Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
647532 | 6u7w RC | 30670 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -7.513 -1.055 0.953
2 HA2 GLY 1 2HA GLY 1 -6.934 -2.926 2.339
3 HA3 GLY 1 1HA GLY 1 -7.875 -3.953 1.269
4 H LYS 2 H LYS 2 -6.035 -1.738 -0.421
5 HA LYS 2 HA LYS 2 -4.221 -3.855 -1.223
6 HB2 LYS 2 2HB LYS 2 -5.396 -2.602 -2.967
7 HB3 LYS 2 1HB LYS 2 -4.735 -1.101 -2.357
8 HG2 LYS 2 2HG LYS 2 -3.577 -1.756 -4.352
9 HG3 LYS 2 1HG LYS 2 -2.479 -1.867 -2.977
10 HD2 LYS 2 2HD LYS 2 -2.789 -4.275 -2.904
11 HD3 LYS 2 1HD LYS 2 -3.968 -4.175 -4.215
12 HE2 LYS 2 2HE LYS 2 -2.253 -3.276 -5.692
13 HE3 LYS 2 1HE LYS 2 -1.073 -3.381 -4.390
14 HZ1 LYS 2 1HZ LYS 2 -2.515 -5.707 -5.544
15 HZ2 LYS 2 2HZ LYS 2 -1.277 -5.768 -4.404
16 HZ3 LYS 2 3HZ LYS 2 -0.959 -5.246 -5.972
17 H ALA 3 H AZH 3 -2.480 -4.013 0.010
18 HA ALA 3 HA AZH 3 -1.105 -1.544 0.759
19 HB1 ALA 3 1HB AZH 3 -0.066 -3.265 2.540
20 HB2 ALA 3 2HB AZH 3 -1.663 -3.975 2.336
21 H LEU 4 H LEU 4 0.860 -1.216 0.204
22 HA LEU 4 HA LEU 4 2.266 -3.401 -1.124
23 HB2 LEU 4 2HB LEU 4 2.445 -0.423 -1.567
24 HB3 LEU 4 1HB LEU 4 3.479 -1.608 -2.337
25 HG LEU 4 HG LEU 4 0.505 -1.447 -2.666
26 HD11 LEU 4 1HD1 LEU 4 1.600 0.481 -3.664
27 HD12 LEU 4 2HD1 LEU 4 0.984 -0.602 -4.912
28 HD13 LEU 4 3HD1 LEU 4 2.704 -0.587 -4.530
29 HD21 LEU 4 1HD2 LEU 4 0.919 -2.989 -4.578
30 HD22 LEU 4 2HD2 LEU 4 1.267 -3.696 -3.005
31 HD23 LEU 4 3HD2 LEU 4 2.589 -3.140 -4.033
32 H PHE 5 H PHE 5 3.717 -4.156 0.158
33 HA PHE 5 HA PHE 5 4.928 -2.432 2.119
34 HB2 PHE 5 2HB PHE 5 5.171 -5.422 1.701
35 HB3 PHE 5 1HB PHE 5 5.958 -4.526 2.998
36 HD1 PHE 5 1HD PHE 5 2.756 -5.774 1.723
37 HD2 PHE 5 2HD PHE 5 4.691 -3.659 4.863
38 HE1 PHE 5 1HE PHE 5 0.734 -5.985 3.103
39 HE2 PHE 5 2HE PHE 5 2.681 -3.865 6.250
40 HZ PHE 5 HZ PHE 5 0.691 -5.031 5.376
41 H SER 6 H SER 6 5.962 -1.170 0.812
42 HA SER 6 HA SER 6 8.388 -2.158 -0.416
43 HB2 SER 6 2HB SER 6 6.560 -1.874 -2.157
44 HB3 SER 6 1HB SER 6 6.392 -0.209 -1.665
45 HG SER 6 HG SER 6 8.455 -1.464 -3.072
46 H ASN 7 H ASN 7 9.241 0.412 -1.164
47 HA ASN 7 HA ASN 7 8.883 1.923 1.308
48 HB2 ASN 7 2HB ASN 7 11.177 0.921 1.182
49 HB3 ASN 7 1HB ASN 7 11.450 1.823 -0.307
50 HD21 ASN 7 1HD2 ASN 7 11.841 4.044 -0.185
51 HD22 ASN 7 2HD2 ASN 7 12.118 4.857 1.300
52 HA PRO 8 HA PRO 8 8.168 3.577 2.023
53 HB2 PRO 8 2HB PRO 8 5.858 5.247 1.378
54 HB3 PRO 8 1HB PRO 8 7.243 5.632 2.402
55 HG2 PRO 8 2HG PRO 8 6.830 6.843 0.027
56 HG3 PRO 8 1HG PRO 8 8.456 6.520 0.655
57 HD2 PRO 8 2HD PRO 8 6.871 4.956 -1.363
58 HD3 PRO 8 1HD PRO 8 8.572 5.464 -1.428
59 HA PRO 9 HA PRO 9 4.810 0.613 1.586
60 HB2 PRO 9 2HB PRO 9 4.020 1.008 4.365
61 HB3 PRO 9 1HB PRO 9 4.817 -0.391 3.642
62 HG2 PRO 9 2HG PRO 9 6.067 1.265 5.392
63 HG3 PRO 9 1HG PRO 9 6.922 0.404 4.103
64 HD2 PRO 9 2HD PRO 9 6.013 3.258 4.191
65 HD3 PRO 9 1HD PRO 9 7.545 2.572 3.602
66 H ILE 10 H ILE 10 3.222 1.479 0.401
67 HA ILE 10 HA ILE 10 1.542 3.489 1.657
68 HB ILE 10 HB ILE 10 2.515 4.239 -0.450
69 HG12 ILE 10 2HG1 ILE 10 -0.443 3.677 -0.810
70 HG13 ILE 10 1HG1 ILE 10 0.228 5.002 0.131
71 HG21 ILE 10 1HG2 ILE 10 2.915 2.130 -1.545
72 HG22 ILE 10 2HG2 ILE 10 1.966 3.179 -2.600
73 HG23 ILE 10 3HG2 ILE 10 1.180 1.863 -1.729
74 HD11 ILE 10 1HD1 ILE 10 -0.542 5.755 -2.042
75 HD12 ILE 10 2HD1 ILE 10 0.538 4.608 -2.836
76 HD13 ILE 10 3HD1 ILE 10 1.206 5.943 -1.897
77 H ALA 11 H PRG 11 -0.562 3.133 2.031
78 HA ALA 11 HA PRG 11 -1.624 0.582 1.117
79 HB1 ALA 11 1HB PRG 11 -2.816 0.292 3.208
80 HB2 ALA 11 2HB PRG 11 -2.135 1.724 3.904
81 H PHE 12 H PHE 12 -3.690 0.513 0.604
82 HA PHE 12 HA PHE 12 -4.963 3.123 0.213
83 HB2 PHE 12 2HB PHE 12 -5.226 0.608 -1.446
84 HB3 PHE 12 1HB PHE 12 -6.030 2.134 -1.767
85 HD1 PHE 12 1HD PHE 12 -2.826 0.352 -1.858
86 HD2 PHE 12 2HD PHE 12 -4.844 3.984 -2.750
87 HE1 PHE 12 1HE PHE 12 -0.925 1.056 -3.249
88 HE2 PHE 12 2HE PHE 12 -2.953 4.696 -4.132
89 HZ PHE 12 HZ PHE 12 -0.987 3.233 -4.390
90 HA PRO 13 HA PRO 13 -8.244 1.898 2.944
91 HB2 PRO 13 2HB PRO 13 -10.019 3.104 0.874
92 HB3 PRO 13 1HB PRO 13 -9.964 3.396 2.617
93 HG2 PRO 13 2HG PRO 13 -8.914 5.163 0.965
94 HG3 PRO 13 1HG PRO 13 -8.067 4.735 2.463
95 HD2 PRO 13 2HD PRO 13 -7.488 3.895 -0.347
96 HD3 PRO 13 1HD PRO 13 -6.374 4.307 0.974
97 H ASN 14 H ASN 14 -8.389 0.914 -0.429
98 HA ASN 14 HA ASN 14 -10.657 -0.809 0.000
99 HB2 ASN 14 2HB ASN 14 -10.407 -1.600 -2.260
100 HB3 ASN 14 1HB ASN 14 -10.183 0.137 -2.270
101 HD21 ASN 14 1HD2 ASN 14 -9.330 -1.999 -4.100
102 HD22 ASN 14 2HD2 ASN 14 -7.637 -1.814 -4.304
103 H1 WMH 101 1HG AZH 3 -2.303 -2.361 3.966
104 H2 WMH 101 2HG AZH 3 -2.289 -1.429 2.531
105 H5 WMH 101 HD PRG 11 0.594 1.664 4.416
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -7.785 -0.953 1.283
2 HA2 GLY 1 2HA GLY 1 -7.257 -2.794 2.641
3 HA3 GLY 1 1HA GLY 1 -8.475 -3.734 1.798
4 H LYS 2 H LYS 2 -5.608 -1.952 0.682
5 HA LYS 2 HA LYS 2 -4.281 -4.428 -0.022
6 HB2 LYS 2 2HB LYS 2 -5.012 -2.303 -2.055
7 HB3 LYS 2 1HB LYS 2 -3.714 -3.461 -2.340
8 HG2 LYS 2 2HG LYS 2 -6.618 -4.142 -1.871
9 HG3 LYS 2 1HG LYS 2 -5.824 -4.064 -3.447
10 HD2 LYS 2 2HD LYS 2 -4.368 -5.895 -2.866
11 HD3 LYS 2 1HD LYS 2 -4.950 -5.895 -1.206
12 HE2 LYS 2 2HE LYS 2 -6.644 -6.506 -3.624
13 HE3 LYS 2 1HE LYS 2 -5.911 -7.713 -2.575
14 HZ1 LYS 2 1HZ LYS 2 -8.176 -7.379 -1.935
15 HZ2 LYS 2 2HZ LYS 2 -7.997 -5.725 -1.800
16 HZ3 LYS 2 3HZ LYS 2 -7.207 -6.742 -0.717
17 H ALA 3 H AZH 3 -1.989 -4.148 -0.190
18 HA ALA 3 HA AZH 3 -1.027 -1.524 0.575
19 HB1 ALA 3 1HB AZH 3 0.392 -2.916 2.356
20 HB2 ALA 3 2HB AZH 3 -1.066 -3.899 2.345
21 H LEU 4 H LEU 4 0.934 -1.029 -0.034
22 HA LEU 4 HA LEU 4 2.339 -2.953 -1.680
23 HB2 LEU 4 2HB LEU 4 2.597 0.037 -1.399
24 HB3 LEU 4 1HB LEU 4 3.732 -0.934 -2.299
25 HG LEU 4 HG LEU 4 2.289 0.117 -3.849
26 HD11 LEU 4 1HD1 LEU 4 1.285 -1.739 -5.025
27 HD12 LEU 4 2HD1 LEU 4 1.433 -2.744 -3.589
28 HD13 LEU 4 3HD1 LEU 4 2.883 -2.147 -4.402
29 HD21 LEU 4 1HD2 LEU 4 -0.042 -1.023 -2.317
30 HD22 LEU 4 2HD2 LEU 4 -0.146 -0.139 -3.841
31 HD23 LEU 4 3HD2 LEU 4 0.429 0.674 -2.387
32 H PHE 5 H PHE 5 3.742 -4.066 -0.652
33 HA PHE 5 HA PHE 5 5.043 -3.078 1.717
34 HB2 PHE 5 2HB PHE 5 5.541 -5.692 0.265
35 HB3 PHE 5 1HB PHE 5 5.934 -5.312 1.940
36 HD1 PHE 5 1HD PHE 5 3.520 -6.708 -0.254
37 HD2 PHE 5 2HD PHE 5 3.954 -4.756 3.503
38 HE1 PHE 5 1HE PHE 5 1.309 -7.514 0.415
39 HE2 PHE 5 2HE PHE 5 1.744 -5.571 4.180
40 HZ PHE 5 HZ PHE 5 0.414 -6.951 2.626
41 H SER 6 H SER 6 6.108 -1.376 0.799
42 HA SER 6 HA SER 6 8.661 -1.983 -0.389
43 HB2 SER 6 2HB SER 6 6.684 -0.062 -1.665
44 HB3 SER 6 1HB SER 6 8.343 -0.322 -2.194
45 HG SER 6 HG SER 6 7.049 -2.657 -2.018
46 H ASN 7 H ASN 7 9.463 0.634 -0.796
47 HA ASN 7 HA ASN 7 8.830 1.966 1.729
48 HB2 ASN 7 2HB ASN 7 11.152 1.003 1.563
49 HB3 ASN 7 1HB ASN 7 11.446 2.080 0.206
50 HD21 ASN 7 1HD2 ASN 7 12.845 1.943 2.658
51 HD22 ASN 7 2HD2 ASN 7 12.715 3.487 3.423
52 HA PRO 8 HA PRO 8 7.995 3.576 2.444
53 HB2 PRO 8 2HB PRO 8 5.886 5.181 2.421
54 HB3 PRO 8 1HB PRO 8 7.520 5.854 2.333
55 HG2 PRO 8 2HG PRO 8 5.563 5.367 0.120
56 HG3 PRO 8 1HG PRO 8 6.542 6.810 0.442
57 HD2 PRO 8 2HD PRO 8 7.246 4.890 -1.366
58 HD3 PRO 8 1HD PRO 8 8.420 5.898 -0.496
59 HA PRO 9 HA PRO 9 4.684 0.633 1.918
60 HB2 PRO 9 2HB PRO 9 3.417 0.863 4.349
61 HB3 PRO 9 1HB PRO 9 4.901 -0.061 4.108
62 HG2 PRO 9 2HG PRO 9 4.535 2.672 5.243
63 HG3 PRO 9 1HG PRO 9 5.677 1.405 5.714
64 HD2 PRO 9 2HD PRO 9 6.363 3.568 4.203
65 HD3 PRO 9 1HD PRO 9 7.189 2.002 4.097
66 H ILE 10 H ILE 10 3.391 1.449 0.422
67 HA ILE 10 HA ILE 10 1.534 3.631 0.992
68 HB ILE 10 HB ILE 10 2.075 2.083 -1.563
69 HG12 ILE 10 2HG1 ILE 10 2.928 4.885 -0.780
70 HG13 ILE 10 1HG1 ILE 10 3.978 3.476 -0.814
71 HG21 ILE 10 1HG2 ILE 10 0.379 4.538 -1.120
72 HG22 ILE 10 2HG2 ILE 10 -0.189 2.930 -1.565
73 HG23 ILE 10 3HG2 ILE 10 0.802 3.860 -2.690
74 HD11 ILE 10 1HD1 ILE 10 3.636 3.292 -3.227
75 HD12 ILE 10 2HD1 ILE 10 4.301 4.861 -2.773
76 HD13 ILE 10 3HD1 ILE 10 2.592 4.713 -3.183
77 H ALA 11 H PRG 11 -0.589 3.194 1.504
78 HA ALA 11 HA PRG 11 -1.492 0.509 0.837
79 HB1 ALA 11 1HB PRG 11 -2.711 0.287 2.919
80 HB2 ALA 11 2HB PRG 11 -2.168 1.810 3.522
81 H PHE 12 H PHE 12 -3.562 0.246 0.341
82 HA PHE 12 HA PHE 12 -4.882 2.690 -0.532
83 HB2 PHE 12 2HB PHE 12 -5.296 -0.187 -1.354
84 HB3 PHE 12 1HB PHE 12 -6.246 1.159 -1.953
85 HD1 PHE 12 1HD PHE 12 -4.609 3.164 -2.868
86 HD2 PHE 12 2HD PHE 12 -3.720 -1.001 -2.794
87 HE1 PHE 12 1HE PHE 12 -3.034 3.461 -4.719
88 HE2 PHE 12 2HE PHE 12 -2.144 -0.701 -4.639
89 HZ PHE 12 HZ PHE 12 -1.793 1.532 -5.607
90 HA PRO 13 HA PRO 13 -7.876 2.228 2.786
91 HB2 PRO 13 2HB PRO 13 -9.677 3.621 0.876
92 HB3 PRO 13 1HB PRO 13 -9.249 4.060 2.533
93 HG2 PRO 13 2HG PRO 13 -8.227 5.424 0.515
94 HG3 PRO 13 1HG PRO 13 -7.205 4.978 1.893
95 HD2 PRO 13 2HD PRO 13 -7.370 3.712 -0.819
96 HD3 PRO 13 1HD PRO 13 -5.948 4.128 0.169
97 H ASN 14 H ASN 14 -8.234 0.895 -0.303
98 HA ASN 14 HA ASN 14 -10.774 -0.401 0.286
99 HB2 ASN 14 2HB ASN 14 -10.624 -1.334 -2.008
100 HB3 ASN 14 1HB ASN 14 -10.520 0.420 -1.984
101 HD21 ASN 14 1HD2 ASN 14 -8.856 -2.539 -2.641
102 HD22 ASN 14 2HD2 ASN 14 -7.508 -1.827 -3.440
103 H1 WMH 101 1HG AZH 3 -1.957 -2.293 3.859
104 H2 WMH 101 2HG AZH 3 -2.021 -1.404 2.410
105 H5 WMH 101 HD PRG 11 0.489 2.021 4.170
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.412 -0.836 1.081
2 HA2 GLY 1 2HA GLY 1 -6.917 -2.641 2.563
3 HA3 GLY 1 1HA GLY 1 -8.032 -3.641 1.649
4 H LYS 2 H LYS 2 -6.143 -1.804 -0.451
5 HA LYS 2 HA LYS 2 -4.521 -4.150 -1.008
6 HB2 LYS 2 2HB LYS 2 -5.649 -2.901 -2.865
7 HB3 LYS 2 1HB LYS 2 -4.631 -1.520 -2.504
8 HG2 LYS 2 2HG LYS 2 -3.724 -2.697 -4.409
9 HG3 LYS 2 1HG LYS 2 -2.632 -2.886 -3.036
10 HD2 LYS 2 2HD LYS 2 -3.510 -5.119 -2.616
11 HD3 LYS 2 1HD LYS 2 -4.685 -4.924 -3.913
12 HE2 LYS 2 2HE LYS 2 -2.822 -6.277 -4.678
13 HE3 LYS 2 1HE LYS 2 -2.838 -4.741 -5.534
14 HZ1 LYS 2 1HZ LYS 2 -1.061 -5.420 -3.243
15 HZ2 LYS 2 2HZ LYS 2 -1.046 -3.960 -4.128
16 HZ3 LYS 2 3HZ LYS 2 -0.620 -5.394 -4.863
17 H ALA 3 H AZH 3 -2.565 -4.336 -0.230
18 HA ALA 3 HA AZH 3 -1.090 -1.928 0.504
19 HB1 ALA 3 1HB AZH 3 -0.151 -3.641 2.341
20 HB2 ALA 3 2HB AZH 3 -1.790 -4.254 2.180
21 H LEU 4 H LEU 4 0.871 -1.757 -0.156
22 HA LEU 4 HA LEU 4 2.334 -4.179 -0.749
23 HB2 LEU 4 2HB LEU 4 3.532 -3.080 -2.614
24 HB3 LEU 4 1HB LEU 4 1.831 -3.265 -2.946
25 HG LEU 4 HG LEU 4 2.971 -0.625 -2.023
26 HD11 LEU 4 1HD1 LEU 4 3.125 -0.013 -4.388
27 HD12 LEU 4 2HD1 LEU 4 2.673 -1.653 -4.851
28 HD13 LEU 4 3HD1 LEU 4 4.201 -1.359 -4.022
29 HD21 LEU 4 1HD2 LEU 4 0.537 -0.891 -1.939
30 HD22 LEU 4 2HD2 LEU 4 0.533 -1.405 -3.625
31 HD23 LEU 4 3HD2 LEU 4 1.004 0.242 -3.208
32 H PHE 5 H PHE 5 4.087 -4.324 0.341
33 HA PHE 5 HA PHE 5 4.746 -2.104 2.029
34 HB2 PHE 5 2HB PHE 5 5.683 -4.974 2.115
35 HB3 PHE 5 1HB PHE 5 6.158 -3.738 3.274
36 HD1 PHE 5 1HD PHE 5 3.420 -5.883 2.107
37 HD2 PHE 5 2HD PHE 5 4.589 -2.913 4.922
38 HE1 PHE 5 1HE PHE 5 1.411 -6.355 3.427
39 HE2 PHE 5 2HE PHE 5 2.582 -3.384 6.252
40 HZ PHE 5 HZ PHE 5 0.983 -5.107 5.509
41 H SER 6 H SER 6 5.426 -1.065 0.033
42 HA SER 6 HA SER 6 8.105 -1.568 -0.865
43 HB2 SER 6 2HB SER 6 7.483 0.613 -2.099
44 HB3 SER 6 1HB SER 6 6.547 -0.833 -2.495
45 HG SER 6 HG SER 6 5.792 1.413 -0.943
46 H ASN 7 H ASN 7 9.051 1.081 -0.991
47 HA ASN 7 HA ASN 7 8.790 2.103 1.725
48 HB2 ASN 7 2HB ASN 7 10.931 0.929 1.582
49 HB3 ASN 7 1HB ASN 7 11.375 1.876 0.164
50 HD21 ASN 7 1HD2 ASN 7 13.147 2.781 1.097
51 HD22 ASN 7 2HD2 ASN 7 13.066 3.955 2.358
