NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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22221 |
2jmy   |
15099 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -7.082 4.427 2.339
2 2H LYS 1 2HT LYS 1 -5.795 3.331 2.050
3 3H LYS 1 3HT LYS 1 -5.467 4.900 2.663
4 HA LYS 1 HA LYS 1 -5.314 3.661 4.508
5 1HB LYS 1 2HB LYS 1 -7.250 4.175 5.838
6 2HB LYS 1 1HB LYS 1 -6.985 5.488 4.704
7 1HG LYS 1 2HG LYS 1 -8.696 3.982 3.279
8 2HG LYS 1 1HG LYS 1 -9.218 3.585 4.916
9 1HD LYS 1 2HD LYS 1 -8.963 6.272 5.106
10 2HD LYS 1 1HD LYS 1 -9.435 6.108 3.414
11 1HE LYS 1 2HE LYS 1 -11.531 5.507 3.935
12 2HE LYS 1 1HE LYS 1 -11.002 4.451 5.243
13 1HZ LYS 1 1HZ LYS 1 -11.061 6.153 6.763
14 2HZ LYS 1 2HZ LYS 1 -12.367 6.568 5.772
15 3HZ LYS 1 3HZ LYS 1 -10.887 7.368 5.598
16 H TRP 2 H TRP 2 -7.812 2.493 2.477
17 HA TRP 2 HA TRP 2 -8.282 0.238 3.972
18 1HB TRP 2 2HB TRP 2 -9.524 -0.352 1.641
19 2HB TRP 2 1HB TRP 2 -10.228 0.481 3.016
20 HD1 TRP 2 HD TRP 2 -11.576 2.260 1.838
21 HE1 TRP 2 1HE TRP 2 -11.025 4.189 0.199
22 HE3 TRP 2 3HE TRP 2 -6.871 1.057 1.093
23 HZ2 TRP 2 2HZ TRP 2 -8.687 5.074 -1.242
24 HZ3 TRP 2 3HZ TRP 2 -5.465 2.412 -0.345
25 HH2 TRP 2 HH TRP 2 -6.323 4.401 -1.513
26 H LYS 3 H LYS 3 -8.163 -0.758 0.691
27 HA LYS 3 HA LYS 3 -6.395 -2.876 1.483
28 1HB LYS 3 2HB LYS 3 -8.661 -3.003 0.107
29 2HB LYS 3 1HB LYS 3 -7.549 -2.812 -1.240
30 1HG LYS 3 2HG LYS 3 -7.429 -5.043 -1.162
31 2HG LYS 3 1HG LYS 3 -6.313 -4.765 0.176
32 1HD LYS 3 2HD LYS 3 -7.738 -5.618 1.676
33 2HD LYS 3 1HD LYS 3 -9.107 -4.731 1.003
34 1HE LYS 3 2HE LYS 3 -7.966 -7.344 0.023
35 2HE LYS 3 1HE LYS 3 -9.529 -7.087 0.798
36 1HZ LYS 3 1HZ LYS 3 -8.721 -6.609 -1.947
37 2HZ LYS 3 2HZ LYS 3 -9.715 -5.420 -1.269
38 3HZ LYS 3 3HZ LYS 3 -10.236 -7.028 -1.320
39 H LEU 4 H LEU 4 -6.127 -0.051 0.000
40 HA LEU 4 HA LEU 4 -3.798 -0.844 -1.552
41 1HB LEU 4 2HB LEU 4 -5.746 1.217 -1.823
42 2HB LEU 4 1HB LEU 4 -4.134 1.900 -1.715
43 HG LEU 4 HG LEU 4 -4.462 -0.361 -3.590
44 1HD1 LEU 4 1HD1 LEU 4 -5.784 0.629 -5.134
45 2HD1 LEU 4 2HD1 LEU 4 -5.282 2.258 -4.682
46 3HD1 LEU 4 3HD1 LEU 4 -6.473 1.399 -3.705
47 1HD2 LEU 4 1HD2 LEU 4 -2.374 1.044 -3.142
48 2HD2 LEU 4 2HD2 LEU 4 -3.186 2.314 -4.058
49 3HD2 LEU 4 3HD2 LEU 4 -2.825 0.767 -4.825
50 H PHE 5 H PHE 5 -4.866 0.748 1.342
51 HA PHE 5 HA PHE 5 -2.518 2.218 1.952
52 1HB PHE 5 2HB PHE 5 -4.424 2.634 3.270
53 2HB PHE 5 1HB PHE 5 -4.678 0.926 3.612
54 HD1 PHE 5 1HD PHE 5 -3.383 -0.188 5.328
55 HD2 PHE 5 2HD PHE 5 -2.764 3.922 4.443
56 HE1 PHE 5 1HE PHE 5 -2.077 0.052 7.400
57 HE2 PHE 5 2HE PHE 5 -1.462 4.179 6.520
58 HZ PHE 5 HZ PHE 5 -1.114 2.239 7.998
59 H LYS 6 H LYS 6 -3.470 -1.002 1.915
60 HA LYS 6 HA LYS 6 -1.264 -1.998 3.425
61 1HB LYS 6 2HB LYS 6 -2.284 -4.120 3.257
62 2HB LYS 6 1HB LYS 6 -3.605 -2.974 3.445
63 1HG LYS 6 2HG LYS 6 -4.488 -3.471 1.475
64 2HG LYS 6 1HG LYS 6 -2.919 -3.503 0.661
65 1HD LYS 6 2HD LYS 6 -3.535 -5.712 0.489
66 2HD LYS 6 1HD LYS 6 -2.628 -5.744 2.002
67 1HE LYS 6 2HE LYS 6 -5.574 -5.242 2.036
68 2HE LYS 6 1HE LYS 6 -4.966 -6.887 1.856
69 1HZ LYS 6 1HZ LYS 6 -3.561 -6.305 3.910
70 2HZ LYS 6 2HZ LYS 6 -5.202 -6.652 4.128
71 3HZ LYS 6 3HZ LYS 6 -4.669 -5.047 4.139
72 H LYS 7 H LYS 7 -2.218 -1.354 0.151
73 HA LYS 7 HA LYS 7 -0.006 -2.884 -0.937
74 1HB LYS 7 2HB LYS 7 -2.299 -2.663 -2.057
75 2HB LYS 7 1HB LYS 7 -1.804 -1.026 -2.464
76 1HG LYS 7 2HG LYS 7 0.327 -2.540 -3.310
77 2HG LYS 7 1HG LYS 7 -1.063 -3.560 -3.679
78 1HD LYS 7 2HD LYS 7 -1.418 -2.332 -5.500
79 2HD LYS 7 1HD LYS 7 -1.780 -0.956 -4.456
80 1HE LYS 7 2HE LYS 7 -0.078 -0.035 -5.643
81 2HE LYS 7 1HE LYS 7 0.879 -0.823 -4.389
82 1HZ LYS 7 1HZ LYS 7 0.228 -2.236 -6.896
83 2HZ LYS 7 2HZ LYS 7 1.499 -2.519 -5.817
84 3HZ LYS 7 3HZ LYS 7 1.535 -1.163 -6.826
85 H ILE 8 H ILE 8 -0.616 0.175 0.289
86 HA ILE 8 HA ILE 8 1.553 1.318 -1.247
87 HB ILE 8 HB ILE 8 -0.466 2.520 0.620
88 1HG1 ILE 8 2HG1 ILE 8 0.182 3.693 -2.022
89 2HG1 ILE 8 1HG1 ILE 8 -0.562 2.098 -2.043
90 1HG2 ILE 8 1HG2 ILE 8 1.600 3.573 1.254
91 2HG2 ILE 8 2HG2 ILE 8 0.647 4.712 0.301
92 3HG2 ILE 8 3HG2 ILE 8 2.013 3.874 -0.435
93 1HD1 ILE 8 1HD1 ILE 8 -1.666 4.651 -0.928
94 2HD1 ILE 8 2HD1 ILE 8 -2.345 3.072 -0.532
95 3HD1 ILE 8 3HD1 ILE 8 -2.326 3.630 -2.206
96 H GLY 9 H GLY 9 0.812 0.181 1.891
97 1HA GLY 9 2HA GLY 9 3.069 1.268 3.246
98 2HA GLY 9 1HA GLY 9 2.087 -0.086 3.796
99 H ALA 10 H ALA 10 2.477 -1.683 1.416
100 HA ALA 10 HA ALA 10 4.964 -2.837 2.192
101 1HB ALA 10 1HB ALA 10 4.403 -4.227 -0.029
102 2HB ALA 10 2HB ALA 10 2.797 -3.578 0.309
103 3HB ALA 10 3HB ALA 10 3.625 -4.555 1.521
104 H VAL 11 H VAL 11 3.876 -0.761 -0.424
105 HA VAL 11 HA VAL 11 6.104 -1.048 -2.099
106 HB VAL 11 HB VAL 11 4.592 1.509 -1.498
107 1HG1 VAL 11 1HG1 VAL 11 5.717 2.540 -3.156
108 2HG1 VAL 11 2HG1 VAL 11 5.828 1.078 -4.135
109 3HG1 VAL 11 3HG1 VAL 11 6.947 1.330 -2.795
110 1HG2 VAL 11 1HG2 VAL 11 3.525 -0.757 -2.519
111 2HG2 VAL 11 2HG2 VAL 11 4.074 0.042 -3.992
112 3HG2 VAL 11 3HG2 VAL 11 2.956 0.867 -2.905
113 H LEU 12 H LEU 12 5.582 0.541 0.927
114 HA LEU 12 HA LEU 12 7.813 2.163 1.238
115 1HB LEU 12 2HB LEU 12 5.922 1.854 2.858
116 2HB LEU 12 1HB LEU 12 6.580 0.271 3.259
117 HG LEU 12 HG LEU 12 8.694 1.488 3.991
118 1HD1 LEU 12 1HD1 LEU 12 7.763 3.627 2.746
119 2HD1 LEU 12 2HD1 LEU 12 8.791 3.756 4.173
120 3HD1 LEU 12 3HD1 LEU 12 7.044 3.932 4.327
121 1HD2 LEU 12 1HD2 LEU 12 6.062 1.838 5.400
122 2HD2 LEU 12 2HD2 LEU 12 7.602 2.275 6.140
123 3HD2 LEU 12 3HD2 LEU 12 7.293 0.603 5.668
124 H LYS 13 H LYS 13 7.317 -1.258 1.433
125 HA LYS 13 HA LYS 13 9.942 -1.952 2.330
126 1HB LYS 13 2HB LYS 13 7.803 -3.283 2.684
127 2HB LYS 13 1HB LYS 13 7.922 -3.741 0.988
128 1HG LYS 13 2HG LYS 13 9.401 -5.331 1.445
129 2HG LYS 13 1HG LYS 13 10.414 -4.216 2.363
130 1HD LYS 13 2HD LYS 13 8.942 -4.533 4.317
131 2HD LYS 13 1HD LYS 13 7.993 -5.698 3.390
132 1HE LYS 13 2HE LYS 13 9.541 -7.324 3.607
133 2HE LYS 13 1HE LYS 13 10.891 -6.200 3.455
134 1HZ LYS 13 1HZ LYS 13 9.828 -5.532 5.845
135 2HZ LYS 13 2HZ LYS 13 11.151 -6.564 5.629
136 3HZ LYS 13 3HZ LYS 13 9.599 -7.209 5.822
137 H VAL 14 H VAL 14 8.216 -1.754 -0.685
138 HA VAL 14 HA VAL 14 10.233 -2.946 -2.274
139 HB VAL 14 HB VAL 14 7.546 -2.317 -2.575
140 1HG1 VAL 14 1HG1 VAL 14 8.263 -0.058 -3.359
141 2HG1 VAL 14 2HG1 VAL 14 7.330 -0.975 -4.543
142 3HG1 VAL 14 3HG1 VAL 14 9.081 -0.840 -4.712
143 1HG2 VAL 14 1HG2 VAL 14 9.258 -4.118 -3.582
144 2HG2 VAL 14 2HG2 VAL 14 9.029 -3.106 -5.008
145 3HG2 VAL 14 3HG2 VAL 14 7.637 -3.859 -4.228
146 H LEU 15 H LEU 15 10.006 -0.024 -0.774
147 HA LEU 15 HA LEU 15 11.358 1.532 -2.828
148 1HB LEU 15 2HB LEU 15 9.502 2.121 -0.884
149 2HB LEU 15 1HB LEU 15 10.992 2.740 -0.191
150 HG LEU 15 HG LEU 15 11.288 3.891 -2.521
151 1HD1 LEU 15 1HD1 LEU 15 9.269 4.428 -3.666
152 2HD1 LEU 15 2HD1 LEU 15 8.291 3.621 -2.440
153 3HD1 LEU 15 3HD1 LEU 15 9.337 2.673 -3.497
154 1HD2 LEU 15 1HD2 LEU 15 11.117 5.405 -0.838
155 2HD2 LEU 15 2HD2 LEU 15 9.662 4.665 -0.169
156 3HD2 LEU 15 3HD2 LEU 15 9.552 5.688 -1.601
