Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611829 | 2nal RC | 25941 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 1.520 -0.535 -1.984
3 HB2 ARG 1 HB2 ARG 1 2.339 2.092 -0.870
4 HB3 ARG 1 HB3 ARG 1 3.273 1.483 -2.230
5 HG2 ARG 1 HG2 ARG 1 0.286 1.567 -2.351
6 HG3 ARG 1 HG3 ARG 1 1.249 3.009 -2.682
7 HD2 ARG 1 HD2 ARG 1 2.546 1.212 -4.211
8 HD3 ARG 1 HD3 ARG 1 0.918 0.538 -4.261
9 HE ARG 1 HE ARG 1 1.829 2.973 -5.495
10 HH11 ARG 1 HH11 ARG 1 -0.926 1.218 -4.289
11 HH12 ARG 1 HH12 ARG 1 -2.065 2.069 -5.278
12 HH21 ARG 1 HH21 ARG 1 0.338 4.101 -6.802
13 HH22 ARG 1 HH22 ARG 1 -1.346 3.708 -6.708
14 H LEU 2 H LEU 2 3.422 -1.301 -2.962
15 HA LEU 2 HA LEU 2 5.400 -2.286 -1.047
16 HB2 LEU 2 HB2 LEU 2 6.009 -3.894 -2.702
17 HB3 LEU 2 HB3 LEU 2 4.252 -3.869 -2.570
18 HG LEU 2 HG LEU 2 5.454 -2.189 -4.693
19 HD11 LEU 2 HD11 LEU 2 5.866 -3.980 -6.185
20 HD12 LEU 2 HD12 LEU 2 5.225 -5.167 -5.051
21 HD13 LEU 2 HD13 LEU 2 6.748 -4.349 -4.703
22 HD21 LEU 2 HD21 LEU 2 3.453 -3.600 -5.808
23 HD22 LEU 2 HD22 LEU 2 3.211 -2.094 -4.923
24 HD23 LEU 2 HD23 LEU 2 2.953 -3.642 -4.117
25 H PHE 3 H PHE 3 5.022 0.051 -3.508
26 HA PHE 3 HA PHE 3 7.934 0.496 -3.550
27 HB2 PHE 3 HB2 PHE 3 5.906 0.603 -5.737
28 HB3 PHE 3 HB3 PHE 3 7.257 1.730 -5.798
29 HD1 PHE 3 HD1 PHE 3 6.145 -1.535 -6.578
30 HD2 PHE 3 HD2 PHE 3 9.619 0.709 -5.573
31 HE1 PHE 3 HE1 PHE 3 7.560 -3.295 -7.554
32 HE2 PHE 3 HE2 PHE 3 11.040 -1.047 -6.549
33 HZ PHE 3 HZ PHE 3 10.011 -3.052 -7.542
34 H ASP 4 H ASP 4 4.746 2.026 -3.683
35 HA ASP 4 HA ASP 4 5.544 4.693 -3.595
36 HB2 ASP 4 HB2 ASP 4 3.145 3.423 -3.679
37 HB3 ASP 4 HB3 ASP 4 3.138 4.018 -2.021
38 H LYS 5 H LYS 5 4.871 2.449 -0.927
39 HA LYS 5 HA LYS 5 5.165 4.163 1.218
40 HB2 LYS 5 HB2 LYS 5 5.970 1.261 0.970
41 HB3 LYS 5 HB3 LYS 5 5.911 2.136 2.494
42 HG2 LYS 5 HG2 LYS 5 3.568 1.689 0.656
43 HG3 LYS 5 HG3 LYS 5 3.915 0.765 2.119
44 HD2 LYS 5 HD2 LYS 5 3.377 3.732 1.995
45 HD3 LYS 5 HD3 LYS 5 2.230 2.499 2.522
46 HE2 LYS 5 HE2 LYS 5 4.852 3.217 3.829
47 HE3 LYS 5 HE3 LYS 5 3.236 3.546 4.451
48 HZ1 LYS 5 HZ1 LYS 5 4.178 1.628 5.537
49 HZ2 LYS 5 HZ2 LYS 5 4.444 0.862 4.052
50 HZ3 LYS 5 HZ3 LYS 5 2.864 1.145 4.586
51 H ILE 6 H ILE 6 7.614 2.757 -0.836
52 HA ILE 6 HA ILE 6 9.775 3.672 0.882
53 HB ILE 6 HB ILE 6 9.858 2.302 -1.809
54 HG12 ILE 6 HG12 ILE 6 10.867 0.476 -0.198
55 HG13 ILE 6 HG13 ILE 6 9.953 1.348 1.027
56 HG21 ILE 6 HG21 ILE 6 11.839 3.632 -1.528
57 HG22 ILE 6 HG22 ILE 6 12.070 3.017 0.108
58 HG23 ILE 6 HG23 ILE 6 12.254 1.937 -1.275
59 HD11 ILE 6 HD11 ILE 6 8.840 -0.648 -0.084
60 HD12 ILE 6 HD12 ILE 6 7.909 0.847 0.016
61 HD13 ILE 6 HD13 ILE 6 8.674 0.384 -1.504
62 H ARG 7 H ARG 7 8.257 4.495 -2.182
63 HA ARG 7 HA ARG 7 10.070 6.256 -3.263
64 HB2 ARG 7 HB2 ARG 7 7.249 5.730 -3.532
65 HB3 ARG 7 HB3 ARG 7 7.552 7.460 -3.632
66 HG2 ARG 7 HG2 ARG 7 7.679 6.724 -5.835
67 HG3 ARG 7 HG3 ARG 7 9.365 6.860 -5.331
68 HD2 ARG 7 HD2 ARG 7 9.694 4.606 -5.346
69 HD3 ARG 7 HD3 ARG 7 8.021 4.250 -4.918
70 HE ARG 7 HE ARG 7 7.580 4.028 -7.139
71 HH11 ARG 7 HH11 ARG 7 10.414 6.017 -6.777
72 HH12 ARG 7 HH12 ARG 7 10.706 6.139 -8.480
73 HH21 ARG 7 HH21 ARG 7 7.954 4.181 -9.384
74 HH22 ARG 7 HH22 ARG 7 9.305 5.096 -9.962
75 H GLN 8 H GLN 8 7.509 7.019 -0.909
76 HA GLN 8 HA GLN 8 7.969 9.728 -0.626
77 HB2 GLN 8 HB2 GLN 8 6.779 9.617 1.411
78 HB3 GLN 8 HB3 GLN 8 6.118 8.331 0.411
79 HG2 GLN 8 HG2 GLN 8 7.472 6.694 1.602
80 HG3 GLN 8 HG3 GLN 8 8.161 7.979 2.593
81 HE21 GLN 8 HE21 GLN 8 6.075 9.487 3.285
82 HE22 GLN 8 HE22 GLN 8 4.920 8.578 4.193
83 H VAL 9 H VAL 9 9.842 7.051 0.538
84 HA VAL 9 HA VAL 9 11.375 8.634 2.408
85 HB VAL 9 HB VAL 9 11.082 5.823 1.808
86 HG11 VAL 9 HG11 VAL 9 13.228 5.983 0.724
87 HG12 VAL 9 HG12 VAL 9 13.899 6.860 2.100
88 HG13 VAL 9 HG13 VAL 9 13.424 5.170 2.276
89 HG21 VAL 9 HG21 VAL 9 11.832 5.588 4.113
90 HG22 VAL 9 HG22 VAL 9 12.358 7.272 4.129
91 HG23 VAL 9 HG23 VAL 9 10.644 6.885 3.977
92 H ILE 10 H ILE 10 11.666 7.505 -0.889
93 HA ILE 10 HA ILE 10 14.414 7.929 -1.268
94 HB ILE 10 HB ILE 10 12.262 8.284 -3.354
95 HG12 ILE 10 HG12 ILE 10 13.651 5.778 -2.385
96 HG13 ILE 10 HG13 ILE 10 11.933 6.145 -2.266
97 HG21 ILE 10 HG21 ILE 10 14.508 9.063 -3.984
98 HG22 ILE 10 HG22 ILE 10 15.151 7.463 -3.616
99 HG23 ILE 10 HG23 ILE 10 13.995 7.667 -4.932
100 HD11 ILE 10 HD11 ILE 10 13.525 5.220 -4.579
101 HD12 ILE 10 HD12 ILE 10 11.887 4.795 -4.079
102 HD13 ILE 10 HD13 ILE 10 12.189 6.326 -4.900
103 H ARG 11 H ARG 11 11.693 10.055 -2.177
104 HA ARG 11 HA ARG 11 11.551 12.307 -2.461
105 HB2 ARG 11 HB2 ARG 11 13.909 12.334 -0.567
106 HB3 ARG 11 HB3 ARG 11 12.921 13.727 -0.987
107 HG2 ARG 11 HG2 ARG 11 12.043 11.269 0.511
108 HG3 ARG 11 HG3 ARG 11 12.242 12.900 1.155
109 HD2 ARG 11 HD2 ARG 11 10.252 12.058 -0.951
110 HD3 ARG 11 HD3 ARG 11 9.888 12.372 0.746
111 HE ARG 11 HE ARG 11 10.312 14.320 -1.329
112 HH11 ARG 11 HH11 ARG 11 10.358 13.716 2.099
113 HH12 ARG 11 HH12 ARG 11 10.129 15.379 2.527
114 HH21 ARG 11 HH21 ARG 11 10.011 16.513 -0.778
115 HH22 ARG 11 HH22 ARG 11 9.931 16.969 0.890
116 H LYS 12 H LYS 12 13.192 10.726 -4.273
117 HA LYS 12 HA LYS 12 15.606 11.855 -4.990
118 HB2 LYS 12 HB2 LYS 12 15.210 10.978 -7.228
119 HB3 LYS 12 HB3 LYS 12 14.683 9.819 -6.015
120 HG2 LYS 12 HG2 LYS 12 12.652 11.704 -7.059
121 HG3 LYS 12 HG3 LYS 12 13.220 10.432 -8.143
122 HD2 LYS 12 HD2 LYS 12 12.712 9.330 -5.547
123 HD3 LYS 12 HD3 LYS 12 11.297 10.232 -6.095
124 HE2 LYS 12 HE2 LYS 12 12.678 8.329 -7.944
125 HE3 LYS 12 HE3 LYS 12 11.559 7.720 -6.725
126 HZ1 LYS 12 HZ1 LYS 12 10.562 8.195 -8.950
127 HZ2 LYS 12 HZ2 LYS 12 10.841 9.839 -8.670
128 HZ3 LYS 12 HZ3 LYS 12 9.801 8.974 -7.655
Start of MODEL 2
1 H1 ARG 1 H ARG 1 2.353 -0.242 1.478
2 HA ARG 1 HA ARG 1 1.465 -0.884 -1.154
3 HB2 ARG 1 HB2 ARG 1 2.320 1.864 -0.570
4 HB3 ARG 1 HB3 ARG 1 3.164 1.123 -1.922
5 HG2 ARG 1 HG2 ARG 1 0.189 0.975 -1.784
6 HG3 ARG 1 HG3 ARG 1 0.973 2.462 -2.321
7 HD2 ARG 1 HD2 ARG 1 1.894 1.450 -4.194
8 HD3 ARG 1 HD3 ARG 1 1.757 -0.168 -3.508
9 HE ARG 1 HE ARG 1 -0.327 -0.312 -4.419
10 HH11 ARG 1 HH11 ARG 1 0.548 3.049 -4.179
11 HH12 ARG 1 HH12 ARG 1 -0.866 3.611 -5.007
12 HH21 ARG 1 HH21 ARG 1 -2.193 0.415 -5.510
13 HH22 ARG 1 HH22 ARG 1 -2.425 2.112 -5.763
14 H LEU 2 H LEU 2 3.255 -1.486 -2.577
15 HA LEU 2 HA LEU 2 5.503 -2.510 -1.013
16 HB2 LEU 2 HB2 LEU 2 5.878 -4.046 -2.800
17 HB3 LEU 2 HB3 LEU 2 4.159 -4.053 -2.410
18 HG LEU 2 HG LEU 2 5.042 -2.292 -4.628
19 HD11 LEU 2 HD11 LEU 2 5.333 -3.972 -6.201
20 HD12 LEU 2 HD12 LEU 2 4.624 -5.207 -5.162
21 HD13 LEU 2 HD13 LEU 2 6.231 -4.573 -4.806
22 HD21 LEU 2 HD21 LEU 2 2.634 -3.761 -3.745
23 HD22 LEU 2 HD22 LEU 2 2.874 -3.611 -5.486
24 HD23 LEU 2 HD23 LEU 2 2.788 -2.165 -4.480
25 H PHE 3 H PHE 3 4.740 -0.128 -3.359
26 HA PHE 3 HA PHE 3 7.611 0.405 -3.750
27 HB2 PHE 3 HB2 PHE 3 5.321 0.589 -5.686
28 HB3 PHE 3 HB3 PHE 3 6.770 1.562 -5.916
29 HD1 PHE 3 HD1 PHE 3 5.279 -1.174 -7.143
30 HD2 PHE 3 HD2 PHE 3 8.970 -0.102 -5.313
31 HE1 PHE 3 HE1 PHE 3 6.375 -3.081 -8.245
32 HE2 PHE 3 HE2 PHE 3 10.072 -2.006 -6.413
33 HZ PHE 3 HZ PHE 3 8.775 -3.498 -7.882
34 H ASP 4 H ASP 4 4.380 1.844 -3.545
35 HA ASP 4 HA ASP 4 5.113 4.530 -3.517
36 HB2 ASP 4 HB2 ASP 4 2.753 3.239 -3.419
37 HB3 ASP 4 HB3 ASP 4 2.887 3.725 -1.731
38 H LYS 5 H LYS 5 4.761 2.262 -0.809
39 HA LYS 5 HA LYS 5 5.226 3.978 1.305
40 HB2 LYS 5 HB2 LYS 5 6.073 1.097 0.971
41 HB3 LYS 5 HB3 LYS 5 6.129 1.969 2.498
42 HG2 LYS 5 HG2 LYS 5 3.641 1.464 0.877
43 HG3 LYS 5 HG3 LYS 5 4.143 0.544 2.297
44 HD2 LYS 5 HD2 LYS 5 3.526 3.499 2.241
45 HD3 LYS 5 HD3 LYS 5 2.457 2.237 2.856
46 HE2 LYS 5 HE2 LYS 5 4.280 1.622 4.470
47 HE3 LYS 5 HE3 LYS 5 5.140 3.068 3.945
48 HZ1 LYS 5 HZ1 LYS 5 2.626 3.953 4.532
49 HZ2 LYS 5 HZ2 LYS 5 3.996 4.125 5.510
50 HZ3 LYS 5 HZ3 LYS 5 2.942 2.824 5.753
51 H ILE 6 H ILE 6 7.491 2.630 -0.985
52 HA ILE 6 HA ILE 6 9.790 3.589 0.516
53 HB ILE 6 HB ILE 6 9.638 2.226 -2.175
54 HG12 ILE 6 HG12 ILE 6 10.838 0.418 -0.678
55 HG13 ILE 6 HG13 ILE 6 10.031 1.269 0.634
56 HG21 ILE 6 HG21 ILE 6 11.610 3.571 -2.117
57 HG22 ILE 6 HG22 ILE 6 12.000 3.026 -0.487
58 HG23 ILE 6 HG23 ILE 6 12.093 1.898 -1.839
59 HD11 ILE 6 HD11 ILE 6 8.506 0.318 -1.756
60 HD12 ILE 6 HD12 ILE 6 8.868 -0.757 -0.406
61 HD13 ILE 6 HD13 ILE 6 7.917 0.703 -0.139
62 H ARG 7 H ARG 7 7.957 4.388 -2.375
63 HA ARG 7 HA ARG 7 9.615 6.186 -3.628
64 HB2 ARG 7 HB2 ARG 7 6.795 5.602 -3.614
65 HB3 ARG 7 HB3 ARG 7 7.046 7.339 -3.726
66 HG2 ARG 7 HG2 ARG 7 6.955 6.603 -5.939
67 HG3 ARG 7 HG3 ARG 7 8.676 6.817 -5.611
68 HD2 ARG 7 HD2 ARG 7 9.081 4.543 -5.548
69 HD3 ARG 7 HD3 ARG 7 7.405 4.152 -5.165
70 HE ARG 7 HE ARG 7 6.921 4.138 -7.410
71 HH11 ARG 7 HH11 ARG 7 10.058 5.560 -6.901
72 HH12 ARG 7 HH12 ARG 7 10.464 5.585 -8.585
73 HH21 ARG 7 HH21 ARG 7 7.444 4.166 -9.630
74 HH22 ARG 7 HH22 ARG 7 8.976 4.793 -10.137
75 H GLN 8 H GLN 8 7.296 6.894 -1.020
76 HA GLN 8 HA GLN 8 7.730 9.610 -0.774
77 HB2 GLN 8 HB2 GLN 8 6.760 9.471 1.377
78 HB3 GLN 8 HB3 GLN 8 6.021 8.178 0.442
79 HG2 GLN 8 HG2 GLN 8 7.517 6.559 1.475
80 HG3 GLN 8 HG3 GLN 8 8.286 7.850 2.397
81 HE21 GLN 8 HE21 GLN 8 7.697 6.588 4.262
82 HE22 GLN 8 HE22 GLN 8 6.101 6.715 4.912
83 H VAL 9 H VAL 9 9.766 6.968 0.175
84 HA VAL 9 HA VAL 9 11.454 8.581 1.882
85 HB VAL 9 HB VAL 9 11.148 5.764 1.318
86 HG11 VAL 9 HG11 VAL 9 13.167 5.959 0.015
87 HG12 VAL 9 HG12 VAL 9 13.963 6.847 1.316
88 HG13 VAL 9 HG13 VAL 9 13.535 5.150 1.538
89 HG21 VAL 9 HG21 VAL 9 12.649 7.223 3.491
90 HG22 VAL 9 HG22 VAL 9 10.927 6.845 3.519
91 HG23 VAL 9 HG23 VAL 9 12.116 5.543 3.534
92 H ILE 10 H ILE 10 11.421 7.452 -1.427
93 HA ILE 10 HA ILE 10 14.108 7.919 -2.089
94 HB ILE 10 HB ILE 10 11.742 8.234 -3.936
95 HG12 ILE 10 HG12 ILE 10 13.280 5.759 -3.128
96 HG13 ILE 10 HG13 ILE 10 11.577 6.087 -2.828
97 HG21 ILE 10 HG21 ILE 10 14.421 8.713 -4.381
98 HG22 ILE 10 HG22 ILE 10 14.185 7.079 -5.001
99 HG23 ILE 10 HG23 ILE 10 13.199 8.406 -5.616
100 HD11 ILE 10 HD11 ILE 10 12.926 5.137 -5.263
101 HD12 ILE 10 HD12 ILE 10 11.314 4.784 -4.638
102 HD13 ILE 10 HD13 ILE 10 11.616 6.293 -5.500
103 H ARG 11 H ARG 11 11.277 9.999 -2.733
104 HA ARG 11 HA ARG 11 11.072 12.248 -3.002
105 HB2 ARG 11 HB2 ARG 11 13.596 12.321 -1.338
106 HB3 ARG 11 HB3 ARG 11 12.545 13.693 -1.660
107 HG2 ARG 11 HG2 ARG 11 11.876 11.223 -0.079
108 HG3 ARG 11 HG3 ARG 11 12.076 12.867 0.531
109 HD2 ARG 11 HD2 ARG 11 9.913 11.871 -1.318
110 HD3 ARG 11 HD3 ARG 11 9.725 12.342 0.371
111 HE ARG 11 HE ARG 11 10.768 14.419 -1.332
112 HH11 ARG 11 HH11 ARG 11 7.907 12.909 -0.045
