NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8322 |
1m23   |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 1H TYR 1 5.666 -0.418 5.678
2 2H TYR 1 2H TYR 1 6.060 0.514 7.041
3 3H TYR 1 3H TYR 1 4.558 0.725 6.275
4 HA TYR 1 HA TYR 1 5.455 1.888 4.503
5 1HB TYR 1 1HB TYR 1 6.150 2.502 7.148
6 2HB TYR 1 2HB TYR 1 7.614 2.788 6.211
7 HD1 TYR 1 HD1 TYR 1 6.335 3.361 3.570
8 HD2 TYR 1 HD2 TYR 1 5.466 4.831 7.505
9 HE1 TYR 1 HE1 TYR 1 5.388 5.407 2.576
10 HE2 TYR 1 HE2 TYR 1 4.514 6.899 6.518
11 HH TYR 1 HH TYR 1 3.404 7.417 4.043
12 H LEU 2 H LEU 2 7.993 0.267 6.295
13 HA LEU 2 HA LEU 2 10.210 0.598 4.738
14 1HB LEU 2 1HB LEU 2 9.112 -1.666 6.286
15 2HB LEU 2 2HB LEU 2 10.686 -1.819 5.494
16 HG LEU 2 HG LEU 2 10.825 0.684 6.581
17 1HD1 LEU 2 1HD1 LEU 2 9.082 -1.058 8.294
18 2HD1 LEU 2 2HD1 LEU 2 10.151 0.131 9.037
19 3HD1 LEU 2 3HD1 LEU 2 8.908 0.653 7.902
20 1HD2 LEU 2 1HD2 LEU 2 12.315 -1.523 6.679
21 2HD2 LEU 2 2HD2 LEU 2 12.558 -0.210 7.830
22 3HD2 LEU 2 3HD2 LEU 2 11.627 -1.633 8.299
23 H ARG 3 H ARG 3 7.331 -0.920 3.704
24 HA ARG 3 HA ARG 3 8.234 -2.776 1.819
25 1HB ARG 3 1HB ARG 3 5.906 -0.995 2.273
26 2HB ARG 3 2HB ARG 3 6.076 -1.588 0.625
27 1HG ARG 3 1HG ARG 3 5.626 -3.147 3.165
28 2HG ARG 3 2HG ARG 3 4.741 -3.240 1.645
29 1HD ARG 3 1HD ARG 3 6.010 -5.147 1.379
30 2HD ARG 3 2HD ARG 3 7.228 -3.989 0.806
31 HE ARG 3 HE ARG 3 8.229 -4.008 3.046
32 1HH1 ARG 3 1HH2 ARG 3 7.536 -6.955 2.123
33 2HH1 ARG 3 2HH2 ARG 3 7.062 -7.615 3.652
34 1HH2 ARG 3 1HH1 ARG 3 6.795 -4.522 5.201
35 2HH2 ARG 3 2HH1 ARG 3 6.644 -6.237 5.397
36 H ARG 4 H ARG 4 7.703 0.701 1.414
37 HA ARG 4 HA ARG 4 9.120 0.604 -1.145
38 1HB ARG 4 1HB ARG 4 8.317 2.975 -1.292
39 2HB ARG 4 2HB ARG 4 7.009 1.820 -1.028
40 1HG ARG 4 1HG ARG 4 6.445 2.928 0.842
41 2HG ARG 4 2HG ARG 4 8.015 2.513 1.527
42 1HD ARG 4 1HD ARG 4 8.351 4.670 -0.360
43 2HD ARG 4 2HD ARG 4 7.108 5.101 0.831
44 HE ARG 4 HE ARG 4 9.302 3.818 2.167
45 1HH1 ARG 4 1HH1 ARG 4 10.906 5.655 0.511
46 2HH1 ARG 4 2HH1 ARG 4 10.891 7.125 1.428
47 1HH2 ARG 4 1HH2 ARG 4 8.190 6.184 3.391
48 2HH2 ARG 4 2HH2 ARG 4 9.352 7.424 3.058
49 H PHE 5 H PHE 5 9.743 1.320 2.126
50 HA PHE 5 HA PHE 5 11.888 3.190 1.644
51 1HB PHE 5 1HB PHE 5 11.046 3.599 3.691
52 2HB PHE 5 2HB PHE 5 10.264 2.049 3.755
53 HD1 PHE 5 HD1 PHE 5 12.716 4.021 5.289
54 HD2 PHE 5 HD2 PHE 5 11.969 -0.007 3.996
55 HE1 PHE 5 HE1 PHE 5 14.421 3.195 6.894
56 HE2 PHE 5 HE2 PHE 5 13.678 -0.837 5.607
57 HZ PHE 5 HZ PHE 5 14.901 0.765 7.053
58 H PHE 6 H PHE 6 11.423 -0.179 1.602
59 HA PHE 6 HA PHE 6 14.220 -0.855 2.232
60 1HB PHE 6 1HB PHE 6 12.045 -2.032 2.960
61 2HB PHE 6 2HB PHE 6 12.034 -2.672 1.327
62 HD1 PHE 6 HD1 PHE 6 12.165 -4.672 3.338
63 HD2 PHE 6 HD2 PHE 6 15.371 -2.272 1.779
64 HE1 PHE 6 HE1 PHE 6 13.796 -6.419 3.998
65 HE2 PHE 6 HE2 PHE 6 17.000 -4.020 2.441
66 HZ PHE 6 HZ PHE 6 16.212 -6.094 3.548
67 H LYS 7 H LYS 7 11.971 -1.789 -0.384
68 HA LYS 7 HA LYS 7 13.866 -2.575 -2.278
69 1HB LYS 7 1HB LYS 7 11.396 -2.851 -2.365
70 2HB LYS 7 2HB LYS 7 11.278 -1.134 -2.730
71 1HG LYS 7 1HG LYS 7 13.141 -2.004 -4.569
72 2HG LYS 7 2HG LYS 7 12.008 -3.354 -4.491
73 1HD LYS 7 1HD LYS 7 10.340 -1.141 -4.523
74 2HD LYS 7 2HD LYS 7 11.636 -0.678 -5.626
75 1HE LYS 7 1HE LYS 7 10.000 -1.846 -6.960
76 2HE LYS 7 2HE LYS 7 11.335 -2.990 -6.712
77 1HZ LYS 7 1HZ LYS 7 9.855 -3.330 -4.484
78 2HZ LYS 7 2HZ LYS 7 8.651 -3.049 -5.646
79 3HZ LYS 7 3HZ LYS 7 9.759 -4.318 -5.863
80 H ALA 8 H ALA 8 12.785 0.658 -1.379
81 HA ALA 8 HA ALA 8 13.856 2.101 -3.566
82 1HB ALA 8 1HB ALA 8 13.095 2.640 -0.715
83 2HB ALA 8 2HB ALA 8 13.936 3.899 -1.619
84 3HB ALA 8 3HB ALA 8 12.385 3.289 -2.194
85 H LYS 9 H LYS 9 15.289 2.851 -0.473
86 HA LYS 9 HA LYS 9 17.802 3.462 -1.126
87 1HB LYS 9 1HB LYS 9 16.466 2.143 1.132
88 2HB LYS 9 2HB LYS 9 18.208 1.852 1.090
89 1HG LYS 9 1HG LYS 9 18.508 3.903 1.972
90 2HG LYS 9 2HG LYS 9 17.871 4.587 0.476
91 1HD LYS 9 1HD LYS 9 16.504 5.466 2.229
92 2HD LYS 9 2HD LYS 9 15.543 4.210 1.448
93 1HE LYS 9 1HE LYS 9 15.357 3.892 3.852
94 2HE LYS 9 2HE LYS 9 16.397 2.597 3.229
95 1HZ LYS 9 1HZ LYS 9 17.792 5.054 3.808
96 2HZ LYS 9 2HZ LYS 9 17.104 4.326 5.180
97 3HZ LYS 9 3HZ LYS 9 18.198 3.458 4.214
98 H LYS 10 H LYS 10 16.840 0.033 -0.619
99 HA LYS 10 HA LYS 10 19.135 -1.377 -0.997
100 1HB LYS 10 1HB LYS 10 16.352 -1.663 -2.068
101 2HB LYS 10 2HB LYS 10 17.573 -2.829 -2.582
102 1HG LYS 10 1HG LYS 10 18.135 -3.115 -0.102
103 2HG LYS 10 2HG LYS 10 16.645 -2.231 0.233
104 1HD LYS 10 1HD LYS 10 15.758 -4.348 0.196
105 2HD LYS 10 2HD LYS 10 15.687 -4.020 -1.536
106 1HE LYS 10 1HE LYS 10 18.313 -5.024 -0.718
107 2HE LYS 10 2HE LYS 10 17.006 -6.173 -0.374
108 1HZ LYS 10 1HZ LYS 10 17.410 -4.753 -2.954
109 2HZ LYS 10 2HZ LYS 10 17.794 -6.380 -2.668
110 3HZ LYS 10 3HZ LYS 10 16.174 -5.868 -2.613
111 H LEU 11 H LEU 11 17.259 -0.127 -3.798
112 HA LEU 11 HA LEU 11 19.596 -0.555 -5.530
113 1HB LEU 11 1HB LEU 11 16.656 -0.044 -5.880
114 2HB LEU 11 2HB LEU 11 17.759 0.100 -7.247
115 HG LEU 11 HG LEU 11 18.431 -2.190 -7.062
116 1HD1 LEU 11 1HD1 LEU 11 16.933 -2.135 -4.432
117 2HD1 LEU 11 2HD1 LEU 11 17.436 -3.633 -5.218
118 3HD1 LEU 11 3HD1 LEU 11 18.647 -2.465 -4.689
119 1HD2 LEU 11 1HD2 LEU 11 15.765 -1.414 -7.488
120 2HD2 LEU 11 2HD2 LEU 11 16.525 -2.914 -8.021
121 3HD2 LEU 11 3HD2 LEU 11 15.672 -2.857 -6.478
122 H ILE 12 H ILE 12 17.888 1.996 -3.957
123 HA ILE 12 HA ILE 12 19.435 4.045 -5.408
124 HB ILE 12 HB ILE 12 17.437 5.396 -5.442
125 1HG1 ILE 12 1HG1 ILE 12 15.866 3.165 -4.194
126 2HG1 ILE 12 2HG1 ILE 12 16.707 4.293 -3.141
127 1HG2 ILE 12 1HG2 ILE 12 17.751 3.549 -7.148
128 2HG2 ILE 12 2HG2 ILE 12 16.666 2.562 -6.169
129 3HG2 ILE 12 3HG2 ILE 12 16.078 4.054 -6.908
130 1HD1 ILE 12 1HD1 ILE 12 15.590 5.992 -4.952
131 2HD1 ILE 12 2HD1 ILE 12 14.354 4.737 -4.849
132 3HD1 ILE 12 3HD1 ILE 12 14.867 5.589 -3.393
133 H GLU 13 H GLU 13 20.288 2.950 -2.966
134 HA GLU 13 HA GLU 13 19.350 4.129 -0.624
135 1HB GLU 13 1HB GLU 13 21.913 3.037 -1.619
136 2HB GLU 13 2HB GLU 13 21.944 3.919 -0.082
137 1HG GLU 13 1HG GLU 13 19.611 2.431 0.045
138 2HG GLU 13 2HG GLU 13 20.762 1.345 -0.698
Start of MODEL 2
1 1H TYR 1 1H TYR 1 5.921 1.236 3.291
2 2H TYR 1 2H TYR 1 5.367 0.092 4.417
3 3H TYR 1 3H TYR 1 4.836 1.703 4.507
4 HA TYR 1 HA TYR 1 6.916 2.478 5.242
5 1HB TYR 1 1HB TYR 1 6.706 -0.211 6.592
6 2HB TYR 1 2HB TYR 1 6.940 1.379 7.329
7 HD1 TYR 1 HD1 TYR 1 4.549 -1.008 5.942
8 HD2 TYR 1 HD2 TYR 1 5.024 2.905 7.636
9 HE1 TYR 1 HE1 TYR 1 2.106 -0.853 6.251
10 HE2 TYR 1 HE2 TYR 1 2.573 3.064 7.952
11 HH TYR 1 HH TYR 1 0.594 0.832 8.156
12 H LEU 2 H LEU 2 8.420 -0.328 6.229
13 HA LEU 2 HA LEU 2 10.699 0.016 4.720
14 1HB LEU 2 1HB LEU 2 9.436 -2.212 6.188
15 2HB LEU 2 2HB LEU 2 10.952 -2.501 5.325
16 HG LEU 2 HG LEU 2 11.311 -0.041 6.547
17 1HD1 LEU 2 1HD1 LEU 2 9.526 -1.788 8.141
18 2HD1 LEU 2 2HD1 LEU 2 10.858 -1.021 9.008
19 3HD1 LEU 2 3HD1 LEU 2 9.685 -0.032 8.139
20 1HD2 LEU 2 1HD2 LEU 2 12.765 -2.224 6.282
21 2HD2 LEU 2 2HD2 LEU 2 13.097 -1.113 7.611
22 3HD2 LEU 2 3HD2 LEU 2 12.168 -2.583 7.902
23 H ARG 3 H ARG 3 7.683 -1.264 3.691
24 HA ARG 3 HA ARG 3 8.547 -2.988 1.625
25 1HB ARG 3 1HB ARG 3 6.174 -1.238 2.204
26 2HB ARG 3 2HB ARG 3 6.286 -2.015 0.625
27 1HG ARG 3 1HG ARG 3 5.066 -3.525 2.015
28 2HG ARG 3 2HG ARG 3 6.690 -4.196 1.871
29 1HD ARG 3 1HD ARG 3 6.211 -2.295 4.111
30 2HD ARG 3 2HD ARG 3 5.520 -3.922 4.260
31 HE ARG 3 HE ARG 3 8.373 -3.651 3.441
32 1HH1 ARG 3 1HH1 ARG 3 7.244 -3.332 6.411
33 2HH1 ARG 3 2HH1 ARG 3 7.720 -4.876 7.037
34 1HH2 ARG 3 1HH2 ARG 3 8.434 -6.215 3.919