52 HA PRO 8 HA PRO 8 7.870 3.675 2.619
53 HB2 PRO 8 2HB PRO 8 5.625 5.150 2.374
54 HB3 PRO 8 1HB PRO 8 7.183 5.897 2.744
55 HG2 PRO 8 2HG PRO 8 5.801 5.626 0.095
56 HG3 PRO 8 1HG PRO 8 6.534 7.071 0.819
57 HD2 PRO 8 2HD PRO 8 7.851 5.635 -1.006
58 HD3 PRO 8 1HD PRO 8 8.693 6.350 0.382
59 HA PRO 9 HA PRO 9 4.981 0.520 1.300
60 HB2 PRO 9 2HB PRO 9 3.551 0.216 3.627
61 HB3 PRO 9 1HB PRO 9 5.149 -0.493 3.375
62 HG2 PRO 9 2HG PRO 9 4.386 1.973 4.861
63 HG3 PRO 9 1HG PRO 9 5.620 0.761 5.248
64 HD2 PRO 9 2HD PRO 9 6.200 3.181 4.150
65 HD3 PRO 9 1HD PRO 9 7.180 1.729 3.863
66 H ILE 10 H ILE 10 3.194 0.814 0.139
67 HA ILE 10 HA ILE 10 1.586 3.183 0.749
68 HB ILE 10 HB ILE 10 1.762 1.630 -1.853
69 HG12 ILE 10 2HG1 ILE 10 3.018 4.297 -1.134
70 HG13 ILE 10 1HG1 ILE 10 3.890 2.777 -1.274
71 HG21 ILE 10 1HG2 ILE 10 0.486 4.300 -1.209
72 HG22 ILE 10 2HG2 ILE 10 -0.372 2.800 -1.565
73 HG23 ILE 10 3HG2 ILE 10 0.594 3.580 -2.817
74 HD11 ILE 10 1HD1 ILE 10 4.182 4.155 -3.252
75 HD12 ILE 10 2HD1 ILE 10 2.438 4.194 -3.499
76 HD13 ILE 10 3HD1 ILE 10 3.316 2.673 -3.649
77 H ALA 11 H PRG 11 -0.283 2.761 1.744
78 HA ALA 11 HA PRG 11 -1.594 0.310 0.917
79 HB1 ALA 11 1HB PRG 11 -2.672 0.111 3.084
80 HB2 ALA 11 2HB PRG 11 -1.862 1.508 3.712
81 H PHE 12 H PHE 12 -3.557 0.338 0.356
82 HA PHE 12 HA PHE 12 -4.701 2.977 -0.117
83 HB2 PHE 12 2HB PHE 12 -5.239 0.315 -1.451
84 HB3 PHE 12 1HB PHE 12 -6.070 1.811 -1.843
85 HD1 PHE 12 1HD PHE 12 -5.037 3.478 -3.191
86 HD2 PHE 12 2HD PHE 12 -2.867 0.017 -2.021
87 HE1 PHE 12 1HE PHE 12 -3.300 4.013 -4.842
88 HE2 PHE 12 2HE PHE 12 -1.126 0.549 -3.671
89 HZ PHE 12 HZ PHE 12 -1.339 2.549 -5.080
90 HA PRO 13 HA PRO 13 -7.833 2.410 2.962
91 HB2 PRO 13 2HB PRO 13 -9.662 3.517 0.881
92 HB3 PRO 13 1HB PRO 13 -9.430 4.023 2.558
93 HG2 PRO 13 2HG PRO 13 -8.385 5.454 0.601
94 HG3 PRO 13 1HG PRO 13 -7.459 5.157 2.082
95 HD2 PRO 13 2HD PRO 13 -7.176 3.901 -0.611
96 HD3 PRO 13 1HD PRO 13 -5.930 4.378 0.563
97 H ASN 14 H ASN 14 -8.242 1.097 -0.221
98 HA ASN 14 HA ASN 14 -10.662 -0.353 0.376
99 HB2 ASN 14 2HB ASN 14 -10.541 -1.237 -1.846
100 HB3 ASN 14 1HB ASN 14 -10.108 0.460 -1.933
101 HD21 ASN 14 1HD2 ASN 14 -9.507 -1.644 -3.813
102 HD22 ASN 14 2HD2 ASN 14 -7.787 -1.701 -3.947
103 H1 WMH 101 1HG AZH 3 -2.290 -2.553 3.777
104 H2 WMH 101 2HG AZH 3 -2.262 -1.658 2.311
105 H5 WMH 101 HD PRG 11 0.884 1.278 4.062
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -7.854 -1.058 1.216
2 HA2 GLY 1 2HA GLY 1 -7.445 -3.046 2.411
3 HA3 GLY 1 1HA GLY 1 -8.490 -3.904 1.295
4 H LYS 2 H LYS 2 -5.788 -1.776 0.484
5 HA LYS 2 HA LYS 2 -4.366 -4.145 -0.460
6 HB2 LYS 2 2HB LYS 2 -5.592 -3.234 -2.374
7 HB3 LYS 2 1HB LYS 2 -4.852 -1.663 -2.117
8 HG2 LYS 2 2HG LYS 2 -2.644 -2.672 -2.547
9 HG3 LYS 2 1HG LYS 2 -3.448 -4.202 -2.902
10 HD2 LYS 2 2HD LYS 2 -4.689 -3.117 -4.719
11 HD3 LYS 2 1HD LYS 2 -3.866 -1.598 -4.361
12 HE2 LYS 2 2HE LYS 2 -1.712 -2.649 -4.841
13 HE3 LYS 2 1HE LYS 2 -2.535 -4.161 -5.208
14 HZ1 LYS 2 1HZ LYS 2 -2.902 -1.613 -6.679
15 HZ2 LYS 2 2HZ LYS 2 -3.638 -3.080 -7.045
16 HZ3 LYS 2 3HZ LYS 2 -1.978 -2.915 -7.196
17 H ALA 3 H AZH 3 -2.570 -4.118 0.671
18 HA ALA 3 HA AZH 3 -1.106 -1.609 0.871
19 HB1 ALA 3 1HB AZH 3 0.059 -3.075 2.794
20 HB2 ALA 3 2HB AZH 3 -1.552 -3.787 2.827
21 H LEU 4 H LEU 4 0.834 -1.448 0.100
22 HA LEU 4 HA LEU 4 1.917 -3.828 -1.197
23 HB2 LEU 4 2HB LEU 4 2.381 -0.899 -1.787
24 HB3 LEU 4 1HB LEU 4 3.274 -2.191 -2.542
25 HG LEU 4 HG LEU 4 1.699 -1.461 -4.116
26 HD11 LEU 4 1HD1 LEU 4 0.287 -3.380 -4.536
27 HD12 LEU 4 2HD1 LEU 4 0.563 -3.950 -2.894
28 HD13 LEU 4 3HD1 LEU 4 1.908 -3.860 -4.030
29 HD21 LEU 4 1HD2 LEU 4 -0.463 -1.735 -2.032
30 HD22 LEU 4 2HD2 LEU 4 -0.701 -1.251 -3.717
31 HD23 LEU 4 3HD2 LEU 4 0.220 -0.223 -2.621
32 H PHE 5 H PHE 5 3.864 -4.511 -0.713
33 HA PHE 5 HA PHE 5 5.128 -3.292 1.558
34 HB2 PHE 5 2HB PHE 5 5.819 -5.853 0.097
35 HB3 PHE 5 1HB PHE 5 6.563 -5.297 1.598
36 HD1 PHE 5 1HD PHE 5 4.913 -4.810 3.562
37 HD2 PHE 5 2HD PHE 5 3.986 -7.265 0.220
38 HE1 PHE 5 1HE PHE 5 3.123 -5.882 4.843
39 HE2 PHE 5 2HE PHE 5 2.191 -8.333 1.505
40 HZ PHE 5 HZ PHE 5 1.757 -7.646 3.816
41 H SER 6 H SER 6 6.000 -1.511 0.921
42 HA SER 6 HA SER 6 8.248 -1.570 -0.877
43 HB2 SER 6 2HB SER 6 5.876 0.294 -1.200
44 HB3 SER 6 1HB SER 6 7.346 0.310 -2.168
45 HG SER 6 HG SER 6 6.422 -2.138 -2.252
46 H ASN 7 H ASN 7 9.195 0.826 -0.737
47 HA ASN 7 HA ASN 7 8.583 2.016 1.851
48 HB2 ASN 7 2HB ASN 7 10.601 0.602 2.158
49 HB3 ASN 7 1HB ASN 7 11.392 1.458 0.840
50 HD21 ASN 7 1HD2 ASN 7 10.319 1.640 4.143
51 HD22 ASN 7 2HD2 ASN 7 11.177 3.076 4.547
52 HA PRO 8 HA PRO 8 8.115 3.889 2.693
53 HB2 PRO 8 2HB PRO 8 6.130 5.683 2.211
54 HB3 PRO 8 1HB PRO 8 7.772 6.179 2.637
55 HG2 PRO 8 2HG PRO 8 6.487 6.012 -0.061
56 HG3 PRO 8 1HG PRO 8 7.498 7.303 0.614
57 HD2 PRO 8 2HD PRO 8 8.487 5.458 -1.082
58 HD3 PRO 8 1HD PRO 8 9.457 6.141 0.235
59 HA PRO 9 HA PRO 9 4.912 1.007 1.739
60 HB2 PRO 9 2HB PRO 9 3.310 1.257 3.934
61 HB3 PRO 9 1HB PRO 9 4.866 0.423 3.956
62 HG2 PRO 9 2HG PRO 9 4.204 3.205 4.819
63 HG3 PRO 9 1HG PRO 9 5.234 1.999 5.612
64 HD2 PRO 9 2HD PRO 9 6.249 4.019 4.145
65 HD3 PRO 9 1HD PRO 9 7.020 2.422 4.213
66 H ILE 10 H ILE 10 3.315 1.175 0.345
67 HA ILE 10 HA ILE 10 1.595 3.548 0.397
68 HB ILE 10 HB ILE 10 2.018 1.568 -1.869
69 HG12 ILE 10 2HG1 ILE 10 3.146 4.364 -1.550
70 HG13 ILE 10 1HG1 ILE 10 4.069 2.876 -1.379
71 HG21 ILE 10 1HG2 ILE 10 0.873 3.264 -3.244
72 HG22 ILE 10 2HG2 ILE 10 0.630 4.256 -1.807
73 HG23 ILE 10 3HG2 ILE 10 -0.158 2.683 -1.933
74 HD11 ILE 10 1HD1 ILE 10 2.714 3.846 -3.885
75 HD12 ILE 10 2HD1 ILE 10 3.621 2.342 -3.724
76 HD13 ILE 10 3HD1 ILE 10 4.446 3.891 -3.549
77 H ALA 11 H PRG 11 -0.300 3.150 1.390
78 HA ALA 11 HA PRG 11 -1.480 0.528 0.914
79 HB1 ALA 11 1HB PRG 11 -2.556 0.608 3.079
80 HB2 ALA 11 2HB PRG 11 -1.795 2.099 3.505
81 H PHE 12 H PHE 12 -3.505 0.408 0.481
82 HA PHE 12 HA PHE 12 -4.907 2.907 -0.119
83 HB2 PHE 12 2HB PHE 12 -5.102 0.180 -1.403
84 HB3 PHE 12 1HB PHE 12 -6.162 1.526 -1.780
85 HD1 PHE 12 1HD PHE 12 -5.453 3.284 -3.208
86 HD2 PHE 12 2HD PHE 12 -2.726 0.236 -2.059
87 HE1 PHE 12 1HE PHE 12 -3.887 4.036 -4.945
88 HE2 PHE 12 2HE PHE 12 -1.154 0.990 -3.801
89 HZ PHE 12 HZ PHE 12 -1.736 2.886 -5.240
90 HA PRO 13 HA PRO 13 -7.697 1.598 3.044
91 HB2 PRO 13 2HB PRO 13 -9.830 3.170 2.386
92 HB3 PRO 13 1HB PRO 13 -8.398 3.762 3.233
93 HG2 PRO 13 2HG PRO 13 -9.104 3.947 0.345
94 HG3 PRO 13 1HG PRO 13 -8.373 5.170 1.395
95 HD2 PRO 13 2HD PRO 13 -6.917 3.702 -0.349
96 HD3 PRO 13 1HD PRO 13 -6.258 4.254 1.202
97 H ASN 14 H ASN 14 -8.218 1.038 -0.262
98 HA ASN 14 HA ASN 14 -10.713 -0.364 0.072
99 HB2 ASN 14 2HB ASN 14 -10.462 -1.075 -2.293
100 HB3 ASN 14 1HB ASN 14 -10.288 0.661 -2.112
101 HD21 ASN 14 1HD2 ASN 14 -8.667 -2.329 -2.878
102 HD22 ASN 14 2HD2 ASN 14 -7.272 -1.605 -3.567
103 H1 WMH 101 1HG AZH 3 -2.083 -1.919 4.235
104 H2 WMH 101 2HG AZH 3 -2.126 -1.213 2.683
105 H5 WMH 101 HD PRG 11 0.952 2.019 3.840
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -7.888 -1.169 1.086
2 HA2 GLY 1 2HA GLY 1 -7.403 -3.218 2.135
3 HA3 GLY 1 1HA GLY 1 -8.519 -4.023 1.041
4 H LYS 2 H LYS 2 -5.651 -1.949 0.702
5 HA LYS 2 HA LYS 2 -4.293 -4.078 -0.707
6 HB2 LYS 2 2HB LYS 2 -5.585 -2.907 -2.449
7 HB3 LYS 2 1HB LYS 2 -4.863 -1.388 -1.964
8 HG2 LYS 2 2HG LYS 2 -2.680 -2.176 -2.679
9 HG3 LYS 2 1HG LYS 2 -3.384 -3.735 -3.127
10 HD2 LYS 2 2HD LYS 2 -4.854 -2.608 -4.712
11 HD3 LYS 2 1HD LYS 2 -4.135 -1.056 -4.287
12 HE2 LYS 2 2HE LYS 2 -1.978 -1.821 -5.104
13 HE3 LYS 2 1HE LYS 2 -2.666 -3.401 -5.477
14 HZ1 LYS 2 1HZ LYS 2 -2.530 -2.028 -7.437
15 HZ2 LYS 2 2HZ LYS 2 -3.475 -0.828 -6.737
16 HZ3 LYS 2 3HZ LYS 2 -4.135 -2.342 -7.079
17 H ALA 3 H AZH 3 -2.132 -3.963 -0.300
18 HA ALA 3 HA AZH 3 -0.983 -1.483 0.625
19 HB1 ALA 3 1HB AZH 3 0.226 -3.115 2.382
20 HB2 ALA 3 2HB AZH 3 -1.343 -3.905 2.273
21 H LEU 4 H LEU 4 0.922 -1.078 -0.043
22 HA LEU 4 HA LEU 4 2.379 -3.132 -1.498
23 HB2 LEU 4 2HB LEU 4 1.815 -1.101 -2.717
24 HB3 LEU 4 1HB LEU 4 2.566 -0.130 -1.463
25 HG LEU 4 HG LEU 4 4.761 -1.098 -2.073
26 HD11 LEU 4 1HD1 LEU 4 4.018 -3.215 -2.991
27 HD12 LEU 4 2HD1 LEU 4 4.992 -2.331 -4.166
28 HD13 LEU 4 3HD1 LEU 4 3.235 -2.378 -4.331
29 HD21 LEU 4 1HD2 LEU 4 4.998 0.120 -4.188
30 HD22 LEU 4 2HD2 LEU 4 4.064 1.031 -3.003
31 HD23 LEU 4 3HD2 LEU 4 3.243 0.204 -4.326
32 H PHE 5 H PHE 5 3.815 -4.053 -0.308
33 HA PHE 5 HA PHE 5 4.909 -2.706 2.020
34 HB2 PHE 5 2HB PHE 5 5.281 -5.575 1.110
35 HB3 PHE 5 1HB PHE 5 5.802 -4.904 2.652
36 HD1 PHE 5 1HD PHE 5 4.008 -3.989 4.213
37 HD2 PHE 5 2HD PHE 5 3.129 -6.472 0.871
38 HE1 PHE 5 1HE PHE 5 1.830 -4.540 5.193
39 HE2 PHE 5 2HE PHE 5 0.950 -7.024 1.847
40 HZ PHE 5 HZ PHE 5 0.292 -6.061 4.011
41 H SER 6 H SER 6 6.172 -1.247 1.056
42 HA SER 6 HA SER 6 8.741 -2.129 0.117
43 HB2 SER 6 2HB SER 6 6.915 -0.389 -1.584
44 HB3 SER 6 1HB SER 6 8.601 -0.746 -1.944
45 HG SER 6 HG SER 6 7.157 -2.973 -1.472
46 H ASN 7 H ASN 7 9.635 0.376 -0.686
47 HA ASN 7 HA ASN 7 8.986 2.076 1.593
48 HB2 ASN 7 2HB ASN 7 11.628 1.747 0.151
49 HB3 ASN 7 1HB ASN 7 11.310 3.021 1.318
50 HD21 ASN 7 1HD2 ASN 7 9.759 1.314 3.112
51 HD22 ASN 7 2HD2 ASN 7 10.884 0.245 3.848
52 HA PRO 8 HA PRO 8 8.063 3.667 2.078
53 HB2 PRO 8 2HB PRO 8 5.975 5.282 1.829
54 HB3 PRO 8 1HB PRO 8 7.621 5.918 1.719
55 HG2 PRO 8 2HG PRO 8 5.670 5.327 -0.462
56 HG3 PRO 8 1HG PRO 8 6.781 6.695 -0.298
57 HD2 PRO 8 2HD PRO 8 7.240 4.422 -1.832
58 HD3 PRO 8 1HD PRO 8 8.489 5.552 -1.280
59 HA PRO 9 HA PRO 9 4.748 0.688 1.810
60 HB2 PRO 9 2HB PRO 9 3.563 1.038 4.252
61 HB3 PRO 9 1HB PRO 9 5.079 0.161 4.040
62 HG2 PRO 9 2HG PRO 9 4.620 2.955 4.978
63 HG3 PRO 9 1HG PRO 9 5.816 1.770 5.527
64 HD2 PRO 9 2HD PRO 9 6.396 3.834 3.830
65 HD3 PRO 9 1HD PRO 9 7.289 2.302 3.855
66 H ILE 10 H ILE 10 3.343 1.362 0.329
67 HA ILE 10 HA ILE 10 1.554 3.598 0.940
68 HB ILE 10 HB ILE 10 2.101 2.225 -1.715
69 HG12 ILE 10 2HG1 ILE 10 2.985 4.939 -0.693
70 HG13 ILE 10 1HG1 ILE 10 4.019 3.524 -0.829
71 HG21 ILE 10 1HG2 ILE 10 -0.163 3.161 -1.599
72 HG22 ILE 10 2HG2 ILE 10 0.847 4.082 -2.710
73 HG23 ILE 10 3HG2 ILE 10 0.502 4.719 -1.102
74 HD11 ILE 10 1HD1 ILE 10 3.719 3.552 -3.256
75 HD12 ILE 10 2HD1 ILE 10 4.389 5.069 -2.658
76 HD13 ILE 10 3HD1 ILE 10 2.685 4.973 -3.104
77 H ALA 11 H PRG 11 -0.413 3.113 1.671
78 HA ALA 11 HA PRG 11 -1.529 0.544 0.857
79 HB1 ALA 11 1HB PRG 11 -2.628 0.335 2.984
80 HB2 ALA 11 2HB PRG 11 -1.990 1.820 3.592
81 H PHE 12 H PHE 12 -3.742 0.447 0.662
82 HA PHE 12 HA PHE 12 -5.042 3.023 0.151
83 HB2 PHE 12 2HB PHE 12 -5.309 0.456 -1.440
84 HB3 PHE 12 1HB PHE 12 -6.192 1.939 -1.743
85 HD1 PHE 12 1HD PHE 12 -5.163 3.787 -2.884
86 HD2 PHE 12 2HD PHE 12 -2.914 0.288 -1.974
87 HE1 PHE 12 1HE PHE 12 -3.392 4.528 -4.409
88 HE2 PHE 12 2HE PHE 12 -1.137 1.029 -3.498
89 HZ PHE 12 HZ PHE 12 -1.373 3.151 -4.719
90 HA PRO 13 HA PRO 13 -7.838 1.380 3.154
91 HB2 PRO 13 2HB PRO 13 -9.950 3.053 2.727
92 HB3 PRO 13 1HB PRO 13 -8.494 3.502 3.617
93 HG2 PRO 13 2HG PRO 13 -9.255 4.116 0.796
94 HG3 PRO 13 1HG PRO 13 -8.435 5.136 1.985
95 HD2 PRO 13 2HD PRO 13 -7.132 3.851 -0.022
96 HD3 PRO 13 1HD PRO 13 -6.383 4.220 1.542
97 H ASN 14 H ASN 14 -8.260 0.832 -0.055
98 HA ASN 14 HA ASN 14 -10.884 -0.422 0.230
99 HB2 ASN 14 2HB ASN 14 -10.738 -0.966 -2.167
100 HB3 ASN 14 1HB ASN 14 -10.471 0.749 -1.901
101 HD21 ASN 14 1HD2 ASN 14 -9.105 -2.224 -2.993
102 HD22 ASN 14 2HD2 ASN 14 -7.646 -1.561 -3.633
103 H1 WMH 101 1HG AZH 3 -1.978 -2.281 3.912
104 H2 WMH 101 2HG AZH 3 -2.087 -1.396 2.457