113 HH12 ARG 11 HH12 ARG 11 6.911 14.309 -0.265
114 HH21 ARG 11 HH21 ARG 11 9.466 16.269 -1.628
115 HH22 ARG 11 HH22 ARG 11 7.798 16.220 -1.167
116 H LYS 12 H LYS 12 12.568 10.689 -4.957
117 HA LYS 12 HA LYS 12 14.029 12.908 -6.202
118 HB2 LYS 12 HB2 LYS 12 15.060 10.202 -5.554
119 HB3 LYS 12 HB3 LYS 12 15.486 10.849 -7.133
120 HG2 LYS 12 HG2 LYS 12 17.247 11.592 -5.890
121 HG3 LYS 12 HG3 LYS 12 16.152 12.967 -5.735
122 HD2 LYS 12 HD2 LYS 12 15.520 12.357 -3.558
123 HD3 LYS 12 HD3 LYS 12 16.163 10.723 -3.737
124 HE2 LYS 12 HE2 LYS 12 17.668 11.943 -2.347
125 HE3 LYS 12 HE3 LYS 12 18.445 11.732 -3.915
126 HZ1 LYS 12 HZ1 LYS 12 17.019 14.188 -3.045
127 HZ2 LYS 12 HZ2 LYS 12 17.856 13.979 -4.500
128 HZ3 LYS 12 HZ3 LYS 12 18.699 13.988 -3.033
Start of MODEL 3
1 H1 ARG 1 H ARG 1 2.378 -0.267 1.603
2 HA ARG 1 HA ARG 1 1.437 -0.809 -0.993
3 HB2 ARG 1 HB2 ARG 1 2.273 1.945 -0.465
4 HB3 ARG 1 HB3 ARG 1 3.138 1.203 -1.804
5 HG2 ARG 1 HG2 ARG 1 0.143 1.174 -1.601
6 HG3 ARG 1 HG3 ARG 1 1.038 2.479 -2.381
7 HD2 ARG 1 HD2 ARG 1 2.147 0.651 -3.775
8 HD3 ARG 1 HD3 ARG 1 0.882 -0.417 -3.167
9 HE ARG 1 HE ARG 1 -0.331 1.877 -4.209
10 HH11 ARG 1 HH11 ARG 1 1.496 -0.880 -5.297
11 HH12 ARG 1 HH12 ARG 1 0.770 -0.905 -6.870
12 HH21 ARG 1 HH21 ARG 1 -1.295 1.854 -6.276
13 HH22 ARG 1 HH22 ARG 1 -0.817 0.651 -7.426
14 H LEU 2 H LEU 2 3.184 -1.411 -2.479
15 HA LEU 2 HA LEU 2 5.475 -2.443 -0.982
16 HB2 LEU 2 HB2 LEU 2 5.805 -3.957 -2.818
17 HB3 LEU 2 HB3 LEU 2 4.118 -4.005 -2.312
18 HG LEU 2 HG LEU 2 4.770 -2.193 -4.559
19 HD11 LEU 2 HD11 LEU 2 4.704 -5.185 -4.915
20 HD12 LEU 2 HD12 LEU 2 6.145 -4.178 -5.050
21 HD13 LEU 2 HD13 LEU 2 4.816 -3.972 -6.190
22 HD21 LEU 2 HD21 LEU 2 2.643 -3.638 -5.308
23 HD22 LEU 2 HD22 LEU 2 2.526 -2.213 -4.275
24 HD23 LEU 2 HD23 LEU 2 2.519 -3.826 -3.559
25 H PHE 3 H PHE 3 4.650 -0.059 -3.303
26 HA PHE 3 HA PHE 3 7.510 0.466 -3.779
27 HB2 PHE 3 HB2 PHE 3 5.164 0.694 -5.650
28 HB3 PHE 3 HB3 PHE 3 6.645 1.605 -5.927
29 HD1 PHE 3 HD1 PHE 3 4.964 -1.234 -6.855
30 HD2 PHE 3 HD2 PHE 3 8.837 0.015 -5.608
31 HE1 PHE 3 HE1 PHE 3 5.952 -3.191 -7.972
32 HE2 PHE 3 HE2 PHE 3 9.831 -1.940 -6.723
33 HZ PHE 3 HZ PHE 3 8.388 -3.546 -7.908
34 H ASP 4 H ASP 4 4.290 1.919 -3.496
35 HA ASP 4 HA ASP 4 5.038 4.601 -3.484
36 HB2 ASP 4 HB2 ASP 4 2.673 3.347 -3.364
37 HB3 ASP 4 HB3 ASP 4 2.839 3.774 -1.663
38 H LYS 5 H LYS 5 4.724 2.335 -0.769
39 HA LYS 5 HA LYS 5 5.238 4.044 1.337
40 HB2 LYS 5 HB2 LYS 5 6.063 1.160 0.976
41 HB3 LYS 5 HB3 LYS 5 6.170 2.026 2.503
42 HG2 LYS 5 HG2 LYS 5 3.628 1.564 0.955
43 HG3 LYS 5 HG3 LYS 5 4.168 0.609 2.338
44 HD2 LYS 5 HD2 LYS 5 3.594 3.572 2.371
45 HD3 LYS 5 HD3 LYS 5 2.516 2.314 2.979
46 HE2 LYS 5 HE2 LYS 5 4.454 1.619 4.484
47 HE3 LYS 5 HE3 LYS 5 5.201 3.153 4.040
48 HZ1 LYS 5 HZ1 LYS 5 4.076 3.850 5.848
49 HZ2 LYS 5 HZ2 LYS 5 2.907 2.632 5.750
50 HZ3 LYS 5 HZ3 LYS 5 2.794 3.994 4.753
51 H ILE 6 H ILE 6 7.454 2.700 -1.004
52 HA ILE 6 HA ILE 6 9.785 3.647 0.455
53 HB ILE 6 HB ILE 6 9.575 2.297 -2.239
54 HG12 ILE 6 HG12 ILE 6 10.801 0.480 -0.777
55 HG13 ILE 6 HG13 ILE 6 10.023 1.326 0.556
56 HG21 ILE 6 HG21 ILE 6 11.598 3.272 -2.500
57 HG22 ILE 6 HG22 ILE 6 11.836 3.495 -0.768
58 HG23 ILE 6 HG23 ILE 6 12.124 1.917 -1.501
59 HD11 ILE 6 HD11 ILE 6 8.455 0.378 -1.809
60 HD12 ILE 6 HD12 ILE 6 8.831 -0.690 -0.456
61 HD13 ILE 6 HD13 ILE 6 7.889 0.777 -0.188
62 H ARG 7 H ARG 7 7.894 4.463 -2.395
63 HA ARG 7 HA ARG 7 9.530 6.264 -3.673
64 HB2 ARG 7 HB2 ARG 7 6.710 5.686 -3.604
65 HB3 ARG 7 HB3 ARG 7 6.962 7.423 -3.712
66 HG2 ARG 7 HG2 ARG 7 6.823 6.698 -5.926
67 HG3 ARG 7 HG3 ARG 7 8.550 6.910 -5.633
68 HD2 ARG 7 HD2 ARG 7 8.959 4.640 -5.603
69 HD3 ARG 7 HD3 ARG 7 7.298 4.242 -5.165
70 HE ARG 7 HE ARG 7 6.760 4.192 -7.390
71 HH11 ARG 7 HH11 ARG 7 9.834 5.777 -6.992
72 HH12 ARG 7 HH12 ARG 7 10.166 5.846 -8.691
73 HH21 ARG 7 HH21 ARG 7 7.186 4.275 -9.629
74 HH22 ARG 7 HH22 ARG 7 8.659 4.992 -10.190
75 H GLN 8 H GLN 8 7.267 6.965 -1.014
76 HA GLN 8 HA GLN 8 7.713 9.679 -0.765
77 HB2 GLN 8 HB2 GLN 8 6.788 9.531 1.406
78 HB3 GLN 8 HB3 GLN 8 6.027 8.244 0.480
79 HG2 GLN 8 HG2 GLN 8 7.540 6.617 1.475
80 HG3 GLN 8 HG3 GLN 8 8.332 7.902 2.385
81 HE21 GLN 8 HE21 GLN 8 4.986 6.886 1.756
82 HE22 GLN 8 HE22 GLN 8 4.487 6.916 3.409
83 H VAL 9 H VAL 9 9.761 7.028 0.133
84 HA VAL 9 HA VAL 9 11.488 8.629 1.810
85 HB VAL 9 HB VAL 9 11.163 5.815 1.241
86 HG11 VAL 9 HG11 VAL 9 13.979 6.893 1.184
87 HG12 VAL 9 HG12 VAL 9 13.554 5.195 1.408
88 HG13 VAL 9 HG13 VAL 9 13.156 6.013 -0.103
89 HG21 VAL 9 HG21 VAL 9 12.205 5.588 3.432
90 HG22 VAL 9 HG22 VAL 9 12.694 7.282 3.390
91 HG23 VAL 9 HG23 VAL 9 10.983 6.860 3.451
92 H ILE 10 H ILE 10 11.385 7.513 -1.502
93 HA ILE 10 HA ILE 10 14.057 7.976 -2.218
94 HB ILE 10 HB ILE 10 11.653 8.307 -4.012
95 HG12 ILE 10 HG12 ILE 10 13.205 5.826 -3.252
96 HG13 ILE 10 HG13 ILE 10 11.509 6.154 -2.914
97 HG21 ILE 10 HG21 ILE 10 14.343 8.756 -4.501
98 HG22 ILE 10 HG22 ILE 10 14.043 7.150 -5.163
99 HG23 ILE 10 HG23 ILE 10 13.079 8.522 -5.709
100 HD11 ILE 10 HD11 ILE 10 11.163 4.902 -4.734
101 HD12 ILE 10 HD12 ILE 10 11.548 6.385 -5.607
102 HD13 ILE 10 HD13 ILE 10 12.794 5.163 -5.351
103 H ARG 11 H ARG 11 11.222 10.069 -2.795
104 HA ARG 11 HA ARG 11 11.019 12.320 -3.047
105 HB2 ARG 11 HB2 ARG 11 13.578 12.378 -1.436
106 HB3 ARG 11 HB3 ARG 11 12.521 13.753 -1.727
107 HG2 ARG 11 HG2 ARG 11 11.876 11.271 -0.154
108 HG3 ARG 11 HG3 ARG 11 12.108 12.905 0.471
109 HD2 ARG 11 HD2 ARG 11 9.906 12.004 -1.383
110 HD3 ARG 11 HD3 ARG 11 9.738 12.339 0.340
111 HE ARG 11 HE ARG 11 9.798 14.250 -1.787
112 HH11 ARG 11 HH11 ARG 11 10.536 13.743 1.577
113 HH12 ARG 11 HH12 ARG 11 10.390 15.417 1.997
114 HH21 ARG 11 HH21 ARG 11 9.602 16.457 -1.247
115 HH22 ARG 11 HH22 ARG 11 9.857 16.960 0.389
116 H LYS 12 H LYS 12 12.509 10.746 -5.020
117 HA LYS 12 HA LYS 12 13.948 12.971 -6.285
118 HB2 LYS 12 HB2 LYS 12 14.965 10.256 -5.668
119 HB3 LYS 12 HB3 LYS 12 15.354 10.890 -7.262
120 HG2 LYS 12 HG2 LYS 12 17.159 11.616 -6.071
121 HG3 LYS 12 HG3 LYS 12 16.085 13.006 -5.896
122 HD2 LYS 12 HD2 LYS 12 15.503 12.417 -3.699
123 HD3 LYS 12 HD3 LYS 12 16.124 10.775 -3.885
124 HE2 LYS 12 HE2 LYS 12 18.362 11.506 -3.807
125 HE3 LYS 12 HE3 LYS 12 17.905 13.189 -4.063
126 HZ1 LYS 12 HZ1 LYS 12 18.440 12.947 -1.788
127 HZ2 LYS 12 HZ2 LYS 12 17.491 11.557 -1.624
128 HZ3 LYS 12 HZ3 LYS 12 16.753 13.060 -1.863
Start of MODEL 4
1 H1 ARG 1 H ARG 1 2.074 0.475 1.438
2 HA ARG 1 HA ARG 1 1.465 -0.722 -1.181
3 HB2 ARG 1 HB2 ARG 1 2.337 1.958 -0.325
4 HB3 ARG 1 HB3 ARG 1 3.181 1.326 -1.732
5 HG2 ARG 1 HG2 ARG 1 0.196 1.255 -1.607
6 HG3 ARG 1 HG3 ARG 1 1.043 2.735 -2.060
7 HD2 ARG 1 HD2 ARG 1 2.320 0.979 -3.639
8 HD3 ARG 1 HD3 ARG 1 0.751 0.185 -3.522
9 HE ARG 1 HE ARG 1 0.545 2.970 -4.153
10 HH11 ARG 1 HH11 ARG 1 1.083 -0.204 -5.477
11 HH12 ARG 1 HH12 ARG 1 0.522 0.219 -7.060
12 HH21 ARG 1 HH21 ARG 1 -0.197 3.539 -6.233
13 HH22 ARG 1 HH22 ARG 1 -0.206 2.348 -7.490
14 H LEU 2 H LEU 2 3.198 -1.426 -2.513
15 HA LEU 2 HA LEU 2 5.469 -2.424 -0.968
16 HB2 LEU 2 HB2 LEU 2 5.819 -3.982 -2.743
17 HB3 LEU 2 HB3 LEU 2 4.107 -3.983 -2.327
18 HG LEU 2 HG LEU 2 4.968 -2.256 -4.583
19 HD11 LEU 2 HD11 LEU 2 5.149 -3.988 -6.146
20 HD12 LEU 2 HD12 LEU 2 4.542 -5.195 -5.012
21 HD13 LEU 2 HD13 LEU 2 6.150 -4.507 -4.790
22 HD21 LEU 2 HD21 LEU 2 2.559 -3.718 -3.665
23 HD22 LEU 2 HD22 LEU 2 2.774 -3.518 -5.404
24 HD23 LEU 2 HD23 LEU 2 2.713 -2.102 -4.354
25 H PHE 3 H PHE 3 4.682 -0.070 -3.333
26 HA PHE 3 HA PHE 3 7.549 0.438 -3.786
27 HB2 PHE 3 HB2 PHE 3 5.208 0.672 -5.659
28 HB3 PHE 3 HB3 PHE 3 6.679 1.601 -5.930
29 HD1 PHE 3 HD1 PHE 3 5.094 -1.044 -7.175
30 HD2 PHE 3 HD2 PHE 3 8.825 -0.172 -5.321
31 HE1 PHE 3 HE1 PHE 3 6.104 -2.983 -8.303
32 HE2 PHE 3 HE2 PHE 3 9.841 -2.109 -6.447
33 HZ PHE 3 HZ PHE 3 8.480 -3.518 -7.940
34 H ASP 4 H ASP 4 4.343 1.919 -3.491
35 HA ASP 4 HA ASP 4 5.126 4.595 -3.472
36 HB2 ASP 4 HB2 ASP 4 2.744 3.369 -3.374
37 HB3 ASP 4 HB3 ASP 4 2.903 3.790 -1.671
38 H LYS 5 H LYS 5 4.851 2.281 -0.804
39 HA LYS 5 HA LYS 5 5.330 3.970 1.336
40 HB2 LYS 5 HB2 LYS 5 6.075 1.083 0.887
41 HB3 LYS 5 HB3 LYS 5 6.363 1.902 2.417
42 HG2 LYS 5 HG2 LYS 5 3.680 1.539 1.097
43 HG3 LYS 5 HG3 LYS 5 4.299 0.605 2.461
44 HD2 LYS 5 HD2 LYS 5 4.553 3.356 3.106
45 HD3 LYS 5 HD3 LYS 5 2.921 3.097 2.484
46 HE2 LYS 5 HE2 LYS 5 2.513 1.377 4.102
47 HE3 LYS 5 HE3 LYS 5 4.195 1.407 4.630
48 HZ1 LYS 5 HZ1 LYS 5 2.012 3.071 5.429
49 HZ2 LYS 5 HZ2 LYS 5 3.350 3.980 4.939
50 HZ3 LYS 5 HZ3 LYS 5 3.513 2.834 6.172
51 H ILE 6 H ILE 6 7.558 2.676 -1.020
52 HA ILE 6 HA ILE 6 9.880 3.619 0.454
53 HB ILE 6 HB ILE 6 9.680 2.301 -2.256
54 HG12 ILE 6 HG12 ILE 6 10.928 0.480 -0.817
55 HG13 ILE 6 HG13 ILE 6 10.145 1.303 0.528
56 HG21 ILE 6 HG21 ILE 6 12.257 1.983 -1.324
57 HG22 ILE 6 HG22 ILE 6 11.734 3.103 -2.581
58 HG23 ILE 6 HG23 ILE 6 11.870 3.653 -0.911
59 HD11 ILE 6 HD11 ILE 6 8.598 0.340 -1.849
60 HD12 ILE 6 HD12 ILE 6 8.959 -0.705 -0.475
61 HD13 ILE 6 HD13 ILE 6 8.008 0.761 -0.242
62 H ARG 7 H ARG 7 7.978 4.469 -2.375
63 HA ARG 7 HA ARG 7 9.601 6.293 -3.635
64 HB2 ARG 7 HB2 ARG 7 6.781 5.709 -3.555
65 HB3 ARG 7 HB3 ARG 7 7.033 7.447 -3.649
66 HG2 ARG 7 HG2 ARG 7 6.896 6.773 -5.868
67 HG3 ARG 7 HG3 ARG 7 8.630 6.921 -5.578
68 HD2 ARG 7 HD2 ARG 7 8.988 4.703 -5.799
69 HD3 ARG 7 HD3 ARG 7 7.470 4.276 -5.010
70 HE ARG 7 HE ARG 7 6.637 5.250 -7.373
71 HH11 ARG 7 HH11 ARG 7 9.060 2.897 -6.526
72 HH12 ARG 7 HH12 ARG 7 8.872 1.985 -7.986
73 HH21 ARG 7 HH21 ARG 7 6.381 4.057 -9.301
74 HH22 ARG 7 HH22 ARG 7 7.349 2.646 -9.565
75 H GLN 8 H GLN 8 7.350 6.946 -0.954
76 HA GLN 8 HA GLN 8 7.788 9.659 -0.667
77 HB2 GLN 8 HB2 GLN 8 6.875 9.475 1.506
78 HB3 GLN 8 HB3 GLN 8 6.113 8.200 0.565
79 HG2 GLN 8 HG2 GLN 8 7.639 6.564 1.527
80 HG3 GLN 8 HG3 GLN 8 8.428 7.838 2.455
81 HE21 GLN 8 HE21 GLN 8 7.916 6.675 4.358
82 HE22 GLN 8 HE22 GLN 8 6.326 6.731 5.031
83 H VAL 9 H VAL 9 9.851 7.002 0.176
84 HA VAL 9 HA VAL 9 11.581 8.584 1.870
85 HB VAL 9 HB VAL 9 11.262 5.778 1.262
86 HG11 VAL 9 HG11 VAL 9 13.655 5.162 1.405
87 HG12 VAL 9 HG12 VAL 9 13.246 6.001 -0.093
88 HG13 VAL 9 HG13 VAL 9 14.075 6.863 1.204
89 HG21 VAL 9 HG21 VAL 9 12.306 5.519 3.444
90 HG22 VAL 9 HG22 VAL 9 12.813 7.208 3.421
91 HG23 VAL 9 HG23 VAL 9 11.098 6.803 3.488
92 H ILE 10 H ILE 10 11.462 7.522 -1.458
93 HA ILE 10 HA ILE 10 14.130 8.005 -2.180
94 HB ILE 10 HB ILE 10 11.716 8.350 -3.960
95 HG12 ILE 10 HG12 ILE 10 13.278 5.863 -3.238
96 HG13 ILE 10 HG13 ILE 10 11.583 6.182 -2.888
97 HG21 ILE 10 HG21 ILE 10 14.132 7.218 -5.110