35 2HH2 ARG 3 2HH2 ARG 3 8.396 -6.506 5.626
36 H ARG 4 H ARG 4 7.924 0.534 1.663
37 HA ARG 4 HA ARG 4 9.173 0.771 -0.980
38 1HB ARG 4 1HB ARG 4 8.241 3.017 -0.942
39 2HB ARG 4 2HB ARG 4 7.007 1.884 -0.384
40 1HG ARG 4 1HG ARG 4 6.844 3.273 1.405
41 2HG ARG 4 2HG ARG 4 8.308 2.454 1.946
42 1HD ARG 4 1HD ARG 4 9.345 4.358 0.250
43 2HD ARG 4 2HD ARG 4 7.974 5.217 0.981
44 HE ARG 4 HE ARG 4 9.429 3.713 2.977
45 1HH1 ARG 4 1HH2 ARG 4 8.333 6.707 2.595
46 2HH1 ARG 4 2HH2 ARG 4 9.779 7.558 3.030
47 1HH2 ARG 4 1HH1 ARG 4 11.799 4.746 2.877
48 2HH2 ARG 4 2HH1 ARG 4 11.740 6.450 3.184
49 H PHE 5 H PHE 5 10.007 1.169 2.303
50 HA PHE 5 HA PHE 5 12.082 3.116 1.929
51 1HB PHE 5 1HB PHE 5 11.351 3.228 4.064
52 2HB PHE 5 2HB PHE 5 10.636 1.641 3.977
53 HD1 PHE 5 HD1 PHE 5 13.155 3.534 5.537
54 HD2 PHE 5 HD2 PHE 5 12.383 -0.356 3.894
55 HE1 PHE 5 HE1 PHE 5 14.990 2.595 6.920
56 HE2 PHE 5 HE2 PHE 5 14.224 -1.304 5.283
57 HZ PHE 5 HZ PHE 5 15.524 0.175 6.792
58 H PHE 6 H PHE 6 11.676 -0.287 1.754
59 HA PHE 6 HA PHE 6 14.559 -0.876 1.909
60 1HB PHE 6 1HB PHE 6 12.455 -2.116 2.884
61 2HB PHE 6 2HB PHE 6 12.421 -2.828 1.278
62 HD1 PHE 6 HD1 PHE 6 15.167 -1.858 3.635
63 HD2 PHE 6 HD2 PHE 6 13.377 -4.953 1.255
64 HE1 PHE 6 HE1 PHE 6 16.995 -3.405 4.276
65 HE2 PHE 6 HE2 PHE 6 15.206 -6.502 1.896
66 HZ PHE 6 HZ PHE 6 17.014 -5.728 3.406
67 H LYS 7 H LYS 7 11.883 -1.661 -0.330
68 HA LYS 7 HA LYS 7 13.354 -2.501 -2.534
69 1HB LYS 7 1HB LYS 7 10.826 -2.362 -2.059
70 2HB LYS 7 2HB LYS 7 10.957 -0.736 -2.717
71 1HG LYS 7 1HG LYS 7 12.218 -2.886 -4.321
72 2HG LYS 7 2HG LYS 7 10.455 -2.883 -4.268
73 1HD LYS 7 1HD LYS 7 12.175 -0.496 -4.998
74 2HD LYS 7 2HD LYS 7 11.319 -1.518 -6.153
75 1HE LYS 7 1HE LYS 7 9.380 -0.398 -5.797
76 2HE LYS 7 2HE LYS 7 9.518 -0.632 -4.045
77 1HZ LYS 7 1HZ LYS 7 11.506 1.177 -4.897
78 2HZ LYS 7 2HZ LYS 7 10.006 1.705 -5.491
79 3HZ LYS 7 3HZ LYS 7 10.216 1.452 -3.828
80 H ALA 8 H ALA 8 12.871 0.769 -1.320
81 HA ALA 8 HA ALA 8 13.885 2.039 -3.719
82 1HB ALA 8 1HB ALA 8 13.305 2.984 -0.900
83 2HB ALA 8 2HB ALA 8 13.754 4.061 -2.222
84 3HB ALA 8 3HB ALA 8 12.248 3.149 -2.303
85 H LYS 9 H LYS 9 15.174 2.964 -0.606
86 HA LYS 9 HA LYS 9 17.721 3.518 -1.150
87 1HB LYS 9 1HB LYS 9 16.220 2.474 1.087
88 2HB LYS 9 2HB LYS 9 17.881 1.873 1.144
89 1HG LYS 9 1HG LYS 9 18.738 3.931 1.587
90 2HG LYS 9 2HG LYS 9 17.648 4.732 0.455
91 1HD LYS 9 1HD LYS 9 16.342 5.389 2.164
92 2HD LYS 9 2HD LYS 9 16.085 3.705 2.620
93 1HE LYS 9 1HE LYS 9 18.730 4.791 3.392
94 2HE LYS 9 2HE LYS 9 17.344 5.514 4.232
95 1HZ LYS 9 1HZ LYS 9 17.209 2.644 3.846
96 2HZ LYS 9 2HZ LYS 9 18.421 3.164 4.918
97 3HZ LYS 9 3HZ LYS 9 16.797 3.574 5.203
98 H LYS 10 H LYS 10 16.686 0.120 -0.597
99 HA LYS 10 HA LYS 10 18.980 -1.332 -0.770
100 1HB LYS 10 1HB LYS 10 16.616 -2.158 -0.783
101 2HB LYS 10 2HB LYS 10 16.540 -1.798 -2.509
102 1HG LYS 10 1HG LYS 10 17.467 -3.797 -2.945
103 2HG LYS 10 2HG LYS 10 18.916 -3.298 -2.071
104 1HD LYS 10 1HD LYS 10 18.413 -4.633 -0.326
105 2HD LYS 10 2HD LYS 10 16.766 -4.005 -0.245
106 1HE LYS 10 1HE LYS 10 15.911 -5.698 -1.560
107 2HE LYS 10 2HE LYS 10 17.403 -5.849 -2.509
108 1HZ LYS 10 1HZ LYS 10 18.477 -6.667 -0.418
109 2HZ LYS 10 2HZ LYS 10 16.927 -6.774 0.269
110 3HZ LYS 10 3HZ LYS 10 17.321 -7.721 -1.081
111 H LEU 11 H LEU 11 17.314 -0.188 -3.742
112 HA LEU 11 HA LEU 11 19.773 -0.668 -5.278
113 1HB LEU 11 1HB LEU 11 16.860 -0.217 -5.837
114 2HB LEU 11 2HB LEU 11 18.043 -0.100 -7.138
115 HG LEU 11 HG LEU 11 18.682 -2.360 -6.919
116 1HD1 LEU 11 1HD1 LEU 11 17.290 -2.274 -4.237
117 2HD1 LEU 11 2HD1 LEU 11 17.829 -3.773 -4.995
118 3HD1 LEU 11 3HD1 LEU 11 19.006 -2.538 -4.546
119 1HD2 LEU 11 1HD2 LEU 11 16.421 -2.060 -7.890
120 2HD2 LEU 11 2HD2 LEU 11 16.569 -3.606 -7.051
121 3HD2 LEU 11 3HD2 LEU 11 15.720 -2.263 -6.283
122 H ILE 12 H ILE 12 17.932 1.938 -3.957
123 HA ILE 12 HA ILE 12 19.557 3.915 -5.419
124 HB ILE 12 HB ILE 12 17.549 5.237 -5.646
125 1HG1 ILE 12 1HG1 ILE 12 15.980 3.026 -4.340
126 2HG1 ILE 12 2HG1 ILE 12 16.687 4.296 -3.348
127 1HG2 ILE 12 1HG2 ILE 12 17.172 2.306 -6.313
128 2HG2 ILE 12 2HG2 ILE 12 16.142 3.594 -6.939
129 3HG2 ILE 12 3HG2 ILE 12 17.853 3.550 -7.361
130 1HD1 ILE 12 1HD1 ILE 12 15.587 5.703 -5.438
131 2HD1 ILE 12 2HD1 ILE 12 14.402 4.423 -5.171
132 3HD1 ILE 12 3HD1 ILE 12 14.849 5.505 -3.849
133 H GLU 13 H GLU 13 20.265 2.960 -2.875
134 HA GLU 13 HA GLU 13 19.202 4.269 -0.658
135 1HB GLU 13 1HB GLU 13 21.812 3.131 -1.453
136 2HB GLU 13 2HB GLU 13 21.773 4.121 0.016
137 1HG GLU 13 1HG GLU 13 19.439 2.615 0.128
138 2HG GLU 13 2HG GLU 13 20.652 1.499 -0.451
Start of MODEL 3
1 1H TYR 1 1H TYR 1 5.846 1.295 3.705
2 2H TYR 1 2H TYR 1 5.450 0.059 4.799
3 3H TYR 1 3H TYR 1 4.816 1.621 5.011
4 HA TYR 1 HA TYR 1 6.922 2.509 5.592
5 1HB TYR 1 1HB TYR 1 6.829 -0.187 6.954
6 2HB TYR 1 2HB TYR 1 7.112 1.400 7.676
7 HD1 TYR 1 HD1 TYR 1 5.268 2.799 8.350
8 HD2 TYR 1 HD2 TYR 1 4.583 -0.846 6.191
9 HE1 TYR 1 HE1 TYR 1 2.844 2.974 8.822
10 HE2 TYR 1 HE2 TYR 1 2.166 -0.675 6.660
11 HH TYR 1 HH TYR 1 0.885 1.596 8.925
12 H LEU 2 H LEU 2 8.492 -0.362 6.438
13 HA LEU 2 HA LEU 2 10.697 0.119 4.819
14 1HB LEU 2 1HB LEU 2 9.623 -2.212 6.300
15 2HB LEU 2 2HB LEU 2 11.145 -2.347 5.411
16 HG LEU 2 HG LEU 2 11.368 0.085 6.668
17 1HD1 LEU 2 1HD1 LEU 2 9.623 -1.723 8.237
18 2HD1 LEU 2 2HD1 LEU 2 10.904 -0.901 9.126
19 3HD1 LEU 2 3HD1 LEU 2 9.712 0.038 8.227
20 1HD2 LEU 2 1HD2 LEU 2 12.786 -2.252 6.519
21 2HD2 LEU 2 2HD2 LEU 2 13.254 -0.881 7.526
22 3HD2 LEU 2 3HD2 LEU 2 12.357 -2.227 8.230
23 H ARG 3 H ARG 3 7.668 -1.248 3.954
24 HA ARG 3 HA ARG 3 8.460 -2.953 1.845
25 1HB ARG 3 1HB ARG 3 6.095 -1.296 2.621
26 2HB ARG 3 2HB ARG 3 6.139 -1.905 0.966
27 1HG ARG 3 1HG ARG 3 4.994 -3.530 2.343
28 2HG ARG 3 2HG ARG 3 6.563 -4.193 1.887
29 1HD ARG 3 1HD ARG 3 6.506 -2.608 4.389
30 2HD ARG 3 2HD ARG 3 5.702 -4.187 4.440
31 HE ARG 3 HE ARG 3 8.532 -3.825 3.512
32 1HH1 ARG 3 1HH2 ARG 3 6.917 -4.961 6.139
33 2HH1 ARG 3 2HH2 ARG 3 7.480 -6.596 6.044
34 1HH2 ARG 3 1HH1 ARG 3 8.859 -6.218 2.888
35 2HH2 ARG 3 2HH1 ARG 3 8.576 -7.308 4.204
36 H ARG 4 H ARG 4 7.920 0.552 2.029
37 HA ARG 4 HA ARG 4 8.893 0.897 -0.713
38 1HB ARG 4 1HB ARG 4 7.915 3.052 -0.552
39 2HB ARG 4 2HB ARG 4 6.841 2.016 0.388
40 1HG ARG 4 1HG ARG 4 8.779 2.772 2.227
41 2HG ARG 4 2HG ARG 4 8.521 4.235 1.280
42 1HD ARG 4 1HD ARG 4 6.291 4.425 1.933
43 2HD ARG 4 2HD ARG 4 6.128 2.684 2.238
44 HE ARG 4 HE ARG 4 7.905 3.215 4.127
45 1HH1 ARG 4 1HH2 ARG 4 4.728 3.977 3.999
46 2HH1 ARG 4 2HH2 ARG 4 4.782 5.322 5.089
47 1HH2 ARG 4 1HH1 ARG 4 8.244 5.499 5.125
48 2HH2 ARG 4 2HH1 ARG 4 6.770 6.186 5.721
49 H PHE 5 H PHE 5 10.029 1.256 2.543
50 HA PHE 5 HA PHE 5 12.168 3.071 1.953
51 1HB PHE 5 1HB PHE 5 11.713 3.253 4.148
52 2HB PHE 5 2HB PHE 5 10.792 1.777 4.135
53 HD1 PHE 5 HD1 PHE 5 13.646 3.310 5.502
54 HD2 PHE 5 HD2 PHE 5 12.266 -0.432 3.902
55 HE1 PHE 5 HE1 PHE 5 15.449 2.125 6.728
56 HE2 PHE 5 HE2 PHE 5 14.071 -1.621 5.138
57 HZ PHE 5 HZ PHE 5 15.660 -0.339 6.547
58 H PHE 6 H PHE 6 11.616 -0.306 1.784
59 HA PHE 6 HA PHE 6 14.458 -1.028 1.892
60 1HB PHE 6 1HB PHE 6 12.323 -2.198 2.833
61 2HB PHE 6 2HB PHE 6 12.224 -2.851 1.204
62 HD1 PHE 6 HD1 PHE 6 15.113 -2.053 3.437
63 HD2 PHE 6 HD2 PHE 6 13.026 -5.064 1.190
64 HE1 PHE 6 HE1 PHE 6 16.884 -3.696 3.993
65 HE2 PHE 6 HE2 PHE 6 14.797 -6.707 1.750
66 HZ PHE 6 HZ PHE 6 16.726 -6.024 3.151
67 H LYS 7 H LYS 7 11.791 -1.650 -0.423
68 HA LYS 7 HA LYS 7 13.336 -2.479 -2.594
69 1HB LYS 7 1HB LYS 7 10.796 -2.354 -2.220
70 2HB LYS 7 2HB LYS 7 10.947 -0.714 -2.841
