Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
551428 | 2lx5 RC | 18659 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 1.486 0.398 0.980
2 HA ASP 1 HA ASP 1 1.246 -0.951 -1.545
3 HB2 ASP 1 2HB ASP 1 1.128 1.947 -1.441
4 HB3 ASP 1 3HB ASP 1 2.511 1.393 -2.381
5 HA PRO 2 HA PRO 2 5.465 -1.896 -0.813
6 HB2 PRO 2 2HB PRO 2 6.487 -2.011 -3.325
7 HB3 PRO 2 3HB PRO 2 5.391 -3.237 -2.677
8 HG2 PRO 2 2HG PRO 2 4.792 -0.923 -4.479
9 HG3 PRO 2 3HG PRO 2 4.206 -2.594 -4.572
10 HD2 PRO 2 2HD PRO 2 2.711 -0.581 -3.550
11 HD3 PRO 2 3HD PRO 2 2.594 -2.251 -2.960
12 H ARG 3 H ARG 3 4.709 0.963 -2.648
13 HA ARG 3 HA ARG 3 7.423 1.995 -2.452
14 HB2 ARG 3 2HB ARG 3 4.919 3.251 -3.592
15 HB3 ARG 3 3HB ARG 3 6.538 3.929 -3.696
16 HG2 ARG 3 2HG ARG 3 6.890 1.425 -4.736
17 HG3 ARG 3 3HG ARG 3 5.269 1.847 -5.292
18 HD2 ARG 3 2HD ARG 3 7.408 3.894 -5.542
19 HD3 ARG 3 3HD ARG 3 7.445 2.522 -6.649
20 HE ARG 3 HE ARG 3 4.851 3.561 -6.633
21 HH11 ARG 3 1HH1 ARG 3 8.063 4.480 -7.614
22 HH12 ARG 3 2HH1 ARG 3 7.517 5.510 -8.896
23 HH21 ARG 3 1HH2 ARG 3 4.121 4.914 -8.317
24 HH22 ARG 3 2HH2 ARG 3 5.275 5.757 -9.294
25 H ILE 4 H ILE 4 4.816 1.803 -0.443
26 HA ILE 4 HA ILE 4 5.264 4.419 0.803
27 HB ILE 4 HB ILE 4 3.129 2.342 1.298
28 HG12 ILE 4 2HG1 ILE 4 2.955 5.130 0.136
29 HG13 ILE 4 3HG1 ILE 4 2.925 3.643 -0.805
30 HG21 ILE 4 1HG2 ILE 4 3.641 4.987 2.642
31 HG22 ILE 4 2HG2 ILE 4 2.108 4.121 2.740
32 HG23 ILE 4 3HG2 ILE 4 3.576 3.391 3.388
33 HD11 ILE 4 3HD1 ILE 4 0.700 4.050 -0.656
34 HD12 ILE 4 1HD1 ILE 4 0.911 3.090 0.808
35 HD13 ILE 4 2HD1 ILE 4 0.836 4.849 0.911
36 H ALA 5 H ALA 5 5.821 1.030 1.253
37 HA ALA 5 HA ALA 5 6.435 1.262 4.068
38 HB1 ALA 5 1HB ALA 5 6.632 -1.030 4.098
39 HB2 ALA 5 2HB ALA 5 5.499 -0.798 2.766
40 HB3 ALA 5 3HB ALA 5 7.202 -1.111 2.430
41 H ALA 6 H ALA 6 8.151 1.261 1.026
42 HA ALA 6 HA ALA 6 10.740 0.710 1.901
43 HB1 ALA 6 1HB ALA 6 9.514 1.603 -0.485
44 HB2 ALA 6 2HB ALA 6 10.856 2.694 -0.138
45 HB3 ALA 6 3HB ALA 6 11.141 0.958 -0.265
46 H ARG 7 H ARG 7 8.781 3.527 2.328
47 HA ARG 7 HA ARG 7 11.069 5.149 3.148
48 HB2 ARG 7 2HB ARG 7 8.614 5.739 1.921
49 HB3 ARG 7 3HB ARG 7 8.502 6.414 3.541
50 HG2 ARG 7 2HG ARG 7 10.815 7.436 3.031
51 HG3 ARG 7 3HG ARG 7 10.417 7.088 1.347
52 HD2 ARG 7 2HD ARG 7 8.197 8.343 2.692
53 HD3 ARG 7 3HD ARG 7 9.657 9.320 2.847
54 HE ARG 7 HE ARG 7 9.433 8.525 0.182
55 HH11 ARG 7 1HH1 ARG 7 7.752 10.525 2.484
56 HH12 ARG 7 2HH1 ARG 7 7.130 11.609 1.284
57 HH21 ARG 7 1HH2 ARG 7 8.619 9.945 -1.406
58 HH22 ARG 7 2HH2 ARG 7 7.623 11.277 -0.929
59 H GLY 8 H GLY 8 8.455 3.308 4.468
60 HA2 GLY 8 2HA GLY 8 8.339 4.540 7.026
61 HA3 GLY 8 3HA GLY 8 7.746 2.936 6.624
62 H ARG 9 H ARG 9 10.376 2.046 5.655
63 HA ARG 9 HA ARG 9 11.396 1.120 8.161
64 HB2 ARG 9 2HB ARG 9 11.376 -0.238 6.064
65 HB3 ARG 9 3HB ARG 9 12.617 0.825 5.413
66 HG2 ARG 9 2HG ARG 9 14.213 0.095 6.984
67 HG3 ARG 9 3HG ARG 9 12.984 -0.698 7.973
68 HD2 ARG 9 2HD ARG 9 12.938 -1.708 5.274
69 HD3 ARG 9 3HD ARG 9 14.555 -1.847 5.965
70 HE ARG 9 HE ARG 9 12.572 -2.767 7.781
71 HH11 ARG 9 1HH1 ARG 9 14.335 -3.653 4.913
72 HH12 ARG 9 2HH1 ARG 9 14.209 -5.356 5.203
73 HH21 ARG 9 1HH2 ARG 9 12.399 -5.007 8.175
74 HH22 ARG 9 2HH2 ARG 9 13.107 -6.126 7.059
75 H ALA 10 H ALA 10 12.233 3.649 5.922
76 HA ALA 10 HA ALA 10 14.887 4.122 6.642
77 HB1 ALA 10 1HB ALA 10 14.718 5.811 5.199
78 HB2 ALA 10 2HB ALA 10 13.047 5.302 4.952
79 HB3 ALA 10 3HB ALA 10 13.419 6.570 6.121
80 H ARG 11 H ARG 11 11.910 4.896 8.278
81 HA ARG 11 HA ARG 11 12.671 6.941 9.965
82 HB2 ARG 11 2HB ARG 11 10.384 5.886 9.761
83 HB3 ARG 11 3HB ARG 11 10.964 4.599 10.809
84 HG2 ARG 11 2HG ARG 11 11.389 6.230 12.579
85 HG3 ARG 11 3HG ARG 11 10.802 7.519 11.526
86 HD2 ARG 11 2HD ARG 11 8.808 5.555 11.506
87 HD3 ARG 11 3HD ARG 11 9.323 5.690 13.187
88 HE ARG 11 HE ARG 11 8.389 7.783 13.273
89 HH11 ARG 11 1HH1 ARG 11 8.624 6.758 9.955
90 HH12 ARG 11 2HH1 ARG 11 7.685 8.080 9.344
91 HH21 ARG 11 1HH2 ARG 11 7.151 9.528 12.481
92 HH22 ARG 11 2HH2 ARG 11 6.848 9.655 10.781
93 H LEU 12 H LEU 12 12.542 3.553 11.060
94 HA LEU 12 HA LEU 12 14.116 3.907 13.322
95 HB2 LEU 12 2HB LEU 12 13.921 1.399 11.664
96 HB3 LEU 12 3HB LEU 12 14.363 1.506 13.366
97 HG LEU 12 HG LEU 12 11.666 2.411 12.421
98 HD11 LEU 12 1HD1 LEU 12 10.777 0.307 12.429
99 HD12 LEU 12 2HD1 LEU 12 12.040 -0.345 13.472
100 HD13 LEU 12 3HD1 LEU 12 12.374 -0.039 11.767
101 HD21 LEU 12 3HD2 LEU 12 11.992 1.068 14.995
102 HD22 LEU 12 1HD2 LEU 12 11.185 2.586 14.598
103 HD23 LEU 12 2HD2 LEU 12 12.932 2.553 14.841
104 H ARG 13 H ARG 13 15.036 3.292 9.997
105 HA ARG 13 HA ARG 13 17.697 2.538 10.368
106 HB2 ARG 13 2HB ARG 13 16.181 2.739 8.208
107 HB3 ARG 13 3HB ARG 13 16.973 4.304 8.073
108 HG2 ARG 13 2HG ARG 13 18.386 1.650 8.249
109 HG3 ARG 13 3HG ARG 13 18.100 2.565 6.767
110 HD2 ARG 13 2HD ARG 13 19.744 3.440 9.139
111 HD3 ARG 13 3HD ARG 13 20.355 2.952 7.558
112 HE ARG 13 HE ARG 13 18.691 5.023 6.996
113 HH11 ARG 13 1HH1 ARG 13 21.392 4.600 9.152
114 HH12 ARG 13 2HH1 ARG 13 21.887 6.258 9.067
115 HH21 ARG 13 1HH2 ARG 13 19.334 7.208 6.875
116 HH22 ARG 13 2HH2 ARG 13 20.715 7.741 7.772
117 H ALA 14 H ALA 14 16.432 5.796 9.641
118 HA ALA 14 HA ALA 14 18.844 7.169 9.909
119 HB1 ALA 14 1HB ALA 14 15.994 8.054 10.278
120 HB2 ALA 14 2HB ALA 14 17.360 9.166 10.386
121 HB3 ALA 14 3HB ALA 14 17.046 8.298 8.883
122 H VAL 15 H VAL 15 16.343 6.475 12.330
123 HA VAL 15 HA VAL 15 17.493 7.895 14.459
124 HB VAL 15 HB VAL 15 15.776 5.412 14.578
125 HG11 VAL 15 1HG1 VAL 15 15.175 6.634 16.837
126 HG12 VAL 15 2HG1 VAL 15 16.550 5.534 16.728
127 HG13 VAL 15 3HG1 VAL 15 16.806 7.277 16.654
128 HG21 VAL 15 3HG2 VAL 15 15.195 8.097 13.786
129 HG22 VAL 15 1HG2 VAL 15 14.116 6.705 13.869
130 HG23 VAL 15 2HG2 VAL 15 14.340 7.732 15.285
131 H GLY 16 H GLY 16 17.951 4.567 13.350
132 HA2 GLY 16 2HA GLY 16 19.433 3.547 15.458
133 HA3 GLY 16 3HA GLY 16 19.624 3.055 13.781
134 H ALA 17 H ALA 17 20.556 5.476 12.707
135 HA ALA 17 HA ALA 17 23.288 5.272 13.063
136 HB1 ALA 17 1HB ALA 17 23.397 7.550 12.019
137 HB2 ALA 17 2HB ALA 17 22.438 6.366 11.129
138 HB3 ALA 17 3HB ALA 17 21.636 7.599 12.103
139 H ILE 18 H ILE 18 21.270 7.955 14.284
140 HA ILE 18 HA ILE 18 23.345 8.587 16.238
141 HB ILE 18 HB ILE 18 20.783 10.068 15.633
142 HG12 ILE 18 2HG1 ILE 18 23.023 11.565 14.830
143 HG13 ILE 18 3HG1 ILE 18 23.306 9.934 14.230
144 HG21 ILE 18 1HG2 ILE 18 21.499 10.601 17.835
145 HG22 ILE 18 2HG2 ILE 18 23.179 10.750 17.321
146 HG23 ILE 18 3HG2 ILE 18 21.988 11.941 16.798
147 HD11 ILE 18 3HD1 ILE 18 20.635 10.510 13.639
148 HD12 ILE 18 1HD1 ILE 18 21.550 11.962 13.233
149 HD13 ILE 18 2HD1 ILE 18 21.994 10.411 12.519
Start of MODEL 2
1 H1 ASP 1 H ASP 1 1.646 -1.560 1.284
2 HA ASP 1 HA ASP 1 1.646 -1.466 -1.159
3 HB2 ASP 1 2HB ASP 1 1.312 1.360 -0.466
4 HB3 ASP 1 3HB ASP 1 2.482 1.092 -1.755
5 HA PRO 2 HA PRO 2 6.006 -1.932 -1.139
6 HB2 PRO 2 2HB PRO 2 6.662 -1.457 -3.730
7 HB3 PRO 2 3HB PRO 2 5.817 -2.918 -3.206
8 HG2 PRO 2 2HG PRO 2 4.705 -0.426 -4.438
9 HG3 PRO 2 3HG PRO 2 4.305 -2.119 -4.782
10 HD2 PRO 2 2HD PRO 2 2.756 -0.546 -3.215
11 HD3 PRO 2 3HD PRO 2 2.915 -2.294 -2.951
12 H ARG 3 H ARG 3 4.760 1.047 -2.537
13 HA ARG 3 HA ARG 3 7.330 2.382 -2.252
14 HB2 ARG 3 2HB ARG 3 4.663 3.435 -3.213
15 HB3 ARG 3 3HB ARG 3 6.183 4.318 -3.255
16 HG2 ARG 3 2HG ARG 3 6.835 2.033 -4.586
17 HG3 ARG 3 3HG ARG 3 5.149 2.262 -5.055
18 HD2 ARG 3 2HD ARG 3 6.940 4.629 -5.121
19 HD3 ARG 3 3HD ARG 3 7.159 3.402 -6.368
20 HE ARG 3 HE ARG 3 4.448 3.956 -6.264
21 HH11 ARG 3 1HH1 ARG 3 7.399 5.663 -6.971
22 HH12 ARG 3 2HH1 ARG 3 6.649 6.765 -8.078
23 HH21 ARG 3 1HH2 ARG 3 3.450 5.401 -7.719
24 HH22 ARG 3 2HH2 ARG 3 4.403 6.616 -8.502
25 H ILE 4 H ILE 4 4.818 1.639 -0.251
26 HA ILE 4 HA ILE 4 4.971 4.131 1.284
27 HB ILE 4 HB ILE 4 3.121 1.760 1.559
28 HG12 ILE 4 2HG1 ILE 4 2.682 3.234 -0.376
29 HG13 ILE 4 3HG1 ILE 4 1.392 3.315 0.819
30 HG21 ILE 4 1HG2 ILE 4 3.080 2.423 3.718
31 HG22 ILE 4 2HG2 ILE 4 3.687 4.037 3.348
32 HG23 ILE 4 3HG2 ILE 4 1.985 3.653 3.086
33 HD11 ILE 4 3HD1 ILE 4 1.637 5.502 0.990
34 HD12 ILE 4 1HD1 ILE 4 3.348 5.323 1.379
35 HD13 ILE 4 2HD1 ILE 4 2.832 5.433 -0.304
36 H ALA 5 H ALA 5 5.952 0.810 1.333
37 HA ALA 5 HA ALA 5 6.603 0.796 4.150
38 HB1 ALA 5 1HB ALA 5 6.824 -1.169 1.917
39 HB2 ALA 5 2HB ALA 5 7.764 -1.418 3.389
40 HB3 ALA 5 3HB ALA 5 6.005 -1.318 3.472
41 H ALA 6 H ALA 6 8.231 1.350 1.109
42 HA ALA 6 HA ALA 6 10.889 1.034 1.889
43 HB1 ALA 6 1HB ALA 6 9.503 2.030 -0.366
44 HB2 ALA 6 2HB ALA 6 10.710 3.234 0.089
45 HB3 ALA 6 3HB ALA 6 11.202 1.572 -0.239
46 H ARG 7 H ARG 7 8.609 3.517 2.657
47 HA ARG 7 HA ARG 7 10.699 5.312 3.632
48 HB2 ARG 7 2HB ARG 7 8.136 5.709 2.528
49 HB3 ARG 7 3HB ARG 7 8.026 6.214 4.209
50 HG2 ARG 7 2HG ARG 7 10.137 7.575 3.757
51 HG3 ARG 7 3HG ARG 7 9.806 7.284 2.049
52 HD2 ARG 7 2HD ARG 7 7.384 8.111 3.254
53 HD3 ARG 7 3HD ARG 7 8.646 9.215 3.799
54 HE ARG 7 HE ARG 7 7.511 9.084 1.200
55 HH11 ARG 7 1HH1 ARG 7 10.495 9.683 2.890
56 HH12 ARG 7 2HH1 ARG 7 11.144 10.704 1.649
57 HH21 ARG 7 1HH2 ARG 7 8.354 10.426 -0.440
58 HH22 ARG 7 2HH2 ARG 7 9.925 11.126 -0.244
59 H GLY 8 H GLY 8 8.368 3.019 4.761
60 HA2 GLY 8 2HA GLY 8 8.164 3.931 7.445
61 HA3 GLY 8 3HA GLY 8 7.766 2.319 6.867
62 H ARG 9 H ARG 9 10.462 1.888 5.774
63 HA ARG 9 HA ARG 9 11.696 1.007 8.246
64 HB2 ARG 9 2HB ARG 9 11.526 -0.478 6.249
65 HB3 ARG 9 3HB ARG 9 12.626 0.599 5.400
66 HG2 ARG 9 2HG ARG 9 14.070 0.090 7.619
67 HG3 ARG 9 3HG ARG 9 13.170 -1.420 7.464
68 HD2 ARG 9 2HD ARG 9 14.038 -0.772 4.879
69 HD3 ARG 9 3HD ARG 9 15.413 -0.463 5.940
70 HE ARG 9 HE ARG 9 14.328 -3.009 5.231
71 HH11 ARG 9 1HH1 ARG 9 15.984 -1.254 7.740
72 HH12 ARG 9 2HH1 ARG 9 16.725 -2.665 8.419
73 HH21 ARG 9 1HH2 ARG 9 15.296 -4.875 6.116
74 HH22 ARG 9 2HH2 ARG 9 16.333 -4.724 7.494
75 H ALA 10 H ALA 10 12.310 3.294 5.650
76 HA ALA 10 HA ALA 10 14.960 3.951 6.201
77 HB1 ALA 10 1HB ALA 10 12.947 5.992 5.315
78 HB2 ALA 10 2HB ALA 10 14.649 5.851 4.875
79 HB3 ALA 10 3HB ALA 10 13.478 4.691 4.249
80 H ARG 11 H ARG 11 11.972 5.092 7.683
81 HA ARG 11 HA ARG 11 12.888 7.254 9.130
82 HB2 ARG 11 2HB ARG 11 10.513 6.407 8.968
83 HB3 ARG 11 3HB ARG 11 10.931 5.216 10.192
84 HG2 ARG 11 2HG ARG 11 11.469 7.012 11.759
85 HG3 ARG 11 3HG ARG 11 11.044 8.206 10.530
86 HD2 ARG 11 2HD ARG 11 9.126 6.099 11.495
87 HD3 ARG 11 3HD ARG 11 9.267 7.682 12.258
88 HE ARG 11 HE ARG 11 8.888 8.067 9.518
89 HH11 ARG 11 1HH1 ARG 11 7.156 6.844 12.279
90 HH12 ARG 11 2HH1 ARG 11 5.597 7.272 11.655
91 HH21 ARG 11 1HH2 ARG 11 6.842 8.635 8.685
92 HH22 ARG 11 2HH2 ARG 11 5.420 8.289 9.610
93 H LEU 12 H LEU 12 12.388 4.063 10.634
94 HA LEU 12 HA LEU 12 13.895 4.531 12.908
95 HB2 LEU 12 2HB LEU 12 13.511 1.905 11.479
96 HB3 LEU 12 3HB LEU 12 14.015 2.102 13.157
97 HG LEU 12 HG LEU 12 11.324 2.831 12.000
98 HD11 LEU 12 1HD1 LEU 12 10.581 0.834 12.656
99 HD12 LEU 12 2HD1 LEU 12 11.451 0.917 14.187
100 HD13 LEU 12 3HD1 LEU 12 12.277 0.358 12.733
101 HD21 LEU 12 3HD2 LEU 12 12.675 3.556 14.500
102 HD22 LEU 12 1HD2 LEU 12 11.058 2.882 14.705
103 HD23 LEU 12 2HD2 LEU 12 11.297 4.305 13.691
104 H ARG 13 H ARG 13 14.928 3.664 9.700
105 HA ARG 13 HA ARG 13 17.480 2.671 10.233
106 HB2 ARG 13 2HB ARG 13 16.105 2.953 7.989
107 HB3 ARG 13 3HB ARG 13 17.050 4.430 7.859
108 HG2 ARG 13 2HG ARG 13 18.189 1.660 8.176
109 HG3 ARG 13 3HG ARG 13 18.070 2.554 6.659
110 HD2 ARG 13 2HD ARG 13 19.344 4.373 8.180
111 HD3 ARG 13 3HD ARG 13 19.933 2.887 8.923
112 HE ARG 13 HE ARG 13 20.698 3.942 6.401
113 HH11 ARG 13 1HH1 ARG 13 20.111 0.954 8.089
114 HH12 ARG 13 2HH1 ARG 13 21.189 0.031 7.097
115 HH21 ARG 13 1HH2 ARG 13 22.121 2.737 5.088
116 HH22 ARG 13 2HH2 ARG 13 22.333 1.045 5.391
117 H ALA 14 H ALA 14 16.536 6.016 9.429
118 HA ALA 14 HA ALA 14 19.099 7.122 9.849
119 HB1 ALA 14 1HB ALA 14 16.347 8.318 9.744
120 HB2 ALA 14 2HB ALA 14 17.783 9.298 10.039
121 HB3 ALA 14 3HB ALA 14 17.629 8.391 8.534
122 H VAL 15 H VAL 15 16.312 6.679 11.968
123 HA VAL 15 HA VAL 15 17.311 8.180 14.150
124 HB VAL 15 HB VAL 15 15.340 5.890 14.181
125 HG11 VAL 15 1HG1 VAL 15 16.166 7.905 16.238
126 HG12 VAL 15 2HG1 VAL 15 14.557 7.181 16.269
127 HG13 VAL 15 3HG1 VAL 15 15.988 6.158 16.400
128 HG21 VAL 15 3HG2 VAL 15 14.208 7.376 12.890
129 HG22 VAL 15 1HG2 VAL 15 13.819 8.064 14.467
130 HG23 VAL 15 2HG2 VAL 15 15.115 8.762 13.495
131 H GLY 16 H GLY 16 17.900 4.951 13.018
132 HA2 GLY 16 2HA GLY 16 18.992 3.978 15.496
133 HA3 GLY 16 3HA GLY 16 19.078 3.181 13.932
134 H ALA 17 H ALA 17 20.205 5.805 12.841
135 HA ALA 17 HA ALA 17 22.958 5.082 13.171
136 HB1 ALA 17 1HB ALA 17 22.430 5.830 11.027
137 HB2 ALA 17 2HB ALA 17 21.535 7.225 11.631
138 HB3 ALA 17 3HB ALA 17 23.295 7.189 11.746
139 H ILE 18 H ILE 18 20.815 7.432 14.567
140 HA ILE 18 HA ILE 18 22.760 9.239 15.544
141 HB ILE 18 HB ILE 18 20.051 8.668 16.747
142 HG12 ILE 18 2HG1 ILE 18 19.877 9.157 14.338
143 HG13 ILE 18 3HG1 ILE 18 19.203 10.459 15.312
144 HG21 ILE 18 1HG2 ILE 18 20.353 11.217 17.236
145 HG22 ILE 18 2HG2 ILE 18 21.104 10.015 18.283
146 HG23 ILE 18 3HG2 ILE 18 22.067 10.843 17.060
147 HD11 ILE 18 3HD1 ILE 18 21.902 11.099 14.895
148 HD12 ILE 18 1HD1 ILE 18 21.266 10.555 13.344
149 HD13 ILE 18 2HD1 ILE 18 20.479 11.878 14.205
Start of MODEL 3
1 H1 ASP 1 H ASP 1 1.611 -1.284 0.684
2 HA ASP 1 HA ASP 1 1.904 -1.228 -1.694
3 HB2 ASP 1 2HB ASP 1 1.783 1.683 -1.104
4 HB3 ASP 1 3HB ASP 1 2.770 1.184 -2.475
5 HA PRO 2 HA PRO 2 6.242 -1.779 -1.359
6 HB2 PRO 2 2HB PRO 2 7.083 -1.403 -3.912
7 HB3 PRO 2 3HB PRO 2 6.173 -2.829 -3.401
8 HG2 PRO 2 2HG PRO 2 5.202 -0.358 -4.785
9 HG3 PRO 2 3HG PRO 2 4.789 -2.054 -5.102
10 HD2 PRO 2 2HD PRO 2 3.171 -0.399 -3.696
11 HD3 PRO 2 3HD PRO 2 3.274 -2.140 -3.367
12 H ARG 3 H ARG 3 5.138 1.184 -2.889
13 HA ARG 3 HA ARG 3 7.717 2.477 -2.510
14 HB2 ARG 3 2HB ARG 3 5.119 3.559 -3.616
15 HB3 ARG 3 3HB ARG 3 6.656 4.413 -3.604
16 HG2 ARG 3 2HG ARG 3 7.313 2.076 -4.854
17 HG3 ARG 3 3HG ARG 3 5.664 2.355 -5.417
18 HD2 ARG 3 2HD ARG 3 7.931 4.341 -5.555
19 HD3 ARG 3 3HD ARG 3 7.332 3.374 -6.902
20 HE ARG 3 HE ARG 3 5.289 4.954 -5.661
21 HH11 ARG 3 1HH1 ARG 3 7.876 4.979 -7.991
22 HH12 ARG 3 2HH1 ARG 3 7.210 6.289 -8.909
23 HH21 ARG 3 1HH2 ARG 3 4.403 6.679 -6.862
24 HH22 ARG 3 2HH2 ARG 3 5.236 7.255 -8.266
25 H ILE 4 H ILE 4 5.100 1.822 -0.615
26 HA ILE 4 HA ILE 4 5.229 4.343 0.876
27 HB ILE 4 HB ILE 4 3.324 2.013 1.110
28 HG12 ILE 4 2HG1 ILE 4 3.004 3.454 -0.872
29 HG13 ILE 4 3HG1 ILE 4 1.662 3.582 0.259
30 HG21 ILE 4 1HG2 ILE 4 3.768 4.400 2.828
31 HG22 ILE 4 2HG2 ILE 4 2.115 3.842 2.572
32 HG23 ILE 4 3HG2 ILE 4 3.314 2.755 3.273
33 HD11 ILE 4 3HD1 ILE 4 2.220 5.756 -0.591
34 HD12 ILE 4 1HD1 ILE 4 2.636 5.674 1.121
35 HD13 ILE 4 2HD1 ILE 4 3.902 5.555 -0.101
36 H ALA 5 H ALA 5 6.144 1.006 1.037
37 HA ALA 5 HA ALA 5 6.662 1.040 3.881
38 HB1 ALA 5 1HB ALA 5 7.167 -1.214 3.699
39 HB2 ALA 5 2HB ALA 5 5.969 -0.983 2.426
40 HB3 ALA 5 3HB ALA 5 7.683 -1.067 2.018
41 H ALA 6 H ALA 6 8.442 1.497 0.910
42 HA ALA 6 HA ALA 6 11.053 1.149 1.819
43 HB1 ALA 6 1HB ALA 6 9.793 2.123 -0.518
44 HB2 ALA 6 2HB ALA 6 11.000 3.314 -0.030
45 HB3 ALA 6 3HB ALA 6 11.475 1.637 -0.302
46 H ARG 7 H ARG 7 8.789 3.690 2.429
47 HA ARG 7 HA ARG 7 10.865 5.465 3.466
48 HB2 ARG 7 2HB ARG 7 8.383 5.897 2.220
49 HB3 ARG 7 3HB ARG 7 8.174 6.414 3.888
50 HG2 ARG 7 2HG ARG 7 10.384 7.702 3.516
51 HG3 ARG 7 3HG ARG 7 10.029 7.475 1.802
52 HD2 ARG 7 2HD ARG 7 7.630 8.332 2.934
53 HD3 ARG 7 3HD ARG 7 8.873 9.323 3.696
54 HE ARG 7 HE ARG 7 9.241 10.362 1.683
55 HH11 ARG 7 1HH1 ARG 7 7.312 7.507 1.182
56 HH12 ARG 7 2HH1 ARG 7 6.957 7.878 -0.472
57 HH21 ARG 7 1HH2 ARG 7 8.781 10.862 -0.495
58 HH22 ARG 7 2HH2 ARG 7 7.794 9.786 -1.426
59 H GLY 8 H GLY 8 8.438 3.241 4.529
60 HA2 GLY 8 2HA GLY 8 8.127 4.213 7.181
61 HA3 GLY 8 3HA GLY 8 7.722 2.598 6.617
62 H ARG 9 H ARG 9 10.462 2.099 5.661
63 HA ARG 9 HA ARG 9 11.529 1.125 8.149
64 HB2 ARG 9 2HB ARG 9 11.622 -0.219 6.083
65 HB3 ARG 9 3HB ARG 9 12.677 0.985 5.356
66 HG2 ARG 9 2HG ARG 9 14.485 0.160 6.358
67 HG3 ARG 9 3HG ARG 9 13.665 0.021 7.915
68 HD2 ARG 9 2HD ARG 9 12.490 -2.015 6.897
69 HD3 ARG 9 3HD ARG 9 13.724 -1.937 5.640
70 HE ARG 9 HE ARG 9 15.231 -2.802 7.125
71 HH11 ARG 9 1HH1 ARG 9 12.478 -1.595 8.881
72 HH12 ARG 9 2HH1 ARG 9 13.006 -2.230 10.404
73 HH21 ARG 9 1HH2 ARG 9 15.937 -3.644 9.123
74 HH22 ARG 9 2HH2 ARG 9 14.974 -3.395 10.541
75 H ALA 10 H ALA 10 12.240 3.707 5.897
76 HA ALA 10 HA ALA 10 14.825 4.379 6.638
