 6 2HB PRO 6 -8.106 -10.937 -6.305
41 HB3 PRO 6 3HB PRO 6 -8.180 -9.199 -5.992
42 HG2 PRO 6 2HG PRO 6 -6.241 -10.739 -7.673
43 HG3 PRO 6 3HG PRO 6 -7.044 -9.197 -8.021
44 HD2 PRO 6 2HD PRO 6 -4.486 -9.343 -7.145
45 HD3 PRO 6 3HD PRO 6 -5.560 -7.990 -6.734
46 H PHE 7 H PHE 7 -7.441 -11.651 -2.974
47 HA PHE 7 HA PHE 7 -5.699 -13.768 -2.918
48 HB2 PHE 7 2HB PHE 7 -7.700 -15.082 -1.973
49 HB3 PHE 7 3HB PHE 7 -7.210 -13.619 -1.126
50 HD1 PHE 7 HD1 PHE 7 -8.823 -12.085 -0.553
51 HD2 PHE 7 HD2 PHE 7 -9.550 -14.732 -3.806
52 HE1 PHE 7 HE1 PHE 7 -11.110 -11.201 -0.756
53 HE2 PHE 7 HE2 PHE 7 -11.838 -13.851 -4.015
54 HZ PHE 7 HZ PHE 7 -12.620 -12.083 -2.490
55 HA PRO 8 HA PRO 8 -6.396 -16.315 -6.421
56 HB2 PRO 8 2HB PRO 8 -6.069 -18.799 -5.376
57 HB3 PRO 8 3HB PRO 8 -4.726 -17.677 -5.628
58 HG2 PRO 8 2HG PRO 8 -6.237 -18.289 -3.117
59 HG3 PRO 8 3HG PRO 8 -4.491 -18.086 -3.351
60 HD2 PRO 8 2HD PRO 8 -6.063 -16.127 -2.341
61 HD3 PRO 8 3HD PRO 8 -4.628 -15.786 -3.329
62 HA PRO 9 HA PRO 9 -10.513 -17.843 -6.653
63 HB2 PRO 9 2HB PRO 9 -10.269 -19.977 -8.314
64 HB3 PRO 9 3HB PRO 9 -10.125 -18.305 -8.870
65 HG2 PRO 9 2HG PRO 9 -7.969 -20.277 -8.218
66 HG3 PRO 9 3HG PRO 9 -8.077 -19.146 -9.580
67 HD2 PRO 9 2HD PRO 9 -6.563 -18.650 -7.391
68 HD3 PRO 9 3HD PRO 9 -7.355 -17.359 -8.317
69 H GLN 10 H GLN 10 -10.595 -18.496 -4.395
70 HA GLN 10 HA GLN 10 -11.084 -19.970 -2.735
71 HB2 GLN 10 2HB GLN 10 -12.366 -20.927 -4.904
72 HB3 GLN 10 3HB GLN 10 -11.308 -22.290 -4.563
73 HG2 GLN 10 2HG GLN 10 -12.351 -22.796 -2.607
74 HG3 GLN 10 3HG GLN 10 -12.833 -21.128 -2.303
75 HE21 GLN 10 1HE2 GLN 10 -14.482 -20.261 -3.860
76 HE22 GLN 10 2HE2 GLN 10 -15.768 -21.323 -4.311
77 H GLN 11 H GLN 11 -9.216 -20.151 -1.608
78 HA GLN 11 HA GLN 11 -6.846 -21.334 -2.423
79 HB2 GLN 11 2HB GLN 11 -6.161 -21.274 -0.158
80 HB3 GLN 11 3HB GLN 11 -7.249 -19.908 -0.365
81 HG2 GLN 11 2HG GLN 11 -8.887 -22.015 0.422
82 HG3 GLN 11 3HG GLN 11 -7.440 -22.159 1.419
83 HE21 GLN 11 1HE2 GLN 11 -6.666 -19.887 2.198
84 HE22 GLN 11 2HE2 GLN 11 -7.902 -18.915 2.915
85 HA PRO 12 HA PRO 12 -7.479 -25.677 -2.379
86 HB2 PRO 12 2HB PRO 12 -5.028 -26.548 -1.601
87 HB3 PRO 12 3HB PRO 12 -5.343 -25.871 -3.203
88 HG2 PRO 12 2HG PRO 12 -4.152 -24.557 -0.792
89 HG3 PRO 12 3HG PRO 12 -3.647 -24.450 -2.489
90 HD2 PRO 12 2HD PRO 12 -5.109 -22.518 -1.280
91 HD3 PRO 12 3HD PRO 12 -5.272 -22.900 -3.006
92 H TYR 13 H TYR 13 -8.605 -26.819 -0.947
93 HA TYR 13 HA TYR 13 -8.849 -26.351 1.741
94 HB2 TYR 13 2HB TYR 13 -10.390 -27.784 0.497
95 HB3 TYR 13 3HB TYR 13 -9.136 -29.007 0.321
96 HD1 TYR 13 HD1 TYR 13 -9.863 -30.861 1.515
97 HD2 TYR 13 HD2 TYR 13 -10.161 -27.011 3.301
98 HE1 TYR 13 HE1 TYR 13 -10.579 -31.902 3.626
99 HE2 TYR 13 HE2 TYR 13 -10.876 -28.041 5.417
100 HH TYR 13 HH TYR 13 -10.469 -30.534 6.480
Start of MODEL 29
1 H1 LEU 1 H LEU 1 0.395 0.819 -8.747
2 HA LEU 1 HA LEU 1 1.060 -0.648 -7.086
3 HB2 LEU 1 2HB LEU 1 3.234 0.270 -6.041
4 HB3 LEU 1 3HB LEU 1 3.165 -0.013 -7.779
5 HG LEU 1 HG LEU 1 2.540 2.719 -6.786
6 HD11 LEU 1 1HD1 LEU 1 5.374 1.761 -7.102
7 HD12 LEU 1 2HD1 LEU 1 4.575 1.935 -5.540
8 HD13 LEU 1 3HD1 LEU 1 4.817 3.347 -6.569
9 HD21 LEU 1 1HD2 LEU 1 3.950 3.189 -8.885
10 HD22 LEU 1 2HD2 LEU 1 2.339 2.502 -9.097
11 HD23 LEU 1 3HD2 LEU 1 3.763 1.468 -9.220
12 H GLY 2 H GLY 2 0.235 -1.180 -5.179
13 HA2 GLY 2 2HA GLY 2 0.611 -0.221 -2.729
14 HA3 GLY 2 3HA GLY 2 -0.575 0.927 -3.334
15 H GLN 3 H GLN 3 -2.593 -0.080 -4.261
16 HA GLN 3 HA GLN 3 -4.055 -1.397 -2.409
17 HB2 GLN 3 2HB GLN 3 -4.338 -1.830 -5.386
18 HB3 GLN 3 3HB GLN 3 -5.592 -2.064 -4.176
19 HG2 GLN 3 2HG GLN 3 -5.562 0.318 -3.669
20 HG3 GLN 3 3HG GLN 3 -4.287 0.560 -4.863
21 HE21 GLN 3 1HE2 GLN 3 -6.276 2.099 -5.328
22 HE22 GLN 3 2HE2 GLN 3 -7.322 1.525 -6.577
23 H GLN 4 H GLN 4 -3.942 -3.306 -1.446
24 HA GLN 4 HA GLN 4 -2.086 -5.274 -1.981
25 HB2 GLN 4 2HB GLN 4 -3.676 -6.788 -0.665
26 HB3 GLN 4 3HB GLN 4 -3.099 -5.334 0.137
27 HG2 GLN 4 2HG GLN 4 -5.146 -4.312 0.069
28 HG3 GLN 4 3HG GLN 4 -5.676 -5.227 -1.341
29 HE21 GLN 4 1HE2 GLN 4 -7.101 -4.800 1.114
30 HE22 GLN 4 2HE2 GLN 4 -7.386 -6.355 1.809
31 H GLN 5 H GLN 5 -2.111 -7.246 -3.046
32 HA GLN 5 HA GLN 5 -3.792 -7.351 -5.379
33 HB2 GLN 5 2HB GLN 5 -1.472 -7.973 -5.609
34 HB3 GLN 5 3HB GLN 5 -1.632 -9.198 -4.357
35 HG2 GLN 5 2HG GLN 5 -3.283 -10.360 -5.841
36 HG3 GLN 5 3HG GLN 5 -2.838 -9.218 -7.108
37 HE21 GLN 5 1HE2 GLN 5 -1.526 -11.651 -4.918
38 HE22 GLN 5 2HE2 GLN 5 -0.234 -12.146 -5.952
39 HA PRO 6 HA PRO 6 -6.956 -9.912 -3.680
40 HB2 PRO 6 2HB PRO 6 -8.021 -10.802 -6.013
41 HB3 PRO 6 3HB PRO 6 -8.270 -9.160 -5.408
42 HG2 PRO 6 2HG PRO 6 -6.343 -10.145 -7.476
43 HG3 PRO 6 3HG PRO 6 -7.356 -8.689 -7.493
44 HD2 PRO 6 2HD PRO 6 -4.722 -8.624 -6.866
45 HD3 PRO 6 3HD PRO 6 -5.903 -7.510 -6.148
46 H PHE 7 H PHE 7 -6.618 -11.832 -2.769
47 HA PHE 7 HA PHE 7 -4.731 -13.703 -3.446
48 HB2 PHE 7 2HB PHE 7 -6.263 -15.350 -2.196
49 HB3 PHE 7 3HB PHE 7 -5.704 -13.930 -1.320
50 HD1 PHE 7 HD1 PHE 7 -7.224 -12.486 -0.318
51 HD2 PHE 7 HD2 PHE 7 -8.581 -15.251 -3.256
52 HE1 PHE 7 HE1 PHE 7 -9.554 -11.884 0.196
53 HE2 PHE 7 HE2 PHE 7 -10.912 -14.653 -2.747
54 HZ PHE 7 HZ PHE 7 -11.402 -12.968 -1.020
55 HA PRO 8 HA PRO 8 -6.109 -15.950 -6.952
56 HB2 PRO 8 2HB PRO 8 -5.271 -18.465 -6.364
57 HB3 PRO 8 3HB PRO 8 -4.162 -17.162 -6.806
58 HG2 PRO 8 2HG PRO 8 -4.866 -18.212 -4.092
59 HG3 PRO 8 3HG PRO 8 -3.277 -17.765 -4.741
60 HD2 PRO 8 2HD PRO 8 -4.695 -16.135 -3.110
61 HD3 PRO 8 3HD PRO 8 -3.624 -15.515 -4.382
62 HA PRO 9 HA PRO 9 -9.965 -17.962 -6.308
63 HB2 PRO 9 2HB PRO 9 -9.980 -19.868 -8.241
64 HB3 PRO 9 3HB PRO 9 -10.154 -18.144 -8.591
65 HG2 PRO 9 2HG PRO 9 -7.723 -19.880 -8.785
66 HG3 PRO 9 3HG PRO 9 -8.306 -18.641 -9.911
67 HD2 PRO 9 2HD PRO 9 -6.307 -18.178 -8.144
68 HD3 PRO 9 3HD PRO 9 -7.442 -16.912 -8.654
69 H GLN 10 H GLN 10 -11.009 -19.852 -5.528
70 HA GLN 10 HA GLN 10 -11.196 -21.744 -4.281
71 HB2 GLN 10 2HB GLN 10 -9.921 -22.574 -6.433
72 HB3 GLN 10 3HB GLN 10 -8.584 -22.772 -5.308
73 HG2 GLN 10 2HG GLN 10 -9.609 -24.858 -5.364
74 HG3 GLN 10 3HG GLN 10 -10.206 -24.119 -3.879
75 HE21 GLN 10 1HE2 GLN 10 -11.213 -26.136 -5.999
76 HE22 GLN 10 2HE2 GLN 10 -12.846 -25.636 -6.259
77 H GLN 11 H GLN 11 -10.967 -21.077 -2.215
78 HA GLN 11 HA GLN 11 -8.691 -20.060 -1.001
79 HB2 GLN 11 2HB GLN 11 -9.791 -20.365 1.073
80 HB3 GLN 11 3HB GLN 11 -11.063 -20.071 -0.104
81 HG2 GLN 11 2HG GLN 11 -10.958 -22.754 -0.198
82 HG3 GLN 11 3HG GLN 11 -10.455 -22.481 1.470
83 HE21 GLN 11 1HE2 GLN 11 -12.011 -22.339 2.911
84 HE22 GLN 11 2HE2 GLN 11 -13.661 -21.934 2.594
85 HA PRO 12 HA PRO 12 -5.961 -23.432 -0.339
86 HB2 PRO 12 2HB PRO 12 -4.810 -22.711 2.012
87 HB3 PRO 12 3HB PRO 12 -4.462 -21.896 0.482
88 HG2 PRO 12 2HG PRO 12 -6.312 -21.075 2.688
89 HG3 PRO 12 3HG PRO 12 -5.176 -20.085 1.754
90 HD2 PRO 12 2HD PRO 12 -7.832 -20.140 1.231
91 HD3 PRO 12 3HD PRO 12 -6.613 -19.902 -0.038
92 H TYR 13 H TYR 13 -7.688 -24.999 -0.027
93 HA TYR 13 HA TYR 13 -9.068 -25.562 2.271
94 HB2 TYR 13 2HB TYR 13 -9.207 -26.739 0.017
95 HB3 TYR 13 3HB TYR 13 -7.848 -27.722 0.552
96 HD1 TYR 13 HD1 TYR 13 -10.855 -26.527 2.412