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 -5.867 3.153 2.239
2 2H LYS 1 2HT LYS 1 -5.782 4.729 2.909
3 3H LYS 1 3HT LYS 1 -7.306 4.018 2.575
4 HA LYS 1 HA LYS 1 -5.385 3.372 4.668
5 1HB LYS 1 2HB LYS 1 -7.402 3.594 6.065
6 2HB LYS 1 1HB LYS 1 -7.057 5.057 5.156
7 1HG LYS 1 2HG LYS 1 -8.861 4.747 3.731
8 2HG LYS 1 1HG LYS 1 -8.980 3.025 4.100
9 1HD LYS 1 2HD LYS 1 -9.593 3.723 6.462
10 2HD LYS 1 1HD LYS 1 -9.777 5.358 5.824
11 1HE LYS 1 2HE LYS 1 -11.930 4.574 5.651
12 2HE LYS 1 1HE LYS 1 -11.297 4.173 4.055
13 1HZ LYS 1 1HZ LYS 1 -11.021 2.166 6.162
14 2HZ LYS 1 2HZ LYS 1 -11.302 1.963 4.507
15 3HZ LYS 1 3HZ LYS 1 -12.570 2.420 5.529
16 H TRP 2 H TRP 2 -7.886 2.134 2.689
17 HA TRP 2 HA TRP 2 -8.184 -0.191 4.108
18 1HB TRP 2 2HB TRP 2 -9.447 -0.773 1.784
19 2HB TRP 2 1HB TRP 2 -10.163 -0.024 3.201
20 HD1 TRP 2 HD TRP 2 -11.632 1.712 2.104
21 HE1 TRP 2 1HE TRP 2 -11.220 3.725 0.524
22 HE3 TRP 2 3HE TRP 2 -6.882 0.803 1.238
23 HZ2 TRP 2 2HZ TRP 2 -8.962 4.787 -0.925
24 HZ3 TRP 2 3HZ TRP 2 -5.580 2.282 -0.175
25 HH2 TRP 2 HH TRP 2 -6.569 4.259 -1.259
26 H LYS 3 H LYS 3 -8.087 -1.067 0.791
27 HA LYS 3 HA LYS 3 -6.192 -3.111 1.475
28 1HB LYS 3 2HB LYS 3 -7.914 -2.775 -0.962
29 2HB LYS 3 1HB LYS 3 -6.852 -4.149 -0.680
30 1HG LYS 3 2HG LYS 3 -8.132 -4.772 1.282
31 2HG LYS 3 1HG LYS 3 -9.167 -3.357 1.075
32 1HD LYS 3 2HD LYS 3 -8.874 -5.623 -0.898
33 2HD LYS 3 1HD LYS 3 -10.223 -5.402 0.218
34 1HE LYS 3 2HE LYS 3 -10.478 -3.092 -0.888
35 2HE LYS 3 1HE LYS 3 -9.456 -3.750 -2.165
36 1HZ LYS 3 1HZ LYS 3 -12.218 -4.337 -1.517
37 2HZ LYS 3 2HZ LYS 3 -11.274 -5.688 -1.898
38 3HZ LYS 3 3HZ LYS 3 -11.413 -4.416 -3.004
39 H LEU 4 H LEU 4 -6.100 -0.229 0.093
40 HA LEU 4 HA LEU 4 -3.775 -0.848 -1.546
41 1HB LEU 4 2HB LEU 4 -5.828 1.117 -1.695
42 2HB LEU 4 1HB LEU 4 -4.255 1.882 -1.583
43 HG LEU 4 HG LEU 4 -4.559 -0.310 -3.558
44 1HD1 LEU 4 1HD1 LEU 4 -6.535 0.739 -4.163
45 2HD1 LEU 4 2HD1 LEU 4 -5.340 1.521 -5.198
46 3HD1 LEU 4 3HD1 LEU 4 -5.928 2.343 -3.752
47 1HD2 LEU 4 1HD2 LEU 4 -3.327 2.296 -4.196
48 2HD2 LEU 4 2HD2 LEU 4 -2.774 0.659 -4.550
49 3HD2 LEU 4 3HD2 LEU 4 -2.540 1.342 -2.940
50 H PHE 5 H PHE 5 -4.850 0.589 1.429
51 HA PHE 5 HA PHE 5 -2.555 2.139 2.041
52 1HB PHE 5 2HB PHE 5 -4.463 2.428 3.398
53 2HB PHE 5 1HB PHE 5 -4.618 0.702 3.708
54 HD1 PHE 5 1HD PHE 5 -3.246 -0.372 5.384
55 HD2 PHE 5 2HD PHE 5 -2.829 3.777 4.557
56 HE1 PHE 5 1HE PHE 5 -1.909 -0.105 7.432
57 HE2 PHE 5 2HE PHE 5 -1.496 4.058 6.609
58 HZ PHE 5 HZ PHE 5 -1.032 2.113 8.047
59 H LYS 6 H LYS 6 -3.368 -1.115 1.911
60 HA LYS 6 HA LYS 6 -1.089 -2.057 3.348
61 1HB LYS 6 2HB LYS 6 -2.021 -4.216 3.144
62 2HB LYS 6 1HB LYS 6 -3.386 -3.135 3.395
63 1HG LYS 6 2HG LYS 6 -4.288 -3.602 1.422
64 2HG LYS 6 1HG LYS 6 -2.735 -3.575 0.581
65 1HD LYS 6 2HD LYS 6 -2.419 -5.805 0.819
66 2HD LYS 6 1HD LYS 6 -3.168 -5.845 2.417
67 1HE LYS 6 2HE LYS 6 -4.922 -6.803 1.428
68 2HE LYS 6 1HE LYS 6 -5.265 -5.221 0.731
69 1HZ LYS 6 1HZ LYS 6 -5.155 -7.075 -0.900
70 2HZ LYS 6 2HZ LYS 6 -3.506 -7.233 -0.556
71 3HZ LYS 6 3HZ LYS 6 -4.094 -5.800 -1.236
72 H LYS 7 H LYS 7 -2.145 -1.346 0.123
73 HA LYS 7 HA LYS 7 0.091 -2.757 -1.072
74 1HB LYS 7 2HB LYS 7 -2.213 -2.605 -2.147
75 2HB LYS 7 1HB LYS 7 -1.836 -0.916 -2.461
76 1HG LYS 7 2HG LYS 7 0.167 -2.889 -3.355
77 2HG LYS 7 1HG LYS 7 -1.376 -2.883 -4.212
78 1HD LYS 7 2HD LYS 7 -1.016 -0.836 -5.123
79 2HD LYS 7 1HD LYS 7 -0.130 -0.247 -3.715
80 1HE LYS 7 2HE LYS 7 1.871 -1.130 -4.437
81 2HE LYS 7 1HE LYS 7 1.090 -2.365 -5.426
82 1HZ LYS 7 1HZ LYS 7 0.773 -0.917 -7.145
83 2HZ LYS 7 2HZ LYS 7 2.213 -0.294 -6.515
84 3HZ LYS 7 3HZ LYS 7 0.740 0.456 -6.155
85 H ILE 8 H ILE 8 -0.598 0.238 0.275
86 HA ILE 8 HA ILE 8 1.526 1.490 -1.249
87 HB ILE 8 HB ILE 8 -0.558 2.582 0.609
88 1HG1 ILE 8 2HG1 ILE 8 0.169 3.783 -2.021
89 2HG1 ILE 8 1HG1 ILE 8 -0.658 2.228 -2.026
90 1HG2 ILE 8 1HG2 ILE 8 1.451 3.683 1.334
91 2HG2 ILE 8 2HG2 ILE 8 0.495 4.819 0.378
92 3HG2 ILE 8 3HG2 ILE 8 1.909 4.039 -0.333
93 1HD1 ILE 8 1HD1 ILE 8 -1.805 4.754 -1.847
94 2HD1 ILE 8 2HD1 ILE 8 -1.954 4.061 -0.233
95 3HD1 ILE 8 3HD1 ILE 8 -2.604 3.198 -1.626
96 H GLY 9 H GLY 9 0.820 0.248 1.853
97 1HA GLY 9 2HA GLY 9 3.095 1.377 3.188
98 2HA GLY 9 1HA GLY 9 2.079 0.070 3.788
99 H ALA 10 H ALA 10 2.419 -1.555 1.381
100 HA ALA 10 HA ALA 10 4.847 -2.805 2.196
101 1HB ALA 10 1HB ALA 10 2.679 -3.468 0.285
102 2HB ALA 10 2HB ALA 10 3.454 -4.473 1.511
103 3HB ALA 10 3HB ALA 10 4.264 -4.177 -0.029
104 H VAL 11 H VAL 11 3.857 -0.734 -0.470
105 HA VAL 11 HA VAL 11 6.119 -1.102 -2.082
106 HB VAL 11 HB VAL 11 4.658 1.504 -1.574
107 1HG1 VAL 11 1HG1 VAL 11 7.029 1.234 -2.818
108 2HG1 VAL 11 2HG1 VAL 11 5.834 2.459 -3.247
109 3HG1 VAL 11 3HG1 VAL 11 5.934 0.962 -4.174
110 1HG2 VAL 11 1HG2 VAL 11 4.130 0.018 -4.047
111 2HG2 VAL 11 2HG2 VAL 11 3.018 0.857 -2.965
112 3HG2 VAL 11 3HG2 VAL 11 3.566 -0.774 -2.575
113 H LEU 12 H LEU 12 5.558 0.554 0.901
114 HA LEU 12 HA LEU 12 7.796 2.151 1.235
115 1HB LEU 12 2HB LEU 12 5.900 1.882 2.840
116 2HB LEU 12 1HB LEU 12 6.511 0.280 3.242
117 HG LEU 12 HG LEU 12 8.709 1.721 3.797
118 1HD1 LEU 12 1HD1 LEU 12 7.798 3.757 5.078
119 2HD1 LEU 12 2HD1 LEU 12 6.399 3.614 4.013
120 3HD1 LEU 12 3HD1 LEU 12 8.003 3.885 3.331
121 1HD2 LEU 12 1HD2 LEU 12 6.468 1.647 5.788
122 2HD2 LEU 12 2HD2 LEU 12 8.195 1.417 6.054
123 3HD2 LEU 12 3HD2 LEU 12 7.256 0.170 5.234
124 H LYS 13 H LYS 13 7.289 -1.272 1.461
125 HA LYS 13 HA LYS 13 9.923 -1.940 2.368
126 1HB LYS 13 2HB LYS 13 7.652 -3.587 1.259
127 2HB LYS 13 1HB LYS 13 9.155 -4.277 1.864
128 1HG LYS 13 2HG LYS 13 7.417 -2.520 3.565
129 2HG LYS 13 1HG LYS 13 7.159 -4.261 3.439
130 1HD LYS 13 2HD LYS 13 9.723 -4.361 3.993
131 2HD LYS 13 1HD LYS 13 9.426 -2.755 4.664
132 1HE LYS 13 2HE LYS 13 7.926 -5.265 5.406
133 2HE LYS 13 1HE LYS 13 9.220 -4.535 6.353
134 1HZ LYS 13 1HZ LYS 13 7.593 -2.457 6.082
135 2HZ LYS 13 2HZ LYS 13 7.490 -3.546 7.372
136 3HZ LYS 13 3HZ LYS 13 6.452 -3.707 6.047
137 H VAL 14 H VAL 14 8.171 -1.825 -0.641
138 HA VAL 14 HA VAL 14 10.208 -3.053 -2.193
139 HB VAL 14 HB VAL 14 7.491 -2.485 -2.497
140 1HG1 VAL 14 1HG1 VAL 14 8.175 -0.297 -3.479
141 2HG1 VAL 14 2HG1 VAL 14 7.258 -1.325 -4.580
142 3HG1 VAL 14 3HG1 VAL 14 9.006 -1.183 -4.757
143 1HG2 VAL 14 1HG2 VAL 14 8.097 -4.504 -3.340
144 2HG2 VAL 14 2HG2 VAL 14 9.599 -3.893 -4.033
145 3HG2 VAL 14 3HG2 VAL 14 8.065 -3.593 -4.849
146 H LEU 15 H LEU 15 10.016 -0.108 -0.781
147 HA LEU 15 HA LEU 15 11.434 1.292 -2.941
148 1HB LEU 15 2HB LEU 15 9.316 2.030 -1.243
149 2HB LEU 15 1HB LEU 15 10.707 2.961 -0.713
150 HG LEU 15 HG LEU 15 11.001 3.669 -3.136
151 1HD1 LEU 15 1HD1 LEU 15 9.227 1.731 -3.705
152 2HD1 LEU 15 2HD1 LEU 15 9.506 3.135 -4.735
153 3HD1 LEU 15 3HD1 LEU 15 8.145 3.122 -3.614
154 1HD2 LEU 15 1HD2 LEU 15 9.677 4.821 -1.112
155 2HD2 LEU 15 2HD2 LEU 15 8.358 4.664 -2.272
156 3HD2 LEU 15 3HD2 LEU 15 9.817 5.549 -2.712
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 -7.244 4.265 2.524
2 2H LYS 1 2HT LYS 1 -5.813 3.388 2.174