105 H5 WMH 101 HD PRG 11 0.734 1.894 4.030
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -7.593 -1.018 1.063
2 HA2 GLY 1 2HA GLY 1 -7.219 -2.880 2.556
3 HA3 GLY 1 1HA GLY 1 -8.061 -3.906 1.405
4 H LYS 2 H LYS 2 -6.394 -2.171 -0.637
5 HA LYS 2 HA LYS 2 -4.363 -4.150 -0.962
6 HB2 LYS 2 2HB LYS 2 -5.009 -1.599 -2.423
7 HB3 LYS 2 1HB LYS 2 -3.603 -2.540 -2.850
8 HG2 LYS 2 2HG LYS 2 -6.443 -3.530 -2.920
9 HG3 LYS 2 1HG LYS 2 -5.524 -2.953 -4.309
10 HD2 LYS 2 2HD LYS 2 -3.858 -4.746 -3.903
11 HD3 LYS 2 1HD LYS 2 -4.869 -5.347 -2.590
12 HE2 LYS 2 2HE LYS 2 -5.704 -5.127 -5.482
13 HE3 LYS 2 1HE LYS 2 -5.194 -6.603 -4.670
14 HZ1 LYS 2 1HZ LYS 2 -7.599 -6.446 -4.775
15 HZ2 LYS 2 2HZ LYS 2 -7.588 -4.986 -3.957
16 HZ3 LYS 2 3HZ LYS 2 -7.092 -6.375 -3.173
17 H ALA 3 H AZH 3 -2.306 -4.110 -0.364
18 HA ALA 3 HA AZH 3 -1.167 -1.645 0.666
19 HB1 ALA 3 1HB AZH 3 -0.089 -3.367 2.428
20 HB2 ALA 3 2HB AZH 3 -1.644 -4.149 2.178
21 H LEU 4 H LEU 4 0.824 -1.273 0.134
22 HA LEU 4 HA LEU 4 2.283 -3.415 -1.222
23 HB2 LEU 4 2HB LEU 4 1.479 -1.654 -2.730
24 HB3 LEU 4 1HB LEU 4 2.313 -0.460 -1.746
25 HG LEU 4 HG LEU 4 4.472 -1.507 -2.368
26 HD11 LEU 4 1HD1 LEU 4 4.525 -3.080 -4.251
27 HD12 LEU 4 2HD1 LEU 4 2.766 -3.178 -4.203
28 HD13 LEU 4 3HD1 LEU 4 3.722 -3.751 -2.836
29 HD21 LEU 4 1HD2 LEU 4 4.512 -0.668 -4.671
30 HD22 LEU 4 2HD2 LEU 4 3.646 0.429 -3.594
31 HD23 LEU 4 3HD2 LEU 4 2.750 -0.630 -4.684
32 H PHE 5 H PHE 5 3.713 -4.033 0.131
33 HA PHE 5 HA PHE 5 4.918 -2.188 2.012
34 HB2 PHE 5 2HB PHE 5 5.244 -5.179 1.761
35 HB3 PHE 5 1HB PHE 5 6.003 -4.193 3.003
36 HD1 PHE 5 1HD PHE 5 2.990 -5.877 1.937
37 HD2 PHE 5 2HD PHE 5 4.585 -3.059 4.695
38 HE1 PHE 5 1HE PHE 5 1.004 -6.151 3.365
39 HE2 PHE 5 2HE PHE 5 2.609 -3.330 6.120
40 HZ PHE 5 HZ PHE 5 0.816 -4.877 5.459
41 H SER 6 H SER 6 5.999 -0.990 0.542
42 HA SER 6 HA SER 6 8.559 -2.085 -0.274
43 HB2 SER 6 2HB SER 6 6.759 -0.267 -1.913
44 HB3 SER 6 1HB SER 6 8.369 -0.807 -2.390
45 HG SER 6 HG SER 6 7.009 -2.936 -1.727
46 H ASN 7 H ASN 7 9.546 0.442 -1.195
47 HA ASN 7 HA ASN 7 9.119 1.977 1.212
48 HB2 ASN 7 2HB ASN 7 11.356 3.037 0.868
49 HB3 ASN 7 1HB ASN 7 11.449 1.306 1.110
50 HD21 ASN 7 1HD2 ASN 7 13.252 3.270 -0.149
51 HD22 ASN 7 2HD2 ASN 7 13.615 2.651 -1.708
52 HA PRO 8 HA PRO 8 8.292 3.407 2.057
53 HB2 PRO 8 2HB PRO 8 6.327 5.160 2.402
54 HB3 PRO 8 1HB PRO 8 7.982 5.717 2.134
55 HG2 PRO 8 2HG PRO 8 5.688 5.603 0.220
56 HG3 PRO 8 1HG PRO 8 6.912 6.866 0.423
57 HD2 PRO 8 2HD PRO 8 6.974 4.885 -1.518
58 HD3 PRO 8 1HD PRO 8 8.377 5.815 -0.972
59 HA PRO 9 HA PRO 9 4.838 0.559 1.843
60 HB2 PRO 9 2HB PRO 9 3.894 0.724 4.421
61 HB3 PRO 9 1HB PRO 9 5.306 -0.226 3.954
62 HG2 PRO 9 2HG PRO 9 5.172 2.492 5.185
63 HG3 PRO 9 1HG PRO 9 6.303 1.168 5.514
64 HD2 PRO 9 2HD PRO 9 6.967 3.299 3.997
65 HD3 PRO 9 1HD PRO 9 7.616 1.675 3.696
66 H ILE 10 H ILE 10 3.111 1.140 0.751
67 HA ILE 10 HA ILE 10 1.485 3.333 1.786
68 HB ILE 10 HB ILE 10 2.550 4.020 -0.293
69 HG12 ILE 10 2HG1 ILE 10 -0.369 3.376 -0.772
70 HG13 ILE 10 1HG1 ILE 10 0.234 4.767 0.117
71 HG21 ILE 10 1HG2 ILE 10 2.159 2.859 -2.423
72 HG22 ILE 10 2HG2 ILE 10 1.317 1.579 -1.555
73 HG23 ILE 10 3HG2 ILE 10 3.035 1.853 -1.264
74 HD11 ILE 10 1HD1 ILE 10 -0.455 5.360 -2.134
75 HD12 ILE 10 2HD1 ILE 10 0.701 4.207 -2.802
76 HD13 ILE 10 3HD1 ILE 10 1.275 5.618 -1.911
77 H ALA 11 H PRG 11 -0.622 2.947 2.117
78 HA ALA 11 HA PRG 11 -1.657 0.424 1.105
79 HB1 ALA 11 1HB PRG 11 -2.945 0.084 3.127
80 HB2 ALA 11 2HB PRG 11 -2.316 1.503 3.889
81 H PHE 12 H PHE 12 -3.716 0.377 0.555
82 HA PHE 12 HA PHE 12 -4.835 3.005 -0.045
83 HB2 PHE 12 2HB PHE 12 -5.262 0.366 -1.466
84 HB3 PHE 12 1HB PHE 12 -5.897 1.925 -1.967
85 HD1 PHE 12 1HD PHE 12 -4.359 3.646 -2.844
86 HD2 PHE 12 2HD PHE 12 -3.032 -0.294 -1.971
87 HE1 PHE 12 1HE PHE 12 -2.348 4.019 -4.219
88 HE2 PHE 12 2HE PHE 12 -1.027 0.066 -3.341
89 HZ PHE 12 HZ PHE 12 -0.681 2.221 -4.467
90 HA PRO 13 HA PRO 13 -8.198 2.149 2.708
91 HB2 PRO 13 2HB PRO 13 -10.218 3.440 1.367
92 HB3 PRO 13 1HB PRO 13 -9.007 4.249 2.365
93 HG2 PRO 13 2HG PRO 13 -9.056 3.859 -0.607
94 HG3 PRO 13 1HG PRO 13 -8.660 5.321 0.315
95 HD2 PRO 13 2HD PRO 13 -6.726 3.821 -0.712
96 HD3 PRO 13 1HD PRO 13 -6.552 4.514 0.913
97 H ASN 14 H ASN 14 -8.071 0.701 -0.302
98 HA ASN 14 HA ASN 14 -10.682 -0.623 -0.045
99 HB2 ASN 14 2HB ASN 14 -10.289 -1.545 -2.260
100 HB3 ASN 14 1HB ASN 14 -9.983 0.187 -2.304
101 HD21 ASN 14 1HD2 ASN 14 -9.008 -1.954 -4.057
102 HD22 ASN 14 2HD2 ASN 14 -7.302 -1.810 -4.024
103 H1 WMH 101 1HG AZH 3 -2.417 -2.605 3.844
104 H2 WMH 101 2HG AZH 3 -2.377 -1.614 2.452
105 H5 WMH 101 HD PRG 11 0.371 1.469 4.512
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -7.696 -1.090 0.679
2 HA2 GLY 1 2HA GLY 1 -7.763 -3.042 2.079
3 HA3 GLY 1 1HA GLY 1 -8.489 -3.917 0.743
4 H LYS 2 H LYS 2 -6.065 -2.025 -0.498
5 HA LYS 2 HA LYS 2 -4.302 -4.354 -0.492
6 HB2 LYS 2 2HB LYS 2 -4.504 -2.067 -2.452
7 HB3 LYS 2 1HB LYS 2 -3.283 -3.325 -2.534
8 HG2 LYS 2 2HG LYS 2 -6.260 -3.788 -2.719
9 HG3 LYS 2 1HG LYS 2 -5.158 -3.698 -4.093
10 HD2 LYS 2 2HD LYS 2 -3.927 -5.643 -3.217
11 HD3 LYS 2 1HD LYS 2 -5.039 -5.726 -1.853
12 HE2 LYS 2 2HE LYS 2 -5.832 -6.013 -4.750
13 HE3 LYS 2 1HE LYS 2 -5.570 -7.354 -3.639
14 HZ1 LYS 2 1HZ LYS 2 -7.387 -6.467 -2.259
15 HZ2 LYS 2 2HZ LYS 2 -7.882 -6.891 -3.788
16 HZ3 LYS 2 3HZ LYS 2 -7.699 -5.268 -3.407
17 H ALA 3 H AZH 3 -2.165 -4.185 -0.018
18 HA ALA 3 HA AZH 3 -1.231 -1.623 1.014
19 HB1 ALA 3 1HB AZH 3 0.134 -3.292 2.610
20 HB2 ALA 3 2HB AZH 3 -1.320 -4.255 2.375
21 H LEU 4 H LEU 4 0.692 -0.966 0.435
22 HA LEU 4 HA LEU 4 2.203 -2.749 -1.296
23 HB2 LEU 4 2HB LEU 4 1.553 -0.609 -2.243
24 HB3 LEU 4 1HB LEU 4 2.342 0.226 -0.909
25 HG LEU 4 HG LEU 4 4.504 -0.756 -1.686
26 HD11 LEU 4 1HD1 LEU 4 2.883 -1.561 -4.090
27 HD12 LEU 4 2HD1 LEU 4 3.682 -2.642 -2.946
28 HD13 LEU 4 3HD1 LEU 4 4.642 -1.590 -3.983
29 HD21 LEU 4 1HD2 LEU 4 4.788 0.804 -3.548
30 HD22 LEU 4 2HD2 LEU 4 3.906 1.537 -2.209
31 HD23 LEU 4 3HD2 LEU 4 3.038 0.998 -3.646
32 H PHE 5 H PHE 5 3.519 -3.822 -0.105
33 HA PHE 5 HA PHE 5 4.934 -2.467 2.054
34 HB2 PHE 5 2HB PHE 5 3.794 -4.761 2.402
35 HB3 PHE 5 1HB PHE 5 5.112 -5.421 1.440
36 HD1 PHE 5 1HD PHE 5 4.181 -3.879 4.621
37 HD2 PHE 5 2HD PHE 5 7.352 -5.546 2.340
38 HE1 PHE 5 1HE PHE 5 5.556 -4.011 6.646
39 HE2 PHE 5 2HE PHE 5 8.739 -5.683 4.372
40 HZ PHE 5 HZ PHE 5 7.839 -4.917 6.526
41 H SER 6 H SER 6 6.122 -1.249 0.721
42 HA SER 6 HA SER 6 8.598 -2.296 -0.227
43 HB2 SER 6 2HB SER 6 6.646 -0.913 -2.135
44 HB3 SER 6 1HB SER 6 8.319 -1.307 -2.506
45 HG SER 6 HG SER 6 6.939 -3.448 -1.614
46 H ASN 7 H ASN 7 9.416 0.128 -1.455
47 HA ASN 7 HA ASN 7 8.748 1.992 0.686
48 HB2 ASN 7 2HB ASN 7 10.884 3.144 0.330
49 HB3 ASN 7 1HB ASN 7 11.181 1.437 0.587
50 HD21 ASN 7 1HD2 ASN 7 11.904 0.209 -1.180
51 HD22 ASN 7 2HD2 ASN 7 12.604 0.940 -2.581
52 HA PRO 8 HA PRO 8 8.272 3.796 1.257
53 HB2 PRO 8 2HB PRO 8 6.233 5.511 1.465
54 HB3 PRO 8 1HB PRO 8 7.803 6.039 0.851
55 HG2 PRO 8 2HG PRO 8 5.288 5.453 -0.631
56 HG3 PRO 8 1HG PRO 8 6.515 6.688 -0.946
57 HD2 PRO 8 2HD PRO 8 6.288 4.225 -2.255
58 HD3 PRO 8 1HD PRO 8 7.707 5.281 -2.276
59 HA PRO 9 HA PRO 9 5.003 0.889 2.181
60 HB2 PRO 9 2HB PRO 9 4.795 1.336 4.891
61 HB3 PRO 9 1HB PRO 9 6.031 0.312 4.160
62 HG2 PRO 9 2HG PRO 9 6.223 3.108 5.150
63 HG3 PRO 9 1HG PRO 9 7.429 1.813 5.205
64 HD2 PRO 9 2HD PRO 9 7.494 3.874 3.410
65 HD3 PRO 9 1HD PRO 9 8.189 2.273 3.089
66 H ILE 10 H ILE 10 3.035 1.351 1.567
67 HA ILE 10 HA ILE 10 1.483 3.331 2.979
68 HB ILE 10 HB ILE 10 2.428 4.641 1.157
69 HG12 ILE 10 2HG1 ILE 10 -0.451 3.930 0.520
70 HG13 ILE 10 1HG1 ILE 10 0.070 5.084 1.738
71 HG21 ILE 10 1HG2 ILE 10 2.088 4.084 -1.210
72 HG22 ILE 10 2HG2 ILE 10 1.386 2.540 -0.729
73 HG23 ILE 10 3HG2 ILE 10 3.075 2.891 -0.363
74 HD11 ILE 10 1HD1 ILE 10 -0.705 6.200 -0.279
75 HD12 ILE 10 2HD1 ILE 10 0.499 5.336 -1.234
76 HD13 ILE 10 3HD1 ILE 10 1.012 6.505 -0.015
77 H ALA 11 H PRG 11 -0.678 2.814 3.038
78 HA ALA 11 HA PRG 11 -1.419 0.373 1.630
79 HB1 ALA 11 1HB PRG 11 -2.903 -0.177 3.488
80 HB2 ALA 11 2HB PRG 11 -2.395 1.199 4.403
81 H PHE 12 H PHE 12 -3.627 0.249 1.004
82 HA PHE 12 HA PHE 12 -4.618 2.934 0.481
83 HB2 PHE 12 2HB PHE 12 -4.765 0.523 -1.341
84 HB3 PHE 12 1HB PHE 12 -5.346 2.142 -1.713
85 HD1 PHE 12 1HD PHE 12 -3.718 3.998 -2.004
86 HD2 PHE 12 2HD PHE 12 -2.477 -0.047 -1.558
87 HE1 PHE 12 1HE PHE 12 -1.497 4.586 -2.876
88 HE2 PHE 12 2HE PHE 12 -0.253 0.535 -2.434
89 HZ PHE 12 HZ PHE 12 0.236 2.865 -3.092
90 HA PRO 13 HA PRO 13 -8.376 1.771 2.528
91 HB2 PRO 13 2HB PRO 13 -9.738 3.436 0.494
92 HB3 PRO 13 1HB PRO 13 -9.771 3.565 2.256
93 HG2 PRO 13 2HG PRO 13 -8.394 5.305 0.809
94 HG3 PRO 13 1HG PRO 13 -7.744 4.688 2.338
95 HD2 PRO 13 2HD PRO 13 -7.028 3.934 -0.465
96 HD3 PRO 13 1HD PRO 13 -5.993 4.182 0.958
97 H ASN 14 H ASN 14 -7.819 0.903 -0.699
98 HA ASN 14 HA ASN 14 -10.387 -0.373 -1.100
99 HB2 ASN 14 2HB ASN 14 -9.524 -1.174 -3.213
100 HB3 ASN 14 1HB ASN 14 -9.120 0.523 -3.062
101 HD21 ASN 14 1HD2 ASN 14 -7.919 -1.396 -4.782
102 HD22 ASN 14 2HD2 ASN 14 -6.256 -1.498 -4.352
103 H1 WMH 101 1HG AZH 3 -2.300 -2.908 4.080
104 H2 WMH 101 2HG AZH 3 -2.259 -1.779 2.810
105 H5 WMH 101 HD PRG 11 0.209 1.227 5.285
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -7.436 -1.024 0.873
2 HA2 GLY 1 2HA GLY 1 -7.119 -2.855 2.488
3 HA3 GLY 1 1HA GLY 1 -7.965 -3.883 1.346
4 H LYS 2 H LYS 2 -6.305 -2.100 -0.669
5 HA LYS 2 HA LYS 2 -4.293 -4.080 -1.109
6 HB2 LYS 2 2HB LYS 2 -5.355 -2.986 -2.987
7 HB3 LYS 2 1HB LYS 2 -4.849 -1.412 -2.419
8 HG2 LYS 2 2HG LYS 2 -3.506 -2.082 -4.293
9 HG3 LYS 2 1HG LYS 2 -2.508 -2.039 -2.843
10 HD2 LYS 2 2HD LYS 2 -2.654 -4.453 -2.646
11 HD3 LYS 2 1HD LYS 2 -3.727 -4.524 -4.046
12 HE2 LYS 2 2HE LYS 2 -0.876 -3.537 -4.043
13 HE3 LYS 2 1HE LYS 2 -1.420 -5.100 -4.641
14 HZ1 LYS 2 1HZ LYS 2 -2.769 -3.924 -6.300
15 HZ2 LYS 2 2HZ LYS 2 -1.144 -3.542 -6.460
16 HZ3 LYS 2 3HZ LYS 2 -2.189 -2.445 -5.744
17 H ALA 3 H AZH 3 -2.274 -4.110 -0.314
18 HA ALA 3 HA AZH 3 -1.131 -1.610 0.659
19 HB1 ALA 3 1HB AZH 3 -0.023 -3.319 2.403
20 HB2 ALA 3 2HB AZH 3 -1.563 -4.129 2.141
21 H LEU 4 H LEU 4 0.849 -1.152 0.106
22 HA LEU 4 HA LEU 4 2.384 -3.212 -1.295
23 HB2 LEU 4 2HB LEU 4 2.632 -0.204 -1.381
24 HB3 LEU 4 1HB LEU 4 3.664 -1.326 -2.237
25 HG LEU 4 HG LEU 4 0.735 -0.881 -2.713
26 HD11 LEU 4 1HD1 LEU 4 3.163 -0.132 -4.327
27 HD12 LEU 4 2HD1 LEU 4 2.079 0.973 -3.484
28 HD13 LEU 4 3HD1 LEU 4 1.495 0.050 -4.867
29 HD21 LEU 4 1HD2 LEU 4 1.321 -3.198 -3.170
30 HD22 LEU 4 2HD2 LEU 4 2.693 -2.679 -4.146
31 HD23 LEU 4 3HD2 LEU 4 1.051 -2.338 -4.686
32 H PHE 5 H PHE 5 3.713 -4.115 0.112
33 HA PHE 5 HA PHE 5 4.898 -2.478 2.176
34 HB2 PHE 5 2HB PHE 5 5.202 -5.438 1.602
35 HB3 PHE 5 1HB PHE 5 5.935 -4.598 2.967
36 HD1 PHE 5 1HD PHE 5 4.513 -3.674 4.751
37 HD2 PHE 5 2HD PHE 5 2.902 -6.059 1.620
38 HE1 PHE 5 1HE PHE 5 2.480 -4.033 6.074
39 HE2 PHE 5 2HE PHE 5 0.864 -6.419 2.937
40 HZ PHE 5 HZ PHE 5 0.651 -5.404 5.171
41 H SER 6 H SER 6 5.912 -1.138 0.846
42 HA SER 6 HA SER 6 8.353 -2.079 -0.418
43 HB2 SER 6 2HB SER 6 6.196 -0.272 -1.553
44 HB3 SER 6 1HB SER 6 7.764 -0.552 -2.326
45 HG SER 6 HG SER 6 6.624 -2.069 -3.241
46 H ASN 7 H ASN 7 9.033 0.615 -1.306
47 HA ASN 7 HA ASN 7 9.059 2.063 1.234
48 HB2 ASN 7 2HB ASN 7 11.315 1.189 0.829
49 HB3 ASN 7 1HB ASN 7 11.300 1.868 -0.794
50 HD21 ASN 7 1HD2 ASN 7 11.586 2.586 2.607
51 HD22 ASN 7 2HD2 ASN 7 12.181 4.193 2.403
52 HA PRO 8 HA PRO 8 8.057 3.473 2.013