71 1HG LYS 7 1HG LYS 7 12.253 -1.813 -4.804
72 2HG LYS 7 2HG LYS 7 11.487 -3.305 -4.261
73 1HD LYS 7 1HD LYS 7 9.271 -2.003 -4.353
74 2HD LYS 7 2HD LYS 7 10.160 -0.787 -5.270
75 1HE LYS 7 1HE LYS 7 10.659 -3.500 -6.260
76 2HE LYS 7 2HE LYS 7 8.951 -3.030 -6.371
77 1HZ LYS 7 1HZ LYS 7 9.920 -0.793 -7.169
78 2HZ LYS 7 2HZ LYS 7 11.316 -1.692 -7.516
79 3HZ LYS 7 3HZ LYS 7 9.845 -2.087 -8.268
80 H ALA 8 H ALA 8 12.862 0.772 -1.339
81 HA ALA 8 HA ALA 8 13.902 2.086 -3.698
82 1HB ALA 8 1HB ALA 8 13.120 2.859 -0.898
83 2HB ALA 8 2HB ALA 8 13.900 4.028 -1.962
84 3HB ALA 8 3HB ALA 8 12.350 3.318 -2.415
85 H LYS 9 H LYS 9 15.212 3.019 -0.608
86 HA LYS 9 HA LYS 9 17.761 3.532 -1.181
87 1HB LYS 9 1HB LYS 9 16.299 2.433 1.097
88 2HB LYS 9 2HB LYS 9 18.017 2.022 1.144
89 1HG LYS 9 1HG LYS 9 18.538 4.117 1.763
90 2HG LYS 9 2HG LYS 9 17.716 4.773 0.348
91 1HD LYS 9 1HD LYS 9 15.898 3.816 2.461
92 2HD LYS 9 2HD LYS 9 16.908 5.182 2.939
93 1HE LYS 9 1HE LYS 9 15.829 6.624 1.528
94 2HE LYS 9 2HE LYS 9 15.694 5.410 0.241
95 1HZ LYS 9 1HZ LYS 9 14.180 5.178 2.773
96 2HZ LYS 9 2HZ LYS 9 13.558 6.034 1.444
97 3HZ LYS 9 3HZ LYS 9 13.899 4.379 1.300
98 H LYS 10 H LYS 10 16.671 0.165 -0.573
99 HA LYS 10 HA LYS 10 18.941 -1.328 -0.711
100 1HB LYS 10 1HB LYS 10 16.619 -2.173 -0.693
101 2HB LYS 10 2HB LYS 10 16.444 -1.722 -2.389
102 1HG LYS 10 1HG LYS 10 17.171 -3.815 -2.853
103 2HG LYS 10 2HG LYS 10 18.768 -3.220 -2.395
104 1HD LYS 10 1HD LYS 10 18.172 -3.826 0.006
105 2HD LYS 10 2HD LYS 10 16.768 -4.671 -0.648
106 1HE LYS 10 1HE LYS 10 18.817 -5.611 -2.252
107 2HE LYS 10 2HE LYS 10 19.590 -5.486 -0.660
108 1HZ LYS 10 1HZ LYS 10 17.518 -6.539 0.250
109 2HZ LYS 10 2HZ LYS 10 17.072 -6.895 -1.347
110 3HZ LYS 10 3HZ LYS 10 18.491 -7.564 -0.694
111 H LEU 11 H LEU 11 17.311 -0.189 -3.708
112 HA LEU 11 HA LEU 11 19.773 -0.720 -5.218
113 1HB LEU 11 1HB LEU 11 16.869 -0.261 -5.791
114 2HB LEU 11 2HB LEU 11 18.051 -0.128 -7.093
115 HG LEU 11 HG LEU 11 18.705 -2.385 -6.883
116 1HD1 LEU 11 1HD1 LEU 11 17.235 -2.413 -4.235
117 2HD1 LEU 11 2HD1 LEU 11 17.986 -3.822 -4.984
118 3HD1 LEU 11 3HD1 LEU 11 18.984 -2.467 -4.457
119 1HD2 LEU 11 1HD2 LEU 11 16.310 -1.919 -7.713
120 2HD2 LEU 11 2HD2 LEU 11 16.694 -3.580 -7.261
121 3HD2 LEU 11 3HD2 LEU 11 15.784 -2.552 -6.153
122 H ILE 12 H ILE 12 17.934 1.963 -3.982
123 HA ILE 12 HA ILE 12 19.654 3.855 -5.446
124 HB ILE 12 HB ILE 12 17.654 5.258 -5.663
125 1HG1 ILE 12 1HG1 ILE 12 16.197 2.876 -4.494
126 2HG1 ILE 12 2HG1 ILE 12 16.582 4.320 -3.558
127 1HG2 ILE 12 1HG2 ILE 12 17.536 2.389 -6.599
128 2HG2 ILE 12 2HG2 ILE 12 16.364 3.596 -7.128
129 3HG2 ILE 12 3HG2 ILE 12 18.074 3.802 -7.507
130 1HD1 ILE 12 1HD1 ILE 12 15.444 5.053 -6.097
131 2HD1 ILE 12 2HD1 ILE 12 14.365 3.939 -5.253
132 3HD1 ILE 12 3HD1 ILE 12 14.869 5.442 -4.477
133 H GLU 13 H GLU 13 20.320 3.015 -2.883
134 HA GLU 13 HA GLU 13 19.215 4.353 -0.706
135 1HB GLU 13 1HB GLU 13 21.888 3.314 -1.460
136 2HB GLU 13 2HB GLU 13 21.752 4.276 0.022
137 1HG GLU 13 1HG GLU 13 19.492 2.672 0.049
138 2HG GLU 13 2HG GLU 13 20.754 1.616 -0.539
Start of MODEL 4
1 1H TYR 1 1H TYR 1 5.588 1.570 3.023
2 2H TYR 1 2H TYR 1 5.122 0.354 4.112
3 3H TYR 1 3H TYR 1 4.470 1.913 4.253
4 HA TYR 1 HA TYR 1 6.563 2.819 4.918
5 1HB TYR 1 1HB TYR 1 6.288 0.200 6.396
6 2HB TYR 1 2HB TYR 1 6.592 1.807 7.060
7 HD1 TYR 1 HD1 TYR 1 4.786 3.250 7.655
8 HD2 TYR 1 HD2 TYR 1 4.055 -0.349 5.433
9 HE1 TYR 1 HE1 TYR 1 2.349 3.539 7.985
10 HE2 TYR 1 HE2 TYR 1 1.627 -0.062 5.753
11 HH TYR 1 HH TYR 1 0.250 1.630 7.965
12 H LEU 2 H LEU 2 8.043 0.110 6.131
13 HA LEU 2 HA LEU 2 10.361 0.366 4.659
14 1HB LEU 2 1HB LEU 2 9.093 -1.770 6.265
15 2HB LEU 2 2HB LEU 2 10.664 -2.060 5.506
16 HG LEU 2 HG LEU 2 10.882 0.498 6.531
17 1HD1 LEU 2 1HD1 LEU 2 9.194 -1.233 8.310
18 2HD1 LEU 2 2HD1 LEU 2 10.279 -0.026 9.001
19 3HD1 LEU 2 3HD1 LEU 2 8.994 0.470 7.900
20 1HD2 LEU 2 1HD2 LEU 2 12.349 -1.729 6.586
21 2HD2 LEU 2 2HD2 LEU 2 12.647 -0.412 7.720
22 3HD2 LEU 2 3HD2 LEU 2 11.713 -1.818 8.229
23 H ARG 3 H ARG 3 7.395 -1.048 3.677
24 HA ARG 3 HA ARG 3 8.325 -2.930 1.780
25 1HB ARG 3 1HB ARG 3 5.941 -1.049 1.831
26 2HB ARG 3 2HB ARG 3 6.110 -2.374 0.674
27 1HG ARG 3 1HG ARG 3 5.900 -2.574 3.688
28 2HG ARG 3 2HG ARG 3 4.778 -3.215 2.487
29 1HD ARG 3 1HD ARG 3 5.980 -5.153 2.892
30 2HD ARG 3 2HD ARG 3 7.055 -4.442 1.671
31 HE ARG 3 HE ARG 3 8.422 -3.524 3.518
32 1HH1 ARG 3 1HH2 ARG 3 8.572 -6.437 3.988
33 2HH1 ARG 3 2HH2 ARG 3 8.119 -6.583 5.653
34 1HH2 ARG 3 1HH1 ARG 3 6.698 -3.423 5.816
35 2HH2 ARG 3 2HH1 ARG 3 7.056 -4.877 6.687
36 H ARG 4 H ARG 4 7.739 0.582 1.543
37 HA ARG 4 HA ARG 4 9.022 0.617 -1.094
38 1HB ARG 4 1HB ARG 4 7.990 2.734 -1.335
39 2HB ARG 4 2HB ARG 4 6.834 1.802 -0.385
40 1HG ARG 4 1HG ARG 4 8.615 2.906 1.491
41 2HG ARG 4 2HG ARG 4 8.270 4.206 0.351
42 1HD ARG 4 1HD ARG 4 6.010 4.257 0.892
43 2HD ARG 4 2HD ARG 4 5.982 2.546 1.365
44 HE ARG 4 HE ARG 4 7.432 3.270 3.349
45 1HH1 ARG 4 1HH2 ARG 4 4.441 4.396 2.941
46 2HH1 ARG 4 2HH2 ARG 4 4.651 5.931 3.714
47 1HH2 ARG 4 1HH1 ARG 4 8.109 5.714 3.804
48 2HH2 ARG 4 2HH1 ARG 4 6.725 6.678 4.202
49 H PHE 5 H PHE 5 9.786 1.310 2.183
50 HA PHE 5 HA PHE 5 11.923 3.159 1.689
51 1HB PHE 5 1HB PHE 5 11.164 3.485 3.784
52 2HB PHE 5 2HB PHE 5 10.370 1.939 3.812
53 HD1 PHE 5 HD1 PHE 5 12.881 3.830 5.347
54 HD2 PHE 5 HD2 PHE 5 12.064 -0.138 3.922
55 HE1 PHE 5 HE1 PHE 5 14.611 2.931 6.884
56 HE2 PHE 5 HE2 PHE 5 13.798 -1.045 5.464
57 HZ PHE 5 HZ PHE 5 15.070 0.493 6.940
58 H PHE 6 H PHE 6 11.466 -0.240 1.703
59 HA PHE 6 HA PHE 6 14.299 -0.880 2.151
60 1HB PHE 6 1HB PHE 6 12.113 -2.057 2.942
61 2HB PHE 6 2HB PHE 6 12.163 -2.782 1.344
62 HD1 PHE 6 HD1 PHE 6 12.903 -5.007 1.609
63 HD2 PHE 6 HD2 PHE 6 14.909 -1.826 3.683
64 HE1 PHE 6 HE1 PHE 6 14.623 -6.609 2.403
65 HE2 PHE 6 HE2 PHE 6 16.628 -3.426 4.477
66 HZ PHE 6 HZ PHE 6 16.486 -5.818 3.837
67 H LYS 7 H LYS 7 11.901 -1.716 -0.378
68 HA LYS 7 HA LYS 7 13.694 -2.553 -2.354
69 1HB LYS 7 1HB LYS 7 11.189 -2.701 -2.309
70 2HB LYS 7 2HB LYS 7 11.167 -0.996 -2.744
71 1HG LYS 7 1HG LYS 7 11.332 -1.596 -4.905
72 2HG LYS 7 2HG LYS 7 12.953 -2.196 -4.551
73 1HD LYS 7 1HD LYS 7 12.068 -4.183 -5.259
74 2HD LYS 7 2HD LYS 7 11.475 -4.258 -3.599
75 1HE LYS 7 1HE LYS 7 9.297 -3.696 -4.206
76 2HE LYS 7 2HE LYS 7 9.822 -2.819 -5.657
77 1HZ LYS 7 1HZ LYS 7 10.631 -5.578 -5.639
78 2HZ LYS 7 2HZ LYS 7 8.943 -5.391 -5.615
79 3HZ LYS 7 3HZ LYS 7 9.852 -4.687 -6.859
80 H ALA 8 H ALA 8 12.830 0.687 -1.323
81 HA ALA 8 HA ALA 8 13.882 2.098 -3.570
82 1HB ALA 8 1HB ALA 8 13.407 2.851 -0.674
83 2HB ALA 8 2HB ALA 8 13.764 4.014 -1.951
84 3HB ALA 8 3HB ALA 8 12.277 3.066 -2.011
85 H LYS 9 H LYS 9 15.291 2.902 -0.478
86 HA LYS 9 HA LYS 9 17.811 3.490 -1.123
87 1HB LYS 9 1HB LYS 9 16.448 2.263 1.155
88 2HB LYS 9 2HB LYS 9 18.171 1.874 1.118
89 1HG LYS 9 1HG LYS 9 18.809 4.043 1.477
90 2HG LYS 9 2HG LYS 9 17.458 4.702 0.554
91 1HD LYS 9 1HD LYS 9 17.223 5.223 2.957
92 2HD LYS 9 2HD LYS 9 15.922 4.165 2.411
93 1HE LYS 9 1HE LYS 9 16.602 3.088 4.384
94 2HE LYS 9 2HE LYS 9 17.591 2.245 3.175
95 1HZ LYS 9 1HZ LYS 9 19.342 3.894 3.536
96 2HZ LYS 9 2HZ LYS 9 18.409 4.635 4.743
97 3HZ LYS 9 3HZ LYS 9 18.984 3.054 4.969
98 H LYS 10 H LYS 10 16.796 0.082 -0.616
99 HA LYS 10 HA LYS 10 19.073 -1.376 -0.933
100 1HB LYS 10 1HB LYS 10 16.617 -2.088 -0.905
101 2HB LYS 10 2HB LYS 10 16.626 -1.843 -2.651
102 1HG LYS 10 1HG LYS 10 18.350 -3.505 -2.949
103 2HG LYS 10 2HG LYS 10 18.591 -3.637 -1.207
104 1HD LYS 10 1HD LYS 10 17.234 -5.508 -1.831
105 2HD LYS 10 2HD LYS 10 16.151 -4.355 -1.050