3 3H LYS 1 3HT LYS 1 -5.712 4.973 2.822
4 HA LYS 1 HA LYS 1 -5.279 3.600 4.576
5 1HB LYS 1 2HB LYS 1 -7.279 3.876 6.019
6 2HB LYS 1 1HB LYS 1 -6.840 5.336 5.148
7 1HG LYS 1 2HG LYS 1 -8.729 5.326 3.905
8 2HG LYS 1 1HG LYS 1 -8.822 3.566 3.859
9 1HD LYS 1 2HD LYS 1 -10.325 3.591 5.496
10 2HD LYS 1 1HD LYS 1 -9.170 4.403 6.556
11 1HE LYS 1 2HE LYS 1 -9.898 6.556 5.803
12 2HE LYS 1 1HE LYS 1 -10.903 5.834 4.548
13 1HZ LYS 1 1HZ LYS 1 -11.409 5.085 7.335
14 2HZ LYS 1 2HZ LYS 1 -12.491 5.224 6.042
15 3HZ LYS 1 3HZ LYS 1 -11.917 6.613 6.816
16 H TRP 2 H TRP 2 -7.854 2.416 2.666
17 HA TRP 2 HA TRP 2 -8.219 0.132 4.136
18 1HB TRP 2 2HB TRP 2 -9.522 -0.452 1.835
19 2HB TRP 2 1HB TRP 2 -10.200 0.347 3.243
20 HD1 TRP 2 HD TRP 2 -11.622 2.107 2.121
21 HE1 TRP 2 1HE TRP 2 -11.155 4.077 0.503
22 HE3 TRP 2 3HE TRP 2 -6.908 1.028 1.239
23 HZ2 TRP 2 2HZ TRP 2 -8.875 5.041 -0.977
24 HZ3 TRP 2 3HZ TRP 2 -5.570 2.443 -0.205
25 HH2 TRP 2 HH TRP 2 -6.504 4.430 -1.317
26 H LYS 3 H LYS 3 -8.183 -0.810 0.833
27 HA LYS 3 HA LYS 3 -6.352 -2.904 1.542
28 1HB LYS 3 2HB LYS 3 -8.590 -3.295 0.397
29 2HB LYS 3 1HB LYS 3 -7.818 -2.680 -1.058
30 1HG LYS 3 2HG LYS 3 -6.017 -4.519 -0.430
31 2HG LYS 3 1HG LYS 3 -7.412 -5.243 0.372
32 1HD LYS 3 2HD LYS 3 -8.511 -4.593 -2.002
33 2HD LYS 3 1HD LYS 3 -6.844 -4.885 -2.502
34 1HE LYS 3 2HE LYS 3 -6.962 -7.078 -1.300
35 2HE LYS 3 1HE LYS 3 -8.681 -6.782 -1.049
36 1HZ LYS 3 1HZ LYS 3 -7.731 -8.107 -3.132
37 2HZ LYS 3 2HZ LYS 3 -7.712 -6.547 -3.783
38 3HZ LYS 3 3HZ LYS 3 -9.159 -7.200 -3.200
39 H LEU 4 H LEU 4 -6.164 -0.056 0.112
40 HA LEU 4 HA LEU 4 -3.888 -0.791 -1.550
41 1HB LEU 4 2HB LEU 4 -5.855 1.270 -1.670
42 2HB LEU 4 1HB LEU 4 -4.244 1.954 -1.605
43 HG LEU 4 HG LEU 4 -3.602 0.832 -3.620
44 1HD1 LEU 4 1HD1 LEU 4 -6.320 -0.434 -3.790
45 2HD1 LEU 4 2HD1 LEU 4 -4.942 -1.257 -3.059
46 3HD1 LEU 4 3HD1 LEU 4 -4.884 -0.778 -4.756
47 1HD2 LEU 4 1HD2 LEU 4 -5.728 1.564 -5.079
48 2HD2 LEU 4 2HD2 LEU 4 -4.569 2.713 -4.409
49 3HD2 LEU 4 3HD2 LEU 4 -6.094 2.409 -3.575
50 H PHE 5 H PHE 5 -4.881 0.758 1.403
51 HA PHE 5 HA PHE 5 -2.507 2.194 1.982
52 1HB PHE 5 2HB PHE 5 -4.419 2.603 3.311
53 2HB PHE 5 1HB PHE 5 -4.630 0.896 3.689
54 HD1 PHE 5 1HD PHE 5 -3.256 -0.163 5.385
55 HD2 PHE 5 2HD PHE 5 -2.777 3.951 4.434
56 HE1 PHE 5 1HE PHE 5 -1.911 0.144 7.423
57 HE2 PHE 5 2HE PHE 5 -1.437 4.274 6.476
58 HZ PHE 5 HZ PHE 5 -1.000 2.366 7.971
59 H LYS 6 H LYS 6 -3.475 -1.020 1.913
60 HA LYS 6 HA LYS 6 -1.268 -2.046 3.398
61 1HB LYS 6 2HB LYS 6 -2.295 -4.158 3.209
62 2HB LYS 6 1HB LYS 6 -3.617 -3.012 3.403
63 1HG LYS 6 2HG LYS 6 -4.497 -3.510 1.435
64 2HG LYS 6 1HG LYS 6 -2.932 -3.499 0.616
65 1HD LYS 6 2HD LYS 6 -3.961 -5.759 2.333
66 2HD LYS 6 1HD LYS 6 -4.052 -5.714 0.570
67 1HE LYS 6 2HE LYS 6 -1.901 -6.288 0.336
68 2HE LYS 6 1HE LYS 6 -1.376 -5.177 1.600
69 1HZ LYS 6 1HZ LYS 6 -2.077 -7.999 1.781
70 2HZ LYS 6 2HZ LYS 6 -2.534 -7.024 3.085
71 3HZ LYS 6 3HZ LYS 6 -0.908 -7.117 2.629
72 H LYS 7 H LYS 7 -2.230 -1.353 0.120
73 HA LYS 7 HA LYS 7 0.005 -2.875 -0.941
74 1HB LYS 7 2HB LYS 7 -1.017 -2.810 -2.956
75 2HB LYS 7 1HB LYS 7 -2.432 -2.396 -2.001
76 1HG LYS 7 2HG LYS 7 -2.384 -0.193 -2.636
77 2HG LYS 7 1HG LYS 7 -0.657 -0.213 -2.979
78 1HD LYS 7 2HD LYS 7 -2.179 -2.043 -4.663
79 2HD LYS 7 1HD LYS 7 -2.662 -0.355 -4.851
80 1HE LYS 7 2HE LYS 7 0.240 -0.862 -4.775
81 2HE LYS 7 1HE LYS 7 -0.612 -1.495 -6.185
82 1HZ LYS 7 1HZ LYS 7 -1.608 0.829 -6.343
83 2HZ LYS 7 2HZ LYS 7 0.014 0.648 -6.788
84 3HZ LYS 7 3HZ LYS 7 -0.380 1.309 -5.282
85 H ILE 8 H ILE 8 -0.630 0.175 0.272
86 HA ILE 8 HA ILE 8 1.545 1.322 -1.258
87 HB ILE 8 HB ILE 8 -0.486 2.525 0.596
88 1HG1 ILE 8 2HG1 ILE 8 0.279 3.393 -2.185
89 2HG1 ILE 8 1HG1 ILE 8 -0.875 2.093 -1.902
90 1HG2 ILE 8 1HG2 ILE 8 1.583 3.587 1.226
91 2HG2 ILE 8 2HG2 ILE 8 0.617 4.718 0.275
92 3HG2 ILE 8 3HG2 ILE 8 1.986 3.887 -0.465
93 1HD1 ILE 8 1HD1 ILE 8 -1.530 4.424 -0.340
94 2HD1 ILE 8 2HD1 ILE 8 -2.506 3.536 -1.511
95 3HD1 ILE 8 3HD1 ILE 8 -1.412 4.807 -2.057
96 H GLY 9 H GLY 9 0.791 0.194 1.883
97 1HA GLY 9 2HA GLY 9 3.026 1.295 3.255
98 2HA GLY 9 1HA GLY 9 2.058 -0.073 3.792
99 H ALA 10 H ALA 10 2.491 -1.657 1.413
100 HA ALA 10 HA ALA 10 5.003 -2.771 2.191
101 1HB ALA 10 1HB ALA 10 4.450 -4.231 0.038
102 2HB ALA 10 2HB ALA 10 2.839 -3.567 0.316
103 3HB ALA 10 3HB ALA 10 3.639 -4.502 1.581
104 H VAL 11 H VAL 11 3.845 -0.739 -0.421
105 HA VAL 11 HA VAL 11 5.997 -1.025 -2.174
106 HB VAL 11 HB VAL 11 3.807 0.680 -2.022
107 1HG1 VAL 11 1HG1 VAL 11 6.232 2.455 -2.118
108 2HG1 VAL 11 2HG1 VAL 11 5.257 2.230 -0.666
109 3HG1 VAL 11 3HG1 VAL 11 4.534 2.930 -2.114
110 1HG2 VAL 11 1HG2 VAL 11 6.112 0.484 -3.926
111 2HG2 VAL 11 2HG2 VAL 11 4.777 1.601 -4.213
112 3HG2 VAL 11 3HG2 VAL 11 4.468 -0.132 -4.102
113 H LEU 12 H LEU 12 5.624 0.521 0.876
114 HA LEU 12 HA LEU 12 7.902 2.114 1.104
115 1HB LEU 12 2HB LEU 12 6.046 1.905 2.769
116 2HB LEU 12 1HB LEU 12 6.639 0.299 3.176
117 HG LEU 12 HG LEU 12 8.775 2.217 3.438
118 1HD1 LEU 12 1HD1 LEU 12 7.512 3.197 5.577
119 2HD1 LEU 12 2HD1 LEU 12 6.136 3.038 4.484
120 3HD1 LEU 12 3HD1 LEU 12 7.528 4.013 4.013
121 1HD2 LEU 12 1HD2 LEU 12 7.453 0.897 5.754
122 2HD2 LEU 12 2HD2 LEU 12 9.168 1.094 5.393
123 3HD2 LEU 12 3HD2 LEU 12 8.218 -0.114 4.528
124 H LYS 13 H LYS 13 7.312 -1.294 1.577
125 HA LYS 13 HA LYS 13 9.892 -2.076 2.420
126 1HB LYS 13 2HB LYS 13 7.738 -3.385 2.640
127 2HB LYS 13 1HB LYS 13 7.856 -3.726 0.917
128 1HG LYS 13 2HG LYS 13 9.741 -5.074 1.194
129 2HG LYS 13 1HG LYS 13 10.086 -4.424 2.798
130 1HD LYS 13 2HD LYS 13 7.463 -5.730 2.490
131 2HD LYS 13 1HD LYS 13 8.865 -6.795 2.353
132 1HE LYS 13 2HE LYS 13 9.695 -5.853 4.509
133 2HE LYS 13 1HE LYS 13 8.174 -4.973 4.654
134 1HZ LYS 13 1HZ LYS 13 7.257 -7.422 4.248
135 2HZ LYS 13 2HZ LYS 13 7.597 -6.816 5.791
136 3HZ LYS 13 3HZ LYS 13 8.719 -7.809 5.007
137 H VAL 14 H VAL 14 8.274 -1.789 -0.641
138 HA VAL 14 HA VAL 14 10.354 -2.896 -2.211
139 HB VAL 14 HB VAL 14 7.647 -1.934 -2.557
140 1HG1 VAL 14 1HG1 VAL 14 7.832 -1.282 -4.927
141 2HG1 VAL 14 2HG1 VAL 14 9.589 -1.324 -4.794
142 3HG1 VAL 14 3HG1 VAL 14 8.662 -0.149 -3.861
143 1HG2 VAL 14 1HG2 VAL 14 9.443 -3.984 -3.766
144 2HG2 VAL 14 2HG2 VAL 14 7.941 -3.564 -4.592
145 3HG2 VAL 14 3HG2 VAL 14 7.896 -4.179 -2.941
146 H LEU 15 H LEU 15 9.952 -0.003 -0.661
147 HA LEU 15 HA LEU 15 11.179 1.733 -2.597
148 1HB LEU 15 2HB LEU 15 9.604 2.028 -0.325
149 2HB LEU 15 1HB LEU 15 11.162 2.687 0.143
150 HG LEU 15 HG LEU 15 10.928 3.968 -2.167
151 1HD1 LEU 15 1HD1 LEU 15 8.595 2.639 -2.278
152 2HD1 LEU 15 2HD1 LEU 15 8.859 4.214 -3.029
153 3HD1 LEU 15 3HD1 LEU 15 8.072 4.108 -1.453
154 1HD2 LEU 15 1HD2 LEU 15 10.829 4.679 0.421
155 2HD2 LEU 15 2HD2 LEU 15 9.198 5.130 -0.077
156 3HD2 LEU 15 3HD2 LEU 15 10.595 5.815 -0.908
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -5.731 3.417 1.850
2 2H LYS 1 2HT LYS 1 -5.686 5.048 2.378
3 3H LYS 1 3HT LYS 1 -7.189 4.278 2.093
4 HA LYS 1 HA LYS 1 -5.255 3.788 4.227
5 1HB LYS 1 2HB LYS 1 -7.413 4.092 5.563
6 2HB LYS 1 1HB LYS 1 -6.713 5.523 4.828