53 HB2 PRO 8 2HB PRO 8 5.933 5.054 2.244
54 HB3 PRO 8 1HB PRO 8 7.548 5.750 2.051
55 HG2 PRO 8 2HG PRO 8 5.389 5.382 0.012
56 HG3 PRO 8 1HG PRO 8 6.441 6.782 0.277
57 HD2 PRO 8 2HD PRO 8 6.872 4.854 -1.644
58 HD3 PRO 8 1HD PRO 8 8.143 5.878 -0.953
59 HA PRO 9 HA PRO 9 4.774 0.470 1.570
60 HB2 PRO 9 2HB PRO 9 4.015 0.197 4.156
61 HB3 PRO 9 1HB PRO 9 5.521 -0.483 3.533
62 HG2 PRO 9 2HG PRO 9 5.087 2.040 5.086
63 HG3 PRO 9 1HG PRO 9 6.383 0.844 5.244
64 HD2 PRO 9 2HD PRO 9 6.691 3.203 3.928
65 HD3 PRO 9 1HD PRO 9 7.581 1.730 3.509
66 H ILE 10 H ILE 10 3.297 1.668 0.444
67 HA ILE 10 HA ILE 10 1.512 3.416 1.919
68 HB ILE 10 HB ILE 10 2.408 4.403 -0.096
69 HG12 ILE 10 2HG1 ILE 10 -0.481 3.632 -0.601
70 HG13 ILE 10 1HG1 ILE 10 0.046 4.938 0.448
71 HG21 ILE 10 1HG2 ILE 10 3.019 2.435 -1.336
72 HG22 ILE 10 2HG2 ILE 10 2.014 3.479 -2.341
73 HG23 ILE 10 3HG2 ILE 10 1.321 2.038 -1.599
74 HD11 ILE 10 1HD1 ILE 10 0.467 4.774 -2.531
75 HD12 ILE 10 2HD1 ILE 10 1.000 6.095 -1.491
76 HD13 ILE 10 3HD1 ILE 10 -0.722 5.777 -1.700
77 H ALA 11 H PRG 11 -0.560 2.955 2.303
78 HA ALA 11 HA PRG 11 -1.566 0.483 1.140
79 HB1 ALA 11 1HB PRG 11 -2.913 0.093 3.125
80 HB2 ALA 11 2HB PRG 11 -2.299 1.495 3.929
81 H PHE 12 H PHE 12 -3.569 0.416 0.465
82 HA PHE 12 HA PHE 12 -4.784 3.015 -0.068
83 HB2 PHE 12 2HB PHE 12 -5.041 0.364 -1.520
84 HB3 PHE 12 1HB PHE 12 -5.857 1.847 -1.989
85 HD1 PHE 12 1HD PHE 12 -2.521 0.259 -1.653
86 HD2 PHE 12 2HD PHE 12 -4.760 3.473 -3.316
87 HE1 PHE 12 1HE PHE 12 -0.580 0.893 -3.024
88 HE2 PHE 12 2HE PHE 12 -2.820 4.110 -4.690
89 HZ PHE 12 HZ PHE 12 -0.727 2.823 -4.543
90 HA PRO 13 HA PRO 13 -7.963 2.070 2.753
91 HB2 PRO 13 2HB PRO 13 -10.107 3.290 1.524
92 HB3 PRO 13 1HB PRO 13 -8.888 4.118 2.497
93 HG2 PRO 13 2HG PRO 13 -9.084 3.839 -0.465
94 HG3 PRO 13 1HG PRO 13 -8.620 5.257 0.496
95 HD2 PRO 13 2HD PRO 13 -6.791 3.743 -0.748
96 HD3 PRO 13 1HD PRO 13 -6.465 4.462 0.844
97 H ASN 14 H ASN 14 -8.211 0.845 -0.460
98 HA ASN 14 HA ASN 14 -10.669 -0.572 0.100
99 HB2 ASN 14 2HB ASN 14 -10.522 -1.556 -2.081
100 HB3 ASN 14 1HB ASN 14 -10.093 0.139 -2.238
101 HD21 ASN 14 1HD2 ASN 14 -9.511 -2.182 -3.909
102 HD22 ASN 14 2HD2 ASN 14 -7.804 -2.240 -4.089
103 H1 WMH 101 1HG AZH 3 -2.400 -2.602 3.779
104 H2 WMH 101 2HG AZH 3 -2.310 -1.582 2.413
105 H5 WMH 101 HD PRG 11 0.358 1.436 4.665
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -7.462 -1.131 1.004
2 HA2 GLY 1 2HA GLY 1 -7.123 -3.098 2.449
3 HA3 GLY 1 1HA GLY 1 -7.968 -4.022 1.223
4 H LYS 2 H LYS 2 -6.248 -2.055 -0.621
5 HA LYS 2 HA LYS 2 -4.220 -4.081 -0.957
6 HB2 LYS 2 2HB LYS 2 -5.513 -3.054 -2.872
7 HB3 LYS 2 1HB LYS 2 -4.654 -1.558 -2.588
8 HG2 LYS 2 2HG LYS 2 -3.309 -4.164 -3.336
9 HG3 LYS 2 1HG LYS 2 -3.814 -2.957 -4.508
10 HD2 LYS 2 2HD LYS 2 -2.289 -1.328 -3.432
11 HD3 LYS 2 1HD LYS 2 -1.779 -2.580 -2.300
12 HE2 LYS 2 2HE LYS 2 -0.144 -2.393 -4.071
13 HE3 LYS 2 1HE LYS 2 -1.000 -3.927 -4.206
14 HZ1 LYS 2 1HZ LYS 2 -0.712 -2.768 -6.361
15 HZ2 LYS 2 2HZ LYS 2 -1.686 -1.513 -5.786
16 HZ3 LYS 2 3HZ LYS 2 -2.325 -3.047 -5.975
17 H ALA 3 H AZH 3 -2.315 -3.987 -0.095
18 HA ALA 3 HA AZH 3 -1.091 -1.407 0.505
19 HB1 ALA 3 1HB AZH 3 0.117 -2.943 2.347
20 HB2 ALA 3 2HB AZH 3 -1.440 -3.755 2.278
21 H LEU 4 H LEU 4 0.805 -1.081 -0.193
22 HA LEU 4 HA LEU 4 2.248 -3.247 -1.519
23 HB2 LEU 4 2HB LEU 4 1.595 -1.288 -2.877
24 HB3 LEU 4 1HB LEU 4 2.472 -0.256 -1.761
25 HG LEU 4 HG LEU 4 4.581 -1.349 -2.436
26 HD11 LEU 4 1HD1 LEU 4 4.602 -2.770 -4.436
27 HD12 LEU 4 2HD1 LEU 4 2.837 -2.773 -4.434
28 HD13 LEU 4 3HD1 LEU 4 3.721 -3.508 -3.099
29 HD21 LEU 4 1HD2 LEU 4 4.710 -0.330 -4.661
30 HD22 LEU 4 2HD2 LEU 4 3.867 0.713 -3.517
31 HD23 LEU 4 3HD2 LEU 4 2.952 -0.212 -4.705
32 H PHE 5 H PHE 5 3.666 -4.027 -0.237
33 HA PHE 5 HA PHE 5 4.724 -2.488 1.983
34 HB2 PHE 5 2HB PHE 5 5.107 -5.407 1.297
35 HB3 PHE 5 1HB PHE 5 5.601 -4.620 2.791
36 HD1 PHE 5 1HD PHE 5 3.955 -3.946 4.441
37 HD2 PHE 5 2HD PHE 5 2.793 -5.982 0.900
38 HE1 PHE 5 1HE PHE 5 1.766 -4.459 5.450
39 HE2 PHE 5 2HE PHE 5 0.608 -6.490 1.897
40 HZ PHE 5 HZ PHE 5 0.093 -5.728 4.177
41 H SER 6 H SER 6 6.209 -1.162 1.254
42 HA SER 6 HA SER 6 8.719 -2.174 0.298
43 HB2 SER 6 2HB SER 6 7.097 -0.191 -1.355
44 HB3 SER 6 1HB SER 6 8.734 -0.736 -1.710
45 HG SER 6 HG SER 6 7.201 -2.864 -1.405
46 H ASN 7 H ASN 7 9.865 0.274 -0.326
47 HA ASN 7 HA ASN 7 9.185 2.005 1.926
48 HB2 ASN 7 2HB ASN 7 11.875 1.548 0.592
49 HB3 ASN 7 1HB ASN 7 11.569 2.833 1.748
50 HD21 ASN 7 1HD2 ASN 7 11.328 2.306 3.925
51 HD22 ASN 7 2HD2 ASN 7 11.776 0.768 4.550
52 HA PRO 8 HA PRO 8 8.122 3.545 2.262
53 HB2 PRO 8 2HB PRO 8 6.138 5.267 1.782
54 HB3 PRO 8 1HB PRO 8 7.802 5.835 1.967
55 HG2 PRO 8 2HG PRO 8 6.193 5.447 -0.515
56 HG3 PRO 8 1HG PRO 8 7.337 6.738 -0.112
57 HD2 PRO 8 2HD PRO 8 7.913 4.522 -1.687
58 HD3 PRO 8 1HD PRO 8 9.115 5.541 -0.877
59 HA PRO 9 HA PRO 9 4.801 0.748 1.283
60 HB2 PRO 9 2HB PRO 9 3.434 0.718 3.636
61 HB3 PRO 9 1HB PRO 9 4.994 -0.078 3.426
62 HG2 PRO 9 2HG PRO 9 4.331 2.430 4.829
63 HG3 PRO 9 1HG PRO 9 5.662 1.302 5.117
64 HD2 PRO 9 2HD PRO 9 5.795 3.772 3.751
65 HD3 PRO 9 1HD PRO 9 7.056 2.538 3.814
66 H ILE 10 H ILE 10 3.017 1.012 0.189
67 HA ILE 10 HA ILE 10 1.486 3.500 0.561
68 HB ILE 10 HB ILE 10 1.780 1.790 -1.927
69 HG12 ILE 10 2HG1 ILE 10 3.859 2.976 -1.474
70 HG13 ILE 10 1HG1 ILE 10 3.057 3.697 -2.862
71 HG21 ILE 10 1HG2 ILE 10 0.388 4.430 -1.576
72 HG22 ILE 10 2HG2 ILE 10 -0.389 2.867 -1.827
73 HG23 ILE 10 3HG2 ILE 10 0.604 3.572 -3.102
74 HD11 ILE 10 1HD1 ILE 10 4.011 5.406 -1.438
75 HD12 ILE 10 2HD1 ILE 10 3.113 4.794 -0.052
76 HD13 ILE 10 3HD1 ILE 10 2.250 5.517 -1.410
77 H ALA 11 H PRG 11 -0.594 3.240 1.257
78 HA ALA 11 HA PRG 11 -1.801 0.637 0.766
79 HB1 ALA 11 1HB PRG 11 -2.774 0.514 2.960
80 HB2 ALA 11 2HB PRG 11 -2.104 2.017 3.478
81 H PHE 12 H PHE 12 -3.935 0.575 0.551
82 HA PHE 12 HA PHE 12 -5.285 3.158 0.215
83 HB2 PHE 12 2HB PHE 12 -5.694 0.617 -1.397
84 HB3 PHE 12 1HB PHE 12 -6.536 2.139 -1.638
85 HD1 PHE 12 1HD PHE 12 -3.530 0.242 -2.277
86 HD2 PHE 12 2HD PHE 12 -5.314 4.085 -2.563
87 HE1 PHE 12 1HE PHE 12 -1.794 0.921 -3.876
88 HE2 PHE 12 2HE PHE 12 -3.576 4.774 -4.158
89 HZ PHE 12 HZ PHE 12 -1.813 3.190 -4.820
90 HA PRO 13 HA PRO 13 -8.041 1.580 3.311
91 HB2 PRO 13 2HB PRO 13 -10.369 2.842 2.565
92 HB3 PRO 13 1HB PRO 13 -9.062 3.627 3.457
93 HG2 PRO 13 2HG PRO 13 -9.666 3.695 0.529
94 HG3 PRO 13 1HG PRO 13 -9.167 5.016 1.603
95 HD2 PRO 13 2HD PRO 13 -7.430 3.826 -0.055
96 HD3 PRO 13 1HD PRO 13 -6.938 4.375 1.560
97 H ASN 14 H ASN 14 -8.447 0.948 0.038
98 HA ASN 14 HA ASN 14 -10.767 -0.695 0.267
99 HB2 ASN 14 2HB ASN 14 -10.269 -1.436 -2.061
100 HB3 ASN 14 1HB ASN 14 -10.347 0.310 -1.898
101 HD21 ASN 14 1HD2 ASN 14 -9.160 0.655 -3.742
102 HD22 ASN 14 2HD2 ASN 14 -7.464 0.357 -3.847
103 H1 WMH 101 1HG AZH 3 -2.089 -2.079 3.850
104 H2 WMH 101 2HG AZH 3 -2.202 -1.222 2.369
105 H5 WMH 101 HD PRG 11 0.604 2.101 3.924
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -7.404 -1.206 1.171
2 HA2 GLY 1 2HA GLY 1 -6.569 -3.118 2.409
3 HA3 GLY 1 1HA GLY 1 -7.537 -4.144 1.357
4 H LYS 2 H LYS 2 -6.279 -1.744 -0.506
5 HA LYS 2 HA LYS 2 -4.361 -3.547 -1.656
6 HB2 LYS 2 2HB LYS 2 -5.740 -2.061 -3.091
7 HB3 LYS 2 1HB LYS 2 -4.945 -0.668 -2.378
8 HG2 LYS 2 2HG LYS 2 -2.827 -1.329 -3.313
9 HG3 LYS 2 1HG LYS 2 -3.535 -2.819 -3.935
10 HD2 LYS 2 2HD LYS 2 -5.040 -1.490 -5.349
11 HD3 LYS 2 1HD LYS 2 -4.272 -0.017 -4.749
12 HE2 LYS 2 2HE LYS 2 -2.821 -2.238 -6.174
13 HE3 LYS 2 1HE LYS 2 -3.433 -0.791 -6.964
14 HZ1 LYS 2 1HZ LYS 2 -1.056 -0.689 -6.383
15 HZ2 LYS 2 2HZ LYS 2 -1.438 -0.701 -4.732
16 HZ3 LYS 2 3HZ LYS 2 -1.960 0.550 -5.734
17 H ALA 3 H AZH 3 -2.332 -3.723 -1.015
18 HA ALA 3 HA AZH 3 -0.959 -1.440 0.089
19 HB1 ALA 3 1HB AZH 3 -0.148 -3.228 1.890
20 HB2 ALA 3 2HB AZH 3 -1.791 -3.805 1.626
21 H LEU 4 H LEU 4 1.179 -1.526 0.151
22 HA LEU 4 HA LEU 4 2.510 -3.718 -1.257
23 HB2 LEU 4 2HB LEU 4 3.239 -0.780 -1.224
24 HB3 LEU 4 1HB LEU 4 4.135 -2.043 -2.030
25 HG LEU 4 HG LEU 4 1.393 -1.043 -2.779
26 HD11 LEU 4 1HD1 LEU 4 4.069 -0.767 -4.137
27 HD12 LEU 4 2HD1 LEU 4 3.182 0.515 -3.314
28 HD13 LEU 4 3HD1 LEU 4 2.525 -0.209 -4.781
29 HD21 LEU 4 1HD2 LEU 4 1.592 -2.496 -4.732
30 HD22 LEU 4 2HD2 LEU 4 1.627 -3.436 -3.242
31 HD23 LEU 4 3HD2 LEU 4 3.125 -3.118 -4.121
32 H PHE 5 H PHE 5 4.436 -4.335 -0.290
33 HA PHE 5 HA PHE 5 4.839 -3.329 2.419
34 HB2 PHE 5 2HB PHE 5 6.250 -5.416 2.703
35 HB3 PHE 5 1HB PHE 5 4.545 -5.715 2.403
36 HD1 PHE 5 1HD PHE 5 3.817 -6.708 0.334
37 HD2 PHE 5 2HD PHE 5 7.923 -5.982 1.089
38 HE1 PHE 5 1HE PHE 5 4.412 -8.193 -1.544
39 HE2 PHE 5 2HE PHE 5 8.540 -7.457 -0.774
40 HZ PHE 5 HZ PHE 5 6.786 -8.564 -2.099
41 H SER 6 H SER 6 5.623 -2.196 -0.185
42 HA SER 6 HA SER 6 8.465 -2.137 -0.326
43 HB2 SER 6 2HB SER 6 6.410 -0.237 -1.443
44 HB3 SER 6 1HB SER 6 8.077 -0.421 -1.990
45 HG SER 6 HG SER 6 6.984 -2.810 -2.067
46 H ASN 7 H ASN 7 9.453 0.151 -0.310
47 HA ASN 7 HA ASN 7 8.474 1.794 1.901
48 HB2 ASN 7 2HB ASN 7 10.442 0.459 2.663
49 HB3 ASN 7 1HB ASN 7 11.353 1.067 1.290
50 HD21 ASN 7 1HD2 ASN 7 12.909 1.924 2.686
51 HD22 ASN 7 2HD2 ASN 7 12.612 3.383 3.572
52 HA PRO 8 HA PRO 8 8.087 3.835 2.358
53 HB2 PRO 8 2HB PRO 8 6.289 5.618 1.422
54 HB3 PRO 8 1HB PRO 8 7.949 6.081 1.814
55 HG2 PRO 8 2HG PRO 8 6.761 5.414 -0.853
56 HG3 PRO 8 1HG PRO 8 7.795 6.785 -0.401
57 HD2 PRO 8 2HD PRO 8 8.792 4.606 -1.623
58 HD3 PRO 8 1HD PRO 8 9.719 5.496 -0.399
59 HA PRO 9 HA PRO 9 4.629 1.150 1.440
60 HB2 PRO 9 2HB PRO 9 3.277 1.370 3.781
61 HB3 PRO 9 1HB PRO 9 4.776 0.446 3.642
62 HG2 PRO 9 2HG PRO 9 4.340 3.195 4.720
63 HG3 PRO 9 1HG PRO 9 5.397 1.909 5.325
64 HD2 PRO 9 2HD PRO 9 6.272 4.033 3.830
65 HD3 PRO 9 1HD PRO 9 7.083 2.454 3.874
66 H ILE 10 H ILE 10 2.908 1.614 0.241
67 HA ILE 10 HA ILE 10 1.276 3.914 0.944
68 HB ILE 10 HB ILE 10 2.522 4.630 -0.986
69 HG12 ILE 10 2HG1 ILE 10 0.749 4.963 -2.716
70 HG13 ILE 10 1HG1 ILE 10 -0.255 3.797 -1.864
71 HG21 ILE 10 1HG2 ILE 10 1.718 2.087 -2.336
72 HG22 ILE 10 2HG2 ILE 10 3.335 2.541 -1.798
73 HG23 ILE 10 3HG2 ILE 10 2.563 3.425 -3.120
74 HD11 ILE 10 1HD1 ILE 10 0.718 6.423 -0.757
75 HD12 ILE 10 2HD1 ILE 10 -0.322 5.268 0.079
76 HD13 ILE 10 3HD1 ILE 10 -0.902 6.091 -1.367
77 H ALA 11 H PRG 11 -0.671 3.359 1.416
78 HA ALA 11 HA PRG 11 -1.772 0.845 0.365
79 HB1 ALA 11 1HB PRG 11 -2.811 0.450 2.499
80 HB2 ALA 11 2HB PRG 11 -2.110 1.872 3.196
81 H PHE 12 H PHE 12 -3.976 0.759 0.232
82 HA PHE 12 HA PHE 12 -5.378 3.318 0.323
83 HB2 PHE 12 2HB PHE 12 -5.741 1.039 -1.656
84 HB3 PHE 12 1HB PHE 12 -6.796 2.437 -1.555
85 HD1 PHE 12 1HD PHE 12 -3.383 1.319 -2.434
86 HD2 PHE 12 2HD PHE 12 -6.183 4.522 -2.513
87 HE1 PHE 12 1HE PHE 12 -1.924 2.559 -3.988
88 HE2 PHE 12 2HE PHE 12 -4.721 5.757 -4.065
89 HZ PHE 12 HZ PHE 12 -2.597 4.778 -4.796
90 HA PRO 13 HA PRO 13 -7.897 1.549 3.488
91 HB2 PRO 13 2HB PRO 13 -10.184 2.794 2.043
92 HB3 PRO 13 1HB PRO 13 -9.724 2.922 3.746
93 HG2 PRO 13 2HG PRO 13 -9.205 4.922 2.115
94 HG3 PRO 13 1HG PRO 13 -7.987 4.407 3.296
95 HD2 PRO 13 2HD PRO 13 -8.109 3.885 0.352
96 HD3 PRO 13 1HD PRO 13 -6.719 4.287 1.388
97 H ASN 14 H ASN 14 -8.607 0.754 0.217
98 HA ASN 14 HA ASN 14 -10.761 -1.076 0.785
99 HB2 ASN 14 2HB ASN 14 -10.680 -1.698 -1.524
100 HB3 ASN 14 1HB ASN 14 -10.407 0.038 -1.457
101 HD21 ASN 14 1HD2 ASN 14 -9.065 -3.032 -2.217
102 HD22 ASN 14 2HD2 ASN 14 -7.629 -2.473 -2.973
103 H1 WMH 101 1HG AZH 3 -2.242 -2.170 3.285
104 H2 WMH 101 2HG AZH 3 -2.314 -1.289 1.812