97 HD2 TYR 13 HD2 TYR 13 -8.679 -29.859 0.906
98 HE1 TYR 13 HE1 TYR 13 -12.414 -28.052 3.550
99 HE2 TYR 13 HE2 TYR 13 -10.233 -31.393 2.039
100 HH TYR 13 HH TYR 13 -12.055 -30.730 4.429
Start of MODEL 30
1 H1 LEU 1 H LEU 1 4.391 2.218 -2.771
2 HA LEU 1 HA LEU 1 2.044 1.908 -1.872
3 HB2 LEU 1 2HB LEU 1 0.345 2.262 -3.750
4 HB3 LEU 1 3HB LEU 1 0.933 3.679 -2.883
5 HG LEU 1 HG LEU 1 2.413 3.015 -5.338
6 HD11 LEU 1 1HD1 LEU 1 -0.459 3.108 -5.375
7 HD12 LEU 1 2HD1 LEU 1 0.671 2.817 -6.696
8 HD13 LEU 1 3HD1 LEU 1 0.216 4.467 -6.273
9 HD21 LEU 1 1HD2 LEU 1 2.906 5.014 -4.085
10 HD22 LEU 1 2HD2 LEU 1 1.221 5.528 -4.172
11 HD23 LEU 1 3HD2 LEU 1 2.200 5.461 -5.638
12 H GLY 2 H GLY 2 0.729 0.068 -2.573
13 HA2 GLY 2 2HA GLY 2 1.592 -1.459 -4.861
14 HA3 GLY 2 3HA GLY 2 2.126 -2.135 -3.330
15 H GLN 3 H GLN 3 -0.744 -1.137 -5.143
16 HA GLN 3 HA GLN 3 -2.795 -1.925 -3.570
17 HB2 GLN 3 2HB GLN 3 -2.570 -2.614 -6.504
18 HB3 GLN 3 3HB GLN 3 -4.059 -2.459 -5.581
19 HG2 GLN 3 2HG GLN 3 -3.610 -0.091 -5.234
20 HG3 GLN 3 3HG GLN 3 -2.103 -0.240 -6.136
21 HE21 GLN 3 1HE2 GLN 3 -5.280 0.622 -6.333
22 HE22 GLN 3 2HE2 GLN 3 -5.497 0.517 -8.043
23 H GLN 4 H GLN 4 -3.035 -3.670 -2.348
24 HA GLN 4 HA GLN 4 -1.654 -6.050 -2.535
25 HB2 GLN 4 2HB GLN 4 -3.614 -7.009 -1.196
26 HB3 GLN 4 3HB GLN 4 -2.761 -5.635 -0.505
27 HG2 GLN 4 2HG GLN 4 -4.563 -4.322 -0.583
28 HG3 GLN 4 3HG GLN 4 -5.024 -4.886 -2.188
29 HE21 GLN 4 1HE2 GLN 4 -5.458 -5.247 1.204
30 HE22 GLN 4 2HE2 GLN 4 -6.737 -6.406 1.139
31 H GLN 5 H GLN 5 -1.896 -7.946 -3.598
32 HA GLN 5 HA GLN 5 -3.647 -7.971 -5.886
33 HB2 GLN 5 2HB GLN 5 -1.361 -8.831 -6.061
34 HB3 GLN 5 3HB GLN 5 -1.720 -10.060 -4.856
35 HG2 GLN 5 2HG GLN 5 -1.990 -11.300 -6.731
36 HG3 GLN 5 3HG GLN 5 -3.631 -10.674 -6.572
37 HE21 GLN 5 1HE2 GLN 5 -2.925 -11.541 -8.978
38 HE22 GLN 5 2HE2 GLN 5 -2.653 -10.230 -10.069
39 HA PRO 6 HA PRO 6 -6.993 -10.109 -3.959
40 HB2 PRO 6 2HB PRO 6 -8.251 -10.946 -6.215
41 HB3 PRO 6 3HB PRO 6 -8.295 -9.270 -5.656
42 HG2 PRO 6 2HG PRO 6 -6.578 -10.518 -7.767
43 HG3 PRO 6 3HG PRO 6 -7.429 -8.962 -7.792
44 HD2 PRO 6 2HD PRO 6 -4.778 -9.166 -7.276
45 HD3 PRO 6 3HD PRO 6 -5.799 -7.909 -6.548
46 H PHE 7 H PHE 7 -6.818 -12.025 -2.997
47 HA PHE 7 HA PHE 7 -5.176 -14.109 -3.689
48 HB2 PHE 7 2HB PHE 7 -6.815 -15.543 -2.317
49 HB3 PHE 7 3HB PHE 7 -6.067 -14.165 -1.516
50 HD1 PHE 7 HD1 PHE 7 -7.382 -12.579 -0.458
51 HD2 PHE 7 HD2 PHE 7 -9.151 -15.183 -3.322
52 HE1 PHE 7 HE1 PHE 7 -9.608 -11.714 0.136
53 HE2 PHE 7 HE2 PHE 7 -11.379 -14.322 -2.734
54 HZ PHE 7 HZ PHE 7 -11.610 -12.585 -1.004
55 HA PRO 8 HA PRO 8 -6.950 -16.298 -7.052
56 HB2 PRO 8 2HB PRO 8 -6.360 -18.870 -6.414
57 HB3 PRO 8 3HB PRO 8 -5.139 -17.709 -6.948
58 HG2 PRO 8 2HG PRO 8 -5.823 -18.595 -4.172
59 HG3 PRO 8 3HG PRO 8 -4.228 -18.342 -4.905
60 HD2 PRO 8 2HD PRO 8 -5.385 -16.520 -3.271
61 HD3 PRO 8 3HD PRO 8 -4.314 -16.058 -4.610
62 HA PRO 9 HA PRO 9 -10.965 -17.859 -6.171
63 HB2 PRO 9 2HB PRO 9 -11.274 -19.810 -8.034
64 HB3 PRO 9 3HB PRO 9 -11.280 -18.088 -8.435
65 HG2 PRO 9 2HG PRO 9 -9.060 -20.082 -8.675
66 HG3 PRO 9 3HG PRO 9 -9.559 -18.821 -9.817
67 HD2 PRO 9 2HD PRO 9 -7.442 -18.526 -8.156
68 HD3 PRO 9 3HD PRO 9 -8.458 -17.160 -8.660
69 H GLN 10 H GLN 10 -11.461 -18.991 -4.406
70 HA GLN 10 HA GLN 10 -11.671 -20.692 -2.911
71 HB2 GLN 10 2HB GLN 10 -12.299 -21.848 -5.167
72 HB3 GLN 10 3HB GLN 10 -10.746 -22.652 -4.981
73 HG2 GLN 10 2HG GLN 10 -11.451 -23.540 -2.826
74 HG3 GLN 10 3HG GLN 10 -13.001 -22.716 -2.989
75 HE21 GLN 10 1HE2 GLN 10 -13.494 -25.129 -2.585
76 HE22 GLN 10 2HE2 GLN 10 -13.776 -26.071 -4.005
77 H GLN 11 H GLN 11 -10.065 -20.257 -1.475
78 HA GLN 11 HA GLN 11 -7.336 -20.458 -1.839
79 HB2 GLN 11 2HB GLN 11 -7.276 -20.850 0.687
80 HB3 GLN 11 3HB GLN 11 -8.062 -19.383 0.121
81 HG2 GLN 11 2HG GLN 11 -10.202 -20.226 0.561
82 HG3 GLN 11 3HG GLN 11 -9.611 -21.880 0.709
83 HE21 GLN 11 1HE2 GLN 11 -11.211 -20.424 2.589
84 HE22 GLN 11 2HE2 GLN 11 -10.303 -20.323 4.055
85 HA PRO 12 HA PRO 12 -6.284 -24.713 -2.006
86 HB2 PRO 12 2HB PRO 12 -3.915 -24.740 -0.680
87 HB3 PRO 12 3HB PRO 12 -4.104 -24.047 -2.295
88 HG2 PRO 12 2HG PRO 12 -4.035 -22.669 0.361
89 HG3 PRO 12 3HG PRO 12 -3.252 -22.205 -1.161
90 HD2 PRO 12 2HD PRO 12 -5.550 -21.062 -0.296
91 HD3 PRO 12 3HD PRO 12 -5.183 -21.284 -2.019
92 H TYR 13 H TYR 13 -7.947 -25.610 -0.719
93 HA TYR 13 HA TYR 13 -8.210 -25.619 2.008
94 HB2 TYR 13 2HB TYR 13 -9.761 -26.672 0.312
95 HB3 TYR 13 3HB TYR 13 -8.680 -28.061 0.294
96 HD1 TYR 13 HD1 TYR 13 -10.675 -25.969 2.653
97 HD2 TYR 13 HD2 TYR 13 -9.041 -29.801 1.787
98 HE1 TYR 13 HE1 TYR 13 -11.860 -26.907 4.594
99 HE2 TYR 13 HE2 TYR 13 -10.223 -30.749 3.725
100 HH TYR 13 HH TYR 13 -12.717 -29.438 5.181
Start of MODEL 31
1 H1 LEU 1 H LEU 1 3.880 2.957 -1.925
2 HA LEU 1 HA LEU 1 1.567 1.558 -1.566
3 HB2 LEU 1 2HB LEU 1 2.596 3.344 -3.485
4 HB3 LEU 1 3HB LEU 1 1.913 1.987 -4.377
5 HG LEU 1 HG LEU 1 0.255 3.708 -4.184
6 HD11 LEU 1 1HD1 LEU 1 -1.534 2.488 -3.068
7 HD12 LEU 1 2HD1 LEU 1 -0.347 1.461 -2.266
8 HD13 LEU 1 3HD1 LEU 1 -0.523 1.400 -4.020
9 HD21 LEU 1 1HD2 LEU 1 0.428 5.104 -2.453
10 HD22 LEU 1 2HD2 LEU 1 1.317 3.927 -1.486
11 HD23 LEU 1 3HD2 LEU 1 -0.446 3.886 -1.523
12 H GLY 2 H GLY 2 0.617 -0.294 -2.393
13 HA2 GLY 2 2HA GLY 2 1.918 -1.977 -4.301
14 HA3 GLY 2 3HA GLY 2 2.133 -2.575 -2.663
15 H GLN 3 H GLN 3 -0.438 -1.411 -4.837
16 HA GLN 3 HA GLN 3 -2.673 -2.304 -3.609
17 HB2 GLN 3 2HB GLN 3 -2.106 -2.696 -6.552
18 HB3 GLN 3 3HB GLN 3 -3.693 -2.598 -5.801
19 HG2 GLN 3 2HG GLN 3 -3.259 -0.290 -5.158
20 HG3 GLN 3 3HG GLN 3 -1.656 -0.384 -5.886
21 HE21 GLN 3 1HE2 GLN 3 -4.769 0.583 -6.366
22 HE22 GLN 3 2HE2 GLN 3 -4.783 0.654 -8.092
23 H GLN 4 H GLN 4 -2.979 -4.153 -2.556
24 HA GLN 4 HA GLN 4 -1.642 -6.540 -2.901
25 HB2 GLN 4 2HB GLN 4 -3.703 -7.573 -1.789
26 HB3 GLN 4 3HB GLN 4 -2.865 -6.301 -0.911
27 HG2 GLN 4 2HG GLN 4 -4.616 -4.909 -0.999
28 HG3 GLN 4 3HG GLN 4 -5.025 -5.362 -2.652
29 HE21 GLN 4 1HE2 GLN 4 -7.221 -5.436 -2.118
30 HE22 GLN 4 2HE2 GLN 4 -7.892 -6.747 -1.215
31 H GLN 5 H GLN 5 -2.055 -8.461 -3.981
32 HA GLN 5 HA GLN 5 -3.537 -8.163 -6.453
33 HB2 GLN 5 2HB GLN 5 -1.311 -9.186 -6.493
34 HB3 GLN 5 3HB GLN 5 -1.867 -10.460 -5.415
35 HG2 GLN 5 2HG GLN 5 -2.043 -11.543 -7.399
36 HG3 GLN 5 3HG GLN 5 -3.649 -10.820 -7.322
37 HE21 GLN 5 1HE2 GLN 5 -2.009 -11.651 -9.619
38 HE22 GLN 5 2HE2 GLN 5 -1.875 -10.252 -10.624
39 HA PRO 6 HA PRO 6 -7.189 -10.156 -4.980
40 HB2 PRO 6 2HB PRO 6 -8.293 -10.741 -7.390
41 HB3 PRO 6 3HB PRO 6 -8.267 -9.107 -6.717
42 HG2 PRO 6 2HG PRO 6 -6.460 -10.344 -8.758
43 HG3 PRO 6 3HG PRO 6 -7.191 -8.728 -8.743
44 HD2 PRO 6 2HD PRO 6 -4.620 -9.172 -8.018
45 HD3 PRO 6 3HD PRO 6 -5.610 -7.889 -7.291
46 H PHE 7 H PHE 7 -6.353 -12.031 -4.026
47 HA PHE 7 HA PHE 7 -5.190 -14.210 -5.216
48 HB2 PHE 7 2HB PHE 7 -6.325 -15.545 -3.331
49 HB3 PHE 7 3HB PHE 7 -5.260 -14.222 -2.868
50 HD1 PHE 7 HD1 PHE 7 -8.849 -14.953 -3.532
51 HD2 PHE 7 HD2 PHE 7 -6.008 -12.640 -1.367
52 HE1 PHE 7 HE1 PHE 7 -10.671 -13.957 -2.213
53 HE2 PHE 7 HE2 PHE 7 -7.825 -11.640 -0.044
54 HZ PHE 7 HZ PHE 7 -10.160 -12.298 -0.465
55 HA PRO 8 HA PRO 8 -8.164 -16.265 -7.702