77 HB1 ALA 10 1HB ALA 10 13.015 6.654 6.165
78 HB2 ALA 10 2HB ALA 10 14.530 6.220 5.372
79 HB3 ALA 10 3HB ALA 10 13.031 5.413 4.911
80 H ARG 11 H ARG 11 11.802 4.963 8.294
81 HA ARG 11 HA ARG 11 12.481 6.983 10.045
82 HB2 ARG 11 2HB ARG 11 10.235 5.854 9.797
83 HB3 ARG 11 3HB ARG 11 10.855 4.558 10.810
84 HG2 ARG 11 2HG ARG 11 11.214 6.151 12.629
85 HG3 ARG 11 3HG ARG 11 10.586 7.449 11.611
86 HD2 ARG 11 2HD ARG 11 8.504 5.908 11.391
87 HD3 ARG 11 3HD ARG 11 9.143 5.136 12.842
88 HE ARG 11 HE ARG 11 9.089 7.881 13.302
89 HH11 ARG 11 1HH1 ARG 11 6.849 5.280 12.727
90 HH12 ARG 11 2HH1 ARG 11 5.567 6.009 13.636
91 HH21 ARG 11 1HH2 ARG 11 7.409 8.852 14.501
92 HH22 ARG 11 2HH2 ARG 11 5.886 8.041 14.644
93 H LEU 12 H LEU 12 12.468 3.562 11.039
94 HA LEU 12 HA LEU 12 14.059 3.938 13.305
95 HB2 LEU 12 2HB LEU 12 13.823 1.427 11.655
96 HB3 LEU 12 3HB LEU 12 14.317 1.535 13.344
97 HG LEU 12 HG LEU 12 11.573 2.277 12.336
98 HD11 LEU 12 1HD1 LEU 12 10.884 0.132 13.404
99 HD12 LEU 12 2HD1 LEU 12 12.590 -0.294 13.530
100 HD13 LEU 12 3HD1 LEU 12 11.854 -0.061 11.944
101 HD21 LEU 12 3HD2 LEU 12 12.294 1.577 15.150
102 HD22 LEU 12 1HD2 LEU 12 10.958 2.555 14.542
103 HD23 LEU 12 2HD2 LEU 12 12.597 3.206 14.542
104 H ARG 13 H ARG 13 14.916 3.316 9.964
105 HA ARG 13 HA ARG 13 17.583 2.566 10.287
106 HB2 ARG 13 2HB ARG 13 16.027 2.759 8.155
107 HB3 ARG 13 3HB ARG 13 16.814 4.324 8.001
108 HG2 ARG 13 2HG ARG 13 18.232 1.672 8.157
109 HG3 ARG 13 3HG ARG 13 17.918 2.583 6.678
110 HD2 ARG 13 2HD ARG 13 19.122 4.490 8.123
111 HD3 ARG 13 3HD ARG 13 19.884 3.068 8.834
112 HE ARG 13 HE ARG 13 20.374 4.160 6.246
113 HH11 ARG 13 1HH1 ARG 13 20.286 1.193 8.066
114 HH12 ARG 13 2HH1 ARG 13 21.419 0.377 7.040
115 HH21 ARG 13 1HH2 ARG 13 21.866 3.096 4.887
116 HH22 ARG 13 2HH2 ARG 13 22.317 1.461 5.232
117 H ALA 14 H ALA 14 16.139 5.789 9.990
118 HA ALA 14 HA ALA 14 18.679 7.125 10.210
119 HB1 ALA 14 1HB ALA 14 15.850 7.957 9.895
120 HB2 ALA 14 2HB ALA 14 16.975 9.125 10.590
121 HB3 ALA 14 3HB ALA 14 17.285 8.446 8.992
122 H VAL 15 H VAL 15 15.872 6.617 12.321
123 HA VAL 15 HA VAL 15 16.733 8.124 14.507
124 HB VAL 15 HB VAL 15 15.073 5.599 14.541
125 HG11 VAL 15 1HG1 VAL 15 15.620 5.876 16.759
126 HG12 VAL 15 2HG1 VAL 15 15.740 7.631 16.622
127 HG13 VAL 15 3HG1 VAL 15 14.157 6.854 16.643
128 HG21 VAL 15 3HG2 VAL 15 13.387 6.785 13.708
129 HG22 VAL 15 1HG2 VAL 15 13.615 8.044 14.922
130 HG23 VAL 15 2HG2 VAL 15 14.520 8.103 13.409
131 H GLY 16 H GLY 16 17.760 5.019 13.358
132 HA2 GLY 16 2HA GLY 16 19.018 4.253 15.850
133 HA3 GLY 16 3HA GLY 16 19.110 3.389 14.323
134 H ALA 17 H ALA 17 20.136 5.283 12.635
135 HA ALA 17 HA ALA 17 22.865 5.116 13.043
136 HB1 ALA 17 1HB ALA 17 23.097 6.785 11.278
137 HB2 ALA 17 2HB ALA 17 21.857 5.598 10.872
138 HB3 ALA 17 3HB ALA 17 21.391 7.202 11.439
139 H ILE 18 H ILE 18 21.018 8.163 13.252
140 HA ILE 18 HA ILE 18 23.089 9.260 14.990
141 HB ILE 18 HB ILE 18 20.660 10.640 13.843
142 HG12 ILE 18 2HG1 ILE 18 23.015 11.594 12.636
143 HG13 ILE 18 3HG1 ILE 18 23.151 9.839 12.620
144 HG21 ILE 18 1HG2 ILE 18 21.229 12.115 15.450
145 HG22 ILE 18 2HG2 ILE 18 22.863 11.473 15.608
146 HG23 ILE 18 3HG2 ILE 18 22.475 12.582 14.293
147 HD11 ILE 18 3HD1 ILE 18 20.528 10.454 11.817
148 HD12 ILE 18 1HD1 ILE 18 21.605 11.541 10.940
149 HD13 ILE 18 2HD1 ILE 18 21.842 9.796 10.843
Start of MODEL 4
1 H1 ASP 1 H ASP 1 0.363 0.319 0.166
2 HA ASP 1 HA ASP 1 1.493 -1.258 -1.742
3 HB2 ASP 1 2HB ASP 1 1.321 1.674 -1.340
4 HB3 ASP 1 3HB ASP 1 2.482 1.118 -2.542
5 HA PRO 2 HA PRO 2 5.768 -1.833 -0.956
6 HB2 PRO 2 2HB PRO 2 6.857 -1.618 -3.433
7 HB3 PRO 2 3HB PRO 2 5.879 -3.002 -2.931
8 HG2 PRO 2 2HG PRO 2 5.086 -0.608 -4.544
9 HG3 PRO 2 3HG PRO 2 4.679 -2.314 -4.800
10 HD2 PRO 2 2HD PRO 2 2.960 -0.562 -3.657
11 HD3 PRO 2 3HD PRO 2 3.003 -2.282 -3.219
12 H ARG 3 H ARG 3 4.736 1.100 -2.492
13 HA ARG 3 HA ARG 3 7.330 2.379 -2.176
14 HB2 ARG 3 2HB ARG 3 4.702 3.485 -3.182
15 HB3 ARG 3 3HB ARG 3 6.241 4.335 -3.206
16 HG2 ARG 3 2HG ARG 3 6.812 1.979 -4.505
17 HG3 ARG 3 3HG ARG 3 5.172 2.353 -5.041
18 HD2 ARG 3 2HD ARG 3 6.624 3.404 -6.582
19 HD3 ARG 3 3HD ARG 3 6.002 4.684 -5.541
20 HE ARG 3 HE ARG 3 8.326 3.966 -4.345
21 HH11 ARG 3 1HH1 ARG 3 7.475 4.917 -7.584
22 HH12 ARG 3 2HH1 ARG 3 9.016 5.635 -7.918
23 HH21 ARG 3 1HH2 ARG 3 10.360 4.907 -4.773
24 HH22 ARG 3 2HH2 ARG 3 10.657 5.627 -6.319
25 H ILE 4 H ILE 4 4.774 1.702 -0.208
26 HA ILE 4 HA ILE 4 4.959 4.199 1.316
27 HB ILE 4 HB ILE 4 3.054 1.872 1.575
28 HG12 ILE 4 2HG1 ILE 4 2.677 3.345 -0.373
29 HG13 ILE 4 3HG1 ILE 4 1.371 3.458 0.801
30 HG21 ILE 4 1HG2 ILE 4 1.865 3.404 3.187
31 HG22 ILE 4 2HG2 ILE 4 3.376 2.706 3.767
32 HG23 ILE 4 3HG2 ILE 4 3.334 4.380 3.213
33 HD11 ILE 4 3HD1 ILE 4 3.604 5.431 0.397
34 HD12 ILE 4 1HD1 ILE 4 1.906 5.645 -0.027
35 HD13 ILE 4 2HD1 ILE 4 2.386 5.533 1.667
36 H ALA 5 H ALA 5 5.866 0.858 1.396
37 HA ALA 5 HA ALA 5 6.475 0.846 4.223
38 HB1 ALA 5 1HB ALA 5 6.281 -1.115 2.101
39 HB2 ALA 5 2HB ALA 5 7.719 -1.358 3.094
40 HB3 ALA 5 3HB ALA 5 6.124 -1.319 3.846
41 H ALA 6 H ALA 6 8.160 1.347 1.203
42 HA ALA 6 HA ALA 6 10.798 0.977 2.023
43 HB1 ALA 6 1HB ALA 6 9.467 1.991 -0.257
44 HB2 ALA 6 2HB ALA 6 10.694 3.170 0.210
45 HB3 ALA 6 3HB ALA 6 11.153 1.496 -0.103
46 H ARG 7 H ARG 7 8.563 3.513 2.745
47 HA ARG 7 HA ARG 7 10.677 5.266 3.742
48 HB2 ARG 7 2HB ARG 7 8.164 5.728 2.579
49 HB3 ARG 7 3HB ARG 7 7.998 6.209 4.262
50 HG2 ARG 7 2HG ARG 7 10.117 7.565 3.930
51 HG3 ARG 7 3HG ARG 7 9.902 7.273 2.203
52 HD2 ARG 7 2HD ARG 7 7.418 8.129 3.309
53 HD3 ARG 7 3HD ARG 7 8.681 9.248 3.820
54 HE ARG 7 HE ARG 7 9.052 8.842 1.113
55 HH11 ARG 7 1HH1 ARG 7 6.555 10.094 3.192
56 HH12 ARG 7 2HH1 ARG 7 5.933 11.190 2.003
57 HH21 ARG 7 1HH2 ARG 7 8.242 10.281 -0.461
58 HH22 ARG 7 2HH2 ARG 7 6.893 11.295 -0.075
59 H GLY 8 H GLY 8 8.279 3.032 4.848
60 HA2 GLY 8 2HA GLY 8 8.057 3.963 7.524
61 HA3 GLY 8 3HA GLY 8 7.629 2.358 6.948
62 H ARG 9 H ARG 9 10.337 1.870 5.896
63 HA ARG 9 HA ARG 9 11.492 0.899 8.357
64 HB2 ARG 9 2HB ARG 9 11.420 -0.450 6.251
65 HB3 ARG 9 3HB ARG 9 12.573 0.674 5.545
66 HG2 ARG 9 2HG ARG 9 13.719 -0.109 7.960
67 HG3 ARG 9 3HG ARG 9 13.030 -1.581 7.272
68 HD2 ARG 9 2HD ARG 9 14.855 0.324 5.811
69 HD3 ARG 9 3HD ARG 9 15.368 -1.181 6.572
70 HE ARG 9 HE ARG 9 13.998 -0.885 4.064
71 HH11 ARG 9 1HH1 ARG 9 14.650 -3.023 6.734
72 HH12 ARG 9 2HH1 ARG 9 14.357 -4.465 5.820
73 HH21 ARG 9 1HH2 ARG 9 13.609 -2.777 2.851
74 HH22 ARG 9 2HH2 ARG 9 13.765 -4.324 3.611
75 H ALA 10 H ALA 10 12.205 3.348 5.940
76 HA ALA 10 HA ALA 10 14.820 3.985 6.613
77 HB1 ALA 10 1HB ALA 10 12.569 5.439 5.352
78 HB2 ALA 10 2HB ALA 10 13.928 6.403 5.931
79 HB3 ALA 10 3HB ALA 10 14.196 5.121 4.750
80 H ARG 11 H ARG 11 11.819 4.824 8.215
81 HA ARG 11 HA ARG 11 12.603 6.923 9.824
82 HB2 ARG 11 2HB ARG 11 10.299 5.903 9.640
83 HB3 ARG 11 3HB ARG 11 10.844 4.650 10.746
84 HG2 ARG 11 2HG ARG 11 11.284 6.344 12.452
85 HG3 ARG 11 3HG ARG 11 10.730 7.599 11.341
86 HD2 ARG 11 2HD ARG 11 8.922 5.303 11.892
87 HD3 ARG 11 3HD ARG 11 9.122 6.526 13.146
88 HE ARG 11 HE ARG 11 7.659 6.792 10.715
89 HH11 ARG 11 1HH1 ARG 11 9.577 8.545 13.032
90 HH12 ARG 11 2HH1 ARG 11 8.828 10.071 12.692
91 HH21 ARG 11 1HH2 ARG 11 6.666 8.794 10.259
92 HH22 ARG 11 2HH2 ARG 11 7.172 10.211 11.115
93 H LEU 12 H LEU 12 12.399 3.585 11.055
94 HA LEU 12 HA LEU 12 13.977 4.016 13.310
95 HB2 LEU 12 2HB LEU 12 13.706 1.426 11.796
96 HB3 LEU 12 3HB LEU 12 14.134 1.620 13.494
97 HG LEU 12 HG LEU 12 11.465 2.459 12.384
98 HD11 LEU 12 1HD1 LEU 12 11.909 -0.103 13.861
99 HD12 LEU 12 2HD1 LEU 12 12.093 -0.034 12.109
100 HD13 LEU 12 3HD1 LEU 12 10.549 0.386 12.850
101 HD21 LEU 12 3HD2 LEU 12 12.569 1.997 15.145
102 HD22 LEU 12 1HD2 LEU 12 10.843 2.123 14.806
103 HD23 LEU 12 2HD2 LEU 12 11.910 3.487 14.469
104 H ARG 13 H ARG 13 14.870 3.275 10.016
105 HA ARG 13 HA ARG 13 17.492 2.402 10.396
106 HB2 ARG 13 2HB ARG 13 15.985 2.645 8.234
107 HB3 ARG 13 3HB ARG 13 16.850 4.168 8.077
108 HG2 ARG 13 2HG ARG 13 18.136 1.453 8.289
109 HG3 ARG 13 3HG ARG 13 17.893 2.360 6.795
110 HD2 ARG 13 2HD ARG 13 19.163 4.228 8.216
111 HD3 ARG 13 3HD ARG 13 19.829 2.793 8.995
112 HE ARG 13 HE ARG 13 20.415 3.757 6.363
113 HH11 ARG 13 1HH1 ARG 13 20.251 0.919 8.372
114 HH12 ARG 13 2HH1 ARG 13 21.401 0.027 7.432
115 HH21 ARG 13 1HH2 ARG 13 21.930 2.593 5.116
116 HH22 ARG 13 2HH2 ARG 13 22.356 0.980 5.580
117 H ALA 14 H ALA 14 16.351 5.706 9.688
118 HA ALA 14 HA ALA 14 18.895 6.907 10.039
119 HB1 ALA 14 1HB ALA 14 17.764 9.003 9.866
120 HB2 ALA 14 2HB ALA 14 17.002 7.883 8.735
121 HB3 ALA 14 3HB ALA 14 16.214 8.262 10.266
122 H VAL 15 H VAL 15 16.128 6.414 12.178
123 HA VAL 15 HA VAL 15 17.029 7.982 14.332
124 HB VAL 15 HB VAL 15 15.298 5.508 14.448
125 HG11 VAL 15 1HG1 VAL 15 16.091 6.067 16.638
126 HG12 VAL 15 2HG1 VAL 15 15.711 7.773 16.394
127 HG13 VAL 15 3HG1 VAL 15 14.411 6.587 16.513
128 HG21 VAL 15 3HG2 VAL 15 13.668 6.681 13.496
129 HG22 VAL 15 1HG2 VAL 15 13.857 7.965 14.690
130 HG23 VAL 15 2HG2 VAL 15 14.811 7.992 13.207
131 H GLY 16 H GLY 16 17.846 4.759 13.283
132 HA2 GLY 16 2HA GLY 16 18.999 3.847 15.711
133 HA3 GLY 16 3HA GLY 16 19.304 3.187 14.111
134 H ALA 17 H ALA 17 20.258 5.702 13.008
135 HA ALA 17 HA ALA 17 22.995 5.488 13.872
136 HB1 ALA 17 1HB ALA 17 23.517 6.947 12.048
137 HB2 ALA 17 2HB ALA 17 22.322 5.775 11.491
138 HB3 ALA 17 3HB ALA 17 21.827 7.422 11.879
139 H ILE 18 H ILE 18 20.986 8.394 13.386
140 HA ILE 18 HA ILE 18 22.535 9.831 15.358
141 HB ILE 18 HB ILE 18 20.113 10.712 13.782
142 HG12 ILE 18 2HG1 ILE 18 22.524 12.040 13.030
143 HG13 ILE 18 3HG1 ILE 18 22.825 10.305 13.003
144 HG21 ILE 18 1HG2 ILE 18 20.137 12.206 15.522
145 HG22 ILE 18 2HG2 ILE 18 21.881 12.082 15.749
146 HG23 ILE 18 3HG2 ILE 18 21.232 13.007 14.394
147 HD11 ILE 18 3HD1 ILE 18 22.074 10.611 10.883
148 HD12 ILE 18 1HD1 ILE 18 20.542 10.284 11.691
149 HD13 ILE 18 2HD1 ILE 18 21.011 11.946 11.330
Start of MODEL 5
1 H1 ASP 1 H ASP 1 1.845 -0.877 0.906
2 HA ASP 1 HA ASP 1 1.803 -1.341 -1.697
3 HB2 ASP 1 2HB ASP 1 1.392 1.518 -1.317
4 HB3 ASP 1 3HB ASP 1 2.768 1.177 -2.362
5 HA PRO 2 HA PRO 2 6.118 -1.847 -1.097
6 HB2 PRO 2 2HB PRO 2 7.094 -1.616 -3.620
7 HB3 PRO 2 3HB PRO 2 6.161 -3.015 -3.075
8 HG2 PRO 2 2HG PRO 2 5.261 -0.635 -4.652
9 HG3 PRO 2 3HG PRO 2 4.870 -2.349 -4.891
10 HD2 PRO 2 2HD PRO 2 3.175 -0.624 -3.674
11 HD3 PRO 2 3HD PRO 2 3.264 -2.342 -3.238
12 H ARG 3 H ARG 3 4.993 1.059 -2.642
13 HA ARG 3 HA ARG 3 7.574 2.379 -2.392
14 HB2 ARG 3 2HB ARG 3 4.912 3.433 -3.366
15 HB3 ARG 3 3HB ARG 3 6.439 4.304 -3.431
16 HG2 ARG 3 2HG ARG 3 7.219 2.187 -4.775
17 HG3 ARG 3 3HG ARG 3 5.488 2.014 -5.070
18 HD2 ARG 3 2HD ARG 3 7.057 4.532 -5.599
19 HD3 ARG 3 3HD ARG 3 6.708 3.308 -6.820
20 HE ARG 3 HE ARG 3 4.306 4.119 -5.603
21 HH11 ARG 3 1HH1 ARG 3 6.770 5.309 -7.756
22 HH12 ARG 3 2HH1 ARG 3 5.702 6.387 -8.592
23 HH21 ARG 3 1HH2 ARG 3 2.891 5.534 -6.695
24 HH22 ARG 3 2HH2 ARG 3 3.496 6.515 -7.987
25 H ILE 4 H ILE 4 5.063 1.697 -0.368
26 HA ILE 4 HA ILE 4 5.239 4.219 1.115
27 HB ILE 4 HB ILE 4 3.372 1.868 1.443
28 HG12 ILE 4 2HG1 ILE 4 2.932 3.298 -0.519
29 HG13 ILE 4 3HG1 ILE 4 1.652 3.428 0.683
30 HG21 ILE 4 1HG2 ILE 4 3.766 4.341 3.085
31 HG22 ILE 4 2HG2 ILE 4 2.194 3.547 3.005
32 HG23 ILE 4 3HG2 ILE 4 3.596 2.668 3.614
33 HD11 ILE 4 3HD1 ILE 4 3.581 5.428 1.236
34 HD12 ILE 4 1HD1 ILE 4 3.199 5.486 -0.484
35 HD13 ILE 4 2HD1 ILE 4 1.908 5.619 0.711
36 H ALA 5 H ALA 5 6.195 0.892 1.229
37 HA ALA 5 HA ALA 5 6.854 0.931 4.044
38 HB1 ALA 5 1HB ALA 5 6.176 -1.175 3.301
39 HB2 ALA 5 2HB ALA 5 7.180 -1.091 1.854
40 HB3 ALA 5 3HB ALA 5 7.929 -1.314 3.435
41 H ALA 6 H ALA 6 8.478 1.409 0.988
42 HA ALA 6 HA ALA 6 11.135 1.089 1.766
43 HB1 ALA 6 1HB ALA 6 9.750 2.050 -0.505
44 HB2 ALA 6 2HB ALA 6 10.967 3.253 -0.078
45 HB3 ALA 6 3HB ALA 6 11.445 1.582 -0.374
46 H ARG 7 H ARG 7 8.877 3.605 2.489
47 HA ARG 7 HA ARG 7 10.983 5.402 3.422
48 HB2 ARG 7 2HB ARG 7 8.339 5.755 2.398
49 HB3 ARG 7 3HB ARG 7 8.400 6.423 4.024
50 HG2 ARG 7 2HG ARG 7 10.517 7.632 3.248
51 HG3 ARG 7 3HG ARG 7 9.999 7.206 1.616
52 HD2 ARG 7 2HD ARG 7 7.847 8.333 3.208
53 HD3 ARG 7 3HD ARG 7 9.219 9.430 3.063
54 HE ARG 7 HE ARG 7 8.397 8.260 0.568
55 HH11 ARG 7 1HH1 ARG 7 7.887 10.866 2.819
56 HH12 ARG 7 2HH1 ARG 7 7.221 11.936 1.630
57 HH21 ARG 7 1HH2 ARG 7 7.522 9.660 -1.006
58 HH22 ARG 7 2HH2 ARG 7 7.013 11.249 -0.545
59 H GLY 8 H GLY 8 8.637 3.152 4.604
60 HA2 GLY 8 2HA GLY 8 8.448 4.120 7.269
61 HA3 GLY 8 3HA GLY 8 8.034 2.501 6.725
62 H ARG 9 H ARG 9 10.731 2.037 5.632
63 HA ARG 9 HA ARG 9 11.930 1.071 8.062
64 HB2 ARG 9 2HB ARG 9 11.917 -0.228 5.933
65 HB3 ARG 9 3HB ARG 9 13.008 0.965 5.241
66 HG2 ARG 9 2HG ARG 9 14.794 0.079 6.242
67 HG3 ARG 9 3HG ARG 9 13.946 -0.129 7.775
68 HD2 ARG 9 2HD ARG 9 12.982 -2.181 7.056
69 HD3 ARG 9 3HD ARG 9 13.514 -1.920 5.395
70 HE ARG 9 HE ARG 9 15.800 -1.957 6.945
71 HH11 ARG 9 1HH1 ARG 9 13.189 -4.134 6.193
72 HH12 ARG 9 2HH1 ARG 9 14.153 -5.562 6.380
73 HH21 ARG 9 1HH2 ARG 9 17.078 -3.830 7.195
74 HH22 ARG 9 2HH2 ARG 9 16.365 -5.388 6.951
75 H ALA 10 H ALA 10 12.591 3.596 5.702
76 HA ALA 10 HA ALA 10 15.174 4.302 6.432
77 HB1 ALA 10 1HB ALA 10 13.857 5.189 4.489
78 HB2 ALA 10 2HB ALA 10 13.037 6.264 5.623
79 HB3 ALA 10 3HB ALA 10 14.779 6.399 5.382
80 H ARG 11 H ARG 11 12.090 5.219 7.888
81 HA ARG 11 HA ARG 11 12.897 7.230 9.595
82 HB2 ARG 11 2HB ARG 11 10.549 6.374 9.229
83 HB3 ARG 11 3HB ARG 11 10.930 5.066 10.341
84 HG2 ARG 11 2HG ARG 11 11.361 6.696 12.111
85 HG3 ARG 11 3HG ARG 11 10.972 8.005 10.994
86 HD2 ARG 11 2HD ARG 11 8.779 6.410 10.754
87 HD3 ARG 11 3HD ARG 11 9.204 6.170 12.448
88 HE ARG 11 HE ARG 11 9.186 8.930 11.710
89 HH11 ARG 11 1HH1 ARG 11 7.169 6.249 12.638
90 HH12 ARG 11 2HH1 ARG 11 5.912 7.250 13.285
91 HH21 ARG 11 1HH2 ARG 11 7.538 10.259 12.558
92 HH22 ARG 11 2HH2 ARG 11 6.122 9.530 13.238
93 H LEU 12 H LEU 12 12.385 3.893 10.732
94 HA LEU 12 HA LEU 12 13.767 4.136 13.116
95 HB2 LEU 12 2HB LEU 12 13.469 1.692 11.376
96 HB3 LEU 12 3HB LEU 12 13.972 1.678 13.065
97 HG LEU 12 HG LEU 12 11.296 2.718 12.153
98 HD11 LEU 12 1HD1 LEU 12 10.369 0.574 12.856
99 HD12 LEU 12 2HD1 LEU 12 11.995 -0.038 13.156
100 HD13 LEU 12 3HD1 LEU 12 11.496 0.372 11.515
101 HD21 LEU 12 3HD2 LEU 12 10.788 2.978 14.342
102 HD22 LEU 12 1HD2 LEU 12 12.537 3.157 14.486
103 HD23 LEU 12 2HD2 LEU 12 11.776 1.608 14.849
104 H ARG 13 H ARG 13 14.979 3.372 9.902
105 HA ARG 13 HA ARG 13 17.554 2.535 10.573
106 HB2 ARG 13 2HB ARG 13 16.270 2.690 8.264
107 HB3 ARG 13 3HB ARG 13 17.139 4.214 8.140
108 HG2 ARG 13 2HG ARG 13 18.410 1.519 8.575
109 HG3 ARG 13 3HG ARG 13 18.313 2.372 7.033
110 HD2 ARG 13 2HD ARG 13 19.406 4.281 8.621
111 HD3 ARG 13 3HD ARG 13 20.079 2.819 9.339
112 HE ARG 13 HE ARG 13 20.760 3.966 6.808
113 HH11 ARG 13 1HH1 ARG 13 20.558 0.987 8.599
114 HH12 ARG 13 2HH1 ARG 13 21.765 0.183 7.651
115 HH21 ARG 13 1HH2 ARG 13 22.350 2.918 5.552
116 HH22 ARG 13 2HH2 ARG 13 22.784 1.283 5.919
117 H ALA 14 H ALA 14 16.299 5.795 9.972
118 HA ALA 14 HA ALA 14 18.840 7.057 10.394
119 HB1 ALA 14 1HB ALA 14 17.629 9.144 10.202
120 HB2 ALA 14 2HB ALA 14 17.111 8.031 8.936
121 HB3 ALA 14 3HB ALA 14 16.090 8.295 10.350
122 H VAL 15 H VAL 15 15.838 6.778 12.281
123 HA VAL 15 HA VAL 15 16.638 8.272 14.500
124 HB VAL 15 HB VAL 15 14.777 5.892 14.443
125 HG11 VAL 15 1HG1 VAL 15 13.806 7.299 16.437
126 HG12 VAL 15 2HG1 VAL 15 15.136 6.168 16.692
127 HG13 VAL 15 3HG1 VAL 15 15.463 7.895 16.539
128 HG21 VAL 15 3HG2 VAL 15 14.532 8.609 13.464
129 HG22 VAL 15 1HG2 VAL 15 13.474 7.220 13.216
130 HG23 VAL 15 2HG2 VAL 15 13.291 8.222 14.656
131 H GLY 16 H GLY 16 17.370 4.986 13.571
132 HA2 GLY 16 2HA GLY 16 18.423 4.256 16.160
133 HA3 GLY 16 3HA GLY 16 18.503 3.297 14.690
134 H ALA 17 H ALA 17 19.669 5.626 13.217
135 HA ALA 17 HA ALA 17 22.402 4.976 13.641
136 HB1 ALA 17 1HB ALA 17 22.173 5.558 11.474
137 HB2 ALA 17 2HB ALA 17 20.875 6.705 11.806
138 HB3 ALA 17 3HB ALA 17 22.554 7.167 12.089
139 H ILE 18 H ILE 18 20.638 8.052 14.055
140 HA ILE 18 HA ILE 18 22.752 8.914 15.911
141 HB ILE 18 HB ILE 18 20.734 10.623 14.452
142 HG12 ILE 18 2HG1 ILE 18 23.339 11.267 13.640
143 HG13 ILE 18 3HG1 ILE 18 23.279 9.507 13.638
144 HG21 ILE 18 1HG2 ILE 18 21.429 11.578 16.582
145 HG22 ILE 18 2HG2 ILE 18 23.121 11.384 16.129
146 HG23 ILE 18 3HG2 ILE 18 22.092 12.503 15.235
147 HD11 ILE 18 3HD1 ILE 18 22.699 10.449 11.466