7 1HG LYS 1 2HG LYS 1 -8.732 4.049 3.247
8 2HG LYS 1 1HG LYS 1 -9.298 4.930 4.668
9 1HD LYS 1 2HD LYS 1 -7.495 6.237 2.663
10 2HD LYS 1 1HD LYS 1 -9.236 6.152 2.392
11 1HE LYS 1 2HE LYS 1 -9.087 8.165 3.472
12 2HE LYS 1 1HE LYS 1 -9.336 7.086 4.844
13 1HZ LYS 1 1HZ LYS 1 -7.330 8.861 4.637
14 2HZ LYS 1 2HZ LYS 1 -6.570 7.447 4.105
15 3HZ LYS 1 3HZ LYS 1 -7.299 7.492 5.631
16 H TRP 2 H TRP 2 -7.801 2.469 2.364
17 HA TRP 2 HA TRP 2 -8.194 0.318 4.019
18 1HB TRP 2 2HB TRP 2 -9.476 -0.453 1.758
19 2HB TRP 2 1HB TRP 2 -10.166 0.460 3.090
20 HD1 TRP 2 HD TRP 2 -11.575 2.118 1.805
21 HE1 TRP 2 1HE TRP 2 -11.094 3.955 0.044
22 HE3 TRP 2 3HE TRP 2 -6.847 0.983 1.081
23 HZ2 TRP 2 2HZ TRP 2 -8.780 4.806 -1.471
24 HZ3 TRP 2 3HZ TRP 2 -5.484 2.282 -0.448
25 HH2 TRP 2 HH TRP 2 -6.400 4.175 -1.721
26 H LYS 3 H LYS 3 -8.144 -0.910 0.817
27 HA LYS 3 HA LYS 3 -6.310 -2.929 1.702
28 1HB LYS 3 2HB LYS 3 -8.154 -2.753 -0.651
29 2HB LYS 3 1HB LYS 3 -6.975 -4.048 -0.495
30 1HG LYS 3 2HG LYS 3 -9.045 -3.459 1.605
31 2HG LYS 3 1HG LYS 3 -9.313 -4.578 0.266
32 1HD LYS 3 2HD LYS 3 -7.115 -5.689 1.069
33 2HD LYS 3 1HD LYS 3 -7.402 -4.800 2.565
34 1HE LYS 3 2HE LYS 3 -9.837 -6.049 1.805
35 2HE LYS 3 1HE LYS 3 -8.555 -7.253 1.702
36 1HZ LYS 3 1HZ LYS 3 -8.237 -5.767 4.072
37 2HZ LYS 3 2HZ LYS 3 -8.559 -7.418 3.895
38 3HZ LYS 3 3HZ LYS 3 -9.836 -6.314 3.987
39 H LEU 4 H LEU 4 -6.162 -0.216 0.016
40 HA LEU 4 HA LEU 4 -3.854 -1.055 -1.537
41 1HB LEU 4 2HB LEU 4 -5.827 1.028 -1.800
42 2HB LEU 4 1HB LEU 4 -4.185 1.605 -1.985
43 HG LEU 4 HG LEU 4 -5.344 -0.689 -3.557
44 1HD1 LEU 4 1HD1 LEU 4 -5.303 1.036 -5.439
45 2HD1 LEU 4 2HD1 LEU 4 -5.253 2.247 -4.159
46 3HD1 LEU 4 3HD1 LEU 4 -6.617 1.135 -4.268
47 1HD2 LEU 4 1HD2 LEU 4 -3.283 0.461 -4.977
48 2HD2 LEU 4 2HD2 LEU 4 -3.196 -1.027 -4.036
49 3HD2 LEU 4 3HD2 LEU 4 -2.705 0.505 -3.310
50 H PHE 5 H PHE 5 -4.868 0.732 1.281
51 HA PHE 5 HA PHE 5 -2.495 2.264 1.644
52 1HB PHE 5 2HB PHE 5 -4.383 2.834 2.967
53 2HB PHE 5 1HB PHE 5 -4.568 1.192 3.574
54 HD1 PHE 5 1HD PHE 5 -3.185 0.400 5.385
55 HD2 PHE 5 2HD PHE 5 -2.648 4.317 3.816
56 HE1 PHE 5 1HE PHE 5 -1.775 0.976 7.319
57 HE2 PHE 5 2HE PHE 5 -1.242 4.905 5.753
58 HZ PHE 5 HZ PHE 5 -0.801 3.230 7.505
59 H LYS 6 H LYS 6 -3.421 -0.948 1.916
60 HA LYS 6 HA LYS 6 -1.185 -1.778 3.479
61 1HB LYS 6 2HB LYS 6 -2.133 -3.940 3.457
62 2HB LYS 6 1HB LYS 6 -3.492 -2.829 3.575
63 1HG LYS 6 2HG LYS 6 -4.333 -3.421 1.606
64 2HG LYS 6 1HG LYS 6 -2.749 -3.592 0.838
65 1HD LYS 6 2HD LYS 6 -2.799 -5.649 2.681
66 2HD LYS 6 1HD LYS 6 -4.459 -5.597 2.088
67 1HE LYS 6 2HE LYS 6 -3.883 -6.415 0.087
68 2HE LYS 6 1HE LYS 6 -2.471 -5.364 -0.034
69 1HZ LYS 6 1HZ LYS 6 -1.834 -7.208 1.899
70 2HZ LYS 6 2HZ LYS 6 -1.260 -7.178 0.308
71 3HZ LYS 6 3HZ LYS 6 -2.616 -8.110 0.700
72 H LYS 7 H LYS 7 -2.188 -1.387 0.183
73 HA LYS 7 HA LYS 7 0.075 -2.866 -0.862
74 1HB LYS 7 2HB LYS 7 -2.016 -2.956 -2.114
75 2HB LYS 7 1HB LYS 7 -2.041 -1.202 -2.220
76 1HG LYS 7 2HG LYS 7 -1.332 -2.058 -4.319
77 2HG LYS 7 1HG LYS 7 0.066 -1.318 -3.540
78 1HD LYS 7 2HD LYS 7 0.016 -4.017 -2.724
79 2HD LYS 7 1HD LYS 7 -0.281 -4.008 -4.464
80 1HE LYS 7 2HE LYS 7 1.913 -2.328 -3.341
81 2HE LYS 7 1HE LYS 7 2.166 -4.062 -3.527
82 1HZ LYS 7 1HZ LYS 7 2.909 -2.780 -5.464
83 2HZ LYS 7 2HZ LYS 7 1.330 -2.225 -5.706
84 3HZ LYS 7 3HZ LYS 7 1.680 -3.872 -5.865
85 H ILE 8 H ILE 8 -0.559 0.153 0.389
86 HA ILE 8 HA ILE 8 1.554 1.369 -1.167
87 HB ILE 8 HB ILE 8 -0.502 2.493 0.703
88 1HG1 ILE 8 2HG1 ILE 8 0.287 3.668 -1.931
89 2HG1 ILE 8 1HG1 ILE 8 -0.639 2.172 -1.916
90 1HG2 ILE 8 1HG2 ILE 8 1.434 3.585 1.495
91 2HG2 ILE 8 2HG2 ILE 8 0.639 4.725 0.407
92 3HG2 ILE 8 3HG2 ILE 8 2.058 3.828 -0.136
93 1HD1 ILE 8 1HD1 ILE 8 -1.434 4.872 -0.891
94 2HD1 ILE 8 2HD1 ILE 8 -2.288 3.402 -0.419
95 3HD1 ILE 8 3HD1 ILE 8 -2.224 3.879 -2.116
96 H GLY 9 H GLY 9 0.871 0.108 1.930
97 1HA GLY 9 2HA GLY 9 3.141 1.201 3.289
98 2HA GLY 9 1HA GLY 9 2.150 -0.148 3.841
99 H ALA 10 H ALA 10 2.486 -1.689 1.402
100 HA ALA 10 HA ALA 10 4.972 -2.887 2.119
101 1HB ALA 10 1HB ALA 10 2.755 -3.572 0.272
102 2HB ALA 10 2HB ALA 10 3.620 -4.589 1.425
103 3HB ALA 10 3HB ALA 10 4.347 -4.213 -0.138
104 H VAL 11 H VAL 11 3.830 -0.711 -0.363
105 HA VAL 11 HA VAL 11 6.009 -0.934 -2.115
106 HB VAL 11 HB VAL 11 4.441 1.555 -1.388
107 1HG1 VAL 11 1HG1 VAL 11 5.643 2.729 -2.856
108 2HG1 VAL 11 2HG1 VAL 11 5.587 1.437 -4.056
109 3HG1 VAL 11 3HG1 VAL 11 6.813 1.412 -2.788
110 1HG2 VAL 11 1HG2 VAL 11 2.810 0.886 -2.767
111 2HG2 VAL 11 2HG2 VAL 11 3.517 -0.720 -2.601
112 3HG2 VAL 11 3HG2 VAL 11 3.949 0.295 -3.977
113 H LEU 12 H LEU 12 5.559 0.462 1.004
114 HA LEU 12 HA LEU 12 7.811 2.104 1.288
115 1HB LEU 12 2HB LEU 12 6.279 0.329 3.195
116 2HB LEU 12 1HB LEU 12 7.606 1.353 3.731
117 HG LEU 12 HG LEU 12 5.148 2.434 2.354
118 1HD1 LEU 12 1HD1 LEU 12 4.837 1.247 4.644
119 2HD1 LEU 12 2HD1 LEU 12 4.135 2.846 4.387
120 3HD1 LEU 12 3HD1 LEU 12 5.641 2.678 5.291
121 1HD2 LEU 12 1HD2 LEU 12 5.901 4.567 3.086
122 2HD2 LEU 12 2HD2 LEU 12 7.268 3.773 2.303
123 3HD2 LEU 12 3HD2 LEU 12 7.183 3.849 4.063
124 H LYS 13 H LYS 13 7.287 -1.304 1.311
125 HA LYS 13 HA LYS 13 9.879 -2.053 2.288
126 1HB LYS 13 2HB LYS 13 7.868 -3.449 2.655
127 2HB LYS 13 1HB LYS 13 7.737 -3.684 0.917
128 1HG LYS 13 2HG LYS 13 8.875 -5.564 1.299
129 2HG LYS 13 1HG LYS 13 10.287 -4.505 1.373
130 1HD LYS 13 2HD LYS 13 9.361 -4.312 3.913
131 2HD LYS 13 1HD LYS 13 8.895 -5.966 3.514
132 1HE LYS 13 2HE LYS 13 11.496 -5.686 2.544
133 2HE LYS 13 1HE LYS 13 11.503 -4.879 4.112
134 1HZ LYS 13 1HZ LYS 13 11.690 -6.887 5.004
135 2HZ LYS 13 2HZ LYS 13 11.422 -7.657 3.523
136 3HZ LYS 13 3HZ LYS 13 10.110 -7.221 4.497
137 H VAL 14 H VAL 14 8.189 -1.809 -0.734
138 HA VAL 14 HA VAL 14 10.197 -2.901 -2.379
139 HB VAL 14 HB VAL 14 7.739 -1.258 -2.872
140 1HG1 VAL 14 1HG1 VAL 14 8.005 -1.612 -5.271
141 2HG1 VAL 14 2HG1 VAL 14 9.536 -2.441 -5.001
142 3HG1 VAL 14 3HG1 VAL 14 9.388 -0.722 -4.635
143 1HG2 VAL 14 1HG2 VAL 14 6.662 -3.200 -3.315
144 2HG2 VAL 14 2HG2 VAL 14 7.895 -3.830 -2.224
145 3HG2 VAL 14 3HG2 VAL 14 8.099 -3.986 -3.969
146 H LEU 15 H LEU 15 9.633 0.084 -0.923
147 HA LEU 15 HA LEU 15 10.883 1.886 -2.659
148 1HB LEU 15 2HB LEU 15 9.542 2.011 -0.285
149 2HB LEU 15 1HB LEU 15 11.175 2.404 0.217
150 HG LEU 15 HG LEU 15 10.925 4.039 -1.932
151 1HD1 LEU 15 1HD1 LEU 15 8.812 4.863 -2.243
152 2HD1 LEU 15 2HD1 LEU 15 8.258 4.354 -0.647
153 3HD1 LEU 15 3HD1 LEU 15 8.454 3.164 -1.934
154 1HD2 LEU 15 1HD2 LEU 15 9.934 4.795 0.807
155 2HD2 LEU 15 2HD2 LEU 15 10.744 5.818 -0.379
156 3HD2 LEU 15 3HD2 LEU 15 11.637 4.535 0.436
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 -5.704 5.376 2.031
2 2H LYS 1 2HT LYS 1 -7.132 4.529 1.603
3 3H LYS 1 3HT LYS 1 -5.610 3.749 1.503
4 HA LYS 1 HA LYS 1 -5.362 4.031 3.884
5 1HB LYS 1 2HB LYS 1 -7.683 4.387 5.019
6 2HB LYS 1 1HB LYS 1 -6.727 5.776 4.528
7 1HG LYS 1 2HG LYS 1 -8.119 6.263 2.743
8 2HG LYS 1 1HG LYS 1 -8.779 4.626 2.683
9 1HD LYS 1 2HD LYS 1 -10.200 4.992 4.469