56 HB2 PRO 8 2HB PRO 8 -7.543 -18.872 -7.269
57 HB3 PRO 8 3HB PRO 8 -6.521 -17.787 -8.218
58 HG2 PRO 8 2HG PRO 8 -6.236 -18.643 -5.364
59 HG3 PRO 8 3HG PRO 8 -4.989 -18.487 -6.615
60 HD2 PRO 8 2HD PRO 8 -5.384 -16.604 -4.710
61 HD3 PRO 8 3HD PRO 8 -4.827 -16.204 -6.347
62 HA PRO 9 HA PRO 9 -11.698 -17.576 -5.439
63 HB2 PRO 9 2HB PRO 9 -12.761 -19.493 -7.041
64 HB3 PRO 9 3HB PRO 9 -12.803 -17.772 -7.444
65 HG2 PRO 9 2HG PRO 9 -10.935 -19.900 -8.415
66 HG3 PRO 9 3HG PRO 9 -11.727 -18.604 -9.330
67 HD2 PRO 9 2HD PRO 9 -9.146 -18.451 -8.525
68 HD3 PRO 9 3HD PRO 9 -10.190 -17.022 -8.663
69 H GLN 10 H GLN 10 -12.240 -18.966 -3.837
70 HA GLN 10 HA GLN 10 -12.110 -20.705 -2.378
71 HB2 GLN 10 2HB GLN 10 -12.157 -21.872 -4.997
72 HB3 GLN 10 3HB GLN 10 -11.117 -22.834 -3.955
73 HG2 GLN 10 2HG GLN 10 -13.153 -22.584 -2.293
74 HG3 GLN 10 3HG GLN 10 -14.038 -22.347 -3.799
75 HE21 GLN 10 1HE2 GLN 10 -11.643 -24.511 -2.334
76 HE22 GLN 10 2HE2 GLN 10 -12.268 -25.960 -3.036
77 H GLN 11 H GLN 11 -10.468 -20.103 -1.047
78 HA GLN 11 HA GLN 11 -7.763 -19.980 -1.631
79 HB2 GLN 11 2HB GLN 11 -7.373 -19.859 0.701
80 HB3 GLN 11 3HB GLN 11 -8.951 -19.129 0.442
81 HG2 GLN 11 2HG GLN 11 -9.986 -21.298 1.085
82 HG3 GLN 11 3HG GLN 11 -8.376 -21.885 1.498
83 HE21 GLN 11 1HE2 GLN 11 -7.270 -20.927 3.247
84 HE22 GLN 11 2HE2 GLN 11 -8.125 -20.085 4.491
85 HA PRO 12 HA PRO 12 -6.301 -24.108 -1.919
86 HB2 PRO 12 2HB PRO 12 -3.800 -23.843 -0.897
87 HB3 PRO 12 3HB PRO 12 -4.261 -23.215 -2.484
88 HG2 PRO 12 2HG PRO 12 -4.022 -21.773 0.129
89 HG3 PRO 12 3HG PRO 12 -3.487 -21.263 -1.484
90 HD2 PRO 12 2HD PRO 12 -5.775 -20.357 -0.353
91 HD3 PRO 12 3HD PRO 12 -5.599 -20.580 -2.106
92 H TYR 13 H TYR 13 -7.713 -25.109 -0.407
93 HA TYR 13 HA TYR 13 -7.603 -25.087 2.330
94 HB2 TYR 13 2HB TYR 13 -9.278 -26.299 0.890
95 HB3 TYR 13 3HB TYR 13 -8.089 -27.583 0.697
96 HD1 TYR 13 HD1 TYR 13 -9.392 -25.584 3.583
97 HD2 TYR 13 HD2 TYR 13 -8.561 -29.435 1.975
98 HE1 TYR 13 HE1 TYR 13 -10.180 -26.619 5.670
99 HE2 TYR 13 HE2 TYR 13 -9.349 -30.481 4.057
100 HH TYR 13 HH TYR 13 -10.877 -28.610 6.590
Start of MODEL 32
1 H1 LEU 1 H LEU 1 3.249 0.803 -6.177
2 HA LEU 1 HA LEU 1 2.020 -1.559 -5.122
3 HB2 LEU 1 2HB LEU 1 4.382 -0.140 -4.681
4 HB3 LEU 1 3HB LEU 1 3.483 -0.014 -3.170
5 HG LEU 1 HG LEU 1 3.759 -2.710 -4.385
6 HD11 LEU 1 1HD1 LEU 1 6.020 -1.120 -4.086
7 HD12 LEU 1 2HD1 LEU 1 5.968 -2.876 -4.237
8 HD13 LEU 1 3HD1 LEU 1 5.982 -2.129 -2.639
9 HD21 LEU 1 1HD2 LEU 1 2.615 -2.883 -2.426
10 HD22 LEU 1 2HD2 LEU 1 3.402 -1.476 -1.710
11 HD23 LEU 1 3HD2 LEU 1 4.257 -3.017 -1.796
12 H GLY 2 H GLY 2 -0.072 -1.384 -4.544
13 HA2 GLY 2 2HA GLY 2 -0.761 0.030 -2.187
14 HA3 GLY 2 3HA GLY 2 -1.379 0.880 -3.595
15 H GLN 3 H GLN 3 -3.045 -0.024 -4.806
16 HA GLN 3 HA GLN 3 -5.075 -1.304 -3.563
17 HB2 GLN 3 2HB GLN 3 -4.348 -1.733 -6.465
18 HB3 GLN 3 3HB GLN 3 -5.942 -1.936 -5.749
19 HG2 GLN 3 2HG GLN 3 -6.030 0.445 -5.245
20 HG3 GLN 3 3HG GLN 3 -4.423 0.656 -5.938
21 HE21 GLN 3 1HE2 GLN 3 -4.151 0.424 -8.183
22 HE22 GLN 3 2HE2 GLN 3 -5.485 0.577 -9.270
23 H GLN 4 H GLN 4 -5.076 -3.132 -2.441
24 HA GLN 4 HA GLN 4 -3.234 -5.182 -2.562
25 HB2 GLN 4 2HB GLN 4 -5.095 -6.587 -1.505
26 HB3 GLN 4 3HB GLN 4 -4.614 -5.121 -0.662
27 HG2 GLN 4 2HG GLN 4 -6.606 -4.131 -0.963
28 HG3 GLN 4 3HG GLN 4 -6.813 -4.799 -2.582
29 HE21 GLN 4 1HE2 GLN 4 -7.078 -7.288 -2.518
30 HE22 GLN 4 2HE2 GLN 4 -8.232 -7.870 -1.371
31 H GLN 5 H GLN 5 -2.967 -7.004 -3.736
32 HA GLN 5 HA GLN 5 -4.320 -7.208 -6.244
33 HB2 GLN 5 2HB GLN 5 -1.952 -7.791 -6.015
34 HB3 GLN 5 3HB GLN 5 -2.370 -9.097 -4.914
35 HG2 GLN 5 2HG GLN 5 -2.157 -10.294 -6.821
36 HG3 GLN 5 3HG GLN 5 -3.859 -9.856 -6.963
37 HE21 GLN 5 1HE2 GLN 5 -3.462 -10.285 -9.248
38 HE22 GLN 5 2HE2 GLN 5 -2.821 -9.020 -10.235
39 HA PRO 6 HA PRO 6 -7.673 -9.789 -4.988
40 HB2 PRO 6 2HB PRO 6 -8.399 -10.682 -7.447
41 HB3 PRO 6 3HB PRO 6 -8.743 -9.044 -6.880
42 HG2 PRO 6 2HG PRO 6 -6.541 -10.007 -8.664
43 HG3 PRO 6 3HG PRO 6 -7.554 -8.560 -8.819
44 HD2 PRO 6 2HD PRO 6 -5.034 -8.474 -7.834
45 HD3 PRO 6 3HD PRO 6 -6.312 -7.371 -7.284
46 H PHE 7 H PHE 7 -6.787 -11.485 -3.851
47 HA PHE 7 HA PHE 7 -5.042 -13.426 -4.695
48 HB2 PHE 7 2HB PHE 7 -6.253 -14.920 -2.985
49 HB3 PHE 7 3HB PHE 7 -5.554 -13.414 -2.402
50 HD1 PHE 7 HD1 PHE 7 -8.737 -14.944 -3.536
51 HD2 PHE 7 HD2 PHE 7 -6.869 -11.850 -1.287
52 HE1 PHE 7 HE1 PHE 7 -10.927 -14.287 -2.627
53 HE2 PHE 7 HE2 PHE 7 -9.056 -11.189 -0.374
54 HZ PHE 7 HZ PHE 7 -11.089 -12.408 -1.043
55 HA PRO 8 HA PRO 8 -7.065 -16.042 -7.577
56 HB2 PRO 8 2HB PRO 8 -6.076 -18.479 -6.904
57 HB3 PRO 8 3HB PRO 8 -5.106 -17.236 -7.703
58 HG2 PRO 8 2HG PRO 8 -5.218 -17.978 -4.806
59 HG3 PRO 8 3HG PRO 8 -3.806 -17.611 -5.813
60 HD2 PRO 8 2HD PRO 8 -4.891 -15.806 -4.111
61 HD3 PRO 8 3HD PRO 8 -4.115 -15.333 -5.636
62 HA PRO 9 HA PRO 9 -10.668 -17.957 -5.938
63 HB2 PRO 9 2HB PRO 9 -11.041 -20.065 -7.608
64 HB3 PRO 9 3HB PRO 9 -11.317 -18.389 -8.099
65 HG2 PRO 9 2HG PRO 9 -8.944 -20.144 -8.601
66 HG3 PRO 9 3HG PRO 9 -9.770 -19.034 -9.710
67 HD2 PRO 9 2HD PRO 9 -7.461 -18.386 -8.453
68 HD3 PRO 9 3HD PRO 9 -8.701 -17.181 -8.853
69 H GLN 10 H GLN 10 -11.511 -19.785 -4.803
70 HA GLN 10 HA GLN 10 -11.404 -21.536 -3.356
71 HB2 GLN 10 2HB GLN 10 -10.603 -22.632 -5.557
72 HB3 GLN 10 3HB GLN 10 -9.000 -22.564 -4.838
73 HG2 GLN 10 2HG GLN 10 -9.730 -23.928 -2.986
74 HG3 GLN 10 3HG GLN 10 -11.382 -23.927 -3.603
75 HE21 GLN 10 1HE2 GLN 10 -11.895 -25.781 -4.494
76 HE22 GLN 10 2HE2 GLN 10 -10.853 -26.794 -5.427
77 H GLN 11 H GLN 11 -10.831 -20.563 -1.471
78 HA GLN 11 HA GLN 11 -8.412 -19.414 -0.800
79 HB2 GLN 11 2HB GLN 11 -9.110 -19.501 1.461
80 HB3 GLN 11 3HB GLN 11 -10.583 -19.360 0.510
81 HG2 GLN 11 2HG GLN 11 -10.383 -22.041 0.693
82 HG3 GLN 11 3HG GLN 11 -9.628 -21.557 2.211
83 HE21 GLN 11 1HE2 GLN 11 -12.536 -21.984 0.520
84 HE22 GLN 11 2HE2 GLN 11 -13.610 -21.383 1.732
85 HA PRO 12 HA PRO 12 -5.490 -22.648 -0.286
86 HB2 PRO 12 2HB PRO 12 -3.962 -21.651 1.724
87 HB3 PRO 12 3HB PRO 12 -3.923 -21.008 0.078
88 HG2 PRO 12 2HG PRO 12 -5.375 -19.972 2.482
89 HG3 PRO 12 3HG PRO 12 -4.461 -19.076 1.255
90 HD2 PRO 12 2HD PRO 12 -7.164 -19.230 1.234
91 HD3 PRO 12 3HD PRO 12 -6.202 -19.118 -0.254
92 H TYR 13 H TYR 13 -6.607 -24.425 0.473
93 HA TYR 13 HA TYR 13 -7.854 -24.807 2.882
94 HB2 TYR 13 2HB TYR 13 -7.693 -26.395 0.876
95 HB3 TYR 13 3HB TYR 13 -6.199 -26.977 1.603
96 HD1 TYR 13 HD1 TYR 13 -9.502 -26.056 3.090
97 HD2 TYR 13 HD2 TYR 13 -6.581 -29.087 2.466
98 HE1 TYR 13 HE1 TYR 13 -10.798 -27.589 4.511
99 HE2 TYR 13 HE2 TYR 13 -7.870 -30.629 3.884
100 HH TYR 13 HH TYR 13 -11.071 -29.952 4.900
Start of MODEL 33
1 H1 LEU 1 H LEU 1 2.970 0.103 1.485
2 HA LEU 1 HA LEU 1 0.830 0.822 -0.397
3 HB2 LEU 1 2HB LEU 1 2.673 2.309 -0.569
4 HB3 LEU 1 3HB LEU 1 3.828 0.978 -0.586
5 HG LEU 1 HG LEU 1 2.930 0.314 -2.814
6 HD11 LEU 1 1HD1 LEU 1 0.766 1.200 -2.880
7 HD12 LEU 1 2HD1 LEU 1 1.685 2.192 -4.011
8 HD13 LEU 1 3HD1 LEU 1 1.312 2.808 -2.401
9 HD21 LEU 1 1HD2 LEU 1 3.975 2.223 -4.032
10 HD22 LEU 1 2HD2 LEU 1 4.963 1.573 -2.724
11 HD23 LEU 1 3HD2 LEU 1 4.079 3.082 -2.495
12 H GLY 2 H GLY 2 0.168 -0.565 -1.942