98 HG22 ILE 10 HG22 ILE 10 13.129 8.555 -5.673
99 HG23 ILE 10 HG23 ILE 10 14.383 8.840 -4.466
100 HD11 ILE 10 HD11 ILE 10 11.430 6.400 -5.501
101 HD12 ILE 10 HD12 ILE 10 12.881 5.399 -5.437
102 HD13 ILE 10 HD13 ILE 10 11.383 4.827 -4.704
103 H ARG 11 H ARG 11 11.281 10.090 -2.715
104 HA ARG 11 HA ARG 11 11.065 12.344 -2.936
105 HB2 ARG 11 HB2 ARG 11 13.631 12.391 -1.336
106 HB3 ARG 11 HB3 ARG 11 12.569 13.766 -1.604
107 HG2 ARG 11 HG2 ARG 11 11.948 11.264 -0.055
108 HG3 ARG 11 HG3 ARG 11 12.161 12.896 0.582
109 HD2 ARG 11 HD2 ARG 11 9.951 11.931 -1.227
110 HD3 ARG 11 HD3 ARG 11 9.807 12.369 0.474
111 HE ARG 11 HE ARG 11 10.800 14.480 -1.217
112 HH11 ARG 11 HH11 ARG 11 7.979 12.941 0.121
113 HH12 ARG 11 HH12 ARG 11 6.974 14.343 -0.046
114 HH21 ARG 11 HH21 ARG 11 9.488 16.333 -1.442
115 HH22 ARG 11 HH22 ARG 11 7.834 16.271 -0.936
116 H LYS 12 H LYS 12 12.517 10.823 -4.955
117 HA LYS 12 HA LYS 12 13.944 13.067 -6.194
118 HB2 LYS 12 HB2 LYS 12 14.988 10.348 -5.629
119 HB3 LYS 12 HB3 LYS 12 15.374 11.028 -7.205
120 HG2 LYS 12 HG2 LYS 12 17.165 11.760 -6.010
121 HG3 LYS 12 HG3 LYS 12 16.065 13.117 -5.760
122 HD2 LYS 12 HD2 LYS 12 15.545 12.446 -3.582
123 HD3 LYS 12 HD3 LYS 12 16.137 10.804 -3.850
124 HE2 LYS 12 HE2 LYS 12 17.766 11.854 -2.512
125 HE3 LYS 12 HE3 LYS 12 18.435 11.836 -4.143
126 HZ1 LYS 12 HZ1 LYS 12 18.784 13.997 -3.771
127 HZ2 LYS 12 HZ2 LYS 12 17.685 14.074 -2.488
128 HZ3 LYS 12 HZ3 LYS 12 17.132 14.190 -4.082
Start of MODEL 5
1 H1 ARG 1 H ARG 1 0.868 0.920 0.479
2 HA ARG 1 HA ARG 1 1.417 -0.453 -1.765
3 HB2 ARG 1 HB2 ARG 1 2.284 2.177 -0.739
4 HB3 ARG 1 HB3 ARG 1 3.238 1.537 -2.071
5 HG2 ARG 1 HG2 ARG 1 0.256 1.596 -2.249
6 HG3 ARG 1 HG3 ARG 1 1.204 3.049 -2.570
7 HD2 ARG 1 HD2 ARG 1 2.554 1.225 -4.046
8 HD3 ARG 1 HD3 ARG 1 0.915 0.582 -4.149
9 HE ARG 1 HE ARG 1 0.778 3.310 -4.679
10 HH11 ARG 1 HH11 ARG 1 2.175 0.445 -6.079
11 HH12 ARG 1 HH12 ARG 1 2.090 1.039 -7.704
12 HH21 ARG 1 HH21 ARG 1 0.660 4.103 -6.815
13 HH22 ARG 1 HH22 ARG 1 1.228 3.120 -8.121
14 H LEU 2 H LEU 2 3.277 -1.214 -2.862
15 HA LEU 2 HA LEU 2 5.307 -2.281 -1.048
16 HB2 LEU 2 HB2 LEU 2 5.818 -3.863 -2.760
17 HB3 LEU 2 HB3 LEU 2 4.068 -3.805 -2.559
18 HG LEU 2 HG LEU 2 5.237 -2.111 -4.693
19 HD11 LEU 2 HD11 LEU 2 6.527 -4.014 -5.161
20 HD12 LEU 2 HD12 LEU 2 5.124 -4.139 -6.222
21 HD13 LEU 2 HD13 LEU 2 5.208 -5.113 -4.754
22 HD21 LEU 2 HD21 LEU 2 2.714 -3.517 -4.064
23 HD22 LEU 2 HD22 LEU 2 3.148 -3.394 -5.769
24 HD23 LEU 2 HD23 LEU 2 2.982 -1.934 -4.793
25 H PHE 3 H PHE 3 4.883 0.118 -3.440
26 HA PHE 3 HA PHE 3 7.800 0.510 -3.581
27 HB2 PHE 3 HB2 PHE 3 5.701 0.692 -5.695
28 HB3 PHE 3 HB3 PHE 3 7.072 1.792 -5.784
29 HD1 PHE 3 HD1 PHE 3 5.873 -1.474 -6.506
30 HD2 PHE 3 HD2 PHE 3 9.412 0.759 -5.730
31 HE1 PHE 3 HE1 PHE 3 7.217 -3.245 -7.559
32 HE2 PHE 3 HE2 PHE 3 10.762 -1.008 -6.782
33 HZ PHE 3 HZ PHE 3 9.665 -3.014 -7.698
34 H ASP 4 H ASP 4 4.640 2.110 -3.612
35 HA ASP 4 HA ASP 4 5.497 4.755 -3.491
36 HB2 ASP 4 HB2 ASP 4 3.069 3.536 -3.538
37 HB3 ASP 4 HB3 ASP 4 3.115 4.105 -1.872
38 H LYS 5 H LYS 5 4.824 2.485 -0.844
39 HA LYS 5 HA LYS 5 5.210 4.151 1.321
40 HB2 LYS 5 HB2 LYS 5 5.944 1.237 1.003
41 HB3 LYS 5 HB3 LYS 5 5.943 2.085 2.544
42 HG2 LYS 5 HG2 LYS 5 3.541 1.745 0.761
43 HG3 LYS 5 HG3 LYS 5 3.907 0.758 2.178
44 HD2 LYS 5 HD2 LYS 5 3.457 3.743 2.187
45 HD3 LYS 5 HD3 LYS 5 2.276 2.527 2.681
46 HE2 LYS 5 HE2 LYS 5 3.122 2.934 4.732
47 HE3 LYS 5 HE3 LYS 5 4.370 1.803 4.211
48 HZ1 LYS 5 HZ1 LYS 5 4.815 4.315 5.098
49 HZ2 LYS 5 HZ2 LYS 5 4.874 4.522 3.420
50 HZ3 LYS 5 HZ3 LYS 5 5.900 3.406 4.170
51 H ILE 6 H ILE 6 7.580 2.736 -0.817
52 HA ILE 6 HA ILE 6 9.800 3.569 0.868
53 HB ILE 6 HB ILE 6 9.789 2.254 -1.852
54 HG12 ILE 6 HG12 ILE 6 10.797 0.374 -0.302
55 HG13 ILE 6 HG13 ILE 6 9.929 1.240 0.961
56 HG21 ILE 6 HG21 ILE 6 12.187 1.834 -1.398
57 HG22 ILE 6 HG22 ILE 6 11.803 3.545 -1.579
58 HG23 ILE 6 HG23 ILE 6 12.066 2.865 0.027
59 HD11 ILE 6 HD11 ILE 6 8.749 -0.710 -0.163
60 HD12 ILE 6 HD12 ILE 6 7.853 0.803 -0.016
61 HD13 ILE 6 HD13 ILE 6 8.577 0.352 -1.560
62 H ARG 7 H ARG 7 8.231 4.486 -2.144
63 HA ARG 7 HA ARG 7 10.054 6.231 -3.230
64 HB2 ARG 7 HB2 ARG 7 7.216 5.772 -3.442
65 HB3 ARG 7 HB3 ARG 7 7.557 7.496 -3.519
66 HG2 ARG 7 HG2 ARG 7 7.621 6.808 -5.736
67 HG3 ARG 7 HG3 ARG 7 9.321 6.875 -5.267
68 HD2 ARG 7 HD2 ARG 7 9.587 4.634 -5.414
69 HD3 ARG 7 HD3 ARG 7 7.960 4.297 -4.826
70 HE ARG 7 HE ARG 7 7.289 4.118 -6.993
71 HH11 ARG 7 HH11 ARG 7 10.202 6.022 -6.897
72 HH12 ARG 7 HH12 ARG 7 10.330 6.150 -8.620
73 HH21 ARG 7 HH21 ARG 7 7.447 4.279 -9.263
74 HH22 ARG 7 HH22 ARG 7 8.762 5.159 -9.965
75 H GLN 8 H GLN 8 7.564 7.000 -0.803
76 HA GLN 8 HA GLN 8 8.087 9.692 -0.477
77 HB2 GLN 8 HB2 GLN 8 6.943 9.562 1.587
78 HB3 GLN 8 HB3 GLN 8 6.232 8.311 0.577
79 HG2 GLN 8 HG2 GLN 8 7.580 6.622 1.700
80 HG3 GLN 8 HG3 GLN 8 8.319 7.871 2.701
81 HE21 GLN 8 HE21 GLN 8 7.070 8.896 4.289
82 HE22 GLN 8 HE22 GLN 8 5.613 8.189 4.889
83 H VAL 9 H VAL 9 9.928 6.952 0.595
84 HA VAL 9 HA VAL 9 11.538 8.466 2.457
85 HB VAL 9 HB VAL 9 11.172 5.675 1.809
86 HG11 VAL 9 HG11 VAL 9 13.295 5.815 0.674
87 HG12 VAL 9 HG12 VAL 9 14.017 6.647 2.052
88 HG13 VAL 9 HG13 VAL 9 13.510 4.964 2.203
89 HG21 VAL 9 HG21 VAL 9 11.976 5.378 4.088
90 HG22 VAL 9 HG22 VAL 9 12.534 7.051 4.125
91 HG23 VAL 9 HG23 VAL 9 10.810 6.699 4.008
92 H ILE 10 H ILE 10 11.738 7.383 -0.865
93 HA ILE 10 HA ILE 10 14.480 7.761 -1.303
94 HB ILE 10 HB ILE 10 12.286 8.212 -3.327
95 HG12 ILE 10 HG12 ILE 10 13.647 5.655 -2.457
96 HG13 ILE 10 HG13 ILE 10 11.943 6.055 -2.275
97 HG21 ILE 10 HG21 ILE 10 14.525 8.960 -4.003
98 HG22 ILE 10 HG22 ILE 10 15.153 7.346 -3.675
99 HG23 ILE 10 HG23 ILE 10 13.970 7.587 -4.960
100 HD11 ILE 10 HD11 ILE 10 13.442 5.165 -4.665
101 HD12 ILE 10 HD12 ILE 10 11.819 4.744 -4.116
102 HD13 ILE 10 HD13 ILE 10 12.109 6.294 -4.906
103 H ARG 11 H ARG 11 11.787 9.971 -2.088
104 HA ARG 11 HA ARG 11 11.693 12.231 -2.320
105 HB2 ARG 11 HB2 ARG 11 14.093 12.150 -0.482
106 HB3 ARG 11 HB3 ARG 11 13.145 13.583 -0.853
107 HG2 ARG 11 HG2 ARG 11 12.226 11.129 0.623
108 HG3 ARG 11 HG3 ARG 11 12.474 12.747 1.282
109 HD2 ARG 11 HD2 ARG 11 10.400 11.913 -0.742
110 HD3 ARG 11 HD3 ARG 11 10.114 12.359 0.940
111 HE ARG 11 HE ARG 11 11.394 14.408 -0.631
112 HH11 ARG 11 HH11 ARG 11 8.366 13.038 0.405
113 HH12 ARG 11 HH12 ARG 11 7.468 14.497 0.147
114 HH21 ARG 11 HH21 ARG 11 10.223 16.335 -0.975
115 HH22 ARG 11 HH22 ARG 11 8.525 16.371 -0.640
116 H LYS 12 H LYS 12 13.237 10.663 -4.218
117 HA LYS 12 HA LYS 12 15.663 11.731 -4.973
118 HB2 LYS 12 HB2 LYS 12 15.174 10.944 -7.223
119 HB3 LYS 12 HB3 LYS 12 14.620 9.768 -6.038
120 HG2 LYS 12 HG2 LYS 12 12.677 11.791 -7.011
121 HG3 LYS 12 HG3 LYS 12 13.135 10.478 -8.097
122 HD2 LYS 12 HD2 LYS 12 12.669 9.024 -5.928
123 HD3 LYS 12 HD3 LYS 12 11.629 10.395 -5.535
124 HE2 LYS 12 HE2 LYS 12 10.824 10.053 -8.022
125 HE3 LYS 12 HE3 LYS 12 11.421 8.417 -7.752
126 HZ1 LYS 12 HZ1 LYS 12 9.052 9.677 -6.755
127 HZ2 LYS 12 HZ2 LYS 12 9.959 8.958 -5.521
128 HZ3 LYS 12 HZ3 LYS 12 9.444 8.033 -6.840
Start of MODEL 6
1 H1 ARG 1 H ARG 1 0.833 -0.260 1.022
2 HA ARG 1 HA ARG 1 1.545 -0.839 -1.615
3 HB2 ARG 1 HB2 ARG 1 2.094 1.405 0.269
4 HB3 ARG 1 HB3 ARG 1 3.039 1.320 -1.211
5 HG2 ARG 1 HG2 ARG 1 0.032 1.376 -1.078
6 HG3 ARG 1 HG3 ARG 1 1.067 2.761 -1.428
7 HD2 ARG 1 HD2 ARG 1 1.998 1.026 -3.253
8 HD3 ARG 1 HD3 ARG 1 0.336 0.453 -3.122
9 HE ARG 1 HE ARG 1 0.481 3.286 -3.444
10 HH11 ARG 1 HH11 ARG 1 0.607 0.253 -5.148
11 HH12 ARG 1 HH12 ARG 1 0.071 0.926 -6.651
12 HH21 ARG 1 HH21 ARG 1 -0.225 4.184 -5.418
13 HH22 ARG 1 HH22 ARG 1 -0.401 3.163 -6.804
14 H LEU 2 H LEU 2 3.273 -1.753 -2.521
15 HA LEU 2 HA LEU 2 5.504 -2.515 -0.788
16 HB2 LEU 2 HB2 LEU 2 6.057 -4.151 -2.427
17 HB3 LEU 2 HB3 LEU 2 4.322 -4.236 -2.131
18 HG LEU 2 HG LEU 2 5.277 -2.612 -4.435
19 HD11 LEU 2 HD11 LEU 2 6.580 -4.480 -4.909
20 HD12 LEU 2 HD12 LEU 2 5.082 -4.788 -5.787
21 HD13 LEU 2 HD13 LEU 2 5.387 -5.601 -4.252
22 HD21 LEU 2 HD21 LEU 2 2.848 -4.123 -3.615
23 HD22 LEU 2 HD22 LEU 2 3.175 -3.919 -5.336
24 HD23 LEU 2 HD23 LEU 2 2.996 -2.504 -4.298
25 H PHE 3 H PHE 3 4.702 -0.197 -3.095
26 HA PHE 3 HA PHE 3 7.552 0.355 -3.604
27 HB2 PHE 3 HB2 PHE 3 5.177 0.516 -5.422
28 HB3 PHE 3 HB3 PHE 3 6.537 1.604 -5.678
29 HD1 PHE 3 HD1 PHE 3 5.180 -1.513 -6.493
30 HD2 PHE 3 HD2 PHE 3 8.892 0.418 -5.712
31 HE1 PHE 3 HE1 PHE 3 6.358 -3.285 -7.727
32 HE2 PHE 3 HE2 PHE 3 10.076 -1.351 -6.947
33 HZ PHE 3 HZ PHE 3 8.809 -3.207 -7.955
34 H ASP 4 H ASP 4 4.334 1.845 -3.351
35 HA ASP 4 HA ASP 4 5.053 4.503 -3.243
36 HB2 ASP 4 HB2 ASP 4 2.709 3.242 -3.067
37 HB3 ASP 4 HB3 ASP 4 2.939 3.589 -1.355
38 H LYS 5 H LYS 5 4.864 2.194 -0.550
39 HA LYS 5 HA LYS 5 5.456 3.875 1.556
40 HB2 LYS 5 HB2 LYS 5 6.338 1.012 1.144
41 HB3 LYS 5 HB3 LYS 5 6.399 1.866 2.680
42 HG2 LYS 5 HG2 LYS 5 3.931 1.185 1.096
43 HG3 LYS 5 HG3 LYS 5 4.456 0.452 2.614
44 HD2 LYS 5 HD2 LYS 5 3.044 1.957 3.526
45 HD3 LYS 5 HD3 LYS 5 4.407 3.060 3.320
46 HE2 LYS 5 HE2 LYS 5 3.218 3.195 0.874
47 HE3 LYS 5 HE3 LYS 5 1.824 2.960 1.928
48 HZ1 LYS 5 HZ1 LYS 5 3.667 4.894 2.955
49 HZ2 LYS 5 HZ2 LYS 5 1.999 5.022 2.705
50 HZ3 LYS 5 HZ3 LYS 5 3.071 5.327 1.432
51 H ILE 6 H ILE 6 7.583 2.577 -0.891
52 HA ILE 6 HA ILE 6 9.966 3.523 0.484
53 HB ILE 6 HB ILE 6 9.653 2.201 -2.214
54 HG12 ILE 6 HG12 ILE 6 10.958 0.381 -0.823
55 HG13 ILE 6 HG13 ILE 6 10.230 1.207 0.550
56 HG21 ILE 6 HG21 ILE 6 11.993 3.339 -0.785
57 HG22 ILE 6 HG22 ILE 6 12.220 1.830 -1.669
58 HG23 ILE 6 HG23 ILE 6 11.644 3.268 -2.513
59 HD11 ILE 6 HD11 ILE 6 8.063 0.663 -0.132
60 HD12 ILE 6 HD12 ILE 6 8.590 0.238 -1.761
61 HD13 ILE 6 HD13 ILE 6 9.006 -0.804 -0.400
62 H ARG 7 H ARG 7 7.964 4.352 -2.288
63 HA ARG 7 HA ARG 7 9.537 6.184 -3.600
64 HB2 ARG 7 HB2 ARG 7 6.725 5.577 -3.440
65 HB3 ARG 7 HB3 ARG 7 6.959 7.316 -3.545
66 HG2 ARG 7 HG2 ARG 7 6.757 6.615 -5.758
67 HG3 ARG 7 HG3 ARG 7 8.493 6.818 -5.520
68 HD2 ARG 7 HD2 ARG 7 8.892 4.543 -5.513
69 HD3 ARG 7 HD3 ARG 7 7.240 4.152 -5.040
70 HE ARG 7 HE ARG 7 6.637 4.152 -7.253
71 HH11 ARG 7 HH11 ARG 7 9.774 5.620 -6.908
72 HH12 ARG 7 HH12 ARG 7 10.077 5.680 -8.613
73 HH21 ARG 7 HH21 ARG 7 7.024 4.225 -9.499
74 HH22 ARG 7 HH22 ARG 7 8.512 4.887 -10.086
75 H GLN 8 H GLN 8 7.356 6.830 -0.860
76 HA GLN 8 HA GLN 8 7.779 9.547 -0.595
77 HB2 GLN 8 HB2 GLN 8 6.925 9.365 1.601
78 HB3 GLN 8 HB3 GLN 8 6.153 8.074 0.689
79 HG2 GLN 8 HG2 GLN 8 7.724 6.463 1.619
80 HG3 GLN 8 HG3 GLN 8 8.522 7.753 2.518
81 HE21 GLN 8 HE21 GLN 8 7.905 6.046 4.200
82 HE22 GLN 8 HE22 GLN 8 6.400 6.300 5.009