148 HD12 ILE 18 1HD1 ILE 18 21.351 9.557 12.170
149 HD13 ILE 18 2HD1 ILE 18 21.355 11.321 12.203
Start of MODEL 6
1 H1 ASP 1 H ASP 1 0.444 0.912 0.234
2 HA ASP 1 HA ASP 1 1.346 -0.921 -1.602
3 HB2 ASP 1 2HB ASP 1 1.315 2.008 -1.404
4 HB3 ASP 1 3HB ASP 1 2.575 1.378 -2.462
5 HA PRO 2 HA PRO 2 5.563 -1.832 -0.816
6 HB2 PRO 2 2HB PRO 2 6.631 -1.876 -3.311
7 HB3 PRO 2 3HB PRO 2 5.540 -3.130 -2.712
8 HG2 PRO 2 2HG PRO 2 4.943 -0.782 -4.470
9 HG3 PRO 2 3HG PRO 2 4.380 -2.457 -4.612
10 HD2 PRO 2 2HD PRO 2 2.843 -0.486 -3.570
11 HD3 PRO 2 3HD PRO 2 2.736 -2.171 -3.021
12 H ARG 3 H ARG 3 4.814 1.054 -2.618
13 HA ARG 3 HA ARG 3 7.508 2.115 -2.331
14 HB2 ARG 3 2HB ARG 3 5.020 3.359 -3.519
15 HB3 ARG 3 3HB ARG 3 6.633 4.059 -3.567
16 HG2 ARG 3 2HG ARG 3 6.992 1.537 -4.627
17 HG3 ARG 3 3HG ARG 3 5.427 2.045 -5.266
18 HD2 ARG 3 2HD ARG 3 8.055 3.502 -5.491
19 HD3 ARG 3 3HD ARG 3 7.145 2.738 -6.793
20 HE ARG 3 HE ARG 3 5.553 4.697 -5.538
21 HH11 ARG 3 1HH1 ARG 3 8.309 4.380 -7.641
22 HH12 ARG 3 2HH1 ARG 3 8.044 5.898 -8.432
23 HH21 ARG 3 1HH2 ARG 3 5.194 6.698 -6.572
24 HH22 ARG 3 2HH2 ARG 3 6.273 7.217 -7.822
25 H ILE 4 H ILE 4 4.850 1.858 -0.397
26 HA ILE 4 HA ILE 4 5.231 4.458 0.903
27 HB ILE 4 HB ILE 4 3.110 2.347 1.305
28 HG12 ILE 4 2HG1 ILE 4 2.913 3.656 -0.777
29 HG13 ILE 4 3HG1 ILE 4 1.603 4.012 0.343
30 HG21 ILE 4 1HG2 ILE 4 3.831 4.756 2.871
31 HG22 ILE 4 2HG2 ILE 4 2.116 4.445 2.606
32 HG23 ILE 4 3HG2 ILE 4 3.120 3.231 3.398
33 HD11 ILE 4 3HD1 ILE 4 2.102 6.161 0.285
34 HD12 ILE 4 1HD1 ILE 4 3.753 5.827 0.807
35 HD13 ILE 4 2HD1 ILE 4 3.350 5.813 -0.910
36 H ALA 5 H ALA 5 5.818 1.069 1.312
37 HA ALA 5 HA ALA 5 6.352 1.262 4.147
38 HB1 ALA 5 1HB ALA 5 7.058 -1.046 2.354
39 HB2 ALA 5 2HB ALA 5 6.761 -1.059 4.093
40 HB3 ALA 5 3HB ALA 5 5.427 -0.785 2.973
41 H ALA 6 H ALA 6 8.150 1.331 1.153
42 HA ALA 6 HA ALA 6 10.721 0.797 2.090
43 HB1 ALA 6 1HB ALA 6 10.867 2.816 0.088
44 HB2 ALA 6 2HB ALA 6 11.179 1.086 -0.060
45 HB3 ALA 6 3HB ALA 6 9.550 1.714 -0.314
46 H ARG 7 H ARG 7 8.717 3.582 2.508
47 HA ARG 7 HA ARG 7 10.962 5.218 3.416
48 HB2 ARG 7 2HB ARG 7 8.542 5.803 2.125
49 HB3 ARG 7 3HB ARG 7 8.362 6.438 3.755
50 HG2 ARG 7 2HG ARG 7 10.664 7.517 3.360
51 HG3 ARG 7 3HG ARG 7 10.356 7.185 1.655
52 HD2 ARG 7 2HD ARG 7 8.144 8.458 3.125
53 HD3 ARG 7 3HD ARG 7 9.592 9.445 2.928
54 HE ARG 7 HE ARG 7 9.084 8.416 0.439
55 HH11 ARG 7 1HH1 ARG 7 7.328 10.339 2.750
56 HH12 ARG 7 2HH1 ARG 7 6.408 11.180 1.546
57 HH21 ARG 7 1HH2 ARG 7 7.880 9.517 -1.154
58 HH22 ARG 7 2HH2 ARG 7 6.722 10.711 -0.674
59 H GLY 8 H GLY 8 8.335 3.325 4.635
60 HA2 GLY 8 2HA GLY 8 8.135 4.513 7.208
61 HA3 GLY 8 3HA GLY 8 7.572 2.909 6.764
62 H ARG 9 H ARG 9 10.238 2.066 5.853
63 HA ARG 9 HA ARG 9 11.221 1.183 8.408
64 HB2 ARG 9 2HB ARG 9 11.161 -0.299 6.422
65 HB3 ARG 9 3HB ARG 9 12.361 0.726 5.645
66 HG2 ARG 9 2HG ARG 9 13.258 -0.106 8.253
67 HG3 ARG 9 3HG ARG 9 12.826 -1.495 7.254
68 HD2 ARG 9 2HD ARG 9 14.271 -0.645 5.465
69 HD3 ARG 9 3HD ARG 9 14.709 0.730 6.478
70 HE ARG 9 HE ARG 9 16.128 -0.631 7.666
71 HH11 ARG 9 1HH1 ARG 9 14.054 -2.577 5.658
72 HH12 ARG 9 2HH1 ARG 9 14.929 -4.043 5.951
73 HH21 ARG 9 1HH2 ARG 9 17.288 -2.555 8.059
74 HH22 ARG 9 2HH2 ARG 9 16.768 -4.030 7.317
75 H ALA 10 H ALA 10 12.065 3.610 6.073
76 HA ALA 10 HA ALA 10 14.744 4.053 6.705
77 HB1 ALA 10 1HB ALA 10 13.525 6.559 6.177
78 HB2 ALA 10 2HB ALA 10 14.482 5.551 5.091
79 HB3 ALA 10 3HB ALA 10 12.733 5.344 5.174
80 H ARG 11 H ARG 11 11.837 4.905 8.419
81 HA ARG 11 HA ARG 11 12.676 6.981 10.030
82 HB2 ARG 11 2HB ARG 11 10.374 5.946 9.930
83 HB3 ARG 11 3HB ARG 11 10.977 4.678 10.988
84 HG2 ARG 11 2HG ARG 11 11.479 6.346 12.702
85 HG3 ARG 11 3HG ARG 11 10.868 7.616 11.640
86 HD2 ARG 11 2HD ARG 11 9.166 5.264 12.387
87 HD3 ARG 11 3HD ARG 11 9.305 6.661 13.453
88 HE ARG 11 HE ARG 11 8.674 7.718 11.016
89 HH11 ARG 11 1HH1 ARG 11 7.245 5.337 13.115
90 HH12 ARG 11 2HH1 ARG 11 5.623 5.668 12.603
91 HH21 ARG 11 1HH2 ARG 11 6.544 8.164 10.333
92 HH22 ARG 11 2HH2 ARG 11 5.226 7.276 11.020
93 H LEU 12 H LEU 12 12.552 3.621 11.209
94 HA LEU 12 HA LEU 12 14.229 4.029 13.397
95 HB2 LEU 12 2HB LEU 12 13.800 1.486 11.836
96 HB3 LEU 12 3HB LEU 12 14.465 1.595 13.464
97 HG LEU 12 HG LEU 12 11.643 2.242 12.618
98 HD11 LEU 12 1HD1 LEU 12 12.223 -0.159 12.770
99 HD12 LEU 12 2HD1 LEU 12 11.025 0.345 13.961
100 HD13 LEU 12 3HD1 LEU 12 12.701 0.095 14.449
101 HD21 LEU 12 3HD2 LEU 12 11.404 2.370 15.199
102 HD22 LEU 12 1HD2 LEU 12 12.009 3.770 14.314
103 HD23 LEU 12 2HD2 LEU 12 13.134 2.714 15.167
104 H ARG 13 H ARG 13 14.970 3.406 10.053
105 HA ARG 13 HA ARG 13 17.599 2.499 10.271
106 HB2 ARG 13 2HB ARG 13 15.997 2.851 8.194
107 HB3 ARG 13 3HB ARG 13 16.867 4.374 8.067
108 HG2 ARG 13 2HG ARG 13 18.138 1.644 8.095
109 HG3 ARG 13 3HG ARG 13 17.834 2.620 6.657
110 HD2 ARG 13 2HD ARG 13 19.184 4.413 8.106
111 HD3 ARG 13 3HD ARG 13 19.874 2.937 8.780
112 HE ARG 13 HE ARG 13 20.372 4.040 6.196
113 HH11 ARG 13 1HH1 ARG 13 20.168 1.061 7.985
114 HH12 ARG 13 2HH1 ARG 13 21.236 0.200 6.927
115 HH21 ARG 13 1HH2 ARG 13 21.781 2.918 4.796
116 HH22 ARG 13 2HH2 ARG 13 22.154 1.257 5.114
117 H ALA 14 H ALA 14 16.440 5.838 9.801
118 HA ALA 14 HA ALA 14 19.002 7.019 10.057
119 HB1 ALA 14 1HB ALA 14 17.543 8.404 8.957
120 HB2 ALA 14 2HB ALA 14 16.202 8.034 10.041
121 HB3 ALA 14 3HB ALA 14 17.497 9.105 10.575
122 H VAL 15 H VAL 15 16.261 6.815 12.327
123 HA VAL 15 HA VAL 15 17.443 8.097 14.490
124 HB VAL 15 HB VAL 15 15.471 5.808 14.566
125 HG11 VAL 15 1HG1 VAL 15 16.781 7.314 16.659
126 HG12 VAL 15 2HG1 VAL 15 15.027 7.494 16.729
127 HG13 VAL 15 3HG1 VAL 15 15.752 5.887 16.773
128 HG21 VAL 15 3HG2 VAL 15 14.010 8.004 15.067
129 HG22 VAL 15 1HG2 VAL 15 15.228 8.695 13.995
130 HG23 VAL 15 2HG2 VAL 15 14.237 7.342 13.449
131 H GLY 16 H GLY 16 17.929 4.880 13.254
132 HA2 GLY 16 2HA GLY 16 19.033 3.662 15.535
133 HA3 GLY 16 3HA GLY 16 19.354 3.191 13.873
134 H ALA 17 H ALA 17 20.708 5.194 12.784
135 HA ALA 17 HA ALA 17 23.272 4.988 14.015
136 HB1 ALA 17 1HB ALA 17 23.765 5.214 11.854
137 HB2 ALA 17 2HB ALA 17 22.192 5.923 11.488
138 HB3 ALA 17 3HB ALA 17 23.503 6.944 12.080
139 H ILE 18 H ILE 18 20.897 7.585 13.658
140 HA ILE 18 HA ILE 18 22.567 9.516 14.997
141 HB ILE 18 HB ILE 18 19.638 9.676 14.275
142 HG12 ILE 18 2HG1 ILE 18 21.972 10.953 12.851
143 HG13 ILE 18 3HG1 ILE 18 21.316 9.389 12.382
144 HG21 ILE 18 1HG2 ILE 18 21.587 11.798 15.159
145 HG22 ILE 18 2HG2 ILE 18 19.973 12.116 14.527
146 HG23 ILE 18 3HG2 ILE 18 20.169 11.229 16.039
147 HD11 ILE 18 3HD1 ILE 18 19.786 10.398 11.155
148 HD12 ILE 18 1HD1 ILE 18 19.164 11.223 12.584
149 HD13 ILE 18 2HD1 ILE 18 20.445 11.965 11.624
Start of MODEL 7
1 H1 ASP 1 H ASP 1 0.229 -0.390 0.861
2 HA ASP 1 HA ASP 1 1.297 -1.083 -1.134
3 HB2 ASP 1 2HB ASP 1 1.229 1.817 -0.621
4 HB3 ASP 1 3HB ASP 1 2.298 1.328 -1.933
5 HA PRO 2 HA PRO 2 5.611 -1.857 -1.017
6 HB2 PRO 2 2HB PRO 2 6.328 -1.595 -3.622
7 HB3 PRO 2 3HB PRO 2 5.374 -2.956 -3.021
8 HG2 PRO 2 2HG PRO 2 4.459 -0.475 -4.423
9 HG3 PRO 2 3HG PRO 2 3.941 -2.154 -4.667
10 HD2 PRO 2 2HD PRO 2 2.492 -0.377 -3.226
11 HD3 PRO 2 3HD PRO 2 2.522 -2.112 -2.851
12 H ARG 3 H ARG 3 4.606 1.104 -2.637
13 HA ARG 3 HA ARG 3 7.260 2.269 -2.379
14 HB2 ARG 3 2HB ARG 3 4.696 3.441 -3.474
15 HB3 ARG 3 3HB ARG 3 6.277 4.208 -3.539
16 HG2 ARG 3 2HG ARG 3 6.619 1.668 -4.665
17 HG3 ARG 3 3HG ARG 3 5.107 2.296 -5.323
18 HD2 ARG 3 2HD ARG 3 6.997 2.923 -6.727
19 HD3 ARG 3 3HD ARG 3 6.251 4.346 -6.001
20 HE ARG 3 HE ARG 3 8.274 3.670 -4.291
21 HH11 ARG 3 1HH1 ARG 3 8.045 4.429 -7.681
22 HH12 ARG 3 2HH1 ARG 3 9.637 5.106 -7.770
23 HH21 ARG 3 1HH2 ARG 3 10.372 4.559 -4.395
24 HH22 ARG 3 2HH2 ARG 3 10.960 5.179 -5.901
25 H ILE 4 H ILE 4 4.662 1.847 -0.395
26 HA ILE 4 HA ILE 4 4.966 4.422 0.972
27 HB ILE 4 HB ILE 4 2.944 2.214 1.360
28 HG12 ILE 4 2HG1 ILE 4 2.641 3.569 -0.678
29 HG13 ILE 4 3HG1 ILE 4 1.347 3.844 0.483
30 HG21 ILE 4 1HG2 ILE 4 3.614 4.593 2.987
31 HG22 ILE 4 2HG2 ILE 4 1.903 4.248 2.738
32 HG23 ILE 4 3HG2 ILE 4 2.948 3.034 3.475
33 HD11 ILE 4 3HD1 ILE 4 2.510 5.905 1.208
34 HD12 ILE 4 1HD1 ILE 4 3.689 5.644 -0.077
35 HD13 ILE 4 2HD1 ILE 4 1.996 5.934 -0.479
36 H ALA 5 H ALA 5 5.701 1.051 1.269
37 HA ALA 5 HA ALA 5 6.294 1.186 4.095
38 HB1 ALA 5 1HB ALA 5 5.987 -0.890 2.111
39 HB2 ALA 5 2HB ALA 5 7.432 -1.144 3.091
40 HB3 ALA 5 3HB ALA 5 5.857 -0.982 3.868
41 H ALA 6 H ALA 6 8.018 1.411 1.065
42 HA ALA 6 HA ALA 6 10.629 0.960 1.928
43 HB1 ALA 6 1HB ALA 6 11.023 1.325 -0.222
44 HB2 ALA 6 2HB ALA 6 9.365 1.895 -0.422
45 HB3 ALA 6 3HB ALA 6 10.647 3.037 -0.019
46 H ARG 7 H ARG 7 8.522 3.647 2.471
47 HA ARG 7 HA ARG 7 10.718 5.350 3.374
48 HB2 ARG 7 2HB ARG 7 8.262 5.875 2.143
49 HB3 ARG 7 3HB ARG 7 8.067 6.436 3.798
50 HG2 ARG 7 2HG ARG 7 10.239 7.697 3.483
51 HG3 ARG 7 3HG ARG 7 10.088 7.324 1.765
52 HD2 ARG 7 2HD ARG 7 7.638 8.394 2.925
53 HD3 ARG 7 3HD ARG 7 9.004 9.502 3.054
54 HE ARG 7 HE ARG 7 8.668 8.356 0.436
55 HH11 ARG 7 1HH1 ARG 7 7.754 10.942 2.579
56 HH12 ARG 7 2HH1 ARG 7 7.322 12.026 1.298
57 HH21 ARG 7 1HH2 ARG 7 8.104 9.774 -1.259
58 HH22 ARG 7 2HH2 ARG 7 7.521 11.360 -0.885
59 H GLY 8 H GLY 8 8.203 3.315 4.597
60 HA2 GLY 8 2HA GLY 8 8.014 4.422 7.207
61 HA3 GLY 8 3HA GLY 8 7.508 2.808 6.730
62 H ARG 9 H ARG 9 10.193 2.117 5.733
63 HA ARG 9 HA ARG 9 11.273 1.212 8.245
64 HB2 ARG 9 2HB ARG 9 11.208 -0.224 6.217
65 HB3 ARG 9 3HB ARG 9 12.368 0.853 5.450
66 HG2 ARG 9 2HG ARG 9 13.786 0.318 7.599
67 HG3 ARG 9 3HG ARG 9 12.763 -1.120 7.636
68 HD2 ARG 9 2HD ARG 9 13.602 -0.790 4.968
69 HD3 ARG 9 3HD ARG 9 15.027 -0.547 5.977
70 HE ARG 9 HE ARG 9 13.610 -3.007 5.546
71 HH11 ARG 9 1HH1 ARG 9 15.683 -1.247 7.719
72 HH12 ARG 9 2HH1 ARG 9 16.325 -2.671 8.469
73 HH21 ARG 9 1HH2 ARG 9 14.447 -4.889 6.525
74 HH22 ARG 9 2HH2 ARG 9 15.622 -4.742 7.788
75 H ALA 10 H ALA 10 12.003 3.671 5.887
76 HA ALA 10 HA ALA 10 14.662 4.219 6.453
77 HB1 ALA 10 1HB ALA 10 12.633 5.402 4.948
78 HB2 ALA 10 2HB ALA 10 13.188 6.662 6.051
79 HB3 ALA 10 3HB ALA 10 14.338 5.854 4.985
80 H ARG 11 H ARG 11 11.769 5.047 8.246
81 HA ARG 11 HA ARG 11 12.683 7.051 9.905
82 HB2 ARG 11 2HB ARG 11 10.350 6.089 9.797
83 HB3 ARG 11 3HB ARG 11 10.923 4.775 10.815
84 HG2 ARG 11 2HG ARG 11 11.489 6.379 12.570
85 HG3 ARG 11 3HG ARG 11 10.908 7.695 11.548
86 HD2 ARG 11 2HD ARG 11 9.088 5.407 12.111
87 HD3 ARG 11 3HD ARG 11 9.366 6.598 13.381
88 HE ARG 11 HE ARG 11 8.759 8.012 11.078
89 HH11 ARG 11 1HH1 ARG 11 7.209 5.694 13.163
90 HH12 ARG 11 2HH1 ARG 11 5.611 6.289 12.853
91 HH21 ARG 11 1HH2 ARG 11 6.661 8.804 10.662
92 HH22 ARG 11 2HH2 ARG 11 5.301 8.057 11.429
93 H LEU 12 H LEU 12 12.467 3.665 10.993
94 HA LEU 12 HA LEU 12 14.115 3.917 13.200
95 HB2 LEU 12 2HB LEU 12 13.969 1.438 11.506
96 HB3 LEU 12 3HB LEU 12 14.255 1.550 13.242
97 HG LEU 12 HG LEU 12 11.661 2.051 11.788
98 HD11 LEU 12 1HD1 LEU 12 12.693 -0.321 12.468
99 HD12 LEU 12 2HD1 LEU 12 10.965 0.027 12.517
100 HD13 LEU 12 3HD1 LEU 12 11.922 0.105 13.996
101 HD21 LEU 12 3HD2 LEU 12 10.905 2.136 14.312
102 HD22 LEU 12 1HD2 LEU 12 11.458 3.585 13.471
103 HD23 LEU 12 2HD2 LEU 12 12.554 2.718 14.547
104 H ARG 13 H ARG 13 14.955 3.491 9.837
105 HA ARG 13 HA ARG 13 17.603 2.651 10.089
106 HB2 ARG 13 2HB ARG 13 16.046 3.048 7.986
107 HB3 ARG 13 3HB ARG 13 16.873 4.599 7.948
108 HG2 ARG 13 2HG ARG 13 18.224 1.909 7.894
109 HG3 ARG 13 3HG ARG 13 17.929 2.937 6.491
110 HD2 ARG 13 2HD ARG 13 19.182 4.686 8.117
111 HD3 ARG 13 3HD ARG 13 19.934 3.179 8.639
112 HE ARG 13 HE ARG 13 20.377 4.552 6.179
113 HH11 ARG 13 1HH1 ARG 13 20.286 1.400 7.655
114 HH12 ARG 13 2HH1 ARG 13 21.378 0.690 6.512
115 HH21 ARG 13 1HH2 ARG 13 21.816 3.628 4.669
116 HH22 ARG 13 2HH2 ARG 13 22.248 1.958 4.815
117 H ALA 14 H ALA 14 16.464 5.988 9.522
118 HA ALA 14 HA ALA 14 18.919 7.247 9.911
119 HB1 ALA 14 1HB ALA 14 16.696 8.859 10.842
120 HB2 ALA 14 2HB ALA 14 17.759 9.092 9.454
121 HB3 ALA 14 3HB ALA 14 16.341 8.053 9.314
122 H VAL 15 H VAL 15 16.261 6.811 12.249
123 HA VAL 15 HA VAL 15 17.463 7.995 14.451
124 HB VAL 15 HB VAL 15 15.614 5.606 14.477
125 HG11 VAL 15 1HG1 VAL 15 16.255 7.644 16.606
126 HG12 VAL 15 2HG1 VAL 15 14.997 6.412 16.722
127 HG13 VAL 15 3HG1 VAL 15 16.692 5.936 16.622
128 HG21 VAL 15 3HG2 VAL 15 14.335 7.142 13.367
129 HG22 VAL 15 1HG2 VAL 15 13.983 7.610 15.030
130 HG23 VAL 15 2HG2 VAL 15 15.165 8.520 14.090
131 H GLY 16 H GLY 16 17.931 4.804 13.082
132 HA2 GLY 16 2HA GLY 16 19.322 3.689 15.300
133 HA3 GLY 16 3HA GLY 16 19.336 3.074 13.654
134 H ALA 17 H ALA 17 20.362 5.432 12.413
135 HA ALA 17 HA ALA 17 23.143 4.982 12.804
136 HB1 ALA 17 1HB ALA 17 22.008 7.320 11.307
137 HB2 ALA 17 2HB ALA 17 23.496 6.423 11.000
138 HB3 ALA 17 3HB ALA 17 21.932 5.682 10.658
139 H ILE 18 H ILE 18 20.869 7.351 13.981
140 HA ILE 18 HA ILE 18 23.008 8.996 15.098
141 HB ILE 18 HB ILE 18 20.023 9.424 15.248
142 HG12 ILE 18 2HG1 ILE 18 22.056 10.674 13.387
143 HG13 ILE 18 3HG1 ILE 18 20.873 9.455 12.925
144 HG21 ILE 18 1HG2 ILE 18 21.472 11.833 15.452
145 HG22 ILE 18 2HG2 ILE 18 20.507 11.036 16.693
146 HG23 ILE 18 3HG2 ILE 18 22.229 10.683 16.554
147 HD11 ILE 18 3HD1 ILE 18 20.511 12.337 13.497
148 HD12 ILE 18 1HD1 ILE 18 19.784 11.325 12.249
149 HD13 ILE 18 2HD1 ILE 18 19.194 11.240 13.909
Start of MODEL 8
1 H1 ASP 1 H ASP 1 0.463 0.639 0.104
2 HA ASP 1 HA ASP 1 1.286 -1.247 -1.869
3 HB2 ASP 1 2HB ASP 1 1.157 1.703 -1.634
4 HB3 ASP 1 3HB ASP 1 2.344 1.068 -2.770
5 HA PRO 2 HA PRO 2 5.532 -1.865 -0.964
6 HB2 PRO 2 2HB PRO 2 6.673 -1.810 -3.427
7 HB3 PRO 2 3HB PRO 2 5.656 -3.144 -2.869
8 HG2 PRO 2 2HG PRO 2 4.946 -0.827 -4.628
9 HG3 PRO 2 3HG PRO 2 4.507 -2.537 -4.798
10 HD2 PRO 2 2HD PRO 2 2.804 -0.689 -3.789
11 HD3 PRO 2 3HD PRO 2 2.801 -2.383 -3.255
12 H ARG 3 H ARG 3 4.570 1.010 -2.627
13 HA ARG 3 HA ARG 3 7.191 2.250 -2.378
14 HB2 ARG 3 2HB ARG 3 4.578 3.367 -3.412
15 HB3 ARG 3 3HB ARG 3 6.133 4.184 -3.479
16 HG2 ARG 3 2HG ARG 3 6.472 1.641 -4.662
17 HG3 ARG 3 3HG ARG 3 4.997 2.346 -5.327
18 HD2 ARG 3 2HD ARG 3 6.992 2.931 -6.643
19 HD3 ARG 3 3HD ARG 3 6.200 4.349 -5.957
20 HE ARG 3 HE ARG 3 8.167 3.578 -4.163
21 HH11 ARG 3 1HH1 ARG 3 7.967 4.705 -7.451
22 HH12 ARG 3 2HH1 ARG 3 9.520 5.473 -7.420
23 HH21 ARG 3 1HH2 ARG 3 10.213 4.585 -4.110
24 HH22 ARG 3 2HH2 ARG 3 10.797 5.403 -5.519
25 H ILE 4 H ILE 4 4.634 1.704 -0.370
26 HA ILE 4 HA ILE 4 4.877 4.256 1.051
27 HB ILE 4 HB ILE 4 2.930 1.978 1.415
28 HG12 ILE 4 2HG1 ILE 4 2.515 4.814 0.445
29 HG13 ILE 4 3HG1 ILE 4 2.587 3.393 -0.592
30 HG21 ILE 4 1HG2 ILE 4 3.217 4.566 2.928
31 HG22 ILE 4 2HG2 ILE 4 1.782 3.543 2.990
32 HG23 ILE 4 3HG2 ILE 4 3.330 2.927 3.569
33 HD11 ILE 4 3HD1 ILE 4 0.495 4.088 1.445
34 HD12 ILE 4 1HD1 ILE 4 0.307 3.924 -0.300
35 HD13 ILE 4 2HD1 ILE 4 0.621 2.499 0.691
36 H ALA 5 H ALA 5 5.720 0.903 1.262
37 HA ALA 5 HA ALA 5 6.348 0.994 4.083
38 HB1 ALA 5 1HB ALA 5 7.520 -1.287 3.175
39 HB2 ALA 5 2HB ALA 5 5.844 -1.160 3.711
40 HB3 ALA 5 3HB ALA 5 6.231 -1.057 1.993
41 H ALA 6 H ALA 6 8.022 1.337 1.035
42 HA ALA 6 HA ALA 6 10.658 0.949 1.854
43 HB1 ALA 6 1HB ALA 6 10.584 3.069 -0.045
44 HB2 ALA 6 2HB ALA 6 11.010 1.375 -0.293
45 HB3 ALA 6 3HB ALA 6 9.333 1.896 -0.458
46 H ARG 7 H ARG 7 8.477 3.557 2.484
47 HA ARG 7 HA ARG 7 10.632 5.307 3.396
48 HB2 ARG 7 2HB ARG 7 8.019 5.723 2.325
49 HB3 ARG 7 3HB ARG 7 8.072 6.424 3.937
50 HG2 ARG 7 2HG ARG 7 10.331 7.444 3.065
51 HG3 ARG 7 3HG ARG 7 9.582 7.173 1.490
52 HD2 ARG 7 2HD ARG 7 7.702 8.359 3.320
53 HD3 ARG 7 3HD ARG 7 9.172 9.329 3.228
54 HE ARG 7 HE ARG 7 8.202 8.566 0.650
55 HH11 ARG 7 1HH1 ARG 7 7.803 10.844 3.252
56 HH12 ARG 7 2HH1 ARG 7 7.143 12.085 2.239
57 HH21 ARG 7 1HH2 ARG 7 7.335 10.192 -0.695
58 HH22 ARG 7 2HH2 ARG 7 6.876 11.712 -0.006
59 H GLY 8 H GLY 8 8.198 3.168 4.606
60 HA2 GLY 8 2HA GLY 8 8.010 4.212 7.243
61 HA3 GLY 8 3HA GLY 8 7.549 2.593 6.736
62 H ARG 9 H ARG 9 10.234 2.000 5.692
63 HA ARG 9 HA ARG 9 11.393 1.131 8.192
64 HB2 ARG 9 2HB ARG 9 11.267 -0.365 6.218
65 HB3 ARG 9 3HB ARG 9 12.371 0.705 5.364
66 HG2 ARG 9 2HG ARG 9 14.029 -0.535 6.152
67 HG3 ARG 9 3HG ARG 9 13.670 0.124 7.749
68 HD2 ARG 9 2HD ARG 9 12.356 -1.723 8.339
69 HD3 ARG 9 3HD ARG 9 12.193 -2.251 6.665
70 HE ARG 9 HE ARG 9 14.367 -2.822 8.465
71 HH11 ARG 9 1HH1 ARG 9 13.368 -2.599 5.137
72 HH12 ARG 9 2HH1 ARG 9 14.600 -3.671 4.560
73 HH21 ARG 9 1HH2 ARG 9 15.994 -4.234 7.717
74 HH22 ARG 9 2HH2 ARG 9 16.093 -4.602 6.028
75 H ALA 10 H ALA 10 11.960 3.582 5.803
76 HA ALA 10 HA ALA 10 14.659 4.146 6.274