13 HA2 GLY 2 2HA GLY 2 1.476 -2.513 -3.288
14 HA3 GLY 2 3HA GLY 2 1.075 -3.303 -1.771
15 H GLN 3 H GLN 3 -0.137 -2.065 -4.771
16 HA GLN 3 HA GLN 3 -2.825 -1.960 -4.512
17 HB2 GLN 3 2HB GLN 3 -1.411 -3.433 -6.741
18 HB3 GLN 3 3HB GLN 3 -3.021 -2.730 -6.814
19 HG2 GLN 3 2HG GLN 3 -2.074 -0.503 -6.541
20 HG3 GLN 3 3HG GLN 3 -0.457 -1.199 -6.441
21 HE21 GLN 3 1HE2 GLN 3 -3.009 -0.204 -8.494
22 HE22 GLN 3 2HE2 GLN 3 -2.233 -0.544 -10.000
23 H GLN 4 H GLN 4 -4.091 -3.229 -3.321
24 HA GLN 4 HA GLN 4 -3.639 -5.839 -2.554
25 HB2 GLN 4 2HB GLN 4 -6.179 -5.932 -2.250
26 HB3 GLN 4 3HB GLN 4 -5.308 -4.675 -1.382
27 HG2 GLN 4 2HG GLN 4 -6.279 -3.902 -4.041
28 HG3 GLN 4 3HG GLN 4 -7.534 -4.266 -2.857
29 HE21 GLN 4 1HE2 GLN 4 -6.462 -1.740 -4.155
30 HE22 GLN 4 2HE2 GLN 4 -6.210 -0.666 -2.826
31 H GLN 5 H GLN 5 -3.601 -7.707 -3.603
32 HA GLN 5 HA GLN 5 -4.694 -7.838 -6.307
33 HB2 GLN 5 2HB GLN 5 -2.410 -8.580 -6.073
34 HB3 GLN 5 3HB GLN 5 -2.857 -9.686 -4.781
35 HG2 GLN 5 2HG GLN 5 -4.291 -10.895 -6.444
36 HG3 GLN 5 3HG GLN 5 -3.566 -9.885 -7.693
37 HE21 GLN 5 1HE2 GLN 5 -2.269 -11.178 -8.800
38 HE22 GLN 5 2HE2 GLN 5 -1.054 -12.204 -8.126
39 HA PRO 6 HA PRO 6 -8.250 -10.102 -5.010
40 HB2 PRO 6 2HB PRO 6 -8.945 -11.137 -7.421
41 HB3 PRO 6 3HB PRO 6 -9.198 -9.441 -6.995
42 HG2 PRO 6 2HG PRO 6 -7.003 -10.682 -8.608
43 HG3 PRO 6 3HG PRO 6 -7.909 -9.189 -8.914
44 HD2 PRO 6 2HD PRO 6 -5.426 -9.189 -7.836
45 HD3 PRO 6 3HD PRO 6 -6.645 -7.966 -7.424
46 H PHE 7 H PHE 7 -7.857 -11.851 -3.778
47 HA PHE 7 HA PHE 7 -6.091 -13.906 -4.198
48 HB2 PHE 7 2HB PHE 7 -7.711 -15.279 -2.745
49 HB3 PHE 7 3HB PHE 7 -7.063 -13.791 -2.062
50 HD1 PHE 7 HD1 PHE 7 -8.495 -12.190 -1.202
51 HD2 PHE 7 HD2 PHE 7 -10.019 -15.130 -3.876
52 HE1 PHE 7 HE1 PHE 7 -10.782 -11.387 -0.776
53 HE2 PHE 7 HE2 PHE 7 -12.307 -14.332 -3.455
54 HZ PHE 7 HZ PHE 7 -12.691 -12.458 -1.904
55 HA PRO 8 HA PRO 8 -7.622 -16.508 -7.381
56 HB2 PRO 8 2HB PRO 8 -6.934 -18.969 -6.465
57 HB3 PRO 8 3HB PRO 8 -5.751 -17.804 -7.072
58 HG2 PRO 8 2HG PRO 8 -6.500 -18.444 -4.245
59 HG3 PRO 8 3HG PRO 8 -4.891 -18.183 -4.945
60 HD2 PRO 8 2HD PRO 8 -6.199 -16.270 -3.545
61 HD3 PRO 8 3HD PRO 8 -5.100 -15.888 -4.886
62 HA PRO 9 HA PRO 9 -11.589 -18.181 -6.485
63 HB2 PRO 9 2HB PRO 9 -11.729 -20.320 -8.150
64 HB3 PRO 9 3HB PRO 9 -11.802 -18.650 -8.724
65 HG2 PRO 9 2HG PRO 9 -9.480 -20.539 -8.683
66 HG3 PRO 9 3HG PRO 9 -9.995 -19.427 -9.964
67 HD2 PRO 9 2HD PRO 9 -7.961 -18.857 -8.269
68 HD3 PRO 9 3HD PRO 9 -9.022 -17.603 -8.944
69 H GLN 10 H GLN 10 -12.366 -19.347 -4.844
70 HA GLN 10 HA GLN 10 -12.587 -20.927 -3.224
71 HB2 GLN 10 2HB GLN 10 -12.176 -22.322 -5.607
72 HB3 GLN 10 3HB GLN 10 -11.078 -23.074 -4.458
73 HG2 GLN 10 2HG GLN 10 -13.292 -22.956 -2.951
74 HG3 GLN 10 3HG GLN 10 -14.022 -23.076 -4.552
75 HE21 GLN 10 1HE2 GLN 10 -14.591 -25.086 -4.933
76 HE22 GLN 10 2HE2 GLN 10 -13.666 -26.498 -4.565
77 H GLN 11 H GLN 11 -11.348 -20.111 -1.599
78 HA GLN 11 HA GLN 11 -8.599 -19.906 -1.473
79 HB2 GLN 11 2HB GLN 11 -8.826 -19.595 0.863
80 HB3 GLN 11 3HB GLN 11 -10.310 -18.974 0.151
81 HG2 GLN 11 2HG GLN 11 -11.421 -21.112 0.704
82 HG3 GLN 11 3HG GLN 11 -9.943 -21.631 1.514
83 HE21 GLN 11 1HE2 GLN 11 -12.135 -18.838 1.459
84 HE22 GLN 11 2HE2 GLN 11 -12.162 -18.610 3.171
85 HA PRO 12 HA PRO 12 -6.966 -23.955 -1.030
86 HB2 PRO 12 2HB PRO 12 -4.823 -23.477 0.566
87 HB3 PRO 12 3HB PRO 12 -4.883 -22.993 -1.133
88 HG2 PRO 12 2HG PRO 12 -5.375 -21.353 1.322
89 HG3 PRO 12 3HG PRO 12 -4.462 -20.933 -0.139
90 HD2 PRO 12 2HD PRO 12 -6.994 -20.077 0.294
91 HD3 PRO 12 3HD PRO 12 -6.366 -20.417 -1.332
92 H TYR 13 H TYR 13 -6.817 -25.717 0.380
93 HA TYR 13 HA TYR 13 -8.611 -25.918 2.439
94 HB2 TYR 13 2HB TYR 13 -7.645 -28.007 2.967
95 HB3 TYR 13 3HB TYR 13 -7.326 -27.781 1.251
96 HD1 TYR 13 HD1 TYR 13 -4.999 -26.537 0.770
97 HD2 TYR 13 HD2 TYR 13 -5.909 -28.780 4.269
98 HE1 TYR 13 HE1 TYR 13 -2.596 -26.881 1.167
99 HE2 TYR 13 HE2 TYR 13 -3.509 -29.128 4.677
100 HH TYR 13 HH TYR 13 -1.276 -27.658 3.895
Start of MODEL 34
1 H1 LEU 1 H LEU 1 2.084 2.392 0.052
2 HA LEU 1 HA LEU 1 0.886 2.062 -1.853
3 HB2 LEU 1 2HB LEU 1 3.184 3.379 -2.650
4 HB3 LEU 1 3HB LEU 1 3.094 1.998 -3.741
5 HG LEU 1 HG LEU 1 2.045 3.860 -4.803
6 HD11 LEU 1 1HD1 LEU 1 -0.068 2.948 -5.326
7 HD12 LEU 1 2HD1 LEU 1 -0.204 2.165 -3.752
8 HD13 LEU 1 3HD1 LEU 1 0.970 1.579 -4.930
9 HD21 LEU 1 1HD2 LEU 1 1.244 4.528 -2.169
10 HD22 LEU 1 2HD2 LEU 1 -0.214 4.354 -3.148
11 HD23 LEU 1 3HD2 LEU 1 1.056 5.472 -3.647
12 H GLY 2 H GLY 2 0.174 0.345 -3.084
13 HA2 GLY 2 2HA GLY 2 1.527 -1.731 -4.203
14 HA3 GLY 2 3HA GLY 2 1.412 -2.193 -2.511
15 H GLN 3 H GLN 3 -0.477 -1.347 -5.370
16 HA GLN 3 HA GLN 3 -3.040 -1.659 -4.573
17 HB2 GLN 3 2HB GLN 3 -1.890 -2.932 -7.061
18 HB3 GLN 3 3HB GLN 3 -3.572 -2.491 -6.799
19 HG2 GLN 3 2HG GLN 3 -2.950 -0.140 -6.691
20 HG3 GLN 3 3HG GLN 3 -1.258 -0.572 -6.928
21 HE21 GLN 3 1HE2 GLN 3 -1.292 0.801 -8.777
22 HE22 GLN 3 2HE2 GLN 3 -1.953 0.240 -10.271
23 H GLN 4 H GLN 4 -3.913 -3.100 -3.245
24 HA GLN 4 HA GLN 4 -2.902 -5.568 -2.544
25 HB2 GLN 4 2HB GLN 4 -5.314 -6.089 -1.863
26 HB3 GLN 4 3HB GLN 4 -4.559 -4.674 -1.140
27 HG2 GLN 4 2HG GLN 4 -5.989 -4.103 -3.618
28 HG3 GLN 4 3HG GLN 4 -7.013 -4.736 -2.330
29 HE21 GLN 4 1HE2 GLN 4 -6.644 -2.025 -3.616
30 HE22 GLN 4 2HE2 GLN 4 -6.457 -0.947 -2.279
31 H GLN 5 H GLN 5 -2.931 -7.569 -3.381
32 HA GLN 5 HA GLN 5 -4.012 -7.907 -6.053
33 HB2 GLN 5 2HB GLN 5 -1.770 -8.713 -5.672
34 HB3 GLN 5 3HB GLN 5 -2.308 -9.695 -4.315
35 HG2 GLN 5 2HG GLN 5 -3.728 -10.978 -5.933
36 HG3 GLN 5 3HG GLN 5 -2.919 -10.099 -7.229
37 HE21 GLN 5 1HE2 GLN 5 -1.902 -11.825 -8.137
38 HE22 GLN 5 2HE2 GLN 5 -0.651 -12.721 -7.353
39 HA PRO 6 HA PRO 6 -7.701 -9.927 -4.722
40 HB2 PRO 6 2HB PRO 6 -8.350 -11.124 -7.071
41 HB3 PRO 6 3HB PRO 6 -8.549 -9.391 -6.789
42 HG2 PRO 6 2HG PRO 6 -6.349 -10.837 -8.212
43 HG3 PRO 6 3HG PRO 6 -7.183 -9.341 -8.670
44 HD2 PRO 6 2HD PRO 6 -4.742 -9.348 -7.498
45 HD3 PRO 6 3HD PRO 6 -5.925 -8.051 -7.232
46 H PHE 7 H PHE 7 -7.459 -11.595 -3.354
47 HA PHE 7 HA PHE 7 -5.751 -13.734 -3.520
48 HB2 PHE 7 2HB PHE 7 -7.500 -14.937 -2.064
49 HB3 PHE 7 3HB PHE 7 -6.834 -13.425 -1.457
50 HD1 PHE 7 HD1 PHE 7 -8.282 -11.836 -0.650
51 HD2 PHE 7 HD2 PHE 7 -9.702 -14.677 -3.484
52 HE1 PHE 7 HE1 PHE 7 -10.556 -10.927 -0.417
53 HE2 PHE 7 HE2 PHE 7 -11.978 -13.772 -3.256
54 HZ PHE 7 HZ PHE 7 -12.408 -11.894 -1.721
55 HA PRO 8 HA PRO 8 -7.205 -16.516 -6.584
56 HB2 PRO 8 2HB PRO 8 -6.661 -18.923 -5.451
57 HB3 PRO 8 3HB PRO 8 -5.403 -17.848 -6.074
58 HG2 PRO 8 2HG PRO 8 -6.329 -18.246 -3.255
59 HG3 PRO 8 3HG PRO 8 -4.676 -18.093 -3.879
60 HD2 PRO 8 2HD PRO 8 -5.985 -16.036 -2.701
61 HD3 PRO 8 3HD PRO 8 -4.800 -15.795 -4.001
62 HA PRO 9 HA PRO 9 -11.275 -17.981 -5.796
63 HB2 PRO 9 2HB PRO 9 -11.405 -20.235 -7.304
64 HB3 PRO 9 3HB PRO 9 -11.383 -18.611 -8.003
65 HG2 PRO 9 2HG PRO 9 -9.141 -20.570 -7.690
66 HG3 PRO 9 3HG PRO 9 -9.542 -19.540 -9.077
67 HD2 PRO 9 2HD PRO 9 -7.584 -18.913 -7.315
68 HD3 PRO 9 3HD PRO 9 -8.557 -17.678 -8.140
69 H GLN 10 H GLN 10 -10.828 -18.462 -3.528
70 HA GLN 10 HA GLN 10 -10.942 -19.802 -1.694