83 H VAL 9 H VAL 9 9.887 6.911 0.200
84 HA VAL 9 HA VAL 9 11.650 8.514 1.838
85 HB VAL 9 HB VAL 9 11.339 5.704 1.249
86 HG11 VAL 9 HG11 VAL 9 14.140 6.814 1.107
87 HG12 VAL 9 HG12 VAL 9 13.741 5.109 1.325
88 HG13 VAL 9 HG13 VAL 9 13.282 5.940 -0.162
89 HG21 VAL 9 HG21 VAL 9 11.227 6.733 3.474
90 HG22 VAL 9 HG22 VAL 9 12.447 5.461 3.402
91 HG23 VAL 9 HG23 VAL 9 12.936 7.155 3.359
92 H ILE 10 H ILE 10 11.449 7.434 -1.481
93 HA ILE 10 HA ILE 10 14.091 7.939 -2.280
94 HB ILE 10 HB ILE 10 11.626 8.258 -3.993
95 HG12 ILE 10 HG12 ILE 10 13.226 5.785 -3.305
96 HG13 ILE 10 HG13 ILE 10 11.539 6.094 -2.909
97 HG21 ILE 10 HG21 ILE 10 14.285 8.751 -4.567
98 HG22 ILE 10 HG22 ILE 10 14.004 7.137 -5.217
99 HG23 ILE 10 HG23 ILE 10 12.993 8.485 -5.738
100 HD11 ILE 10 HD11 ILE 10 11.251 4.765 -4.716
101 HD12 ILE 10 HD12 ILE 10 11.366 6.318 -5.545
102 HD13 ILE 10 HD13 ILE 10 12.771 5.256 -5.462
103 H ARG 11 H ARG 11 11.210 9.998 -2.742
104 HA ARG 11 HA ARG 11 10.969 12.249 -2.965
105 HB2 ARG 11 HB2 ARG 11 13.577 12.324 -1.436
106 HB3 ARG 11 HB3 ARG 11 12.497 13.689 -1.681
107 HG2 ARG 11 HG2 ARG 11 11.938 11.189 -0.104
108 HG3 ARG 11 HG3 ARG 11 12.153 12.826 0.519
109 HD2 ARG 11 HD2 ARG 11 9.905 11.833 -1.227
110 HD3 ARG 11 HD3 ARG 11 9.802 12.278 0.476
111 HE ARG 11 HE ARG 11 10.732 14.391 -1.249
112 HH11 ARG 11 HH11 ARG 11 7.960 12.832 0.167
113 HH12 ARG 11 HH12 ARG 11 6.939 14.224 0.021
114 HH21 ARG 11 HH21 ARG 11 9.397 16.230 -1.447
115 HH22 ARG 11 HH22 ARG 11 7.757 16.156 -0.899
116 H LYS 12 H LYS 12 12.379 10.732 -5.017
117 HA LYS 12 HA LYS 12 13.764 12.982 -6.296
118 HB2 LYS 12 HB2 LYS 12 14.824 10.269 -5.753
119 HB3 LYS 12 HB3 LYS 12 15.145 10.921 -7.355
120 HG2 LYS 12 HG2 LYS 12 16.990 11.651 -6.231
121 HG3 LYS 12 HG3 LYS 12 15.913 13.030 -5.996
122 HD2 LYS 12 HD2 LYS 12 15.447 12.434 -3.782
123 HD3 LYS 12 HD3 LYS 12 16.022 10.781 -4.011
124 HE2 LYS 12 HE2 LYS 12 18.279 11.467 -4.038
125 HE3 LYS 12 HE3 LYS 12 17.842 13.164 -4.235
126 HZ1 LYS 12 HZ1 LYS 12 18.557 12.276 -1.926
127 HZ2 LYS 12 HZ2 LYS 12 16.966 11.711 -1.833
128 HZ3 LYS 12 HZ3 LYS 12 17.266 13.364 -2.035
Start of MODEL 7
1 H1 ARG 1 H ARG 1 1.692 0.963 0.749
2 HA ARG 1 HA ARG 1 1.724 -0.683 -1.595
3 HB2 ARG 1 HB2 ARG 1 2.067 2.129 -0.954
4 HB3 ARG 1 HB3 ARG 1 3.248 1.587 -2.139
5 HG2 ARG 1 HG2 ARG 1 0.335 0.979 -2.471
6 HG3 ARG 1 HG3 ARG 1 1.016 2.527 -2.975
7 HD2 ARG 1 HD2 ARG 1 2.283 1.580 -4.646
8 HD3 ARG 1 HD3 ARG 1 2.343 0.007 -3.852
9 HE ARG 1 HE ARG 1 -0.307 0.588 -4.612
10 HH11 ARG 1 HH11 ARG 1 2.778 -0.272 -5.977
11 HH12 ARG 1 HH12 ARG 1 2.093 -1.063 -7.358
12 HH21 ARG 1 HH21 ARG 1 -1.221 -0.450 -6.426
13 HH22 ARG 1 HH22 ARG 1 -0.182 -1.162 -7.613
14 H LEU 2 H LEU 2 3.414 -1.667 -2.591
15 HA LEU 2 HA LEU 2 5.799 -2.091 -1.015
16 HB2 LEU 2 HB2 LEU 2 6.230 -3.899 -2.372
17 HB3 LEU 2 HB3 LEU 2 4.470 -3.815 -2.416
18 HG LEU 2 HG LEU 2 6.290 -2.734 -4.566
19 HD11 LEU 2 HD11 LEU 2 4.583 -5.170 -4.846
20 HD12 LEU 2 HD12 LEU 2 6.198 -5.292 -4.150
21 HD13 LEU 2 HD13 LEU 2 5.989 -4.671 -5.787
22 HD21 LEU 2 HD21 LEU 2 4.102 -2.830 -5.858
23 HD22 LEU 2 HD22 LEU 2 4.257 -1.554 -4.650
24 HD23 LEU 2 HD23 LEU 2 3.309 -2.998 -4.292
25 H PHE 3 H PHE 3 4.910 0.315 -3.003
26 HA PHE 3 HA PHE 3 7.689 0.850 -3.785
27 HB2 PHE 3 HB2 PHE 3 5.244 0.954 -5.527
28 HB3 PHE 3 HB3 PHE 3 6.632 1.981 -5.871
29 HD1 PHE 3 HD1 PHE 3 5.131 -0.935 -6.803
30 HD2 PHE 3 HD2 PHE 3 8.953 0.529 -5.637
31 HE1 PHE 3 HE1 PHE 3 6.205 -2.798 -7.998
32 HE2 PHE 3 HE2 PHE 3 10.034 -1.331 -6.832
33 HZ PHE 3 HZ PHE 3 8.659 -2.998 -8.013
34 H ASP 4 H ASP 4 4.451 2.345 -3.727
35 HA ASP 4 HA ASP 4 5.221 4.991 -3.556
36 HB2 ASP 4 HB2 ASP 4 2.813 3.506 -3.213
37 HB3 ASP 4 HB3 ASP 4 2.945 4.641 -1.873
38 H LYS 5 H LYS 5 4.640 2.718 -0.885
39 HA LYS 5 HA LYS 5 5.096 4.430 1.246
40 HB2 LYS 5 HB2 LYS 5 5.768 1.492 1.009
41 HB3 LYS 5 HB3 LYS 5 5.727 2.389 2.521
42 HG2 LYS 5 HG2 LYS 5 3.382 1.988 0.674
43 HG3 LYS 5 HG3 LYS 5 3.691 1.076 2.154
44 HD2 LYS 5 HD2 LYS 5 3.281 4.063 2.001
45 HD3 LYS 5 HD3 LYS 5 2.053 2.891 2.483
46 HE2 LYS 5 HE2 LYS 5 3.736 2.147 4.265
47 HE3 LYS 5 HE3 LYS 5 4.590 3.646 3.902
48 HZ1 LYS 5 HZ1 LYS 5 1.715 3.737 4.505
49 HZ2 LYS 5 HZ2 LYS 5 2.899 4.921 4.744
50 HZ3 LYS 5 HZ3 LYS 5 2.821 3.583 5.777
51 H ILE 6 H ILE 6 7.351 2.993 -0.967
52 HA ILE 6 HA ILE 6 9.651 3.681 0.676
53 HB ILE 6 HB ILE 6 9.515 2.485 -2.094
54 HG12 ILE 6 HG12 ILE 6 10.491 0.503 -0.651
55 HG13 ILE 6 HG13 ILE 6 9.681 1.342 0.667
56 HG21 ILE 6 HG21 ILE 6 11.630 3.250 -2.191
57 HG22 ILE 6 HG22 ILE 6 11.747 3.456 -0.444
58 HG23 ILE 6 HG23 ILE 6 11.972 1.861 -1.160
59 HD11 ILE 6 HD11 ILE 6 8.244 0.614 -1.858
60 HD12 ILE 6 HD12 ILE 6 8.407 -0.512 -0.510
61 HD13 ILE 6 HD13 ILE 6 7.571 1.023 -0.281
62 H ARG 7 H ARG 7 8.018 4.776 -2.239
63 HA ARG 7 HA ARG 7 9.867 6.499 -3.318
64 HB2 ARG 7 HB2 ARG 7 7.018 6.135 -3.465
65 HB3 ARG 7 HB3 ARG 7 7.394 7.852 -3.451
66 HG2 ARG 7 HG2 ARG 7 7.347 7.242 -5.711
67 HG3 ARG 7 HG3 ARG 7 9.059 7.355 -5.297
68 HD2 ARG 7 HD2 ARG 7 9.362 5.068 -5.361
69 HD3 ARG 7 HD3 ARG 7 7.657 4.731 -5.061
70 HE ARG 7 HE ARG 7 7.269 4.844 -7.318
71 HH11 ARG 7 HH11 ARG 7 10.408 6.176 -6.618
72 HH12 ARG 7 HH12 ARG 7 10.871 6.298 -8.283
73 HH21 ARG 7 HH21 ARG 7 7.867 5.000 -9.513
74 HH22 ARG 7 HH22 ARG 7 9.425 5.630 -9.929
75 H GLN 8 H GLN 8 7.489 7.253 -0.776
76 HA GLN 8 HA GLN 8 8.123 9.910 -0.360
77 HB2 GLN 8 HB2 GLN 8 7.046 9.735 1.739
78 HB3 GLN 8 HB3 GLN 8 6.248 8.564 0.697
79 HG2 GLN 8 HG2 GLN 8 7.548 6.768 1.695
80 HG3 GLN 8 HG3 GLN 8 8.384 7.933 2.721
81 HE21 GLN 8 HE21 GLN 8 7.692 7.775 4.721
82 HE22 GLN 8 HE22 GLN 8 6.053 7.562 5.222
83 H VAL 9 H VAL 9 9.895 7.064 0.530
84 HA VAL 9 HA VAL 9 11.617 8.437 2.402
85 HB VAL 9 HB VAL 9 11.128 5.691 1.649
86 HG11 VAL 9 HG11 VAL 9 13.220 5.802 0.457
87 HG12 VAL 9 HG12 VAL 9 14.012 6.551 1.845
88 HG13 VAL 9 HG13 VAL 9 13.449 4.882 1.943
89 HG21 VAL 9 HG21 VAL 9 10.873 6.649 3.899
90 HG22 VAL 9 HG22 VAL 9 11.965 5.264 3.889
91 HG23 VAL 9 HG23 VAL 9 12.617 6.900 3.978
92 H ILE 10 H ILE 10 11.661 7.512 -0.969
93 HA ILE 10 HA ILE 10 14.405 7.806 -1.480
94 HB ILE 10 HB ILE 10 12.168 8.412 -3.413
95 HG12 ILE 10 HG12 ILE 10 13.456 5.775 -2.679
96 HG13 ILE 10 HG13 ILE 10 11.772 6.229 -2.439
97 HG21 ILE 10 HG21 ILE 10 14.418 9.102 -4.125
98 HG22 ILE 10 HG22 ILE 10 14.986 7.450 -3.887
99 HG23 ILE 10 HG23 ILE 10 13.776 7.797 -5.122
100 HD11 ILE 10 HD11 ILE 10 13.184 5.398 -4.907
101 HD12 ILE 10 HD12 ILE 10 11.574 4.978 -4.321
102 HD13 ILE 10 HD13 ILE 10 11.861 6.556 -5.055
103 H ARG 11 H ARG 11 11.766 10.131 -2.093
104 HA ARG 11 HA ARG 11 11.740 12.401 -2.230
105 HB2 ARG 11 HB2 ARG 11 14.201 12.176 -0.486
106 HB3 ARG 11 HB3 ARG 11 13.276 13.646 -0.759
107 HG2 ARG 11 HG2 ARG 11 12.342 11.151 0.639
108 HG3 ARG 11 HG3 ARG 11 12.670 12.726 1.365
109 HD2 ARG 11 HD2 ARG 11 10.519 12.124 -0.663
110 HD3 ARG 11 HD3 ARG 11 10.270 12.351 1.068
111 HE ARG 11 HE ARG 11 10.682 14.398 -0.910
112 HH11 ARG 11 HH11 ARG 11 10.906 13.582 2.466
113 HH12 ARG 11 HH12 ARG 11 10.803 15.225 3.005
114 HH21 ARG 11 HH21 ARG 11 10.544 16.566 -0.214
115 HH22 ARG 11 HH22 ARG 11 10.596 16.922 1.480
116 H LYS 12 H LYS 12 13.170 10.859 -4.238
117 HA LYS 12 HA LYS 12 15.604 11.889 -5.031
118 HB2 LYS 12 HB2 LYS 12 15.010 11.204 -7.299
119 HB3 LYS 12 HB3 LYS 12 14.509 9.988 -6.131
120 HG2 LYS 12 HG2 LYS 12 12.506 12.032 -6.877
121 HG3 LYS 12 HG3 LYS 12 12.936 10.837 -8.102
122 HD2 LYS 12 HD2 LYS 12 12.550 9.561 -5.554
123 HD3 LYS 12 HD3 LYS 12 11.138 10.534 -5.971
124 HE2 LYS 12 HE2 LYS 12 10.738 8.400 -6.889
125 HE3 LYS 12 HE3 LYS 12 11.215 9.421 -8.245
126 HZ1 LYS 12 HZ1 LYS 12 13.551 8.514 -7.767
127 HZ2 LYS 12 HZ2 LYS 12 12.446 7.505 -8.554
128 HZ3 LYS 12 HZ3 LYS 12 12.757 7.295 -6.905
Start of MODEL 8
1 H1 ARG 1 H ARG 1 2.474 -0.031 1.344
2 HA ARG 1 HA ARG 1 1.733 -0.658 -1.300
3 HB2 ARG 1 HB2 ARG 1 2.233 2.148 -0.755
4 HB3 ARG 1 HB3 ARG 1 3.361 1.514 -1.946
5 HG2 ARG 1 HG2 ARG 1 0.391 1.134 -2.168
6 HG3 ARG 1 HG3 ARG 1 1.233 2.532 -2.839
7 HD2 ARG 1 HD2 ARG 1 2.388 1.248 -4.393
8 HD3 ARG 1 HD3 ARG 1 2.149 -0.243 -3.482
9 HE ARG 1 HE ARG 1 -0.364 0.607 -4.242
10 HH11 ARG 1 HH11 ARG 1 2.593 -0.340 -5.817
11 HH12 ARG 1 HH12 ARG 1 1.797 -0.958 -7.227
12 HH21 ARG 1 HH21 ARG 1 -1.423 -0.203 -6.094
13 HH22 ARG 1 HH22 ARG 1 -0.487 -0.878 -7.384
14 H LEU 2 H LEU 2 3.538 -1.297 -2.608
15 HA LEU 2 HA LEU 2 5.864 -2.005 -0.984
16 HB2 LEU 2 HB2 LEU 2 6.338 -3.673 -2.622
17 HB3 LEU 2 HB3 LEU 2 4.626 -3.764 -2.216
18 HG LEU 2 HG LEU 2 5.408 -2.178 -4.607
19 HD11 LEU 2 HD11 LEU 2 5.933 -3.926 -5.953
20 HD12 LEU 2 HD12 LEU 2 4.989 -5.081 -5.013
21 HD13 LEU 2 HD13 LEU 2 6.575 -4.564 -4.439
22 HD21 LEU 2 HD21 LEU 2 3.283 -3.573 -5.339
23 HD22 LEU 2 HD22 LEU 2 3.141 -2.113 -4.360
24 HD23 LEU 2 HD23 LEU 2 3.066 -3.700 -3.594
25 H PHE 3 H PHE 3 4.993 0.432 -2.995
26 HA PHE 3 HA PHE 3 7.789 0.932 -3.750
27 HB2 PHE 3 HB2 PHE 3 5.343 1.149 -5.490
28 HB3 PHE 3 HB3 PHE 3 6.799 2.077 -5.837
29 HD1 PHE 3 HD1 PHE 3 5.134 -0.587 -6.967
30 HD2 PHE 3 HD2 PHE 3 8.980 0.324 -5.388
31 HE1 PHE 3 HE1 PHE 3 6.077 -2.523 -8.157
32 HE2 PHE 3 HE2 PHE 3 9.930 -1.610 -6.575
33 HZ PHE 3 HZ PHE 3 8.478 -3.036 -7.963
34 H ASP 4 H ASP 4 4.562 2.405 -3.474
35 HA ASP 4 HA ASP 4 5.367 5.069 -3.356
36 HB2 ASP 4 HB2 ASP 4 2.952 3.566 -2.846
37 HB3 ASP 4 HB3 ASP 4 3.141 4.851 -1.657
38 H LYS 5 H LYS 5 4.811 2.774 -0.697
39 HA LYS 5 HA LYS 5 5.339 4.454 1.442
40 HB2 LYS 5 HB2 LYS 5 6.060 1.525 1.219
41 HB3 LYS 5 HB3 LYS 5 5.874 2.434 2.714
42 HG2 LYS 5 HG2 LYS 5 3.707 1.828 0.713
43 HG3 LYS 5 HG3 LYS 5 3.917 1.079 2.297
44 HD2 LYS 5 HD2 LYS 5 3.511 3.197 3.392
45 HD3 LYS 5 HD3 LYS 5 3.425 4.020 1.833
46 HE2 LYS 5 HE2 LYS 5 1.420 2.862 1.253
47 HE3 LYS 5 HE3 LYS 5 1.568 1.791 2.646
48 HZ1 LYS 5 HZ1 LYS 5 -0.052 3.749 2.780
49 HZ2 LYS 5 HZ2 LYS 5 1.322 4.709 3.004
50 HZ3 LYS 5 HZ3 LYS 5 0.967 3.472 4.102
51 H ILE 6 H ILE 6 7.529 3.006 -0.832
52 HA ILE 6 HA ILE 6 9.871 3.654 0.767
53 HB ILE 6 HB ILE 6 9.663 2.478 -2.008
54 HG12 ILE 6 HG12 ILE 6 10.639 0.473 -0.601
55 HG13 ILE 6 HG13 ILE 6 9.873 1.315 0.742
56 HG21 ILE 6 HG21 ILE 6 11.826 2.921 -2.227
57 HG22 ILE 6 HG22 ILE 6 11.880 3.625 -0.612
58 HG23 ILE 6 HG23 ILE 6 12.148 1.896 -0.828
59 HD11 ILE 6 HD11 ILE 6 7.737 1.028 -0.154
60 HD12 ILE 6 HD12 ILE 6 8.365 0.628 -1.753
61 HD13 ILE 6 HD13 ILE 6 8.547 -0.515 -0.423
62 H ARG 7 H ARG 7 8.190 4.789 -2.106
63 HA ARG 7 HA ARG 7 10.037 6.496 -3.214
64 HB2 ARG 7 HB2 ARG 7 7.184 6.164 -3.306
65 HB3 ARG 7 HB3 ARG 7 7.576 7.878 -3.282
66 HG2 ARG 7 HG2 ARG 7 7.472 7.281 -5.548