105 H5 WMH 101 HD PRG 11 0.689 1.851 3.415
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -7.595 -1.009 0.741
2 HA2 GLY 1 2HA GLY 1 -7.316 -2.951 2.180
3 HA3 GLY 1 1HA GLY 1 -8.190 -3.887 0.974
4 H LYS 2 H LYS 2 -6.129 -1.772 -0.551
5 HA LYS 2 HA LYS 2 -4.281 -3.941 -1.050
6 HB2 LYS 2 2HB LYS 2 -4.752 -1.330 -2.457
7 HB3 LYS 2 1HB LYS 2 -3.399 -2.363 -2.863
8 HG2 LYS 2 2HG LYS 2 -6.311 -3.110 -3.031
9 HG3 LYS 2 1HG LYS 2 -5.269 -2.677 -4.384
10 HD2 LYS 2 2HD LYS 2 -4.863 -5.068 -2.561
11 HD3 LYS 2 1HD LYS 2 -5.580 -5.114 -4.159
12 HE2 LYS 2 2HE LYS 2 -2.762 -4.196 -3.563
13 HE3 LYS 2 1HE LYS 2 -3.209 -5.790 -4.150
14 HZ1 LYS 2 1HZ LYS 2 -3.712 -3.246 -5.625
15 HZ2 LYS 2 2HZ LYS 2 -4.041 -4.793 -6.185
16 HZ3 LYS 2 3HZ LYS 2 -2.458 -4.322 -5.921
17 H ALA 3 H AZH 3 -2.337 -4.057 -0.332
18 HA ALA 3 HA AZH 3 -1.075 -1.697 0.805
19 HB1 ALA 3 1HB AZH 3 -0.187 -3.569 2.500
20 HB2 ALA 3 2HB AZH 3 -1.763 -4.262 2.127
21 H LEU 4 H LEU 4 0.986 -1.481 0.277
22 HA LEU 4 HA LEU 4 2.220 -3.775 -0.995
23 HB2 LEU 4 2HB LEU 4 3.521 -2.183 -2.407
24 HB3 LEU 4 1HB LEU 4 1.809 -2.179 -2.733
25 HG LEU 4 HG LEU 4 1.763 -0.043 -1.248
26 HD11 LEU 4 1HD1 LEU 4 4.687 -0.083 -1.964
27 HD12 LEU 4 2HD1 LEU 4 4.007 -0.197 -0.341
28 HD13 LEU 4 3HD1 LEU 4 3.808 1.284 -1.279
29 HD21 LEU 4 1HD2 LEU 4 1.322 -0.056 -3.637
30 HD22 LEU 4 2HD2 LEU 4 3.052 -0.025 -3.970
31 HD23 LEU 4 3HD2 LEU 4 2.283 1.354 -3.187
32 H PHE 5 H PHE 5 4.187 -4.360 -0.370
33 HA PHE 5 HA PHE 5 5.213 -2.839 1.869
34 HB2 PHE 5 2HB PHE 5 5.399 -5.818 1.383
35 HB3 PHE 5 1HB PHE 5 6.223 -4.968 2.692
36 HD1 PHE 5 1HD PHE 5 3.191 -6.550 1.682
37 HD2 PHE 5 2HD PHE 5 4.784 -3.594 4.293
38 HE1 PHE 5 1HE PHE 5 1.155 -6.654 3.042
39 HE2 PHE 5 2HE PHE 5 2.759 -3.705 5.668
40 HZ PHE 5 HZ PHE 5 0.933 -5.229 5.039
41 H SER 6 H SER 6 6.328 -1.529 0.812
42 HA SER 6 HA SER 6 8.966 -2.224 0.031
43 HB2 SER 6 2HB SER 6 7.056 -0.906 -1.962
44 HB3 SER 6 1HB SER 6 8.784 -1.147 -2.212
45 HG SER 6 HG SER 6 7.638 -3.459 -1.546
46 H ASN 7 H ASN 7 9.539 0.384 -0.990
47 HA ASN 7 HA ASN 7 8.366 2.094 1.054
48 HB2 ASN 7 2HB ASN 7 10.598 1.514 1.833
49 HB3 ASN 7 1HB ASN 7 11.292 1.968 0.279
50 HD21 ASN 7 1HD2 ASN 7 11.688 4.095 -0.147
51 HD22 ASN 7 2HD2 ASN 7 11.474 5.353 1.023
52 HA PRO 8 HA PRO 8 8.072 4.165 1.554
53 HB2 PRO 8 2HB PRO 8 5.840 5.732 0.507
54 HB3 PRO 8 1HB PRO 8 7.218 6.277 1.464
55 HG2 PRO 8 2HG PRO 8 6.918 6.958 -1.133
56 HG3 PRO 8 1HG PRO 8 8.513 6.700 -0.404
57 HD2 PRO 8 2HD PRO 8 6.875 4.824 -2.079
58 HD3 PRO 8 1HD PRO 8 8.604 5.218 -2.207
59 HA PRO 9 HA PRO 9 4.834 1.075 1.618
60 HB2 PRO 9 2HB PRO 9 4.444 1.000 4.312
61 HB3 PRO 9 1HB PRO 9 5.799 0.201 3.510
62 HG2 PRO 9 2HG PRO 9 5.729 2.767 5.019
63 HG3 PRO 9 1HG PRO 9 7.010 1.550 4.944
64 HD2 PRO 9 2HD PRO 9 7.043 3.920 3.548
65 HD3 PRO 9 1HD PRO 9 7.926 2.462 3.059
66 H ILE 10 H ILE 10 2.869 1.632 0.977
67 HA ILE 10 HA ILE 10 1.315 3.418 2.652
68 HB ILE 10 HB ILE 10 2.106 4.811 0.820
69 HG12 ILE 10 2HG1 ILE 10 -0.792 4.045 0.360
70 HG13 ILE 10 1HG1 ILE 10 -0.217 5.167 1.583
71 HG21 ILE 10 1HG2 ILE 10 2.690 3.141 -0.806
72 HG22 ILE 10 2HG2 ILE 10 1.603 4.323 -1.536
73 HG23 ILE 10 3HG2 ILE 10 0.990 2.740 -1.057
74 HD11 ILE 10 1HD1 ILE 10 -0.013 5.540 -1.402
75 HD12 ILE 10 2HD1 ILE 10 0.562 6.677 -0.181
76 HD13 ILE 10 3HD1 ILE 10 -1.162 6.337 -0.326
77 H ALA 11 H PRG 11 -0.784 2.826 2.886
78 HA ALA 11 HA PRG 11 -1.614 0.466 1.402
79 HB1 ALA 11 1HB PRG 11 -3.029 -0.113 3.311
80 HB2 ALA 11 2HB PRG 11 -2.438 1.232 4.235
81 H PHE 12 H PHE 12 -3.707 0.404 0.750
82 HA PHE 12 HA PHE 12 -4.822 3.067 0.395
83 HB2 PHE 12 2HB PHE 12 -5.062 0.644 -1.405
84 HB3 PHE 12 1HB PHE 12 -5.729 2.240 -1.728
85 HD1 PHE 12 1HD PHE 12 -2.679 0.214 -1.630
86 HD2 PHE 12 2HD PHE 12 -4.283 4.082 -2.404
87 HE1 PHE 12 1HE PHE 12 -0.576 0.860 -2.722
88 HE2 PHE 12 2HE PHE 12 -2.178 4.733 -3.497
89 HZ PHE 12 HZ PHE 12 -0.322 3.126 -3.656
90 HA PRO 13 HA PRO 13 -8.335 1.858 2.806
91 HB2 PRO 13 2HB PRO 13 -9.988 3.412 0.898
92 HB3 PRO 13 1HB PRO 13 -9.816 3.592 2.646
93 HG2 PRO 13 2HG PRO 13 -8.670 5.338 1.011
94 HG3 PRO 13 1HG PRO 13 -7.828 4.775 2.466
95 HD2 PRO 13 2HD PRO 13 -7.432 3.953 -0.384
96 HD3 PRO 13 1HD PRO 13 -6.233 4.294 0.884
97 H ASN 14 H ASN 14 -8.157 0.954 -0.469
98 HA ASN 14 HA ASN 14 -10.670 -0.481 -0.471
99 HB2 ASN 14 2HB ASN 14 -10.042 -1.298 -2.683
100 HB3 ASN 14 1HB ASN 14 -9.806 0.438 -2.598
101 HD21 ASN 14 1HD2 ASN 14 -8.638 -1.490 -4.421
102 HD22 ASN 14 2HD2 ASN 14 -6.946 -1.349 -4.257
103 H1 WMH 101 1HG AZH 3 -2.537 -2.812 3.843
104 H2 WMH 101 2HG AZH 3 -2.413 -1.742 2.513
105 H5 WMH 101 HD PRG 11 0.279 1.152 4.907
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -7.572 -1.183 1.018
2 HA2 GLY 1 2HA GLY 1 -7.114 -3.113 2.328
3 HA3 GLY 1 1HA GLY 1 -8.007 -4.073 1.163
4 H LYS 2 H LYS 2 -6.030 -1.904 -0.432
5 HA LYS 2 HA LYS 2 -4.141 -4.052 -0.988
6 HB2 LYS 2 2HB LYS 2 -5.230 -2.981 -2.916
7 HB3 LYS 2 1HB LYS 2 -4.607 -1.422 -2.410
8 HG2 LYS 2 2HG LYS 2 -2.320 -2.242 -2.759
9 HG3 LYS 2 1HG LYS 2 -2.982 -3.782 -3.311
10 HD2 LYS 2 2HD LYS 2 -4.135 -2.635 -5.137
11 HD3 LYS 2 1HD LYS 2 -3.489 -1.097 -4.566
12 HE2 LYS 2 2HE LYS 2 -2.193 -1.957 -6.449
13 HE3 LYS 2 1HE LYS 2 -1.221 -1.866 -4.983
14 HZ1 LYS 2 1HZ LYS 2 -0.866 -3.914 -6.219
15 HZ2 LYS 2 2HZ LYS 2 -2.485 -4.358 -6.015
16 HZ3 LYS 2 3HZ LYS 2 -1.470 -4.246 -4.699
17 H ALA 3 H AZH 3 -2.151 -3.987 -0.199
18 HA ALA 3 HA AZH 3 -1.132 -1.441 0.800
19 HB1 ALA 3 1HB AZH 3 0.026 -3.110 2.542
20 HB2 ALA 3 2HB AZH 3 -1.448 -4.020 2.235
21 H LEU 4 H LEU 4 0.865 -0.933 0.261
22 HA LEU 4 HA LEU 4 2.311 -2.897 -1.335
23 HB2 LEU 4 2HB LEU 4 2.660 0.091 -1.095
24 HB3 LEU 4 1HB LEU 4 3.680 -0.954 -2.057
25 HG LEU 4 HG LEU 4 0.749 -0.479 -2.503
26 HD11 LEU 4 1HD1 LEU 4 1.486 0.754 -4.500
27 HD12 LEU 4 2HD1 LEU 4 3.164 0.527 -4.003
28 HD13 LEU 4 3HD1 LEU 4 2.075 1.497 -3.012
29 HD21 LEU 4 1HD2 LEU 4 1.424 -2.697 -3.247
30 HD22 LEU 4 2HD2 LEU 4 2.769 -2.000 -4.148
31 HD23 LEU 4 3HD2 LEU 4 1.109 -1.656 -4.634
32 H PHE 5 H PHE 5 3.477 -4.084 -0.006
33 HA PHE 5 HA PHE 5 4.924 -2.805 2.118
34 HB2 PHE 5 2HB PHE 5 4.838 -5.710 1.238
35 HB3 PHE 5 1HB PHE 5 5.754 -5.125 2.625
36 HD1 PHE 5 1HD PHE 5 2.584 -6.316 1.498
37 HD2 PHE 5 2HD PHE 5 4.466 -3.900 4.440
38 HE1 PHE 5 1HE PHE 5 0.581 -6.480 2.909
39 HE2 PHE 5 2HE PHE 5 2.469 -4.066 5.865
40 HZ PHE 5 HZ PHE 5 0.526 -5.350 5.102
41 H SER 6 H SER 6 5.919 -1.439 0.756
42 HA SER 6 HA SER 6 8.433 -2.323 -0.317
43 HB2 SER 6 2HB SER 6 6.279 -0.897 -1.927
44 HB3 SER 6 1HB SER 6 7.959 -1.058 -2.462
45 HG SER 6 HG SER 6 7.404 -3.406 -1.922
46 H ASN 7 H ASN 7 9.366 0.045 -1.209
47 HA ASN 7 HA ASN 7 8.673 1.867 0.947
48 HB2 ASN 7 2HB ASN 7 10.860 2.979 0.604
49 HB3 ASN 7 1HB ASN 7 11.054 1.275 0.976
50 HD21 ASN 7 1HD2 ASN 7 11.935 -0.072 -0.595
51 HD22 ASN 7 2HD2 ASN 7 12.666 0.535 -2.029
52 HA PRO 8 HA PRO 8 8.257 3.662 1.562
53 HB2 PRO 8 2HB PRO 8 6.051 5.474 1.342
54 HB3 PRO 8 1HB PRO 8 7.732 5.871 1.701
55 HG2 PRO 8 2HG PRO 8 6.411 6.618 -0.606
56 HG3 PRO 8 1HG PRO 8 8.170 6.490 -0.446
57 HD2 PRO 8 2HD PRO 8 6.225 4.528 -1.601
58 HD3 PRO 8 1HD PRO 8 7.831 4.996 -2.198
59 HA PRO 9 HA PRO 9 4.874 0.817 2.192
60 HB2 PRO 9 2HB PRO 9 4.469 1.287 4.893
61 HB3 PRO 9 1HB PRO 9 5.682 0.184 4.238
62 HG2 PRO 9 2HG PRO 9 5.996 2.964 5.257
63 HG3 PRO 9 1HG PRO 9 7.107 1.596 5.373
64 HD2 PRO 9 2HD PRO 9 7.462 3.623 3.615
65 HD3 PRO 9 1HD PRO 9 7.987 1.961 3.287
66 H ILE 10 H ILE 10 3.112 1.535 1.197
67 HA ILE 10 HA ILE 10 1.461 3.508 2.575
68 HB ILE 10 HB ILE 10 2.590 4.640 0.706
69 HG12 ILE 10 2HG1 ILE 10 0.588 5.456 -0.565
70 HG13 ILE 10 1HG1 ILE 10 -0.353 4.177 0.194
71 HG21 ILE 10 1HG2 ILE 10 2.183 4.032 -1.632
72 HG22 ILE 10 2HG2 ILE 10 1.344 2.579 -1.088
73 HG23 ILE 10 3HG2 ILE 10 3.060 2.785 -0.744
74 HD11 ILE 10 1HD1 ILE 10 1.044 6.425 1.628
75 HD12 ILE 10 2HD1 ILE 10 0.078 5.156 2.383
76 HD13 ILE 10 3HD1 ILE 10 -0.683 6.315 1.297
77 H ALA 11 H PRG 11 -0.704 3.059 2.599
78 HA ALA 11 HA PRG 11 -1.504 0.592 1.254
79 HB1 ALA 11 1HB PRG 11 -3.014 0.128 3.094
80 HB2 ALA 11 2HB PRG 11 -2.535 1.537 3.970
81 H PHE 12 H PHE 12 -3.674 0.475 0.644
82 HA PHE 12 HA PHE 12 -4.868 3.078 0.035
83 HB2 PHE 12 2HB PHE 12 -5.064 0.452 -1.474
84 HB3 PHE 12 1HB PHE 12 -5.887 1.934 -1.915
85 HD1 PHE 12 1HD PHE 12 -2.654 0.206 -1.793
86 HD2 PHE 12 2HD PHE 12 -4.729 3.695 -3.056
87 HE1 PHE 12 1HE PHE 12 -0.750 0.813 -3.239
88 HE2 PHE 12 2HE PHE 12 -2.837 4.307 -4.493
89 HZ PHE 12 HZ PHE 12 -0.841 2.866 -4.588
90 HA PRO 13 HA PRO 13 -8.210 1.800 2.671
91 HB2 PRO 13 2HB PRO 13 -10.254 3.217 1.577
92 HB3 PRO 13 1HB PRO 13 -8.970 3.958 2.540
93 HG2 PRO 13 2HG PRO 13 -9.211 3.751 -0.441
94 HG3 PRO 13 1HG PRO 13 -8.811 5.172 0.537
95 HD2 PRO 13 2HD PRO 13 -6.904 3.776 -0.682
96 HD3 PRO 13 1HD PRO 13 -6.644 4.428 0.948
97 H ASN 14 H ASN 14 -7.887 0.522 -0.279
98 HA ASN 14 HA ASN 14 -10.527 -0.758 -0.332
99 HB2 ASN 14 2HB ASN 14 -10.018 -1.524 -2.557
100 HB3 ASN 14 1HB ASN 14 -9.670 0.196 -2.494
101 HD21 ASN 14 1HD2 ASN 14 -8.686 -1.929 -4.227
102 HD22 ASN 14 2HD2 ASN 14 -6.967 -1.856 -4.138
103 H1 WMH 101 1HG AZH 3 -2.449 -2.574 3.858
104 H2 WMH 101 2HG AZH 3 -2.348 -1.521 2.524
105 H5 WMH 101 HD PRG 11 0.090 1.584 4.888
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.544 -1.258 0.739
2 HA2 GLY 1 2HA GLY 1 -6.898 -3.321 1.771
3 HA3 GLY 1 1HA GLY 1 -7.884 -4.166 0.583
4 H LYS 2 H LYS 2 -5.466 -1.635 0.172
5 HA LYS 2 HA LYS 2 -3.789 -3.551 -1.255
6 HB2 LYS 2 2HB LYS 2 -4.554 -0.795 -2.240
7 HB3 LYS 2 1HB LYS 2 -3.205 -1.697 -2.882
8 HG2 LYS 2 2HG LYS 2 -6.095 -2.531 -2.973
9 HG3 LYS 2 1HG LYS 2 -5.162 -1.860 -4.309
10 HD2 LYS 2 2HD LYS 2 -3.658 -3.788 -4.233
11 HD3 LYS 2 1HD LYS 2 -4.571 -4.445 -2.874
12 HE2 LYS 2 2HE LYS 2 -5.249 -5.555 -4.894
13 HE3 LYS 2 1HE LYS 2 -6.571 -4.553 -4.302
14 HZ1 LYS 2 1HZ LYS 2 -5.978 -2.877 -5.958
15 HZ2 LYS 2 2HZ LYS 2 -6.296 -4.350 -6.700
16 HZ3 LYS 2 3HZ LYS 2 -4.707 -3.834 -6.496
17 H ALA 3 H AZH 3 -1.881 -3.601 -0.411
18 HA ALA 3 HA AZH 3 -0.797 -1.178 0.770
19 HB1 ALA 3 1HB AZH 3 0.272 -2.999 2.422
20 HB2 ALA 3 2HB AZH 3 -1.270 -3.777 2.075
21 H LEU 4 H LEU 4 1.156 -0.677 0.294
22 HA LEU 4 HA LEU 4 2.687 -2.516 -1.332
23 HB2 LEU 4 2HB LEU 4 2.518 -0.142 -2.013
24 HB3 LEU 4 1HB LEU 4 3.271 0.330 -0.502
25 HG LEU 4 HG LEU 4 5.372 -0.726 -1.194
26 HD11 LEU 4 1HD1 LEU 4 5.642 -1.596 -3.449
27 HD12 LEU 4 2HD1 LEU 4 3.920 -1.364 -3.752
28 HD13 LEU 4 3HD1 LEU 4 4.457 -2.529 -2.541
29 HD21 LEU 4 1HD2 LEU 4 5.951 0.774 -3.029
30 HD22 LEU 4 2HD2 LEU 4 4.996 1.604 -1.801
31 HD23 LEU 4 3HD2 LEU 4 4.241 1.095 -3.313
32 H PHE 5 H PHE 5 3.967 -3.853 -0.407
33 HA PHE 5 HA PHE 5 4.768 -3.498 2.368
34 HB2 PHE 5 2HB PHE 5 5.056 -5.896 0.533
35 HB3 PHE 5 1HB PHE 5 5.390 -5.873 2.259
36 HD1 PHE 5 1HD PHE 5 2.931 -6.443 -0.241
37 HD2 PHE 5 2HD PHE 5 3.431 -5.290 3.823
38 HE1 PHE 5 1HE PHE 5 0.592 -7.033 0.211
39 HE2 PHE 5 2HE PHE 5 1.095 -5.883 4.283
40 HZ PHE 5 HZ PHE 5 -0.334 -6.758 2.478
41 H SER 6 H SER 6 5.940 -1.897 0.388
42 HA SER 6 HA SER 6 8.741 -2.558 0.710
43 HB2 SER 6 2HB SER 6 7.499 -1.656 -1.913
44 HB3 SER 6 1HB SER 6 9.196 -2.048 -1.631
45 HG SER 6 HG SER 6 7.931 -4.126 -0.828
46 H ASN 7 H ASN 7 9.896 -0.335 -0.192
47 HA ASN 7 HA ASN 7 8.488 1.792 1.162
48 HB2 ASN 7 2HB ASN 7 11.308 1.583 0.107
49 HB3 ASN 7 1HB ASN 7 10.646 3.094 0.720
50 HD21 ASN 7 1HD2 ASN 7 10.292 3.311 2.920
51 HD22 ASN 7 2HD2 ASN 7 10.926 2.181 4.058
52 HA PRO 8 HA PRO 8 7.952 3.614 1.301