10 2HD LYS 1 1HD LYS 1 -9.220 6.313 5.109
11 1HE LYS 1 2HE LYS 1 -10.941 7.520 4.227
12 2HE LYS 1 1HE LYS 1 -9.890 7.440 2.813
13 1HZ LYS 1 1HZ LYS 1 -12.264 6.902 2.378
14 2HZ LYS 1 2HZ LYS 1 -12.088 5.517 3.332
15 3HZ LYS 1 3HZ LYS 1 -11.185 5.685 1.911
16 H TRP 2 H TRP 2 -7.821 2.828 1.839
17 HA TRP 2 HA TRP 2 -8.468 0.712 3.461
18 1HB TRP 2 2HB TRP 2 -9.599 0.004 1.103
19 2HB TRP 2 1HB TRP 2 -10.345 0.961 2.372
20 HD1 TRP 2 HD TRP 2 -11.540 2.703 0.990
21 HE1 TRP 2 1HE TRP 2 -10.804 4.492 -0.733
22 HE3 TRP 2 3HE TRP 2 -6.851 1.268 0.633
23 HZ2 TRP 2 2HZ TRP 2 -8.343 5.184 -2.074
24 HZ3 TRP 2 3HZ TRP 2 -5.300 2.464 -0.796
25 HH2 TRP 2 HH TRP 2 -5.998 4.403 -2.147
26 H LYS 3 H LYS 3 -8.210 -0.525 0.269
27 HA LYS 3 HA LYS 3 -6.584 -2.648 1.307
28 1HB LYS 3 2HB LYS 3 -8.756 -2.891 -0.096
29 2HB LYS 3 1HB LYS 3 -7.684 -2.628 -1.463
30 1HG LYS 3 2HG LYS 3 -7.765 -4.925 -1.319
31 2HG LYS 3 1HG LYS 3 -6.287 -4.543 -0.435
32 1HD LYS 3 2HD LYS 3 -7.090 -5.490 1.412
33 2HD LYS 3 1HD LYS 3 -8.532 -4.474 1.351
34 1HE LYS 3 2HE LYS 3 -9.411 -6.614 1.232
35 2HE LYS 3 1HE LYS 3 -9.333 -6.133 -0.463
36 1HZ LYS 3 1HZ LYS 3 -6.986 -7.260 -0.276
37 2HZ LYS 3 2HZ LYS 3 -8.375 -8.178 -0.576
38 3HZ LYS 3 3HZ LYS 3 -7.731 -8.108 0.986
39 H LEU 4 H LEU 4 -6.107 0.052 -0.342
40 HA LEU 4 HA LEU 4 -3.725 -0.939 -1.687
41 1HB LEU 4 2HB LEU 4 -5.558 1.190 -2.197
42 2HB LEU 4 1HB LEU 4 -3.913 1.784 -2.078
43 HG LEU 4 HG LEU 4 -3.786 -0.494 -3.720
44 1HD1 LEU 4 1HD1 LEU 4 -6.332 -0.013 -3.855
45 2HD1 LEU 4 2HD1 LEU 4 -5.424 -0.316 -5.337
46 3HD1 LEU 4 3HD1 LEU 4 -5.843 1.336 -4.882
47 1HD2 LEU 4 1HD2 LEU 4 -2.292 1.237 -4.129
48 2HD2 LEU 4 2HD2 LEU 4 -3.561 2.462 -4.148
49 3HD2 LEU 4 3HD2 LEU 4 -3.399 1.337 -5.496
50 H PHE 5 H PHE 5 -4.895 0.887 1.023
51 HA PHE 5 HA PHE 5 -2.533 2.320 1.660
52 1HB PHE 5 2HB PHE 5 -4.527 2.878 2.808
53 2HB PHE 5 1HB PHE 5 -4.803 1.219 3.324
54 HD1 PHE 5 1HD PHE 5 -3.589 0.306 5.214
55 HD2 PHE 5 2HD PHE 5 -2.909 4.291 3.896
56 HE1 PHE 5 1HE PHE 5 -2.373 0.782 7.300
57 HE2 PHE 5 2HE PHE 5 -1.696 4.781 5.983
58 HZ PHE 5 HZ PHE 5 -1.425 3.022 7.686
59 H LYS 6 H LYS 6 -3.595 -0.859 1.801
60 HA LYS 6 HA LYS 6 -1.523 -1.810 3.513
61 1HB LYS 6 2HB LYS 6 -2.588 -3.919 3.389
62 2HB LYS 6 1HB LYS 6 -3.881 -2.726 3.435
63 1HG LYS 6 2HG LYS 6 -4.651 -3.287 1.435
64 2HG LYS 6 1HG LYS 6 -3.037 -3.444 0.732
65 1HD LYS 6 2HD LYS 6 -3.937 -5.507 2.682
66 2HD LYS 6 1HD LYS 6 -4.623 -5.540 1.056
67 1HE LYS 6 2HE LYS 6 -2.131 -5.333 0.311
68 2HE LYS 6 1HE LYS 6 -1.794 -5.935 1.934
69 1HZ LYS 6 1HZ LYS 6 -3.613 -7.305 0.035
70 2HZ LYS 6 2HZ LYS 6 -3.003 -7.907 1.492
71 3HZ LYS 6 3HZ LYS 6 -1.968 -7.674 0.175
72 H LYS 7 H LYS 7 -2.266 -1.398 0.138
73 HA LYS 7 HA LYS 7 0.005 -3.000 -0.691
74 1HB LYS 7 2HB LYS 7 -2.372 -2.368 -1.922
75 2HB LYS 7 1HB LYS 7 -1.237 -1.279 -2.705
76 1HG LYS 7 2HG LYS 7 -0.888 -4.263 -2.505
77 2HG LYS 7 1HG LYS 7 -1.549 -3.415 -3.904
78 1HD LYS 7 2HD LYS 7 1.195 -2.916 -2.756
79 2HD LYS 7 1HD LYS 7 0.868 -3.999 -4.108
80 1HE LYS 7 2HE LYS 7 -0.016 -1.133 -4.158
81 2HE LYS 7 1HE LYS 7 1.621 -1.593 -4.621
82 1HZ LYS 7 1HZ LYS 7 -0.786 -2.819 -5.839
83 2HZ LYS 7 2HZ LYS 7 0.811 -2.889 -6.392
84 3HZ LYS 7 3HZ LYS 7 -0.048 -1.435 -6.473
85 H ILE 8 H ILE 8 -0.540 0.042 0.489
86 HA ILE 8 HA ILE 8 1.648 1.169 -1.033
87 HB ILE 8 HB ILE 8 -0.354 2.379 0.842
88 1HG1 ILE 8 2HG1 ILE 8 -0.904 2.081 -1.566
89 2HG1 ILE 8 1HG1 ILE 8 -0.919 3.764 -1.052
90 1HG2 ILE 8 1HG2 ILE 8 1.709 3.383 1.528
91 2HG2 ILE 8 2HG2 ILE 8 0.811 4.556 0.564
92 3HG2 ILE 8 3HG2 ILE 8 2.173 3.689 -0.147
93 1HD1 ILE 8 1HD1 ILE 8 0.681 2.454 -3.072
94 2HD1 ILE 8 2HD1 ILE 8 1.665 3.374 -1.934
95 3HD1 ILE 8 3HD1 ILE 8 0.362 4.169 -2.815
96 H GLY 9 H GLY 9 0.843 0.082 2.121
97 1HA GLY 9 2HA GLY 9 3.059 1.088 3.540
98 2HA GLY 9 1HA GLY 9 2.133 -0.343 3.984
99 H ALA 10 H ALA 10 2.592 -1.844 1.628
100 HA ALA 10 HA ALA 10 5.199 -2.821 2.279
101 1HB ALA 10 1HB ALA 10 3.941 -4.638 1.725
102 2HB ALA 10 2HB ALA 10 4.590 -4.288 0.122
103 3HB ALA 10 3HB ALA 10 2.968 -3.743 0.556
104 H VAL 11 H VAL 11 3.818 -0.764 -0.173
105 HA VAL 11 HA VAL 11 5.842 -0.949 -2.089
106 HB VAL 11 HB VAL 11 3.622 0.682 -1.742
107 1HG1 VAL 11 1HG1 VAL 11 6.022 2.499 -1.850
108 2HG1 VAL 11 2HG1 VAL 11 5.016 2.255 -0.423
109 3HG1 VAL 11 3HG1 VAL 11 4.324 2.973 -1.877
110 1HG2 VAL 11 1HG2 VAL 11 3.811 0.987 -3.968
111 2HG2 VAL 11 2HG2 VAL 11 5.102 -0.204 -3.806
112 3HG2 VAL 11 3HG2 VAL 11 5.490 1.515 -3.861
113 H LEU 12 H LEU 12 5.644 0.528 1.016
114 HA LEU 12 HA LEU 12 7.903 2.160 1.118
115 1HB LEU 12 2HB LEU 12 6.634 0.326 3.164
116 2HB LEU 12 1HB LEU 12 7.918 1.465 3.558
117 HG LEU 12 HG LEU 12 5.293 2.347 2.370
118 1HD1 LEU 12 1HD1 LEU 12 4.351 2.612 4.449
119 2HD1 LEU 12 2HD1 LEU 12 5.910 2.603 5.276
120 3HD1 LEU 12 3HD1 LEU 12 5.230 1.097 4.660
121 1HD2 LEU 12 1HD2 LEU 12 6.919 4.070 4.129
122 2HD2 LEU 12 2HD2 LEU 12 6.015 4.467 2.666
123 3HD2 LEU 12 3HD2 LEU 12 7.602 3.708 2.543
124 H LYS 13 H LYS 13 7.400 -1.264 1.563
125 HA LYS 13 HA LYS 13 10.058 -2.003 2.186
126 1HB LYS 13 2HB LYS 13 7.710 -3.534 1.065
127 2HB LYS 13 1HB LYS 13 9.224 -4.296 1.544
128 1HG LYS 13 2HG LYS 13 8.899 -3.693 3.826
129 2HG LYS 13 1HG LYS 13 7.524 -2.665 3.415
130 1HD LYS 13 2HD LYS 13 6.190 -4.548 2.830
131 2HD LYS 13 1HD LYS 13 7.579 -5.634 2.910
132 1HE LYS 13 2HE LYS 13 6.809 -6.087 4.973
133 2HE LYS 13 1HE LYS 13 7.611 -4.578 5.404
134 1HZ LYS 13 1HZ LYS 13 5.539 -4.209 6.240
135 2HZ LYS 13 2HZ LYS 13 4.756 -5.133 5.060
136 3HZ LYS 13 3HZ LYS 13 5.316 -3.582 4.684
137 H VAL 14 H VAL 14 8.210 -1.632 -0.723
138 HA VAL 14 HA VAL 14 10.111 -2.803 -2.468
139 HB VAL 14 HB VAL 14 7.407 -1.992 -2.557
140 1HG1 VAL 14 1HG1 VAL 14 8.971 -0.810 -4.856
141 2HG1 VAL 14 2HG1 VAL 14 8.209 0.118 -3.564
142 3HG1 VAL 14 3HG1 VAL 14 7.218 -0.831 -4.670
143 1HG2 VAL 14 1HG2 VAL 14 8.921 -4.006 -3.546
144 2HG2 VAL 14 2HG2 VAL 14 8.577 -3.099 -5.019
145 3HG2 VAL 14 3HG2 VAL 14 7.252 -3.694 -4.019
146 H LEU 15 H LEU 15 10.020 0.058 -0.842
147 HA LEU 15 HA LEU 15 11.394 1.590 -2.931
148 1HB LEU 15 2HB LEU 15 9.418 2.241 -1.076
149 2HB LEU 15 1HB LEU 15 10.874 2.996 -0.450
150 HG LEU 15 HG LEU 15 9.607 4.543 -1.857
151 1HD1 LEU 15 1HD1 LEU 15 11.930 3.985 -3.588
152 2HD1 LEU 15 2HD1 LEU 15 12.268 4.200 -1.870
153 3HD1 LEU 15 3HD1 LEU 15 11.447 5.473 -2.773
154 1HD2 LEU 15 1HD2 LEU 15 8.898 2.455 -3.353
155 2HD2 LEU 15 2HD2 LEU 15 10.248 3.040 -4.325
156 3HD2 LEU 15 3HD2 LEU 15 8.891 4.108 -3.965
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -4.654 4.298 4.134
2 2H LYS 1 2HT LYS 1 -5.239 3.202 5.316
3 3H LYS 1 3HT LYS 1 -5.794 4.824 5.297
4 HA LYS 1 HA LYS 1 -7.468 4.168 4.128
5 1HB LYS 1 2HB LYS 1 -5.246 4.474 2.366
6 2HB LYS 1 1HB LYS 1 -6.253 3.175 1.749
7 1HG LYS 1 2HG LYS 1 -7.912 4.566 1.162
8 2HG LYS 1 1HG LYS 1 -7.722 5.563 2.605
9 1HD LYS 1 2HD LYS 1 -6.230 6.961 1.609
10 2HD LYS 1 1HD LYS 1 -5.557 5.689 0.586
11 1HE LYS 1 2HE LYS 1 -8.027 5.840 -0.449
12 2HE LYS 1 1HE LYS 1 -7.849 7.499 0.117