106 1HE LYS 10 1HE LYS 10 15.751 -3.451 -3.474
107 2HE LYS 10 2HE LYS 10 16.386 -5.030 -3.977
108 1HZ LYS 10 1HZ LYS 10 14.823 -6.003 -2.276
109 2HZ LYS 10 2HZ LYS 10 14.080 -4.477 -2.198
110 3HZ LYS 10 3HZ LYS 10 14.086 -5.349 -3.656
111 H LEU 11 H LEU 11 17.273 -0.160 -3.802
112 HA LEU 11 HA LEU 11 19.670 -0.577 -5.453
113 1HB LEU 11 1HB LEU 11 16.731 -0.151 -5.873
114 2HB LEU 11 2HB LEU 11 17.852 0.035 -7.222
115 HG LEU 11 HG LEU 11 18.549 -2.223 -7.096
116 1HD1 LEU 11 1HD1 LEU 11 17.158 -2.326 -4.405
117 2HD1 LEU 11 2HD1 LEU 11 17.866 -3.722 -5.219
118 3HD1 LEU 11 3HD1 LEU 11 18.898 -2.393 -4.690
119 1HD2 LEU 11 1HD2 LEU 11 15.956 -1.605 -7.585
120 2HD2 LEU 11 2HD2 LEU 11 16.604 -3.236 -7.749
121 3HD2 LEU 11 3HD2 LEU 11 15.753 -2.769 -6.275
122 H ILE 12 H ILE 12 17.915 1.970 -3.940
123 HA ILE 12 HA ILE 12 19.435 4.010 -5.430
124 HB ILE 12 HB ILE 12 17.429 5.336 -5.502
125 1HG1 ILE 12 1HG1 ILE 12 15.850 3.153 -4.188
126 2HG1 ILE 12 2HG1 ILE 12 16.727 4.274 -3.156
127 1HG2 ILE 12 1HG2 ILE 12 17.766 3.357 -7.105
128 2HG2 ILE 12 2HG2 ILE 12 16.580 2.505 -6.119
129 3HG2 ILE 12 3HG2 ILE 12 16.123 3.984 -6.963
130 1HD1 ILE 12 1HD1 ILE 12 15.600 5.943 -5.027
131 2HD1 ILE 12 2HD1 ILE 12 14.337 4.737 -4.780
132 3HD1 ILE 12 3HD1 ILE 12 14.961 5.655 -3.408
133 H GLU 13 H GLU 13 20.285 2.956 -2.956
134 HA GLU 13 HA GLU 13 19.340 4.202 -0.650
135 1HB GLU 13 1HB GLU 13 21.897 3.059 -1.599
136 2HB GLU 13 2HB GLU 13 21.937 4.001 -0.099
137 1HG GLU 13 1HG GLU 13 19.590 2.525 0.074
138 2HG GLU 13 2HG GLU 13 20.756 1.409 -0.600
Start of MODEL 5
1 1H TYR 1 1H TYR 1 5.818 1.088 3.312
2 2H TYR 1 2H TYR 1 5.351 -0.137 4.393
3 3H TYR 1 3H TYR 1 4.709 1.425 4.554
4 HA TYR 1 HA TYR 1 6.752 2.316 5.288
5 1HB TYR 1 1HB TYR 1 6.611 -0.423 6.557
6 2HB TYR 1 2HB TYR 1 6.871 1.136 7.346
7 HD1 TYR 1 HD1 TYR 1 4.994 2.605 7.858
8 HD2 TYR 1 HD2 TYR 1 4.417 -1.108 5.787
9 HE1 TYR 1 HE1 TYR 1 2.550 2.780 8.223
10 HE2 TYR 1 HE2 TYR 1 1.984 -0.939 6.147
11 HH TYR 1 HH TYR 1 0.536 1.939 7.637
12 H LEU 2 H LEU 2 8.352 -0.471 6.217
13 HA LEU 2 HA LEU 2 10.627 0.033 4.722
14 1HB LEU 2 1HB LEU 2 9.506 -2.271 6.197
15 2HB LEU 2 2HB LEU 2 11.051 -2.446 5.354
16 HG LEU 2 HG LEU 2 11.236 0.027 6.562
17 1HD1 LEU 2 1HD1 LEU 2 9.448 -1.742 8.097
18 2HD1 LEU 2 2HD1 LEU 2 10.752 -1.000 9.025
19 3HD1 LEU 2 3HD1 LEU 2 9.615 0.013 8.137
20 1HD2 LEU 2 1HD2 LEU 2 12.744 -2.189 6.412
21 2HD2 LEU 2 2HD2 LEU 2 13.081 -0.914 7.583
22 3HD2 LEU 2 3HD2 LEU 2 12.196 -2.356 8.080
23 H ARG 3 H ARG 3 7.685 -1.374 3.684
24 HA ARG 3 HA ARG 3 8.647 -3.091 1.641
25 1HB ARG 3 1HB ARG 3 6.175 -1.467 2.196
26 2HB ARG 3 2HB ARG 3 6.337 -2.268 0.634
27 1HG ARG 3 1HG ARG 3 5.199 -3.818 2.052
28 2HG ARG 3 2HG ARG 3 6.860 -4.399 1.922
29 1HD ARG 3 1HD ARG 3 6.282 -2.484 4.125
30 2HD ARG 3 2HD ARG 3 5.661 -4.136 4.305
31 HE ARG 3 HE ARG 3 8.510 -3.732 3.512
32 1HH1 ARG 3 1HH2 ARG 3 6.811 -3.797 6.357
33 2HH1 ARG 3 2HH2 ARG 3 7.570 -5.212 7.009
34 1HH2 ARG 3 1HH1 ARG 3 9.192 -6.026 4.051
35 2HH2 ARG 3 2HH1 ARG 3 8.914 -6.478 5.700
36 H ARG 4 H ARG 4 7.943 0.392 1.759
37 HA ARG 4 HA ARG 4 9.052 0.747 -0.930
38 1HB ARG 4 1HB ARG 4 7.949 2.836 -0.881
39 2HB ARG 4 2HB ARG 4 6.889 1.788 0.060
40 1HG ARG 4 1HG ARG 4 8.737 2.730 1.926
41 2HG ARG 4 2HG ARG 4 8.401 4.132 0.912
42 1HD ARG 4 1HD ARG 4 6.170 4.222 1.541
43 2HD ARG 4 2HD ARG 4 6.079 2.473 1.840
44 HE ARG 4 HE ARG 4 7.691 3.001 3.812
45 1HH1 ARG 4 1HH2 ARG 4 4.828 4.589 2.890
46 2HH1 ARG 4 2HH2 ARG 4 4.857 5.726 4.195
47 1HH2 ARG 4 1HH1 ARG 4 7.966 4.724 5.355
48 2HH2 ARG 4 2HH1 ARG 4 6.632 5.803 5.588
49 H PHE 5 H PHE 5 10.003 1.150 2.373
50 HA PHE 5 HA PHE 5 12.073 3.078 1.911
51 1HB PHE 5 1HB PHE 5 11.516 3.198 4.089
52 2HB PHE 5 2HB PHE 5 10.666 1.682 4.011
53 HD1 PHE 5 HD1 PHE 5 13.389 3.324 5.517
54 HD2 PHE 5 HD2 PHE 5 12.245 -0.458 3.831
55 HE1 PHE 5 HE1 PHE 5 15.186 2.207 6.815
56 HE2 PHE 5 HE2 PHE 5 14.046 -1.579 5.133
57 HZ PHE 5 HZ PHE 5 15.514 -0.245 6.623
58 H PHE 6 H PHE 6 11.677 -0.323 1.747
59 HA PHE 6 HA PHE 6 14.549 -0.914 1.865
60 1HB PHE 6 1HB PHE 6 12.487 -2.192 2.813
61 2HB PHE 6 2HB PHE 6 12.369 -2.806 1.172
62 HD1 PHE 6 HD1 PHE 6 13.102 -5.043 1.264
63 HD2 PHE 6 HD2 PHE 6 15.403 -1.951 3.164
64 HE1 PHE 6 HE1 PHE 6 14.916 -6.671 1.717
65 HE2 PHE 6 HE2 PHE 6 17.216 -3.580 3.617
66 HZ PHE 6 HZ PHE 6 16.974 -5.940 2.895
67 H LYS 7 H LYS 7 11.923 -1.788 -0.388
68 HA LYS 7 HA LYS 7 13.392 -2.491 -2.619
69 1HB LYS 7 1HB LYS 7 10.877 -2.437 -2.175
70 2HB LYS 7 2HB LYS 7 10.958 -0.762 -2.709
71 1HG LYS 7 1HG LYS 7 10.601 -1.652 -4.774
72 2HG LYS 7 2HG LYS 7 12.336 -1.965 -4.712
73 1HD LYS 7 1HD LYS 7 11.806 -4.202 -3.662
74 2HD LYS 7 2HD LYS 7 10.105 -3.887 -4.002
75 1HE LYS 7 1HE LYS 7 10.544 -3.756 -6.395
76 2HE LYS 7 2HE LYS 7 12.289 -3.902 -6.114
77 1HZ LYS 7 1HZ LYS 7 11.080 -5.961 -4.701
78 2HZ LYS 7 2HZ LYS 7 10.348 -5.959 -6.234
79 3HZ LYS 7 3HZ LYS 7 12.033 -6.097 -6.099
80 H ALA 8 H ALA 8 12.899 0.725 -1.305
81 HA ALA 8 HA ALA 8 13.871 2.096 -3.665
82 1HB ALA 8 1HB ALA 8 13.006 2.772 -0.877
83 2HB ALA 8 2HB ALA 8 13.886 3.984 -1.809
84 3HB ALA 8 3HB ALA 8 12.353 3.350 -2.410
85 H LYS 9 H LYS 9 15.195 3.022 -0.584
86 HA LYS 9 HA LYS 9 17.730 3.577 -1.180
87 1HB LYS 9 1HB LYS 9 16.275 2.498 1.105
88 2HB LYS 9 2HB LYS 9 17.988 2.065 1.158
89 1HG LYS 9 1HG LYS 9 18.519 4.156 1.786
90 2HG LYS 9 2HG LYS 9 17.759 4.802 0.330
91 1HD LYS 9 1HD LYS 9 15.534 4.300 1.724
92 2HD LYS 9 2HD LYS 9 16.640 4.511 3.082
93 1HE LYS 9 1HE LYS 9 16.259 6.512 0.822
94 2HE LYS 9 2HE LYS 9 15.603 6.675 2.464
95 1HZ LYS 9 1HZ LYS 9 18.481 6.310 1.815
96 2HZ LYS 9 2HZ LYS 9 17.766 7.795 2.213
97 3HZ LYS 9 3HZ LYS 9 17.819 6.544 3.362
98 H LYS 10 H LYS 10 16.718 0.189 -0.513
99 HA LYS 10 HA LYS 10 19.019 -1.251 -0.705
100 1HB LYS 10 1HB LYS 10 16.585 -2.009 -0.669
101 2HB LYS 10 2HB LYS 10 16.607 -1.856 -2.428
102 1HG LYS 10 1HG LYS 10 18.286 -3.531 -2.651
103 2HG LYS 10 2HG LYS 10 18.658 -3.492 -0.928
104 1HD LYS 10 1HD LYS 10 16.658 -4.596 -0.345
105 2HD LYS 10 2HD LYS 10 15.905 -4.239 -1.900
106 1HE LYS 10 1HE LYS 10 16.665 -6.205 -2.724
107 2HE LYS 10 2HE LYS 10 18.334 -5.721 -2.362
108 1HZ LYS 10 1HZ LYS 10 16.535 -6.564 -0.187
109 2HZ LYS 10 2HZ LYS 10 17.327 -7.740 -1.124
110 3HZ LYS 10 3HZ LYS 10 18.229 -6.599 -0.245
111 H LEU 11 H LEU 11 17.266 -0.195 -3.670
112 HA LEU 11 HA LEU 11 19.700 -0.704 -5.242
113 1HB LEU 11 1HB LEU 11 16.773 -0.290 -5.773
114 2HB LEU 11 2HB LEU 11 17.938 -0.180 -7.093
115 HG LEU 11 HG LEU 11 18.662 -2.429 -6.772
116 1HD1 LEU 11 1HD1 LEU 11 17.064 -2.331 -4.202
117 2HD1 LEU 11 2HD1 LEU 11 17.735 -3.814 -4.880
118 3HD1 LEU 11 3HD1 LEU 11 18.811 -2.516 -4.362
119 1HD2 LEU 11 1HD2 LEU 11 16.047 -1.802 -7.413
120 2HD2 LEU 11 2HD2 LEU 11 16.801 -3.378 -7.648
121 3HD2 LEU 11 3HD2 LEU 11 15.860 -3.060 -6.191
122 H ILE 12 H ILE 12 17.924 1.923 -3.904
123 HA ILE 12 HA ILE 12 19.500 3.886 -5.443
124 HB ILE 12 HB ILE 12 17.500 5.220 -5.625
125 1HG1 ILE 12 1HG1 ILE 12 15.862 3.118 -4.267
126 2HG1 ILE 12 2HG1 ILE 12 16.753 4.237 -3.246
127 1HG2 ILE 12 1HG2 ILE 12 16.984 2.287 -6.184
128 2HG2 ILE 12 2HG2 ILE 12 16.020 3.611 -6.838
129 3HG2 ILE 12 3HG2 ILE 12 17.717 3.450 -7.290
130 1HD1 ILE 12 1HD1 ILE 12 15.733 5.949 -5.080
131 2HD1 ILE 12 2HD1 ILE 12 14.444 4.746 -5.008
132 3HD1 ILE 12 3HD1 ILE 12 14.953 5.584 -3.540
133 H GLU 13 H GLU 13 20.268 2.934 -2.898
134 HA GLU 13 HA GLU 13 19.260 4.289 -0.682
135 1HB GLU 13 1HB GLU 13 21.824 3.067 -1.492
136 2HB GLU 13 2HB GLU 13 21.843 4.086 -0.043
137 1HG GLU 13 1HG GLU 13 19.464 2.662 0.145