67 HG3 ARG 7 HG3 ARG 7 9.192 7.395 -5.169
68 HD2 ARG 7 HD2 ARG 7 9.498 5.108 -5.258
69 HD3 ARG 7 HD3 ARG 7 7.801 4.765 -4.923
70 HE ARG 7 HE ARG 7 7.362 4.896 -7.170
71 HH11 ARG 7 HH11 ARG 7 10.515 6.227 -6.529
72 HH12 ARG 7 HH12 ARG 7 10.941 6.363 -8.203
73 HH21 ARG 7 HH21 ARG 7 7.912 5.069 -9.377
74 HH22 ARG 7 HH22 ARG 7 9.460 5.705 -9.822
75 H GLN 8 H GLN 8 7.724 7.262 -0.617
76 HA GLN 8 HA GLN 8 8.400 9.908 -0.198
77 HB2 GLN 8 HB2 GLN 8 7.365 9.733 1.921
78 HB3 GLN 8 HB3 GLN 8 6.532 8.578 0.890
79 HG2 GLN 8 HG2 GLN 8 7.832 6.761 1.851
80 HG3 GLN 8 HG3 GLN 8 8.703 7.910 2.865
81 HE21 GLN 8 HE21 GLN 8 7.932 6.561 4.617
82 HE22 GLN 8 HE22 GLN 8 6.347 6.824 5.253
83 H VAL 9 H VAL 9 10.156 7.036 0.634
84 HA VAL 9 HA VAL 9 11.935 8.376 2.476
85 HB VAL 9 HB VAL 9 11.395 5.640 1.719
86 HG11 VAL 9 HG11 VAL 9 14.293 6.464 1.856
87 HG12 VAL 9 HG12 VAL 9 13.712 4.800 1.957
88 HG13 VAL 9 HG13 VAL 9 13.462 5.735 0.482
89 HG21 VAL 9 HG21 VAL 9 12.314 5.196 3.937
90 HG22 VAL 9 HG22 VAL 9 12.927 6.848 4.022
91 HG23 VAL 9 HG23 VAL 9 11.189 6.553 3.979
92 H ILE 10 H ILE 10 11.894 7.471 -0.900
93 HA ILE 10 HA ILE 10 14.630 7.733 -1.468
94 HB ILE 10 HB ILE 10 12.360 8.378 -3.350
95 HG12 ILE 10 HG12 ILE 10 13.629 5.721 -2.658
96 HG13 ILE 10 HG13 ILE 10 11.957 6.195 -2.379
97 HG21 ILE 10 HG21 ILE 10 15.153 7.380 -3.892
98 HG22 ILE 10 HG22 ILE 10 13.921 7.755 -5.096
99 HG23 ILE 10 HG23 ILE 10 14.605 9.043 -4.104
100 HD11 ILE 10 HD11 ILE 10 12.016 6.539 -5.003
101 HD12 ILE 10 HD12 ILE 10 13.299 5.337 -4.870
102 HD13 ILE 10 HD13 ILE 10 11.684 4.973 -4.263
103 H ARG 11 H ARG 11 12.008 10.095 -2.012
104 HA ARG 11 HA ARG 11 12.007 12.365 -2.136
105 HB2 ARG 11 HB2 ARG 11 14.498 12.097 -0.443
106 HB3 ARG 11 HB3 ARG 11 13.591 13.582 -0.692
107 HG2 ARG 11 HG2 ARG 11 12.656 11.097 0.721
108 HG3 ARG 11 HG3 ARG 11 13.004 12.672 1.437
109 HD2 ARG 11 HD2 ARG 11 10.789 12.012 -0.499
110 HD3 ARG 11 HD3 ARG 11 10.616 12.391 1.214
111 HE ARG 11 HE ARG 11 11.888 14.459 -0.337
112 HH11 ARG 11 HH11 ARG 11 8.871 13.161 0.816
113 HH12 ARG 11 HH12 ARG 11 8.020 14.664 0.675
114 HH21 ARG 11 HH21 ARG 11 10.780 16.444 -0.527
115 HH22 ARG 11 HH22 ARG 11 9.107 16.530 -0.090
116 H LYS 12 H LYS 12 13.385 10.811 -4.177
117 HA LYS 12 HA LYS 12 15.811 11.817 -5.015
118 HB2 LYS 12 HB2 LYS 12 15.175 11.141 -7.267
119 HB3 LYS 12 HB3 LYS 12 14.650 9.936 -6.099
120 HG2 LYS 12 HG2 LYS 12 12.717 12.050 -6.869
121 HG3 LYS 12 HG3 LYS 12 13.079 10.785 -8.045
122 HD2 LYS 12 HD2 LYS 12 12.653 9.167 -6.065
123 HD3 LYS 12 HD3 LYS 12 11.835 10.548 -5.330
124 HE2 LYS 12 HE2 LYS 12 10.188 9.257 -6.472
125 HE3 LYS 12 HE3 LYS 12 10.454 10.727 -7.407
126 HZ1 LYS 12 HZ1 LYS 12 12.040 8.374 -8.104
127 HZ2 LYS 12 HZ2 LYS 12 11.415 9.589 -9.100
128 HZ3 LYS 12 HZ3 LYS 12 10.402 8.361 -8.528
Start of MODEL 9
1 H1 ARG 1 H ARG 1 1.443 0.424 0.831
2 HA ARG 1 HA ARG 1 1.877 -1.164 -1.302
3 HB2 ARG 1 HB2 ARG 1 2.104 1.688 -0.791
4 HB3 ARG 1 HB3 ARG 1 3.213 1.162 -2.051
5 HG2 ARG 1 HG2 ARG 1 0.306 0.429 -2.094
6 HG3 ARG 1 HG3 ARG 1 0.903 1.947 -2.768
7 HD2 ARG 1 HD2 ARG 1 2.616 0.249 -3.929
8 HD3 ARG 1 HD3 ARG 1 1.235 -0.829 -3.735
9 HE ARG 1 HE ARG 1 1.493 1.269 -5.624
10 HH11 ARG 1 HH11 ARG 1 -0.825 -0.320 -3.569
11 HH12 ARG 1 HH12 ARG 1 -2.179 0.064 -4.579
12 HH21 ARG 1 HH21 ARG 1 -0.282 1.780 -6.962
13 HH22 ARG 1 HH22 ARG 1 -1.869 1.258 -6.510
14 H LEU 2 H LEU 2 3.550 -2.059 -2.416
15 HA LEU 2 HA LEU 2 6.059 -2.315 -1.008
16 HB2 LEU 2 HB2 LEU 2 6.502 -4.118 -2.367
17 HB3 LEU 2 HB3 LEU 2 4.741 -4.137 -2.289
18 HG LEU 2 HG LEU 2 6.339 -2.989 -4.576
19 HD11 LEU 2 HD11 LEU 2 6.738 -5.320 -4.592
20 HD12 LEU 2 HD12 LEU 2 5.469 -5.024 -5.780
21 HD13 LEU 2 HD13 LEU 2 5.058 -5.684 -4.197
22 HD21 LEU 2 HD21 LEU 2 3.402 -3.466 -4.128
23 HD22 LEU 2 HD22 LEU 2 4.103 -3.188 -5.722
24 HD23 LEU 2 HD23 LEU 2 4.216 -1.941 -4.479
25 H PHE 3 H PHE 3 4.892 -0.004 -2.971
26 HA PHE 3 HA PHE 3 7.576 0.680 -3.946
27 HB2 PHE 3 HB2 PHE 3 5.015 0.625 -5.520
28 HB3 PHE 3 HB3 PHE 3 6.333 1.698 -5.978
29 HD1 PHE 3 HD1 PHE 3 4.901 -1.149 -6.963
30 HD2 PHE 3 HD2 PHE 3 8.719 0.199 -5.651
31 HE1 PHE 3 HE1 PHE 3 5.970 -2.995 -8.189
32 HE2 PHE 3 HE2 PHE 3 9.794 -1.645 -6.875
33 HZ PHE 3 HZ PHE 3 8.419 -3.246 -8.145
34 H ASP 4 H ASP 4 4.265 1.984 -3.698
35 HA ASP 4 HA ASP 4 4.886 4.673 -3.617
36 HB2 ASP 4 HB2 ASP 4 2.602 3.033 -3.013
37 HB3 ASP 4 HB3 ASP 4 2.750 4.306 -1.805
38 H LYS 5 H LYS 5 4.610 2.422 -0.879
39 HA LYS 5 HA LYS 5 5.105 4.202 1.189
40 HB2 LYS 5 HB2 LYS 5 5.925 1.300 0.965
41 HB3 LYS 5 HB3 LYS 5 5.917 2.226 2.459
42 HG2 LYS 5 HG2 LYS 5 3.503 1.635 0.758
43 HG3 LYS 5 HG3 LYS 5 3.944 0.801 2.250
44 HD2 LYS 5 HD2 LYS 5 3.326 3.745 2.002
45 HD3 LYS 5 HD3 LYS 5 2.224 2.515 2.626
46 HE2 LYS 5 HE2 LYS 5 3.866 2.004 4.403
47 HE3 LYS 5 HE3 LYS 5 4.885 3.311 3.803
48 HZ1 LYS 5 HZ1 LYS 5 3.255 3.740 5.748
49 HZ2 LYS 5 HZ2 LYS 5 2.090 3.866 4.529
50 HZ3 LYS 5 HZ3 LYS 5 3.424 4.906 4.534
51 H ILE 6 H ILE 6 7.287 2.848 -1.144
52 HA ILE 6 HA ILE 6 9.648 3.682 0.337
53 HB ILE 6 HB ILE 6 9.398 2.435 -2.403
54 HG12 ILE 6 HG12 ILE 6 10.570 0.532 -1.003
55 HG13 ILE 6 HG13 ILE 6 9.805 1.349 0.356
56 HG21 ILE 6 HG21 ILE 6 11.645 3.635 -0.987
57 HG22 ILE 6 HG22 ILE 6 11.952 1.980 -1.512
58 HG23 ILE 6 HG23 ILE 6 11.477 3.204 -2.689
59 HD11 ILE 6 HD11 ILE 6 7.657 0.904 -0.444
60 HD12 ILE 6 HD12 ILE 6 8.247 0.501 -2.057
61 HD13 ILE 6 HD13 ILE 6 8.557 -0.589 -0.707
62 H ARG 7 H ARG 7 7.761 4.652 -2.464
63 HA ARG 7 HA ARG 7 9.438 6.446 -3.698
64 HB2 ARG 7 HB2 ARG 7 6.608 5.944 -3.626
65 HB3 ARG 7 HB3 ARG 7 6.899 7.678 -3.656
66 HG2 ARG 7 HG2 ARG 7 6.719 7.050 -5.900
67 HG3 ARG 7 HG3 ARG 7 8.452 7.226 -5.617
68 HD2 ARG 7 HD2 ARG 7 8.854 5.026 -5.910
69 HD3 ARG 7 HD3 ARG 7 7.355 4.542 -5.119
70 HE ARG 7 HE ARG 7 6.493 5.579 -7.455
71 HH11 ARG 7 HH11 ARG 7 8.914 3.207 -6.663
72 HH12 ARG 7 HH12 ARG 7 8.717 2.322 -8.140
73 HH21 ARG 7 HH21 ARG 7 6.224 4.423 -9.403
74 HH22 ARG 7 HH22 ARG 7 7.187 3.015 -9.698
75 H GLN 8 H GLN 8 7.225 7.123 -0.991
76 HA GLN 8 HA GLN 8 7.760 9.812 -0.653
77 HB2 GLN 8 HB2 GLN 8 6.856 9.616 1.526
78 HB3 GLN 8 HB3 GLN 8 6.036 8.398 0.557
79 HG2 GLN 8 HG2 GLN 8 7.485 6.672 1.469
80 HG3 GLN 8 HG3 GLN 8 8.348 7.884 2.414
81 HE21 GLN 8 HE21 GLN 8 7.679 8.233 4.410
82 HE22 GLN 8 HE22 GLN 8 6.151 7.761 5.063
83 H VAL 9 H VAL 9 9.730 7.067 0.129
84 HA VAL 9 HA VAL 9 11.521 8.551 1.846
85 HB VAL 9 HB VAL 9 11.103 5.771 1.178
86 HG11 VAL 9 HG11 VAL 9 13.091 5.952 -0.172
87 HG12 VAL 9 HG12 VAL 9 13.951 6.763 1.139
88 HG13 VAL 9 HG13 VAL 9 13.475 5.073 1.307
89 HG21 VAL 9 HG21 VAL 9 12.716 7.083 3.364
90 HG22 VAL 9 HG22 VAL 9 10.980 6.775 3.426
91 HG23 VAL 9 HG23 VAL 9 12.113 5.426 3.355
92 H ILE 10 H ILE 10 11.351 7.564 -1.503
93 HA ILE 10 HA ILE 10 14.031 7.965 -2.229
94 HB ILE 10 HB ILE 10 11.622 8.435 -3.986
95 HG12 ILE 10 HG12 ILE 10 13.103 5.881 -3.330
96 HG13 ILE 10 HG13 ILE 10 11.421 6.249 -2.965
97 HG21 ILE 10 HG21 ILE 10 13.036 8.661 -5.691
98 HG22 ILE 10 HG22 ILE 10 14.315 8.825 -4.489
99 HG23 ILE 10 HG23 ILE 10 13.970 7.248 -5.199
100 HD11 ILE 10 HD11 ILE 10 11.303 6.543 -5.589
101 HD12 ILE 10 HD12 ILE 10 12.680 5.443 -5.519
102 HD13 ILE 10 HD13 ILE 10 11.135 4.969 -4.812
103 H ARG 11 H ARG 11 11.259 10.166 -2.698
104 HA ARG 11 HA ARG 11 11.126 12.430 -2.867
105 HB2 ARG 11 HB2 ARG 11 13.703 12.348 -1.287
106 HB3 ARG 11 HB3 ARG 11 12.688 13.766 -1.516
107 HG2 ARG 11 HG2 ARG 11 11.981 11.251 -0.024
108 HG3 ARG 11 HG3 ARG 11 12.273 12.853 0.656
109 HD2 ARG 11 HD2 ARG 11 10.022 12.091 -1.202
110 HD3 ARG 11 HD3 ARG 11 9.885 12.366 0.534
111 HE ARG 11 HE ARG 11 10.004 14.355 -1.525
112 HH11 ARG 11 HH11 ARG 11 10.681 13.690 1.824
113 HH12 ARG 11 HH12 ARG 11 10.573 15.349 2.311
114 HH21 ARG 11 HH21 ARG 11 9.859 16.543 -0.898
115 HH22 ARG 11 HH22 ARG 11 10.104 16.971 0.762
116 H LYS 12 H LYS 12 12.541 10.881 -4.913
117 HA LYS 12 HA LYS 12 14.030 13.105 -6.120
118 HB2 LYS 12 HB2 LYS 12 14.982 10.347 -5.601
119 HB3 LYS 12 HB3 LYS 12 15.371 11.020 -7.178
120 HG2 LYS 12 HG2 LYS 12 17.208 11.646 -5.970
121 HG3 LYS 12 HG3 LYS 12 16.183 13.070 -5.776
122 HD2 LYS 12 HD2 LYS 12 15.548 12.432 -3.590
123 HD3 LYS 12 HD3 LYS 12 16.192 10.802 -3.798
124 HE2 LYS 12 HE2 LYS 12 18.466 11.855 -4.043
125 HE3 LYS 12 HE3 LYS 12 17.731 13.379 -3.546
126 HZ1 LYS 12 HZ1 LYS 12 16.907 11.631 -1.643
127 HZ2 LYS 12 HZ2 LYS 12 18.197 12.713 -1.488
128 HZ3 LYS 12 HZ3 LYS 12 18.487 11.114 -1.956
Start of MODEL 10
1 H1 ARG 1 H ARG 1 2.189 0.040 1.308
2 HA ARG 1 HA ARG 1 1.702 -0.755 -1.462
3 HB2 ARG 1 HB2 ARG 1 2.087 1.990 -0.528
4 HB3 ARG 1 HB3 ARG 1 3.233 1.520 -1.777
5 HG2 ARG 1 HG2 ARG 1 0.288 1.069 -2.101
6 HG3 ARG 1 HG3 ARG 1 1.046 2.610 -2.508
7 HD2 ARG 1 HD2 ARG 1 2.113 1.761 -4.322
8 HD3 ARG 1 HD3 ARG 1 2.327 0.173 -3.587
9 HE ARG 1 HE ARG 1 -0.391 0.509 -4.092
10 HH11 ARG 1 HH11 ARG 1 2.590 0.251 -5.873
11 HH12 ARG 1 HH12 ARG 1 1.846 -0.455 -7.270
12 HH21 ARG 1 HH21 ARG 1 -1.381 -0.420 -5.925
13 HH22 ARG 1 HH22 ARG 1 -0.413 -0.835 -7.299
14 H LEU 2 H LEU 2 3.516 -1.469 -2.552
15 HA LEU 2 HA LEU 2 5.840 -1.992 -0.856
16 HB2 LEU 2 HB2 LEU 2 6.280 -3.833 -2.150
17 HB3 LEU 2 HB3 LEU 2 4.523 -3.749 -2.250
18 HG LEU 2 HG LEU 2 6.412 -2.723 -4.366
19 HD11 LEU 2 HD11 LEU 2 4.871 -5.303 -4.175
20 HD12 LEU 2 HD12 LEU 2 6.620 -5.104 -4.271
21 HD13 LEU 2 HD13 LEU 2 5.609 -4.694 -5.656
22 HD21 LEU 2 HD21 LEU 2 3.434 -2.865 -4.103
23 HD22 LEU 2 HD22 LEU 2 4.198 -2.916 -5.692
24 HD23 LEU 2 HD23 LEU 2 4.447 -1.524 -4.637
25 H PHE 3 H PHE 3 4.937 0.377 -2.866
26 HA PHE 3 HA PHE 3 7.707 0.904 -3.688
27 HB2 PHE 3 HB2 PHE 3 5.240 0.940 -5.385
28 HB3 PHE 3 HB3 PHE 3 6.545 2.067 -5.739
29 HD1 PHE 3 HD1 PHE 3 5.233 -0.864 -6.786
30 HD2 PHE 3 HD2 PHE 3 8.967 0.709 -5.481
31 HE1 PHE 3 HE1 PHE 3 6.409 -2.628 -8.035
32 HE2 PHE 3 HE2 PHE 3 10.148 -1.051 -6.728
33 HZ PHE 3 HZ PHE 3 8.870 -2.722 -8.008
34 H ASP 4 H ASP 4 4.467 2.371 -3.465
35 HA ASP 4 HA ASP 4 5.231 5.031 -3.358
36 HB2 ASP 4 HB2 ASP 4 2.849 3.514 -2.844
37 HB3 ASP 4 HB3 ASP 4 3.037 4.741 -1.594
38 H LYS 5 H LYS 5 4.762 2.768 -0.655
39 HA LYS 5 HA LYS 5 5.314 4.494 1.444
40 HB2 LYS 5 HB2 LYS 5 6.066 1.570 1.281
41 HB3 LYS 5 HB3 LYS 5 5.855 2.511 2.752
42 HG2 LYS 5 HG2 LYS 5 3.695 1.880 0.750
43 HG3 LYS 5 HG3 LYS 5 3.933 1.076 2.304
44 HD2 LYS 5 HD2 LYS 5 3.437 3.083 3.499
45 HD3 LYS 5 HD3 LYS 5 3.454 4.038 2.015
46 HE2 LYS 5 HE2 LYS 5 1.243 3.740 1.968
47 HE3 LYS 5 HE3 LYS 5 1.588 2.079 1.489
48 HZ1 LYS 5 HZ1 LYS 5 0.062 2.496 3.492
49 HZ2 LYS 5 HZ2 LYS 5 1.489 2.822 4.340