13 1HZ LYS 1 1HZ LYS 1 -6.538 7.947 -1.595
14 2HZ LYS 1 2HZ LYS 1 -6.843 6.403 -2.215
15 3HZ LYS 1 3HZ LYS 1 -5.499 6.664 -1.222
16 H TRP 2 H TRP 2 -8.133 2.265 2.351
17 HA TRP 2 HA TRP 2 -8.316 0.066 3.985
18 1HB TRP 2 2HB TRP 2 -9.552 -0.817 1.776
19 2HB TRP 2 1HB TRP 2 -10.291 0.102 3.076
20 HD1 TRP 2 HD TRP 2 -11.820 1.579 1.725
21 HE1 TRP 2 1HE TRP 2 -11.471 3.369 -0.114
22 HE3 TRP 2 3HE TRP 2 -7.018 0.785 1.045
23 HZ2 TRP 2 2HZ TRP 2 -9.243 4.330 -1.670
24 HZ3 TRP 2 3HZ TRP 2 -5.764 2.121 -0.542
25 HH2 TRP 2 HH TRP 2 -6.824 3.876 -1.901
26 H LYS 3 H LYS 3 -8.193 -1.118 0.776
27 HA LYS 3 HA LYS 3 -6.289 -3.076 1.645
28 1HB LYS 3 2HB LYS 3 -8.250 -2.907 -0.576
29 2HB LYS 3 1HB LYS 3 -6.907 -4.030 -0.728
30 1HG LYS 3 2HG LYS 3 -7.593 -5.026 1.455
31 2HG LYS 3 1HG LYS 3 -9.028 -3.999 1.405
32 1HD LYS 3 2HD LYS 3 -9.868 -5.903 0.448
33 2HD LYS 3 1HD LYS 3 -9.287 -5.065 -0.993
34 1HE LYS 3 2HE LYS 3 -8.180 -6.958 -1.434
35 2HE LYS 3 1HE LYS 3 -7.063 -6.437 -0.175
36 1HZ LYS 3 1HZ LYS 3 -9.405 -7.841 0.780
37 2HZ LYS 3 2HZ LYS 3 -7.783 -8.012 1.227
38 3HZ LYS 3 3HZ LYS 3 -8.361 -8.777 -0.167
39 H LEU 4 H LEU 4 -6.184 -0.326 0.012
40 HA LEU 4 HA LEU 4 -3.835 -1.090 -1.519
41 1HB LEU 4 2HB LEU 4 -5.894 0.829 -1.891
42 2HB LEU 4 1HB LEU 4 -4.328 1.618 -1.838
43 HG LEU 4 HG LEU 4 -4.915 -0.713 -3.649
44 1HD1 LEU 4 1HD1 LEU 4 -6.194 1.682 -3.868
45 2HD1 LEU 4 2HD1 LEU 4 -5.851 0.589 -5.209
46 3HD1 LEU 4 3HD1 LEU 4 -4.767 1.940 -4.872
47 1HD2 LEU 4 1HD2 LEU 4 -2.763 -0.575 -4.165
48 2HD2 LEU 4 2HD2 LEU 4 -2.559 0.697 -2.962
49 3HD2 LEU 4 3HD2 LEU 4 -2.962 1.115 -4.626
50 H PHE 5 H PHE 5 -4.953 0.611 1.292
51 HA PHE 5 HA PHE 5 -2.687 2.230 1.797
52 1HB PHE 5 2HB PHE 5 -4.551 2.626 3.169
53 2HB PHE 5 1HB PHE 5 -4.781 0.919 3.521
54 HD1 PHE 5 1HD PHE 5 -2.737 3.897 4.254
55 HD2 PHE 5 2HD PHE 5 -3.634 -0.119 5.329
56 HE1 PHE 5 1HE PHE 5 -1.440 4.167 6.328
57 HE2 PHE 5 2HE PHE 5 -2.341 0.142 7.405
58 HZ PHE 5 HZ PHE 5 -1.240 2.288 7.906
59 H LYS 6 H LYS 6 -3.466 -1.034 1.948
60 HA LYS 6 HA LYS 6 -1.200 -1.829 3.475
61 1HB LYS 6 2HB LYS 6 -2.096 -4.011 3.410
62 2HB LYS 6 1HB LYS 6 -3.479 -2.932 3.550
63 1HG LYS 6 2HG LYS 6 -4.338 -3.570 1.615
64 2HG LYS 6 1HG LYS 6 -2.775 -3.547 0.791
65 1HD LYS 6 2HD LYS 6 -2.704 -5.709 2.603
66 2HD LYS 6 1HD LYS 6 -4.265 -5.787 1.786
67 1HE LYS 6 2HE LYS 6 -2.979 -6.977 0.314
68 2HE LYS 6 1HE LYS 6 -2.794 -5.355 -0.352
69 1HZ LYS 6 1HZ LYS 6 -0.669 -6.465 -0.200
70 2HZ LYS 6 2HZ LYS 6 -0.878 -6.724 1.458
71 3HZ LYS 6 3HZ LYS 6 -0.704 -5.150 0.864
72 H LYS 7 H LYS 7 -2.200 -1.427 0.167
73 HA LYS 7 HA LYS 7 0.098 -2.866 -0.854
74 1HB LYS 7 2HB LYS 7 -2.371 -2.355 -1.914
75 2HB LYS 7 1HB LYS 7 -1.384 -1.134 -2.700
76 1HG LYS 7 2HG LYS 7 -0.731 -4.072 -2.696
77 2HG LYS 7 1HG LYS 7 -1.638 -3.263 -3.973
78 1HD LYS 7 2HD LYS 7 1.155 -2.516 -3.109
79 2HD LYS 7 1HD LYS 7 0.770 -3.537 -4.494
80 1HE LYS 7 2HE LYS 7 -0.260 -0.725 -4.164
81 2HE LYS 7 1HE LYS 7 1.226 -1.120 -5.023
82 1HZ LYS 7 1HZ LYS 7 -1.091 -0.931 -6.243
83 2HZ LYS 7 2HZ LYS 7 -1.189 -2.562 -5.802
84 3HZ LYS 7 3HZ LYS 7 0.102 -2.019 -6.752
85 H ILE 8 H ILE 8 -0.674 0.190 0.280
86 HA ILE 8 HA ILE 8 1.432 1.419 -1.250
87 HB ILE 8 HB ILE 8 -0.562 2.517 0.711
88 1HG1 ILE 8 2HG1 ILE 8 -0.036 3.574 -2.041
89 2HG1 ILE 8 1HG1 ILE 8 -0.934 2.071 -1.853
90 1HG2 ILE 8 1HG2 ILE 8 1.451 3.689 1.254
91 2HG2 ILE 8 2HG2 ILE 8 0.442 4.767 0.289
92 3HG2 ILE 8 3HG2 ILE 8 1.821 3.953 -0.450
93 1HD1 ILE 8 1HD1 ILE 8 -1.683 4.677 -0.553
94 2HD1 ILE 8 2HD1 ILE 8 -2.617 3.181 -0.557
95 3HD1 ILE 8 3HD1 ILE 8 -2.367 4.068 -2.060
96 H GLY 9 H GLY 9 0.789 0.287 1.923
97 1HA GLY 9 2HA GLY 9 3.094 1.391 3.185
98 2HA GLY 9 1HA GLY 9 2.127 0.049 3.790
99 H ALA 10 H ALA 10 2.413 -1.572 1.419
100 HA ALA 10 HA ALA 10 4.879 -2.787 2.121
101 1HB ALA 10 1HB ALA 10 2.705 -3.399 0.194
102 2HB ALA 10 2HB ALA 10 3.491 -4.441 1.381
103 3HB ALA 10 3HB ALA 10 4.296 -4.084 -0.149
104 H VAL 11 H VAL 11 3.888 -0.497 -0.317
105 HA VAL 11 HA VAL 11 6.045 -0.788 -2.073
106 HB VAL 11 HB VAL 11 4.755 1.813 -1.212
107 1HG1 VAL 11 1HG1 VAL 11 7.038 1.566 -2.615
108 2HG1 VAL 11 2HG1 VAL 11 5.888 2.884 -2.843
109 3HG1 VAL 11 3HG1 VAL 11 5.859 1.492 -3.925
110 1HG2 VAL 11 1HG2 VAL 11 2.999 1.378 -2.533
111 2HG2 VAL 11 2HG2 VAL 11 3.512 -0.305 -2.409
112 3HG2 VAL 11 3HG2 VAL 11 4.005 0.667 -3.795
113 H LEU 12 H LEU 12 5.717 0.630 1.076
114 HA LEU 12 HA LEU 12 8.086 2.038 1.416
115 1HB LEU 12 2HB LEU 12 6.404 0.310 3.219
116 2HB LEU 12 1HB LEU 12 7.887 1.038 3.818
117 HG LEU 12 HG LEU 12 5.741 2.289 4.328
118 1HD1 LEU 12 1HD1 LEU 12 6.782 4.518 3.691
119 2HD1 LEU 12 2HD1 LEU 12 8.077 3.579 2.951
120 3HD1 LEU 12 3HD1 LEU 12 7.760 3.434 4.679
121 1HD2 LEU 12 1HD2 LEU 12 5.946 2.939 1.390
122 2HD2 LEU 12 2HD2 LEU 12 4.883 3.744 2.545
123 3HD2 LEU 12 3HD2 LEU 12 4.652 2.035 2.175
124 H LYS 13 H LYS 13 7.336 -1.343 1.391
125 HA LYS 13 HA LYS 13 9.905 -2.274 2.245
126 1HB LYS 13 2HB LYS 13 7.550 -3.648 0.955
127 2HB LYS 13 1HB LYS 13 8.997 -4.496 1.487
128 1HG LYS 13 2HG LYS 13 8.540 -3.524 3.789
129 2HG LYS 13 1HG LYS 13 6.955 -3.071 3.163
130 1HD LYS 13 2HD LYS 13 6.371 -5.338 2.757
131 2HD LYS 13 1HD LYS 13 8.027 -5.882 3.034
132 1HE LYS 13 2HE LYS 13 7.081 -4.445 5.328
133 2HE LYS 13 1HE LYS 13 5.926 -5.706 4.899
134 1HZ LYS 13 1HZ LYS 13 7.712 -7.323 4.953
135 2HZ LYS 13 2HZ LYS 13 7.611 -6.513 6.435
136 3HZ LYS 13 3HZ LYS 13 8.835 -6.115 5.337
137 H VAL 14 H VAL 14 8.211 -1.804 -0.756
138 HA VAL 14 HA VAL 14 10.184 -2.970 -2.418
139 HB VAL 14 HB VAL 14 7.623 -1.527 -2.772
140 1HG1 VAL 14 1HG1 VAL 14 8.839 -0.300 -4.391
141 2HG1 VAL 14 2HG1 VAL 14 7.995 -1.563 -5.287
142 3HG1 VAL 14 3HG1 VAL 14 9.714 -1.731 -4.933
143 1HG2 VAL 14 1HG2 VAL 14 7.644 -3.580 -4.542
144 2HG2 VAL 14 2HG2 VAL 14 7.120 -3.711 -2.863
145 3HG2 VAL 14 3HG2 VAL 14 8.760 -4.178 -3.313
146 H LEU 15 H LEU 15 9.982 -0.110 -0.759
147 HA LEU 15 HA LEU 15 11.380 1.560 -2.659
148 1HB LEU 15 2HB LEU 15 9.706 1.953 -0.447
149 2HB LEU 15 1HB LEU 15 11.270 2.587 0.037
150 HG LEU 15 HG LEU 15 10.380 3.438 -2.638
151 1HD1 LEU 15 1HD1 LEU 15 9.039 4.757 -0.317
152 2HD1 LEU 15 2HD1 LEU 15 8.299 3.354 -1.089
153 3HD1 LEU 15 3HD1 LEU 15 8.626 4.810 -2.031
154 1HD2 LEU 15 1HD2 LEU 15 11.443 4.898 -0.222
155 2HD2 LEU 15 2HD2 LEU 15 11.212 5.592 -1.827
156 3HD2 LEU 15 3HD2 LEU 15 12.395 4.307 -1.582
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -6.546 2.859 -0.187
2 2H LYS 1 2HT LYS 1 -7.335 4.335 -0.565
3 3H LYS 1 3HT LYS 1 -8.237 2.881 -0.458
4 HA LYS 1 HA LYS 1 -6.857 4.271 1.715
5 1HB LYS 1 2HB LYS 1 -9.173 4.517 2.587
6 2HB LYS 1 1HB LYS 1 -8.890 5.382 1.084
7 1HG LYS 1 2HG LYS 1 -9.986 3.585 -0.158
8 2HG LYS 1 1HG LYS 1 -10.267 2.717 1.352
9 1HD LYS 1 2HD LYS 1 -12.240 3.786 1.375
10 2HD LYS 1 1HD LYS 1 -11.306 5.189 1.902
11 1HE LYS 1 2HE LYS 1 -12.300 6.161 0.122
12 2HE LYS 1 1HE LYS 1 -10.976 5.396 -0.754
13 1HZ LYS 1 1HZ LYS 1 -12.549 4.426 -1.965
14 2HZ LYS 1 2HZ LYS 1 -13.782 4.883 -0.902
15 3HZ LYS 1 3HZ LYS 1 -12.904 3.466 -0.617