138 2HG GLU 13 2HG GLU 13 20.622 1.492 -0.441
Start of MODEL 6
1 1H TYR 1 1H TYR 1 5.609 1.355 3.080
2 2H TYR 1 2H TYR 1 5.172 0.211 4.253
3 3H TYR 1 3H TYR 1 4.472 1.759 4.274
4 HA TYR 1 HA TYR 1 6.512 2.777 4.902
5 1HB TYR 1 1HB TYR 1 6.402 0.254 6.552
6 2HB TYR 1 2HB TYR 1 6.524 1.927 7.103
7 HD1 TYR 1 HD1 TYR 1 4.533 3.265 7.441
8 HD2 TYR 1 HD2 TYR 1 4.286 -0.651 5.701
9 HE1 TYR 1 HE1 TYR 1 2.069 3.304 7.694
10 HE2 TYR 1 HE2 TYR 1 1.832 -0.616 5.950
11 HH TYR 1 HH TYR 1 0.087 0.474 6.852
12 H LEU 2 H LEU 2 8.107 0.147 6.220
13 HA LEU 2 HA LEU 2 10.419 0.451 4.749
14 1HB LEU 2 1HB LEU 2 9.204 -1.680 6.393
15 2HB LEU 2 2HB LEU 2 10.766 -1.971 5.619
16 HG LEU 2 HG LEU 2 10.970 0.606 6.593
17 1HD1 LEU 2 1HD1 LEU 2 9.512 -1.147 8.570
18 2HD1 LEU 2 2HD1 LEU 2 10.352 0.342 8.999
19 3HD1 LEU 2 3HD1 LEU 2 8.971 0.393 7.905
20 1HD2 LEU 2 1HD2 LEU 2 12.449 -1.626 6.673
21 2HD2 LEU 2 2HD2 LEU 2 12.771 -0.268 7.750
22 3HD2 LEU 2 3HD2 LEU 2 11.853 -1.656 8.334
23 H ARG 3 H ARG 3 7.494 -1.090 3.792
24 HA ARG 3 HA ARG 3 8.487 -2.976 1.937
25 1HB ARG 3 1HB ARG 3 6.038 -1.185 1.980
26 2HB ARG 3 2HB ARG 3 6.259 -2.477 0.795
27 1HG ARG 3 1HG ARG 3 6.101 -2.773 3.807
28 2HG ARG 3 2HG ARG 3 4.944 -3.372 2.617
29 1HD ARG 3 1HD ARG 3 6.158 -5.319 2.884
30 2HD ARG 3 2HD ARG 3 7.219 -4.546 1.690
31 HE ARG 3 HE ARG 3 8.538 -3.641 3.635
32 1HH1 ARG 3 1HH2 ARG 3 6.178 -4.690 5.464
33 2HH1 ARG 3 2HH2 ARG 3 7.018 -5.959 6.289
34 1HH2 ARG 3 1HH1 ARG 3 9.713 -5.957 4.106
35 2HH2 ARG 3 2HH1 ARG 3 9.021 -6.676 5.521
36 H ARG 4 H ARG 4 7.819 0.509 1.620
37 HA ARG 4 HA ARG 4 9.092 0.504 -1.022
38 1HB ARG 4 1HB ARG 4 8.044 2.618 -1.296
39 2HB ARG 4 2HB ARG 4 6.889 1.665 -0.367
40 1HG ARG 4 1HG ARG 4 8.631 2.831 1.523
41 2HG ARG 4 2HG ARG 4 8.229 4.109 0.380
42 1HD ARG 4 1HD ARG 4 5.967 4.060 0.914
43 2HD ARG 4 2HD ARG 4 6.016 2.352 1.399
44 HE ARG 4 HE ARG 4 7.544 3.270 3.326
45 1HH1 ARG 4 1HH1 ARG 4 4.494 4.309 2.230
46 2HH1 ARG 4 2HH1 ARG 4 4.315 5.545 3.429
47 1HH2 ARG 4 1HH2 ARG 4 7.511 5.143 4.707
48 2HH2 ARG 4 2HH2 ARG 4 6.024 6.022 4.825
49 H PHE 5 H PHE 5 9.845 1.317 2.246
50 HA PHE 5 HA PHE 5 11.961 3.170 1.693
51 1HB PHE 5 1HB PHE 5 11.257 3.525 3.798
52 2HB PHE 5 2HB PHE 5 10.445 1.988 3.854
53 HD1 PHE 5 HD1 PHE 5 12.126 -0.111 3.969
54 HD2 PHE 5 HD2 PHE 5 12.996 3.867 5.339
55 HE1 PHE 5 HE1 PHE 5 13.875 -1.014 5.497
56 HE2 PHE 5 HE2 PHE 5 14.743 2.969 6.856
57 HZ PHE 5 HZ PHE 5 15.182 0.529 6.934
58 H PHE 6 H PHE 6 11.551 -0.227 1.745
59 HA PHE 6 HA PHE 6 14.401 -0.830 2.161
60 1HB PHE 6 1HB PHE 6 12.232 -1.992 3.035
61 2HB PHE 6 2HB PHE 6 12.264 -2.772 1.463
62 HD1 PHE 6 HD1 PHE 6 15.524 -2.344 1.620
63 HD2 PHE 6 HD2 PHE 6 12.524 -4.384 3.915
64 HE1 PHE 6 HE1 PHE 6 17.240 -3.931 2.450
65 HE2 PHE 6 HE2 PHE 6 14.238 -5.970 4.748
66 HZ PHE 6 HZ PHE 6 16.597 -5.744 4.016
67 H LYS 7 H LYS 7 11.907 -1.620 -0.282
68 HA LYS 7 HA LYS 7 13.610 -2.582 -2.295
69 1HB LYS 7 1HB LYS 7 11.024 -2.493 -1.981
70 2HB LYS 7 2HB LYS 7 11.178 -0.967 -2.844
71 1HG LYS 7 1HG LYS 7 12.645 -2.420 -4.502
72 2HG LYS 7 2HG LYS 7 11.696 -3.741 -3.822
73 1HD LYS 7 1HD LYS 7 10.028 -1.442 -4.479
74 2HD LYS 7 2HD LYS 7 10.898 -2.046 -5.888
75 1HE LYS 7 1HE LYS 7 10.005 -4.274 -5.582
76 2HE LYS 7 2HE LYS 7 9.302 -3.825 -4.015
77 1HZ LYS 7 1HZ LYS 7 7.968 -2.148 -5.127
78 2HZ LYS 7 2HZ LYS 7 8.632 -2.580 -6.630
79 3HZ LYS 7 3HZ LYS 7 7.650 -3.678 -5.785
80 H ALA 8 H ALA 8 12.810 0.715 -1.360
81 HA ALA 8 HA ALA 8 13.842 1.998 -3.707
82 1HB ALA 8 1HB ALA 8 13.262 2.863 -0.865
83 2HB ALA 8 2HB ALA 8 13.761 3.993 -2.123
84 3HB ALA 8 3HB ALA 8 12.244 3.108 -2.283
85 H LYS 9 H LYS 9 15.202 2.918 -0.621
86 HA LYS 9 HA LYS 9 17.728 3.516 -1.253
87 1HB LYS 9 1HB LYS 9 16.315 2.416 1.037
88 2HB LYS 9 2HB LYS 9 18.015 1.938 1.051
89 1HG LYS 9 1HG LYS 9 18.672 4.023 1.599
90 2HG LYS 9 2HG LYS 9 17.720 4.728 0.292
91 1HD LYS 9 1HD LYS 9 16.456 5.604 1.966
92 2HD LYS 9 2HD LYS 9 15.758 3.986 2.059
93 1HE LYS 9 1HE LYS 9 17.587 3.391 3.717
94 2HE LYS 9 2HE LYS 9 18.014 5.114 3.748
95 1HZ LYS 9 1HZ LYS 9 15.607 5.559 4.175
96 2HZ LYS 9 2HZ LYS 9 15.393 3.892 4.418
97 3HZ LYS 9 3HZ LYS 9 16.411 4.774 5.448
98 H LYS 10 H LYS 10 16.718 0.104 -0.702
99 HA LYS 10 HA LYS 10 19.039 -1.316 -0.922
100 1HB LYS 10 1HB LYS 10 16.266 -1.624 -1.887
101 2HB LYS 10 2HB LYS 10 17.437 -2.666 -2.695
102 1HG LYS 10 1HG LYS 10 18.288 -3.151 -0.265
103 2HG LYS 10 2HG LYS 10 16.694 -2.568 0.213
104 1HD LYS 10 1HD LYS 10 16.429 -4.916 -0.058
105 2HD LYS 10 2HD LYS 10 15.749 -4.207 -1.524
106 1HE LYS 10 1HE LYS 10 17.370 -5.119 -2.851
107 2HE LYS 10 2HE LYS 10 18.650 -4.768 -1.674
108 1HZ LYS 10 1HZ LYS 10 16.581 -6.857 -1.272
109 2HZ LYS 10 2HZ LYS 10 18.117 -7.182 -1.915
110 3HZ LYS 10 3HZ LYS 10 17.969 -6.587 -0.330
111 H LEU 11 H LEU 11 17.285 -0.156 -3.835
112 HA LEU 11 HA LEU 11 19.687 -0.593 -5.467
113 1HB LEU 11 1HB LEU 11 16.768 -0.039 -5.915
114 2HB LEU 11 2HB LEU 11 17.916 0.096 -7.244
115 HG LEU 11 HG LEU 11 18.477 -2.193 -7.150
116 1HD1 LEU 11 1HD1 LEU 11 17.065 -2.311 -4.472
117 2HD1 LEU 11 2HD1 LEU 11 17.816 -3.678 -5.292
118 3HD1 LEU 11 3HD1 LEU 11 18.812 -2.342 -4.710
119 1HD2 LEU 11 1HD2 LEU 11 15.958 -1.472 -7.677
120 2HD2 LEU 11 2HD2 LEU 11 16.461 -3.162 -7.705
121 3HD2 LEU 11 3HD2 LEU 11 15.641 -2.510 -6.286
122 H ILE 12 H ILE 12 17.928 1.980 -3.970
123 HA ILE 12 HA ILE 12 19.552 4.009 -5.369
124 HB ILE 12 HB ILE 12 17.563 5.368 -5.490
125 1HG1 ILE 12 1HG1 ILE 12 15.948 3.143 -4.281
126 2HG1 ILE 12 2HG1 ILE 12 16.737 4.293 -3.212
127 1HG2 ILE 12 1HG2 ILE 12 17.871 3.645 -7.240
128 2HG2 ILE 12 2HG2 ILE 12 16.971 2.494 -6.252
129 3HG2 ILE 12 3HG2 ILE 12 16.160 3.916 -6.906
130 1HD1 ILE 12 1HD1 ILE 12 15.549 5.727 -5.372
131 2HD1 ILE 12 2HD1 ILE 12 14.330 4.662 -4.667
132 3HD1 ILE 12 3HD1 ILE 12 15.175 5.834 -3.652
133 H GLU 13 H GLU 13 20.311 2.939 -2.891
134 HA GLU 13 HA GLU 13 19.273 4.128 -0.597
135 1HB GLU 13 1HB GLU 13 21.886 3.053 -1.476
136 2HB GLU 13 2HB GLU 13 21.842 3.949 0.053
137 1HG GLU 13 1HG GLU 13 19.524 2.437 0.101
138 2HG GLU 13 2HG GLU 13 20.712 1.358 -0.593
Start of MODEL 7
1 1H TYR 1 1H TYR 1 5.598 1.124 3.170
2 2H TYR 1 2H TYR 1 5.189 -0.134 4.234
3 3H TYR 1 3H TYR 1 4.461 1.390 4.402
4 HA TYR 1 HA TYR 1 6.475 2.386 5.131
5 1HB TYR 1 1HB TYR 1 6.363 -0.335 6.449
6 2HB TYR 1 2HB TYR 1 6.614 1.239 7.214
7 HD1 TYR 1 HD1 TYR 1 4.151 -0.960 5.552
8 HD2 TYR 1 HD2 TYR 1 4.748 2.634 7.820
9 HE1 TYR 1 HE1 TYR 1 1.716 -0.780 5.892
10 HE2 TYR 1 HE2 TYR 1 2.302 2.814 8.169
11 HH TYR 1 HH TYR 1 0.282 2.029 7.503
12 H LEU 2 H LEU 2 8.128 -0.334 6.157
13 HA LEU 2 HA LEU 2 10.418 0.215 4.685
14 1HB LEU 2 1HB LEU 2 9.361 -2.101 6.196
15 2HB LEU 2 2HB LEU 2 10.948 -2.200 5.421
16 HG LEU 2 HG LEU 2 10.960 0.301 6.558
17 1HD1 LEU 2 1HD1 LEU 2 8.854 -0.981 7.778
18 2HD1 LEU 2 2HD1 LEU 2 10.181 -1.251 8.908
19 3HD1 LEU 2 3HD1 LEU 2 9.741 0.391 8.438
20 1HD2 LEU 2 1HD2 LEU 2 12.479 -1.988 6.651
21 2HD2 LEU 2 2HD2 LEU 2 12.833 -0.519 7.561
22 3HD2 LEU 2 3HD2 LEU 2 11.952 -1.841 8.327
23 H ARG 3 H ARG 3 7.549 -1.361 3.682
24 HA ARG 3 HA ARG 3 8.578 -3.096 1.701
25 1HB ARG 3 1HB ARG 3 6.063 -1.523 2.186
26 2HB ARG 3 2HB ARG 3 6.264 -2.340 0.636
27 1HG ARG 3 1HG ARG 3 5.132 -3.872 2.105
28 2HG ARG 3 2HG ARG 3 6.788 -4.449 1.916
29 1HD ARG 3 1HD ARG 3 6.245 -2.552 4.149
30 2HD ARG 3 2HD ARG 3 5.687 -4.225 4.334
31 HE ARG 3 HE ARG 3 8.494 -3.719 3.452
32 1HH1 ARG 3 1HH1 ARG 3 7.995 -3.401 6.428
33 2HH1 ARG 3 2HH1 ARG 3 8.350 -4.994 7.006
34 1HH2 ARG 3 1HH2 ARG 3 8.178 -6.460 3.871
35 2HH2 ARG 3 2HH2 ARG 3 8.453 -6.724 5.560