53 HB2 PRO 8 2HB PRO 8 6.114 5.500 0.766
54 HB3 PRO 8 1HB PRO 8 7.843 5.791 0.572
55 HG2 PRO 8 2HG PRO 8 5.762 5.410 -1.484
56 HG3 PRO 8 1HG PRO 8 7.316 6.244 -1.600
57 HD2 PRO 8 2HD PRO 8 6.671 3.597 -2.487
58 HD3 PRO 8 1HD PRO 8 8.243 4.411 -2.554
59 HA PRO 9 HA PRO 9 4.408 0.929 1.743
60 HB2 PRO 9 2HB PRO 9 3.885 1.389 4.378
61 HB3 PRO 9 1HB PRO 9 5.191 0.340 3.820
62 HG2 PRO 9 2HG PRO 9 5.304 3.191 4.722
63 HG3 PRO 9 1HG PRO 9 6.418 1.865 5.094
64 HD2 PRO 9 2HD PRO 9 6.966 3.731 3.241
65 HD3 PRO 9 1HD PRO 9 7.507 2.047 3.067
66 H ILE 10 H ILE 10 2.958 2.049 0.464
67 HA ILE 10 HA ILE 10 1.256 3.941 1.879
68 HB ILE 10 HB ILE 10 2.070 4.835 -0.248
69 HG12 ILE 10 2HG1 ILE 10 -0.852 4.046 -0.481
70 HG13 ILE 10 1HG1 ILE 10 -0.224 5.412 0.429
71 HG21 ILE 10 1HG2 ILE 10 1.541 3.798 -2.410
72 HG22 ILE 10 2HG2 ILE 10 0.883 2.397 -1.563
73 HG23 ILE 10 3HG2 ILE 10 2.595 2.789 -1.419
74 HD11 ILE 10 1HD1 ILE 10 0.525 6.454 -1.628
75 HD12 ILE 10 2HD1 ILE 10 -1.198 6.091 -1.693
76 HD13 ILE 10 3HD1 ILE 10 -0.046 5.065 -2.548
77 H ALA 11 H PRG 11 -0.784 3.393 2.370
78 HA ALA 11 HA PRG 11 -1.701 0.856 1.277
79 HB1 ALA 11 1HB PRG 11 -2.795 0.279 3.367
80 HB2 ALA 11 2HB PRG 11 -2.225 1.706 4.168
81 H PHE 12 H PHE 12 -3.698 0.660 0.744
82 HA PHE 12 HA PHE 12 -5.254 3.154 0.530
83 HB2 PHE 12 2HB PHE 12 -5.297 0.720 -1.265
84 HB3 PHE 12 1HB PHE 12 -6.232 2.182 -1.496
85 HD1 PHE 12 1HD PHE 12 -5.269 4.121 -2.487
86 HD2 PHE 12 2HD PHE 12 -2.852 0.729 -1.639
87 HE1 PHE 12 1HE PHE 12 -3.461 5.048 -3.882
88 HE2 PHE 12 2HE PHE 12 -1.057 1.658 -3.023
89 HZ PHE 12 HZ PHE 12 -1.363 3.816 -4.144
90 HA PRO 13 HA PRO 13 -8.162 1.196 3.211
91 HB2 PRO 13 2HB PRO 13 -10.438 2.497 2.388
92 HB3 PRO 13 1HB PRO 13 -9.234 3.172 3.491
93 HG2 PRO 13 2HG PRO 13 -9.558 3.612 0.555
94 HG3 PRO 13 1HG PRO 13 -9.181 4.784 1.826
95 HD2 PRO 13 2HD PRO 13 -7.277 3.821 0.218
96 HD3 PRO 13 1HD PRO 13 -6.957 4.147 1.935
97 H ASN 14 H ASN 14 -8.436 0.894 -0.194
98 HA ASN 14 HA ASN 14 -10.738 -0.843 -0.106
99 HB2 ASN 14 2HB ASN 14 -10.505 -1.187 -2.455
100 HB3 ASN 14 1HB ASN 14 -10.103 0.496 -2.170
101 HD21 ASN 14 1HD2 ASN 14 -7.932 1.158 -2.522
102 HD22 ASN 14 2HD2 ASN 14 -6.817 0.171 -3.381
103 H1 WMH 101 1HG AZH 3 -2.018 -2.360 3.856
104 H2 WMH 101 2HG AZH 3 -2.104 -1.332 2.484
105 H5 WMH 101 HD PRG 11 0.522 1.843 4.611
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -7.641 -1.104 0.850
2 HA2 GLY 1 2HA GLY 1 -6.924 -3.068 2.001
3 HA3 GLY 1 1HA GLY 1 -8.126 -3.987 1.099
4 H LYS 2 H LYS 2 -5.379 -1.869 0.420
5 HA LYS 2 HA LYS 2 -4.145 -3.963 -1.102
6 HB2 LYS 2 2HB LYS 2 -5.522 -2.735 -2.790
7 HB3 LYS 2 1HB LYS 2 -4.701 -1.249 -2.350
8 HG2 LYS 2 2HG LYS 2 -3.768 -2.131 -4.407
9 HG3 LYS 2 1HG LYS 2 -2.562 -2.222 -3.121
10 HD2 LYS 2 2HD LYS 2 -3.108 -4.604 -2.794
11 HD3 LYS 2 1HD LYS 2 -4.295 -4.503 -4.092
12 HE2 LYS 2 2HE LYS 2 -2.226 -5.502 -4.904
13 HE3 LYS 2 1HE LYS 2 -2.497 -3.943 -5.676
14 HZ1 LYS 2 1HZ LYS 2 -0.882 -2.957 -4.171
15 HZ2 LYS 2 2HZ LYS 2 -0.205 -4.220 -5.025
16 HZ3 LYS 2 3HZ LYS 2 -0.605 -4.456 -3.418
17 H ALA 3 H AZH 3 -2.345 -4.030 0.009
18 HA ALA 3 HA AZH 3 -1.033 -1.518 0.685
19 HB1 ALA 3 1HB AZH 3 0.094 -3.193 2.444
20 HB2 ALA 3 2HB AZH 3 -1.481 -3.962 2.266
21 H LEU 4 H LEU 4 0.904 -1.117 0.108
22 HA LEU 4 HA LEU 4 2.333 -3.209 -1.341
23 HB2 LEU 4 2HB LEU 4 2.631 -0.193 -1.482
24 HB3 LEU 4 1HB LEU 4 3.594 -1.340 -2.376
25 HG LEU 4 HG LEU 4 1.454 -2.023 -3.576
26 HD11 LEU 4 1HD1 LEU 4 -0.186 -1.149 -2.019
27 HD12 LEU 4 2HD1 LEU 4 -0.384 -0.397 -3.604
28 HD13 LEU 4 3HD1 LEU 4 0.396 0.489 -2.296
29 HD21 LEU 4 1HD2 LEU 4 1.525 -0.101 -5.083
30 HD22 LEU 4 2HD2 LEU 4 3.141 -0.621 -4.605
31 HD23 LEU 4 3HD2 LEU 4 2.421 0.812 -3.871
32 H PHE 5 H PHE 5 3.576 -4.140 0.175
33 HA PHE 5 HA PHE 5 4.840 -2.498 2.166
34 HB2 PHE 5 2HB PHE 5 4.036 -4.850 2.675
35 HB3 PHE 5 1HB PHE 5 5.322 -5.447 1.633
36 HD1 PHE 5 1HD PHE 5 7.626 -5.435 2.370
37 HD2 PHE 5 2HD PHE 5 4.554 -3.790 4.818
38 HE1 PHE 5 1HE PHE 5 9.179 -5.371 4.275
39 HE2 PHE 5 2HE PHE 5 6.099 -3.727 6.718
40 HZ PHE 5 HZ PHE 5 8.415 -4.519 6.454
41 H SER 6 H SER 6 6.131 -1.177 1.124
42 HA SER 6 HA SER 6 8.596 -2.217 0.117
43 HB2 SER 6 2HB SER 6 7.071 -2.124 -1.890
44 HB3 SER 6 1HB SER 6 6.812 -0.411 -1.570
45 HG SER 6 HG SER 6 9.152 -1.745 -2.387
46 H ASN 7 H ASN 7 9.544 0.230 -0.752
47 HA ASN 7 HA ASN 7 8.947 2.052 1.463
48 HB2 ASN 7 2HB ASN 7 11.228 1.232 1.706
49 HB3 ASN 7 1HB ASN 7 11.573 1.615 0.024
50 HD21 ASN 7 1HD2 ASN 7 13.293 2.923 0.603
51 HD22 ASN 7 2HD2 ASN 7 13.083 4.485 1.303
52 HA PRO 8 HA PRO 8 8.100 3.734 1.898
53 HB2 PRO 8 2HB PRO 8 5.810 5.255 1.062
54 HB3 PRO 8 1HB PRO 8 7.241 5.828 1.916
55 HG2 PRO 8 2HG PRO 8 6.579 6.540 -0.663
56 HG3 PRO 8 1HG PRO 8 8.218 6.596 -0.000
57 HD2 PRO 8 2HD PRO 8 6.943 4.525 -1.739
58 HD3 PRO 8 1HD PRO 8 8.597 5.172 -1.784
59 HA PRO 9 HA PRO 9 4.824 0.690 1.661
60 HB2 PRO 9 2HB PRO 9 3.867 0.826 4.216
61 HB3 PRO 9 1HB PRO 9 5.373 0.004 3.799
62 HG2 PRO 9 2HG PRO 9 4.954 2.691 5.011
63 HG3 PRO 9 1HG PRO 9 6.231 1.508 5.326
64 HD2 PRO 9 2HD PRO 9 6.545 3.747 3.751
65 HD3 PRO 9 1HD PRO 9 7.520 2.274 3.603
66 H ILE 10 H ILE 10 3.310 1.487 0.344
67 HA ILE 10 HA ILE 10 1.523 3.602 1.303
68 HB ILE 10 HB ILE 10 1.899 2.490 -1.503
69 HG12 ILE 10 2HG1 ILE 10 2.828 5.119 -0.315
70 HG13 ILE 10 1HG1 ILE 10 3.862 3.734 -0.635
71 HG21 ILE 10 1HG2 ILE 10 -0.363 3.378 -1.151
72 HG22 ILE 10 2HG2 ILE 10 0.561 4.416 -2.239
73 HG23 ILE 10 3HG2 ILE 10 0.320 4.894 -0.560
74 HD11 ILE 10 1HD1 ILE 10 3.402 3.957 -3.027
75 HD12 ILE 10 2HD1 ILE 10 4.092 5.433 -2.349
76 HD13 ILE 10 3HD1 ILE 10 2.364 5.342 -2.689
77 H ALA 11 H PRG 11 -0.591 3.148 1.760
78 HA ALA 11 HA PRG 11 -1.598 0.543 0.923
79 HB1 ALA 11 1HB PRG 11 -2.745 0.284 3.037
80 HB2 ALA 11 2HB PRG 11 -2.086 1.750 3.680
81 H PHE 12 H PHE 12 -3.728 0.474 0.507
82 HA PHE 12 HA PHE 12 -5.040 3.091 0.310
83 HB2 PHE 12 2HB PHE 12 -5.345 0.719 -1.553
84 HB3 PHE 12 1HB PHE 12 -6.255 2.217 -1.676
85 HD1 PHE 12 1HD PHE 12 -4.792 4.394 -1.865
86 HD2 PHE 12 2HD PHE 12 -3.420 0.478 -2.815
87 HE1 PHE 12 1HE PHE 12 -3.033 5.358 -3.284
88 HE2 PHE 12 2HE PHE 12 -1.658 1.438 -4.234
89 HZ PHE 12 HZ PHE 12 -1.458 3.880 -4.469
90 HA PRO 13 HA PRO 13 -8.080 1.747 3.220
91 HB2 PRO 13 2HB PRO 13 -10.054 3.029 1.404
92 HB3 PRO 13 1HB PRO 13 -9.796 3.267 3.135
93 HG2 PRO 13 2HG PRO 13 -8.939 5.080 1.425
94 HG3 PRO 13 1HG PRO 13 -7.944 4.607 2.811
95 HD2 PRO 13 2HD PRO 13 -7.661 3.858 -0.070
96 HD3 PRO 13 1HD PRO 13 -6.413 4.240 1.137
97 H ASN 14 H ASN 14 -8.630 1.046 -0.134
98 HA ASN 14 HA ASN 14 -10.916 -0.630 0.225
99 HB2 ASN 14 2HB ASN 14 -10.621 -1.257 -2.092
100 HB3 ASN 14 1HB ASN 14 -10.370 0.476 -1.919
101 HD21 ASN 14 1HD2 ASN 14 -8.924 -2.564 -2.724
102 HD22 ASN 14 2HD2 ASN 14 -7.431 -1.931 -3.277
103 H1 WMH 101 1HG AZH 3 -2.182 -2.329 3.880
104 H2 WMH 101 2HG AZH 3 -2.169 -1.434 2.431
105 H5 WMH 101 HD PRG 11 0.632 1.778 4.165
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -7.528 -1.037 1.071
2 HA2 GLY 1 2HA GLY 1 -6.996 -2.950 2.492
3 HA3 GLY 1 1HA GLY 1 -7.934 -3.938 1.387
4 H LYS 2 H LYS 2 -6.180 -1.735 -0.366
5 HA LYS 2 HA LYS 2 -4.308 -3.799 -1.162
6 HB2 LYS 2 2HB LYS 2 -5.458 -2.551 -2.927
7 HB3 LYS 2 1HB LYS 2 -4.822 -1.045 -2.302
8 HG2 LYS 2 2HG LYS 2 -3.608 -1.712 -4.281
9 HG3 LYS 2 1HG LYS 2 -2.549 -1.774 -2.873
10 HD2 LYS 2 2HD LYS 2 -2.856 -4.199 -2.749
11 HD3 LYS 2 1HD LYS 2 -3.927 -4.141 -4.152
12 HE2 LYS 2 2HE LYS 2 -2.099 -3.241 -5.499
13 HE3 LYS 2 1HE LYS 2 -1.028 -3.309 -4.102
14 HZ1 LYS 2 1HZ LYS 2 -0.688 -5.183 -5.552
15 HZ2 LYS 2 2HZ LYS 2 -2.291 -5.647 -5.453
16 HZ3 LYS 2 3HZ LYS 2 -1.300 -5.737 -4.098
17 H ALA 3 H AZH 3 -2.580 -3.990 -0.011
18 HA ALA 3 HA AZH 3 -1.052 -1.596 0.610
19 HB1 ALA 3 1HB AZH 3 -0.176 -3.249 2.541
20 HB2 ALA 3 2HB AZH 3 -1.832 -3.828 2.392
21 H LEU 4 H LEU 4 0.919 -1.557 -0.005
22 HA LEU 4 HA LEU 4 2.127 -4.040 -0.981
23 HB2 LEU 4 2HB LEU 4 1.524 -2.544 -2.829
24 HB3 LEU 4 1HB LEU 4 2.407 -1.238 -2.065
25 HG LEU 4 HG LEU 4 4.510 -2.510 -2.382
26 HD11 LEU 4 1HD1 LEU 4 2.768 -4.414 -3.932
27 HD12 LEU 4 2HD1 LEU 4 3.627 -4.763 -2.430
28 HD13 LEU 4 3HD1 LEU 4 4.530 -4.425 -3.906
29 HD21 LEU 4 1HD2 LEU 4 2.907 -2.013 -4.889
30 HD22 LEU 4 2HD2 LEU 4 4.663 -2.154 -4.803
31 HD23 LEU 4 3HD2 LEU 4 3.846 -0.815 -3.997
32 H PHE 5 H PHE 5 3.872 -4.540 0.108
33 HA PHE 5 HA PHE 5 4.955 -2.675 1.980
34 HB2 PHE 5 2HB PHE 5 4.706 -5.138 2.453
35 HB3 PHE 5 1HB PHE 5 6.014 -5.425 1.314
36 HD1 PHE 5 1HD PHE 5 8.288 -5.040 1.936
37 HD2 PHE 5 2HD PHE 5 5.123 -3.920 4.536
38 HE1 PHE 5 1HE PHE 5 9.905 -4.699 3.758
39 HE2 PHE 5 2HE PHE 5 6.734 -3.575 6.355
40 HZ PHE 5 HZ PHE 5 9.125 -3.969 5.964
41 H SER 6 H SER 6 5.797 -1.088 0.845
42 HA SER 6 HA SER 6 8.210 -1.624 -0.672
43 HB2 SER 6 2HB SER 6 7.549 0.571 -1.836
44 HB3 SER 6 1HB SER 6 6.555 -0.841 -2.209
45 HG SER 6 HG SER 6 5.928 1.477 -0.819
46 H ASN 7 H ASN 7 9.173 0.968 -0.713
47 HA ASN 7 HA ASN 7 8.963 2.019 1.947
48 HB2 ASN 7 2HB ASN 7 11.489 2.277 2.112
49 HB3 ASN 7 1HB ASN 7 10.904 0.632 2.259
50 HD21 ASN 7 1HD2 ASN 7 11.396 -0.855 0.608
51 HD22 ASN 7 2HD2 ASN 7 12.617 -0.534 -0.561
52 HA PRO 8 HA PRO 8 8.102 3.685 2.665
53 HB2 PRO 8 2HB PRO 8 6.084 5.473 1.568
54 HB3 PRO 8 1HB PRO 8 7.140 5.726 2.953
55 HG2 PRO 8 2HG PRO 8 7.376 7.130 0.648
56 HG3 PRO 8 1HG PRO 8 8.753 6.767 1.698
57 HD2 PRO 8 2HD PRO 8 7.878 5.400 -0.816
58 HD3 PRO 8 1HD PRO 8 9.515 5.859 -0.303
59 HA PRO 9 HA PRO 9 5.073 0.698 1.163
60 HB2 PRO 9 2HB PRO 9 3.657 1.249 3.706
61 HB3 PRO 9 1HB PRO 9 4.261 -0.284 3.074
62 HG2 PRO 9 2HG PRO 9 5.481 0.944 5.097
63 HG3 PRO 9 1HG PRO 9 6.405 0.086 3.852
64 HD2 PRO 9 2HD PRO 9 5.977 3.019 4.222
65 HD3 PRO 9 1HD PRO 9 7.428 2.131 3.713
66 H ILE 10 H ILE 10 3.071 0.749 0.218
67 HA ILE 10 HA ILE 10 1.593 3.250 0.514
68 HB ILE 10 HB ILE 10 2.728 3.257 -1.643
69 HG12 ILE 10 2HG1 ILE 10 -0.224 2.717 -2.034
70 HG13 ILE 10 1HG1 ILE 10 0.471 4.250 -1.522
71 HG21 ILE 10 1HG2 ILE 10 1.346 0.652 -2.216
72 HG22 ILE 10 2HG2 ILE 10 3.079 0.906 -1.990
73 HG23 ILE 10 3HG2 ILE 10 2.259 1.598 -3.391
74 HD11 ILE 10 1HD1 ILE 10 0.949 2.894 -4.167
75 HD12 ILE 10 2HD1 ILE 10 1.631 4.440 -3.658
76 HD13 ILE 10 3HD1 ILE 10 -0.112 4.272 -3.878
77 H ALA 11 H PRG 11 -0.463 3.069 1.089
78 HA ALA 11 HA PRG 11 -1.801 0.500 0.721
79 HB1 ALA 11 1HB PRG 11 -2.740 0.530 2.941
80 HB2 ALA 11 2HB PRG 11 -1.952 2.003 3.380
81 H PHE 12 H PHE 12 -3.940 0.562 0.537
82 HA PHE 12 HA PHE 12 -5.193 3.197 0.229
83 HB2 PHE 12 2HB PHE 12 -5.559 0.747 -1.516
84 HB3 PHE 12 1HB PHE 12 -6.565 2.181 -1.606
85 HD1 PHE 12 1HD PHE 12 -5.622 4.302 -2.406
86 HD2 PHE 12 2HD PHE 12 -3.391 0.687 -2.501
87 HE1 PHE 12 1HE PHE 12 -4.070 5.313 -4.010
88 HE2 PHE 12 2HE PHE 12 -1.826 1.694 -4.109
89 HZ PHE 12 HZ PHE 12 -2.166 4.015 -4.866
90 HA PRO 13 HA PRO 13 -8.211 1.881 3.238
91 HB2 PRO 13 2HB PRO 13 -10.116 3.199 1.355
92 HB3 PRO 13 1HB PRO 13 -9.952 3.398 3.104
93 HG2 PRO 13 2HG PRO 13 -8.977 5.252 1.527
94 HG3 PRO 13 1HG PRO 13 -8.012 4.685 2.900
95 HD2 PRO 13 2HD PRO 13 -7.714 4.027 -0.005
96 HD3 PRO 13 1HD PRO 13 -6.476 4.354 1.226
97 H ASN 14 H ASN 14 -8.585 1.028 -0.095
98 HA ASN 14 HA ASN 14 -10.803 -0.718 0.293
99 HB2 ASN 14 2HB ASN 14 -10.382 -1.560 -1.990
100 HB3 ASN 14 1HB ASN 14 -10.404 0.191 -1.945
101 HD21 ASN 14 1HD2 ASN 14 -9.256 0.368 -3.836
102 HD22 ASN 14 2HD2 ASN 14 -7.585 -0.011 -3.977
103 H1 WMH 101 1HG AZH 3 -2.228 -2.049 3.954
104 H2 WMH 101 2HG AZH 3 -2.322 -1.284 2.420