77 HB1 ALA 10 1HB ALA 10 12.704 5.168 4.648
78 HB2 ALA 10 2HB ALA 10 13.026 6.506 5.752
79 HB3 ALA 10 3HB ALA 10 14.341 5.804 4.810
80 H ARG 11 H ARG 11 11.763 5.076 8.023
81 HA ARG 11 HA ARG 11 12.694 7.156 9.578
82 HB2 ARG 11 2HB ARG 11 10.350 6.213 9.513
83 HB3 ARG 11 3HB ARG 11 10.907 4.948 10.600
84 HG2 ARG 11 2HG ARG 11 11.485 6.637 12.270
85 HG3 ARG 11 3HG ARG 11 10.920 7.903 11.179
86 HD2 ARG 11 2HD ARG 11 9.076 5.665 11.858
87 HD3 ARG 11 3HD ARG 11 9.362 6.920 13.063
88 HE ARG 11 HE ARG 11 7.801 7.150 10.688
89 HH11 ARG 11 1HH1 ARG 11 9.848 8.920 12.878
90 HH12 ARG 11 2HH1 ARG 11 9.118 10.452 12.529
91 HH21 ARG 11 1HH2 ARG 11 6.831 9.161 10.220
92 HH22 ARG 11 2HH2 ARG 11 7.402 10.588 11.018
93 H LEU 12 H LEU 12 12.439 3.834 10.841
94 HA LEU 12 HA LEU 12 14.104 4.200 13.029
95 HB2 LEU 12 2HB LEU 12 13.748 1.648 11.466
96 HB3 LEU 12 3HB LEU 12 14.270 1.790 13.143
97 HG LEU 12 HG LEU 12 11.574 2.788 12.298
98 HD11 LEU 12 1HD1 LEU 12 12.170 0.282 11.680
99 HD12 LEU 12 2HD1 LEU 12 10.599 0.734 12.342
100 HD13 LEU 12 3HD1 LEU 12 11.834 0.044 13.395
101 HD21 LEU 12 3HD2 LEU 12 12.984 2.117 14.824
102 HD22 LEU 12 1HD2 LEU 12 11.246 1.829 14.745
103 HD23 LEU 12 2HD2 LEU 12 11.886 3.448 14.457
104 H ARG 13 H ARG 13 14.896 3.541 9.695
105 HA ARG 13 HA ARG 13 17.516 2.630 9.968
106 HB2 ARG 13 2HB ARG 13 15.952 2.963 7.861
107 HB3 ARG 13 3HB ARG 13 16.827 4.483 7.731
108 HG2 ARG 13 2HG ARG 13 18.091 1.751 7.811
109 HG3 ARG 13 3HG ARG 13 17.813 2.711 6.356
110 HD2 ARG 13 2HD ARG 13 19.139 4.501 7.884
111 HD3 ARG 13 3HD ARG 13 19.855 2.996 8.462
112 HE ARG 13 HE ARG 13 20.205 4.208 5.871
113 HH11 ARG 13 1HH1 ARG 13 20.387 1.269 7.728
114 HH12 ARG 13 2HH1 ARG 13 21.520 0.510 6.659
115 HH21 ARG 13 1HH2 ARG 13 21.696 3.220 4.456
116 HH22 ARG 13 2HH2 ARG 13 22.264 1.621 4.798
117 H ALA 14 H ALA 14 16.307 5.956 9.629
118 HA ALA 14 HA ALA 14 18.871 7.169 9.802
119 HB1 ALA 14 1HB ALA 14 17.418 8.612 8.818
120 HB2 ALA 14 2HB ALA 14 16.061 8.114 9.829
121 HB3 ALA 14 3HB ALA 14 17.294 9.196 10.478
122 H VAL 15 H VAL 15 16.325 6.488 12.160
123 HA VAL 15 HA VAL 15 17.395 7.875 14.339
124 HB VAL 15 HB VAL 15 15.785 5.318 14.391
125 HG11 VAL 15 1HG1 VAL 15 15.079 6.247 16.646
126 HG12 VAL 15 2HG1 VAL 15 16.717 5.598 16.538
127 HG13 VAL 15 3HG1 VAL 15 16.454 7.342 16.511
128 HG21 VAL 15 3HG2 VAL 15 14.170 7.486 15.069
129 HG22 VAL 15 1HG2 VAL 15 15.102 8.029 13.673
130 HG23 VAL 15 2HG2 VAL 15 14.131 6.561 13.568
131 H GLY 16 H GLY 16 18.090 4.665 13.071
132 HA2 GLY 16 2HA GLY 16 19.583 3.678 15.238
133 HA3 GLY 16 3HA GLY 16 19.741 3.151 13.570
134 H ALA 17 H ALA 17 20.407 5.958 12.751
135 HA ALA 17 HA ALA 17 23.224 5.717 12.904
136 HB1 ALA 17 1HB ALA 17 21.962 6.814 11.050
137 HB2 ALA 17 2HB ALA 17 21.666 8.177 12.131
138 HB3 ALA 17 3HB ALA 17 23.316 7.760 11.669
139 H ILE 18 H ILE 18 21.022 8.146 14.314
140 HA ILE 18 HA ILE 18 23.133 9.144 16.027
141 HB ILE 18 HB ILE 18 20.214 9.916 15.933
142 HG12 ILE 18 2HG1 ILE 18 21.817 11.990 14.941
143 HG13 ILE 18 3HG1 ILE 18 22.447 10.527 14.193
144 HG21 ILE 18 1HG2 ILE 18 21.220 12.041 16.995
145 HG22 ILE 18 2HG2 ILE 18 20.965 10.624 18.013
146 HG23 ILE 18 3HG2 ILE 18 22.580 10.999 17.413
147 HD11 ILE 18 3HD1 ILE 18 20.549 10.156 12.999
148 HD12 ILE 18 1HD1 ILE 18 19.511 10.940 14.190
149 HD13 ILE 18 2HD1 ILE 18 20.499 11.916 13.103
Start of MODEL 9
1 H1 ASP 1 H ASP 1 1.296 0.345 0.557
2 HA ASP 1 HA ASP 1 1.409 -1.403 -1.794
3 HB2 ASP 1 2HB ASP 1 1.144 1.496 -1.819
4 HB3 ASP 1 3HB ASP 1 2.590 0.958 -2.669
5 HA PRO 2 HA PRO 2 5.614 -2.056 -0.735
6 HB2 PRO 2 2HB PRO 2 6.816 -2.210 -3.164
7 HB3 PRO 2 3HB PRO 2 5.750 -3.474 -2.537
8 HG2 PRO 2 2HG PRO 2 5.146 -1.276 -4.478
9 HG3 PRO 2 3HG PRO 2 4.666 -2.982 -4.535
10 HD2 PRO 2 2HD PRO 2 2.988 -1.024 -3.708
11 HD3 PRO 2 3HD PRO 2 2.928 -2.673 -3.053
12 H ARG 3 H ARG 3 4.775 0.708 -2.641
13 HA ARG 3 HA ARG 3 7.419 1.899 -2.400
14 HB2 ARG 3 2HB ARG 3 4.871 2.995 -3.603
15 HB3 ARG 3 3HB ARG 3 6.449 3.766 -3.681
16 HG2 ARG 3 2HG ARG 3 7.050 1.354 -4.715
17 HG3 ARG 3 3HG ARG 3 5.366 1.507 -5.219
18 HD2 ARG 3 2HD ARG 3 6.774 2.407 -6.944
19 HD3 ARG 3 3HD ARG 3 5.908 3.733 -6.170
20 HE ARG 3 HE ARG 3 8.273 3.609 -4.827
21 HH11 ARG 3 1HH1 ARG 3 7.378 3.908 -8.178
22 HH12 ARG 3 2HH1 ARG 3 8.787 4.821 -8.608
23 HH21 ARG 3 1HH2 ARG 3 10.131 4.812 -5.380
24 HH22 ARG 3 2HH2 ARG 3 10.352 5.334 -7.015
25 H ILE 4 H ILE 4 4.787 1.572 -0.442
26 HA ILE 4 HA ILE 4 5.054 4.220 0.786
27 HB ILE 4 HB ILE 4 3.034 2.027 1.258
28 HG12 ILE 4 2HG1 ILE 4 2.723 4.790 0.064
29 HG13 ILE 4 3HG1 ILE 4 2.800 3.296 -0.863
30 HG21 ILE 4 1HG2 ILE 4 1.881 3.755 2.660
31 HG22 ILE 4 2HG2 ILE 4 3.375 3.117 3.345
32 HG23 ILE 4 3HG2 ILE 4 3.362 4.708 2.585
33 HD11 ILE 4 3HD1 ILE 4 0.766 2.526 0.332
34 HD12 ILE 4 1HD1 ILE 4 0.663 4.117 1.085
35 HD13 ILE 4 2HD1 ILE 4 0.519 3.959 -0.666
36 H ALA 5 H ALA 5 5.798 0.874 1.281
37 HA ALA 5 HA ALA 5 6.338 1.167 4.106
38 HB1 ALA 5 1HB ALA 5 6.877 -1.118 2.214
39 HB2 ALA 5 2HB ALA 5 7.119 -1.166 3.961
40 HB3 ALA 5 3HB ALA 5 5.497 -0.953 3.300
41 H ALA 6 H ALA 6 8.118 1.229 1.100
42 HA ALA 6 HA ALA 6 10.714 0.842 2.036
43 HB1 ALA 6 1HB ALA 6 11.146 1.085 -0.124
44 HB2 ALA 6 2HB ALA 6 9.491 1.636 -0.387
45 HB3 ALA 6 3HB ALA 6 10.762 2.804 -0.025
46 H ARG 7 H ARG 7 8.586 3.544 2.386
47 HA ARG 7 HA ARG 7 10.757 5.308 3.230
48 HB2 ARG 7 2HB ARG 7 8.211 5.707 2.023
49 HB3 ARG 7 3HB ARG 7 8.192 6.505 3.590
50 HG2 ARG 7 2HG ARG 7 10.545 7.391 2.731
51 HG3 ARG 7 3HG ARG 7 9.776 7.113 1.167
52 HD2 ARG 7 2HD ARG 7 7.870 8.392 2.804
53 HD3 ARG 7 3HD ARG 7 9.389 9.261 3.015
54 HE ARG 7 HE ARG 7 8.720 8.727 0.268
55 HH11 ARG 7 1HH1 ARG 7 8.335 10.919 2.946
56 HH12 ARG 7 2HH1 ARG 7 7.985 12.288 1.943
57 HH21 ARG 7 1HH2 ARG 7 8.260 10.522 -1.062
58 HH22 ARG 7 2HH2 ARG 7 7.942 12.061 -0.336
59 H GLY 8 H GLY 8 8.230 3.330 4.522
60 HA2 GLY 8 2HA GLY 8 7.987 4.583 7.061
61 HA3 GLY 8 3HA GLY 8 7.500 2.941 6.668
62 H ARG 9 H ARG 9 10.200 2.202 5.764
63 HA ARG 9 HA ARG 9 11.236 1.433 8.332
64 HB2 ARG 9 2HB ARG 9 11.260 -0.104 6.401
65 HB3 ARG 9 3HB ARG 9 12.370 0.976 5.567
66 HG2 ARG 9 2HG ARG 9 14.153 0.322 6.798
67 HG3 ARG 9 3HG ARG 9 13.188 0.038 8.248
68 HD2 ARG 9 2HD ARG 9 12.314 -2.018 7.280
69 HD3 ARG 9 3HD ARG 9 13.228 -1.725 5.801
70 HE ARG 9 HE ARG 9 14.209 -2.876 8.209
71 HH11 ARG 9 1HH1 ARG 9 15.111 -0.845 5.529
72 HH12 ARG 9 2HH1 ARG 9 16.795 -1.243 5.625
73 HH21 ARG 9 1HH2 ARG 9 16.423 -3.407 8.346
74 HH22 ARG 9 2HH2 ARG 9 17.540 -2.701 7.228
75 H ALA 10 H ALA 10 12.001 3.804 5.894
76 HA ALA 10 HA ALA 10 14.630 4.421 6.487
77 HB1 ALA 10 1HB ALA 10 12.365 6.195 5.605
78 HB2 ALA 10 2HB ALA 10 14.038 6.745 5.718
79 HB3 ALA 10 3HB ALA 10 13.611 5.444 4.607
80 H ARG 11 H ARG 11 11.683 5.393 8.158
81 HA ARG 11 HA ARG 11 12.641 7.381 9.813
82 HB2 ARG 11 2HB ARG 11 10.260 6.559 9.616
83 HB3 ARG 11 3HB ARG 11 10.704 5.239 10.690
84 HG2 ARG 11 2HG ARG 11 11.287 6.851 12.432
85 HG3 ARG 11 3HG ARG 11 10.834 8.173 11.354
86 HD2 ARG 11 2HD ARG 11 8.581 6.763 11.225
87 HD3 ARG 11 3HD ARG 11 9.130 6.232 12.814
88 HE ARG 11 HE ARG 11 9.202 9.079 12.492
89 HH11 ARG 11 1HH1 ARG 11 7.180 6.358 13.284
90 HH12 ARG 11 2HH1 ARG 11 6.063 7.295 14.220
91 HH21 ARG 11 1HH2 ARG 11 7.738 10.323 13.721
92 HH22 ARG 11 2HH2 ARG 11 6.381 9.550 14.468
93 H LEU 12 H LEU 12 12.168 4.043 10.966
94 HA LEU 12 HA LEU 12 13.751 4.270 13.234
95 HB2 LEU 12 2HB LEU 12 13.293 1.792 11.579
96 HB3 LEU 12 3HB LEU 12 13.813 1.837 13.262
97 HG LEU 12 HG LEU 12 11.149 2.877 12.310
98 HD11 LEU 12 1HD1 LEU 12 11.932 0.163 13.342
99 HD12 LEU 12 2HD1 LEU 12 11.110 0.561 11.833
100 HD13 LEU 12 3HD1 LEU 12 10.275 0.767 13.373
101 HD21 LEU 12 3HD2 LEU 12 11.396 3.851 14.349
102 HD22 LEU 12 1HD2 LEU 12 12.525 2.624 14.924
103 HD23 LEU 12 2HD2 LEU 12 10.796 2.279 14.878
104 H ARG 13 H ARG 13 14.647 3.561 9.923
105 HA ARG 13 HA ARG 13 17.220 2.561 10.324
106 HB2 ARG 13 2HB ARG 13 15.754 2.902 8.147
107 HB3 ARG 13 3HB ARG 13 16.691 4.385 8.021
108 HG2 ARG 13 2HG ARG 13 17.845 1.610 8.212
109 HG3 ARG 13 3HG ARG 13 17.664 2.546 6.727
110 HD2 ARG 13 2HD ARG 13 19.433 3.123 9.090
111 HD3 ARG 13 3HD ARG 13 19.910 2.821 7.419
112 HE ARG 13 HE ARG 13 19.135 5.318 8.552
113 HH11 ARG 13 1HH1 ARG 13 19.072 3.436 5.624
114 HH12 ARG 13 2HH1 ARG 13 19.002 4.819 4.582
115 HH21 ARG 13 1HH2 ARG 13 19.043 7.146 7.191
116 HH22 ARG 13 2HH2 ARG 13 18.986 6.929 5.475
117 H ALA 14 H ALA 14 16.202 5.924 9.730
118 HA ALA 14 HA ALA 14 18.742 7.084 9.954
119 HB1 ALA 14 1HB ALA 14 17.673 9.025 9.607
120 HB2 ALA 14 2HB ALA 14 16.262 8.004 9.329
121 HB3 ALA 14 3HB ALA 14 16.520 8.739 10.911
122 H VAL 15 H VAL 15 16.296 6.350 12.389
123 HA VAL 15 HA VAL 15 17.530 7.697 14.544
124 HB VAL 15 HB VAL 15 15.695 5.297 14.622
125 HG11 VAL 15 1HG1 VAL 15 16.908 6.997 16.717
126 HG12 VAL 15 2HG1 VAL 15 15.205 6.579 16.917
127 HG13 VAL 15 3HG1 VAL 15 16.417 5.305 16.771
128 HG21 VAL 15 3HG2 VAL 15 15.242 8.205 14.279
129 HG22 VAL 15 1HG2 VAL 15 14.325 6.832 13.660
130 HG23 VAL 15 2HG2 VAL 15 14.131 7.337 15.338
131 H GLY 16 H GLY 16 17.625 4.285 13.526
132 HA2 GLY 16 2HA GLY 16 19.410 3.469 15.583
133 HA3 GLY 16 3HA GLY 16 19.037 2.570 14.120
134 H ALA 17 H ALA 17 19.883 4.901 12.450
135 HA ALA 17 HA ALA 17 22.495 4.106 11.897
136 HB1 ALA 17 1HB ALA 17 22.073 5.333 10.101
137 HB2 ALA 17 2HB ALA 17 20.645 6.012 10.883
138 HB3 ALA 17 3HB ALA 17 22.212 6.799 11.072
139 H ILE 18 H ILE 18 21.442 7.123 13.490
140 HA ILE 18 HA ILE 18 24.090 7.839 14.267
141 HB ILE 18 HB ILE 18 21.462 8.875 15.337
142 HG12 ILE 18 2HG1 ILE 18 23.234 10.018 13.169
143 HG13 ILE 18 3HG1 ILE 18 21.750 9.120 12.871
144 HG21 ILE 18 1HG2 ILE 18 23.213 9.440 16.851
145 HG22 ILE 18 2HG2 ILE 18 24.278 9.921 15.531
146 HG23 ILE 18 3HG2 ILE 18 22.848 10.883 15.906
147 HD11 ILE 18 3HD1 ILE 18 20.719 11.080 12.894
148 HD12 ILE 18 1HD1 ILE 18 20.980 11.093 14.638
149 HD13 ILE 18 2HD1 ILE 18 22.129 11.898 13.568
Start of MODEL 10
1 H1 ASP 1 H ASP 1 -0.294 0.412 -0.054
2 HA ASP 1 HA ASP 1 0.995 -0.781 -1.641
3 HB2 ASP 1 2HB ASP 1 1.288 2.174 -1.739
4 HB3 ASP 1 3HB ASP 1 2.328 1.236 -2.807
5 HA PRO 2 HA PRO 2 5.124 -1.826 -0.598
6 HB2 PRO 2 2HB PRO 2 6.270 -2.196 -3.031
7 HB3 PRO 2 3HB PRO 2 5.089 -3.318 -2.345
8 HG2 PRO 2 2HG PRO 2 4.687 -1.145 -4.365
9 HG3 PRO 2 3HG PRO 2 4.033 -2.794 -4.350
10 HD2 PRO 2 2HD PRO 2 2.578 -0.642 -3.585
11 HD3 PRO 2 3HD PRO 2 2.357 -2.249 -2.865
12 H ARG 3 H ARG 3 4.555 0.929 -2.620
13 HA ARG 3 HA ARG 3 7.309 1.851 -2.438
14 HB2 ARG 3 2HB ARG 3 4.879 3.150 -3.683
15 HB3 ARG 3 3HB ARG 3 6.528 3.750 -3.799
16 HG2 ARG 3 2HG ARG 3 6.990 1.363 -4.784
17 HG3 ARG 3 3HG ARG 3 5.260 1.414 -5.130
18 HD2 ARG 3 2HD ARG 3 6.480 3.903 -5.868
19 HD3 ARG 3 3HD ARG 3 7.356 2.565 -6.611
20 HE ARG 3 HE ARG 3 4.581 2.198 -6.952
21 HH11 ARG 3 1HH1 ARG 3 7.216 4.179 -8.071
22 HH12 ARG 3 2HH1 ARG 3 6.501 4.485 -9.619
23 HH21 ARG 3 1HH2 ARG 3 3.629 2.593 -8.987
24 HH22 ARG 3 2HH2 ARG 3 4.460 3.582 -10.139
25 H ILE 4 H ILE 4 4.671 1.883 -0.462
26 HA ILE 4 HA ILE 4 5.218 4.541 0.647
27 HB ILE 4 HB ILE 4 2.987 2.589 1.221
28 HG12 ILE 4 2HG1 ILE 4 2.954 5.314 -0.095
29 HG13 ILE 4 3HG1 ILE 4 2.866 3.780 -0.953
30 HG21 ILE 4 1HG2 ILE 4 3.456 3.732 3.258
31 HG22 ILE 4 2HG2 ILE 4 3.597 5.280 2.426
32 HG23 ILE 4 3HG2 ILE 4 2.027 4.485 2.550
33 HD11 ILE 4 3HD1 ILE 4 0.771 3.279 0.263
34 HD12 ILE 4 1HD1 ILE 4 0.845 4.890 0.976
35 HD13 ILE 4 2HD1 ILE 4 0.670 4.706 -0.769
36 H ALA 5 H ALA 5 5.618 1.161 1.288
37 HA ALA 5 HA ALA 5 6.205 1.521 4.097
38 HB1 ALA 5 1HB ALA 5 7.081 -0.981 3.540
39 HB2 ALA 5 2HB ALA 5 5.413 -0.578 3.948
40 HB3 ALA 5 3HB ALA 5 5.890 -0.750 2.259
41 H ALA 6 H ALA 6 7.960 1.272 1.086
42 HA ALA 6 HA ALA 6 10.510 0.660 2.031
43 HB1 ALA 6 1HB ALA 6 9.356 1.472 -0.420
44 HB2 ALA 6 2HB ALA 6 10.741 2.520 -0.113
45 HB3 ALA 6 3HB ALA 6 10.949 0.769 -0.140
46 H ARG 7 H ARG 7 8.672 3.579 2.270
47 HA ARG 7 HA ARG 7 11.019 5.144 3.033
48 HB2 ARG 7 2HB ARG 7 8.581 5.765 1.760
49 HB3 ARG 7 3HB ARG 7 8.531 6.562 3.327
50 HG2 ARG 7 2HG ARG 7 10.861 7.444 2.744
51 HG3 ARG 7 3HG ARG 7 10.490 6.940 1.094
52 HD2 ARG 7 2HD ARG 7 8.295 8.415 2.244
53 HD3 ARG 7 3HD ARG 7 9.791 9.344 2.331
54 HE ARG 7 HE ARG 7 9.653 8.328 -0.234
55 HH11 ARG 7 1HH1 ARG 7 7.768 10.449 1.782
56 HH12 ARG 7 2HH1 ARG 7 7.158 11.382 0.456
57 HH21 ARG 7 1HH2 ARG 7 8.856 9.548 -1.989
58 HH22 ARG 7 2HH2 ARG 7 7.777 10.868 -1.689
59 H GLY 8 H GLY 8 8.309 3.495 4.414
60 HA2 GLY 8 2HA GLY 8 8.214 4.872 6.897
61 HA3 GLY 8 3HA GLY 8 7.556 3.275 6.575
62 H ARG 9 H ARG 9 10.168 2.234 5.694
63 HA ARG 9 HA ARG 9 11.122 1.435 8.279
64 HB2 ARG 9 2HB ARG 9 11.017 -0.103 6.325
65 HB3 ARG 9 3HB ARG 9 12.287 0.838 5.555
66 HG2 ARG 9 2HG ARG 9 13.465 0.287 7.915
67 HG3 ARG 9 3HG ARG 9 12.444 -1.139 7.724
68 HD2 ARG 9 2HD ARG 9 13.394 -1.297 5.364
69 HD3 ARG 9 3HD ARG 9 14.599 -0.124 5.893
70 HE ARG 9 HE ARG 9 14.498 -2.907 6.553
71 HH11 ARG 9 1HH1 ARG 9 15.547 0.227 7.647
72 HH12 ARG 9 2HH1 ARG 9 16.805 -0.403 8.659
73 HH21 ARG 9 1HH2 ARG 9 16.150 -3.749 7.881
74 HH22 ARG 9 2HH2 ARG 9 17.147 -2.664 8.790
75 H ALA 10 H ALA 10 12.085 3.722 5.844
76 HA ALA 10 HA ALA 10 14.769 4.096 6.512
77 HB1 ALA 10 1HB ALA 10 13.526 6.595 5.814
78 HB2 ALA 10 2HB ALA 10 14.655 5.606 4.887
79 HB3 ALA 10 3HB ALA 10 12.922 5.293 4.789
80 H ARG 11 H ARG 11 11.849 5.216 8.067
81 HA ARG 11 HA ARG 11 12.772 7.317 9.597
82 HB2 ARG 11 2HB ARG 11 10.406 6.442 9.453
83 HB3 ARG 11 3HB ARG 11 10.874 5.198 10.604
84 HG2 ARG 11 2HG ARG 11 11.427 6.922 12.246
85 HG3 ARG 11 3HG ARG 11 10.952 8.168 11.090
86 HD2 ARG 11 2HD ARG 11 9.125 5.997 12.107
87 HD3 ARG 11 3HD ARG 11 9.202 7.627 12.774
88 HE ARG 11 HE ARG 11 8.738 8.052 10.142
89 HH11 ARG 11 1HH1 ARG 11 7.188 6.091 12.565
90 HH12 ARG 11 2HH1 ARG 11 5.617 6.211 11.844
91 HH21 ARG 11 1HH2 ARG 11 6.675 8.217 9.183
92 HH22 ARG 11 2HH2 ARG 11 5.327 7.420 9.919
93 H LEU 12 H LEU 12 12.358 4.047 10.951
94 HA LEU 12 HA LEU 12 13.961 4.453 13.189
95 HB2 LEU 12 2HB LEU 12 13.449 1.867 11.727
96 HB3 LEU 12 3HB LEU 12 14.038 2.017 13.381
97 HG LEU 12 HG LEU 12 11.353 3.058 12.502
98 HD11 LEU 12 1HD1 LEU 12 10.888 0.812 14.014
99 HD12 LEU 12 2HD1 LEU 12 12.222 0.320 12.971
100 HD13 LEU 12 3HD1 LEU 12 10.728 0.932 12.261
101 HD21 LEU 12 3HD2 LEU 12 10.982 2.665 15.024
102 HD22 LEU 12 1HD2 LEU 12 11.911 4.074 14.515
103 HD23 LEU 12 2HD2 LEU 12 12.743 2.643 15.123
104 H ARG 13 H ARG 13 14.810 3.532 9.925
105 HA ARG 13 HA ARG 13 17.380 2.535 10.350
106 HB2 ARG 13 2HB ARG 13 15.889 2.765 8.176
107 HB3 ARG 13 3HB ARG 13 16.836 4.230 7.954
108 HG2 ARG 13 2HG ARG 13 17.972 1.462 8.287
109 HG3 ARG 13 3HG ARG 13 17.778 2.314 6.754
110 HD2 ARG 13 2HD ARG 13 19.551 3.065 9.069
111 HD3 ARG 13 3HD ARG 13 20.047 2.569 7.452
112 HE ARG 13 HE ARG 13 18.511 4.810 7.079
113 HH11 ARG 13 1HH1 ARG 13 21.399 4.023 8.857
114 HH12 ARG 13 2HH1 ARG 13 22.068 5.616 8.729
115 HH21 ARG 13 1HH2 ARG 13 19.382 6.911 6.904
116 HH22 ARG 13 2HH2 ARG 13 20.920 7.258 7.619
117 H ALA 14 H ALA 14 16.391 5.867 9.558
118 HA ALA 14 HA ALA 14 18.930 7.024 9.676
119 HB1 ALA 14 1HB ALA 14 16.779 8.759 10.622
120 HB2 ALA 14 2HB ALA 14 17.849 8.931 9.229
121 HB3 ALA 14 3HB ALA 14 16.408 7.920 9.115
122 H VAL 15 H VAL 15 16.535 6.468 12.214
123 HA VAL 15 HA VAL 15 17.709 7.916 14.279
124 HB VAL 15 HB VAL 15 16.261 5.283 14.579
125 HG11 VAL 15 1HG1 VAL 15 15.727 6.009 16.789
126 HG12 VAL 15 2HG1 VAL 15 17.470 6.184 16.578
127 HG13 VAL 15 3HG1 VAL 15 16.423 7.602 16.495
128 HG21 VAL 15 3HG2 VAL 15 14.621 6.401 13.497
129 HG22 VAL 15 1HG2 VAL 15 14.381 7.139 15.082
130 HG23 VAL 15 2HG2 VAL 15 15.318 7.983 13.848
131 H GLY 16 H GLY 16 18.541 4.791 12.947
132 HA2 GLY 16 2HA GLY 16 20.189 3.898 15.073
133 HA3 GLY 16 3HA GLY 16 20.244 3.321 13.414
134 H ALA 17 H ALA 17 20.795 5.949 12.290
135 HA ALA 17 HA ALA 17 23.629 5.886 12.456
136 HB1 ALA 17 1HB ALA 17 21.685 7.050 10.764
137 HB2 ALA 17 2HB ALA 17 22.746 8.344 11.322
138 HB3 ALA 17 3HB ALA 17 23.427 6.933 10.512
139 H ILE 18 H ILE 18 21.145 7.840 13.968
140 HA ILE 18 HA ILE 18 21.214 9.496 15.533
141 HB ILE 18 HB ILE 18 23.737 8.050 16.350
142 HG12 ILE 18 2HG1 ILE 18 20.930 7.759 17.434
143 HG13 ILE 18 3HG1 ILE 18 21.638 6.672 16.244
144 HG21 ILE 18 1HG2 ILE 18 22.352 10.381 17.428
145 HG22 ILE 18 2HG2 ILE 18 22.623 9.108 18.617
146 HG23 ILE 18 3HG2 ILE 18 23.986 9.791 17.731
147 HD11 ILE 18 3HD1 ILE 18 21.785 5.694 18.431
148 HD12 ILE 18 1HD1 ILE 18 23.403 6.106 17.865