36 H ARG 4 H ARG 4 7.830 0.388 1.693
37 HA ARG 4 HA ARG 4 8.982 0.642 -0.993
38 1HB ARG 4 1HB ARG 4 7.815 2.668 -1.096
39 2HB ARG 4 2HB ARG 4 6.795 1.718 -0.020
40 1HG ARG 4 1HG ARG 4 8.664 2.857 1.699
41 2HG ARG 4 2HG ARG 4 8.331 4.142 0.542
42 1HD ARG 4 1HD ARG 4 6.116 4.336 1.193
43 2HD ARG 4 2HD ARG 4 5.998 2.624 1.653
44 HE ARG 4 HE ARG 4 7.424 3.174 3.642
45 1HH1 ARG 4 1HH1 ARG 4 6.941 5.946 1.769
46 2HH1 ARG 4 2HH1 ARG 4 6.549 6.983 3.101
47 1HH2 ARG 4 1HH2 ARG 4 6.482 4.413 5.426
48 2HH2 ARG 4 2HH2 ARG 4 6.294 6.116 5.170
49 H PHE 5 H PHE 5 9.848 1.232 2.303
50 HA PHE 5 HA PHE 5 11.935 3.126 1.787
51 1HB PHE 5 1HB PHE 5 11.288 3.382 3.928
52 2HB PHE 5 2HB PHE 5 10.465 1.847 3.922
53 HD1 PHE 5 HD1 PHE 5 12.082 -0.266 3.922
54 HD2 PHE 5 HD2 PHE 5 13.101 3.633 5.408
55 HE1 PHE 5 HE1 PHE 5 13.856 -1.271 5.351
56 HE2 PHE 5 HE2 PHE 5 14.875 2.634 6.831
57 HZ PHE 5 HZ PHE 5 15.253 0.181 6.800
58 H PHE 6 H PHE 6 11.571 -0.277 1.730
59 HA PHE 6 HA PHE 6 14.436 -0.844 2.071
60 1HB PHE 6 1HB PHE 6 12.298 -2.078 2.933
61 2HB PHE 6 2HB PHE 6 12.343 -2.811 1.337
62 HD1 PHE 6 HD1 PHE 6 13.223 -4.977 1.506
63 HD2 PHE 6 HD2 PHE 6 15.047 -1.761 3.695
64 HE1 PHE 6 HE1 PHE 6 15.027 -6.507 2.252
65 HE2 PHE 6 HE2 PHE 6 16.850 -3.291 4.441
66 HZ PHE 6 HZ PHE 6 16.840 -5.664 3.719
67 H LYS 7 H LYS 7 11.929 -1.650 -0.346
68 HA LYS 7 HA LYS 7 13.609 -2.535 -2.397
69 1HB LYS 7 1HB LYS 7 11.024 -2.446 -2.045
70 2HB LYS 7 2HB LYS 7 11.174 -0.914 -2.896
71 1HG LYS 7 1HG LYS 7 11.999 -1.925 -4.856
72 2HG LYS 7 2HG LYS 7 12.437 -3.405 -4.003
73 1HD LYS 7 1HD LYS 7 10.476 -4.046 -5.102
74 2HD LYS 7 2HD LYS 7 9.867 -3.571 -3.516
75 1HE LYS 7 1HE LYS 7 9.594 -1.200 -4.581
76 2HE LYS 7 2HE LYS 7 9.687 -2.071 -6.125
77 1HZ LYS 7 1HZ LYS 7 8.065 -3.687 -4.901
78 2HZ LYS 7 2HZ LYS 7 7.698 -2.309 -3.978
79 3HZ LYS 7 3HZ LYS 7 7.467 -2.288 -5.657
80 H ALA 8 H ALA 8 12.858 0.724 -1.333
81 HA ALA 8 HA ALA 8 13.875 2.058 -3.671
82 1HB ALA 8 1HB ALA 8 12.935 2.720 -0.924
83 2HB ALA 8 2HB ALA 8 13.944 3.921 -1.731
84 3HB ALA 8 3HB ALA 8 12.431 3.400 -2.471
85 H LYS 9 H LYS 9 15.206 2.935 -0.560
86 HA LYS 9 HA LYS 9 17.740 3.523 -1.159
87 1HB LYS 9 1HB LYS 9 16.314 2.334 1.105
88 2HB LYS 9 2HB LYS 9 18.044 1.976 1.136
89 1HG LYS 9 1HG LYS 9 18.499 4.080 1.795
90 2HG LYS 9 2HG LYS 9 17.659 4.729 0.386
91 1HD LYS 9 1HD LYS 9 16.288 5.609 2.003
92 2HD LYS 9 2HD LYS 9 15.522 4.025 1.872
93 1HE LYS 9 1HE LYS 9 17.591 3.548 3.658
94 2HE LYS 9 2HE LYS 9 17.031 5.170 4.114
95 1HZ LYS 9 1HZ LYS 9 14.709 4.016 3.647
96 2HZ LYS 9 2HZ LYS 9 15.576 2.637 4.119
97 3HZ LYS 9 3HZ LYS 9 15.449 3.962 5.176
98 H LYS 10 H LYS 10 16.696 0.126 -0.634
99 HA LYS 10 HA LYS 10 18.973 -1.348 -0.865
100 1HB LYS 10 1HB LYS 10 16.242 -1.570 -2.071
101 2HB LYS 10 2HB LYS 10 17.455 -2.766 -2.528
102 1HG LYS 10 1HG LYS 10 17.050 -2.099 0.375
103 2HG LYS 10 2HG LYS 10 15.942 -3.212 -0.429
104 1HD LYS 10 1HD LYS 10 17.562 -4.696 0.327
105 2HD LYS 10 2HD LYS 10 18.182 -4.328 -1.283
106 1HE LYS 10 1HE LYS 10 19.885 -2.950 -0.460
107 2HE LYS 10 2HE LYS 10 19.014 -2.613 1.050
108 1HZ LYS 10 1HZ LYS 10 19.174 -5.137 1.397
109 2HZ LYS 10 2HZ LYS 10 20.420 -5.082 0.244
110 3HZ LYS 10 3HZ LYS 10 20.562 -4.202 1.687
111 H LEU 11 H LEU 11 17.270 -0.162 -3.811
112 HA LEU 11 HA LEU 11 19.740 -0.609 -5.354
113 1HB LEU 11 1HB LEU 11 17.143 0.325 -6.508
114 2HB LEU 11 2HB LEU 11 18.334 -0.773 -7.201
115 HG LEU 11 HG LEU 11 16.364 -1.364 -4.977
116 1HD1 LEU 11 1HD1 LEU 11 15.625 -1.467 -7.385
117 2HD1 LEU 11 2HD1 LEU 11 16.837 -2.724 -7.637
118 3HD1 LEU 11 3HD1 LEU 11 15.498 -3.000 -6.521
119 1HD2 LEU 11 1HD2 LEU 11 18.852 -2.311 -4.838
120 2HD2 LEU 11 2HD2 LEU 11 17.471 -3.347 -4.486
121 3HD2 LEU 11 3HD2 LEU 11 18.251 -3.422 -6.066
122 H ILE 12 H ILE 12 17.937 1.953 -3.949
123 HA ILE 12 HA ILE 12 19.503 3.974 -5.422
124 HB ILE 12 HB ILE 12 17.501 5.304 -5.546
125 1HG1 ILE 12 1HG1 ILE 12 15.872 3.155 -4.250
126 2HG1 ILE 12 2HG1 ILE 12 16.770 4.241 -3.198
127 1HG2 ILE 12 1HG2 ILE 12 17.850 2.874 -6.823
128 2HG2 ILE 12 2HG2 ILE 12 16.210 2.753 -6.189
129 3HG2 ILE 12 3HG2 ILE 12 16.647 4.088 -7.257
130 1HD1 ILE 12 1HD1 ILE 12 15.795 6.114 -4.721
131 2HD1 ILE 12 2HD1 ILE 12 14.593 4.897 -5.149
132 3HD1 ILE 12 3HD1 ILE 12 14.772 5.406 -3.468
133 H GLU 13 H GLU 13 20.279 2.929 -2.909
134 HA GLU 13 HA GLU 13 19.280 4.227 -0.653
135 1HB GLU 13 1HB GLU 13 21.841 3.016 -1.497
136 2HB GLU 13 2HB GLU 13 21.864 3.995 -0.021
137 1HG GLU 13 1HG GLU 13 19.479 2.572 0.118
138 2HG GLU 13 2HG GLU 13 20.645 1.417 -0.482
Start of MODEL 8
1 1H TYR 1 1H TYR 1 5.798 1.231 3.592
2 2H TYR 1 2H TYR 1 5.374 0.054 4.741
3 3H TYR 1 3H TYR 1 4.713 1.616 4.837
4 HA TYR 1 HA TYR 1 6.759 2.566 5.474
5 1HB TYR 1 1HB TYR 1 6.867 -0.027 6.973
6 2HB TYR 1 2HB TYR 1 6.796 1.618 7.607
7 HD1 TYR 1 HD1 TYR 1 4.902 -1.260 6.388
8 HD2 TYR 1 HD2 TYR 1 4.616 2.791 7.779
9 HE1 TYR 1 HE1 TYR 1 2.467 -1.545 6.699
10 HE2 TYR 1 HE2 TYR 1 2.172 2.507 8.095
11 HH TYR 1 HH TYR 1 0.359 1.074 7.227
12 H LEU 2 H LEU 2 8.560 0.046 6.577
13 HA LEU 2 HA LEU 2 10.717 0.442 4.914
14 1HB LEU 2 1HB LEU 2 9.736 -1.767 6.617
15 2HB LEU 2 2HB LEU 2 11.242 -1.971 5.712
16 HG LEU 2 HG LEU 2 11.433 0.586 6.711
17 1HD1 LEU 2 1HD1 LEU 2 9.692 -1.031 8.426
18 2HD1 LEU 2 2HD1 LEU 2 11.062 -0.313 9.274
19 3HD1 LEU 2 3HD1 LEU 2 9.937 0.715 8.388
20 1HD2 LEU 2 1HD2 LEU 2 12.946 -1.655 6.692
21 2HD2 LEU 2 2HD2 LEU 2 13.353 -0.245 7.670
22 3HD2 LEU 2 3HD2 LEU 2 12.514 -1.613 8.401
23 H ARG 3 H ARG 3 7.785 -1.219 4.190
24 HA ARG 3 HA ARG 3 8.665 -3.060 2.253
25 1HB ARG 3 1HB ARG 3 6.207 -1.269 2.304
26 2HB ARG 3 2HB ARG 3 6.369 -2.735 1.332
27 1HG ARG 3 1HG ARG 3 6.353 -2.534 4.355
28 2HG ARG 3 2HG ARG 3 5.164 -3.339 3.331
29 1HD ARG 3 1HD ARG 3 6.438 -5.186 3.910
30 2HD ARG 3 2HD ARG 3 7.387 -4.643 2.511
31 HE ARG 3 HE ARG 3 8.960 -3.589 4.032
32 1HH1 ARG 3 1HH2 ARG 3 8.379 -6.379 5.236
33 2HH1 ARG 3 2HH2 ARG 3 8.243 -5.972 6.914
34 1HH2 ARG 3 1HH1 ARG 3 7.927 -2.569 6.336
35 2HH2 ARG 3 2HH1 ARG 3 7.992 -3.816 7.536
36 H ARG 4 H ARG 4 7.915 0.417 1.983
37 HA ARG 4 HA ARG 4 8.992 0.440 -0.745
38 1HB ARG 4 1HB ARG 4 8.082 2.747 -0.755
39 2HB ARG 4 2HB ARG 4 6.868 1.576 -0.236
40 1HG ARG 4 1HG ARG 4 6.640 2.688 1.700
41 2HG ARG 4 2HG ARG 4 8.331 2.348 2.068
42 1HD ARG 4 1HD ARG 4 8.480 4.418 0.205
43 2HD ARG 4 2HD ARG 4 7.113 4.868 1.245
44 HE ARG 4 HE ARG 4 9.136 3.894 2.956
45 1HH1 ARG 4 1HH1 ARG 4 8.618 6.460 0.699
46 2HH1 ARG 4 2HH1 ARG 4 9.679 7.560 1.512
47 1HH2 ARG 4 1HH2 ARG 4 10.528 5.318 4.015
48 2HH2 ARG 4 2HH2 ARG 4 10.766 6.912 3.381
49 H PHE 5 H PHE 5 9.931 1.324 2.472
50 HA PHE 5 HA PHE 5 11.984 3.179 1.743
51 1HB PHE 5 1HB PHE 5 11.440 3.540 3.895
52 2HB PHE 5 2HB PHE 5 10.670 1.984 4.027
53 HD1 PHE 5 HD1 PHE 5 12.364 -0.080 4.050
54 HD2 PHE 5 HD2 PHE 5 13.329 3.935 5.240
55 HE1 PHE 5 HE1 PHE 5 14.258 -0.936 5.423
56 HE2 PHE 5 HE2 PHE 5 15.220 3.082 6.602
57 HZ PHE 5 HZ PHE 5 15.686 0.647 6.692
58 H PHE 6 H PHE 6 11.633 -0.214 1.773
59 HA PHE 6 HA PHE 6 14.514 -0.780 1.997
60 1HB PHE 6 1HB PHE 6 12.439 -1.996 2.990
61 2HB PHE 6 2HB PHE 6 12.343 -2.717 1.394
62 HD1 PHE 6 HD1 PHE 6 12.757 -4.549 3.565
63 HD2 PHE 6 HD2 PHE 6 15.661 -2.163 1.481
64 HE1 PHE 6 HE1 PHE 6 14.531 -6.165 4.185
65 HE2 PHE 6 HE2 PHE 6 17.434 -3.781 2.102
66 HZ PHE 6 HZ PHE 6 16.869 -5.782 3.454
67 H LYS 7 H LYS 7 11.921 -1.762 -0.247
68 HA LYS 7 HA LYS 7 13.413 -2.613 -2.414
69 1HB LYS 7 1HB LYS 7 10.953 -2.679 -2.116
70 2HB LYS 7 2HB LYS 7 10.918 -0.951 -2.437
71 1HG LYS 7 1HG LYS 7 11.625 -1.228 -4.684
72 2HG LYS 7 2HG LYS 7 12.136 -2.891 -4.394