71 HB2 GLN 10 2HB GLN 10 -12.792 -20.798 -3.229
72 HB3 GLN 10 3HB GLN 10 -11.661 -22.127 -3.450
73 HG2 GLN 10 2HG GLN 10 -11.585 -22.216 -0.885
74 HG3 GLN 10 3HG GLN 10 -13.049 -21.237 -0.955
75 HE21 GLN 10 1HE2 GLN 10 -12.912 -23.810 0.152
76 HE22 GLN 10 2HE2 GLN 10 -13.897 -24.863 -0.800
77 H GLN 11 H GLN 11 -8.884 -19.975 -0.985
78 HA GLN 11 HA GLN 11 -6.745 -21.216 -2.209
79 HB2 GLN 11 2HB GLN 11 -5.620 -21.113 -0.128
80 HB3 GLN 11 3HB GLN 11 -6.723 -19.744 -0.144
81 HG2 GLN 11 2HG GLN 11 -8.296 -20.988 1.244
82 HG3 GLN 11 3HG GLN 11 -7.197 -22.366 1.255
83 HE21 GLN 11 1HE2 GLN 11 -7.255 -18.900 1.994
84 HE22 GLN 11 2HE2 GLN 11 -6.249 -19.006 3.394
85 HA PRO 12 HA PRO 12 -7.371 -25.551 -1.942
86 HB2 PRO 12 2HB PRO 12 -4.817 -26.426 -1.651
87 HB3 PRO 12 3HB PRO 12 -5.444 -25.781 -3.172
88 HG2 PRO 12 2HG PRO 12 -3.790 -24.424 -1.078
89 HG3 PRO 12 3HG PRO 12 -3.635 -24.358 -2.843
90 HD2 PRO 12 2HD PRO 12 -4.819 -22.389 -1.410
91 HD3 PRO 12 3HD PRO 12 -5.325 -22.806 -3.059
92 H TYR 13 H TYR 13 -8.511 -25.648 0.050
93 HA TYR 13 HA TYR 13 -7.539 -25.462 2.604
94 HB2 TYR 13 2HB TYR 13 -9.427 -26.688 3.322
95 HB3 TYR 13 3HB TYR 13 -9.937 -25.896 1.835
96 HD1 TYR 13 HD1 TYR 13 -9.718 -27.313 -0.343
97 HD2 TYR 13 HD2 TYR 13 -9.766 -28.970 3.576
98 HE1 TYR 13 HE1 TYR 13 -10.385 -29.489 -1.277
99 HE2 TYR 13 HE2 TYR 13 -10.432 -31.150 2.652
100 HH TYR 13 HH TYR 13 -10.923 -31.594 -0.840
Start of MODEL 35
1 H1 LEU 1 H LEU 1 1.012 -0.656 -7.644
2 HA LEU 1 HA LEU 1 2.204 -0.211 -5.349
3 HB2 LEU 1 2HB LEU 1 0.639 1.918 -6.798
4 HB3 LEU 1 3HB LEU 1 1.912 2.225 -5.619
5 HG LEU 1 HG LEU 1 3.166 0.617 -7.465
6 HD11 LEU 1 1HD1 LEU 1 1.475 2.582 -8.997
7 HD12 LEU 1 2HD1 LEU 1 1.158 0.849 -8.925
8 HD13 LEU 1 3HD1 LEU 1 2.654 1.442 -9.645
9 HD21 LEU 1 1HD2 LEU 1 4.160 2.811 -8.246
10 HD22 LEU 1 2HD2 LEU 1 4.243 2.489 -6.513
11 HD23 LEU 1 3HD2 LEU 1 3.032 3.605 -7.146
12 H GLY 2 H GLY 2 1.126 -1.168 -3.595
13 HA2 GLY 2 2HA GLY 2 0.119 -0.705 -1.520
14 HA3 GLY 2 3HA GLY 2 -0.728 0.646 -2.258
15 H GLN 3 H GLN 3 -1.952 -0.590 -4.404
16 HA GLN 3 HA GLN 3 -4.338 -1.446 -3.469
17 HB2 GLN 3 2HB GLN 3 -3.006 -2.566 -5.940
18 HB3 GLN 3 3HB GLN 3 -4.734 -2.517 -5.619
19 HG2 GLN 3 2HG GLN 3 -4.686 -0.083 -5.665
20 HG3 GLN 3 3HG GLN 3 -2.948 -0.119 -5.961
21 HE21 GLN 3 1HE2 GLN 3 -6.068 -1.077 -7.284
22 HE22 GLN 3 2HE2 GLN 3 -5.585 -1.031 -8.942
23 H GLN 4 H GLN 4 -4.824 -2.979 -2.052
24 HA GLN 4 HA GLN 4 -3.231 -5.081 -1.246
25 HB2 GLN 4 2HB GLN 4 -5.432 -6.128 -0.464
26 HB3 GLN 4 3HB GLN 4 -5.033 -4.532 0.156
27 HG2 GLN 4 2HG GLN 4 -6.633 -4.565 -2.309
28 HG3 GLN 4 3HG GLN 4 -7.427 -5.208 -0.872
29 HE21 GLN 4 1HE2 GLN 4 -7.553 -3.837 1.001
30 HE22 GLN 4 2HE2 GLN 4 -7.600 -2.121 0.807
31 H GLN 5 H GLN 5 -2.562 -6.866 -2.221
32 HA GLN 5 HA GLN 5 -3.291 -7.642 -4.789
33 HB2 GLN 5 2HB GLN 5 -1.199 -8.357 -3.823
34 HB3 GLN 5 3HB GLN 5 -2.037 -9.252 -2.562
35 HG2 GLN 5 2HG GLN 5 -3.016 -10.688 -4.368
36 HG3 GLN 5 3HG GLN 5 -1.928 -9.883 -5.498
37 HE21 GLN 5 1HE2 GLN 5 -1.703 -12.517 -5.334
38 HE22 GLN 5 2HE2 GLN 5 -0.282 -12.981 -4.467
39 HA PRO 6 HA PRO 6 -7.174 -9.658 -4.223
40 HB2 PRO 6 2HB PRO 6 -7.230 -11.040 -6.559
41 HB3 PRO 6 3HB PRO 6 -7.507 -9.297 -6.468
42 HG2 PRO 6 2HG PRO 6 -5.017 -10.784 -7.210
43 HG3 PRO 6 3HG PRO 6 -5.730 -9.348 -7.967
44 HD2 PRO 6 2HD PRO 6 -3.641 -9.203 -6.251
45 HD3 PRO 6 3HD PRO 6 -4.865 -7.923 -6.375
46 H PHE 7 H PHE 7 -7.684 -11.409 -3.077
47 HA PHE 7 HA PHE 7 -5.949 -13.376 -2.275
48 HB2 PHE 7 2HB PHE 7 -8.083 -14.749 -1.842
49 HB3 PHE 7 3HB PHE 7 -7.943 -13.184 -1.047
50 HD1 PHE 7 HD1 PHE 7 -9.498 -14.952 -3.897
51 HD2 PHE 7 HD2 PHE 7 -9.517 -11.483 -1.430
52 HE1 PHE 7 HE1 PHE 7 -11.649 -14.269 -4.878
53 HE2 PHE 7 HE2 PHE 7 -11.668 -10.796 -2.407
54 HZ PHE 7 HZ PHE 7 -12.737 -12.190 -4.132
55 HA PRO 8 HA PRO 8 -5.423 -16.264 -5.536
56 HB2 PRO 8 2HB PRO 8 -5.320 -18.615 -4.183
57 HB3 PRO 8 3HB PRO 8 -4.016 -17.423 -4.137
58 HG2 PRO 8 2HG PRO 8 -6.195 -17.925 -2.147
59 HG3 PRO 8 3HG PRO 8 -4.473 -17.612 -1.865
60 HD2 PRO 8 2HD PRO 8 -6.366 -15.696 -1.588
61 HD3 PRO 8 3HD PRO 8 -4.714 -15.335 -2.129
62 HA PRO 9 HA PRO 9 -9.197 -18.112 -6.831
63 HB2 PRO 9 2HB PRO 9 -8.359 -20.358 -8.106
64 HB3 PRO 9 3HB PRO 9 -8.128 -18.735 -8.767
65 HG2 PRO 9 2HG PRO 9 -6.188 -20.475 -7.292
66 HG3 PRO 9 3HG PRO 9 -5.924 -19.478 -8.735
67 HD2 PRO 9 2HD PRO 9 -5.178 -18.680 -6.257
68 HD3 PRO 9 3HD PRO 9 -5.707 -17.538 -7.510
69 H GLN 10 H GLN 10 -9.840 -18.551 -4.576
70 HA GLN 10 HA GLN 10 -10.751 -19.908 -2.994
71 HB2 GLN 10 2HB GLN 10 -10.350 -22.189 -4.925
72 HB3 GLN 10 3HB GLN 10 -11.544 -22.062 -3.641
73 HG2 GLN 10 2HG GLN 10 -12.100 -19.871 -5.186
74 HG3 GLN 10 3HG GLN 10 -11.621 -21.077 -6.380
75 HE21 GLN 10 1HE2 GLN 10 -14.226 -19.787 -5.155
76 HE22 GLN 10 2HE2 GLN 10 -15.296 -21.142 -5.092
77 H GLN 11 H GLN 11 -9.255 -19.880 -1.392
78 HA GLN 11 HA GLN 11 -6.722 -20.976 -1.388
79 HB2 GLN 11 2HB GLN 11 -6.729 -20.738 0.968
80 HB3 GLN 11 3HB GLN 11 -7.770 -19.460 0.355
81 HG2 GLN 11 2HG GLN 11 -9.716 -21.004 0.817
82 HG3 GLN 11 3HG GLN 11 -8.575 -22.021 1.696
83 HE21 GLN 11 1HE2 GLN 11 -10.714 -21.016 3.004
84 HE22 GLN 11 2HE2 GLN 11 -10.220 -19.788 4.114
85 HA PRO 12 HA PRO 12 -7.147 -25.340 -1.201
86 HB2 PRO 12 2HB PRO 12 -4.993 -26.005 0.311
87 HB3 PRO 12 3HB PRO 12 -4.857 -25.446 -1.360
88 HG2 PRO 12 2HG PRO 12 -4.479 -23.917 1.186
89 HG3 PRO 12 3HG PRO 12 -3.507 -23.878 -0.297
90 HD2 PRO 12 2HD PRO 12 -5.343 -21.977 0.292
91 HD3 PRO 12 3HD PRO 12 -4.979 -22.469 -1.374
92 H TYR 13 H TYR 13 -8.939 -25.920 -0.059
93 HA TYR 13 HA TYR 13 -9.578 -25.434 2.559
94 HB2 TYR 13 2HB TYR 13 -11.181 -27.161 2.402
95 HB3 TYR 13 3HB TYR 13 -10.986 -26.572 0.755
96 HD1 TYR 13 HD1 TYR 13 -10.926 -29.432 2.875
97 HD2 TYR 13 HD2 TYR 13 -9.382 -27.883 -0.775
98 HE1 TYR 13 HE1 TYR 13 -10.424 -31.719 2.124
99 HE2 TYR 13 HE2 TYR 13 -8.877 -30.166 -1.537
100 HH TYR 13 HH TYR 13 -8.440 -32.392 -0.516
Start of MODEL 36
1 H1 LEU 1 H LEU 1 1.199 1.385 0.084
2 HA LEU 1 HA LEU 1 1.684 0.362 -2.183
3 HB2 LEU 1 2HB LEU 1 3.802 -0.812 -1.376
4 HB3 LEU 1 3HB LEU 1 3.614 0.900 -1.003
5 HG LEU 1 HG LEU 1 2.694 -0.985 1.076
6 HD11 LEU 1 1HD1 LEU 1 5.203 -1.002 1.834
7 HD12 LEU 1 2HD1 LEU 1 5.506 -0.876 0.101
8 HD13 LEU 1 3HD1 LEU 1 4.583 -2.237 0.738
9 HD21 LEU 1 1HD2 LEU 1 2.619 1.076 1.965
10 HD22 LEU 1 2HD2 LEU 1 3.791 1.728 0.819
11 HD23 LEU 1 3HD2 LEU 1 4.345 0.828 2.232
12 H GLY 2 H GLY 2 0.480 -1.157 -3.173
13 HA2 GLY 2 2HA GLY 2 0.972 -3.726 -3.432
14 HA3 GLY 2 3HA GLY 2 0.125 -3.766 -1.892
15 H GLN 3 H GLN 3 -0.189 -2.901 -5.299
16 HA GLN 3 HA GLN 3 -2.762 -2.107 -5.536
17 HB2 GLN 3 2HB GLN 3 -1.476 -4.186 -7.315
18 HB3 GLN 3 3HB GLN 3 -2.815 -3.130 -7.746
19 HG2 GLN 3 2HG GLN 3 -1.364 -1.186 -7.536
20 HG3 GLN 3 3HG GLN 3 -0.021 -2.233 -7.078
21 HE21 GLN 3 1HE2 GLN 3 -1.669 -0.765 -9.616
22 HE22 GLN 3 2HE2 GLN 3 -0.884 -1.570 -10.927
23 H GLN 4 H GLN 4 -4.475 -2.845 -4.461
24 HA GLN 4 HA GLN 4 -4.845 -5.350 -3.367
25 HB2 GLN 4 2HB GLN 4 -7.335 -4.773 -3.507
26 HB3 GLN 4 3HB GLN 4 -6.297 -3.657 -2.630
27 HG2 GLN 4 2HG GLN 4 -6.538 -2.988 -5.447
28 HG3 GLN 4 3HG GLN 4 -8.088 -3.003 -4.608