149 HD13 ILE 18 2HD1 ILE 18 22.599 7.128 19.056
Start of MODEL 11
1 H1 ASP 1 H ASP 1 1.349 -0.973 1.834
2 HA ASP 1 HA ASP 1 1.250 -1.027 -0.572
3 HB2 ASP 1 2HB ASP 1 1.309 1.843 -0.089
4 HB3 ASP 1 3HB ASP 1 2.407 1.369 -1.382
5 HA PRO 2 HA PRO 2 5.487 -2.124 -0.847
6 HB2 PRO 2 2HB PRO 2 5.974 -1.931 -3.511
7 HB3 PRO 2 3HB PRO 2 4.982 -3.213 -2.806
8 HG2 PRO 2 2HG PRO 2 4.127 -0.677 -4.149
9 HG3 PRO 2 3HG PRO 2 3.465 -2.313 -4.322
10 HD2 PRO 2 2HD PRO 2 2.294 -0.425 -2.775
11 HD3 PRO 2 3HD PRO 2 2.229 -2.155 -2.383
12 H ARG 3 H ARG 3 4.629 0.831 -2.611
13 HA ARG 3 HA ARG 3 7.363 1.813 -2.433
14 HB2 ARG 3 2HB ARG 3 4.889 3.085 -3.620
15 HB3 ARG 3 3HB ARG 3 6.522 3.727 -3.737
16 HG2 ARG 3 2HG ARG 3 6.598 1.057 -4.660
17 HG3 ARG 3 3HG ARG 3 5.218 1.850 -5.422
18 HD2 ARG 3 2HD ARG 3 8.024 2.953 -5.366
19 HD3 ARG 3 3HD ARG 3 7.323 2.062 -6.717
20 HE ARG 3 HE ARG 3 5.574 4.111 -6.256
21 HH11 ARG 3 1HH1 ARG 3 8.979 3.874 -6.945
22 HH12 ARG 3 2HH1 ARG 3 9.051 5.397 -7.767
23 HH21 ARG 3 1HH2 ARG 3 5.657 6.118 -7.336
24 HH22 ARG 3 2HH2 ARG 3 7.161 6.673 -7.988
25 H ILE 4 H ILE 4 4.745 1.732 -0.431
26 HA ILE 4 HA ILE 4 5.241 4.373 0.741
27 HB ILE 4 HB ILE 4 3.063 2.355 1.287
28 HG12 ILE 4 2HG1 ILE 4 2.850 3.568 -0.847
29 HG13 ILE 4 3HG1 ILE 4 1.588 4.033 0.288
30 HG21 ILE 4 1HG2 ILE 4 3.673 4.999 2.579
31 HG22 ILE 4 2HG2 ILE 4 2.078 4.251 2.643
32 HG23 ILE 4 3HG2 ILE 4 3.467 3.427 3.350
33 HD11 ILE 4 3HD1 ILE 4 3.472 5.672 -1.066
34 HD12 ILE 4 1HD1 ILE 4 2.148 6.147 -0.002
35 HD13 ILE 4 2HD1 ILE 4 3.743 5.808 0.671
36 H ALA 5 H ALA 5 5.727 0.989 1.291
37 HA ALA 5 HA ALA 5 6.335 1.291 4.102
38 HB1 ALA 5 1HB ALA 5 5.305 -0.770 3.198
39 HB2 ALA 5 2HB ALA 5 6.797 -1.093 2.315
40 HB3 ALA 5 3HB ALA 5 6.803 -1.072 4.078
41 H ALA 6 H ALA 6 8.064 1.156 1.068
42 HA ALA 6 HA ALA 6 10.637 0.582 1.972
43 HB1 ALA 6 1HB ALA 6 10.803 2.499 -0.127
44 HB2 ALA 6 2HB ALA 6 11.051 0.754 -0.199
45 HB3 ALA 6 3HB ALA 6 9.440 1.426 -0.447
46 H ARG 7 H ARG 7 8.735 3.450 2.301
47 HA ARG 7 HA ARG 7 11.052 5.051 3.080
48 HB2 ARG 7 2HB ARG 7 8.607 5.650 1.829
49 HB3 ARG 7 3HB ARG 7 8.517 6.385 3.424
50 HG2 ARG 7 2HG ARG 7 10.867 7.315 2.857
51 HG3 ARG 7 3HG ARG 7 10.417 6.945 1.191
52 HD2 ARG 7 2HD ARG 7 8.335 8.345 2.687
53 HD3 ARG 7 3HD ARG 7 9.830 9.265 2.532
54 HE ARG 7 HE ARG 7 9.030 8.144 0.043
55 HH11 ARG 7 1HH1 ARG 7 8.377 10.743 2.265
56 HH12 ARG 7 2HH1 ARG 7 7.764 11.807 1.044
57 HH21 ARG 7 1HH2 ARG 7 8.224 9.536 -1.575
58 HH22 ARG 7 2HH2 ARG 7 7.677 11.120 -1.140
59 H GLY 8 H GLY 8 8.397 3.305 4.445
60 HA2 GLY 8 2HA GLY 8 8.295 4.619 6.963
61 HA3 GLY 8 3HA GLY 8 7.671 3.015 6.608
62 H ARG 9 H ARG 9 10.293 2.052 5.678
63 HA ARG 9 HA ARG 9 11.287 1.198 8.225
64 HB2 ARG 9 2HB ARG 9 11.219 -0.245 6.179
65 HB3 ARG 9 3HB ARG 9 12.501 0.746 5.495
66 HG2 ARG 9 2HG ARG 9 13.276 -0.124 8.103
67 HG3 ARG 9 3HG ARG 9 12.746 -1.512 7.150
68 HD2 ARG 9 2HD ARG 9 14.238 -0.329 5.303
69 HD3 ARG 9 3HD ARG 9 15.039 0.329 6.729
70 HE ARG 9 HE ARG 9 15.256 -2.318 5.734
71 HH11 ARG 9 1HH1 ARG 9 15.134 -0.481 8.689
72 HH12 ARG 9 2HH1 ARG 9 16.042 -1.641 9.601
73 HH21 ARG 9 1HH2 ARG 9 16.453 -3.852 6.924
74 HH22 ARG 9 2HH2 ARG 9 16.793 -3.558 8.595
75 H ALA 10 H ALA 10 12.225 3.556 5.828
76 HA ALA 10 HA ALA 10 14.878 4.003 6.511
77 HB1 ALA 10 1HB ALA 10 12.843 6.052 5.638
78 HB2 ALA 10 2HB ALA 10 14.596 6.233 5.565
79 HB3 ALA 10 3HB ALA 10 13.793 5.019 4.569
80 H ARG 11 H ARG 11 11.938 5.035 8.114
81 HA ARG 11 HA ARG 11 12.863 7.057 9.747
82 HB2 ARG 11 2HB ARG 11 10.493 6.206 9.546
83 HB3 ARG 11 3HB ARG 11 10.944 4.905 10.640
84 HG2 ARG 11 2HG ARG 11 11.497 6.547 12.365
85 HG3 ARG 11 3HG ARG 11 11.038 7.849 11.265
86 HD2 ARG 11 2HD ARG 11 9.151 5.639 12.038
87 HD3 ARG 11 3HD ARG 11 9.303 7.125 12.975
88 HE ARG 11 HE ARG 11 8.836 7.653 10.214
89 HH11 ARG 11 1HH1 ARG 11 7.280 6.734 13.189
90 HH12 ARG 11 2HH1 ARG 11 5.735 7.370 12.730
91 HH21 ARG 11 1HH2 ARG 11 6.807 8.494 9.598
92 HH22 ARG 11 2HH2 ARG 11 5.467 8.370 10.687
93 H LEU 12 H LEU 12 12.418 3.730 10.943
94 HA LEU 12 HA LEU 12 13.950 3.982 13.229
95 HB2 LEU 12 2HB LEU 12 13.645 1.500 11.546
96 HB3 LEU 12 3HB LEU 12 14.094 1.558 13.250
97 HG LEU 12 HG LEU 12 11.451 2.618 12.303
98 HD11 LEU 12 1HD1 LEU 12 10.487 0.583 12.192
99 HD12 LEU 12 2HD1 LEU 12 11.550 -0.110 13.416
100 HD13 LEU 12 3HD1 LEU 12 12.119 0.075 11.757
101 HD21 LEU 12 3HD2 LEU 12 11.353 1.366 14.825
102 HD22 LEU 12 1HD2 LEU 12 11.237 3.088 14.460
103 HD23 LEU 12 2HD2 LEU 12 12.808 2.365 14.806
104 H ARG 13 H ARG 13 14.960 3.242 9.944
105 HA ARG 13 HA ARG 13 17.569 2.392 10.443
106 HB2 ARG 13 2HB ARG 13 16.144 2.577 8.221
107 HB3 ARG 13 3HB ARG 13 17.006 4.101 8.061
108 HG2 ARG 13 2HG ARG 13 18.297 1.400 8.384
109 HG3 ARG 13 3HG ARG 13 18.106 2.270 6.861
110 HD2 ARG 13 2HD ARG 13 19.760 3.059 9.249
111 HD3 ARG 13 3HD ARG 13 20.324 2.662 7.626
112 HE ARG 13 HE ARG 13 19.275 5.184 8.532
113 HH11 ARG 13 1HH1 ARG 13 19.859 3.135 5.779
114 HH12 ARG 13 2HH1 ARG 13 19.879 4.444 4.644
115 HH21 ARG 13 1HH2 ARG 13 19.299 6.916 7.048
116 HH22 ARG 13 2HH2 ARG 13 19.561 6.594 5.367
117 H ALA 14 H ALA 14 16.426 5.674 9.640
118 HA ALA 14 HA ALA 14 18.906 6.950 9.938
119 HB1 ALA 14 1HB ALA 14 16.072 7.913 10.019
120 HB2 ALA 14 2HB ALA 14 17.412 9.013 10.343
121 HB3 ALA 14 3HB ALA 14 17.308 8.184 8.790
122 H VAL 15 H VAL 15 16.260 6.443 12.246
123 HA VAL 15 HA VAL 15 17.366 7.901 14.379
124 HB VAL 15 HB VAL 15 15.532 5.504 14.529
125 HG11 VAL 15 1HG1 VAL 15 16.057 7.703 16.527
126 HG12 VAL 15 2HG1 VAL 15 14.870 6.409 16.701
127 HG13 VAL 15 3HG1 VAL 15 16.593 6.029 16.666
128 HG21 VAL 15 3HG2 VAL 15 15.109 8.290 13.730
129 HG22 VAL 15 1HG2 VAL 15 14.126 6.858 13.423
130 HG23 VAL 15 2HG2 VAL 15 13.988 7.710 14.961
131 H GLY 16 H GLY 16 17.991 4.692 13.177
132 HA2 GLY 16 2HA GLY 16 19.405 3.846 15.557
133 HA3 GLY 16 3HA GLY 16 19.261 2.951 14.052
134 H ALA 17 H ALA 17 20.178 5.493 12.631
135 HA ALA 17 HA ALA 17 22.999 4.845 12.744
136 HB1 ALA 17 1HB ALA 17 21.195 6.113 10.841
137 HB2 ALA 17 2HB ALA 17 22.755 6.927 10.969
138 HB3 ALA 17 3HB ALA 17 22.686 5.212 10.564
139 H ILE 18 H ILE 18 21.280 7.972 12.684
140 HA ILE 18 HA ILE 18 21.789 9.990 13.614
141 HB ILE 18 HB ILE 18 22.691 8.240 15.904
142 HG12 ILE 18 2HG1 ILE 18 20.368 7.822 15.244
143 HG13 ILE 18 3HG1 ILE 18 20.437 8.639 16.801
144 HG21 ILE 18 1HG2 ILE 18 22.324 11.178 15.611
145 HG22 ILE 18 2HG2 ILE 18 21.910 10.421 17.148
146 HG23 ILE 18 3HG2 ILE 18 23.547 10.277 16.507
147 HD11 ILE 18 3HD1 ILE 18 19.093 9.418 14.410
148 HD12 ILE 18 1HD1 ILE 18 19.041 10.155 16.011
149 HD13 ILE 18 2HD1 ILE 18 20.273 10.652 14.851
Start of MODEL 12
1 H1 ASP 1 H ASP 1 0.974 0.507 0.894
2 HA ASP 1 HA ASP 1 1.001 -1.265 -1.462
3 HB2 ASP 1 2HB ASP 1 0.667 1.601 -1.265
4 HB3 ASP 1 3HB ASP 1 2.085 1.205 -2.233
5 HA PRO 2 HA PRO 2 5.297 -1.954 -0.917
6 HB2 PRO 2 2HB PRO 2 6.227 -1.924 -3.467
7 HB3 PRO 2 3HB PRO 2 5.238 -3.239 -2.821
8 HG2 PRO 2 2HG PRO 2 4.422 -0.914 -4.521
9 HG3 PRO 2 3HG PRO 2 3.941 -2.616 -4.648
10 HD2 PRO 2 2HD PRO 2 2.362 -0.737 -3.505
11 HD3 PRO 2 3HD PRO 2 2.375 -2.429 -2.967
12 H ARG 3 H ARG 3 4.305 0.894 -2.668
13 HA ARG 3 HA ARG 3 6.949 2.097 -2.500
14 HB2 ARG 3 2HB ARG 3 4.348 3.208 -3.570
15 HB3 ARG 3 3HB ARG 3 5.917 3.993 -3.689
16 HG2 ARG 3 2HG ARG 3 5.149 1.366 -4.947
17 HG3 ARG 3 3HG ARG 3 5.319 2.914 -5.778
18 HD2 ARG 3 2HD ARG 3 7.502 1.387 -4.364
19 HD3 ARG 3 3HD ARG 3 7.301 1.552 -6.108
20 HE ARG 3 HE ARG 3 7.465 4.115 -5.036
21 HH11 ARG 3 1HH1 ARG 3 9.470 1.289 -5.371
22 HH12 ARG 3 2HH1 ARG 3 10.952 2.185 -5.417
23 HH21 ARG 3 1HH2 ARG 3 9.410 5.306 -5.095
24 HH22 ARG 3 2HH2 ARG 3 10.917 4.470 -5.259
25 H ILE 4 H ILE 4 4.400 1.698 -0.448
26 HA ILE 4 HA ILE 4 4.700 4.313 0.842
27 HB ILE 4 HB ILE 4 2.716 2.091 1.333
28 HG12 ILE 4 2HG1 ILE 4 2.337 4.884 0.231
29 HG13 ILE 4 3HG1 ILE 4 2.387 3.416 -0.740
30 HG21 ILE 4 1HG2 ILE 4 1.609 3.764 2.832
31 HG22 ILE 4 2HG2 ILE 4 3.140 3.131 3.434
32 HG23 ILE 4 3HG2 ILE 4 3.072 4.741 2.718
33 HD11 ILE 4 3HD1 ILE 4 0.458 2.852 1.126
34 HD12 ILE 4 1HD1 ILE 4 0.210 4.566 0.797
35 HD13 ILE 4 2HD1 ILE 4 0.177 3.401 -0.526
36 H ALA 5 H ALA 5 5.486 0.960 1.213
37 HA ALA 5 HA ALA 5 6.138 1.179 4.021
38 HB1 ALA 5 1HB ALA 5 5.370 -0.943 3.465
39 HB2 ALA 5 2HB ALA 5 6.334 -1.014 1.990
40 HB3 ALA 5 3HB ALA 5 7.118 -1.158 3.563
41 H ALA 6 H ALA 6 7.793 1.340 0.948
42 HA ALA 6 HA ALA 6 10.428 0.947 1.767
43 HB1 ALA 6 1HB ALA 6 10.770 1.254 -0.401
44 HB2 ALA 6 2HB ALA 6 9.102 1.798 -0.581
45 HB3 ALA 6 3HB ALA 6 10.378 2.966 -0.238
46 H ARG 7 H ARG 7 8.298 3.622 2.278
47 HA ARG 7 HA ARG 7 10.490 5.377 3.084
48 HB2 ARG 7 2HB ARG 7 7.891 5.790 1.996
49 HB3 ARG 7 3HB ARG 7 7.939 6.550 3.581
50 HG2 ARG 7 2HG ARG 7 10.166 7.575 2.752
51 HG3 ARG 7 3HG ARG 7 9.564 7.149 1.148
52 HD2 ARG 7 2HD ARG 7 7.539 8.452 2.762
53 HD3 ARG 7 3HD ARG 7 8.981 9.449 2.585
54 HE ARG 7 HE ARG 7 7.087 8.759 0.535
55 HH11 ARG 7 1HH1 ARG 7 10.351 9.767 1.203
56 HH12 ARG 7 2HH1 ARG 7 10.590 10.478 -0.359
57 HH21 ARG 7 1HH2 ARG 7 7.389 9.691 -1.525
58 HH22 ARG 7 2HH2 ARG 7 8.904 10.435 -1.910
59 H GLY 8 H GLY 8 8.029 3.346 4.420
60 HA2 GLY 8 2HA GLY 8 7.881 4.526 7.001
61 HA3 GLY 8 3HA GLY 8 7.388 2.893 6.581
62 H ARG 9 H ARG 9 10.060 2.209 5.546
63 HA ARG 9 HA ARG 9 11.204 1.384 8.055
64 HB2 ARG 9 2HB ARG 9 11.123 -0.087 6.043
65 HB3 ARG 9 3HB ARG 9 12.274 0.985 5.257
66 HG2 ARG 9 2HG ARG 9 13.927 0.484 6.982
67 HG3 ARG 9 3HG ARG 9 12.770 -0.587 7.777
68 HD2 ARG 9 2HD ARG 9 12.710 -2.009 5.799
69 HD3 ARG 9 3HD ARG 9 13.826 -0.923 4.971
70 HE ARG 9 HE ARG 9 15.187 -1.618 7.200
71 HH11 ARG 9 1HH1 ARG 9 13.555 -3.450 4.730
72 HH12 ARG 9 2HH1 ARG 9 14.609 -4.819 4.865
73 HH21 ARG 9 1HH2 ARG 9 16.582 -3.414 7.387
74 HH22 ARG 9 2HH2 ARG 9 16.330 -4.797 6.378
75 H ALA 10 H ALA 10 11.832 3.818 5.649
76 HA ALA 10 HA ALA 10 14.502 4.414 6.187
77 HB1 ALA 10 1HB ALA 10 13.416 6.861 5.606
78 HB2 ALA 10 2HB ALA 10 13.954 5.671 4.421
79 HB3 ALA 10 3HB ALA 10 12.254 5.746 4.886
80 H ARG 11 H ARG 11 11.572 5.307 7.897
81 HA ARG 11 HA ARG 11 12.457 7.387 9.477
82 HB2 ARG 11 2HB ARG 11 10.126 6.420 9.372
83 HB3 ARG 11 3HB ARG 11 10.680 5.155 10.461
84 HG2 ARG 11 2HG ARG 11 11.215 6.839 12.148
85 HG3 ARG 11 3HG ARG 11 10.654 8.106 11.055
86 HD2 ARG 11 2HD ARG 11 8.689 6.001 11.377
87 HD3 ARG 11 3HD ARG 11 9.134 6.724 12.922
88 HE ARG 11 HE ARG 11 7.549 7.909 10.890
89 HH11 ARG 11 1HH1 ARG 11 9.950 8.647 13.301
90 HH12 ARG 11 2HH1 ARG 11 9.435 10.289 13.499
91 HH21 ARG 11 1HH2 ARG 11 6.861 10.069 11.142
92 HH22 ARG 11 2HH2 ARG 11 7.677 11.097 12.271
93 H LEU 12 H LEU 12 12.221 4.056 10.717
94 HA LEU 12 HA LEU 12 13.850 4.426 12.930
95 HB2 LEU 12 2HB LEU 12 13.564 1.875 11.354
96 HB3 LEU 12 3HB LEU 12 14.028 2.024 13.047
97 HG LEU 12 HG LEU 12 11.317 2.638 11.874
98 HD11 LEU 12 1HD1 LEU 12 12.351 0.393 13.591
99 HD12 LEU 12 2HD1 LEU 12 11.635 0.284 11.983
100 HD13 LEU 12 3HD1 LEU 12 10.637 0.742 13.363
101 HD21 LEU 12 3HD2 LEU 12 12.583 3.448 14.354
102 HD22 LEU 12 1HD2 LEU 12 11.112 2.514 14.629
103 HD23 LEU 12 2HD2 LEU 12 11.058 3.972 13.638
104 H ARG 13 H ARG 13 14.700 3.637 9.616
105 HA ARG 13 HA ARG 13 17.351 2.852 9.988
106 HB2 ARG 13 2HB ARG 13 15.805 2.967 7.843
107 HB3 ARG 13 3HB ARG 13 16.624 4.506 7.611
108 HG2 ARG 13 2HG ARG 13 17.989 1.838 7.909
109 HG3 ARG 13 3HG ARG 13 17.697 2.678 6.384
110 HD2 ARG 13 2HD ARG 13 19.423 3.600 8.676
111 HD3 ARG 13 3HD ARG 13 19.960 3.090 7.076
112 HE ARG 13 HE ARG 13 18.275 5.186 6.601
113 HH11 ARG 13 1HH1 ARG 13 21.150 4.711 8.506
114 HH12 ARG 13 2HH1 ARG 13 21.683 6.352 8.349
115 HH21 ARG 13 1HH2 ARG 13 18.966 7.350 6.388
116 HH22 ARG 13 2HH2 ARG 13 20.439 7.852 7.145
117 H ALA 14 H ALA 14 16.096 6.094 9.190
118 HA ALA 14 HA ALA 14 18.509 7.468 9.254
119 HB1 ALA 14 1HB ALA 14 16.304 9.024 10.337
120 HB2 ALA 14 2HB ALA 14 17.234 9.254 8.856
121 HB3 ALA 14 3HB ALA 14 15.866 8.141 8.875
122 H VAL 15 H VAL 15 16.208 6.872 11.897
123 HA VAL 15 HA VAL 15 17.548 8.302 13.893
124 HB VAL 15 HB VAL 15 15.875 5.808 14.233
125 HG11 VAL 15 1HG1 VAL 15 16.926 7.857 16.142
126 HG12 VAL 15 2HG1 VAL 15 15.414 7.013 16.481
127 HG13 VAL 15 3HG1 VAL 15 16.910 6.100 16.285
128 HG21 VAL 15 3HG2 VAL 15 14.336 7.976 14.942
129 HG22 VAL 15 1HG2 VAL 15 15.203 8.549 13.517
130 HG23 VAL 15 2HG2 VAL 15 14.226 7.084 13.425
131 H GLY 16 H GLY 16 18.018 5.038 12.673
132 HA2 GLY 16 2HA GLY 16 19.649 4.019 14.704
133 HA3 GLY 16 3HA GLY 16 19.691 3.507 13.024
134 H ALA 17 H ALA 17 20.326 6.413 12.322
135 HA ALA 17 HA ALA 17 23.166 6.084 12.288
136 HB1 ALA 17 1HB ALA 17 23.233 7.925 10.881
137 HB2 ALA 17 2HB ALA 17 21.643 7.238 10.547
138 HB3 ALA 17 3HB ALA 17 21.792 8.651 11.593
139 H ILE 18 H ILE 18 20.898 7.798 14.292
140 HA ILE 18 HA ILE 18 21.136 9.153 16.111
141 HB ILE 18 HB ILE 18 23.702 7.590 16.421
142 HG12 ILE 18 2HG1 ILE 18 21.495 6.892 18.176
143 HG13 ILE 18 3HG1 ILE 18 21.057 6.700 16.482
144 HG21 ILE 18 1HG2 ILE 18 23.216 8.148 18.894
145 HG22 ILE 18 2HG2 ILE 18 23.944 9.386 17.872
146 HG23 ILE 18 3HG2 ILE 18 22.221 9.449 18.240
147 HD11 ILE 18 3HD1 ILE 18 22.510 4.937 18.096
148 HD12 ILE 18 1HD1 ILE 18 22.188 4.808 16.367
149 HD13 ILE 18 2HD1 ILE 18 23.657 5.602 16.934
Start of MODEL 13
1 H1 ASP 1 H ASP 1 1.616 -0.194 0.728
2 HA ASP 1 HA ASP 1 1.484 -0.695 -1.918
3 HB2 ASP 1 2HB ASP 1 1.385 2.224 -1.419
4 HB3 ASP 1 3HB ASP 1 2.485 1.691 -2.687
5 HA PRO 2 HA PRO 2 5.779 -1.377 -1.360
6 HB2 PRO 2 2HB PRO 2 6.752 -1.105 -3.880
7 HB3 PRO 2 3HB PRO 2 5.770 -2.485 -3.373
8 HG2 PRO 2 2HG PRO 2 4.951 -0.026 -4.871
9 HG3 PRO 2 3HG PRO 2 4.496 -1.715 -5.160
10 HD2 PRO 2 2HD PRO 2 2.871 0.033 -3.880
11 HD3 PRO 2 3HD PRO 2 2.899 -1.701 -3.498
12 H ARG 3 H ARG 3 4.766 1.610 -2.836
13 HA ARG 3 HA ARG 3 7.392 2.827 -2.542
14 HB2 ARG 3 2HB ARG 3 4.778 4.016 -3.489
15 HB3 ARG 3 3HB ARG 3 6.345 4.812 -3.545
16 HG2 ARG 3 2HG ARG 3 6.174 2.184 -4.871
17 HG3 ARG 3 3HG ARG 3 5.273 3.504 -5.618
18 HD2 ARG 3 2HD ARG 3 7.645 3.176 -6.428
19 HD3 ARG 3 3HD ARG 3 7.223 4.805 -5.900
20 HE ARG 3 HE ARG 3 8.697 4.595 -4.145
21 HH11 ARG 3 1HH1 ARG 3 8.228 1.502 -5.673
22 HH12 ARG 3 2HH1 ARG 3 9.528 0.737 -4.820
23 HH21 ARG 3 1HH2 ARG 3 10.411 3.600 -3.016
24 HH22 ARG 3 2HH2 ARG 3 10.769 1.931 -3.309
25 H ILE 4 H ILE 4 4.850 2.188 -0.543
26 HA ILE 4 HA ILE 4 5.119 4.663 1.005
27 HB ILE 4 HB ILE 4 3.154 2.386 1.261
28 HG12 ILE 4 2HG1 ILE 4 2.757 5.273 0.445
29 HG13 ILE 4 3HG1 ILE 4 2.814 3.909 -0.666
30 HG21 ILE 4 1HG2 ILE 4 3.568 3.211 3.459
31 HG22 ILE 4 2HG2 ILE 4 3.482 4.884 2.909
32 HG23 ILE 4 3HG2 ILE 4 2.029 3.884 2.921
33 HD11 ILE 4 3HD1 ILE 4 0.888 3.179 1.169
34 HD12 ILE 4 1HD1 ILE 4 0.625 4.908 0.938
35 HD13 ILE 4 2HD1 ILE 4 0.610 3.819 -0.450
36 H ALA 5 H ALA 5 5.933 1.297 1.037
37 HA ALA 5 HA ALA 5 6.577 1.235 3.854
38 HB1 ALA 5 1HB ALA 5 7.738 -0.957 2.459
39 HB2 ALA 5 2HB ALA 5 6.362 -0.952 3.562
40 HB3 ALA 5 3HB ALA 5 6.109 -0.691 1.836
41 H ALA 6 H ALA 6 8.237 1.726 0.821
42 HA ALA 6 HA ALA 6 10.874 1.273 1.601
43 HB1 ALA 6 1HB ALA 6 10.804 3.494 -0.181
44 HB2 ALA 6 2HB ALA 6 11.220 1.814 -0.521
45 HB3 ALA 6 3HB ALA 6 9.545 2.351 -0.649
46 H ARG 7 H ARG 7 8.720 3.861 2.385
47 HA ARG 7 HA ARG 7 10.895 5.540 3.378
48 HB2 ARG 7 2HB ARG 7 8.323 6.057 2.303
49 HB3 ARG 7 3HB ARG 7 8.304 6.606 3.973
50 HG2 ARG 7 2HG ARG 7 10.495 7.805 3.402
51 HG3 ARG 7 3HG ARG 7 10.049 7.520 1.719
52 HD2 ARG 7 2HD ARG 7 7.920 8.635 3.415
53 HD3 ARG 7 3HD ARG 7 9.306 9.693 3.156
54 HE ARG 7 HE ARG 7 8.292 8.512 0.742
55 HH11 ARG 7 1HH1 ARG 7 7.972 11.152 2.989
56 HH12 ARG 7 2HH1 ARG 7 7.243 12.218 1.834
57 HH21 ARG 7 1HH2 ARG 7 7.333 9.906 -0.788
58 HH22 ARG 7 2HH2 ARG 7 6.880 11.508 -0.314
59 H GLY 8 H GLY 8 8.446 3.361 4.484
60 HA2 GLY 8 2HA GLY 8 8.284 4.262 7.175
61 HA3 GLY 8 3HA GLY 8 7.803 2.678 6.584
62 H ARG 9 H ARG 9 10.478 2.118 5.492
63 HA ARG 9 HA ARG 9 11.616 1.021 7.889
64 HB2 ARG 9 2HB ARG 9 11.586 -0.193 5.717
65 HB3 ARG 9 3HB ARG 9 12.716 0.992 5.074
66 HG2 ARG 9 2HG ARG 9 14.447 0.267 6.490
67 HG3 ARG 9 3HG ARG 9 13.334 -0.652 7.506
68 HD2 ARG 9 2HD ARG 9 13.631 -1.317 4.605
69 HD3 ARG 9 3HD ARG 9 14.820 -1.893 5.773
70 HE ARG 9 HE ARG 9 12.156 -2.868 5.402
71 HH11 ARG 9 1HH1 ARG 9 14.713 -2.442 7.726
72 HH12 ARG 9 2HH1 ARG 9 14.186 -3.745 8.740
73 HH21 ARG 9 1HH2 ARG 9 11.452 -4.585 6.728
74 HH22 ARG 9 2HH2 ARG 9 12.332 -4.964 8.171
75 H ALA 10 H ALA 10 12.319 3.683 5.729
76 HA ALA 10 HA ALA 10 14.945 4.252 6.444
77 HB1 ALA 10 1HB ALA 10 14.671 5.993 5.084