73 1HD LYS 7 1HD LYS 7 9.989 -3.718 -4.504
74 2HD LYS 7 2HD LYS 7 9.275 -2.237 -3.865
75 1HE LYS 7 1HE LYS 7 8.666 -2.442 -6.225
76 2HE LYS 7 2HE LYS 7 9.832 -1.112 -6.062
77 1HZ LYS 7 1HZ LYS 7 11.526 -3.083 -6.314
78 2HZ LYS 7 2HZ LYS 7 10.233 -3.810 -7.139
79 3HZ LYS 7 3HZ LYS 7 10.859 -2.326 -7.682
80 H ALA 8 H ALA 8 12.868 0.693 -1.329
81 HA ALA 8 HA ALA 8 13.868 1.906 -3.763
82 1HB ALA 8 1HB ALA 8 12.891 2.740 -1.074
83 2HB ALA 8 2HB ALA 8 13.904 3.886 -1.950
84 3HB ALA 8 3HB ALA 8 12.398 3.313 -2.667
85 H LYS 9 H LYS 9 15.148 2.898 -0.654
86 HA LYS 9 HA LYS 9 17.674 3.521 -1.217
87 1HB LYS 9 1HB LYS 9 16.233 2.356 1.035
88 2HB LYS 9 2HB LYS 9 17.952 1.956 1.084
89 1HG LYS 9 1HG LYS 9 18.426 4.038 1.787
90 2HG LYS 9 2HG LYS 9 17.696 4.704 0.327
91 1HD LYS 9 1HD LYS 9 15.556 3.872 1.990
92 2HD LYS 9 2HD LYS 9 16.682 4.758 3.019
93 1HE LYS 9 1HE LYS 9 16.127 5.965 0.351
94 2HE LYS 9 2HE LYS 9 14.809 6.019 1.537
95 1HZ LYS 9 1HZ LYS 9 17.282 6.549 2.807
96 2HZ LYS 9 2HZ LYS 9 17.088 7.607 1.494
97 3HZ LYS 9 3HZ LYS 9 15.903 7.537 2.710
98 H LYS 10 H LYS 10 16.712 0.092 -0.674
99 HA LYS 10 HA LYS 10 19.051 -1.294 -0.864
100 1HB LYS 10 1HB LYS 10 16.584 -2.055 -0.944
101 2HB LYS 10 2HB LYS 10 16.739 -1.934 -2.698
102 1HG LYS 10 1HG LYS 10 17.293 -4.185 -2.233
103 2HG LYS 10 2HG LYS 10 18.857 -3.389 -2.417
104 1HD LYS 10 1HD LYS 10 18.888 -3.065 0.089
105 2HD LYS 10 2HD LYS 10 17.455 -4.090 0.175
106 1HE LYS 10 1HE LYS 10 18.952 -5.739 -1.283
107 2HE LYS 10 2HE LYS 10 20.274 -4.838 -0.513
108 1HZ LYS 10 1HZ LYS 10 18.048 -5.550 1.212
109 2HZ LYS 10 2HZ LYS 10 18.995 -6.853 0.681
110 3HZ LYS 10 3HZ LYS 10 19.716 -5.569 1.529
111 H LEU 11 H LEU 11 17.322 -0.208 -3.826
112 HA LEU 11 HA LEU 11 19.773 -0.591 -5.391
113 1HB LEU 11 1HB LEU 11 16.846 -0.162 -5.900
114 2HB LEU 11 2HB LEU 11 18.007 0.018 -7.213
115 HG LEU 11 HG LEU 11 18.615 -2.231 -7.160
116 1HD1 LEU 11 1HD1 LEU 11 19.092 -2.274 -4.703
117 2HD1 LEU 11 2HD1 LEU 11 17.367 -2.503 -4.413
118 3HD1 LEU 11 3HD1 LEU 11 18.288 -3.735 -5.277
119 1HD2 LEU 11 1HD2 LEU 11 16.063 -1.709 -7.578
120 2HD2 LEU 11 2HD2 LEU 11 16.621 -3.378 -7.492
121 3HD2 LEU 11 3HD2 LEU 11 15.847 -2.635 -6.094
122 H ILE 12 H ILE 12 17.953 1.957 -3.942
123 HA ILE 12 HA ILE 12 19.539 4.000 -5.367
124 HB ILE 12 HB ILE 12 17.534 5.334 -5.494
125 1HG1 ILE 12 1HG1 ILE 12 15.905 3.131 -4.280
126 2HG1 ILE 12 2HG1 ILE 12 16.753 4.225 -3.196
127 1HG2 ILE 12 1HG2 ILE 12 17.858 3.584 -7.219
128 2HG2 ILE 12 2HG2 ILE 12 16.946 2.451 -6.221
129 3HG2 ILE 12 3HG2 ILE 12 16.148 3.870 -6.900
130 1HD1 ILE 12 1HD1 ILE 12 15.717 5.974 -5.008
131 2HD1 ILE 12 2HD1 ILE 12 14.448 4.750 -4.941
132 3HD1 ILE 12 3HD1 ILE 12 14.958 5.573 -3.466
133 H GLU 13 H GLU 13 20.296 2.943 -2.867
134 HA GLU 13 HA GLU 13 19.231 4.178 -0.606
135 1HB GLU 13 1HB GLU 13 21.843 3.042 -1.415
136 2HB GLU 13 2HB GLU 13 21.795 3.977 0.089
137 1HG GLU 13 1HG GLU 13 19.449 2.508 0.144
138 2HG GLU 13 2HG GLU 13 20.628 1.390 -0.503
Start of MODEL 9
1 1H TYR 1 1H TYR 1 5.640 1.498 3.410
2 2H TYR 1 2H TYR 1 5.235 0.392 4.633
3 3H TYR 1 3H TYR 1 4.577 1.959 4.649
4 HA TYR 1 HA TYR 1 6.662 2.938 5.162
5 1HB TYR 1 1HB TYR 1 6.574 0.427 6.832
6 2HB TYR 1 2HB TYR 1 6.809 2.095 7.365
7 HD1 TYR 1 HD1 TYR 1 4.917 3.523 7.827
8 HD2 TYR 1 HD2 TYR 1 4.365 -0.371 6.112
9 HE1 TYR 1 HE1 TYR 1 2.478 3.685 8.238
10 HE2 TYR 1 HE2 TYR 1 1.937 -0.213 6.517
11 HH TYR 1 HH TYR 1 0.420 2.745 7.481
12 H LEU 2 H LEU 2 8.287 0.320 6.444
13 HA LEU 2 HA LEU 2 10.524 0.567 4.856
14 1HB LEU 2 1HB LEU 2 9.379 -1.542 6.582
15 2HB LEU 2 2HB LEU 2 10.913 -1.829 5.751
16 HG LEU 2 HG LEU 2 11.151 0.753 6.688
17 1HD1 LEU 2 1HD1 LEU 2 9.315 -0.786 8.392
18 2HD1 LEU 2 2HD1 LEU 2 10.661 -0.040 9.255
19 3HD1 LEU 2 3HD1 LEU 2 9.573 0.954 8.287
20 1HD2 LEU 2 1HD2 LEU 2 12.624 -1.486 6.761
21 2HD2 LEU 2 2HD2 LEU 2 12.987 -0.106 7.797
22 3HD2 LEU 2 3HD2 LEU 2 12.086 -1.479 8.440
23 H ARG 3 H ARG 3 7.548 -0.983 4.089
24 HA ARG 3 HA ARG 3 8.433 -2.900 2.208
25 1HB ARG 3 1HB ARG 3 5.994 -1.100 2.344
26 2HB ARG 3 2HB ARG 3 6.144 -2.443 1.203
27 1HG ARG 3 1HG ARG 3 6.108 -2.584 4.229
28 2HG ARG 3 2HG ARG 3 4.956 -3.303 3.103
29 1HD ARG 3 1HD ARG 3 6.264 -5.175 3.504
30 2HD ARG 3 2HD ARG 3 7.224 -4.464 2.193
31 HE ARG 3 HE ARG 3 8.763 -3.575 3.847
32 1HH1 ARG 3 1HH1 ARG 3 6.988 -2.952 6.104
33 2HH1 ARG 3 2HH1 ARG 3 7.328 -4.219 7.236
34 1HH2 ARG 3 1HH2 ARG 3 8.846 -6.272 4.888
35 2HH2 ARG 3 2HH2 ARG 3 8.377 -6.100 6.547
36 H ARG 4 H ARG 4 7.746 0.580 1.870
37 HA ARG 4 HA ARG 4 8.862 0.532 -0.841
38 1HB ARG 4 1HB ARG 4 7.778 2.613 -1.101
39 2HB ARG 4 2HB ARG 4 6.710 1.725 -0.016
40 1HG ARG 4 1HG ARG 4 8.599 2.933 1.668
41 2HG ARG 4 2HG ARG 4 8.193 4.169 0.479
42 1HD ARG 4 1HD ARG 4 5.985 4.290 1.162
43 2HD ARG 4 2HD ARG 4 5.948 2.593 1.685
44 HE ARG 4 HE ARG 4 7.573 3.389 3.541
45 1HH1 ARG 4 1HH2 ARG 4 7.702 6.239 2.828
46 2HH1 ARG 4 2HH2 ARG 4 6.455 6.947 3.801
47 1HH2 ARG 4 1HH1 ARG 4 4.881 3.927 4.451
48 2HH2 ARG 4 2HH1 ARG 4 4.861 5.638 4.721
49 H PHE 5 H PHE 5 9.821 1.357 2.359
50 HA PHE 5 HA PHE 5 11.914 3.190 1.656
51 1HB PHE 5 1HB PHE 5 11.311 3.601 3.785
52 2HB PHE 5 2HB PHE 5 10.500 2.070 3.918
53 HD1 PHE 5 HD1 PHE 5 13.145 3.971 5.212
54 HD2 PHE 5 HD2 PHE 5 12.159 -0.033 4.009
55 HE1 PHE 5 HE1 PHE 5 14.962 3.097 6.659
56 HE2 PHE 5 HE2 PHE 5 13.980 -0.913 5.464
57 HZ PHE 5 HZ PHE 5 15.379 0.653 6.786
58 H PHE 6 H PHE 6 11.477 -0.193 1.732
59 HA PHE 6 HA PHE 6 14.302 -0.858 2.140
60 1HB PHE 6 1HB PHE 6 12.178 -2.035 2.969
61 2HB PHE 6 2HB PHE 6 12.062 -2.654 1.333
62 HD1 PHE 6 HD1 PHE 6 15.430 -2.283 1.622
63 HD2 PHE 6 HD2 PHE 6 12.277 -4.686 3.280
64 HE1 PHE 6 HE1 PHE 6 17.070 -4.056 2.176
65 HE2 PHE 6 HE2 PHE 6 13.921 -6.458 3.833
66 HZ PHE 6 HZ PHE 6 16.316 -6.143 3.281
67 H LYS 7 H LYS 7 11.953 -1.860 -0.361
68 HA LYS 7 HA LYS 7 13.718 -2.605 -2.362
69 1HB LYS 7 1HB LYS 7 11.147 -2.648 -2.176
70 2HB LYS 7 2HB LYS 7 11.236 -1.036 -2.875
71 1HG LYS 7 1HG LYS 7 11.736 -1.822 -4.938
72 2HG LYS 7 2HG LYS 7 12.889 -2.992 -4.295
73 1HD LYS 7 1HD LYS 7 10.723 -4.225 -3.447
74 2HD LYS 7 2HD LYS 7 9.931 -3.286 -4.712
75 1HE LYS 7 1HE LYS 7 10.546 -5.183 -5.925
76 2HE LYS 7 2HE LYS 7 11.992 -4.182 -6.165
77 1HZ LYS 7 1HZ LYS 7 12.471 -5.281 -3.765
78 2HZ LYS 7 2HZ LYS 7 11.640 -6.547 -4.530
79 3HZ LYS 7 3HZ LYS 7 13.052 -5.914 -5.230
80 H ALA 8 H ALA 8 12.840 0.635 -1.321
81 HA ALA 8 HA ALA 8 13.864 2.032 -3.598
82 1HB ALA 8 1HB ALA 8 13.168 2.699 -0.743
83 2HB ALA 8 2HB ALA 8 13.862 3.922 -1.809
84 3HB ALA 8 3HB ALA 8 12.320 3.169 -2.216
85 H LYS 9 H LYS 9 15.260 2.894 -0.517
86 HA LYS 9 HA LYS 9 17.774 3.507 -1.166
87 1HB LYS 9 1HB LYS 9 16.412 2.289 1.120
88 2HB LYS 9 2HB LYS 9 18.141 1.927 1.104
89 1HG LYS 9 1HG LYS 9 18.564 4.001 1.867
90 2HG LYS 9 2HG LYS 9 17.840 4.673 0.405
91 1HD LYS 9 1HD LYS 9 15.569 4.251 1.572
92 2HD LYS 9 2HD LYS 9 16.514 4.086 3.051
93 1HE LYS 9 1HE LYS 9 17.307 6.331 2.924
94 2HE LYS 9 2HE LYS 9 16.786 6.498 1.236
95 1HZ LYS 9 1HZ LYS 9 14.938 5.914 3.486
96 2HZ LYS 9 2HZ LYS 9 15.208 7.475 2.879
97 3HZ LYS 9 3HZ LYS 9 14.517 6.285 1.882
98 H LYS 10 H LYS 10 16.753 0.107 -0.671
99 HA LYS 10 HA LYS 10 19.026 -1.366 -0.940
100 1HB LYS 10 1HB LYS 10 16.525 -2.012 -0.997
101 2HB LYS 10 2HB LYS 10 16.656 -1.849 -2.748
102 1HG LYS 10 1HG LYS 10 17.366 -3.997 -2.739
103 2HG LYS 10 2HG LYS 10 18.883 -3.363 -2.098
104 1HD LYS 10 1HD LYS 10 17.922 -3.587 0.213
105 2HD LYS 10 2HD LYS 10 16.525 -4.396 -0.499
106 1HE LYS 10 1HE LYS 10 18.623 -5.779 -1.641
107 2HE LYS 10 2HE LYS 10 19.226 -5.450 -0.004