29 HE21 GLN 4 1HE2 GLN 4 -5.884 -0.970 -5.603
30 HE22 GLN 4 2HE2 GLN 4 -5.888 0.201 -4.334
31 H GLN 5 H GLN 5 -4.567 -7.169 -4.521
32 HA GLN 5 HA GLN 5 -5.905 -7.412 -7.120
33 HB2 GLN 5 2HB GLN 5 -3.550 -7.936 -7.184
34 HB3 GLN 5 3HB GLN 5 -3.719 -9.053 -5.836
35 HG2 GLN 5 2HG GLN 5 -5.238 -10.421 -7.287
36 HG3 GLN 5 3HG GLN 5 -4.780 -9.373 -8.628
37 HE21 GLN 5 1HE2 GLN 5 -4.076 -12.181 -7.008
38 HE22 GLN 5 2HE2 GLN 5 -2.478 -12.451 -7.606
39 HA PRO 6 HA PRO 6 -9.033 -9.969 -5.350
40 HB2 PRO 6 2HB PRO 6 -9.936 -11.110 -7.641
41 HB3 PRO 6 3HB PRO 6 -10.289 -9.436 -7.198
42 HG2 PRO 6 2HG PRO 6 -8.216 -10.501 -9.077
43 HG3 PRO 6 3HG PRO 6 -9.291 -9.104 -9.272
44 HD2 PRO 6 2HD PRO 6 -6.699 -8.855 -8.529
45 HD3 PRO 6 3HD PRO 6 -7.964 -7.742 -7.970
46 H PHE 7 H PHE 7 -8.181 -11.597 -4.151
47 HA PHE 7 HA PHE 7 -6.358 -13.516 -4.865
48 HB2 PHE 7 2HB PHE 7 -7.528 -14.952 -3.078
49 HB3 PHE 7 3HB PHE 7 -6.891 -13.388 -2.581
50 HD1 PHE 7 HD1 PHE 7 -10.013 -15.063 -3.698
51 HD2 PHE 7 HD2 PHE 7 -8.265 -11.853 -1.517
52 HE1 PHE 7 HE1 PHE 7 -12.234 -14.437 -2.845
53 HE2 PHE 7 HE2 PHE 7 -10.483 -11.223 -0.660
54 HZ PHE 7 HZ PHE 7 -12.472 -12.516 -1.323
55 HA PRO 8 HA PRO 8 -8.255 -16.373 -7.601
56 HB2 PRO 8 2HB PRO 8 -7.181 -18.727 -6.778
57 HB3 PRO 8 3HB PRO 8 -6.251 -17.497 -7.643
58 HG2 PRO 8 2HG PRO 8 -6.362 -18.071 -4.707
59 HG3 PRO 8 3HG PRO 8 -4.955 -17.710 -5.724
60 HD2 PRO 8 2HD PRO 8 -6.123 -15.850 -4.140
61 HD3 PRO 8 3HD PRO 8 -5.351 -15.440 -5.685
62 HA PRO 9 HA PRO 9 -11.798 -18.324 -5.877
63 HB2 PRO 9 2HB PRO 9 -12.077 -20.539 -7.421
64 HB3 PRO 9 3HB PRO 9 -12.411 -18.907 -8.013
65 HG2 PRO 9 2HG PRO 9 -9.969 -20.597 -8.392
66 HG3 PRO 9 3HG PRO 9 -10.825 -19.587 -9.572
67 HD2 PRO 9 2HD PRO 9 -8.554 -18.779 -8.339
68 HD3 PRO 9 3HD PRO 9 -9.834 -17.647 -8.819
69 H GLN 10 H GLN 10 -12.403 -19.782 -4.331
70 HA GLN 10 HA GLN 10 -12.209 -21.364 -2.710
71 HB2 GLN 10 2HB GLN 10 -12.024 -22.806 -4.814
72 HB3 GLN 10 3HB GLN 10 -10.291 -22.820 -4.519
73 HG2 GLN 10 2HG GLN 10 -10.579 -23.933 -2.433
74 HG3 GLN 10 3HG GLN 10 -12.329 -23.736 -2.509
75 HE21 GLN 10 1HE2 GLN 10 -10.503 -26.118 -2.366
76 HE22 GLN 10 2HE2 GLN 10 -11.029 -27.142 -3.654
77 H GLN 11 H GLN 11 -11.181 -20.304 -1.087
78 HA GLN 11 HA GLN 11 -8.551 -19.437 -1.021
79 HB2 GLN 11 2HB GLN 11 -8.816 -19.151 1.315
80 HB3 GLN 11 3HB GLN 11 -10.412 -18.902 0.618
81 HG2 GLN 11 2HG GLN 11 -10.963 -21.255 1.203
82 HG3 GLN 11 3HG GLN 11 -9.414 -21.357 2.039
83 HE21 GLN 11 1HE2 GLN 11 -12.641 -20.177 2.132
84 HE22 GLN 11 2HE2 GLN 11 -12.596 -19.540 3.737
85 HA PRO 12 HA PRO 12 -6.019 -22.990 -0.553
86 HB2 PRO 12 2HB PRO 12 -4.026 -22.004 1.004
87 HB3 PRO 12 3HB PRO 12 -4.216 -21.573 -0.700
88 HG2 PRO 12 2HG PRO 12 -5.046 -20.054 1.743
89 HG3 PRO 12 3HG PRO 12 -4.273 -19.457 0.263
90 HD2 PRO 12 2HD PRO 12 -6.929 -19.204 0.724
91 HD3 PRO 12 3HD PRO 12 -6.259 -19.414 -0.907
92 H TYR 13 H TYR 13 -6.582 -24.703 0.628
93 HA TYR 13 HA TYR 13 -7.784 -24.754 3.088
94 HB2 TYR 13 2HB TYR 13 -7.359 -27.076 3.155
95 HB3 TYR 13 3HB TYR 13 -7.427 -26.677 1.442
96 HD1 TYR 13 HD1 TYR 13 -5.396 -27.980 4.128
97 HD2 TYR 13 HD2 TYR 13 -5.292 -26.483 0.146
98 HE1 TYR 13 HE1 TYR 13 -3.174 -28.988 3.813
99 HE2 TYR 13 HE2 TYR 13 -3.071 -27.488 -0.180
100 HH TYR 13 HH TYR 13 -1.826 -29.817 1.601
Start of MODEL 37
1 H1 LEU 1 H LEU 1 -2.654 5.275 -7.019
2 HA LEU 1 HA LEU 1 -2.618 2.622 -8.214
3 HB2 LEU 1 2HB LEU 1 -0.637 4.083 -6.478
4 HB3 LEU 1 3HB LEU 1 -0.396 2.450 -7.096
5 HG LEU 1 HG LEU 1 -0.871 3.800 -9.399
6 HD11 LEU 1 1HD1 LEU 1 -0.970 5.983 -8.613
7 HD12 LEU 1 2HD1 LEU 1 0.703 5.823 -9.145
8 HD13 LEU 1 3HD1 LEU 1 0.311 5.722 -7.429
9 HD21 LEU 1 1HD2 LEU 1 0.937 2.328 -9.270
10 HD22 LEU 1 2HD2 LEU 1 1.666 3.192 -7.917
11 HD23 LEU 1 3HD2 LEU 1 1.688 3.903 -9.532
12 H GLY 2 H GLY 2 -2.347 0.696 -6.947
13 HA2 GLY 2 2HA GLY 2 -2.624 0.663 -4.125
14 HA3 GLY 2 3HA GLY 2 -4.185 0.393 -4.884
15 H GLN 3 H GLN 3 -0.898 -0.839 -4.589
16 HA GLN 3 HA GLN 3 -0.889 -3.076 -6.105
17 HB2 GLN 3 2HB GLN 3 0.030 -2.997 -3.227
18 HB3 GLN 3 3HB GLN 3 0.585 -4.113 -4.468
19 HG2 GLN 3 2HG GLN 3 1.557 -2.261 -5.715
20 HG3 GLN 3 3HG GLN 3 0.985 -1.130 -4.489
21 HE21 GLN 3 1HE2 GLN 3 3.584 -1.080 -5.041
22 HE22 GLN 3 2HE2 GLN 3 4.512 -1.798 -3.773
23 H GLN 4 H GLN 4 -2.496 -4.465 -6.444
24 HA GLN 4 HA GLN 4 -4.636 -5.017 -4.793
25 HB2 GLN 4 2HB GLN 4 -4.769 -7.209 -6.109
26 HB3 GLN 4 3HB GLN 4 -4.828 -5.711 -7.029
27 HG2 GLN 4 2HG GLN 4 -2.917 -6.148 -8.102
28 HG3 GLN 4 3HG GLN 4 -2.134 -6.787 -6.658
29 HE21 GLN 4 1HE2 GLN 4 -4.948 -7.711 -8.618
30 HE22 GLN 4 2HE2 GLN 4 -4.472 -9.357 -8.832
31 H GLN 5 H GLN 5 -5.179 -6.859 -3.502
32 HA GLN 5 HA GLN 5 -2.900 -7.807 -1.945
33 HB2 GLN 5 2HB GLN 5 -4.711 -6.849 -0.669
34 HB3 GLN 5 3HB GLN 5 -5.876 -7.916 -1.442
35 HG2 GLN 5 2HG GLN 5 -4.645 -9.844 -0.416
36 HG3 GLN 5 3HG GLN 5 -3.712 -8.664 0.503
37 HE21 GLN 5 1HE2 GLN 5 -5.618 -10.771 1.339
38 HE22 GLN 5 2HE2 GLN 5 -6.796 -9.959 2.307
39 HA PRO 6 HA PRO 6 -2.951 -11.792 -3.837
40 HB2 PRO 6 2HB PRO 6 -1.557 -13.136 -1.934
41 HB3 PRO 6 3HB PRO 6 -0.798 -12.009 -3.065
42 HG2 PRO 6 2HG PRO 6 -1.632 -11.567 -0.224
43 HG3 PRO 6 3HG PRO 6 -0.146 -11.057 -1.045
44 HD2 PRO 6 2HD PRO 6 -2.221 -9.373 -0.609
45 HD3 PRO 6 3HD PRO 6 -1.164 -9.239 -2.030
46 H PHE 7 H PHE 7 -5.163 -12.303 -3.715
47 HA PHE 7 HA PHE 7 -5.804 -14.390 -1.865
48 HB2 PHE 7 2HB PHE 7 -6.324 -12.511 -0.418
49 HB3 PHE 7 3HB PHE 7 -7.305 -11.771 -1.679
50 HD1 PHE 7 HD1 PHE 7 -9.560 -11.908 -1.340
51 HD2 PHE 7 HD2 PHE 7 -7.086 -15.105 -0.008
52 HE1 PHE 7 HE1 PHE 7 -11.545 -13.083 -0.484
53 HE2 PHE 7 HE2 PHE 7 -9.068 -16.286 0.849
54 HZ PHE 7 HZ PHE 7 -11.301 -15.275 0.610
55 HA PRO 8 HA PRO 8 -7.812 -14.585 -6.039
56 HB2 PRO 8 2HB PRO 8 -7.075 -17.152 -6.525
57 HB3 PRO 8 3HB PRO 8 -6.042 -15.768 -6.902
58 HG2 PRO 8 2HG PRO 8 -5.954 -17.611 -4.545
59 HG3 PRO 8 3HG PRO 8 -4.615 -16.974 -5.517
60 HD2 PRO 8 2HD PRO 8 -5.287 -15.937 -3.107
61 HD3 PRO 8 3HD PRO 8 -4.616 -14.947 -4.419
62 HA PRO 9 HA PRO 9 -11.444 -16.724 -4.788
63 HB2 PRO 9 2HB PRO 9 -12.246 -17.939 -7.079
64 HB3 PRO 9 3HB PRO 9 -12.356 -16.193 -6.828
65 HG2 PRO 9 2HG PRO 9 -10.285 -17.766 -8.311
66 HG3 PRO 9 3HG PRO 9 -11.072 -16.244 -8.766
67 HD2 PRO 9 2HD PRO 9 -8.585 -16.336 -7.699
68 HD3 PRO 9 3HD PRO 9 -9.698 -14.982 -7.413
69 H GLN 10 H GLN 10 -12.486 -18.850 -4.576
70 HA GLN 10 HA GLN 10 -12.462 -21.044 -3.980
71 HB2 GLN 10 2HB GLN 10 -11.308 -20.918 -6.518
72 HB3 GLN 10 3HB GLN 10 -10.218 -21.936 -5.586
73 HG2 GLN 10 2HG GLN 10 -11.952 -23.473 -5.078
74 HG3 GLN 10 3HG GLN 10 -13.186 -22.386 -5.714
75 HE21 GLN 10 1HE2 GLN 10 -13.841 -24.195 -7.015
76 HE22 GLN 10 2HE2 GLN 10 -13.004 -24.545 -8.485
77 H GLN 11 H GLN 11 -11.775 -20.970 -1.891
78 HA GLN 11 HA GLN 11 -9.262 -20.353 -0.932
79 HB2 GLN 11 2HB GLN 11 -9.914 -21.851 1.036
80 HB3 GLN 11 3HB GLN 11 -10.987 -20.511 0.656
81 HG2 GLN 11 2HG GLN 11 -12.628 -21.898 -0.207
82 HG3 GLN 11 3HG GLN 11 -11.503 -23.229 -0.471
83 HE21 GLN 11 1HE2 GLN 11 -13.410 -24.290 0.634
84 HE22 GLN 11 2HE2 GLN 11 -13.333 -24.411 2.355
85 HA PRO 12 HA PRO 12 -6.569 -23.678 -1.902