16 H TRP 2 H TRP 2 -8.729 1.543 0.745
17 HA TRP 2 HA TRP 2 -8.419 0.283 3.248
18 1HB TRP 2 2HB TRP 2 -9.657 -1.596 1.786
19 2HB TRP 2 1HB TRP 2 -10.451 -0.354 2.758
20 HD1 TRP 2 HD TRP 2 -12.333 0.480 1.281
21 HE1 TRP 2 1HE TRP 2 -12.522 1.225 -1.193
22 HE3 TRP 2 3HE TRP 2 -7.664 -0.310 0.034
23 HZ2 TRP 2 2HZ TRP 2 -10.775 1.378 -3.463
24 HZ3 TRP 2 3HZ TRP 2 -6.920 0.039 -2.218
25 HH2 TRP 2 HH TRP 2 -8.400 0.929 -3.978
26 H LYS 3 H LYS 3 -8.270 -1.811 0.445
27 HA LYS 3 HA LYS 3 -6.009 -3.159 1.530
28 1HB LYS 3 2HB LYS 3 -8.071 -4.155 0.293
29 2HB LYS 3 1HB LYS 3 -7.166 -3.750 -1.158
30 1HG LYS 3 2HG LYS 3 -5.355 -5.095 0.488
31 2HG LYS 3 1HG LYS 3 -6.870 -5.989 0.621
32 1HD LYS 3 2HD LYS 3 -6.822 -6.653 -1.548
33 2HD LYS 3 1HD LYS 3 -6.067 -5.158 -2.100
34 1HE LYS 3 2HE LYS 3 -4.060 -6.203 -0.630
35 2HE LYS 3 1HE LYS 3 -4.844 -7.680 -1.188
36 1HZ LYS 3 1HZ LYS 3 -4.742 -6.254 -3.445
37 2HZ LYS 3 2HZ LYS 3 -3.551 -7.360 -2.976
38 3HZ LYS 3 3HZ LYS 3 -3.335 -5.709 -2.680
39 H LEU 4 H LEU 4 -6.160 -0.479 -0.033
40 HA LEU 4 HA LEU 4 -3.951 -0.839 -1.895
41 1HB LEU 4 2HB LEU 4 -6.028 1.155 -1.446
42 2HB LEU 4 1HB LEU 4 -4.429 1.850 -1.564
43 HG LEU 4 HG LEU 4 -4.133 1.281 -3.782
44 1HD1 LEU 4 1HD1 LEU 4 -5.635 -1.081 -3.089
45 2HD1 LEU 4 2HD1 LEU 4 -4.485 -0.818 -4.398
46 3HD1 LEU 4 3HD1 LEU 4 -6.183 -0.403 -4.622
47 1HD2 LEU 4 1HD2 LEU 4 -6.687 1.504 -4.717
48 2HD2 LEU 4 2HD2 LEU 4 -5.646 2.851 -4.255
49 3HD2 LEU 4 3HD2 LEU 4 -6.817 2.208 -3.105
50 H PHE 5 H PHE 5 -5.035 0.860 0.866
51 HA PHE 5 HA PHE 5 -2.884 2.331 1.709
52 1HB PHE 5 2HB PHE 5 -5.427 1.593 2.504
53 2HB PHE 5 1HB PHE 5 -4.394 0.962 3.795
54 HD1 PHE 5 1HD PHE 5 -4.997 4.083 1.859
55 HD2 PHE 5 2HD PHE 5 -3.749 2.346 5.536
56 HE1 PHE 5 1HE PHE 5 -4.856 6.325 2.865
57 HE2 PHE 5 2HE PHE 5 -3.604 4.584 6.549
58 HZ PHE 5 HZ PHE 5 -4.157 6.577 5.213
59 H LYS 6 H LYS 6 -3.699 -0.962 1.941
60 HA LYS 6 HA LYS 6 -1.546 -1.747 3.605
61 1HB LYS 6 2HB LYS 6 -2.606 -3.775 3.726
62 2HB LYS 6 1HB LYS 6 -3.962 -2.746 3.283
63 1HG LYS 6 2HG LYS 6 -4.238 -3.735 1.303
64 2HG LYS 6 1HG LYS 6 -2.510 -3.903 1.007
65 1HD LYS 6 2HD LYS 6 -3.322 -6.102 1.222
66 2HD LYS 6 1HD LYS 6 -2.547 -5.741 2.765
67 1HE LYS 6 2HE LYS 6 -5.151 -4.889 3.127
68 2HE LYS 6 1HE LYS 6 -5.325 -6.361 2.172
69 1HZ LYS 6 1HZ LYS 6 -5.286 -6.601 4.681
70 2HZ LYS 6 2HZ LYS 6 -3.630 -6.270 4.593
71 3HZ LYS 6 3HZ LYS 6 -4.263 -7.625 3.804
72 H LYS 7 H LYS 7 -2.242 -1.346 0.228
73 HA LYS 7 HA LYS 7 0.096 -2.894 -0.583
74 1HB LYS 7 2HB LYS 7 -2.063 -2.927 -1.897
75 2HB LYS 7 1HB LYS 7 -1.733 -1.253 -2.324
76 1HG LYS 7 2HG LYS 7 0.593 -2.385 -3.057
77 2HG LYS 7 1HG LYS 7 -0.508 -3.739 -3.313
78 1HD LYS 7 2HD LYS 7 -0.301 -2.435 -5.348
79 2HD LYS 7 1HD LYS 7 -1.936 -2.290 -4.698
80 1HE LYS 7 2HE LYS 7 -1.582 -0.106 -3.968
81 2HE LYS 7 1HE LYS 7 0.172 -0.275 -4.014
82 1HZ LYS 7 1HZ LYS 7 -0.073 -0.481 -6.490
83 2HZ LYS 7 2HZ LYS 7 -0.425 1.044 -5.852
84 3HZ LYS 7 3HZ LYS 7 -1.682 0.009 -6.306
85 H ILE 8 H ILE 8 -0.620 0.184 0.436
86 HA ILE 8 HA ILE 8 1.487 1.355 -1.131
87 HB ILE 8 HB ILE 8 -0.507 2.497 0.794
88 1HG1 ILE 8 2HG1 ILE 8 0.187 3.523 -1.943
89 2HG1 ILE 8 1HG1 ILE 8 -0.852 2.114 -1.750
90 1HG2 ILE 8 1HG2 ILE 8 1.538 3.588 1.431
91 2HG2 ILE 8 2HG2 ILE 8 0.563 4.720 0.494
92 3HG2 ILE 8 3HG2 ILE 8 1.941 3.913 -0.256
93 1HD1 ILE 8 1HD1 ILE 8 -1.767 4.620 -1.897
94 2HD1 ILE 8 2HD1 ILE 8 -1.567 4.481 -0.150
95 3HD1 ILE 8 3HD1 ILE 8 -2.593 3.336 -1.015
96 H GLY 9 H GLY 9 0.899 0.175 2.022
97 1HA GLY 9 2HA GLY 9 3.214 1.288 3.274
98 2HA GLY 9 1HA GLY 9 2.260 -0.067 3.875
99 H ALA 10 H ALA 10 2.516 -1.666 1.487
100 HA ALA 10 HA ALA 10 4.994 -2.884 2.136
101 1HB ALA 10 1HB ALA 10 4.374 -4.123 -0.169
102 2HB ALA 10 2HB ALA 10 2.788 -3.469 0.246
103 3HB ALA 10 3HB ALA 10 3.626 -4.536 1.373
104 H VAL 11 H VAL 11 3.955 -0.585 -0.284
105 HA VAL 11 HA VAL 11 6.127 -0.835 -2.036
106 HB VAL 11 HB VAL 11 4.736 1.726 -1.203
107 1HG1 VAL 11 1HG1 VAL 11 5.835 1.537 -3.904
108 2HG1 VAL 11 2HG1 VAL 11 7.056 1.481 -2.631
109 3HG1 VAL 11 3HG1 VAL 11 5.939 2.844 -2.725
110 1HG2 VAL 11 1HG2 VAL 11 3.072 1.296 -2.676
111 2HG2 VAL 11 2HG2 VAL 11 3.516 -0.375 -2.328
112 3HG2 VAL 11 3HG2 VAL 11 4.129 0.416 -3.781
113 H LEU 12 H LEU 12 5.752 0.539 1.120
114 HA LEU 12 HA LEU 12 8.050 2.047 1.480
115 1HB LEU 12 2HB LEU 12 6.672 0.072 3.319
116 2HB LEU 12 1HB LEU 12 7.926 1.190 3.852
117 HG LEU 12 HG LEU 12 5.225 1.975 2.748
118 1HD1 LEU 12 1HD1 LEU 12 6.349 1.783 5.516
119 2HD1 LEU 12 2HD1 LEU 12 4.806 1.197 4.894
120 3HD1 LEU 12 3HD1 LEU 12 5.060 2.926 5.137
121 1HD2 LEU 12 1HD2 LEU 12 6.450 3.797 2.155
122 2HD2 LEU 12 2HD2 LEU 12 7.685 3.506 3.380
123 3HD2 LEU 12 3HD2 LEU 12 6.138 4.218 3.840
124 H LYS 13 H LYS 13 7.458 -1.366 1.395
125 HA LYS 13 HA LYS 13 10.113 -2.177 2.113
126 1HB LYS 13 2HB LYS 13 7.742 -3.658 0.981
127 2HB LYS 13 1HB LYS 13 9.259 -4.440 1.409
128 1HG LYS 13 2HG LYS 13 8.939 -4.118 3.679
129 2HG LYS 13 1HG LYS 13 7.789 -2.803 3.431
130 1HD LYS 13 2HD LYS 13 6.285 -4.579 2.355
131 2HD LYS 13 1HD LYS 13 7.364 -5.758 3.104
132 1HE LYS 13 2HE LYS 13 6.939 -4.551 5.290
133 2HE LYS 13 1HE LYS 13 5.646 -3.690 4.455
134 1HZ LYS 13 1HZ LYS 13 5.525 -6.194 5.649
135 2HZ LYS 13 2HZ LYS 13 5.395 -6.459 3.984
136 3HZ LYS 13 3HZ LYS 13 4.315 -5.415 4.759
137 H VAL 14 H VAL 14 8.237 -1.750 -0.791
138 HA VAL 14 HA VAL 14 10.174 -2.866 -2.540
139 HB VAL 14 HB VAL 14 7.456 -2.153 -2.672
140 1HG1 VAL 14 1HG1 VAL 14 7.235 -0.896 -4.711
141 2HG1 VAL 14 2HG1 VAL 14 8.986 -0.816 -4.903
142 3HG1 VAL 14 3HG1 VAL 14 8.205 0.035 -3.571
143 1HG2 VAL 14 1HG2 VAL 14 7.404 -3.569 -4.542
144 2HG2 VAL 14 2HG2 VAL 14 8.733 -4.174 -3.553
145 3HG2 VAL 14 3HG2 VAL 14 9.071 -3.195 -4.981
146 H LEU 15 H LEU 15 10.058 -0.048 -0.870
147 HA LEU 15 HA LEU 15 11.148 1.699 -2.902
148 1HB LEU 15 2HB LEU 15 9.696 2.035 -0.568
149 2HB LEU 15 1HB LEU 15 11.296 2.621 -0.145
150 HG LEU 15 HG LEU 15 11.006 3.927 -2.457
151 1HD1 LEU 15 1HD1 LEU 15 8.891 4.336 -3.141
152 2HD1 LEU 15 2HD1 LEU 15 8.221 4.208 -1.515
153 3HD1 LEU 15 3HD1 LEU 15 8.605 2.749 -2.427
154 1HD2 LEU 15 1HD2 LEU 15 11.504 4.965 -0.325
155 2HD2 LEU 15 2HD2 LEU 15 9.829 4.763 0.191
156 3HD2 LEU 15 3HD2 LEU 15 10.217 5.851 -1.142
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 -7.519 4.130 -0.103
2 2H LYS 1 2HT LYS 1 -8.761 2.962 0.088
3 3H LYS 1 3HT LYS 1 -7.115 2.477 0.100
4 HA LYS 1 HA LYS 1 -6.883 4.006 2.052
5 1HB LYS 1 2HB LYS 1 -8.941 4.336 3.325
6 2HB LYS 1 1HB LYS 1 -9.034 5.121 1.758
7 1HG LYS 1 2HG LYS 1 -10.077 2.531 1.421
8 2HG LYS 1 1HG LYS 1 -10.767 3.167 2.912
9 1HD LYS 1 2HD LYS 1 -12.180 3.730 1.020
10 2HD LYS 1 1HD LYS 1 -11.468 5.191 1.707
11 1HE LYS 1 2HE LYS 1 -11.135 5.556 -0.537
12 2HE LYS 1 1HE LYS 1 -9.618 4.772 -0.098
13 1HZ LYS 1 1HZ LYS 1 -10.045 3.139 -1.509
14 2HZ LYS 1 2HZ LYS 1 -11.414 3.977 -2.042
15 3HZ LYS 1 3HZ LYS 1 -11.553 2.831 -0.805
16 H TRP 2 H TRP 2 -8.748 1.281 1.158
17 HA TRP 2 HA TRP 2 -8.220 -0.073 3.576
18 1HB TRP 2 2HB TRP 2 -9.463 -1.945 2.122