50 HZ3 LYS 5 HZ3 LYS 5 1.257 1.306 3.627
51 H ILE 6 H ILE 6 7.462 3.039 -0.857
52 HA ILE 6 HA ILE 6 9.835 3.701 0.689
53 HB ILE 6 HB ILE 6 9.572 2.515 -2.077
54 HG12 ILE 6 HG12 ILE 6 10.589 0.520 -0.682
55 HG13 ILE 6 HG13 ILE 6 9.843 1.362 0.671
56 HG21 ILE 6 HG21 ILE 6 11.851 3.565 -0.605
57 HG22 ILE 6 HG22 ILE 6 12.073 1.891 -1.111
58 HG23 ILE 6 HG23 ILE 6 11.704 3.132 -2.309
59 HD11 ILE 6 HD11 ILE 6 8.504 -0.478 -0.458
60 HD12 ILE 6 HD12 ILE 6 7.692 1.065 -0.189
61 HD13 ILE 6 HD13 ILE 6 8.296 0.654 -1.794
62 H ARG 7 H ARG 7 8.107 4.805 -2.173
63 HA ARG 7 HA ARG 7 9.928 6.525 -3.304
64 HB2 ARG 7 HB2 ARG 7 7.072 6.170 -3.364
65 HB3 ARG 7 HB3 ARG 7 7.460 7.885 -3.374
66 HG2 ARG 7 HG2 ARG 7 7.350 7.275 -5.626
67 HG3 ARG 7 HG3 ARG 7 9.075 7.346 -5.263
68 HD2 ARG 7 HD2 ARG 7 9.315 5.049 -5.319
69 HD3 ARG 7 HD3 ARG 7 7.608 4.760 -4.983
70 HE ARG 7 HE ARG 7 7.166 4.908 -7.233
71 HH11 ARG 7 HH11 ARG 7 10.393 6.050 -6.598
72 HH12 ARG 7 HH12 ARG 7 10.834 6.131 -8.272
73 HH21 ARG 7 HH21 ARG 7 7.734 5.012 -9.439
74 HH22 ARG 7 HH22 ARG 7 9.320 5.541 -9.887
75 H GLN 8 H GLN 8 7.623 7.283 -0.697
76 HA GLN 8 HA GLN 8 8.274 9.939 -0.300
77 HB2 GLN 8 HB2 GLN 8 7.251 9.769 1.824
78 HB3 GLN 8 HB3 GLN 8 6.428 8.592 0.809
79 HG2 GLN 8 HG2 GLN 8 7.763 6.803 1.779
80 HG3 GLN 8 HG3 GLN 8 8.617 7.976 2.781
81 HE21 GLN 8 HE21 GLN 8 5.323 6.902 2.025
82 HE22 GLN 8 HE22 GLN 8 4.723 7.039 3.639
83 H VAL 9 H VAL 9 10.064 7.090 0.542
84 HA VAL 9 HA VAL 9 11.840 8.459 2.365
85 HB VAL 9 HB VAL 9 11.325 5.714 1.625
86 HG11 VAL 9 HG11 VAL 9 13.383 5.822 0.375
87 HG12 VAL 9 HG12 VAL 9 14.215 6.568 1.741
88 HG13 VAL 9 HG13 VAL 9 13.652 4.900 1.854
89 HG21 VAL 9 HG21 VAL 9 11.145 6.697 3.883
90 HG22 VAL 9 HG22 VAL 9 12.198 5.282 3.841
91 HG23 VAL 9 HG23 VAL 9 12.897 6.899 3.911
92 H ILE 10 H ILE 10 11.789 7.536 -1.007
93 HA ILE 10 HA ILE 10 14.518 7.825 -1.592
94 HB ILE 10 HB ILE 10 12.230 8.434 -3.463
95 HG12 ILE 10 HG12 ILE 10 13.533 5.796 -2.764
96 HG13 ILE 10 HG13 ILE 10 11.857 6.253 -2.480
97 HG21 ILE 10 HG21 ILE 10 13.787 7.821 -5.216
98 HG22 ILE 10 HG22 ILE 10 14.461 9.121 -4.235
99 HG23 ILE 10 HG23 ILE 10 15.031 7.467 -4.018
100 HD11 ILE 10 HD11 ILE 10 13.199 5.402 -4.976
101 HD12 ILE 10 HD12 ILE 10 11.593 5.015 -4.357
102 HD13 ILE 10 HD13 ILE 10 11.896 6.583 -5.105
103 H ARG 11 H ARG 11 11.867 10.155 -2.132
104 HA ARG 11 HA ARG 11 11.841 12.425 -2.268
105 HB2 ARG 11 HB2 ARG 11 14.348 12.195 -0.592
106 HB3 ARG 11 HB3 ARG 11 13.419 13.667 -0.840
107 HG2 ARG 11 HG2 ARG 11 12.520 11.173 0.583
108 HG3 ARG 11 HG3 ARG 11 12.870 12.747 1.300
109 HD2 ARG 11 HD2 ARG 11 10.663 12.150 -0.668
110 HD3 ARG 11 HD3 ARG 11 10.462 12.377 1.069
111 HE ARG 11 HE ARG 11 10.830 14.425 -0.920
112 HH11 ARG 11 HH11 ARG 11 11.120 13.605 2.451
113 HH12 ARG 11 HH12 ARG 11 11.028 15.248 2.993
114 HH21 ARG 11 HH21 ARG 11 10.708 16.592 -0.219
115 HH22 ARG 11 HH22 ARG 11 10.793 16.946 1.473
116 H LYS 12 H LYS 12 13.218 10.876 -4.312
117 HA LYS 12 HA LYS 12 15.628 11.908 -5.171
118 HB2 LYS 12 HB2 LYS 12 14.984 11.210 -7.417
119 HB3 LYS 12 HB3 LYS 12 14.495 10.003 -6.235
120 HG2 LYS 12 HG2 LYS 12 12.504 12.067 -6.974
121 HG3 LYS 12 HG3 LYS 12 12.890 10.831 -8.175
122 HD2 LYS 12 HD2 LYS 12 12.563 9.550 -5.659
123 HD3 LYS 12 HD3 LYS 12 11.190 10.632 -5.906
124 HE2 LYS 12 HE2 LYS 12 10.640 8.488 -6.825
125 HE3 LYS 12 HE3 LYS 12 10.878 9.619 -8.156
126 HZ1 LYS 12 HZ1 LYS 12 12.778 7.546 -7.210
127 HZ2 LYS 12 HZ2 LYS 12 13.173 8.731 -8.350
128 HZ3 LYS 12 HZ3 LYS 12 11.970 7.593 -8.696
Start of MODEL 11
1 H1 ARG 1 H ARG 1 2.075 0.036 1.064
2 HA ARG 1 HA ARG 1 1.472 -0.326 -1.647
3 HB2 ARG 1 HB2 ARG 1 2.363 2.359 -0.907
4 HB3 ARG 1 HB3 ARG 1 3.368 1.616 -2.145
5 HG2 ARG 1 HG2 ARG 1 0.381 1.672 -2.379
6 HG3 ARG 1 HG3 ARG 1 1.381 3.030 -2.899
7 HD2 ARG 1 HD2 ARG 1 1.317 1.890 -4.861
8 HD3 ARG 1 HD3 ARG 1 2.696 1.070 -4.129
9 HE ARG 1 HE ARG 1 1.434 -0.838 -3.953
10 HH11 ARG 1 HH11 ARG 1 -0.639 1.862 -4.685
11 HH12 ARG 1 HH12 ARG 1 -2.035 0.879 -4.978
12 HH21 ARG 1 HH21 ARG 1 -0.397 -2.143 -4.336
13 HH22 ARG 1 HH22 ARG 1 -1.897 -1.399 -4.778
14 H LEU 2 H LEU 2 3.328 -1.035 -2.903
15 HA LEU 2 HA LEU 2 5.378 -2.194 -1.169
16 HB2 LEU 2 HB2 LEU 2 5.823 -3.727 -2.953
17 HB3 LEU 2 HB3 LEU 2 4.084 -3.661 -2.676
18 HG LEU 2 HG LEU 2 5.123 -1.884 -4.794
19 HD11 LEU 2 HD11 LEU 2 6.487 -3.853 -5.189
20 HD12 LEU 2 HD12 LEU 2 5.240 -3.707 -6.427
21 HD13 LEU 2 HD13 LEU 2 5.054 -4.881 -5.124
22 HD21 LEU 2 HD21 LEU 2 2.892 -1.809 -4.956
23 HD22 LEU 2 HD22 LEU 2 2.679 -3.312 -4.058
24 HD23 LEU 2 HD23 LEU 2 3.047 -3.360 -5.783
25 H PHE 3 H PHE 3 4.950 0.215 -3.584
26 HA PHE 3 HA PHE 3 7.869 0.598 -3.711
27 HB2 PHE 3 HB2 PHE 3 5.768 0.878 -5.836
28 HB3 PHE 3 HB3 PHE 3 7.255 1.816 -5.934
29 HD1 PHE 3 HD1 PHE 3 5.714 -1.128 -6.934
30 HD2 PHE 3 HD2 PHE 3 9.450 0.349 -5.526
31 HE1 PHE 3 HE1 PHE 3 6.856 -3.056 -7.951
32 HE2 PHE 3 HE2 PHE 3 10.597 -1.576 -6.541
33 HZ PHE 3 HZ PHE 3 9.301 -3.281 -7.756
34 H ASP 4 H ASP 4 4.718 2.222 -3.800
35 HA ASP 4 HA ASP 4 5.614 4.859 -3.672
36 HB2 ASP 4 HB2 ASP 4 3.174 3.693 -3.820
37 HB3 ASP 4 HB3 ASP 4 3.162 4.231 -2.143
38 H LYS 5 H LYS 5 4.921 2.557 -1.072
39 HA LYS 5 HA LYS 5 5.203 4.227 1.120
40 HB2 LYS 5 HB2 LYS 5 5.862 1.309 0.749
41 HB3 LYS 5 HB3 LYS 5 6.008 2.113 2.307
42 HG2 LYS 5 HG2 LYS 5 3.484 1.883 0.680
43 HG3 LYS 5 HG3 LYS 5 3.894 0.915 2.098
44 HD2 LYS 5 HD2 LYS 5 4.204 3.644 2.799
45 HD3 LYS 5 HD3 LYS 5 2.649 3.476 1.982
46 HE2 LYS 5 HE2 LYS 5 2.128 1.579 3.507
47 HE3 LYS 5 HE3 LYS 5 3.625 1.919 4.374
48 HZ1 LYS 5 HZ1 LYS 5 1.391 2.921 5.191
49 HZ2 LYS 5 HZ2 LYS 5 1.666 4.075 3.987
50 HZ3 LYS 5 HZ3 LYS 5 2.796 3.863 5.228
51 H ILE 6 H ILE 6 7.646 2.819 -0.944
52 HA ILE 6 HA ILE 6 9.807 3.670 0.806
53 HB ILE 6 HB ILE 6 9.889 2.343 -1.906
54 HG12 ILE 6 HG12 ILE 6 10.858 0.476 -0.317
55 HG13 ILE 6 HG13 ILE 6 9.947 1.344 0.915
56 HG21 ILE 6 HG21 ILE 6 11.956 3.580 -0.269
57 HG22 ILE 6 HG22 ILE 6 12.309 1.903 -0.683
58 HG23 ILE 6 HG23 ILE 6 11.997 3.079 -1.959
59 HD11 ILE 6 HD11 ILE 6 8.811 -0.617 -0.232
60 HD12 ILE 6 HD12 ILE 6 7.904 0.892 -0.125
61 HD13 ILE 6 HD13 ILE 6 8.679 0.434 -1.642
62 H ARG 7 H ARG 7 8.328 4.569 -2.255
63 HA ARG 7 HA ARG 7 10.177 6.317 -3.293
64 HB2 ARG 7 HB2 ARG 7 7.349 5.844 -3.590
65 HB3 ARG 7 HB3 ARG 7 7.683 7.569 -3.660
66 HG2 ARG 7 HG2 ARG 7 7.811 6.863 -5.874
67 HG3 ARG 7 HG3 ARG 7 9.495 6.969 -5.357
68 HD2 ARG 7 HD2 ARG 7 9.759 4.679 -5.297
69 HD3 ARG 7 HD3 ARG 7 8.036 4.382 -5.077
70 HE ARG 7 HE ARG 7 7.790 4.345 -7.350
71 HH11 ARG 7 HH11 ARG 7 10.846 5.815 -6.561
72 HH12 ARG 7 HH12 ARG 7 11.387 5.881 -8.206
73 HH21 ARG 7 HH21 ARG 7 8.491 4.426 -9.519
74 HH22 ARG 7 HH22 ARG 7 10.047 5.091 -9.887
75 H GLN 8 H GLN 8 7.612 7.084 -0.945
76 HA GLN 8 HA GLN 8 8.114 9.780 -0.614
77 HB2 GLN 8 HB2 GLN 8 6.908 9.655 1.415
78 HB3 GLN 8 HB3 GLN 8 6.232 8.398 0.387
79 HG2 GLN 8 HG2 GLN 8 7.547 6.717 1.558
80 HG3 GLN 8 HG3 GLN 8 8.255 7.971 2.575
81 HE21 GLN 8 HE21 GLN 8 5.118 6.648 1.598
82 HE22 GLN 8 HE22 GLN 8 4.357 6.852 3.135
83 H VAL 9 H VAL 9 9.933 7.053 0.521
84 HA VAL 9 HA VAL 9 11.478 8.579 2.427
85 HB VAL 9 HB VAL 9 11.143 5.784 1.779
86 HG11 VAL 9 HG11 VAL 9 13.299 5.928 0.710
87 HG12 VAL 9 HG12 VAL 9 13.975 6.767 2.107
88 HG13 VAL 9 HG13 VAL 9 13.470 5.083 2.248
89 HG21 VAL 9 HG21 VAL 9 10.697 6.778 3.960
90 HG22 VAL 9 HG22 VAL 9 11.912 5.506 4.088
91 HG23 VAL 9 HG23 VAL 9 12.401 7.200 4.128
92 H ILE 10 H ILE 10 11.777 7.498 -0.885
93 HA ILE 10 HA ILE 10 14.533 7.883 -1.239
94 HB ILE 10 HB ILE 10 12.402 8.314 -3.332
95 HG12 ILE 10 HG12 ILE 10 13.742 5.766 -2.404
96 HG13 ILE 10 HG13 ILE 10 12.031 6.160 -2.283
97 HG21 ILE 10 HG21 ILE 10 15.279 7.448 -3.590
98 HG22 ILE 10 HG22 ILE 10 14.135 7.692 -4.909
99 HG23 ILE 10 HG23 ILE 10 14.664 9.064 -3.936
100 HD11 ILE 10 HD11 ILE 10 12.296 6.386 -4.911
101 HD12 ILE 10 HD12 ILE 10 13.612 5.251 -4.608
102 HD13 ILE 10 HD13 ILE 10 11.967 4.845 -4.120
103 H ARG 11 H ARG 11 11.855 10.073 -2.123
104 HA ARG 11 HA ARG 11 11.755 12.332 -2.367
105 HB2 ARG 11 HB2 ARG 11 14.101 12.280 -0.459
106 HB3 ARG 11 HB3 ARG 11 13.145 13.700 -0.861
107 HG2 ARG 11 HG2 ARG 11 12.209 11.235 0.589
108 HG3 ARG 11 HG3 ARG 11 12.432 12.852 1.261
109 HD2 ARG 11 HD2 ARG 11 10.444 12.080 -0.873
110 HD3 ARG 11 HD3 ARG 11 10.072 12.371 0.826
111 HE ARG 11 HE ARG 11 10.514 14.343 -1.212
112 HH11 ARG 11 HH11 ARG 11 10.643 13.693 2.205
113 HH12 ARG 11 HH12 ARG 11 10.470 15.356 2.661
114 HH21 ARG 11 HH21 ARG 11 10.285 16.536 -0.626
115 HH22 ARG 11 HH22 ARG 11 10.265 16.972 1.050
116 H LYS 12 H LYS 12 13.419 10.730 -4.172
117 HA LYS 12 HA LYS 12 15.839 11.879 -4.852
118 HB2 LYS 12 HB2 LYS 12 15.667 10.775 -6.899
119 HB3 LYS 12 HB3 LYS 12 14.630 9.821 -5.847
120 HG2 LYS 12 HG2 LYS 12 13.697 11.931 -7.784
121 HG3 LYS 12 HG3 LYS 12 13.617 10.185 -8.035
122 HD2 LYS 12 HD2 LYS 12 12.269 10.136 -5.849
123 HD3 LYS 12 HD3 LYS 12 12.095 11.877 -6.076
124 HE2 LYS 12 HE2 LYS 12 10.174 10.802 -7.017
125 HE3 LYS 12 HE3 LYS 12 11.161 11.423 -8.339
126 HZ1 LYS 12 HZ1 LYS 12 10.208 9.005 -8.393
127 HZ2 LYS 12 HZ2 LYS 12 11.577 8.656 -7.464
128 HZ3 LYS 12 HZ3 LYS 12 11.751 9.337 -9.003
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.230 -0.199 1.463
2 HA ARG 1 HA ARG 1 1.332 -0.764 -1.160
3 HB2 ARG 1 HB2 ARG 1 2.053 1.993 -0.585
4 HB3 ARG 1 HB3 ARG 1 3.064 1.304 -1.848
5 HG2 ARG 1 HG2 ARG 1 0.055 1.255 -1.871
6 HG3 ARG 1 HG3 ARG 1 1.043 2.468 -2.687
7 HD2 ARG 1 HD2 ARG 1 0.885 1.066 -4.439
8 HD3 ARG 1 HD3 ARG 1 2.174 0.193 -3.612
9 HE ARG 1 HE ARG 1 -0.135 -0.831 -2.569
10 HH11 ARG 1 HH11 ARG 1 1.190 -0.480 -5.769
11 HH12 ARG 1 HH12 ARG 1 0.403 -1.892 -6.392
12 HH21 ARG 1 HH21 ARG 1 -1.177 -2.692 -3.377
13 HH22 ARG 1 HH22 ARG 1 -0.944 -3.149 -5.030
14 H LEU 2 H LEU 2 3.076 -1.412 -2.585
15 HA LEU 2 HA LEU 2 5.380 -2.370 -1.059
16 HB2 LEU 2 HB2 LEU 2 5.714 -3.957 -2.810
17 HB3 LEU 2 HB3 LEU 2 4.008 -3.966 -2.368
18 HG LEU 2 HG LEU 2 4.823 -2.274 -4.669
19 HD11 LEU 2 HD11 LEU 2 5.740 -3.926 -5.829
20 HD12 LEU 2 HD12 LEU 2 4.206 -4.790 -5.739
21 HD13 LEU 2 HD13 LEU 2 5.447 -5.070 -4.519
22 HD21 LEU 2 HD21 LEU 2 2.569 -2.126 -4.373
23 HD22 LEU 2 HD22 LEU 2 2.435 -3.752 -3.702
24 HD23 LEU 2 HD23 LEU 2 2.623 -3.528 -5.441
25 H PHE 3 H PHE 3 4.532 -0.017 -3.379
26 HA PHE 3 HA PHE 3 7.382 0.487 -3.928
27 HB2 PHE 3 HB2 PHE 3 4.997 0.640 -5.741
28 HB3 PHE 3 HB3 PHE 3 6.399 1.661 -6.045
29 HD1 PHE 3 HD1 PHE 3 4.941 -1.108 -7.218
30 HD2 PHE 3 HD2 PHE 3 8.679 0.061 -5.550
31 HE1 PHE 3 HE1 PHE 3 6.041 -2.973 -8.385
32 HE2 PHE 3 HE2 PHE 3 9.785 -1.803 -6.715