78 HB2 ALA 10 2HB ALA 10 13.012 5.438 4.858
79 HB3 ALA 10 3HB ALA 10 13.374 6.660 6.077
80 H ARG 11 H ARG 11 11.925 5.071 8.064
81 HA ARG 11 HA ARG 11 12.791 6.947 9.891
82 HB2 ARG 11 2HB ARG 11 10.432 6.112 9.545
83 HB3 ARG 11 3HB ARG 11 10.855 4.724 10.538
84 HG2 ARG 11 2HG ARG 11 11.348 6.213 12.412
85 HG3 ARG 11 3HG ARG 11 10.917 7.604 11.414
86 HD2 ARG 11 2HD ARG 11 8.756 5.855 11.196
87 HD3 ARG 11 3HD ARG 11 9.218 5.800 12.897
88 HE ARG 11 HE ARG 11 9.148 8.474 12.156
89 HH11 ARG 11 1HH1 ARG 11 6.939 5.796 12.419
90 HH12 ARG 11 2HH1 ARG 11 5.565 6.794 12.764
91 HH21 ARG 11 1HH2 ARG 11 7.347 9.799 12.609
92 HH22 ARG 11 2HH2 ARG 11 5.799 9.071 12.871
93 H LEU 12 H LEU 12 12.326 3.530 10.785
94 HA LEU 12 HA LEU 12 13.812 3.608 13.124
95 HB2 LEU 12 2HB LEU 12 13.548 1.231 11.292
96 HB3 LEU 12 3HB LEU 12 13.871 1.205 13.025
97 HG LEU 12 HG LEU 12 11.300 2.166 11.774
98 HD11 LEU 12 1HD1 LEU 12 10.411 0.035 12.813
99 HD12 LEU 12 2HD1 LEU 12 12.090 -0.489 12.939
100 HD13 LEU 12 3HD1 LEU 12 11.389 -0.150 11.357
101 HD21 LEU 12 3HD2 LEU 12 12.248 2.883 14.168
102 HD22 LEU 12 1HD2 LEU 12 11.504 1.345 14.608
103 HD23 LEU 12 2HD2 LEU 12 10.532 2.612 13.858
104 H ARG 13 H ARG 13 14.859 3.120 9.810
105 HA ARG 13 HA ARG 13 17.441 2.167 10.267
106 HB2 ARG 13 2HB ARG 13 16.056 2.585 8.051
107 HB3 ARG 13 3HB ARG 13 16.955 4.096 8.041
108 HG2 ARG 13 2HG ARG 13 18.179 1.346 8.137
109 HG3 ARG 13 3HG ARG 13 18.031 2.355 6.696
110 HD2 ARG 13 2HD ARG 13 19.622 2.957 9.185
111 HD3 ARG 13 3HD ARG 13 20.258 2.567 7.587
112 HE ARG 13 HE ARG 13 18.638 4.817 7.327
113 HH11 ARG 13 1HH1 ARG 13 21.614 3.896 8.880
114 HH12 ARG 13 2HH1 ARG 13 22.300 5.485 8.800
115 HH21 ARG 13 1HH2 ARG 13 19.530 6.914 7.215
116 HH22 ARG 13 2HH2 ARG 13 21.113 7.201 7.854
117 H ALA 14 H ALA 14 16.436 5.538 9.659
118 HA ALA 14 HA ALA 14 18.901 6.742 10.094
119 HB1 ALA 14 1HB ALA 14 16.795 7.793 9.164
120 HB2 ALA 14 2HB ALA 14 16.278 8.011 10.836
121 HB3 ALA 14 3HB ALA 14 17.749 8.795 10.259
122 H VAL 15 H VAL 15 16.269 6.165 12.419
123 HA VAL 15 HA VAL 15 17.426 7.333 14.657
124 HB VAL 15 HB VAL 15 15.712 4.846 14.674
125 HG11 VAL 15 1HG1 VAL 15 14.967 5.769 16.869
126 HG12 VAL 15 2HG1 VAL 15 16.661 5.273 16.832
127 HG13 VAL 15 3HG1 VAL 15 16.239 6.983 16.734
128 HG21 VAL 15 3HG2 VAL 15 14.148 7.111 15.205
129 HG22 VAL 15 1HG2 VAL 15 15.110 7.509 13.782
130 HG23 VAL 15 2HG2 VAL 15 14.087 6.073 13.781
131 H GLY 16 H GLY 16 17.921 4.135 13.263
132 HA2 GLY 16 2HA GLY 16 19.315 2.936 15.370
133 HA3 GLY 16 3HA GLY 16 19.505 2.527 13.671
134 H ALA 17 H ALA 17 20.388 5.237 12.959
135 HA ALA 17 HA ALA 17 23.161 4.954 13.858
136 HB1 ALA 17 1HB ALA 17 23.452 6.723 11.946
137 HB2 ALA 17 2HB ALA 17 23.220 5.016 11.565
138 HB3 ALA 17 3HB ALA 17 21.864 6.138 11.451
139 H ILE 18 H ILE 18 21.160 7.761 12.944
140 HA ILE 18 HA ILE 18 22.543 9.401 14.889
141 HB ILE 18 HB ILE 18 20.271 10.135 13.039
142 HG12 ILE 18 2HG1 ILE 18 23.219 10.705 12.704
143 HG13 ILE 18 3HG1 ILE 18 22.400 9.353 11.930
144 HG21 ILE 18 1HG2 ILE 18 21.907 12.344 13.707
145 HG22 ILE 18 2HG2 ILE 18 20.212 12.075 14.111
146 HG23 ILE 18 3HG2 ILE 18 21.478 11.525 15.209
147 HD11 ILE 18 3HD1 ILE 18 21.541 12.204 11.555
148 HD12 ILE 18 1HD1 ILE 18 22.731 11.410 10.523
149 HD13 ILE 18 2HD1 ILE 18 21.081 10.790 10.607
Start of MODEL 14
1 H1 ASP 1 H ASP 1 0.113 -0.580 0.147
2 HA ASP 1 HA ASP 1 1.389 -1.276 -1.624
3 HB2 ASP 1 2HB ASP 1 1.287 1.672 -1.629
4 HB3 ASP 1 3HB ASP 1 2.537 0.969 -2.651
5 HA PRO 2 HA PRO 2 5.609 -1.943 -0.637
6 HB2 PRO 2 2HB PRO 2 6.767 -2.115 -3.087
7 HB3 PRO 2 3HB PRO 2 5.707 -3.370 -2.435
8 HG2 PRO 2 2HG PRO 2 5.077 -1.180 -4.376
9 HG3 PRO 2 3HG PRO 2 4.589 -2.884 -4.415
10 HD2 PRO 2 2HD PRO 2 2.935 -0.915 -3.569
11 HD3 PRO 2 3HD PRO 2 2.879 -2.560 -2.905
12 H ARG 3 H ARG 3 4.742 0.820 -2.527
13 HA ARG 3 HA ARG 3 7.396 1.998 -2.364
14 HB2 ARG 3 2HB ARG 3 4.892 3.341 -3.369
15 HB3 ARG 3 3HB ARG 3 6.563 3.739 -3.747
16 HG2 ARG 3 2HG ARG 3 6.620 1.338 -4.752
17 HG3 ARG 3 3HG ARG 3 4.865 1.519 -4.782
18 HD2 ARG 3 2HD ARG 3 5.436 2.323 -6.860
19 HD3 ARG 3 3HD ARG 3 5.408 3.808 -5.910
20 HE ARG 3 HE ARG 3 8.001 2.813 -5.814
21 HH11 ARG 3 1HH1 ARG 3 5.773 4.045 -8.188
22 HH12 ARG 3 2HH1 ARG 3 7.016 4.670 -9.221
23 HH21 ARG 3 1HH2 ARG 3 9.647 3.631 -7.165
24 HH22 ARG 3 2HH2 ARG 3 9.219 4.432 -8.639
25 H ILE 4 H ILE 4 4.833 1.675 -0.317
26 HA ILE 4 HA ILE 4 5.161 4.316 0.915
27 HB ILE 4 HB ILE 4 3.137 2.138 1.438
28 HG12 ILE 4 2HG1 ILE 4 2.806 3.391 -0.658
29 HG13 ILE 4 3HG1 ILE 4 1.534 3.736 0.509
30 HG21 ILE 4 1HG2 ILE 4 2.056 4.013 2.823
31 HG22 ILE 4 2HG2 ILE 4 3.414 3.135 3.526
32 HG23 ILE 4 3HG2 ILE 4 3.664 4.738 2.833
33 HD11 ILE 4 3HD1 ILE 4 2.173 5.769 -0.562
34 HD12 ILE 4 1HD1 ILE 4 2.733 5.820 1.110
35 HD13 ILE 4 2HD1 ILE 4 3.874 5.486 -0.193
36 H ALA 5 H ALA 5 5.887 0.959 1.367
37 HA ALA 5 HA ALA 5 6.521 1.230 4.175
38 HB1 ALA 5 1HB ALA 5 7.585 -1.146 3.538
39 HB2 ALA 5 2HB ALA 5 5.870 -0.915 3.880
40 HB3 ALA 5 3HB ALA 5 6.435 -0.974 2.211
41 H ALA 6 H ALA 6 8.203 1.298 1.113
42 HA ALA 6 HA ALA 6 10.824 0.880 1.963
43 HB1 ALA 6 1HB ALA 6 11.190 1.135 -0.208
44 HB2 ALA 6 2HB ALA 6 9.531 1.700 -0.414
45 HB3 ALA 6 3HB ALA 6 10.822 2.856 -0.087
46 H ARG 7 H ARG 7 8.734 3.600 2.397
47 HA ARG 7 HA ARG 7 10.948 5.337 3.184
48 HB2 ARG 7 2HB ARG 7 8.425 5.788 2.006
49 HB3 ARG 7 3HB ARG 7 8.353 6.503 3.611
50 HG2 ARG 7 2HG ARG 7 10.673 7.518 2.909
51 HG3 ARG 7 3HG ARG 7 10.050 7.231 1.283
52 HD2 ARG 7 2HD ARG 7 8.106 8.472 3.071
53 HD3 ARG 7 3HD ARG 7 9.555 9.447 2.829
54 HE ARG 7 HE ARG 7 8.427 8.424 0.391
55 HH11 ARG 7 1HH1 ARG 7 8.339 11.001 2.731
56 HH12 ARG 7 2HH1 ARG 7 7.674 12.157 1.625
57 HH21 ARG 7 1HH2 ARG 7 7.551 9.938 -1.073
58 HH22 ARG 7 2HH2 ARG 7 7.225 11.551 -0.538
59 H GLY 8 H GLY 8 8.442 3.376 4.542
60 HA2 GLY 8 2HA GLY 8 8.292 4.615 7.095
61 HA3 GLY 8 3HA GLY 8 7.774 2.982 6.706
62 H ARG 9 H ARG 9 10.439 2.224 5.712
63 HA ARG 9 HA ARG 9 11.533 1.381 8.222
64 HB2 ARG 9 2HB ARG 9 11.521 -0.012 6.137
65 HB3 ARG 9 3HB ARG 9 12.733 1.072 5.467
66 HG2 ARG 9 2HG ARG 9 14.372 0.362 6.954
67 HG3 ARG 9 3HG ARG 9 13.192 -0.316 8.078
68 HD2 ARG 9 2HD ARG 9 13.823 -1.383 5.328
69 HD3 ARG 9 3HD ARG 9 14.397 -2.063 6.850
70 HE ARG 9 HE ARG 9 11.680 -2.027 7.100
71 HH11 ARG 9 1HH1 ARG 9 13.922 -3.363 4.796
72 HH12 ARG 9 2HH1 ARG 9 12.900 -4.698 4.379
73 HH21 ARG 9 1HH2 ARG 9 10.325 -3.781 6.559
74 HH22 ARG 9 2HH2 ARG 9 10.854 -4.934 5.382
75 H ALA 10 H ALA 10 12.220 3.889 5.912
76 HA ALA 10 HA ALA 10 14.864 4.491 6.523
77 HB1 ALA 10 1HB ALA 10 13.751 5.520 4.653
78 HB2 ALA 10 2HB ALA 10 12.625 6.347 5.730
79 HB3 ALA 10 3HB ALA 10 14.335 6.780 5.741
80 H ARG 11 H ARG 11 11.900 5.320 8.220
81 HA ARG 11 HA ARG 11 12.776 7.309 9.918
82 HB2 ARG 11 2HB ARG 11 10.435 6.381 9.715
83 HB3 ARG 11 3HB ARG 11 10.948 5.056 10.753
84 HG2 ARG 11 2HG ARG 11 11.467 6.649 12.532
85 HG3 ARG 11 3HG ARG 11 10.947 7.976 11.490
86 HD2 ARG 11 2HD ARG 11 9.162 5.670 12.234
87 HD3 ARG 11 3HD ARG 11 9.255 7.155 13.179
88 HE ARG 11 HE ARG 11 8.742 7.704 10.438
89 HH11 ARG 11 1HH1 ARG 11 7.238 6.599 13.377
90 HH12 ARG 11 2HH1 ARG 11 5.656 7.143 12.927
91 HH21 ARG 11 1HH2 ARG 11 6.664 8.425 9.833
92 HH22 ARG 11 2HH2 ARG 11 5.331 8.181 10.910
93 H LEU 12 H LEU 12 12.468 3.924 10.989
94 HA LEU 12 HA LEU 12 14.084 4.188 13.242
95 HB2 LEU 12 2HB LEU 12 13.669 1.700 11.593
96 HB3 LEU 12 3HB LEU 12 14.186 1.767 13.276
97 HG LEU 12 HG LEU 12 11.497 2.735 12.321
98 HD11 LEU 12 1HD1 LEU 12 11.440 0.444 11.847
99 HD12 LEU 12 2HD1 LEU 12 10.717 0.584 13.449
100 HD13 LEU 12 3HD1 LEU 12 12.384 0.033 13.279
101 HD21 LEU 12 3HD2 LEU 12 11.638 3.691 14.360
102 HD22 LEU 12 1HD2 LEU 12 12.900 2.588 14.910
103 HD23 LEU 12 2HD2 LEU 12 11.214 2.071 14.914
104 H ARG 13 H ARG 13 14.918 3.631 9.904
105 HA ARG 13 HA ARG 13 17.503 2.622 10.188
106 HB2 ARG 13 2HB ARG 13 15.989 3.087 8.068
107 HB3 ARG 13 3HB ARG 13 16.917 4.579 8.011
108 HG2 ARG 13 2HG ARG 13 18.087 1.805 8.009
109 HG3 ARG 13 3HG ARG 13 17.869 2.828 6.588
110 HD2 ARG 13 2HD ARG 13 19.634 3.364 8.971
111 HD3 ARG 13 3HD ARG 13 20.149 2.997 7.325
112 HE ARG 13 HE ARG 13 18.562 5.276 7.208
113 HH11 ARG 13 1HH1 ARG 13 21.599 4.285 8.591
114 HH12 ARG 13 2HH1 ARG 13 22.301 5.867 8.509
115 HH21 ARG 13 1HH2 ARG 13 19.475 7.363 7.095
116 HH22 ARG 13 2HH2 ARG 13 21.091 7.617 7.659
117 H ALA 14 H ALA 14 16.505 6.016 9.722
118 HA ALA 14 HA ALA 14 19.012 7.186 9.967
119 HB1 ALA 14 1HB ALA 14 17.563 9.170 10.905
120 HB2 ALA 14 2HB ALA 14 17.440 8.670 9.218
121 HB3 ALA 14 3HB ALA 14 16.226 8.145 10.384
122 H VAL 15 H VAL 15 16.609 6.498 12.494
123 HA VAL 15 HA VAL 15 18.059 7.600 14.639
124 HB VAL 15 HB VAL 15 16.072 5.326 14.740
125 HG11 VAL 15 1HG1 VAL 15 15.695 6.466 17.057
126 HG12 VAL 15 2HG1 VAL 15 17.027 5.329 16.838
127 HG13 VAL 15 3HG1 VAL 15 17.334 7.066 16.811
128 HG21 VAL 15 3HG2 VAL 15 14.831 6.997 13.761
129 HG22 VAL 15 1HG2 VAL 15 14.582 7.354 15.470
130 HG23 VAL 15 2HG2 VAL 15 15.752 8.285 14.536
131 H GLY 16 H GLY 16 18.315 4.566 12.967
132 HA2 GLY 16 2HA GLY 16 19.701 3.125 14.988
133 HA3 GLY 16 3HA GLY 16 19.671 2.734 13.275
134 H ALA 17 H ALA 17 20.683 5.578 12.781
135 HA ALA 17 HA ALA 17 23.501 4.872 12.972
136 HB1 ALA 17 1HB ALA 17 23.181 7.396 11.742
137 HB2 ALA 17 2HB ALA 17 23.589 5.855 10.987
138 HB3 ALA 17 3HB ALA 17 21.901 6.346 11.133
139 H ILE 18 H ILE 18 21.221 7.167 14.289
140 HA ILE 18 HA ILE 18 23.254 8.827 15.487
141 HB ILE 18 HB ILE 18 20.298 8.808 16.093
142 HG12 ILE 18 2HG1 ILE 18 20.661 9.120 13.688
143 HG13 ILE 18 3HG1 ILE 18 20.105 10.613 14.436
144 HG21 ILE 18 1HG2 ILE 18 21.222 10.098 17.747
145 HG22 ILE 18 2HG2 ILE 18 22.572 10.617 16.739
146 HG23 ILE 18 3HG2 ILE 18 20.970 11.314 16.495
147 HD11 ILE 18 3HD1 ILE 18 21.866 11.687 13.655
148 HD12 ILE 18 1HD1 ILE 18 22.953 10.562 14.470
149 HD13 ILE 18 2HD1 ILE 18 22.379 10.210 12.839
Start of MODEL 15
1 H1 ASP 1 H ASP 1 0.697 0.243 0.788
2 HA ASP 1 HA ASP 1 1.501 -1.169 -1.422
3 HB2 ASP 1 2HB ASP 1 1.376 1.712 -0.730
4 HB3 ASP 1 3HB ASP 1 2.347 1.288 -2.137
5 HA PRO 2 HA PRO 2 5.848 -1.731 -1.321
6 HB2 PRO 2 2HB PRO 2 6.562 -1.271 -3.900
7 HB3 PRO 2 3HB PRO 2 5.676 -2.713 -3.391
8 HG2 PRO 2 2HG PRO 2 4.642 -0.199 -4.644
9 HG3 PRO 2 3HG PRO 2 4.211 -1.883 -4.995
10 HD2 PRO 2 2HD PRO 2 2.668 -0.275 -3.457
11 HD3 PRO 2 3HD PRO 2 2.784 -2.026 -3.191
12 H ARG 3 H ARG 3 4.685 1.277 -2.722
13 HA ARG 3 HA ARG 3 7.280 2.556 -2.408
14 HB2 ARG 3 2HB ARG 3 4.644 3.673 -3.383
15 HB3 ARG 3 3HB ARG 3 6.184 4.521 -3.411
16 HG2 ARG 3 2HG ARG 3 5.633 1.954 -4.883
17 HG3 ARG 3 3HG ARG 3 5.519 3.565 -5.596
18 HD2 ARG 3 2HD ARG 3 7.962 2.181 -4.514
19 HD3 ARG 3 3HD ARG 3 7.655 2.702 -6.171
20 HE ARG 3 HE ARG 3 8.573 4.334 -3.972
21 HH11 ARG 3 1HH1 ARG 3 7.113 4.276 -7.131
22 HH12 ARG 3 2HH1 ARG 3 7.572 5.902 -7.516
23 HH21 ARG 3 1HH2 ARG 3 9.184 6.475 -4.466
24 HH22 ARG 3 2HH2 ARG 3 8.751 7.151 -6.000
25 H ILE 4 H ILE 4 4.737 1.855 -0.432
26 HA ILE 4 HA ILE 4 4.931 4.336 1.119
27 HB ILE 4 HB ILE 4 3.026 2.006 1.363
28 HG12 ILE 4 2HG1 ILE 4 2.629 3.491 -0.566
29 HG13 ILE 4 3HG1 ILE 4 1.339 3.613 0.626
30 HG21 ILE 4 1HG2 ILE 4 1.847 3.547 2.990
31 HG22 ILE 4 2HG2 ILE 4 3.337 2.800 3.562
32 HG23 ILE 4 3HG2 ILE 4 3.340 4.483 3.036
33 HD11 ILE 4 3HD1 ILE 4 2.890 5.678 -0.487
34 HD12 ILE 4 1HD1 ILE 4 1.639 5.795 0.750
35 HD13 ILE 4 2HD1 ILE 4 3.324 5.564 1.218
36 H ALA 5 H ALA 5 5.837 0.993 1.156
37 HA ALA 5 HA ALA 5 6.462 0.949 3.979
38 HB1 ALA 5 1HB ALA 5 6.038 -0.989 1.976
39 HB2 ALA 5 2HB ALA 5 7.687 -1.208 2.565
40 HB3 ALA 5 3HB ALA 5 6.334 -1.246 3.695
41 H ALA 6 H ALA 6 8.132 1.475 0.954
42 HA ALA 6 HA ALA 6 10.773 1.097 1.755
43 HB1 ALA 6 1HB ALA 6 11.118 1.638 -0.366
44 HB2 ALA 6 2HB ALA 6 9.432 2.137 -0.507
45 HB3 ALA 6 3HB ALA 6 10.661 3.309 -0.033
46 H ARG 7 H ARG 7 8.544 3.626 2.519
47 HA ARG 7 HA ARG 7 10.665 5.368 3.520
48 HB2 ARG 7 2HB ARG 7 8.053 5.793 2.463
49 HB3 ARG 7 3HB ARG 7 8.074 6.393 4.116
50 HG2 ARG 7 2HG ARG 7 10.232 7.604 3.436
51 HG3 ARG 7 3HG ARG 7 9.726 7.268 1.779
52 HD2 ARG 7 2HD ARG 7 7.619 8.378 3.485
53 HD3 ARG 7 3HD ARG 7 8.993 9.455 3.238
54 HE ARG 7 HE ARG 7 7.027 8.685 1.295
55 HH11 ARG 7 1HH1 ARG 7 10.297 9.786 1.761
56 HH12 ARG 7 2HH1 ARG 7 10.423 10.490 0.183
57 HH21 ARG 7 1HH2 ARG 7 7.181 9.608 -0.785
58 HH22 ARG 7 2HH2 ARG 7 8.650 10.388 -1.265
59 H GLY 8 H GLY 8 8.277 3.121 4.619
60 HA2 GLY 8 2HA GLY 8 8.072 4.021 7.306
61 HA3 GLY 8 3HA GLY 8 7.645 2.422 6.717
62 H ARG 9 H ARG 9 10.332 1.925 5.645
63 HA ARG 9 HA ARG 9 11.512 0.946 8.089
64 HB2 ARG 9 2HB ARG 9 11.423 -0.398 5.987
65 HB3 ARG 9 3HB ARG 9 12.556 0.734 5.261
66 HG2 ARG 9 2HG ARG 9 14.269 -0.359 6.133
67 HG3 ARG 9 3HG ARG 9 13.601 -0.187 7.757
68 HD2 ARG 9 2HD ARG 9 12.016 -2.138 6.847
69 HD3 ARG 9 3HD ARG 9 13.443 -2.455 5.861
70 HE ARG 9 HE ARG 9 14.050 -2.122 8.642
71 HH11 ARG 9 1HH1 ARG 9 12.983 -4.380 6.216
72 HH12 ARG 9 2HH1 ARG 9 13.536 -5.774 7.085
73 HH21 ARG 9 1HH2 ARG 9 14.782 -3.949 9.794
74 HH22 ARG 9 2HH2 ARG 9 14.558 -5.528 9.120
75 H ALA 10 H ALA 10 12.296 3.327 5.603
76 HA ALA 10 HA ALA 10 14.887 3.975 6.311
77 HB1 ALA 10 1HB ALA 10 14.640 5.903 5.057
78 HB2 ALA 10 2HB ALA 10 13.384 4.859 4.392
79 HB3 ALA 10 3HB ALA 10 12.959 6.127 5.541
80 H ARG 11 H ARG 11 11.872 4.888 7.851
81 HA ARG 11 HA ARG 11 12.666 7.002 9.434
82 HB2 ARG 11 2HB ARG 11 10.347 6.020 9.230
83 HB3 ARG 11 3HB ARG 11 10.851 4.778 10.368
84 HG2 ARG 11 2HG ARG 11 11.292 6.496 12.049
85 HG3 ARG 11 3HG ARG 11 10.783 7.740 10.906
86 HD2 ARG 11 2HD ARG 11 8.989 5.459 11.678
87 HD3 ARG 11 3HD ARG 11 9.073 6.939 12.632
88 HE ARG 11 HE ARG 11 8.631 7.758 10.047
89 HH11 ARG 11 1HH1 ARG 11 7.010 5.706 12.346
90 HH12 ARG 11 2HH1 ARG 11 5.427 6.039 11.724
91 HH21 ARG 11 1HH2 ARG 11 6.553 8.204 9.219
92 HH22 ARG 11 2HH2 ARG 11 5.169 7.459 9.945
93 H LEU 12 H LEU 12 12.382 3.692 10.723
94 HA LEU 12 HA LEU 12 13.911 4.124 13.003
95 HB2 LEU 12 2HB LEU 12 13.635 1.538 11.481
96 HB3 LEU 12 3HB LEU 12 14.085 1.713 13.176
97 HG LEU 12 HG LEU 12 11.405 2.524 12.059
98 HD11 LEU 12 1HD1 LEU 12 10.654 0.433 13.308
99 HD12 LEU 12 2HD1 LEU 12 12.345 -0.064 13.254
100 HD13 LEU 12 3HD1 LEU 12 11.456 0.202 11.754
101 HD21 LEU 12 3HD2 LEU 12 10.892 2.192 14.588
102 HD22 LEU 12 1HD2 LEU 12 11.654 3.684 14.038
103 HD23 LEU 12 2HD2 LEU 12 12.631 2.418 14.783
104 H ARG 13 H ARG 13 14.891 3.379 9.737
105 HA ARG 13 HA ARG 13 17.498 2.495 10.191
106 HB2 ARG 13 2HB ARG 13 16.051 2.739 7.988
107 HB3 ARG 13 3HB ARG 13 16.927 4.257 7.851
108 HG2 ARG 13 2HG ARG 13 18.194 1.537 8.104
109 HG3 ARG 13 3HG ARG 13 17.995 2.441 6.602
110 HD2 ARG 13 2HD ARG 13 19.638 3.238 9.000
111 HD3 ARG 13 3HD ARG 13 20.240 2.742 7.419
112 HE ARG 13 HE ARG 13 18.572 4.955 7.062
113 HH11 ARG 13 1HH1 ARG 13 21.632 4.159 8.519
114 HH12 ARG 13 2HH1 ARG 13 22.301 5.741 8.289
115 HH21 ARG 13 1HH2 ARG 13 19.441 7.041 6.754
116 HH22 ARG 13 2HH2 ARG 13 21.053 7.379 7.286
117 H ALA 14 H ALA 14 16.391 5.801 9.434
118 HA ALA 14 HA ALA 14 18.855 7.073 9.700
119 HB1 ALA 14 1HB ALA 14 16.998 8.943 10.558
120 HB2 ALA 14 2HB ALA 14 17.528 8.669 8.898
121 HB3 ALA 14 3HB ALA 14 16.079 7.868 9.505
122 H VAL 15 H VAL 15 16.399 6.327 12.130
123 HA VAL 15 HA VAL 15 17.531 7.753 14.270
124 HB VAL 15 HB VAL 15 15.885 5.221 14.377
125 HG11 VAL 15 1HG1 VAL 15 15.291 6.566 16.639
126 HG12 VAL 15 2HG1 VAL 15 16.521 5.304 16.539
127 HG13 VAL 15 3HG1 VAL 15 16.989 7.003 16.446
128 HG21 VAL 15 3HG2 VAL 15 14.723 6.968 13.172
129 HG22 VAL 15 1HG2 VAL 15 13.993 6.761 14.764
130 HG23 VAL 15 2HG2 VAL 15 15.068 8.125 14.458
131 H GLY 16 H GLY 16 18.049 4.446 13.118
132 HA2 GLY 16 2HA GLY 16 19.695 3.596 15.250
133 HA3 GLY 16 3HA GLY 16 19.645 2.882 13.645
134 H ALA 17 H ALA 17 20.352 5.526 12.434
135 HA ALA 17 HA ALA 17 23.152 5.142 12.326
136 HB1 ALA 17 1HB ALA 17 21.194 6.734 10.973
137 HB2 ALA 17 2HB ALA 17 22.588 7.731 11.389
138 HB3 ALA 17 3HB ALA 17 22.808 6.260 10.441
139 H ILE 18 H ILE 18 21.129 7.571 13.934
140 HA ILE 18 HA ILE 18 23.493 8.727 15.205
141 HB ILE 18 HB ILE 18 20.608 9.614 15.322
142 HG12 ILE 18 2HG1 ILE 18 22.898 10.945 13.876
143 HG13 ILE 18 3HG1 ILE 18 21.837 9.779 13.092
144 HG21 ILE 18 1HG2 ILE 18 22.311 11.727 15.981
145 HG22 ILE 18 2HG2 ILE 18 21.234 10.845 17.062
146 HG23 ILE 18 3HG2 ILE 18 22.913 10.338 16.885
147 HD11 ILE 18 3HD1 ILE 18 19.934 11.321 13.889
148 HD12 ILE 18 1HD1 ILE 18 21.211 12.519 14.098
149 HD13 ILE 18 2HD1 ILE 18 20.915 11.813 12.509