105 H5 WMH 101 HD PRG 11 0.782 1.910 3.702
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -7.442 -1.144 0.752
2 HA2 GLY 1 2HA GLY 1 -6.705 -3.187 1.747
3 HA3 GLY 1 1HA GLY 1 -7.571 -4.064 0.492
4 H LYS 2 H LYS 2 -5.823 -1.350 -0.599
5 HA LYS 2 HA LYS 2 -3.896 -3.160 -1.797
6 HB2 LYS 2 2HB LYS 2 -5.180 -1.385 -3.134
7 HB3 LYS 2 1HB LYS 2 -4.215 -0.187 -2.307
8 HG2 LYS 2 2HG LYS 2 -3.018 -2.359 -4.031
9 HG3 LYS 2 1HG LYS 2 -3.496 -0.783 -4.644
10 HD2 LYS 2 2HD LYS 2 -1.882 0.294 -3.179
11 HD3 LYS 2 1HD LYS 2 -1.436 -1.267 -2.484
12 HE2 LYS 2 2HE LYS 2 0.183 -0.536 -4.190
13 HE3 LYS 2 1HE LYS 2 -0.641 -2.014 -4.667
14 HZ1 LYS 2 1HZ LYS 2 -0.457 -0.457 -6.481
15 HZ2 LYS 2 2HZ LYS 2 -1.340 0.708 -5.644
16 HZ3 LYS 2 3HZ LYS 2 -2.066 -0.739 -6.104
17 H ALA 3 H AZH 3 -2.276 -3.611 -0.511
18 HA ALA 3 HA AZH 3 -0.803 -1.443 0.749
19 HB1 ALA 3 1HB AZH 3 -0.372 -3.371 2.553
20 HB2 ALA 3 2HB AZH 3 -2.000 -3.808 2.056
21 H LEU 4 H LEU 4 1.295 -1.521 0.506
22 HA LEU 4 HA LEU 4 2.482 -4.008 -0.403
23 HB2 LEU 4 2HB LEU 4 3.905 -2.832 -2.022
24 HB3 LEU 4 1HB LEU 4 2.223 -2.611 -2.415
25 HG LEU 4 HG LEU 4 3.972 -0.499 -1.111
26 HD11 LEU 4 1HD1 LEU 4 4.723 -1.020 -3.370
27 HD12 LEU 4 2HD1 LEU 4 3.955 0.566 -3.305
28 HD13 LEU 4 3HD1 LEU 4 3.078 -0.813 -3.974
29 HD21 LEU 4 1HD2 LEU 4 2.182 1.034 -1.784
30 HD22 LEU 4 2HD2 LEU 4 1.601 -0.171 -0.641
31 HD23 LEU 4 3HD2 LEU 4 1.225 -0.332 -2.355
32 H PHE 5 H PHE 5 4.619 -4.335 0.272
33 HA PHE 5 HA PHE 5 5.201 -2.749 2.638
34 HB2 PHE 5 2HB PHE 5 6.699 -4.604 3.326
35 HB3 PHE 5 1HB PHE 5 5.035 -5.110 3.104
36 HD1 PHE 5 1HD PHE 5 8.437 -5.279 1.767
37 HD2 PHE 5 2HD PHE 5 4.451 -6.690 1.416
38 HE1 PHE 5 1HE PHE 5 9.223 -7.095 0.298
39 HE2 PHE 5 2HE PHE 5 5.218 -8.512 -0.068
40 HZ PHE 5 HZ PHE 5 7.605 -8.714 -0.624
41 H SER 6 H SER 6 6.172 -2.904 -0.502
42 HA SER 6 HA SER 6 8.917 -2.317 -0.181
43 HB2 SER 6 2HB SER 6 8.620 -1.428 -2.530
44 HB3 SER 6 1HB SER 6 8.217 -3.132 -2.289
45 HG SER 6 HG SER 6 6.355 -1.013 -2.191
46 H ASN 7 H ASN 7 9.878 -0.452 0.222
47 HA ASN 7 HA ASN 7 8.444 1.725 1.309
48 HB2 ASN 7 2HB ASN 7 10.702 1.100 2.083
49 HB3 ASN 7 1HB ASN 7 11.364 1.484 0.506
50 HD21 ASN 7 1HD2 ASN 7 12.800 2.953 1.388
51 HD22 ASN 7 2HD2 ASN 7 12.315 4.485 2.008
52 HA PRO 8 HA PRO 8 7.932 3.623 1.497
53 HB2 PRO 8 2HB PRO 8 6.072 5.483 0.775
54 HB3 PRO 8 1HB PRO 8 7.775 5.822 1.060
55 HG2 PRO 8 2HG PRO 8 6.307 5.816 -1.453
56 HG3 PRO 8 1HG PRO 8 7.928 6.429 -1.114
57 HD2 PRO 8 2HD PRO 8 7.150 3.923 -2.362
58 HD3 PRO 8 1HD PRO 8 8.764 4.628 -2.205
59 HA PRO 9 HA PRO 9 4.328 0.953 1.162
60 HB2 PRO 9 2HB PRO 9 3.988 1.106 4.018
61 HB3 PRO 9 1HB PRO 9 4.620 -0.240 3.069
62 HG2 PRO 9 2HG PRO 9 6.118 1.271 4.804
63 HG3 PRO 9 1HG PRO 9 6.789 0.375 3.428
64 HD2 PRO 9 2HD PRO 9 6.166 3.286 3.687
65 HD3 PRO 9 1HD PRO 9 7.530 2.473 2.891
66 H ILE 10 H ILE 10 2.692 2.108 0.322
67 HA ILE 10 HA ILE 10 1.241 3.885 2.133
68 HB ILE 10 HB ILE 10 2.003 5.032 0.111
69 HG12 ILE 10 2HG1 ILE 10 -0.983 4.537 -0.021
70 HG13 ILE 10 1HG1 ILE 10 -0.186 5.685 1.046
71 HG21 ILE 10 1HG2 ILE 10 2.253 3.181 -1.400
72 HG22 ILE 10 2HG2 ILE 10 1.202 4.394 -2.134
73 HG23 ILE 10 3HG2 ILE 10 0.510 2.924 -1.439
74 HD11 ILE 10 1HD1 ILE 10 0.583 6.950 -0.902
75 HD12 ILE 10 2HD1 ILE 10 -1.172 6.796 -0.875
76 HD13 ILE 10 3HD1 ILE 10 -0.216 5.791 -1.964
77 H ALA 11 H PRG 11 -0.946 3.456 2.511
78 HA ALA 11 HA PRG 11 -1.857 0.978 1.287
79 HB1 ALA 11 1HB PRG 11 -3.005 0.387 3.365
80 HB2 ALA 11 2HB PRG 11 -2.282 1.741 4.193
81 H PHE 12 H PHE 12 -3.871 0.811 0.765
82 HA PHE 12 HA PHE 12 -5.396 3.291 0.851
83 HB2 PHE 12 2HB PHE 12 -5.392 1.133 -1.263
84 HB3 PHE 12 1HB PHE 12 -6.417 2.553 -1.271
85 HD1 PHE 12 1HD PHE 12 -2.964 1.349 -1.628
86 HD2 PHE 12 2HD PHE 12 -5.595 4.667 -1.949
87 HE1 PHE 12 1HE PHE 12 -1.242 2.582 -2.865
88 HE2 PHE 12 2HE PHE 12 -3.891 5.907 -3.169
89 HZ PHE 12 HZ PHE 12 -1.696 4.865 -3.640
90 HA PRO 13 HA PRO 13 -8.460 1.286 3.310
91 HB2 PRO 13 2HB PRO 13 -10.719 2.388 2.112
92 HB3 PRO 13 1HB PRO 13 -9.740 3.172 3.359
93 HG2 PRO 13 2HG PRO 13 -9.603 3.477 0.381
94 HG3 PRO 13 1HG PRO 13 -9.536 4.730 1.634
95 HD2 PRO 13 2HD PRO 13 -7.323 3.950 0.472
96 HD3 PRO 13 1HD PRO 13 -7.350 4.172 2.236
97 H ASN 14 H ASN 14 -8.472 0.916 -0.123
98 HA ASN 14 HA ASN 14 -10.642 -0.972 -0.222
99 HB2 ASN 14 2HB ASN 14 -10.165 -1.175 -2.598
100 HB3 ASN 14 1HB ASN 14 -10.125 0.522 -2.154
101 HD21 ASN 14 1HD2 ASN 14 -8.905 -0.754 -4.460
102 HD22 ASN 14 2HD2 ASN 14 -7.221 -0.425 -4.334
103 H1 WMH 101 1HG AZH 3 -2.453 -2.279 3.834
104 H2 WMH 101 2HG AZH 3 -2.475 -1.312 2.395
105 H5 WMH 101 HD PRG 11 0.488 1.668 4.430
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.394 -1.070 1.269
2 HA2 GLY 1 2HA GLY 1 -6.819 -3.081 2.568
3 HA3 GLY 1 1HA GLY 1 -7.682 -3.994 1.338
4 H LYS 2 H LYS 2 -6.480 -2.098 -0.720
5 HA LYS 2 HA LYS 2 -4.386 -3.820 -1.452
6 HB2 LYS 2 2HB LYS 2 -5.771 -2.491 -3.061
7 HB3 LYS 2 1HB LYS 2 -4.923 -1.047 -2.547
8 HG2 LYS 2 2HG LYS 2 -2.831 -1.953 -3.375
9 HG3 LYS 2 1HG LYS 2 -3.642 -3.449 -3.846
10 HD2 LYS 2 2HD LYS 2 -5.092 -2.087 -5.360
11 HD3 LYS 2 1HD LYS 2 -4.095 -0.686 -4.966
12 HE2 LYS 2 2HE LYS 2 -3.098 -3.245 -6.214
13 HE3 LYS 2 1HE LYS 2 -3.446 -1.759 -7.095
14 HZ1 LYS 2 1HZ LYS 2 -1.370 -2.064 -4.978
15 HZ2 LYS 2 2HZ LYS 2 -1.681 -0.663 -5.885
16 HZ3 LYS 2 3HZ LYS 2 -1.102 -2.033 -6.642
17 H ALA 3 H AZH 3 -2.442 -3.913 -0.735
18 HA ALA 3 HA AZH 3 -1.035 -1.536 0.166
19 HB1 ALA 3 1HB AZH 3 -0.180 -3.240 2.045
20 HB2 ALA 3 2HB AZH 3 -1.819 -3.841 1.843
21 H LEU 4 H LEU 4 1.037 -1.486 -0.344
22 HA LEU 4 HA LEU 4 2.286 -4.033 -0.989
23 HB2 LEU 4 2HB LEU 4 1.958 -2.731 -3.058
24 HB3 LEU 4 1HB LEU 4 2.773 -1.364 -2.320
25 HG LEU 4 HG LEU 4 4.842 -2.740 -2.171
26 HD11 LEU 4 1HD1 LEU 4 3.274 -4.711 -3.816
27 HD12 LEU 4 2HD1 LEU 4 3.889 -4.953 -2.178
28 HD13 LEU 4 3HD1 LEU 4 5.011 -4.771 -3.523
29 HD21 LEU 4 1HD2 LEU 4 5.387 -2.618 -4.562
30 HD22 LEU 4 2HD2 LEU 4 4.558 -1.172 -3.990
31 HD23 LEU 4 3HD2 LEU 4 3.678 -2.384 -4.925
32 H PHE 5 H PHE 5 3.776 -4.407 0.420
33 HA PHE 5 HA PHE 5 4.629 -2.234 2.083
34 HB2 PHE 5 2HB PHE 5 5.102 -5.191 2.352
35 HB3 PHE 5 1HB PHE 5 5.840 -4.000 3.421
36 HD1 PHE 5 1HD PHE 5 2.733 -5.646 2.455
37 HD2 PHE 5 2HD PHE 5 4.498 -2.721 4.981
38 HE1 PHE 5 1HE PHE 5 0.694 -5.606 3.828
39 HE2 PHE 5 2HE PHE 5 2.466 -2.677 6.356
40 HZ PHE 5 HZ PHE 5 0.561 -4.120 5.780
41 H SER 6 H SER 6 5.612 -1.161 0.485
42 HA SER 6 HA SER 6 8.306 -1.983 -0.160
43 HB2 SER 6 2HB SER 6 7.972 0.029 -1.736
44 HB3 SER 6 1HB SER 6 7.025 -1.422 -2.077
45 HG SER 6 HG SER 6 6.031 0.873 -1.865
46 H ASN 7 H ASN 7 9.206 0.713 -0.480
47 HA ASN 7 HA ASN 7 8.685 1.981 2.037
48 HB2 ASN 7 2HB ASN 7 11.178 2.357 2.424
49 HB3 ASN 7 1HB ASN 7 10.607 0.721 2.694
50 HD21 ASN 7 1HD2 ASN 7 12.595 2.773 0.744
51 HD22 ASN 7 2HD2 ASN 7 13.382 1.520 -0.145
52 HA PRO 8 HA PRO 8 7.915 3.652 2.665
53 HB2 PRO 8 2HB PRO 8 6.003 5.461 2.062
54 HB3 PRO 8 1HB PRO 8 7.608 5.951 2.618
55 HG2 PRO 8 2HG PRO 8 6.532 5.832 -0.174
56 HG3 PRO 8 1HG PRO 8 7.477 7.115 0.601
57 HD2 PRO 8 2HD PRO 8 8.595 5.283 -1.048
58 HD3 PRO 8 1HD PRO 8 9.467 5.992 0.325
59 HA PRO 9 HA PRO 9 4.946 0.780 0.984
60 HB2 PRO 9 2HB PRO 9 3.408 0.394 3.199
61 HB3 PRO 9 1HB PRO 9 5.019 -0.307 3.018
62 HG2 PRO 9 2HG PRO 9 4.174 2.131 4.519
63 HG3 PRO 9 1HG PRO 9 5.334 0.872 4.987
64 HD2 PRO 9 2HD PRO 9 6.077 3.292 4.001
65 HD3 PRO 9 1HD PRO 9 7.032 1.817 3.757
66 H ILE 10 H ILE 10 3.184 1.078 -0.179
67 HA ILE 10 HA ILE 10 1.532 3.370 0.505
68 HB ILE 10 HB ILE 10 0.915 3.705 -1.803
69 HG12 ILE 10 2HG1 ILE 10 1.097 1.325 -2.619
70 HG13 ILE 10 1HG1 ILE 10 1.813 2.503 -3.700
71 HG21 ILE 10 1HG2 ILE 10 3.062 4.439 -2.693
72 HG22 ILE 10 2HG2 ILE 10 3.858 3.475 -1.439
73 HG23 ILE 10 3HG2 ILE 10 2.842 4.849 -0.981
74 HD11 ILE 10 1HD1 ILE 10 3.287 0.656 -1.825
75 HD12 ILE 10 2HD1 ILE 10 4.036 1.868 -2.859
76 HD13 ILE 10 3HD1 ILE 10 3.166 0.515 -3.579
77 H ALA 11 H PRG 11 -0.467 3.113 1.022
78 HA ALA 11 HA PRG 11 -1.714 0.564 0.352
79 HB1 ALA 11 1HB PRG 11 -2.767 0.477 2.516
80 HB2 ALA 11 2HB PRG 11 -2.006 1.928 3.062
81 H PHE 12 H PHE 12 -3.935 0.585 0.442
82 HA PHE 12 HA PHE 12 -5.242 3.169 0.093
83 HB2 PHE 12 2HB PHE 12 -5.733 0.581 -1.430
84 HB3 PHE 12 1HB PHE 12 -6.697 2.040 -1.589
85 HD1 PHE 12 1HD PHE 12 -3.440 0.493 -2.331
86 HD2 PHE 12 2HD PHE 12 -5.931 3.892 -2.892
87 HE1 PHE 12 1HE PHE 12 -1.955 1.282 -4.127
88 HE2 PHE 12 2HE PHE 12 -4.451 4.685 -4.682
89 HZ PHE 12 HZ PHE 12 -2.459 3.378 -5.302
90 HA PRO 13 HA PRO 13 -7.660 1.653 3.474
91 HB2 PRO 13 2HB PRO 13 -10.038 2.921 2.985
92 HB3 PRO 13 1HB PRO 13 -8.625 3.717 3.687
93 HG2 PRO 13 2HG PRO 13 -9.580 3.697 0.858
94 HG3 PRO 13 1HG PRO 13 -8.959 5.058 1.810
95 HD2 PRO 13 2HD PRO 13 -7.437 3.794 -0.001
96 HD3 PRO 13 1HD PRO 13 -6.752 4.401 1.522
97 H ASN 14 H ASN 14 -8.425 0.915 0.285
98 HA ASN 14 HA ASN 14 -10.693 -0.775 0.872
99 HB2 ASN 14 2HB ASN 14 -10.523 -1.490 -1.512
100 HB3 ASN 14 1HB ASN 14 -10.669 0.247 -1.312
101 HD21 ASN 14 1HD2 ASN 14 -9.796 0.641 -3.328
102 HD22 ASN 14 2HD2 ASN 14 -8.113 0.445 -3.663
103 H1 WMH 101 1HG AZH 3 -2.277 -2.147 3.454
104 H2 WMH 101 2HG AZH 3 -2.345 -1.304 1.957
105 H5 WMH 101 HD PRG 11 0.728 1.826 3.459
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -7.299 -1.167 0.692
2 HA2 GLY 1 2HA GLY 1 -6.434 -3.075 1.832
3 HA3 GLY 1 1HA GLY 1 -7.124 -4.090 0.574
4 H LYS 2 H LYS 2 -5.815 -1.433 -0.908
5 HA LYS 2 HA LYS 2 -3.618 -2.980 -1.892
6 HB2 LYS 2 2HB LYS 2 -4.889 -1.357 -3.316
7 HB3 LYS 2 1HB LYS 2 -4.249 -0.047 -2.344
8 HG2 LYS 2 2HG LYS 2 -3.012 -0.196 -4.408
9 HG3 LYS 2 1HG LYS 2 -1.964 -0.667 -3.071
10 HD2 LYS 2 2HD LYS 2 -2.419 -3.037 -3.581
11 HD3 LYS 2 1HD LYS 2 -3.415 -2.540 -4.945
12 HE2 LYS 2 2HE LYS 2 -1.484 -1.522 -6.016
13 HE3 LYS 2 1HE LYS 2 -0.477 -1.914 -4.621
14 HZ1 LYS 2 1HZ LYS 2 -1.765 -3.875 -6.460
15 HZ2 LYS 2 2HZ LYS 2 -0.959 -4.270 -5.060
16 HZ3 LYS 2 3HZ LYS 2 -0.111 -3.574 -6.317
17 H ALA 3 H AZH 3 -1.818 -3.227 -0.787
18 HA ALA 3 HA AZH 3 -0.732 -1.030 0.768
19 HB1 ALA 3 1HB AZH 3 -0.087 -3.065 2.378
20 HB2 ALA 3 2HB AZH 3 -1.632 -3.652 1.777
21 H LEU 4 H LEU 4 1.319 -0.791 0.584
22 HA LEU 4 HA LEU 4 2.809 -2.850 -0.867
23 HB2 LEU 4 2HB LEU 4 3.514 0.041 -0.346
24 HB3 LEU 4 1HB LEU 4 4.467 -1.088 -1.280
25 HG LEU 4 HG LEU 4 1.765 0.020 -2.010
26 HD11 LEU 4 1HD1 LEU 4 4.485 0.414 -3.239
27 HD12 LEU 4 2HD1 LEU 4 3.598 1.595 -2.281
28 HD13 LEU 4 3HD1 LEU 4 2.969 1.081 -3.846
29 HD21 LEU 4 1HD2 LEU 4 2.061 -1.179 -4.139
30 HD22 LEU 4 2HD2 LEU 4 1.926 -2.277 -2.769
31 HD23 LEU 4 3HD2 LEU 4 3.506 -1.954 -3.484
32 H PHE 5 H PHE 5 4.292 -3.978 0.199
33 HA PHE 5 HA PHE 5 4.994 -3.193 2.919
34 HB2 PHE 5 2HB PHE 5 4.506 -5.617 2.275
35 HB3 PHE 5 1HB PHE 5 5.963 -5.575 1.293
36 HD1 PHE 5 1HD PHE 5 8.154 -5.704 2.322
37 HD2 PHE 5 2HD PHE 5 4.631 -5.584 4.706
38 HE1 PHE 5 1HE PHE 5 9.462 -6.392 4.282
39 HE2 PHE 5 2HE PHE 5 5.935 -6.270 6.672
40 HZ PHE 5 HZ PHE 5 8.352 -6.674 6.464
41 H SER 6 H SER 6 5.998 -3.117 -0.280
42 HA SER 6 HA SER 6 8.769 -2.600 0.045
43 HB2 SER 6 2HB SER 6 6.902 -1.993 -2.245
44 HB3 SER 6 1HB SER 6 8.662 -2.116 -2.331
45 HG SER 6 HG SER 6 8.351 -4.289 -1.509
46 H ASN 7 H ASN 7 9.737 -0.501 -0.284
47 HA ASN 7 HA ASN 7 8.222 1.590 0.907
48 HB2 ASN 7 2HB ASN 7 10.232 2.979 0.737
49 HB3 ASN 7 1HB ASN 7 10.647 1.394 1.364
50 HD21 ASN 7 1HD2 ASN 7 12.227 3.469 -0.008
51 HD22 ASN 7 2HD2 ASN 7 12.980 2.690 -1.344
52 HA PRO 8 HA PRO 8 7.759 3.490 1.067
53 HB2 PRO 8 2HB PRO 8 5.786 5.264 0.703