86 HB2 PRO 12 2HB PRO 12 -5.009 -23.780 0.318
87 HB3 PRO 12 3HB PRO 12 -4.901 -22.479 -0.873
88 HG2 PRO 12 2HG PRO 12 -6.317 -22.520 1.764
89 HG3 PRO 12 3HG PRO 12 -5.325 -21.237 1.047
90 HD2 PRO 12 2HD PRO 12 -8.032 -21.183 1.002
91 HD3 PRO 12 3HD PRO 12 -7.041 -20.488 -0.297
92 H TYR 13 H TYR 13 -8.316 -25.277 -1.833
93 HA TYR 13 HA TYR 13 -9.353 -27.170 -1.087
94 HB2 TYR 13 2HB TYR 13 -7.473 -28.426 -1.414
95 HB3 TYR 13 3HB TYR 13 -6.485 -27.418 -0.361
96 HD1 TYR 13 HD1 TYR 13 -6.218 -27.940 1.955
97 HD2 TYR 13 HD2 TYR 13 -8.931 -30.177 -0.441
98 HE1 TYR 13 HE1 TYR 13 -6.407 -29.616 3.745
99 HE2 TYR 13 HE2 TYR 13 -9.129 -31.859 1.343
100 HH TYR 13 HH TYR 13 -7.559 -31.410 4.474
Start of MODEL 38
1 H1 LEU 1 H LEU 1 -2.867 5.313 -5.024
2 HA LEU 1 HA LEU 1 -1.799 3.451 -5.914
3 HB2 LEU 1 2HB LEU 1 0.287 4.535 -4.192
4 HB3 LEU 1 3HB LEU 1 0.280 2.773 -4.240
5 HG LEU 1 HG LEU 1 1.836 3.650 -5.870
6 HD11 LEU 1 1HD1 LEU 1 0.111 2.854 -7.930
7 HD12 LEU 1 2HD1 LEU 1 -0.399 1.967 -6.494
8 HD13 LEU 1 3HD1 LEU 1 1.271 1.861 -7.049
9 HD21 LEU 1 1HD2 LEU 1 0.896 5.835 -6.250
10 HD22 LEU 1 2HD2 LEU 1 -0.550 5.129 -6.974
11 HD23 LEU 1 3HD2 LEU 1 1.008 4.979 -7.788
12 H GLY 2 H GLY 2 -1.984 1.240 -5.417
13 HA2 GLY 2 2HA GLY 2 -2.349 0.313 -2.736
14 HA3 GLY 2 3HA GLY 2 -3.883 0.498 -3.573
15 H GLN 3 H GLN 3 -0.678 -0.996 -3.944
16 HA GLN 3 HA GLN 3 -1.044 -2.675 -6.030
17 HB2 GLN 3 2HB GLN 3 0.218 -3.503 -3.411
18 HB3 GLN 3 3HB GLN 3 0.521 -4.222 -4.987
19 HG2 GLN 3 2HG GLN 3 1.493 -2.130 -5.767
20 HG3 GLN 3 3HG GLN 3 1.171 -1.391 -4.199
21 HE21 GLN 3 1HE2 GLN 3 2.765 -4.241 -5.585
22 HE22 GLN 3 2HE2 GLN 3 4.127 -4.208 -4.523
23 H GLN 4 H GLN 4 -2.604 -4.035 -6.571
24 HA GLN 4 HA GLN 4 -4.703 -4.850 -4.978
25 HB2 GLN 4 2HB GLN 4 -4.952 -6.734 -6.693
26 HB3 GLN 4 3HB GLN 4 -4.993 -5.083 -7.297
27 HG2 GLN 4 2HG GLN 4 -2.985 -5.270 -8.361
28 HG3 GLN 4 3HG GLN 4 -2.383 -6.496 -7.246
29 HE21 GLN 4 1HE2 GLN 4 -2.755 -8.627 -7.659
30 HE22 GLN 4 2HE2 GLN 4 -3.474 -9.205 -9.120
31 H GLN 5 H GLN 5 -5.134 -6.557 -3.660
32 HA GLN 5 HA GLN 5 -2.832 -8.074 -2.723
33 HB2 GLN 5 2HB GLN 5 -4.193 -7.037 -1.021
34 HB3 GLN 5 3HB GLN 5 -5.645 -7.798 -1.657
35 HG2 GLN 5 2HG GLN 5 -4.608 -10.013 -1.106
36 HG3 GLN 5 3HG GLN 5 -3.335 -9.127 -0.269
37 HE21 GLN 5 1HE2 GLN 5 -4.386 -10.679 1.389
38 HE22 GLN 5 2HE2 GLN 5 -5.607 -9.969 2.384
39 HA PRO 6 HA PRO 6 -3.914 -11.705 -4.982
40 HB2 PRO 6 2HB PRO 6 -2.462 -13.494 -3.546
41 HB3 PRO 6 3HB PRO 6 -1.730 -12.351 -4.677
42 HG2 PRO 6 2HG PRO 6 -1.958 -12.183 -1.697
43 HG3 PRO 6 3HG PRO 6 -0.575 -11.797 -2.736
44 HD2 PRO 6 2HD PRO 6 -2.212 -9.893 -1.723
45 HD3 PRO 6 3HD PRO 6 -1.417 -9.727 -3.301
46 H PHE 7 H PHE 7 -5.931 -12.468 -4.781
47 HA PHE 7 HA PHE 7 -6.567 -14.312 -2.686
48 HB2 PHE 7 2HB PHE 7 -7.060 -12.267 -1.473
49 HB3 PHE 7 3HB PHE 7 -8.049 -11.678 -2.805
50 HD1 PHE 7 HD1 PHE 7 -10.309 -11.796 -2.487
51 HD2 PHE 7 HD2 PHE 7 -7.825 -14.747 -0.687
52 HE1 PHE 7 HE1 PHE 7 -12.292 -12.844 -1.477
53 HE2 PHE 7 HE2 PHE 7 -9.805 -15.800 0.325
54 HZ PHE 7 HZ PHE 7 -12.042 -14.850 -0.070
55 HA PRO 8 HA PRO 8 -8.618 -14.993 -6.788
56 HB2 PRO 8 2HB PRO 8 -7.902 -17.605 -6.969
57 HB3 PRO 8 3HB PRO 8 -6.865 -16.284 -7.519
58 HG2 PRO 8 2HG PRO 8 -6.764 -17.830 -4.958
59 HG3 PRO 8 3HG PRO 8 -5.431 -17.325 -6.013
60 HD2 PRO 8 2HD PRO 8 -6.072 -16.001 -3.739
61 HD3 PRO 8 3HD PRO 8 -5.408 -15.181 -5.167
62 HA PRO 9 HA PRO 9 -12.250 -16.939 -5.253
63 HB2 PRO 9 2HB PRO 9 -13.084 -18.415 -7.374
64 HB3 PRO 9 3HB PRO 9 -13.181 -16.650 -7.334
65 HG2 PRO 9 2HG PRO 9 -11.135 -18.406 -8.636
66 HG3 PRO 9 3HG PRO 9 -11.917 -16.943 -9.264
67 HD2 PRO 9 2HD PRO 9 -9.420 -16.925 -8.218
68 HD3 PRO 9 3HD PRO 9 -10.521 -15.538 -8.085
69 H GLN 10 H GLN 10 -12.947 -18.758 -4.206
70 HA GLN 10 HA GLN 10 -12.868 -20.819 -3.248
71 HB2 GLN 10 2HB GLN 10 -12.785 -21.264 -5.953
72 HB3 GLN 10 3HB GLN 10 -11.361 -22.133 -5.397
73 HG2 GLN 10 2HG GLN 10 -13.993 -22.525 -4.040
74 HG3 GLN 10 3HG GLN 10 -13.626 -23.362 -5.548
75 HE21 GLN 10 1HE2 GLN 10 -13.917 -24.110 -2.582
76 HE22 GLN 10 2HE2 GLN 10 -12.554 -25.132 -2.297
77 H GLN 11 H GLN 11 -11.508 -20.554 -1.550
78 HA GLN 11 HA GLN 11 -8.788 -20.088 -1.587
79 HB2 GLN 11 2HB GLN 11 -8.813 -21.210 0.711
80 HB3 GLN 11 3HB GLN 11 -9.875 -19.828 0.480
81 HG2 GLN 11 2HG GLN 11 -11.767 -21.075 0.617
82 HG3 GLN 11 3HG GLN 11 -10.998 -22.516 -0.045
83 HE21 GLN 11 1HE2 GLN 11 -9.132 -23.300 1.463
84 HE22 GLN 11 2HE2 GLN 11 -9.572 -23.457 3.126
85 HA PRO 12 HA PRO 12 -6.781 -23.795 -2.804
86 HB2 PRO 12 2HB PRO 12 -4.565 -23.754 -1.235
87 HB3 PRO 12 3HB PRO 12 -4.797 -22.655 -2.599
88 HG2 PRO 12 2HG PRO 12 -5.228 -22.165 0.322
89 HG3 PRO 12 3HG PRO 12 -4.469 -21.114 -0.888
90 HD2 PRO 12 2HD PRO 12 -7.021 -20.767 -0.052
91 HD3 PRO 12 3HD PRO 12 -6.496 -20.378 -1.703
92 H TYR 13 H TYR 13 -8.311 -25.326 -2.035
93 HA TYR 13 HA TYR 13 -9.129 -27.007 -0.723
94 HB2 TYR 13 2HB TYR 13 -7.359 -28.363 -1.217
95 HB3 TYR 13 3HB TYR 13 -6.169 -27.207 -0.630
96 HD1 TYR 13 HD1 TYR 13 -5.482 -27.199 1.690
97 HD2 TYR 13 HD2 TYR 13 -8.431 -29.937 0.310
98 HE1 TYR 13 HE1 TYR 13 -5.240 -28.496 3.766
99 HE2 TYR 13 HE2 TYR 13 -8.198 -31.242 2.382
100 HH TYR 13 HH TYR 13 -6.828 -30.134 5.109
Start of MODEL 39
1 H1 LEU 1 H LEU 1 -5.467 -0.285 -6.636
2 HA LEU 1 HA LEU 1 -4.786 -1.690 -8.367
3 HB2 LEU 1 2HB LEU 1 -5.807 -0.029 -9.965
4 HB3 LEU 1 3HB LEU 1 -4.242 0.782 -9.996
5 HG LEU 1 HG LEU 1 -3.217 -1.213 -10.958
6 HD11 LEU 1 1HD1 LEU 1 -4.215 -3.151 -10.456
7 HD12 LEU 1 2HD1 LEU 1 -5.243 -2.809 -11.847
8 HD13 LEU 1 3HD1 LEU 1 -5.790 -2.392 -10.223
9 HD21 LEU 1 1HD2 LEU 1 -4.880 0.572 -12.225
10 HD22 LEU 1 2HD2 LEU 1 -5.469 -0.991 -12.793
11 HD23 LEU 1 3HD2 LEU 1 -3.775 -0.552 -13.016
12 H GLY 2 H GLY 2 -3.145 -1.948 -6.700
13 HA2 GLY 2 2HA GLY 2 -0.530 -1.668 -7.727
14 HA3 GLY 2 3HA GLY 2 -0.808 -0.427 -6.514
15 H GLN 3 H GLN 3 -1.083 -1.019 -4.347
16 HA GLN 3 HA GLN 3 0.502 -2.934 -3.288
17 HB2 GLN 3 2HB GLN 3 -2.170 -2.134 -2.123
18 HB3 GLN 3 3HB GLN 3 -0.807 -2.805 -1.238
19 HG2 GLN 3 2HG GLN 3 0.515 -0.826 -1.753
20 HG3 GLN 3 3HG GLN 3 -0.837 -0.155 -2.664
21 HE21 GLN 3 1HE2 GLN 3 -0.197 -1.549 0.539
22 HE22 GLN 3 2HE2 GLN 3 -1.113 -0.379 1.419
23 H GLN 4 H GLN 4 0.612 -5.050 -3.588
24 HA GLN 4 HA GLN 4 -1.270 -6.651 -4.815
25 HB2 GLN 4 2HB GLN 4 -0.046 -8.568 -3.639
26 HB3 GLN 4 3HB GLN 4 0.910 -7.513 -4.672
27 HG2 GLN 4 2HG GLN 4 0.824 -6.589 -1.923
28 HG3 GLN 4 3HG GLN 4 1.480 -8.219 -2.073
29 HE21 GLN 4 1HE2 GLN 4 2.381 -5.154 -1.845
30 HE22 GLN 4 2HE2 GLN 4 3.834 -5.167 -2.780
31 H GLN 5 H GLN 5 -3.186 -7.411 -4.229
32 HA GLN 5 HA GLN 5 -3.947 -7.284 -1.403
33 HB2 GLN 5 2HB GLN 5 -5.440 -6.113 -2.893
34 HB3 GLN 5 3HB GLN 5 -5.601 -7.533 -3.918
35 HG2 GLN 5 2HG GLN 5 -6.628 -8.711 -1.959
36 HG3 GLN 5 3HG GLN 5 -6.648 -7.157 -1.127
37 HE21 GLN 5 1HE2 GLN 5 -8.623 -6.376 -1.122
38 HE22 GLN 5 2HE2 GLN 5 -9.728 -6.383 -2.450
39 HA PRO 6 HA PRO 6 -3.679 -11.669 -1.001
40 HB2 PRO 6 2HB PRO 6 -5.196 -11.941 1.234
41 HB3 PRO 6 3HB PRO 6 -3.551 -11.293 1.262
42 HG2 PRO 6 2HG PRO 6 -6.164 -9.832 1.299
43 HG3 PRO 6 3HG PRO 6 -4.700 -9.529 2.251