33 HZ PHE 3 HZ PHE 3 8.466 -3.324 -8.134
34 H ASP 4 H ASP 4 4.182 2.039 -3.781
35 HA ASP 4 HA ASP 4 5.000 4.684 -3.702
36 HB2 ASP 4 HB2 ASP 4 2.592 3.396 -3.546
37 HB3 ASP 4 HB3 ASP 4 2.742 4.062 -1.922
38 H LYS 5 H LYS 5 4.586 2.405 -1.016
39 HA LYS 5 HA LYS 5 5.045 4.087 1.122
40 HB2 LYS 5 HB2 LYS 5 5.759 1.192 0.692
41 HB3 LYS 5 HB3 LYS 5 6.055 2.006 2.223
42 HG2 LYS 5 HG2 LYS 5 3.371 1.700 0.890
43 HG3 LYS 5 HG3 LYS 5 3.967 0.744 2.249
44 HD2 LYS 5 HD2 LYS 5 4.278 3.476 2.926
45 HD3 LYS 5 HD3 LYS 5 2.648 3.272 2.282
46 HE2 LYS 5 HE2 LYS 5 2.272 1.425 3.851
47 HE3 LYS 5 HE3 LYS 5 3.896 1.650 4.499
48 HZ1 LYS 5 HZ1 LYS 5 3.260 3.888 5.183
49 HZ2 LYS 5 HZ2 LYS 5 2.261 2.724 5.895
50 HZ3 LYS 5 HZ3 LYS 5 1.694 3.641 4.592
51 H ILE 6 H ILE 6 7.320 2.787 -1.181
52 HA ILE 6 HA ILE 6 9.614 3.702 0.353
53 HB ILE 6 HB ILE 6 9.468 2.413 -2.375
54 HG12 ILE 6 HG12 ILE 6 10.662 0.564 -0.927
55 HG13 ILE 6 HG13 ILE 6 9.858 1.381 0.409
56 HG21 ILE 6 HG21 ILE 6 11.963 2.024 -1.843
57 HG22 ILE 6 HG22 ILE 6 11.458 3.608 -2.429
58 HG23 ILE 6 HG23 ILE 6 11.769 3.361 -0.711
59 HD11 ILE 6 HD11 ILE 6 8.677 -0.606 -0.649
60 HD12 ILE 6 HD12 ILE 6 7.734 0.865 -0.411
61 HD13 ILE 6 HD13 ILE 6 8.353 0.464 -2.012
62 H ARG 7 H ARG 7 7.728 4.636 -2.445
63 HA ARG 7 HA ARG 7 9.381 6.428 -3.711
64 HB2 ARG 7 HB2 ARG 7 6.530 5.959 -3.549
65 HB3 ARG 7 HB3 ARG 7 6.874 7.678 -3.688
66 HG2 ARG 7 HG2 ARG 7 6.615 6.913 -5.886
67 HG3 ARG 7 HG3 ARG 7 8.357 7.075 -5.654
68 HD2 ARG 7 HD2 ARG 7 7.480 4.451 -4.871
69 HD3 ARG 7 HD3 ARG 7 6.943 4.811 -6.511
70 HE ARG 7 HE ARG 7 9.633 4.346 -5.636
71 HH11 ARG 7 HH11 ARG 7 7.653 5.930 -8.022
72 HH12 ARG 7 HH12 ARG 7 8.900 5.961 -9.225
73 HH21 ARG 7 HH21 ARG 7 11.282 4.380 -7.211
74 HH22 ARG 7 HH22 ARG 7 10.963 5.078 -8.763
75 H GLN 8 H GLN 8 7.202 7.115 -0.979
76 HA GLN 8 HA GLN 8 7.737 9.807 -0.662
77 HB2 GLN 8 HB2 GLN 8 6.867 9.619 1.534
78 HB3 GLN 8 HB3 GLN 8 6.027 8.407 0.576
79 HG2 GLN 8 HG2 GLN 8 7.465 6.670 1.470
80 HG3 GLN 8 HG3 GLN 8 8.366 7.872 2.393
81 HE21 GLN 8 HE21 GLN 8 7.432 8.798 4.208
82 HE22 GLN 8 HE22 GLN 8 6.033 8.130 4.970
83 H VAL 9 H VAL 9 9.721 7.069 0.105
84 HA VAL 9 HA VAL 9 11.539 8.587 1.775
85 HB VAL 9 HB VAL 9 11.085 5.790 1.209
86 HG11 VAL 9 HG11 VAL 9 13.057 5.905 -0.173
87 HG12 VAL 9 HG12 VAL 9 13.942 6.749 1.098
88 HG13 VAL 9 HG13 VAL 9 13.450 5.071 1.330
89 HG21 VAL 9 HG21 VAL 9 12.693 7.213 3.329
90 HG22 VAL 9 HG22 VAL 9 10.980 6.805 3.424
91 HG23 VAL 9 HG23 VAL 9 12.190 5.523 3.379
92 H ILE 10 H ILE 10 11.303 7.513 -1.539
93 HA ILE 10 HA ILE 10 13.971 7.822 -2.330
94 HB ILE 10 HB ILE 10 11.506 8.317 -4.003
95 HG12 ILE 10 HG12 ILE 10 13.059 5.791 -3.416
96 HG13 ILE 10 HG13 ILE 10 11.371 6.116 -3.035
97 HG21 ILE 10 HG21 ILE 10 12.918 7.842 -5.906
98 HG22 ILE 10 HG22 ILE 10 13.605 9.171 -4.973
99 HG23 ILE 10 HG23 ILE 10 14.298 7.554 -4.846
100 HD11 ILE 10 HD11 ILE 10 10.893 6.218 -5.456
101 HD12 ILE 10 HD12 ILE 10 12.567 5.760 -5.770
102 HD13 ILE 10 HD13 ILE 10 11.493 4.648 -4.921
103 H ARG 11 H ARG 11 11.276 10.120 -2.790
104 HA ARG 11 HA ARG 11 11.226 12.385 -2.992
105 HB2 ARG 11 HB2 ARG 11 13.780 12.183 -1.386
106 HB3 ARG 11 HB3 ARG 11 12.896 13.674 -1.684
107 HG2 ARG 11 HG2 ARG 11 11.902 11.277 -0.156
108 HG3 ARG 11 HG3 ARG 11 12.391 12.833 0.518
109 HD2 ARG 11 HD2 ARG 11 10.070 12.338 -1.343
110 HD3 ARG 11 HD3 ARG 11 9.968 12.676 0.384
111 HE ARG 11 HE ARG 11 10.320 14.575 -1.722
112 HH11 ARG 11 HH11 ARG 11 11.005 13.918 1.627
113 HH12 ARG 11 HH12 ARG 11 11.140 15.589 2.063
114 HH21 ARG 11 HH21 ARG 11 10.495 16.779 -1.161
115 HH22 ARG 11 HH22 ARG 11 10.848 17.216 0.476
116 H LYS 12 H LYS 12 12.529 10.790 -5.046
117 HA LYS 12 HA LYS 12 14.018 12.950 -6.332
118 HB2 LYS 12 HB2 LYS 12 15.082 10.246 -5.679
119 HB3 LYS 12 HB3 LYS 12 15.522 10.944 -7.232
120 HG2 LYS 12 HG2 LYS 12 17.237 11.763 -6.019
121 HG3 LYS 12 HG3 LYS 12 16.066 13.036 -5.667
122 HD2 LYS 12 HD2 LYS 12 15.508 12.036 -3.568
123 HD3 LYS 12 HD3 LYS 12 16.452 10.592 -3.944
124 HE2 LYS 12 HE2 LYS 12 17.715 11.951 -2.426
125 HE3 LYS 12 HE3 LYS 12 18.490 12.017 -4.008
126 HZ1 LYS 12 HZ1 LYS 12 16.523 14.084 -3.383
127 HZ2 LYS 12 HZ2 LYS 12 17.948 14.187 -4.287
128 HZ3 LYS 12 HZ3 LYS 12 18.018 14.176 -2.597
Start of MODEL 13
1 H1 ARG 1 H ARG 1 2.080 0.079 1.019
2 HA ARG 1 HA ARG 1 1.396 -0.347 -1.683
3 HB2 ARG 1 HB2 ARG 1 2.299 2.350 -0.955
4 HB3 ARG 1 HB3 ARG 1 3.217 1.618 -2.264
5 HG2 ARG 1 HG2 ARG 1 0.217 1.748 -2.262
6 HG3 ARG 1 HG3 ARG 1 1.235 3.024 -2.933
7 HD2 ARG 1 HD2 ARG 1 0.986 1.817 -4.829
8 HD3 ARG 1 HD3 ARG 1 2.329 0.901 -4.147
9 HE ARG 1 HE ARG 1 -0.028 -0.224 -3.184
10 HH11 ARG 1 HH11 ARG 1 1.606 0.217 -6.227
11 HH12 ARG 1 HH12 ARG 1 0.940 -1.215 -6.940
12 HH21 ARG 1 HH21 ARG 1 -0.911 -2.111 -4.112
13 HH22 ARG 1 HH22 ARG 1 -0.492 -2.538 -5.737
14 H LEU 2 H LEU 2 3.263 -0.969 -2.997
15 HA LEU 2 HA LEU 2 5.354 -2.126 -1.313
16 HB2 LEU 2 HB2 LEU 2 5.632 -3.756 -2.903
17 HB3 LEU 2 HB3 LEU 2 3.915 -3.393 -3.069
18 HG LEU 2 HG LEU 2 6.075 -2.295 -4.866
19 HD11 LEU 2 HD11 LEU 2 4.375 -4.745 -5.033
20 HD12 LEU 2 HD12 LEU 2 6.082 -4.533 -5.421
21 HD13 LEU 2 HD13 LEU 2 4.846 -3.895 -6.505
22 HD21 LEU 2 HD21 LEU 2 3.847 -2.056 -6.280
23 HD22 LEU 2 HD22 LEU 2 4.377 -0.806 -5.155
24 HD23 LEU 2 HD23 LEU 2 3.132 -1.958 -4.671
25 H PHE 3 H PHE 3 4.849 0.406 -3.540
26 HA PHE 3 HA PHE 3 7.759 0.817 -3.746
27 HB2 PHE 3 HB2 PHE 3 5.607 1.199 -5.809
28 HB3 PHE 3 HB3 PHE 3 7.110 2.112 -5.899
29 HD1 PHE 3 HD1 PHE 3 5.583 -0.485 -7.356
30 HD2 PHE 3 HD2 PHE 3 9.189 0.316 -5.241
31 HE1 PHE 3 HE1 PHE 3 6.663 -2.387 -8.483
32 HE2 PHE 3 HE2 PHE 3 10.274 -1.584 -6.366
33 HZ PHE 3 HZ PHE 3 9.012 -2.938 -7.990
34 H ASP 4 H ASP 4 4.590 2.413 -3.729
35 HA ASP 4 HA ASP 4 5.444 5.048 -3.491
36 HB2 ASP 4 HB2 ASP 4 3.004 3.756 -3.510
37 HB3 ASP 4 HB3 ASP 4 3.067 4.452 -1.893
38 H LYS 5 H LYS 5 4.742 2.683 -0.935
39 HA LYS 5 HA LYS 5 5.122 4.267 1.291
40 HB2 LYS 5 HB2 LYS 5 5.857 1.363 0.888
41 HB3 LYS 5 HB3 LYS 5 5.807 2.162 2.454
42 HG2 LYS 5 HG2 LYS 5 3.466 1.842 0.587
43 HG3 LYS 5 HG3 LYS 5 3.787 0.852 2.012
44 HD2 LYS 5 HD2 LYS 5 3.309 3.833 2.010
45 HD3 LYS 5 HD3 LYS 5 2.131 2.602 2.473
46 HE2 LYS 5 HE2 LYS 5 3.776 1.848 4.223
47 HE3 LYS 5 HE3 LYS 5 4.726 3.283 3.843
48 HZ1 LYS 5 HZ1 LYS 5 2.567 4.540 4.300
49 HZ2 LYS 5 HZ2 LYS 5 3.417 3.929 5.628
50 HZ3 LYS 5 HZ3 LYS 5 2.042 3.123 5.061
51 H ILE 6 H ILE 6 7.494 2.926 -0.886
52 HA ILE 6 HA ILE 6 9.710 3.666 0.846
53 HB ILE 6 HB ILE 6 9.705 2.470 -1.927
54 HG12 ILE 6 HG12 ILE 6 10.694 0.519 -0.459
55 HG13 ILE 6 HG13 ILE 6 9.834 1.337 0.841
56 HG21 ILE 6 HG21 ILE 6 11.839 3.081 -2.031
57 HG22 ILE 6 HG22 ILE 6 11.808 3.681 -0.373
58 HG23 ILE 6 HG23 ILE 6 12.153 1.981 -0.689
59 HD11 ILE 6 HD11 ILE 6 7.753 0.958 -0.149
60 HD12 ILE 6 HD12 ILE 6 8.471 0.568 -1.713
61 HD13 ILE 6 HD13 ILE 6 8.637 -0.553 -0.362
62 H ARG 7 H ARG 7 8.131 4.754 -2.094
63 HA ARG 7 HA ARG 7 9.968 6.512 -3.132
64 HB2 ARG 7 HB2 ARG 7 7.125 6.115 -3.314
65 HB3 ARG 7 HB3 ARG 7 7.482 7.837 -3.281
66 HG2 ARG 7 HG2 ARG 7 7.483 7.278 -5.543
67 HG3 ARG 7 HG3 ARG 7 9.192 7.343 -5.107
68 HD2 ARG 7 HD2 ARG 7 9.495 5.158 -5.508
69 HD3 ARG 7 HD3 ARG 7 7.976 4.712 -4.732
70 HE ARG 7 HE ARG 7 7.163 5.810 -7.059
71 HH11 ARG 7 HH11 ARG 7 9.495 3.344 -6.283
72 HH12 ARG 7 HH12 ARG 7 9.275 2.485 -7.771
73 HH21 ARG 7 HH21 ARG 7 6.865 4.688 -9.022
74 HH22 ARG 7 HH22 ARG 7 7.780 3.251 -9.329
75 H GLN 8 H GLN 8 7.556 7.209 -0.607
76 HA GLN 8 HA GLN 8 8.148 9.870 -0.159
77 HB2 GLN 8 HB2 GLN 8 7.061 9.657 1.933
78 HB3 GLN 8 HB3 GLN 8 6.285 8.491 0.869
79 HG2 GLN 8 HG2 GLN 8 7.605 6.697 1.852
80 HG3 GLN 8 HG3 GLN 8 8.410 7.860 2.905
81 HE21 GLN 8 HE21 GLN 8 7.478 6.137 4.413
82 HE22 GLN 8 HE22 GLN 8 5.922 6.482 5.078
83 H VAL 9 H VAL 9 9.963 7.046 0.703
84 HA VAL 9 HA VAL 9 11.663 8.458 2.580
85 HB VAL 9 HB VAL 9 11.163 5.694 1.910
86 HG11 VAL 9 HG11 VAL 9 14.052 6.542 2.080
87 HG12 VAL 9 HG12 VAL 9 13.479 4.879 2.223
88 HG13 VAL 9 HG13 VAL 9 13.257 5.763 0.713
89 HG21 VAL 9 HG21 VAL 9 10.928 6.749 4.131
90 HG22 VAL 9 HG22 VAL 9 11.969 5.326 4.160
91 HG23 VAL 9 HG23 VAL 9 12.680 6.939 4.201
92 H ILE 10 H ILE 10 11.705 7.461 -0.767
93 HA ILE 10 HA ILE 10 14.450 7.701 -1.286
94 HB ILE 10 HB ILE 10 12.181 8.283 -3.193
95 HG12 ILE 10 HG12 ILE 10 13.588 5.697 -2.502
96 HG13 ILE 10 HG13 ILE 10 11.890 6.080 -2.238
97 HG21 ILE 10 HG21 ILE 10 14.553 7.087 -4.321
98 HG22 ILE 10 HG22 ILE 10 13.702 8.558 -4.791
99 HG23 ILE 10 HG23 ILE 10 14.923 8.614 -3.520
100 HD11 ILE 10 HD11 ILE 10 13.268 5.170 -4.655
101 HD12 ILE 10 HD12 ILE 10 11.595 4.950 -4.143
102 HD13 ILE 10 HD13 ILE 10 12.092 6.460 -4.907
103 H ARG 11 H ARG 11 11.881 10.064 -2.044
104 HA ARG 11 HA ARG 11 11.905 12.331 -2.223
105 HB2 ARG 11 HB2 ARG 11 14.258 12.087 -0.339
106 HB3 ARG 11 HB3 ARG 11 13.399 13.578 -0.703
107 HG2 ARG 11 HG2 ARG 11 12.320 11.154 0.714
108 HG3 ARG 11 HG3 ARG 11 12.629 12.751 1.398
109 HD2 ARG 11 HD2 ARG 11 10.556 12.022 -0.665
110 HD3 ARG 11 HD3 ARG 11 10.268 12.508 1.005
111 HE ARG 11 HE ARG 11 11.682 14.457 -0.582
112 HH11 ARG 11 HH11 ARG 11 8.575 13.282 0.458
113 HH12 ARG 11 HH12 ARG 11 7.764 14.786 0.172
114 HH21 ARG 11 HH21 ARG 11 10.627 16.443 -0.963
115 HH22 ARG 11 HH22 ARG 11 8.932 16.583 -0.637
116 H LYS 12 H LYS 12 13.736 10.528 -3.884
117 HA LYS 12 HA LYS 12 15.337 10.720 -5.500
118 HB2 LYS 12 HB2 LYS 12 13.530 12.936 -5.695
119 HB3 LYS 12 HB3 LYS 12 15.137 13.465 -6.177
120 HG2 LYS 12 HG2 LYS 12 14.304 12.741 -8.177
121 HG3 LYS 12 HG3 LYS 12 15.101 11.273 -7.606
122 HD2 LYS 12 HD2 LYS 12 12.738 10.817 -6.529
123 HD3 LYS 12 HD3 LYS 12 12.197 11.911 -7.804
124 HE2 LYS 12 HE2 LYS 12 13.404 10.464 -9.445
125 HE3 LYS 12 HE3 LYS 12 13.717 9.329 -8.133
126 HZ1 LYS 12 HZ1 LYS 12 11.581 8.640 -8.094
127 HZ2 LYS 12 HZ2 LYS 12 11.613 9.138 -9.710
128 HZ3 LYS 12 HZ3 LYS 12 10.949 10.148 -8.527
Start of MODEL 14
1 H1 ARG 1 H ARG 1 1.989 -0.037 1.068
2 HA ARG 1 HA ARG 1 1.634 -0.670 -1.729
3 HB2 ARG 1 HB2 ARG 1 2.044 2.081 -0.791
4 HB3 ARG 1 HB3 ARG 1 3.197 1.566 -2.015
5 HG2 ARG 1 HG2 ARG 1 0.222 1.292 -2.342
6 HG3 ARG 1 HG3 ARG 1 1.133 2.708 -2.870
7 HD2 ARG 1 HD2 ARG 1 1.381 1.607 -4.802
8 HD3 ARG 1 HD3 ARG 1 2.583 0.648 -3.939
9 HE ARG 1 HE ARG 1 0.087 -0.505 -3.482
10 HH11 ARG 1 HH11 ARG 1 2.267 0.064 -6.136
11 HH12 ARG 1 HH12 ARG 1 1.751 -1.329 -7.028
12 HH21 ARG 1 HH21 ARG 1 -0.601 -2.341 -4.647
13 HH22 ARG 1 HH22 ARG 1 0.119 -2.695 -6.181
14 H LEU 2 H LEU 2 3.487 -1.451 -2.684
15 HA LEU 2 HA LEU 2 5.707 -1.961 -0.850
16 HB2 LEU 2 HB2 LEU 2 6.191 -3.838 -2.075