Start of MODEL 16
1 H1 ASP 1 H ASP 1 1.069 -0.604 0.896
2 HA ASP 1 HA ASP 1 1.124 -1.129 -1.660
3 HB2 ASP 1 2HB ASP 1 0.974 1.813 -1.410
4 HB3 ASP 1 3HB ASP 1 2.156 1.208 -2.568
5 HA PRO 2 HA PRO 2 5.401 -1.748 -0.919
6 HB2 PRO 2 2HB PRO 2 6.448 -1.682 -3.423
7 HB3 PRO 2 3HB PRO 2 5.453 -3.018 -2.833
8 HG2 PRO 2 2HG PRO 2 4.677 -0.695 -4.553
9 HG3 PRO 2 3HG PRO 2 4.233 -2.404 -4.714
10 HD2 PRO 2 2HD PRO 2 2.569 -0.562 -3.634
11 HD3 PRO 2 3HD PRO 2 2.586 -2.257 -3.108
12 H ARG 3 H ARG 3 4.380 1.131 -2.544
13 HA ARG 3 HA ARG 3 7.007 2.372 -2.377
14 HB2 ARG 3 2HB ARG 3 4.362 3.489 -3.326
15 HB3 ARG 3 3HB ARG 3 5.915 4.306 -3.442
16 HG2 ARG 3 2HG ARG 3 6.085 1.700 -4.630
17 HG3 ARG 3 3HG ARG 3 4.731 2.602 -5.316
18 HD2 ARG 3 2HD ARG 3 6.793 2.981 -6.575
19 HD3 ARG 3 3HD ARG 3 6.212 4.466 -5.824
20 HE ARG 3 HE ARG 3 7.975 3.498 -4.012
21 HH11 ARG 3 1HH1 ARG 3 8.159 4.164 -7.424
22 HH12 ARG 3 2HH1 ARG 3 9.850 4.540 -7.392
23 HH21 ARG 3 1HH2 ARG 3 10.201 3.991 -3.957
24 HH22 ARG 3 2HH2 ARG 3 11.011 4.440 -5.420
25 H ILE 4 H ILE 4 4.517 1.822 -0.289
26 HA ILE 4 HA ILE 4 4.805 4.373 1.127
27 HB ILE 4 HB ILE 4 2.870 2.095 1.550
28 HG12 ILE 4 2HG1 ILE 4 2.433 3.486 -0.438
29 HG13 ILE 4 3HG1 ILE 4 1.187 3.696 0.787
30 HG21 ILE 4 1HG2 ILE 4 3.237 2.976 3.696
31 HG22 ILE 4 2HG2 ILE 4 3.311 4.632 3.094
32 HG23 ILE 4 3HG2 ILE 4 1.772 3.772 3.121
33 HD11 ILE 4 3HD1 ILE 4 3.231 5.633 1.208
34 HD12 ILE 4 1HD1 ILE 4 2.734 5.670 -0.483
35 HD13 ILE 4 2HD1 ILE 4 1.534 5.875 0.794
36 H ALA 5 H ALA 5 5.654 1.020 1.306
37 HA ALA 5 HA ALA 5 6.371 1.107 4.106
38 HB1 ALA 5 1HB ALA 5 7.187 -1.184 3.732
39 HB2 ALA 5 2HB ALA 5 5.526 -0.966 3.181
40 HB3 ALA 5 3HB ALA 5 6.844 -1.010 2.011
41 H ALA 6 H ALA 6 7.947 1.456 1.008
42 HA ALA 6 HA ALA 6 10.608 1.067 1.743
43 HB1 ALA 6 1HB ALA 6 9.209 2.015 -0.525
44 HB2 ALA 6 2HB ALA 6 10.475 3.187 -0.153
45 HB3 ALA 6 3HB ALA 6 10.891 1.493 -0.414
46 H ARG 7 H ARG 7 8.447 3.674 2.443
47 HA ARG 7 HA ARG 7 10.629 5.424 3.288
48 HB2 ARG 7 2HB ARG 7 7.988 5.842 2.294
49 HB3 ARG 7 3HB ARG 7 8.082 6.534 3.908
50 HG2 ARG 7 2HG ARG 7 10.216 7.680 3.106
51 HG3 ARG 7 3HG ARG 7 9.698 7.226 1.481
52 HD2 ARG 7 2HD ARG 7 7.489 8.377 2.872
53 HD3 ARG 7 3HD ARG 7 8.881 9.447 3.028
54 HE ARG 7 HE ARG 7 7.396 8.867 0.632
55 HH11 ARG 7 1HH1 ARG 7 10.424 9.981 1.941
56 HH12 ARG 7 2HH1 ARG 7 10.868 10.856 0.513
57 HH21 ARG 7 1HH2 ARG 7 7.970 10.016 -1.253
58 HH22 ARG 7 2HH2 ARG 7 9.472 10.876 -1.302
59 H GLY 8 H GLY 8 8.234 3.284 4.573
60 HA2 GLY 8 2HA GLY 8 8.131 4.325 7.215
61 HA3 GLY 8 3HA GLY 8 7.653 2.708 6.722
62 H ARG 9 H ARG 9 10.310 2.124 5.590
63 HA ARG 9 HA ARG 9 11.525 1.182 8.021
64 HB2 ARG 9 2HB ARG 9 11.428 -0.168 5.926
65 HB3 ARG 9 3HB ARG 9 12.544 0.970 5.184
66 HG2 ARG 9 2HG ARG 9 14.333 0.205 6.366
67 HG3 ARG 9 3HG ARG 9 13.350 -0.293 7.744
68 HD2 ARG 9 2HD ARG 9 12.426 -1.938 5.777
69 HD3 ARG 9 3HD ARG 9 14.127 -1.780 5.341
70 HE ARG 9 HE ARG 9 13.678 -2.379 8.120
71 HH11 ARG 9 1HH1 ARG 9 14.107 -3.698 4.928
72 HH12 ARG 9 2HH1 ARG 9 14.662 -5.237 5.497
73 HH21 ARG 9 1HH2 ARG 9 14.408 -4.401 8.882
74 HH22 ARG 9 2HH2 ARG 9 14.832 -5.637 7.746
75 H ALA 10 H ALA 10 12.105 3.724 5.698
76 HA ALA 10 HA ALA 10 14.757 4.350 6.242
77 HB1 ALA 10 1HB ALA 10 13.453 5.343 4.413
78 HB2 ALA 10 2HB ALA 10 12.537 6.284 5.591
79 HB3 ALA 10 3HB ALA 10 14.266 6.567 5.390
80 H ARG 11 H ARG 11 11.820 5.234 7.980
81 HA ARG 11 HA ARG 11 12.775 7.190 9.674
82 HB2 ARG 11 2HB ARG 11 10.402 6.341 9.487
83 HB3 ARG 11 3HB ARG 11 10.878 4.999 10.519
84 HG2 ARG 11 2HG ARG 11 11.463 6.571 12.296
85 HG3 ARG 11 3HG ARG 11 10.979 7.916 11.260
86 HD2 ARG 11 2HD ARG 11 8.851 6.042 11.308
87 HD3 ARG 11 3HD ARG 11 9.368 6.312 12.972
88 HE ARG 11 HE ARG 11 9.113 8.780 11.628
89 HH11 ARG 11 1HH1 ARG 11 7.198 6.200 12.967
90 HH12 ARG 11 2HH1 ARG 11 5.832 7.213 13.302
91 HH21 ARG 11 1HH2 ARG 11 7.322 10.124 12.065
92 HH22 ARG 11 2HH2 ARG 11 5.904 9.444 12.788
93 H LEU 12 H LEU 12 12.360 3.816 10.743
94 HA LEU 12 HA LEU 12 13.960 3.996 12.999
95 HB2 LEU 12 2HB LEU 12 13.549 1.564 11.266
96 HB3 LEU 12 3HB LEU 12 14.069 1.567 12.949
97 HG LEU 12 HG LEU 12 11.364 2.441 11.936
98 HD11 LEU 12 1HD1 LEU 12 11.367 0.123 11.759
99 HD12 LEU 12 2HD1 LEU 12 10.693 0.411 13.363
100 HD13 LEU 12 3HD1 LEU 12 12.377 -0.083 13.190
101 HD21 LEU 12 3HD2 LEU 12 12.744 3.023 14.361
102 HD22 LEU 12 1HD2 LEU 12 11.395 1.944 14.717
103 HD23 LEU 12 2HD2 LEU 12 11.107 3.471 13.882
104 H ARG 13 H ARG 13 14.845 3.376 9.662
105 HA ARG 13 HA ARG 13 17.448 2.441 10.028
106 HB2 ARG 13 2HB ARG 13 15.955 2.772 7.867
107 HB3 ARG 13 3HB ARG 13 16.850 4.282 7.755
108 HG2 ARG 13 2HG ARG 13 18.082 1.538 7.898
109 HG3 ARG 13 3HG ARG 13 17.862 2.489 6.427
110 HD2 ARG 13 2HD ARG 13 19.607 3.128 8.797
111 HD3 ARG 13 3HD ARG 13 20.117 2.779 7.146
112 HE ARG 13 HE ARG 13 18.512 4.981 6.928
113 HH11 ARG 13 1HH1 ARG 13 21.386 4.179 8.721
114 HH12 ARG 13 2HH1 ARG 13 21.986 5.804 8.739
115 HH21 ARG 13 1HH2 ARG 13 19.292 7.125 6.944
116 HH22 ARG 13 2HH2 ARG 13 20.794 7.479 7.728
117 H ALA 14 H ALA 14 16.363 5.785 9.427
118 HA ALA 14 HA ALA 14 18.843 7.027 9.638
119 HB1 ALA 14 1HB ALA 14 17.700 8.952 9.429
120 HB2 ALA 14 2HB ALA 14 16.333 7.883 9.111
121 HB3 ALA 14 3HB ALA 14 16.575 8.548 10.727
122 H VAL 15 H VAL 15 16.463 6.287 12.159
123 HA VAL 15 HA VAL 15 17.787 7.561 14.286
124 HB VAL 15 HB VAL 15 15.982 5.141 14.401
125 HG11 VAL 15 1HG1 VAL 15 16.786 5.145 16.522
126 HG12 VAL 15 2HG1 VAL 15 17.236 6.851 16.467
127 HG13 VAL 15 3HG1 VAL 15 15.552 6.389 16.720
128 HG21 VAL 15 3HG2 VAL 15 15.420 7.781 13.606
129 HG22 VAL 15 1HG2 VAL 15 14.273 6.484 13.945
130 HG23 VAL 15 2HG2 VAL 15 14.756 7.594 15.229
131 H GLY 16 H GLY 16 18.349 4.534 12.690
132 HA2 GLY 16 2HA GLY 16 19.746 3.171 14.715
133 HA3 GLY 16 3HA GLY 16 19.934 2.902 12.988
134 H ALA 17 H ALA 17 20.941 5.310 12.139
135 HA ALA 17 HA ALA 17 23.670 5.062 12.747
136 HB1 ALA 17 1HB ALA 17 23.893 7.239 11.522
137 HB2 ALA 17 2HB ALA 17 23.037 5.973 10.641
138 HB3 ALA 17 3HB ALA 17 22.133 7.278 11.409
139 H ILE 18 H ILE 18 21.713 7.981 13.344
140 HA ILE 18 HA ILE 18 23.474 9.116 15.190
141 HB ILE 18 HB ILE 18 21.460 10.453 15.949
142 HG12 ILE 18 2HG1 ILE 18 19.939 9.476 13.608
143 HG13 ILE 18 3HG1 ILE 18 20.002 8.379 14.984
144 HG21 ILE 18 1HG2 ILE 18 22.697 11.564 14.373
145 HG22 ILE 18 2HG2 ILE 18 22.486 10.303 13.159
146 HG23 ILE 18 3HG2 ILE 18 21.161 11.410 13.520
147 HD11 ILE 18 3HD1 ILE 18 19.136 10.178 16.419
148 HD12 ILE 18 1HD1 ILE 18 19.007 11.217 15.000
149 HD13 ILE 18 2HD1 ILE 18 18.032 9.751 15.111
Start of MODEL 17
1 H1 ASP 1 H ASP 1 2.178 -0.779 1.335
2 HA ASP 1 HA ASP 1 1.823 -1.458 -1.357
3 HB2 ASP 1 2HB ASP 1 1.688 1.441 -0.726
4 HB3 ASP 1 3HB ASP 1 2.669 0.976 -2.112
5 HA PRO 2 HA PRO 2 6.168 -1.995 -1.115
6 HB2 PRO 2 2HB PRO 2 6.957 -1.581 -3.679
7 HB3 PRO 2 3HB PRO 2 6.063 -3.018 -3.170
8 HG2 PRO 2 2HG PRO 2 5.055 -0.533 -4.501
9 HG3 PRO 2 3HG PRO 2 4.643 -2.225 -4.833
10 HD2 PRO 2 2HD PRO 2 3.047 -0.596 -3.373
11 HD3 PRO 2 3HD PRO 2 3.163 -2.341 -3.070
12 H ARG 3 H ARG 3 5.029 0.982 -2.595
13 HA ARG 3 HA ARG 3 7.608 2.280 -2.238
14 HB2 ARG 3 2HB ARG 3 4.992 3.364 -3.298
15 HB3 ARG 3 3HB ARG 3 6.526 4.223 -3.298
16 HG2 ARG 3 2HG ARG 3 7.187 1.915 -4.584
17 HG3 ARG 3 3HG ARG 3 5.521 2.163 -5.110
18 HD2 ARG 3 2HD ARG 3 7.826 4.087 -5.363
19 HD3 ARG 3 3HD ARG 3 6.984 3.252 -6.667
20 HE ARG 3 HE ARG 3 5.017 4.669 -5.464
21 HH11 ARG 3 1HH1 ARG 3 8.155 5.509 -6.718
22 HH12 ARG 3 2HH1 ARG 3 7.696 7.125 -7.143
23 HH21 ARG 3 1HH2 ARG 3 4.402 6.794 -6.020
24 HH22 ARG 3 2HH2 ARG 3 5.561 7.855 -6.745
25 H ILE 4 H ILE 4 5.020 1.597 -0.314
26 HA ILE 4 HA ILE 4 5.161 4.103 1.200
27 HB ILE 4 HB ILE 4 3.267 1.763 1.437
28 HG12 ILE 4 2HG1 ILE 4 2.917 3.225 -0.526
29 HG13 ILE 4 3HG1 ILE 4 1.588 3.333 0.622
30 HG21 ILE 4 1HG2 ILE 4 3.569 2.629 3.631
31 HG22 ILE 4 2HG2 ILE 4 3.475 4.293 3.054
32 HG23 ILE 4 3HG2 ILE 4 2.040 3.268 3.028
33 HD11 ILE 4 3HD1 ILE 4 2.557 5.420 1.496
34 HD12 ILE 4 1HD1 ILE 4 3.816 5.321 0.265
35 HD13 ILE 4 2HD1 ILE 4 2.130 5.520 -0.212
36 H ALA 5 H ALA 5 6.089 0.768 1.315
37 HA ALA 5 HA ALA 5 6.646 0.774 4.152
38 HB1 ALA 5 1HB ALA 5 6.694 -1.205 1.973
39 HB2 ALA 5 2HB ALA 5 7.883 -1.448 3.253
40 HB3 ALA 5 3HB ALA 5 6.166 -1.368 3.649
41 H ALA 6 H ALA 6 8.383 1.267 1.161
42 HA ALA 6 HA ALA 6 11.008 0.920 2.030
43 HB1 ALA 6 1HB ALA 6 9.712 1.915 -0.278
44 HB2 ALA 6 2HB ALA 6 10.922 3.104 0.205
45 HB3 ALA 6 3HB ALA 6 11.399 1.432 -0.091
46 H ARG 7 H ARG 7 8.743 3.446 2.699
47 HA ARG 7 HA ARG 7 10.828 5.218 3.725
48 HB2 ARG 7 2HB ARG 7 8.318 5.648 2.527
49 HB3 ARG 7 3HB ARG 7 8.146 6.159 4.201
50 HG2 ARG 7 2HG ARG 7 10.267 7.509 3.849
51 HG3 ARG 7 3HG ARG 7 10.052 7.189 2.127
52 HD2 ARG 7 2HD ARG 7 7.554 8.040 3.080
53 HD3 ARG 7 3HD ARG 7 8.744 9.122 3.801
54 HE ARG 7 HE ARG 7 9.274 8.803 1.048
55 HH11 ARG 7 1HH1 ARG 7 7.026 10.323 3.229
56 HH12 ARG 7 2HH1 ARG 7 6.630 11.606 2.134
57 HH21 ARG 7 1HH2 ARG 7 8.760 10.487 -0.402
58 HH22 ARG 7 2HH2 ARG 7 7.616 11.697 0.069
59 H GLY 8 H GLY 8 8.426 2.972 4.799
60 HA2 GLY 8 2HA GLY 8 8.148 3.914 7.465
61 HA3 GLY 8 3HA GLY 8 7.744 2.304 6.891
62 H ARG 9 H ARG 9 10.473 1.830 5.890
63 HA ARG 9 HA ARG 9 11.598 0.909 8.391
64 HB2 ARG 9 2HB ARG 9 11.534 -0.514 6.341
65 HB3 ARG 9 3HB ARG 9 12.679 0.588 5.588
66 HG2 ARG 9 2HG ARG 9 14.111 0.061 7.719
67 HG3 ARG 9 3HG ARG 9 13.100 -1.385 7.772
68 HD2 ARG 9 2HD ARG 9 13.889 -1.111 5.102
69 HD3 ARG 9 3HD ARG 9 15.330 -0.768 6.058
70 HE ARG 9 HE ARG 9 14.397 -3.021 7.196
71 HH11 ARG 9 1HH1 ARG 9 15.025 -2.139 3.887
72 HH12 ARG 9 2HH1 ARG 9 15.413 -3.753 3.393
73 HH21 ARG 9 1HH2 ARG 9 14.906 -5.151 6.558
74 HH22 ARG 9 2HH2 ARG 9 15.344 -5.466 4.913
75 H ALA 10 H ALA 10 12.243 3.358 5.984
76 HA ALA 10 HA ALA 10 14.892 3.982 6.640
77 HB1 ALA 10 1HB ALA 10 14.661 5.809 5.281
78 HB2 ALA 10 2HB ALA 10 13.310 4.825 4.716
79 HB3 ALA 10 3HB ALA 10 13.023 6.155 5.838
80 H ARG 11 H ARG 11 11.851 4.927 8.117
81 HA ARG 11 HA ARG 11 12.629 7.072 9.667
82 HB2 ARG 11 2HB ARG 11 10.309 6.095 9.446
83 HB3 ARG 11 3HB ARG 11 10.790 4.876 10.620
84 HG2 ARG 11 2HG ARG 11 11.211 6.629 12.270
85 HG3 ARG 11 3HG ARG 11 10.723 7.850 11.092
86 HD2 ARG 11 2HD ARG 11 8.648 5.974 11.137
87 HD3 ARG 11 3HD ARG 11 9.100 6.219 12.824
88 HE ARG 11 HE ARG 11 8.258 8.350 12.710
89 HH11 ARG 11 1HH1 ARG 11 8.577 7.058 9.493
90 HH12 ARG 11 2HH1 ARG 11 7.721 8.365 8.743
91 HH21 ARG 11 1HH2 ARG 11 7.131 10.076 11.734
92 HH22 ARG 11 2HH2 ARG 11 6.900 10.081 10.019
93 H LEU 12 H LEU 12 12.310 3.793 11.023
94 HA LEU 12 HA LEU 12 13.767 4.243 13.330
95 HB2 LEU 12 2HB LEU 12 13.665 1.643 11.812
96 HB3 LEU 12 3HB LEU 12 13.964 1.855 13.536
97 HG LEU 12 HG LEU 12 11.361 2.478 12.143
98 HD11 LEU 12 1HD1 LEU 12 10.614 0.406 12.601
99 HD12 LEU 12 2HD1 LEU 12 11.534 0.288 14.101
100 HD13 LEU 12 3HD1 LEU 12 12.328 -0.006 12.554
101 HD21 LEU 12 3HD2 LEU 12 11.730 2.155 15.089
102 HD22 LEU 12 1HD2 LEU 12 10.479 3.026 14.201
103 HD23 LEU 12 2HD2 LEU 12 12.106 3.698 14.320
104 H ARG 13 H ARG 13 14.887 3.376 10.116
105 HA ARG 13 HA ARG 13 17.515 2.658 10.716
106 HB2 ARG 13 2HB ARG 13 16.139 2.677 8.455
107 HB3 ARG 13 3HB ARG 13 16.945 4.225 8.240
108 HG2 ARG 13 2HG ARG 13 18.333 1.597 8.725
109 HG3 ARG 13 3HG ARG 13 18.145 2.385 7.157
110 HD2 ARG 13 2HD ARG 13 19.245 4.409 8.481
111 HD3 ARG 13 3HD ARG 13 19.899 3.086 9.447
112 HE ARG 13 HE ARG 13 20.721 3.854 6.840
113 HH11 ARG 13 1HH1 ARG 13 20.266 1.082 8.895
114 HH12 ARG 13 2HH1 ARG 13 21.463 0.124 8.088
115 HH21 ARG 13 1HH2 ARG 13 22.299 2.603 5.769
116 HH22 ARG 13 2HH2 ARG 13 22.619 0.990 6.311
117 H ALA 14 H ALA 14 16.360 5.836 9.570
118 HA ALA 14 HA ALA 14 18.765 7.205 9.950
119 HB1 ALA 14 1HB ALA 14 16.116 8.558 10.284
120 HB2 ALA 14 2HB ALA 14 17.588 9.158 9.519
121 HB3 ALA 14 3HB ALA 14 16.615 7.926 8.715
122 H VAL 15 H VAL 15 16.044 6.681 12.147
123 HA VAL 15 HA VAL 15 16.929 8.367 14.223
124 HB VAL 15 HB VAL 15 15.238 5.873 14.448
125 HG11 VAL 15 1HG1 VAL 15 14.337 7.162 16.461
126 HG12 VAL 15 2HG1 VAL 15 15.927 6.415 16.623
127 HG13 VAL 15 3HG1 VAL 15 15.792 8.149 16.327
128 HG21 VAL 15 3HG2 VAL 15 14.696 8.267 13.100
129 HG22 VAL 15 1HG2 VAL 15 13.554 6.993 13.527
130 HG23 VAL 15 2HG2 VAL 15 13.800 8.357 14.617
131 H GLY 16 H GLY 16 17.792 5.116 13.300
132 HA2 GLY 16 2HA GLY 16 19.217 4.643 15.800
133 HA3 GLY 16 3HA GLY 16 19.037 3.506 14.472
134 H ALA 17 H ALA 17 19.881 5.690 12.566
135 HA ALA 17 HA ALA 17 22.580 4.994 12.343
136 HB1 ALA 17 1HB ALA 17 22.709 6.530 10.566
137 HB2 ALA 17 2HB ALA 17 21.045 5.942 10.553
138 HB3 ALA 17 3HB ALA 17 21.415 7.529 11.228
139 H ILE 18 H ILE 18 21.283 8.209 13.204
140 HA ILE 18 HA ILE 18 23.712 9.298 14.045
141 HB ILE 18 HB ILE 18 22.273 10.905 15.374
142 HG12 ILE 18 2HG1 ILE 18 19.897 9.797 13.960
143 HG13 ILE 18 3HG1 ILE 18 20.426 8.978 15.426
144 HG21 ILE 18 1HG2 ILE 18 22.187 12.120 13.510
145 HG22 ILE 18 2HG2 ILE 18 22.754 10.684 12.659
146 HG23 ILE 18 3HG2 ILE 18 21.026 11.025 12.761
147 HD11 ILE 18 3HD1 ILE 18 20.369 11.300 16.504
148 HD12 ILE 18 1HD1 ILE 18 19.419 11.774 15.096
149 HD13 ILE 18 2HD1 ILE 18 18.836 10.497 16.165
Start of MODEL 18
1 H1 ASP 1 H ASP 1 1.170 0.544 0.578
2 HA ASP 1 HA ASP 1 1.324 -1.179 -1.808
3 HB2 ASP 1 2HB ASP 1 1.209 1.777 -1.562
4 HB3 ASP 1 3HB ASP 1 2.318 1.126 -2.766
5 HA PRO 2 HA PRO 2 5.604 -1.756 -1.048
6 HB2 PRO 2 2HB PRO 2 6.661 -1.687 -3.548
7 HB3 PRO 2 3HB PRO 2 5.676 -3.031 -2.958
8 HG2 PRO 2 2HG PRO 2 4.885 -0.720 -4.688
9 HG3 PRO 2 3HG PRO 2 4.457 -2.434 -4.846
10 HD2 PRO 2 2HD PRO 2 2.772 -0.604 -3.777
11 HD3 PRO 2 3HD PRO 2 2.803 -2.298 -3.246
12 H ARG 3 H ARG 3 4.604 1.086 -2.788
13 HA ARG 3 HA ARG 3 7.209 2.356 -2.524
14 HB2 ARG 3 2HB ARG 3 4.609 3.417 -3.645
15 HB3 ARG 3 3HB ARG 3 6.159 4.245 -3.706
16 HG2 ARG 3 2HG ARG 3 6.276 1.557 -4.806
17 HG3 ARG 3 3HG ARG 3 5.123 2.599 -5.643
18 HD2 ARG 3 2HD ARG 3 7.230 2.840 -6.730
19 HD3 ARG 3 3HD ARG 3 6.932 4.318 -5.816
20 HE ARG 3 HE ARG 3 8.408 2.593 -4.196
21 HH11 ARG 3 1HH1 ARG 3 8.783 4.382 -7.159
22 HH12 ARG 3 2HH1 ARG 3 10.494 4.583 -6.974
23 HH21 ARG 3 1HH2 ARG 3 10.660 2.851 -3.941
24 HH22 ARG 3 2HH2 ARG 3 11.561 3.711 -5.143
25 H ILE 4 H ILE 4 4.617 1.849 -0.552
26 HA ILE 4 HA ILE 4 4.810 4.446 0.794
27 HB ILE 4 HB ILE 4 2.874 2.163 1.189
28 HG12 ILE 4 2HG1 ILE 4 2.451 4.965 0.128
29 HG13 ILE 4 3HG1 ILE 4 2.566 3.518 -0.868
30 HG21 ILE 4 1HG2 ILE 4 3.126 4.793 2.634
31 HG22 ILE 4 2HG2 ILE 4 1.682 3.784 2.684
32 HG23 ILE 4 3HG2 ILE 4 3.207 3.171 3.321
33 HD11 ILE 4 3HD1 ILE 4 0.578 2.625 0.334
34 HD12 ILE 4 1HD1 ILE 4 0.427 4.190 1.133
35 HD13 ILE 4 2HD1 ILE 4 0.268 4.075 -0.620
36 H ALA 5 H ALA 5 5.676 1.109 1.125
37 HA ALA 5 HA ALA 5 6.245 1.291 3.954
38 HB1 ALA 5 1HB ALA 5 7.416 -1.009 3.263
39 HB2 ALA 5 2HB ALA 5 5.680 -0.864 3.545
40 HB3 ALA 5 3HB ALA 5 6.311 -0.834 1.899
41 H ALA 6 H ALA 6 7.977 1.560 0.933
42 HA ALA 6 HA ALA 6 10.599 1.218 1.814
43 HB1 ALA 6 1HB ALA 6 10.991 1.584 -0.336
44 HB2 ALA 6 2HB ALA 6 9.314 2.084 -0.550
45 HB3 ALA 6 3HB ALA 6 10.546 3.280 -0.148
46 H ARG 7 H ARG 7 8.385 3.824 2.324
47 HA ARG 7 HA ARG 7 10.507 5.619 3.227
48 HB2 ARG 7 2HB ARG 7 7.976 6.008 2.032
49 HB3 ARG 7 3HB ARG 7 7.868 6.666 3.659
50 HG2 ARG 7 2HG ARG 7 10.128 7.812 3.035
51 HG3 ARG 7 3HG ARG 7 9.588 7.516 1.381
52 HD2 ARG 7 2HD ARG 7 7.352 8.543 2.666
53 HD3 ARG 7 3HD ARG 7 8.694 9.494 3.300
54 HE ARG 7 HE ARG 7 7.592 9.638 0.683
55 HH11 ARG 7 1HH1 ARG 7 10.574 9.901 2.461
56 HH12 ARG 7 2HH1 ARG 7 11.319 10.961 1.310
57 HH21 ARG 7 1HH2 ARG 7 8.561 11.033 -0.839
58 HH22 ARG 7 2HH2 ARG 7 10.172 11.605 -0.566
59 H GLY 8 H GLY 8 8.065 3.496 4.451
60 HA2 GLY 8 2HA GLY 8 7.817 4.615 7.052
61 HA3 GLY 8 3HA GLY 8 7.377 2.979 6.583
62 H ARG 9 H ARG 9 10.088 2.377 5.610
63 HA ARG 9 HA ARG 9 11.183 1.512 8.122
64 HB2 ARG 9 2HB ARG 9 11.242 0.070 6.129
65 HB3 ARG 9 3HB ARG 9 12.278 1.237 5.318
66 HG2 ARG 9 2HG ARG 9 14.091 0.356 6.235
67 HG3 ARG 9 3HG ARG 9 13.404 0.499 7.855
68 HD2 ARG 9 2HD ARG 9 12.124 -1.600 7.408
69 HD3 ARG 9 3HD ARG 9 13.020 -1.760 5.898
70 HE ARG 9 HE ARG 9 14.811 -2.521 7.093
71 HH11 ARG 9 1HH1 ARG 9 12.624 -0.892 9.257
72 HH12 ARG 9 2HH1 ARG 9 13.495 -1.342 10.686
73 HH21 ARG 9 1HH2 ARG 9 15.966 -3.120 8.966
74 HH22 ARG 9 2HH2 ARG 9 15.396 -2.609 10.519
75 H ALA 10 H ALA 10 11.782 4.076 5.860
76 HA ALA 10 HA ALA 10 14.409 4.749 6.400
77 HB1 ALA 10 1HB ALA 10 13.998 6.690 5.294