44 HD2 PRO 6 2HD PRO 6 -5.339 -8.074 0.059
45 HD3 PRO 6 3HD PRO 6 -3.659 -8.408 0.527
46 H PHE 7 H PHE 7 -4.853 -12.280 -2.870
47 HA PHE 7 HA PHE 7 -7.360 -13.542 -2.305
48 HB2 PHE 7 2HB PHE 7 -8.214 -11.309 -2.729
49 HB3 PHE 7 3HB PHE 7 -7.306 -11.213 -4.234
50 HD1 PHE 7 HD1 PHE 7 -9.671 -13.642 -2.664
51 HD2 PHE 7 HD2 PHE 7 -8.597 -11.388 -6.111
52 HE1 PHE 7 HE1 PHE 7 -11.593 -14.586 -3.877
53 HE2 PHE 7 HE2 PHE 7 -10.517 -12.327 -7.329
54 HZ PHE 7 HZ PHE 7 -12.019 -13.928 -6.212
55 HA PRO 8 HA PRO 8 -4.680 -15.528 -5.525
56 HB2 PRO 8 2HB PRO 8 -4.775 -17.999 -4.405
57 HB3 PRO 8 3HB PRO 8 -3.589 -16.776 -3.934
58 HG2 PRO 8 2HG PRO 8 -6.151 -17.546 -2.592
59 HG3 PRO 8 3HG PRO 8 -4.568 -17.208 -1.869
60 HD2 PRO 8 2HD PRO 8 -6.575 -15.391 -1.893
61 HD3 PRO 8 3HD PRO 8 -4.864 -14.925 -1.979
62 HA PRO 9 HA PRO 9 -7.922 -17.358 -7.865
63 HB2 PRO 9 2HB PRO 9 -6.679 -19.436 -9.093
64 HB3 PRO 9 3HB PRO 9 -6.385 -17.748 -9.528
65 HG2 PRO 9 2HG PRO 9 -4.765 -19.563 -7.786
66 HG3 PRO 9 3HG PRO 9 -4.217 -18.419 -9.025
67 HD2 PRO 9 2HD PRO 9 -4.135 -17.851 -6.378
68 HD3 PRO 9 3HD PRO 9 -4.409 -16.606 -7.614
69 H GLN 10 H GLN 10 -9.225 -18.079 -6.095
70 HA GLN 10 HA GLN 10 -10.430 -19.623 -4.939
71 HB2 GLN 10 2HB GLN 10 -9.661 -20.896 -7.382
72 HB3 GLN 10 3HB GLN 10 -9.611 -22.086 -6.088
73 HG2 GLN 10 2HG GLN 10 -11.987 -20.645 -5.725
74 HG3 GLN 10 3HG GLN 10 -11.869 -20.975 -7.452
75 HE21 GLN 10 1HE2 GLN 10 -11.279 -22.654 -4.378
76 HE22 GLN 10 2HE2 GLN 10 -12.032 -24.136 -4.848
77 H GLN 11 H GLN 11 -9.519 -19.538 -2.940
78 HA GLN 11 HA GLN 11 -7.024 -20.411 -2.150
79 HB2 GLN 11 2HB GLN 11 -7.801 -20.306 0.083
80 HB3 GLN 11 3HB GLN 11 -8.715 -19.090 -0.799
81 HG2 GLN 11 2HG GLN 11 -10.432 -21.075 -1.057
82 HG3 GLN 11 3HG GLN 11 -9.617 -21.652 0.395
83 HE21 GLN 11 1HE2 GLN 11 -10.092 -20.750 2.307
84 HE22 GLN 11 2HE2 GLN 11 -11.173 -19.421 2.527
85 HA PRO 12 HA PRO 12 -7.051 -24.799 -2.220
86 HB2 PRO 12 2HB PRO 12 -5.433 -25.360 -0.114
87 HB3 PRO 12 3HB PRO 12 -4.830 -24.699 -1.638
88 HG2 PRO 12 2HG PRO 12 -5.433 -23.288 0.932
89 HG3 PRO 12 3HG PRO 12 -4.050 -23.084 -0.159
90 HD2 PRO 12 2HD PRO 12 -6.156 -21.382 -0.142
91 HD3 PRO 12 3HD PRO 12 -5.236 -21.748 -1.616
92 H TYR 13 H TYR 13 -8.968 -25.718 -1.723
93 HA TYR 13 HA TYR 13 -10.734 -26.517 -0.517
94 HB2 TYR 13 2HB TYR 13 -9.518 -28.298 0.237
95 HB3 TYR 13 3HB TYR 13 -8.273 -27.282 0.956
96 HD1 TYR 13 HD1 TYR 13 -11.699 -28.600 1.455
97 HD2 TYR 13 HD2 TYR 13 -8.320 -26.749 3.258
98 HE1 TYR 13 HE1 TYR 13 -12.684 -28.981 3.676
99 HE2 TYR 13 HE2 TYR 13 -9.294 -27.126 5.485
100 HH TYR 13 HH TYR 13 -12.552 -28.341 5.883
Start of MODEL 40
1 H1 LEU 1 H LEU 1 0.216 1.808 -2.068
2 HA LEU 1 HA LEU 1 1.894 1.714 -3.631
3 HB2 LEU 1 2HB LEU 1 3.409 0.139 -1.554
4 HB3 LEU 1 3HB LEU 1 4.066 0.733 -3.078
5 HG LEU 1 HG LEU 1 3.100 3.016 -1.851
6 HD11 LEU 1 1HD1 LEU 1 4.743 1.764 0.268
7 HD12 LEU 1 2HD1 LEU 1 3.044 1.301 0.185
8 HD13 LEU 1 3HD1 LEU 1 3.487 2.996 0.382
9 HD21 LEU 1 1HD2 LEU 1 5.228 2.593 -3.135
10 HD22 LEU 1 2HD2 LEU 1 5.918 1.982 -1.631
11 HD23 LEU 1 3HD2 LEU 1 5.377 3.658 -1.737
12 H GLY 2 H GLY 2 0.548 0.483 -4.950
13 HA2 GLY 2 2HA GLY 2 0.527 -1.370 -6.416
14 HA3 GLY 2 3HA GLY 2 1.373 -2.314 -5.198
15 H GLN 3 H GLN 3 -1.736 -1.073 -6.227
16 HA GLN 3 HA GLN 3 -3.456 -1.785 -4.268
17 HB2 GLN 3 2HB GLN 3 -3.880 -2.433 -7.189
18 HB3 GLN 3 3HB GLN 3 -5.136 -2.220 -5.977
19 HG2 GLN 3 2HG GLN 3 -4.501 0.116 -5.715
20 HG3 GLN 3 3HG GLN 3 -3.223 -0.092 -6.911
21 HE21 GLN 3 1HE2 GLN 3 -4.589 1.801 -7.724
22 HE22 GLN 3 2HE2 GLN 3 -5.832 1.400 -8.855
23 H GLN 4 H GLN 4 -3.440 -3.533 -3.018
24 HA GLN 4 HA GLN 4 -2.293 -5.983 -3.554
25 HB2 GLN 4 2HB GLN 4 -3.907 -6.854 -1.769
26 HB3 GLN 4 3HB GLN 4 -2.829 -5.542 -1.310
27 HG2 GLN 4 2HG GLN 4 -5.330 -4.548 -2.364
28 HG3 GLN 4 3HG GLN 4 -5.577 -5.629 -0.993
29 HE21 GLN 4 1HE2 GLN 4 -4.090 -5.183 0.894
30 HE22 GLN 4 2HE2 GLN 4 -3.851 -3.524 1.312
31 H GLN 5 H GLN 5 -2.843 -7.749 -4.676
32 HA GLN 5 HA GLN 5 -5.299 -7.674 -6.228
33 HB2 GLN 5 2HB GLN 5 -3.279 -8.227 -7.425
34 HB3 GLN 5 3HB GLN 5 -2.914 -9.526 -6.297
35 HG2 GLN 5 2HG GLN 5 -5.032 -10.639 -7.045
36 HG3 GLN 5 3HG GLN 5 -5.143 -9.415 -8.309
37 HE21 GLN 5 1HE2 GLN 5 -4.779 -10.573 -10.097
38 HE22 GLN 5 2HE2 GLN 5 -3.357 -11.505 -10.400
39 HA PRO 6 HA PRO 6 -7.494 -10.405 -3.547
40 HB2 PRO 6 2HB PRO 6 -9.425 -11.181 -5.290
41 HB3 PRO 6 3HB PRO 6 -9.400 -9.584 -4.534
42 HG2 PRO 6 2HG PRO 6 -8.492 -10.400 -7.268
43 HG3 PRO 6 3HG PRO 6 -9.420 -8.971 -6.777
44 HD2 PRO 6 2HD PRO 6 -6.760 -8.881 -7.280
45 HD3 PRO 6 3HD PRO 6 -7.540 -7.838 -6.073
46 H PHE 7 H PHE 7 -7.148 -12.459 -2.982
47 HA PHE 7 HA PHE 7 -5.540 -14.229 -4.323
48 HB2 PHE 7 2HB PHE 7 -6.739 -16.017 -2.913
49 HB3 PHE 7 3HB PHE 7 -5.942 -14.701 -2.057
50 HD1 PHE 7 HD1 PHE 7 -7.101 -13.574 -0.421
51 HD2 PHE 7 HD2 PHE 7 -9.270 -15.630 -3.451
52 HE1 PHE 7 HE1 PHE 7 -9.208 -13.051 0.737
53 HE2 PHE 7 HE2 PHE 7 -11.380 -15.110 -2.299
54 HZ PHE 7 HZ PHE 7 -11.352 -13.818 -0.203
55 HA PRO 8 HA PRO 8 -7.819 -16.074 -7.586
56 HB2 PRO 8 2HB PRO 8 -6.916 -18.634 -7.515
57 HB3 PRO 8 3HB PRO 8 -5.927 -17.281 -8.079
58 HG2 PRO 8 2HG PRO 8 -5.938 -18.637 -5.410
59 HG3 PRO 8 3HG PRO 8 -4.558 -18.109 -6.391
60 HD2 PRO 8 2HD PRO 8 -5.475 -16.683 -4.280
61 HD3 PRO 8 3HD PRO 8 -4.750 -15.916 -5.708
62 HA PRO 9 HA PRO 9 -11.427 -18.170 -6.202
63 HB2 PRO 9 2HB PRO 9 -11.979 -19.845 -8.266
64 HB3 PRO 9 3HB PRO 9 -12.198 -18.094 -8.365
65 HG2 PRO 9 2HG PRO 9 -9.937 -19.780 -9.369
66 HG3 PRO 9 3HG PRO 9 -10.760 -18.425 -10.163
67 HD2 PRO 9 2HD PRO 9 -8.366 -18.153 -8.927
68 HD3 PRO 9 3HD PRO 9 -9.565 -16.845 -8.985
69 H GLN 10 H GLN 10 -12.102 -19.973 -5.102
70 HA GLN 10 HA GLN 10 -11.973 -21.958 -4.001
71 HB2 GLN 10 2HB GLN 10 -11.866 -22.692 -6.503
72 HB3 GLN 10 3HB GLN 10 -10.180 -23.043 -6.145
73 HG2 GLN 10 2HG GLN 10 -10.749 -24.679 -4.554
74 HG3 GLN 10 3HG GLN 10 -12.432 -24.155 -4.506
75 HE21 GLN 10 1HE2 GLN 10 -10.024 -25.341 -6.826
76 HE22 GLN 10 2HE2 GLN 10 -11.110 -26.371 -7.688
77 H GLN 11 H GLN 11 -10.822 -21.469 -2.200
78 HA GLN 11 HA GLN 11 -7.935 -21.249 -2.302
79 HB2 GLN 11 2HB GLN 11 -10.033 -20.438 -0.496
80 HB3 GLN 11 3HB GLN 11 -8.775 -21.300 0.380
81 HG2 GLN 11 2HG GLN 11 -7.440 -19.541 0.309
82 HG3 GLN 11 3HG GLN 11 -7.590 -19.437 -1.444
83 HE21 GLN 11 1HE2 GLN 11 -10.103 -18.750 -1.901
84 HE22 GLN 11 2HE2 GLN 11 -10.498 -17.242 -1.156
85 HA PRO 12 HA PRO 12 -6.925 -25.367 -1.176
86 HB2 PRO 12 2HB PRO 12 -4.743 -24.976 0.391
87 HB3 PRO 12 3HB PRO 12 -4.719 -24.754 -1.363
88 HG2 PRO 12 2HG PRO 12 -4.970 -22.702 0.802
89 HG3 PRO 12 3HG PRO 12 -3.996 -22.653 -0.679
90 HD2 PRO 12 2HD PRO 12 -6.371 -21.371 -0.453
91 HD3 PRO 12 3HD PRO 12 -5.792 -22.047 -1.990
92 H TYR 13 H TYR 13 -7.181 -26.889 0.440
93 HA TYR 13 HA TYR 13 -8.178 -27.751 2.305
94 HB2 TYR 13 2HB TYR 13 -6.258 -27.546 3.525
95 HB3 TYR 13 3HB TYR 13 -6.134 -25.813 3.242
96 HD1 TYR 13 HD1 TYR 13 -7.223 -24.230 4.717
97 HD2 TYR 13 HD2 TYR 13 -7.593 -28.418 5.369
98 HE1 TYR 13 HE1 TYR 13 -8.098 -23.795 6.974
99 HE2 TYR 13 HE2 TYR 13 -8.470 -27.994 7.628
100 HH TYR 13 HH TYR 13 -8.526 -24.768 9.002