17 HB3 LEU 2 HB3 LEU 2 4.443 -3.733 -2.274
18 HG LEU 2 HG LEU 2 6.463 -2.784 -4.305
19 HD11 LEU 2 HD11 LEU 2 6.747 -5.001 -4.597
20 HD12 LEU 2 HD12 LEU 2 5.225 -4.859 -5.475
21 HD13 LEU 2 HD13 LEU 2 5.229 -5.414 -3.801
22 HD21 LEU 2 HD21 LEU 2 4.525 -1.563 -4.694
23 HD22 LEU 2 HD22 LEU 2 3.470 -2.894 -4.217
24 HD23 LEU 2 HD23 LEU 2 4.336 -2.960 -5.753
25 H PHE 3 H PHE 3 4.951 0.369 -2.966
26 HA PHE 3 HA PHE 3 7.771 0.836 -3.648
27 HB2 PHE 3 HB2 PHE 3 5.388 0.937 -5.471
28 HB3 PHE 3 HB3 PHE 3 6.789 1.954 -5.787
29 HD1 PHE 3 HD1 PHE 3 5.314 -0.936 -6.773
30 HD2 PHE 3 HD2 PHE 3 9.092 0.465 -5.400
31 HE1 PHE 3 HE1 PHE 3 6.420 -2.822 -7.902
32 HE2 PHE 3 HE2 PHE 3 10.204 -1.418 -6.528
33 HZ PHE 3 HZ PHE 3 8.868 -3.065 -7.780
34 H ASP 4 H ASP 4 4.555 2.374 -3.650
35 HA ASP 4 HA ASP 4 5.353 5.017 -3.551
36 HB2 ASP 4 HB2 ASP 4 2.928 3.553 -3.128
37 HB3 ASP 4 HB3 ASP 4 3.078 4.779 -1.872
38 H LYS 5 H LYS 5 4.729 2.828 -0.818
39 HA LYS 5 HA LYS 5 5.216 4.593 1.263
40 HB2 LYS 5 HB2 LYS 5 5.934 1.656 1.193
41 HB3 LYS 5 HB3 LYS 5 5.682 2.632 2.634
42 HG2 LYS 5 HG2 LYS 5 3.594 1.967 0.568
43 HG3 LYS 5 HG3 LYS 5 3.754 1.228 2.163
44 HD2 LYS 5 HD2 LYS 5 3.261 3.310 3.245
45 HD3 LYS 5 HD3 LYS 5 3.313 4.176 1.708
46 HE2 LYS 5 HE2 LYS 5 1.120 3.849 1.544
47 HE3 LYS 5 HE3 LYS 5 1.455 2.132 1.328
48 HZ1 LYS 5 HZ1 LYS 5 1.203 1.763 3.650
49 HZ2 LYS 5 HZ2 LYS 5 -0.144 2.647 3.137
50 HZ3 LYS 5 HZ3 LYS 5 1.104 3.419 3.978
51 H ILE 6 H ILE 6 7.444 3.050 -0.904
52 HA ILE 6 HA ILE 6 9.755 3.732 0.725
53 HB ILE 6 HB ILE 6 9.599 2.466 -2.013
54 HG12 ILE 6 HG12 ILE 6 10.532 0.503 -0.517
55 HG13 ILE 6 HG13 ILE 6 9.739 1.395 0.778
56 HG21 ILE 6 HG21 ILE 6 11.944 2.945 -0.183
57 HG22 ILE 6 HG22 ILE 6 11.982 1.882 -1.589
58 HG23 ILE 6 HG23 ILE 6 11.693 3.609 -1.797
59 HD11 ILE 6 HD11 ILE 6 8.288 0.629 -1.728
60 HD12 ILE 6 HD12 ILE 6 8.426 -0.463 -0.349
61 HD13 ILE 6 HD13 ILE 6 7.623 1.096 -0.162
62 H ARG 7 H ARG 7 8.141 4.792 -2.211
63 HA ARG 7 HA ARG 7 10.025 6.443 -3.341
64 HB2 ARG 7 HB2 ARG 7 7.165 6.150 -3.459
65 HB3 ARG 7 HB3 ARG 7 7.590 7.855 -3.499
66 HG2 ARG 7 HG2 ARG 7 7.536 7.225 -5.737
67 HG3 ARG 7 HG3 ARG 7 9.253 7.210 -5.331
68 HD2 ARG 7 HD2 ARG 7 9.428 5.005 -5.678
69 HD3 ARG 7 HD3 ARG 7 7.917 4.664 -4.835
70 HE ARG 7 HE ARG 7 6.905 4.513 -6.867
71 HH11 ARG 7 HH11 ARG 7 9.781 6.443 -7.214
72 HH12 ARG 7 HH12 ARG 7 9.620 6.609 -8.931
73 HH21 ARG 7 HH21 ARG 7 6.682 4.724 -9.127
74 HH22 ARG 7 HH22 ARG 7 7.856 5.631 -10.018
75 H GLN 8 H GLN 8 7.682 7.317 -0.806
76 HA GLN 8 HA GLN 8 8.383 9.966 -0.458
77 HB2 GLN 8 HB2 GLN 8 7.315 9.869 1.650
78 HB3 GLN 8 HB3 GLN 8 6.482 8.694 0.641
79 HG2 GLN 8 HG2 GLN 8 7.743 6.890 1.675
80 HG3 GLN 8 HG3 GLN 8 8.614 8.058 2.668
81 HE21 GLN 8 HE21 GLN 8 5.406 6.786 1.958
82 HE22 GLN 8 HE22 GLN 8 4.742 7.082 3.525
83 H VAL 9 H VAL 9 10.089 7.100 0.495
84 HA VAL 9 HA VAL 9 11.856 8.476 2.322
85 HB VAL 9 HB VAL 9 11.294 5.725 1.641
86 HG11 VAL 9 HG11 VAL 9 13.379 5.754 0.434
87 HG12 VAL 9 HG12 VAL 9 14.200 6.516 1.798
88 HG13 VAL 9 HG13 VAL 9 13.595 4.864 1.940
89 HG21 VAL 9 HG21 VAL 9 12.141 5.334 3.885
90 HG22 VAL 9 HG22 VAL 9 12.826 6.958 3.930
91 HG23 VAL 9 HG23 VAL 9 11.077 6.741 3.869
92 H ILE 10 H ILE 10 11.857 7.465 -1.025
93 HA ILE 10 HA ILE 10 14.604 7.676 -1.558
94 HB ILE 10 HB ILE 10 12.370 8.294 -3.492
95 HG12 ILE 10 HG12 ILE 10 13.600 5.644 -2.708
96 HG13 ILE 10 HG13 ILE 10 11.930 6.144 -2.464
97 HG21 ILE 10 HG21 ILE 10 13.950 7.602 -5.196
98 HG22 ILE 10 HG22 ILE 10 14.629 8.914 -4.235
99 HG23 ILE 10 HG23 ILE 10 15.161 7.254 -3.963
100 HD11 ILE 10 HD11 ILE 10 13.297 5.211 -4.917
101 HD12 ILE 10 HD12 ILE 10 11.674 4.867 -4.317
102 HD13 ILE 10 HD13 ILE 10 12.018 6.413 -5.092
103 H ARG 11 H ARG 11 12.023 10.056 -2.213
104 HA ARG 11 HA ARG 11 12.056 12.322 -2.403
105 HB2 ARG 11 HB2 ARG 11 14.519 12.073 -0.667
106 HB3 ARG 11 HB3 ARG 11 13.631 13.560 -0.970
107 HG2 ARG 11 HG2 ARG 11 12.639 11.123 0.490
108 HG3 ARG 11 HG3 ARG 11 13.015 12.704 1.179
109 HD2 ARG 11 HD2 ARG 11 10.836 12.119 -0.824
110 HD3 ARG 11 HD3 ARG 11 10.603 12.389 0.903
111 HE ARG 11 HE ARG 11 11.068 14.383 -1.120
112 HH11 ARG 11 HH11 ARG 11 11.259 13.629 2.273
113 HH12 ARG 11 HH12 ARG 11 11.197 15.285 2.778
114 HH21 ARG 11 HH21 ARG 11 10.986 16.567 -0.468
115 HH22 ARG 11 HH22 ARG 11 11.040 16.955 1.218
116 H LYS 12 H LYS 12 13.491 10.655 -4.347
117 HA LYS 12 HA LYS 12 15.926 11.653 -5.175
118 HB2 LYS 12 HB2 LYS 12 15.564 10.558 -7.173
119 HB3 LYS 12 HB3 LYS 12 14.406 9.740 -6.131
120 HG2 LYS 12 HG2 LYS 12 13.805 11.956 -8.079
121 HG3 LYS 12 HG3 LYS 12 13.399 10.248 -8.264
122 HD2 LYS 12 HD2 LYS 12 12.390 12.013 -6.035
123 HD3 LYS 12 HD3 LYS 12 11.492 11.659 -7.513
124 HE2 LYS 12 HE2 LYS 12 11.415 9.323 -6.975
125 HE3 LYS 12 HE3 LYS 12 12.497 9.555 -5.603
126 HZ1 LYS 12 HZ1 LYS 12 10.671 9.783 -4.387
127 HZ2 LYS 12 HZ2 LYS 12 9.669 9.878 -5.746
128 HZ3 LYS 12 HZ3 LYS 12 10.417 11.273 -5.147
Start of MODEL 15
1 H1 ARG 1 H ARG 1 2.175 0.140 1.234
2 HA ARG 1 HA ARG 1 1.558 -0.523 -1.520
3 HB2 ARG 1 HB2 ARG 1 2.399 2.159 -0.668
4 HB3 ARG 1 HB3 ARG 1 3.384 1.475 -1.954
5 HG2 ARG 1 HG2 ARG 1 0.410 1.411 -2.179
6 HG3 ARG 1 HG3 ARG 1 1.291 2.899 -2.530
7 HD2 ARG 1 HD2 ARG 1 2.770 1.291 -3.991
8 HD3 ARG 1 HD3 ARG 1 1.325 0.283 -3.957
9 HE ARG 1 HE ARG 1 1.708 2.659 -5.469
10 HH11 ARG 1 HH11 ARG 1 -0.692 0.824 -3.740
11 HH12 ARG 1 HH12 ARG 1 -2.018 1.427 -4.677
12 HH21 ARG 1 HH21 ARG 1 -0.030 3.461 -6.711
13 HH22 ARG 1 HH22 ARG 1 -1.640 2.926 -6.368
14 H LEU 2 H LEU 2 3.389 -1.273 -2.706
15 HA LEU 2 HA LEU 2 5.479 -2.330 -0.962
16 HB2 LEU 2 HB2 LEU 2 5.952 -3.894 -2.701
17 HB3 LEU 2 HB3 LEU 2 4.207 -3.843 -2.456
18 HG LEU 2 HG LEU 2 5.287 -2.109 -4.595
19 HD11 LEU 2 HD11 LEU 2 5.513 -3.900 -6.181
20 HD12 LEU 2 HD12 LEU 2 5.098 -5.095 -4.952
21 HD13 LEU 2 HD13 LEU 2 6.607 -4.191 -4.829
22 HD21 LEU 2 HD21 LEU 2 3.217 -3.512 -5.618
23 HD22 LEU 2 HD22 LEU 2 3.041 -2.008 -4.715
24 HD23 LEU 2 HD23 LEU 2 2.822 -3.557 -3.900
25 H PHE 3 H PHE 3 4.987 0.030 -3.410
26 HA PHE 3 HA PHE 3 7.896 0.477 -3.560
27 HB2 PHE 3 HB2 PHE 3 5.786 0.579 -5.668
28 HB3 PHE 3 HB3 PHE 3 7.135 1.704 -5.784
29 HD1 PHE 3 HD1 PHE 3 5.999 -1.606 -6.423
30 HD2 PHE 3 HD2 PHE 3 9.494 0.724 -5.734
31 HE1 PHE 3 HE1 PHE 3 7.374 -3.371 -7.447
32 HE2 PHE 3 HE2 PHE 3 10.874 -1.036 -6.757
33 HZ PHE 3 HZ PHE 3 9.814 -3.087 -7.616
34 H ASP 4 H ASP 4 4.710 2.025 -3.619
35 HA ASP 4 HA ASP 4 5.540 4.685 -3.537
36 HB2 ASP 4 HB2 ASP 4 3.142 3.540 -3.708
37 HB3 ASP 4 HB3 ASP 4 3.122 3.898 -1.983
38 H LYS 5 H LYS 5 4.952 2.401 -0.896
39 HA LYS 5 HA LYS 5 5.240 4.104 1.269
40 HB2 LYS 5 HB2 LYS 5 5.958 1.198 0.921
41 HB3 LYS 5 HB3 LYS 5 6.118 2.024 2.465
42 HG2 LYS 5 HG2 LYS 5 3.566 1.717 0.895
43 HG3 LYS 5 HG3 LYS 5 4.028 0.777 2.316
44 HD2 LYS 5 HD2 LYS 5 4.303 3.490 3.021
45 HD3 LYS 5 HD3 LYS 5 2.760 3.344 2.176
46 HE2 LYS 5 HE2 LYS 5 3.330 1.228 4.141
47 HE3 LYS 5 HE3 LYS 5 3.116 2.843 4.815
48 HZ1 LYS 5 HZ1 LYS 5 1.166 1.060 3.724
49 HZ2 LYS 5 HZ2 LYS 5 1.082 2.593 3.016
50 HZ3 LYS 5 HZ3 LYS 5 0.949 2.429 4.694
51 H ILE 6 H ILE 6 7.674 2.721 -0.822
52 HA ILE 6 HA ILE 6 9.848 3.648 0.872
53 HB ILE 6 HB ILE 6 9.909 2.282 -1.820
54 HG12 ILE 6 HG12 ILE 6 10.950 0.461 -0.222
55 HG13 ILE 6 HG13 ILE 6 10.043 1.327 1.013
56 HG21 ILE 6 HG21 ILE 6 12.362 1.902 -0.678
57 HG22 ILE 6 HG22 ILE 6 11.990 3.101 -1.916
58 HG23 ILE 6 HG23 ILE 6 11.987 3.561 -0.213
59 HD11 ILE 6 HD11 ILE 6 8.930 -0.676 -0.083
60 HD12 ILE 6 HD12 ILE 6 7.992 0.814 0.019
61 HD13 ILE 6 HD13 ILE 6 8.747 0.350 -1.505
62 H ARG 7 H ARG 7 8.295 4.461 -2.178
63 HA ARG 7 HA ARG 7 10.084 6.237 -3.273
64 HB2 ARG 7 HB2 ARG 7 7.264 5.691 -3.516
65 HB3 ARG 7 HB3 ARG 7 7.556 7.422 -3.624
66 HG2 ARG 7 HG2 ARG 7 7.670 6.683 -5.826
67 HG3 ARG 7 HG3 ARG 7 9.359 6.825 -5.336
68 HD2 ARG 7 HD2 ARG 7 9.655 4.535 -5.223
69 HD3 ARG 7 HD3 ARG 7 7.934 4.221 -5.006
70 HE ARG 7 HE ARG 7 7.673 4.216 -7.289
71 HH11 ARG 7 HH11 ARG 7 10.809 5.488 -6.474
72 HH12 ARG 7 HH12 ARG 7 11.382 5.479 -8.109
73 HH21 ARG 7 HH21 ARG 7 8.415 4.199 -9.445
74 HH22 ARG 7 HH22 ARG 7 10.019 4.747 -9.799
75 H GLN 8 H GLN 8 7.537 6.978 -0.897
76 HA GLN 8 HA GLN 8 7.976 9.691 -0.618
77 HB2 GLN 8 HB2 GLN 8 6.801 9.570 1.428
78 HB3 GLN 8 HB3 GLN 8 6.145 8.275 0.435
79 HG2 GLN 8 HG2 GLN 8 7.526 6.654 1.616
80 HG3 GLN 8 HG3 GLN 8 8.208 7.947 2.601
81 HE21 GLN 8 HE21 GLN 8 7.280 6.216 4.157
82 HE22 GLN 8 HE22 GLN 8 5.688 6.541 4.744
83 H VAL 9 H VAL 9 9.885 7.030 0.524
84 HA VAL 9 HA VAL 9 11.418 8.625 2.385
85 HB VAL 9 HB VAL 9 11.143 5.813 1.786
86 HG11 VAL 9 HG11 VAL 9 13.954 6.872 2.052
87 HG12 VAL 9 HG12 VAL 9 13.495 5.178 2.228
88 HG13 VAL 9 HG13 VAL 9 13.279 5.995 0.680
89 HG21 VAL 9 HG21 VAL 9 10.720 6.877 3.958
90 HG22 VAL 9 HG22 VAL 9 11.909 5.580 4.084
91 HG23 VAL 9 HG23 VAL 9 12.435 7.263 4.095
92 H ILE 10 H ILE 10 11.688 7.507 -0.917
93 HA ILE 10 HA ILE 10 14.431 7.960 -1.315
94 HB ILE 10 HB ILE 10 12.264 8.284 -3.391
95 HG12 ILE 10 HG12 ILE 10 13.673 5.792 -2.415
96 HG13 ILE 10 HG13 ILE 10 11.954 6.149 -2.290
97 HG21 ILE 10 HG21 ILE 10 14.505 9.074 -4.032
98 HG22 ILE 10 HG22 ILE 10 15.157 7.479 -3.661
99 HG23 ILE 10 HG23 ILE 10 13.995 7.672 -4.973
100 HD11 ILE 10 HD11 ILE 10 13.544 5.239 -4.614
101 HD12 ILE 10 HD12 ILE 10 11.923 4.777 -4.092
102 HD13 ILE 10 HD13 ILE 10 12.179 6.313 -4.920
103 H ARG 11 H ARG 11 11.677 10.045 -2.219
104 HA ARG 11 HA ARG 11 11.501 12.294 -2.504
105 HB2 ARG 11 HB2 ARG 11 13.878 12.361 -0.636
106 HB3 ARG 11 HB3 ARG 11 12.864 13.738 -1.049
107 HG2 ARG 11 HG2 ARG 11 12.045 11.272 0.469
108 HG3 ARG 11 HG3 ARG 11 12.219 12.911 1.101
109 HD2 ARG 11 HD2 ARG 11 10.215 11.994 -0.959
110 HD3 ARG 11 HD3 ARG 11 9.874 12.364 0.731
111 HE ARG 11 HE ARG 11 10.257 14.243 -1.419
112 HH11 ARG 11 HH11 ARG 11 10.307 13.755 2.027
113 HH12 ARG 11 HH12 ARG 11 10.051 15.428 2.399
114 HH21 ARG 11 HH21 ARG 11 9.920 16.448 -0.942
115 HH22 ARG 11 HH22 ARG 11 9.830 16.959 0.709
116 H LYS 12 H LYS 12 13.344 10.631 -4.192
117 HA LYS 12 HA LYS 12 15.658 11.878 -4.960
118 HB2 LYS 12 HB2 LYS 12 15.040 11.042 -7.319
119 HB3 LYS 12 HB3 LYS 12 15.196 9.853 -6.032
120 HG2 LYS 12 HG2 LYS 12 13.262 9.352 -7.370
121 HG3 LYS 12 HG3 LYS 12 12.748 9.863 -5.760
122 HD2 LYS 12 HD2 LYS 12 11.785 11.767 -6.527
123 HD3 LYS 12 HD3 LYS 12 12.985 11.988 -7.802
124 HE2 LYS 12 HE2 LYS 12 10.796 9.914 -7.848
125 HE3 LYS 12 HE3 LYS 12 10.700 11.484 -8.644
126 HZ1 LYS 12 HZ1 LYS 12 12.215 9.115 -9.389
127 HZ2 LYS 12 HZ2 LYS 12 12.992 10.598 -9.630
128 HZ3 LYS 12 HZ3 LYS 12 11.500 10.296 -10.367