108 1HZ LYS 10 1HZ LYS 10 16.975 -6.144 0.806
109 2HZ LYS 10 2HZ LYS 10 16.649 -6.714 -0.762
110 3HZ LYS 10 3HZ LYS 10 17.910 -7.400 0.143
111 H LEU 11 H LEU 11 17.285 -0.153 -3.845
112 HA LEU 11 HA LEU 11 19.735 -0.541 -5.435
113 1HB LEU 11 1HB LEU 11 17.084 0.361 -6.504
114 2HB LEU 11 2HB LEU 11 18.286 -0.678 -7.265
115 HG LEU 11 HG LEU 11 16.373 -1.384 -5.031
116 1HD1 LEU 11 1HD1 LEU 11 16.535 -1.832 -7.894
117 2HD1 LEU 11 2HD1 LEU 11 16.467 -3.357 -7.013
118 3HD1 LEU 11 3HD1 LEU 11 15.198 -2.153 -6.789
119 1HD2 LEU 11 1HD2 LEU 11 19.059 -2.334 -5.449
120 2HD2 LEU 11 2HD2 LEU 11 17.890 -2.842 -4.229
121 3HD2 LEU 11 3HD2 LEU 11 17.922 -3.635 -5.803
122 H ILE 12 H ILE 12 17.924 1.962 -3.947
123 HA ILE 12 HA ILE 12 19.430 4.039 -5.407
124 HB ILE 12 HB ILE 12 17.406 5.341 -5.459
125 1HG1 ILE 12 1HG1 ILE 12 15.833 3.149 -4.175
126 2HG1 ILE 12 2HG1 ILE 12 16.747 4.210 -3.115
127 1HG2 ILE 12 1HG2 ILE 12 16.849 2.439 -6.143
128 2HG2 ILE 12 2HG2 ILE 12 15.935 3.820 -6.749
129 3HG2 ILE 12 3HG2 ILE 12 17.626 3.615 -7.203
130 1HD1 ILE 12 1HD1 ILE 12 15.537 5.862 -5.052
131 2HD1 ILE 12 2HD1 ILE 12 14.286 4.757 -4.480
132 3HD1 ILE 12 3HD1 ILE 12 15.161 5.770 -3.331
133 H GLU 13 H GLU 13 20.288 2.944 -2.955
134 HA GLU 13 HA GLU 13 19.330 4.141 -0.627
135 1HB GLU 13 1HB GLU 13 21.875 2.996 -1.591
136 2HB GLU 13 2HB GLU 13 21.946 3.940 -0.092
137 1HG GLU 13 1HG GLU 13 19.583 2.478 0.103
138 2HG GLU 13 2HG GLU 13 20.739 1.356 -0.571
Start of MODEL 10
1 1H TYR 1 1H TYR 1 5.792 1.427 3.519
2 2H TYR 1 2H TYR 1 5.403 0.238 4.663
3 3H TYR 1 3H TYR 1 4.737 1.795 4.799
4 HA TYR 1 HA TYR 1 6.820 2.748 5.360
5 1HB TYR 1 1HB TYR 1 6.793 0.134 6.859
6 2HB TYR 1 2HB TYR 1 6.976 1.770 7.498
7 HD1 TYR 1 HD1 TYR 1 5.045 3.098 8.072
8 HD2 TYR 1 HD2 TYR 1 4.597 -0.686 6.097
9 HE1 TYR 1 HE1 TYR 1 2.607 3.151 8.515
10 HE2 TYR 1 HE2 TYR 1 2.168 -0.634 6.534
11 HH TYR 1 HH TYR 1 0.421 0.912 7.034
12 H LEU 2 H LEU 2 8.520 0.129 6.472
13 HA LEU 2 HA LEU 2 10.698 0.490 4.818
14 1HB LEU 2 1HB LEU 2 9.675 -1.719 6.504
15 2HB LEU 2 2HB LEU 2 11.201 -1.909 5.631
16 HG LEU 2 HG LEU 2 11.384 0.634 6.653
17 1HD1 LEU 2 1HD1 LEU 2 9.324 -0.553 8.078
18 2HD1 LEU 2 2HD1 LEU 2 10.726 -0.744 9.130
19 3HD1 LEU 2 3HD1 LEU 2 10.252 0.861 8.574
20 1HD2 LEU 2 1HD2 LEU 2 12.811 -1.716 6.754
21 2HD2 LEU 2 2HD2 LEU 2 13.287 -0.226 7.570
22 3HD2 LEU 2 3HD2 LEU 2 12.403 -1.473 8.452
23 H ARG 3 H ARG 3 7.735 -1.109 4.092
24 HA ARG 3 HA ARG 3 8.586 -2.948 2.139
25 1HB ARG 3 1HB ARG 3 6.167 -1.297 2.748
26 2HB ARG 3 2HB ARG 3 6.234 -2.085 1.172
27 1HG ARG 3 1HG ARG 3 5.145 -3.585 2.728
28 2HG ARG 3 2HG ARG 3 6.732 -4.241 2.331
29 1HD ARG 3 1HD ARG 3 6.564 -2.402 4.667
30 2HD ARG 3 2HD ARG 3 5.932 -4.047 4.868
31 HE ARG 3 HE ARG 3 8.715 -3.455 3.919
32 1HH1 ARG 3 1HH1 ARG 3 7.874 -4.365 6.776
33 2HH1 ARG 3 2HH1 ARG 3 8.316 -6.037 6.701
34 1HH2 ARG 3 1HH2 ARG 3 8.636 -6.072 3.248
35 2HH2 ARG 3 2HH2 ARG 3 8.751 -7.003 4.704
36 H ARG 4 H ARG 4 7.887 0.542 1.927
37 HA ARG 4 HA ARG 4 8.939 0.581 -0.808
38 1HB ARG 4 1HB ARG 4 7.851 2.677 -0.981
39 2HB ARG 4 2HB ARG 4 6.793 1.730 0.064
40 1HG ARG 4 1HG ARG 4 8.695 2.896 1.781
41 2HG ARG 4 2HG ARG 4 8.226 4.173 0.661
42 1HD ARG 4 1HD ARG 4 6.036 4.208 1.414
43 2HD ARG 4 2HD ARG 4 6.048 2.483 1.834
44 HE ARG 4 HE ARG 4 7.798 3.305 3.641
45 1HH1 ARG 4 1HH1 ARG 4 4.553 3.960 3.265
46 2HH1 ARG 4 2HH1 ARG 4 4.501 5.285 4.380
47 1HH2 ARG 4 1HH2 ARG 4 7.945 5.446 4.759
48 2HH2 ARG 4 2HH2 ARG 4 6.422 6.127 5.226
49 H PHE 5 H PHE 5 9.941 1.380 2.403
50 HA PHE 5 HA PHE 5 12.015 3.223 1.681
51 1HB PHE 5 1HB PHE 5 11.455 3.604 3.826
52 2HB PHE 5 2HB PHE 5 10.665 2.059 3.962
53 HD1 PHE 5 HD1 PHE 5 13.358 3.981 5.168
54 HD2 PHE 5 HD2 PHE 5 12.315 -0.025 4.018
55 HE1 PHE 5 HE1 PHE 5 15.222 3.106 6.554
56 HE2 PHE 5 HE2 PHE 5 14.182 -0.906 5.415
57 HZ PHE 5 HZ PHE 5 15.633 0.662 6.677
58 H PHE 6 H PHE 6 11.614 -0.166 1.740
59 HA PHE 6 HA PHE 6 14.485 -0.761 2.004
60 1HB PHE 6 1HB PHE 6 12.382 -1.956 2.989
61 2HB PHE 6 2HB PHE 6 12.322 -2.708 1.403
62 HD1 PHE 6 HD1 PHE 6 15.022 -3.163 0.611
63 HD2 PHE 6 HD2 PHE 6 13.316 -3.431 4.544
64 HE1 PHE 6 HE1 PHE 6 16.822 -4.729 1.284
65 HE2 PHE 6 HE2 PHE 6 15.116 -4.998 5.217
66 HZ PHE 6 HZ PHE 6 16.870 -5.647 3.588
67 H LYS 7 H LYS 7 11.912 -1.745 -0.275
68 HA LYS 7 HA LYS 7 13.480 -2.614 -2.389
69 1HB LYS 7 1HB LYS 7 11.201 -2.951 -2.602
70 2HB LYS 7 2HB LYS 7 10.832 -1.317 -2.068
71 1HG LYS 7 1HG LYS 7 11.411 -0.376 -4.183
72 2HG LYS 7 2HG LYS 7 12.193 -1.870 -4.706
73 1HD LYS 7 1HD LYS 7 9.235 -1.620 -4.091
74 2HD LYS 7 2HD LYS 7 9.922 -1.543 -5.714
75 1HE LYS 7 1HE LYS 7 10.961 -3.824 -5.275
76 2HE LYS 7 2HE LYS 7 9.973 -3.899 -3.803
77 1HZ LYS 7 1HZ LYS 7 8.191 -3.040 -5.609
78 2HZ LYS 7 2HZ LYS 7 9.156 -4.046 -6.580
79 3HZ LYS 7 3HZ LYS 7 8.403 -4.674 -5.197
80 H ALA 8 H ALA 8 12.863 0.672 -1.320
81 HA ALA 8 HA ALA 8 13.876 1.951 -3.702
82 1HB ALA 8 1HB ALA 8 12.911 2.680 -0.982
83 2HB ALA 8 2HB ALA 8 13.944 3.855 -1.796
84 3HB ALA 8 3HB ALA 8 12.437 3.337 -2.548
85 H LYS 9 H LYS 9 15.167 2.810 -0.566
86 HA LYS 9 HA LYS 9 17.693 3.464 -1.069
87 1HB LYS 9 1HB LYS 9 16.764 1.537 1.086
88 2HB LYS 9 2HB LYS 9 18.248 2.483 1.166
89 1HG LYS 9 1HG LYS 9 15.424 3.577 1.050
90 2HG LYS 9 2HG LYS 9 16.516 3.626 2.430
91 1HD LYS 9 1HD LYS 9 18.115 4.822 0.670
92 2HD LYS 9 2HD LYS 9 16.574 5.233 -0.086
93 1HE LYS 9 1HE LYS 9 15.900 5.895 2.397
94 2HE LYS 9 2HE LYS 9 17.656 6.077 2.580
95 1HZ LYS 9 1HZ LYS 9 16.503 7.115 0.121
96 2HZ LYS 9 2HZ LYS 9 16.111 7.971 1.535
97 3HZ LYS 9 3HZ LYS 9 17.738 7.755 1.094
98 H LYS 10 H LYS 10 16.783 0.020 -0.616
99 HA LYS 10 HA LYS 10 19.102 -1.355 -0.911
100 1HB LYS 10 1HB LYS 10 16.596 -2.062 -0.984
101 2HB LYS 10 2HB LYS 10 16.788 -1.981 -2.735
102 1HG LYS 10 1HG LYS 10 18.340 -3.727 -2.782
103 2HG LYS 10 2HG LYS 10 18.800 -3.494 -1.095
104 1HD LYS 10 1HD LYS 10 17.483 -5.438 -1.013
105 2HD LYS 10 2HD LYS 10 16.344 -4.168 -0.567
106 1HE LYS 10 1HE LYS 10 15.329 -4.164 -2.722
107 2HE LYS 10 2HE LYS 10 16.672 -5.078 -3.439
108 1HZ LYS 10 1HZ LYS 10 16.144 -6.878 -1.818
109 2HZ LYS 10 2HZ LYS 10 14.726 -6.034 -1.411
110 3HZ LYS 10 3HZ LYS 10 14.938 -6.622 -2.987
111 H LEU 11 H LEU 11 17.324 -0.187 -3.815
112 HA LEU 11 HA LEU 11 19.744 -0.565 -5.434
113 1HB LEU 11 1HB LEU 11 16.811 -0.122 -5.884
114 2HB LEU 11 2HB LEU 11 17.948 0.075 -7.216
115 HG LEU 11 HG LEU 11 18.585 -2.184 -7.167
116 1HD1 LEU 11 1HD1 LEU 11 18.998 -2.276 -4.712
117 2HD1 LEU 11 2HD1 LEU 11 17.262 -2.455 -4.457
118 3HD1 LEU 11 3HD1 LEU 11 18.162 -3.709 -5.309
119 1HD2 LEU 11 1HD2 LEU 11 16.123 -1.698 -7.770
120 2HD2 LEU 11 2HD2 LEU 11 16.561 -3.375 -7.448
121 3HD2 LEU 11 3HD2 LEU 11 15.737 -2.425 -6.210
122 H ILE 12 H ILE 12 17.917 1.982 -3.970
123 HA ILE 12 HA ILE 12 19.508 4.025 -5.376
124 HB ILE 12 HB ILE 12 17.490 5.357 -5.491
125 1HG1 ILE 12 1HG1 ILE 12 15.973 3.054 -4.283
126 2HG1 ILE 12 2HG1 ILE 12 16.660 4.296 -3.245
127 1HG2 ILE 12 1HG2 ILE 12 17.982 3.343 -7.090
128 2HG2 ILE 12 2HG2 ILE 12 16.624 2.583 -6.264
129 3HG2 ILE 12 3HG2 ILE 12 16.388 4.098 -7.139
130 1HD1 ILE 12 1HD1 ILE 12 15.160 5.200 -5.639
131 2HD1 ILE 12 2HD1 ILE 12 14.217 4.551 -4.295
132 3HD1 ILE 12 3HD1 ILE 12 15.278 5.939 -4.045
133 H GLU 13 H GLU 13 20.298 2.975 -2.920
134 HA GLU 13 HA GLU 13 19.261 4.087 -0.598
135 1HB GLU 13 1HB GLU 13 21.931 3.199 -1.544
136 2HB GLU 13 2HB GLU 13 21.828 4.013 0.026
137 1HG GLU 13 1HG GLU 13 19.626 2.371 0.033
138 2HG GLU 13 2HG GLU 13 20.833 1.399 -0.775
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