54 HB3 PRO 8 1HB PRO 8 7.463 5.646 0.302
55 HG2 PRO 8 2HG PRO 8 5.198 4.966 -1.504
56 HG3 PRO 8 1HG PRO 8 6.568 6.051 -1.776
57 HD2 PRO 8 2HD PRO 8 6.329 3.407 -2.702
58 HD3 PRO 8 1HD PRO 8 7.809 4.384 -2.687
59 HA PRO 9 HA PRO 9 4.311 0.673 1.694
60 HB2 PRO 9 2HB PRO 9 4.357 1.394 4.522
61 HB3 PRO 9 1HB PRO 9 4.776 -0.149 3.770
62 HG2 PRO 9 2HG PRO 9 6.613 1.477 4.910
63 HG3 PRO 9 1HG PRO 9 6.989 0.426 3.533
64 HD2 PRO 9 2HD PRO 9 6.394 3.362 3.579
65 HD3 PRO 9 1HD PRO 9 7.629 2.465 2.665
66 H ILE 10 H ILE 10 2.874 2.028 0.623
67 HA ILE 10 HA ILE 10 1.292 3.757 2.354
68 HB ILE 10 HB ILE 10 2.211 4.908 0.388
69 HG12 ILE 10 2HG1 ILE 10 -0.768 4.495 0.043
70 HG13 ILE 10 1HG1 ILE 10 -0.029 5.551 1.239
71 HG21 ILE 10 1HG2 ILE 10 0.741 2.873 -1.276
72 HG22 ILE 10 2HG2 ILE 10 2.488 3.055 -1.126
73 HG23 ILE 10 3HG2 ILE 10 1.534 4.320 -1.901
74 HD11 ILE 10 1HD1 ILE 10 -0.842 6.799 -0.676
75 HD12 ILE 10 2HD1 ILE 10 0.190 5.844 -1.744
76 HD13 ILE 10 3HD1 ILE 10 0.914 6.913 -0.542
77 H ALA 11 H PRG 11 -0.887 3.410 2.576
78 HA ALA 11 HA PRG 11 -1.894 0.995 1.303
79 HB1 ALA 11 1HB PRG 11 -3.065 0.329 3.293
80 HB2 ALA 11 2HB PRG 11 -2.497 1.679 4.216
81 H PHE 12 H PHE 12 -3.911 0.922 0.777
82 HA PHE 12 HA PHE 12 -5.463 3.394 0.963
83 HB2 PHE 12 2HB PHE 12 -5.357 1.416 -1.338
84 HB3 PHE 12 1HB PHE 12 -6.397 2.826 -1.259
85 HD1 PHE 12 1HD PHE 12 -5.485 5.068 -1.532
86 HD2 PHE 12 2HD PHE 12 -2.995 1.630 -1.828
87 HE1 PHE 12 1HE PHE 12 -3.739 6.427 -2.592
88 HE2 PHE 12 2HE PHE 12 -1.245 2.988 -2.889
89 HZ PHE 12 HZ PHE 12 -1.616 5.389 -3.269
90 HA PRO 13 HA PRO 13 -8.481 1.054 3.212
91 HB2 PRO 13 2HB PRO 13 -10.507 2.410 1.521
92 HB3 PRO 13 1HB PRO 13 -10.387 2.312 3.281
93 HG2 PRO 13 2HG PRO 13 -9.718 4.546 2.034
94 HG3 PRO 13 1HG PRO 13 -8.755 3.955 3.399
95 HD2 PRO 13 2HD PRO 13 -8.170 3.847 0.476
96 HD3 PRO 13 1HD PRO 13 -7.079 4.142 1.847
97 H ASN 14 H ASN 14 -8.403 0.751 -0.232
98 HA ASN 14 HA ASN 14 -10.442 -1.301 -0.353
99 HB2 ASN 14 2HB ASN 14 -9.825 -1.584 -2.696
100 HB3 ASN 14 1HB ASN 14 -9.991 0.128 -2.345
101 HD21 ASN 14 1HD2 ASN 14 -8.531 -1.279 -4.438
102 HD22 ASN 14 2HD2 ASN 14 -6.902 -0.714 -4.327
103 H1 WMH 101 1HG AZH 3 -2.400 -2.369 3.634
104 H2 WMH 101 2HG AZH 3 -2.375 -1.243 2.326
105 H5 WMH 101 HD PRG 11 0.187 1.708 4.836
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -7.450 -1.149 1.058
2 HA2 GLY 1 2HA GLY 1 -7.197 -2.975 2.706
3 HA3 GLY 1 1HA GLY 1 -8.082 -3.986 1.572
4 H LYS 2 H LYS 2 -6.333 -2.238 -0.445
5 HA LYS 2 HA LYS 2 -4.349 -4.308 -0.674
6 HB2 LYS 2 2HB LYS 2 -5.476 -3.531 -2.688
7 HB3 LYS 2 1HB LYS 2 -4.929 -1.890 -2.400
8 HG2 LYS 2 2HG LYS 2 -3.612 -2.921 -4.145
9 HG3 LYS 2 1HG LYS 2 -2.602 -2.625 -2.729
10 HD2 LYS 2 2HD LYS 2 -2.888 -4.978 -2.065
11 HD3 LYS 2 1HD LYS 2 -3.837 -5.260 -3.526
12 HE2 LYS 2 2HE LYS 2 -1.908 -4.654 -4.898
13 HE3 LYS 2 1HE LYS 2 -0.963 -4.345 -3.443
14 HZ1 LYS 2 1HZ LYS 2 -2.116 -6.961 -4.230
15 HZ2 LYS 2 2HZ LYS 2 -1.211 -6.684 -2.845
16 HZ3 LYS 2 3HZ LYS 2 -0.498 -6.530 -4.366
17 H ALA 3 H AZH 3 -2.468 -4.173 0.302
18 HA ALA 3 HA AZH 3 -1.315 -1.532 0.685
19 HB1 ALA 3 1HB AZH 3 0.075 -2.970 2.483
20 HB2 ALA 3 2HB AZH 3 -1.445 -3.858 2.511
21 H LEU 4 H LEU 4 0.562 -1.052 -0.093
22 HA LEU 4 HA LEU 4 1.939 -3.133 -1.577
23 HB2 LEU 4 2HB LEU 4 1.176 -1.149 -2.796
24 HB3 LEU 4 1HB LEU 4 2.124 -0.140 -1.713
25 HG LEU 4 HG LEU 4 4.185 -1.198 -2.581
26 HD11 LEU 4 1HD1 LEU 4 3.263 -3.342 -3.257
27 HD12 LEU 4 2HD1 LEU 4 4.066 -2.558 -4.614
28 HD13 LEU 4 3HD1 LEU 4 2.307 -2.553 -4.511
29 HD21 LEU 4 1HD2 LEU 4 4.145 -0.097 -4.768
30 HD22 LEU 4 2HD2 LEU 4 3.389 0.900 -3.528
31 HD23 LEU 4 3HD2 LEU 4 2.387 0.015 -4.678
32 H PHE 5 H PHE 5 3.463 -3.987 -0.437
33 HA PHE 5 HA PHE 5 4.767 -2.490 1.667
34 HB2 PHE 5 2HB PHE 5 4.129 -4.810 2.171
35 HB3 PHE 5 1HB PHE 5 5.148 -5.390 0.859
36 HD1 PHE 5 1HD PHE 5 7.462 -5.763 1.191
37 HD2 PHE 5 2HD PHE 5 5.213 -3.666 4.139
38 HE1 PHE 5 1HE PHE 5 9.377 -5.861 2.717
39 HE2 PHE 5 2HE PHE 5 7.132 -3.765 5.669
40 HZ PHE 5 HZ PHE 5 9.220 -4.866 4.955
41 H SER 6 H SER 6 6.396 -1.287 1.269
42 HA SER 6 HA SER 6 8.710 -2.028 -0.079
43 HB2 SER 6 2HB SER 6 7.162 -1.589 -2.069
44 HB3 SER 6 1HB SER 6 6.926 0.042 -1.455
45 HG SER 6 HG SER 6 8.523 0.293 -2.880
46 H ASN 7 H ASN 7 9.730 0.478 -0.403
47 HA ASN 7 HA ASN 7 8.782 1.965 1.907
48 HB2 ASN 7 2HB ASN 7 11.098 2.758 2.427
49 HB3 ASN 7 1HB ASN 7 10.951 1.021 2.580
50 HD21 ASN 7 1HD2 ASN 7 12.084 -0.290 1.129
51 HD22 ASN 7 2HD2 ASN 7 13.349 0.307 0.138
52 HA PRO 8 HA PRO 8 7.930 3.627 2.464
53 HB2 PRO 8 2HB PRO 8 5.853 5.214 1.965
54 HB3 PRO 8 1HB PRO 8 7.475 5.890 2.163
55 HG2 PRO 8 2HG PRO 8 5.969 5.297 -0.351
56 HG3 PRO 8 1HG PRO 8 6.890 6.751 0.074
57 HD2 PRO 8 2HD PRO 8 7.858 4.712 -1.476
58 HD3 PRO 8 1HD PRO 8 8.894 5.778 -0.516
59 HA PRO 9 HA PRO 9 4.735 0.671 1.321
60 HB2 PRO 9 2HB PRO 9 3.439 0.819 3.869
61 HB3 PRO 9 1HB PRO 9 4.587 -0.402 3.324
62 HG2 PRO 9 2HG PRO 9 5.067 1.459 5.327
63 HG3 PRO 9 1HG PRO 9 6.309 0.563 4.439
64 HD2 PRO 9 2HD PRO 9 5.369 3.365 4.080
65 HD3 PRO 9 1HD PRO 9 6.989 2.662 3.878
66 H ILE 10 H ILE 10 3.218 1.396 0.000
67 HA ILE 10 HA ILE 10 1.516 3.608 0.849
68 HB ILE 10 HB ILE 10 1.772 2.316 -1.887
69 HG12 ILE 10 2HG1 ILE 10 3.856 3.442 -1.295
70 HG13 ILE 10 1HG1 ILE 10 3.011 4.357 -2.537
71 HG21 ILE 10 1HG2 ILE 10 0.558 4.282 -2.717
72 HG22 ILE 10 2HG2 ILE 10 0.380 4.863 -1.064
73 HG23 ILE 10 3HG2 ILE 10 -0.406 3.363 -1.559
74 HD11 ILE 10 1HD1 ILE 10 3.142 5.013 0.402
75 HD12 ILE 10 2HD1 ILE 10 2.204 5.898 -0.793
76 HD13 ILE 10 3HD1 ILE 10 3.961 5.862 -0.912
77 H ALA 11 H PRG 11 -0.352 3.068 1.764
78 HA ALA 11 HA PRG 11 -1.509 0.536 0.937
79 HB1 ALA 11 1HB PRG 11 -2.724 0.458 3.041
80 HB2 ALA 11 2HB PRG 11 -2.029 1.935 3.603
81 H PHE 12 H PHE 12 -3.541 0.390 0.369
82 HA PHE 12 HA PHE 12 -4.824 2.931 -0.254
83 HB2 PHE 12 2HB PHE 12 -5.228 0.218 -1.557
84 HB3 PHE 12 1HB PHE 12 -5.886 1.758 -2.106
85 HD1 PHE 12 1HD PHE 12 -3.112 -0.499 -2.267
86 HD2 PHE 12 2HD PHE 12 -4.262 3.538 -2.893
87 HE1 PHE 12 1HE PHE 12 -1.102 -0.150 -3.634
88 HE2 PHE 12 2HE PHE 12 -2.252 3.898 -4.268
89 HZ PHE 12 HZ PHE 12 -0.667 2.055 -4.636
90 HA PRO 13 HA PRO 13 -7.692 1.932 2.918
91 HB2 PRO 13 2HB PRO 13 -9.886 3.292 1.943
92 HB3 PRO 13 1HB PRO 13 -8.557 4.026 2.845
93 HG2 PRO 13 2HG PRO 13 -9.037 3.940 -0.101
94 HG3 PRO 13 1HG PRO 13 -8.407 5.260 0.895
95 HD2 PRO 13 2HD PRO 13 -6.796 3.740 -0.616
96 HD3 PRO 13 1HD PRO 13 -6.275 4.365 0.961
97 H ASN 14 H ASN 14 -8.145 0.745 -0.216
98 HA ASN 14 HA ASN 14 -10.671 -0.548 0.330
99 HB2 ASN 14 2HB ASN 14 -10.517 -1.516 -1.882
100 HB3 ASN 14 1HB ASN 14 -10.064 0.175 -1.995
101 HD21 ASN 14 1HD2 ASN 14 -9.488 -1.903 -3.847
102 HD22 ASN 14 2HD2 ASN 14 -7.776 -2.050 -3.930
103 H1 WMH 101 1HG AZH 3 -2.202 -2.159 4.002
104 H2 WMH 101 2HG AZH 3 -2.230 -1.294 2.530
105 H5 WMH 101 HD PRG 11 0.690 1.911 4.118
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -7.562 -1.082 0.776
2 HA2 GLY 1 2HA GLY 1 -7.256 -3.235 1.853
3 HA3 GLY 1 1HA GLY 1 -8.228 -3.946 0.575
4 H LYS 2 H LYS 2 -5.961 -1.552 -0.364
5 HA LYS 2 HA LYS 2 -4.283 -3.652 -1.529
6 HB2 LYS 2 2HB LYS 2 -5.334 -2.040 -3.107
7 HB3 LYS 2 1HB LYS 2 -4.512 -0.725 -2.290
8 HG2 LYS 2 2HG LYS 2 -2.356 -1.685 -2.951
9 HG3 LYS 2 1HG LYS 2 -3.206 -2.974 -3.807
10 HD2 LYS 2 2HD LYS 2 -4.286 -1.266 -5.235
11 HD3 LYS 2 1HD LYS 2 -3.357 -0.018 -4.406
12 HE2 LYS 2 2HE LYS 2 -2.189 -2.319 -5.977
13 HE3 LYS 2 1HE LYS 2 -2.354 -0.670 -6.567
14 HZ1 LYS 2 1HZ LYS 2 -0.796 0.055 -4.851
15 HZ2 LYS 2 2HZ LYS 2 -0.103 -1.184 -5.759
16 HZ3 LYS 2 3HZ LYS 2 -0.713 -1.507 -4.239
17 H ALA 3 H AZH 3 -2.451 -4.045 -0.473
18 HA ALA 3 HA AZH 3 -0.908 -1.839 0.594
19 HB1 ALA 3 1HB AZH 3 -0.320 -3.694 2.445
20 HB2 ALA 3 2HB AZH 3 -1.997 -4.113 2.119
21 H LEU 4 H LEU 4 1.097 -1.881 0.160
22 HA LEU 4 HA LEU 4 2.408 -4.362 -0.629
23 HB2 LEU 4 2HB LEU 4 1.917 -2.975 -2.629
24 HB3 LEU 4 1HB LEU 4 2.722 -1.618 -1.870
25 HG LEU 4 HG LEU 4 4.851 -2.898 -1.944
26 HD11 LEU 4 1HD1 LEU 4 3.247 -4.859 -3.568
27 HD12 LEU 4 2HD1 LEU 4 3.945 -5.150 -1.976
28 HD13 LEU 4 3HD1 LEU 4 4.997 -4.876 -3.363
29 HD21 LEU 4 1HD2 LEU 4 3.449 -2.509 -4.583
30 HD22 LEU 4 2HD2 LEU 4 5.193 -2.644 -4.358
31 HD23 LEU 4 3HD2 LEU 4 4.318 -1.275 -3.672
32 H PHE 5 H PHE 5 4.207 -4.626 0.616
33 HA PHE 5 HA PHE 5 4.946 -2.354 2.246
34 HB2 PHE 5 2HB PHE 5 4.619 -4.573 3.375
35 HB3 PHE 5 1HB PHE 5 5.998 -5.191 2.476
36 HD1 PHE 5 1HD PHE 5 5.065 -2.429 4.802
37 HD2 PHE 5 2HD PHE 5 8.103 -5.082 3.445
38 HE1 PHE 5 1HE PHE 5 6.567 -1.608 6.573
39 HE2 PHE 5 2HE PHE 5 9.609 -4.269 5.214
40 HZ PHE 5 HZ PHE 5 8.841 -2.528 6.778
41 H SER 6 H SER 6 5.714 -1.211 0.516
42 HA SER 6 HA SER 6 8.363 -1.954 -0.413
43 HB2 SER 6 2HB SER 6 7.736 -0.286 -2.225
44 HB3 SER 6 1HB SER 6 6.824 -1.796 -2.228
45 HG SER 6 HG SER 6 5.720 0.452 -2.289
46 H ASN 7 H ASN 7 9.297 0.529 -1.110
47 HA ASN 7 HA ASN 7 8.881 2.160 1.284
48 HB2 ASN 7 2HB ASN 7 11.173 1.243 1.242
49 HB3 ASN 7 1HB ASN 7 11.415 1.909 -0.369
50 HD21 ASN 7 1HD2 ASN 7 11.136 2.645 2.999
51 HD22 ASN 7 2HD2 ASN 7 11.751 4.250 2.932
52 HA PRO 8 HA PRO 8 8.173 3.840 1.940
53 HB2 PRO 8 2HB PRO 8 6.054 5.503 1.885
54 HB3 PRO 8 1HB PRO 8 7.711 6.114 1.797
55 HG2 PRO 8 2HG PRO 8 5.734 5.675 -0.409
56 HG3 PRO 8 1HG PRO 8 6.818 7.051 -0.145
57 HD2 PRO 8 2HD PRO 8 7.349 5.029 -1.900
58 HD3 PRO 8 1HD PRO 8 8.611 5.967 -1.082
59 HA PRO 9 HA PRO 9 4.890 0.773 1.689
60 HB2 PRO 9 2HB PRO 9 4.032 1.562 4.401
61 HB3 PRO 9 1HB PRO 9 4.668 0.013 3.847
62 HG2 PRO 9 2HG PRO 9 6.116 1.655 5.411
63 HG3 PRO 9 1HG PRO 9 6.866 0.647 4.163
64 HD2 PRO 9 2HD PRO 9 6.225 3.570 4.109
65 HD3 PRO 9 1HD PRO 9 7.656 2.708 3.499
66 H ILE 10 H ILE 10 3.241 1.325 0.417
67 HA ILE 10 HA ILE 10 1.490 3.505 1.286
68 HB ILE 10 HB ILE 10 2.023 2.527 -1.537
69 HG12 ILE 10 2HG1 ILE 10 3.857 3.880 -0.649
70 HG13 ILE 10 1HG1 ILE 10 2.997 4.764 -1.903
71 HG21 ILE 10 1HG2 ILE 10 0.204 4.750 -0.615
72 HG22 ILE 10 2HG2 ILE 10 -0.305 3.212 -1.308
73 HG23 ILE 10 3HG2 ILE 10 0.589 4.369 -2.294
74 HD11 ILE 10 1HD1 ILE 10 1.829 6.047 -0.151
75 HD12 ILE 10 2HD1 ILE 10 3.579 6.230 -0.073
76 HD13 ILE 10 3HD1 ILE 10 2.756 5.183 1.077
77 H ALA 11 H PRG 11 -0.391 2.935 1.991
78 HA ALA 11 HA PRG 11 -1.623 0.493 0.956
79 HB1 ALA 11 1HB PRG 11 -2.698 0.184 3.111
80 HB2 ALA 11 2HB PRG 11 -1.878 1.550 3.801
81 H PHE 12 H PHE 12 -3.788 0.540 0.685
82 HA PHE 12 HA PHE 12 -5.034 3.200 0.647
83 HB2 PHE 12 2HB PHE 12 -5.418 0.916 -1.305
84 HB3 PHE 12 1HB PHE 12 -6.299 2.433 -1.333
85 HD1 PHE 12 1HD PHE 12 -5.298 4.428 -2.183
86 HD2 PHE 12 2HD PHE 12 -3.066 0.818 -1.960
87 HE1 PHE 12 1HE PHE 12 -3.581 5.397 -3.657
88 HE2 PHE 12 2HE PHE 12 -1.356 1.777 -3.423
89 HZ PHE 12 HZ PHE 12 -1.610 4.066 -4.278
90 HA PRO 13 HA PRO 13 -8.049 1.301 3.301
91 HB2 PRO 13 2HB PRO 13 -10.141 2.990 2.857
92 HB3 PRO 13 1HB PRO 13 -8.752 3.408 3.863
93 HG2 PRO 13 2HG PRO 13 -9.319 4.136 1.017
94 HG3 PRO 13 1HG PRO 13 -8.664 5.142 2.319
95 HD2 PRO 13 2HD PRO 13 -7.099 4.057 0.416
96 HD3 PRO 13 1HD PRO 13 -6.537 4.288 2.084
97 H ASN 14 H ASN 14 -8.079 0.916 0.128
98 HA ASN 14 HA ASN 14 -10.718 -0.275 -0.037
99 HB2 ASN 14 2HB ASN 14 -10.181 -0.705 -2.448
100 HB3 ASN 14 1HB ASN 14 -10.090 0.992 -2.018
101 HD21 ASN 14 1HD2 ASN 14 -8.768 1.516 -3.700
102 HD22 ASN 14 2HD2 ASN 14 -7.126 1.014 -3.844
103 H1 WMH 101 1HG AZH 3 -2.339 -2.488 3.808
104 H2 WMH 101 2HG AZH 3 -2.332 -1.577 2.344
105 H5 WMH 101 HD PRG 11 0.879 1.313 4.052