78 HB2 ALA 10 2HB ALA 10 12.546 5.806 4.823
79 HB3 ALA 10 3HB ALA 10 12.476 6.980 6.137
80 H ARG 11 H ARG 11 11.536 5.288 8.324
81 HA ARG 11 HA ARG 11 12.377 7.247 10.074
82 HB2 ARG 11 2HB ARG 11 10.107 6.142 9.979
83 HB3 ARG 11 3HB ARG 11 10.797 4.811 10.897
84 HG2 ARG 11 2HG ARG 11 11.320 6.343 12.728
85 HG3 ARG 11 3HG ARG 11 10.622 7.676 11.806
86 HD2 ARG 11 2HD ARG 11 9.062 5.198 12.485
87 HD3 ARG 11 3HD ARG 11 9.147 6.584 13.572
88 HE ARG 11 HE ARG 11 8.377 7.385 10.962
89 HH11 ARG 11 1HH1 ARG 11 7.183 5.836 13.842
90 HH12 ARG 11 2HH1 ARG 11 5.537 6.302 13.567
91 HH21 ARG 11 1HH2 ARG 11 6.214 8.005 10.589
92 HH22 ARG 11 2HH2 ARG 11 4.987 7.535 11.716
93 H LEU 12 H LEU 12 12.414 3.796 10.960
94 HA LEU 12 HA LEU 12 14.164 4.068 13.108
95 HB2 LEU 12 2HB LEU 12 13.951 1.621 11.370
96 HB3 LEU 12 3HB LEU 12 14.384 1.698 13.077
97 HG LEU 12 HG LEU 12 11.661 2.184 11.873
98 HD11 LEU 12 1HD1 LEU 12 11.863 -0.101 11.971
99 HD12 LEU 12 2HD1 LEU 12 11.218 0.250 13.574
100 HD13 LEU 12 3HD1 LEU 12 12.942 -0.057 13.365
101 HD21 LEU 12 3HD2 LEU 12 11.817 3.708 13.660
102 HD22 LEU 12 1HD2 LEU 12 12.695 2.559 14.670
103 HD23 LEU 12 2HD2 LEU 12 10.987 2.298 14.318
104 H ARG 13 H ARG 13 14.795 3.834 9.698
105 HA ARG 13 HA ARG 13 17.457 3.001 9.717
106 HB2 ARG 13 2HB ARG 13 15.764 3.529 7.753
107 HB3 ARG 13 3HB ARG 13 16.581 5.087 7.770
108 HG2 ARG 13 2HG ARG 13 17.935 2.417 7.439
109 HG3 ARG 13 3HG ARG 13 17.544 3.539 6.134
110 HD2 ARG 13 2HD ARG 13 18.896 5.176 7.803
111 HD3 ARG 13 3HD ARG 13 19.691 3.641 8.149
112 HE ARG 13 HE ARG 13 19.973 5.214 5.796
113 HH11 ARG 13 1HH1 ARG 13 19.917 1.934 6.962
114 HH12 ARG 13 2HH1 ARG 13 20.908 1.323 5.678
115 HH21 ARG 13 1HH2 ARG 13 21.278 4.422 4.101
116 HH22 ARG 13 2HH2 ARG 13 21.682 2.740 4.052
117 H ALA 14 H ALA 14 16.211 6.342 9.594
118 HA ALA 14 HA ALA 14 18.663 7.644 9.815
119 HB1 ALA 14 1HB ALA 14 16.857 8.976 9.179
120 HB2 ALA 14 2HB ALA 14 15.868 8.451 10.542
121 HB3 ALA 14 3HB ALA 14 17.237 9.530 10.810
122 H VAL 15 H VAL 15 16.542 6.335 12.300
123 HA VAL 15 HA VAL 15 17.875 7.495 14.519
124 HB VAL 15 HB VAL 15 16.210 4.975 14.430
125 HG11 VAL 15 1HG1 VAL 15 17.243 4.850 16.481
126 HG12 VAL 15 2HG1 VAL 15 17.363 6.603 16.649
127 HG13 VAL 15 3HG1 VAL 15 15.810 5.797 16.881
128 HG21 VAL 15 3HG2 VAL 15 15.528 7.828 14.346
129 HG22 VAL 15 1HG2 VAL 15 14.589 6.419 13.853
130 HG23 VAL 15 2HG2 VAL 15 14.643 6.893 15.551
131 H GLY 16 H GLY 16 18.157 4.355 12.893
132 HA2 GLY 16 2HA GLY 16 20.030 3.225 14.676
133 HA3 GLY 16 3HA GLY 16 19.763 2.718 13.015
134 H ALA 17 H ALA 17 20.388 5.539 12.127
135 HA ALA 17 HA ALA 17 23.154 5.114 11.618
136 HB1 ALA 17 1HB ALA 17 22.322 7.831 11.128
137 HB2 ALA 17 2HB ALA 17 22.803 6.578 9.984
138 HB3 ALA 17 3HB ALA 17 21.127 6.683 10.524
139 H ILE 18 H ILE 18 21.582 7.887 13.226
140 HA ILE 18 HA ILE 18 23.913 8.927 14.358
141 HB ILE 18 HB ILE 18 22.345 10.049 16.002
142 HG12 ILE 18 2HG1 ILE 18 20.074 9.124 14.310
143 HG13 ILE 18 3HG1 ILE 18 20.660 8.031 15.559
144 HG21 ILE 18 1HG2 ILE 18 22.532 11.581 14.400
145 HG22 ILE 18 2HG2 ILE 18 22.562 10.350 13.138
146 HG23 ILE 18 3HG2 ILE 18 21.020 10.962 13.737
147 HD11 ILE 18 3HD1 ILE 18 19.511 9.137 17.082
148 HD12 ILE 18 1HD1 ILE 18 20.372 10.624 16.686
149 HD13 ILE 18 2HD1 ILE 18 18.891 10.206 15.823
Start of MODEL 19
1 H1 ASP 1 H ASP 1 1.145 -1.697 1.018
2 HA ASP 1 HA ASP 1 1.593 -1.686 -1.235
3 HB2 ASP 1 2HB ASP 1 1.319 1.181 -0.674
4 HB3 ASP 1 3HB ASP 1 2.427 0.821 -1.995
5 HA PRO 2 HA PRO 2 5.948 -2.192 -1.308
6 HB2 PRO 2 2HB PRO 2 6.537 -1.852 -3.936
7 HB3 PRO 2 3HB PRO 2 5.695 -3.277 -3.317
8 HG2 PRO 2 2HG PRO 2 4.571 -0.839 -4.641
9 HG3 PRO 2 3HG PRO 2 4.148 -2.543 -4.890
10 HD2 PRO 2 2HD PRO 2 2.654 -0.879 -3.363
11 HD3 PRO 2 3HD PRO 2 2.806 -2.614 -3.017
12 H ARG 3 H ARG 3 4.721 0.709 -2.901
13 HA ARG 3 HA ARG 3 7.301 2.035 -2.679
14 HB2 ARG 3 2HB ARG 3 4.658 3.043 -3.747
15 HB3 ARG 3 3HB ARG 3 6.188 3.906 -3.832
16 HG2 ARG 3 2HG ARG 3 6.436 1.258 -4.943
17 HG3 ARG 3 3HG ARG 3 5.131 2.159 -5.718
18 HD2 ARG 3 2HD ARG 3 7.399 2.416 -6.775
19 HD3 ARG 3 3HD ARG 3 6.593 3.921 -6.332
20 HE ARG 3 HE ARG 3 8.279 3.048 -4.235
21 HH11 ARG 3 1HH1 ARG 3 8.366 4.491 -7.402
22 HH12 ARG 3 2HH1 ARG 3 9.862 5.320 -7.126
23 HH21 ARG 3 1HH2 ARG 3 10.249 4.135 -3.859
24 HH22 ARG 3 2HH2 ARG 3 10.933 5.116 -5.111
25 H ILE 4 H ILE 4 4.757 1.462 -0.662
26 HA ILE 4 HA ILE 4 4.918 4.056 0.693
27 HB ILE 4 HB ILE 4 3.040 1.730 1.111
28 HG12 ILE 4 2HG1 ILE 4 2.635 3.061 -0.928
29 HG13 ILE 4 3HG1 ILE 4 1.337 3.251 0.245
30 HG21 ILE 4 1HG2 ILE 4 1.844 3.502 2.564
31 HG22 ILE 4 2HG2 ILE 4 3.218 2.630 3.241
32 HG23 ILE 4 3HG2 ILE 4 3.428 4.274 2.638
33 HD11 ILE 4 3HD1 ILE 4 2.350 5.386 0.956
34 HD12 ILE 4 1HD1 ILE 4 3.556 5.201 -0.317
35 HD13 ILE 4 2HD1 ILE 4 1.851 5.377 -0.735
36 H ALA 5 H ALA 5 5.862 0.737 0.991
37 HA ALA 5 HA ALA 5 6.478 0.919 3.810
38 HB1 ALA 5 1HB ALA 5 7.190 -1.348 3.650
39 HB2 ALA 5 2HB ALA 5 5.717 -1.189 2.691
40 HB3 ALA 5 3HB ALA 5 7.287 -1.256 1.891
41 H ALA 6 H ALA 6 8.150 1.237 0.759
42 HA ALA 6 HA ALA 6 10.794 0.951 1.594
43 HB1 ALA 6 1HB ALA 6 11.140 1.328 -0.562
44 HB2 ALA 6 2HB ALA 6 9.448 1.795 -0.745
45 HB3 ALA 6 3HB ALA 6 10.663 3.015 -0.362
46 H ARG 7 H ARG 7 8.532 3.506 2.148
47 HA ARG 7 HA ARG 7 10.630 5.344 3.021
48 HB2 ARG 7 2HB ARG 7 8.090 5.690 1.850
49 HB3 ARG 7 3HB ARG 7 7.959 6.315 3.489
50 HG2 ARG 7 2HG ARG 7 10.320 7.398 2.686
51 HG3 ARG 7 3HG ARG 7 9.405 7.374 1.178
52 HD2 ARG 7 2HD ARG 7 7.568 8.279 3.022
53 HD3 ARG 7 3HD ARG 7 9.071 9.038 3.544
54 HE ARG 7 HE ARG 7 8.665 9.305 0.736
55 HH11 ARG 7 1HH1 ARG 7 7.732 10.591 3.833
56 HH12 ARG 7 2HH1 ARG 7 7.344 12.161 3.211
57 HH21 ARG 7 1HH2 ARG 7 8.157 11.367 -0.096
58 HH22 ARG 7 2HH2 ARG 7 7.585 12.601 0.976
59 H GLY 8 H GLY 8 8.253 3.168 4.279
60 HA2 GLY 8 2HA GLY 8 8.026 4.276 6.886
61 HA3 GLY 8 3HA GLY 8 7.611 2.633 6.421
62 H ARG 9 H ARG 9 10.321 2.095 5.399
63 HA ARG 9 HA ARG 9 11.479 1.274 7.906
64 HB2 ARG 9 2HB ARG 9 11.452 -0.157 5.848
65 HB3 ARG 9 3HB ARG 9 12.607 0.953 5.122
66 HG2 ARG 9 2HG ARG 9 14.336 0.176 6.348
67 HG3 ARG 9 3HG ARG 9 13.332 -0.141 7.764
68 HD2 ARG 9 2HD ARG 9 13.107 -1.799 5.272
69 HD3 ARG 9 3HD ARG 9 14.319 -2.149 6.504
70 HE ARG 9 HE ARG 9 11.539 -2.737 6.633
71 HH11 ARG 9 1HH1 ARG 9 14.279 -1.813 8.572
72 HH12 ARG 9 2HH1 ARG 9 13.653 -2.518 10.026
73 HH21 ARG 9 1HH2 ARG 9 10.705 -3.669 8.540
74 HH22 ARG 9 2HH2 ARG 9 11.621 -3.575 10.006
75 H ALA 10 H ALA 10 12.062 3.725 5.491
76 HA ALA 10 HA ALA 10 14.681 4.436 5.992
77 HB1 ALA 10 1HB ALA 10 12.452 5.580 4.663
78 HB2 ALA 10 2HB ALA 10 13.197 6.833 5.657
79 HB3 ALA 10 3HB ALA 10 14.164 5.960 4.468
80 H ARG 11 H ARG 11 11.770 5.314 7.792
81 HA ARG 11 HA ARG 11 12.771 7.255 9.477
82 HB2 ARG 11 2HB ARG 11 10.387 6.431 9.324
83 HB3 ARG 11 3HB ARG 11 10.865 5.081 10.345
84 HG2 ARG 11 2HG ARG 11 11.494 6.643 12.118
85 HG3 ARG 11 3HG ARG 11 11.008 7.995 11.092
86 HD2 ARG 11 2HD ARG 11 8.813 6.300 11.074
87 HD3 ARG 11 3HD ARG 11 9.394 6.235 12.737
88 HE ARG 11 HE ARG 11 8.060 8.407 11.488
89 HH11 ARG 11 1HH1 ARG 11 10.540 7.647 13.810
90 HH12 ARG 11 2HH1 ARG 11 10.339 9.119 14.702
91 HH21 ARG 11 1HH2 ARG 11 7.786 10.349 12.654
92 HH22 ARG 11 2HH2 ARG 11 8.772 10.654 14.044
93 H LEU 12 H LEU 12 12.339 3.883 10.544
94 HA LEU 12 HA LEU 12 13.969 4.036 12.776
95 HB2 LEU 12 2HB LEU 12 13.454 1.645 11.014
96 HB3 LEU 12 3HB LEU 12 14.110 1.583 12.649
97 HG LEU 12 HG LEU 12 11.391 2.721 12.048
98 HD11 LEU 12 1HD1 LEU 12 11.030 0.579 11.306
99 HD12 LEU 12 2HD1 LEU 12 10.701 0.398 13.029
100 HD13 LEU 12 3HD1 LEU 12 12.254 -0.115 12.369
101 HD21 LEU 12 3HD2 LEU 12 12.103 3.390 14.177
102 HD22 LEU 12 1HD2 LEU 12 12.853 1.829 14.514
103 HD23 LEU 12 2HD2 LEU 12 11.096 1.972 14.473
104 H ARG 13 H ARG 13 14.816 3.526 9.424
105 HA ARG 13 HA ARG 13 17.403 2.525 9.716
106 HB2 ARG 13 2HB ARG 13 15.897 2.992 7.590
107 HB3 ARG 13 3HB ARG 13 16.820 4.488 7.544
108 HG2 ARG 13 2HG ARG 13 18.000 1.717 7.536
109 HG3 ARG 13 3HG ARG 13 17.785 2.746 6.118
110 HD2 ARG 13 2HD ARG 13 19.549 3.257 8.506
111 HD3 ARG 13 3HD ARG 13 20.057 2.936 6.848
112 HE ARG 13 HE ARG 13 18.476 5.193 6.739
113 HH11 ARG 13 1HH1 ARG 13 21.436 4.234 8.300
114 HH12 ARG 13 2HH1 ARG 13 22.103 5.833 8.307
115 HH21 ARG 13 1HH2 ARG 13 19.343 7.302 6.742
116 HH22 ARG 13 2HH2 ARG 13 20.911 7.578 7.421
117 H ALA 14 H ALA 14 16.361 5.912 9.331
118 HA ALA 14 HA ALA 14 18.907 7.058 9.621
119 HB1 ALA 14 1HB ALA 14 17.621 8.725 8.883
120 HB2 ALA 14 2HB ALA 14 16.153 7.993 9.531
121 HB3 ALA 14 3HB ALA 14 17.182 8.976 10.573
122 H VAL 15 H VAL 15 16.380 6.349 12.001
123 HA VAL 15 HA VAL 15 17.580 7.556 14.223
124 HB VAL 15 HB VAL 15 15.800 5.116 14.163
125 HG11 VAL 15 1HG1 VAL 15 15.232 5.882 16.499
126 HG12 VAL 15 2HG1 VAL 15 16.843 5.192 16.291
127 HG13 VAL 15 3HG1 VAL 15 16.638 6.941 16.405
128 HG21 VAL 15 3HG2 VAL 15 14.371 6.642 13.303
129 HG22 VAL 15 1HG2 VAL 15 14.220 7.130 14.991
130 HG23 VAL 15 2HG2 VAL 15 15.299 8.013 13.910
131 H GLY 16 H GLY 16 18.127 4.449 12.700
132 HA2 GLY 16 2HA GLY 16 19.665 3.343 14.845
133 HA3 GLY 16 3HA GLY 16 19.571 2.723 13.204
134 H ALA 17 H ALA 17 20.378 5.439 12.178
135 HA ALA 17 HA ALA 17 23.176 4.925 12.055
136 HB1 ALA 17 1HB ALA 17 22.477 7.591 11.208
137 HB2 ALA 17 2HB ALA 17 23.065 6.226 10.257
138 HB3 ALA 17 3HB ALA 17 21.338 6.404 10.570
139 H ILE 18 H ILE 18 21.359 7.713 13.352
140 HA ILE 18 HA ILE 18 23.533 8.984 14.558
141 HB ILE 18 HB ILE 18 21.790 10.047 16.059
142 HG12 ILE 18 2HG1 ILE 18 19.642 8.999 14.326
143 HG13 ILE 18 3HG1 ILE 18 20.300 7.845 15.481
144 HG21 ILE 18 1HG2 ILE 18 21.338 10.109 13.078
145 HG22 ILE 18 2HG2 ILE 18 20.783 11.328 14.224
146 HG23 ILE 18 3HG2 ILE 18 22.510 11.072 13.977
147 HD11 ILE 18 3HD1 ILE 18 19.910 10.180 16.941
148 HD12 ILE 18 1HD1 ILE 18 18.491 10.037 15.905
149 HD13 ILE 18 2HD1 ILE 18 18.931 8.714 16.984
Start of MODEL 20
1 H1 ASP 1 H ASP 1 2.451 -0.690 1.776
2 HA ASP 1 HA ASP 1 1.664 -1.377 -0.871
3 HB2 ASP 1 2HB ASP 1 1.277 1.365 -0.036
4 HB3 ASP 1 3HB ASP 1 2.458 1.272 -1.341
5 HA PRO 2 HA PRO 2 5.997 -1.811 -1.393
6 HB2 PRO 2 2HB PRO 2 6.335 -1.228 -4.023
7 HB3 PRO 2 3HB PRO 2 5.563 -2.715 -3.460
8 HG2 PRO 2 2HG PRO 2 4.304 -0.185 -4.448
9 HG3 PRO 2 3HG PRO 2 3.870 -1.866 -4.810
10 HD2 PRO 2 2HD PRO 2 2.516 -0.368 -3.006
11 HD3 PRO 2 3HD PRO 2 2.711 -2.124 -2.835
12 H ARG 3 H ARG 3 4.669 1.177 -2.773
13 HA ARG 3 HA ARG 3 7.242 2.513 -2.519
14 HB2 ARG 3 2HB ARG 3 4.579 3.546 -3.513
15 HB3 ARG 3 3HB ARG 3 6.101 4.424 -3.577
16 HG2 ARG 3 2HG ARG 3 5.507 1.837 -5.000
17 HG3 ARG 3 3HG ARG 3 5.531 3.442 -5.734
18 HD2 ARG 3 2HD ARG 3 7.852 1.992 -4.470
19 HD3 ARG 3 3HD ARG 3 7.615 2.312 -6.187
20 HE ARG 3 HE ARG 3 7.601 4.751 -4.808
21 HH11 ARG 3 1HH1 ARG 3 9.789 2.178 -5.652
22 HH12 ARG 3 2HH1 ARG 3 11.189 3.199 -5.669
23 HH21 ARG 3 1HH2 ARG 3 9.436 6.105 -4.827
24 HH22 ARG 3 2HH2 ARG 3 10.987 5.432 -5.199
25 H ILE 4 H ILE 4 4.724 1.830 -0.503
26 HA ILE 4 HA ILE 4 4.879 4.363 0.964
27 HB ILE 4 HB ILE 4 3.023 2.006 1.298
28 HG12 ILE 4 2HG1 ILE 4 2.593 3.428 -0.677
29 HG13 ILE 4 3HG1 ILE 4 1.300 3.543 0.512
30 HG21 ILE 4 1HG2 ILE 4 1.852 3.826 2.801
31 HG22 ILE 4 2HG2 ILE 4 3.096 2.761 3.453
32 HG23 ILE 4 3HG2 ILE 4 3.506 4.409 2.980
33 HD11 ILE 4 3HD1 ILE 4 3.166 5.569 1.112
34 HD12 ILE 4 1HD1 ILE 4 2.873 5.615 -0.626
35 HD13 ILE 4 2HD1 ILE 4 1.521 5.738 0.500
36 H ALA 5 H ALA 5 5.852 1.042 1.105
37 HA ALA 5 HA ALA 5 6.496 1.104 3.923
38 HB1 ALA 5 1HB ALA 5 7.504 -1.145 3.438
39 HB2 ALA 5 2HB ALA 5 5.785 -0.997 3.068
40 HB3 ALA 5 3HB ALA 5 6.975 -0.943 1.767
41 H ALA 6 H ALA 6 8.122 1.607 0.879
42 HA ALA 6 HA ALA 6 10.781 1.291 1.664
43 HB1 ALA 6 1HB ALA 6 11.109 1.795 -0.470
44 HB2 ALA 6 2HB ALA 6 9.405 2.226 -0.616
45 HB3 ALA 6 3HB ALA 6 10.592 3.456 -0.183
46 H ARG 7 H ARG 7 8.507 3.799 2.370
47 HA ARG 7 HA ARG 7 10.601 5.605 3.315
48 HB2 ARG 7 2HB ARG 7 7.973 5.953 2.261
49 HB3 ARG 7 3HB ARG 7 8.003 6.613 3.890
50 HG2 ARG 7 2HG ARG 7 10.194 7.768 3.079
51 HG3 ARG 7 3HG ARG 7 9.528 7.460 1.474
52 HD2 ARG 7 2HD ARG 7 7.517 8.538 3.238
53 HD3 ARG 7 3HD ARG 7 8.931 9.590 3.181
54 HE ARG 7 HE ARG 7 8.454 9.048 0.573
55 HH11 ARG 7 1HH1 ARG 7 6.471 10.233 3.178
56 HH12 ARG 7 2HH1 ARG 7 5.444 11.170 2.143
57 HH21 ARG 7 1HH2 ARG 7 7.110 10.278 -0.799
58 HH22 ARG 7 2HH2 ARG 7 5.808 11.194 -0.118
59 H GLY 8 H GLY 8 8.254 3.349 4.482
60 HA2 GLY 8 2HA GLY 8 8.046 4.324 7.145
61 HA3 GLY 8 3HA GLY 8 7.631 2.706 6.601
62 H ARG 9 H ARG 9 10.299 2.172 5.537
63 HA ARG 9 HA ARG 9 11.503 1.279 7.999
64 HB2 ARG 9 2HB ARG 9 11.422 -0.135 5.954
65 HB3 ARG 9 3HB ARG 9 12.513 0.996 5.165
66 HG2 ARG 9 2HG ARG 9 14.245 -0.101 5.989
67 HG3 ARG 9 3HG ARG 9 13.689 0.245 7.628
68 HD2 ARG 9 2HD ARG 9 12.299 -1.747 7.600
69 HD3 ARG 9 3HD ARG 9 12.774 -2.076 5.934
70 HE ARG 9 HE ARG 9 15.026 -1.902 7.675
71 HH11 ARG 9 1HH1 ARG 9 12.459 -3.999 6.611
72 HH12 ARG 9 2HH1 ARG 9 13.325 -5.456 6.969
73 HH21 ARG 9 1HH2 ARG 9 16.177 -3.813 8.150
74 HH22 ARG 9 2HH2 ARG 9 15.440 -5.349 7.845
75 H ALA 10 H ALA 10 12.034 3.798 5.655
76 HA ALA 10 HA ALA 10 14.685 4.455 6.103
77 HB1 ALA 10 1HB ALA 10 13.746 6.884 5.671
78 HB2 ALA 10 2HB ALA 10 13.796 5.674 4.389
79 HB3 ALA 10 3HB ALA 10 12.287 5.988 5.246
80 H ARG 11 H ARG 11 11.833 5.246 8.014
81 HA ARG 11 HA ARG 11 12.841 7.181 9.703
82 HB2 ARG 11 2HB ARG 11 10.479 6.287 9.623
83 HB3 ARG 11 3HB ARG 11 11.036 4.931 10.594
84 HG2 ARG 11 2HG ARG 11 11.686 6.472 12.376
85 HG3 ARG 11 3HG ARG 11 11.122 7.831 11.401
86 HD2 ARG 11 2HD ARG 11 9.267 5.567 11.989
87 HD3 ARG 11 3HD ARG 11 9.578 6.778 13.232
88 HE ARG 11 HE ARG 11 7.959 7.092 10.914
89 HH11 ARG 11 1HH1 ARG 11 10.111 8.792 13.058
90 HH12 ARG 11 2HH1 ARG 11 9.395 10.341 12.760
91 HH21 ARG 11 1HH2 ARG 11 7.008 9.125 10.513
92 HH22 ARG 11 2HH2 ARG 11 7.629 10.529 11.312
93 H LEU 12 H LEU 12 12.552 3.775 10.708
94 HA LEU 12 HA LEU 12 14.245 3.915 12.886
95 HB2 LEU 12 2HB LEU 12 13.877 1.540 11.068
96 HB3 LEU 12 3HB LEU 12 14.437 1.502 12.738
97 HG LEU 12 HG LEU 12 11.688 2.424 11.912
98 HD11 LEU 12 1HD1 LEU 12 11.317 0.065 13.197
99 HD12 LEU 12 2HD1 LEU 12 12.793 -0.267 12.292
100 HD13 LEU 12 3HD1 LEU 12 11.339 0.258 11.444
101 HD21 LEU 12 3HD2 LEU 12 11.952 1.397 14.577
102 HD22 LEU 12 1HD2 LEU 12 11.417 2.989 14.041
103 HD23 LEU 12 2HD2 LEU 12 13.133 2.679 14.306
104 H ARG 13 H ARG 13 15.021 3.617 9.499
105 HA ARG 13 HA ARG 13 17.649 2.695 9.662
106 HB2 ARG 13 2HB ARG 13 16.070 3.238 7.609
107 HB3 ARG 13 3HB ARG 13 16.938 4.767 7.634
108 HG2 ARG 13 2HG ARG 13 18.214 2.048 7.422
109 HG3 ARG 13 3HG ARG 13 17.924 3.154 6.078
110 HD2 ARG 13 2HD ARG 13 19.259 4.817 7.651
111 HD3 ARG 13 3HD ARG 13 19.914 3.306 8.279
112 HE ARG 13 HE ARG 13 20.539 4.530 5.788
113 HH11 ARG 13 1HH1 ARG 13 20.159 1.446 7.358
114 HH12 ARG 13 2HH1 ARG 13 21.239 0.620 6.284
115 HH21 ARG 13 1HH2 ARG 13 21.962 3.453 4.368
116 HH22 ARG 13 2HH2 ARG 13 22.265 1.763 4.584
117 H ALA 14 H ALA 14 16.502 6.067 9.468
118 HA ALA 14 HA ALA 14 19.085 7.175 9.935
119 HB1 ALA 14 1HB ALA 14 16.397 8.166 9.435
120 HB2 ALA 14 2HB ALA 14 17.290 9.160 10.586
121 HB3 ALA 14 3HB ALA 14 17.959 8.850 8.985
122 H VAL 15 H VAL 15 16.302 6.451 11.975
123 HA VAL 15 HA VAL 15 17.099 7.777 14.301
124 HB VAL 15 HB VAL 15 15.544 5.195 14.078
125 HG11 VAL 15 1HG1 VAL 15 16.133 5.293 16.315
126 HG12 VAL 15 2HG1 VAL 15 16.086 7.057 16.356
127 HG13 VAL 15 3HG1 VAL 15 14.584 6.134 16.295
128 HG21 VAL 15 3HG2 VAL 15 14.007 7.551 14.701
129 HG22 VAL 15 1HG2 VAL 15 14.886 7.759 13.186
130 HG23 VAL 15 2HG2 VAL 15 13.795 6.389 13.392
131 H GLY 16 H GLY 16 18.128 4.729 12.931
132 HA2 GLY 16 2HA GLY 16 19.490 3.865 15.327
133 HA3 GLY 16 3HA GLY 16 19.551 3.089 13.752
134 H ALA 17 H ALA 17 20.269 5.796 12.572
135 HA ALA 17 HA ALA 17 23.088 5.422 12.622
136 HB1 ALA 17 1HB ALA 17 21.196 6.926 11.091
137 HB2 ALA 17 2HB ALA 17 22.535 7.970 11.568
138 HB3 ALA 17 3HB ALA 17 22.853 6.477 10.685
139 H ILE 18 H ILE 18 21.067 8.158 13.709
140 HA ILE 18 HA ILE 18 23.110 9.607 14.942
141 HB ILE 18 HB ILE 18 21.247 10.622 16.327
142 HG12 ILE 18 2HG1 ILE 18 19.301 9.256 14.532
143 HG13 ILE 18 3HG1 ILE 18 19.902 8.353 15.919
144 HG21 ILE 18 1HG2 ILE 18 20.387 11.881 14.499
145 HG22 ILE 18 2HG2 ILE 18 22.050 11.453 14.103
146 HG23 ILE 18 3HG2 ILE 18 20.714 10.571 13.365
147 HD11 ILE 18 3HD1 ILE 18 18.779 11.108 16.234
148 HD12 ILE 18 1HD1 ILE 18 17.736 9.688 16.174
149 HD13 ILE 18 2HD1 ILE 18 18.956 9.833 17.440