19 2HB TRP 2 1HB TRP 2 -10.252 -0.774 3.183
20 HD1 TRP 2 HD TRP 2 -12.256 0.008 1.850
21 HE1 TRP 2 1HE TRP 2 -12.632 0.821 -0.580
22 HE3 TRP 2 3HE TRP 2 -7.637 -0.498 0.301
23 HZ2 TRP 2 2HZ TRP 2 -11.037 1.139 -2.943
24 HZ3 TRP 2 3HZ TRP 2 -7.050 -0.036 -1.977
25 HH2 TRP 2 HH TRP 2 -8.678 0.831 -3.613
26 H LYS 3 H LYS 3 -8.162 -2.044 0.686
27 HA LYS 3 HA LYS 3 -5.775 -3.317 1.567
28 1HB LYS 3 2HB LYS 3 -7.837 -3.819 -0.480
29 2HB LYS 3 1HB LYS 3 -6.243 -4.480 -0.807
30 1HG LYS 3 2HG LYS 3 -7.505 -6.175 0.267
31 2HG LYS 3 1HG LYS 3 -6.328 -5.578 1.439
32 1HD LYS 3 2HD LYS 3 -7.982 -4.324 2.592
33 2HD LYS 3 1HD LYS 3 -9.160 -4.563 1.300
34 1HE LYS 3 2HE LYS 3 -9.449 -5.977 3.391
35 2HE LYS 3 1HE LYS 3 -9.460 -6.829 1.848
36 1HZ LYS 3 1HZ LYS 3 -7.514 -7.856 2.296
37 2HZ LYS 3 2HZ LYS 3 -7.998 -7.610 3.898
38 3HZ LYS 3 3HZ LYS 3 -6.883 -6.559 3.182
39 H LEU 4 H LEU 4 -6.145 -0.592 0.139
40 HA LEU 4 HA LEU 4 -4.057 -0.769 -1.883
41 1HB LEU 4 2HB LEU 4 -6.179 1.106 -1.201
42 2HB LEU 4 1HB LEU 4 -4.622 1.880 -1.370
43 HG LEU 4 HG LEU 4 -4.445 1.470 -3.631
44 1HD1 LEU 4 1HD1 LEU 4 -5.768 -1.018 -3.002
45 2HD1 LEU 4 2HD1 LEU 4 -4.705 -0.612 -4.348
46 3HD1 LEU 4 3HD1 LEU 4 -6.434 -0.286 -4.461
47 1HD2 LEU 4 1HD2 LEU 4 -7.132 2.185 -2.742
48 2HD2 LEU 4 2HD2 LEU 4 -7.063 1.582 -4.397
49 3HD2 LEU 4 3HD2 LEU 4 -6.077 2.963 -3.922
50 H PHE 5 H PHE 5 -5.037 0.809 0.993
51 HA PHE 5 HA PHE 5 -2.852 2.275 1.775
52 1HB PHE 5 2HB PHE 5 -5.357 1.505 2.670
53 2HB PHE 5 1HB PHE 5 -4.260 0.855 3.898
54 HD1 PHE 5 1HD PHE 5 -3.519 2.212 5.626
55 HD2 PHE 5 2HD PHE 5 -4.990 4.010 2.061
56 HE1 PHE 5 1HE PHE 5 -3.334 4.430 6.674
57 HE2 PHE 5 2HE PHE 5 -4.812 6.231 3.103
58 HZ PHE 5 HZ PHE 5 -3.980 6.444 5.411
59 H LYS 6 H LYS 6 -3.674 -1.023 1.989
60 HA LYS 6 HA LYS 6 -1.479 -1.888 3.537
61 1HB LYS 6 2HB LYS 6 -2.525 -3.923 3.538
62 2HB LYS 6 1HB LYS 6 -3.896 -2.905 3.117
63 1HG LYS 6 2HG LYS 6 -4.207 -4.303 1.418
64 2HG LYS 6 1HG LYS 6 -2.831 -3.505 0.663
65 1HD LYS 6 2HD LYS 6 -1.342 -5.179 1.755
66 2HD LYS 6 1HD LYS 6 -2.785 -6.019 2.326
67 1HE LYS 6 2HE LYS 6 -2.522 -7.188 0.412
68 2HE LYS 6 1HE LYS 6 -3.374 -5.813 -0.289
69 1HZ LYS 6 1HZ LYS 6 -1.171 -4.821 -0.763
70 2HZ LYS 6 2HZ LYS 6 -1.450 -6.266 -1.596
71 3HZ LYS 6 3HZ LYS 6 -0.440 -6.256 -0.239
72 H LYS 7 H LYS 7 -2.229 -1.314 0.186
73 HA LYS 7 HA LYS 7 0.120 -2.780 -0.734
74 1HB LYS 7 2HB LYS 7 -2.027 -2.813 -2.026
75 2HB LYS 7 1HB LYS 7 -1.795 -1.099 -2.339
76 1HG LYS 7 2HG LYS 7 -1.078 -2.366 -4.248
77 2HG LYS 7 1HG LYS 7 0.329 -1.626 -3.479
78 1HD LYS 7 2HD LYS 7 -0.378 -4.336 -2.549
79 2HD LYS 7 1HD LYS 7 0.208 -4.218 -4.209
80 1HE LYS 7 2HE LYS 7 2.274 -3.375 -3.550
81 2HE LYS 7 1HE LYS 7 1.670 -2.864 -1.975
82 1HZ LYS 7 1HZ LYS 7 3.108 -5.058 -2.335
83 2HZ LYS 7 2HZ LYS 7 1.562 -5.717 -2.530
84 3HZ LYS 7 3HZ LYS 7 1.961 -4.906 -1.101
85 H ILE 8 H ILE 8 -0.578 0.222 0.475
86 HA ILE 8 HA ILE 8 1.504 1.473 -1.078
87 HB ILE 8 HB ILE 8 -0.546 2.538 0.828
88 1HG1 ILE 8 2HG1 ILE 8 0.289 3.347 -1.966
89 2HG1 ILE 8 1HG1 ILE 8 -1.087 2.325 -1.565
90 1HG2 ILE 8 1HG2 ILE 8 1.472 3.616 1.579
91 2HG2 ILE 8 2HG2 ILE 8 0.511 4.778 0.662
92 3HG2 ILE 8 3HG2 ILE 8 1.921 4.020 -0.078
93 1HD1 ILE 8 1HD1 ILE 8 -0.717 5.251 -1.070
94 2HD1 ILE 8 2HD1 ILE 8 -1.916 4.309 -0.185
95 3HD1 ILE 8 3HD1 ILE 8 -2.008 4.425 -1.942
96 H GLY 9 H GLY 9 0.911 0.173 2.022
97 1HA GLY 9 2HA GLY 9 3.214 1.292 3.315
98 2HA GLY 9 1HA GLY 9 2.244 -0.056 3.902
99 H ALA 10 H ALA 10 2.518 -1.614 1.463
100 HA ALA 10 HA ALA 10 4.996 -2.839 2.144
101 1HB ALA 10 1HB ALA 10 3.625 -4.516 1.444
102 2HB ALA 10 2HB ALA 10 4.346 -4.136 -0.121
103 3HB ALA 10 3HB ALA 10 2.765 -3.479 0.304
104 H VAL 11 H VAL 11 3.915 -0.625 -0.341
105 HA VAL 11 HA VAL 11 6.080 -0.922 -2.096
106 HB VAL 11 HB VAL 11 4.668 1.654 -1.355
107 1HG1 VAL 11 1HG1 VAL 11 6.985 1.410 -2.756
108 2HG1 VAL 11 2HG1 VAL 11 5.823 2.723 -2.956
109 3HG1 VAL 11 3HG1 VAL 11 5.785 1.336 -4.047
110 1HG2 VAL 11 1HG2 VAL 11 2.973 1.106 -2.725
111 2HG2 VAL 11 2HG2 VAL 11 3.522 -0.547 -2.450
112 3HG2 VAL 11 3HG2 VAL 11 4.037 0.326 -3.895
113 H LEU 12 H LEU 12 5.705 0.539 1.011
114 HA LEU 12 HA LEU 12 8.001 2.081 1.302
115 1HB LEU 12 2HB LEU 12 6.566 0.228 3.217
116 2HB LEU 12 1HB LEU 12 7.841 1.335 3.718
117 HG LEU 12 HG LEU 12 5.156 2.111 2.572
118 1HD1 LEU 12 1HD1 LEU 12 6.335 2.103 5.320
119 2HD1 LEU 12 2HD1 LEU 12 4.754 1.541 4.778
120 3HD1 LEU 12 3HD1 LEU 12 5.087 3.270 4.884
121 1HD2 LEU 12 1HD2 LEU 12 7.664 3.622 2.970
122 2HD2 LEU 12 2HD2 LEU 12 6.175 4.410 3.489
123 3HD2 LEU 12 3HD2 LEU 12 6.354 3.876 1.817
124 H LYS 13 H LYS 13 7.399 -1.332 1.379
125 HA LYS 13 HA LYS 13 10.012 -2.131 2.225
126 1HB LYS 13 2HB LYS 13 7.709 -3.638 0.992
127 2HB LYS 13 1HB LYS 13 9.190 -4.407 1.549
128 1HG LYS 13 2HG LYS 13 7.468 -2.741 3.358
129 2HG LYS 13 1HG LYS 13 7.204 -4.469 3.119
130 1HD LYS 13 2HD LYS 13 8.683 -4.804 4.754
131 2HD LYS 13 1HD LYS 13 9.923 -4.266 3.622
132 1HE LYS 13 2HE LYS 13 10.032 -3.062 5.763
133 2HE LYS 13 1HE LYS 13 9.695 -1.985 4.407
134 1HZ LYS 13 1HZ LYS 13 7.613 -1.556 5.147
135 2HZ LYS 13 2HZ LYS 13 8.317 -1.908 6.644
136 3HZ LYS 13 3HZ LYS 13 7.402 -3.084 5.843
137 H VAL 14 H VAL 14 8.263 -1.849 -0.779
138 HA VAL 14 HA VAL 14 10.294 -2.971 -2.407
139 HB VAL 14 HB VAL 14 7.596 -1.892 -2.737
140 1HG1 VAL 14 1HG1 VAL 14 8.680 -0.317 -4.217
141 2HG1 VAL 14 2HG1 VAL 14 7.816 -1.516 -5.178
142 3HG1 VAL 14 3HG1 VAL 14 9.569 -1.617 -5.009
143 1HG2 VAL 14 1HG2 VAL 14 7.416 -3.752 -4.326
144 2HG2 VAL 14 2HG2 VAL 14 8.079 -4.269 -2.775
145 3HG2 VAL 14 3HG2 VAL 14 9.147 -4.051 -4.162
146 H LEU 15 H LEU 15 9.961 -0.068 -0.863
147 HA LEU 15 HA LEU 15 11.185 1.621 -2.856
148 1HB LEU 15 2HB LEU 15 9.592 1.982 -0.596
149 2HB LEU 15 1HB LEU 15 11.146 2.672 -0.156
150 HG LEU 15 HG LEU 15 10.088 3.467 -2.802
151 1HD1 LEU 15 1HD1 LEU 15 8.100 3.421 -1.233
152 2HD1 LEU 15 2HD1 LEU 15 8.460 4.966 -2.003
153 3HD1 LEU 15 3HD1 LEU 15 8.917 4.691 -0.322
154 1HD2 LEU 15 1HD2 LEU 15 10.946 5.659 -2.035
155 2HD2 LEU 15 2HD2 LEU 15 12.166 4.385 -2.002
156 3HD2 LEU 15 3HD2 LEU 15 11.399 4.910 -0.503
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 -5.881 4.815 3.283
2 2H LYS 1 2HT LYS 1 -7.382 4.031 3.010
3 3H LYS 1 3HT LYS 1 -5.924 3.312 2.464
4 HA LYS 1 HA LYS 1 -5.202 3.213 4.784
5 1HB LYS 1 2HB LYS 1 -7.858 3.241 5.892
6 2HB LYS 1 1HB LYS 1 -6.434 4.127 6.413
7 1HG LYS 1 2HG LYS 1 -6.962 5.800 4.598
8 2HG LYS 1 1HG LYS 1 -8.509 4.971 4.413
9 1HD LYS 1 2HD LYS 1 -8.292 5.372 7.145
10 2HD LYS 1 1HD LYS 1 -7.636 6.854 6.447
11 1HE LYS 1 2HE LYS 1 -9.853 6.461 4.917
12 2HE LYS 1 1HE LYS 1 -10.385 5.831 6.474
13 1HZ LYS 1 1HZ LYS 1 -10.917 8.085 6.525
14 2HZ LYS 1 2HZ LYS 1 -9.455 8.559 5.821
15 3HZ LYS 1 3HZ LYS 1 -9.480 7.995 7.416
16 H TRP 2 H TRP 2 -7.764 2.173 2.813
17 HA TRP 2 HA TRP 2 -8.185 -0.189 4.150
18 1HB TRP 2 2HB TRP 2 -9.455 -0.610 1.793
19 2HB TRP 2 1HB TRP 2 -10.151 0.090 3.245
20 HD1 TRP 2 HD TRP 2 -11.543 1.948 2.251
21 HE1 TRP 2 1HE TRP 2 -11.049 4.021 0.776
22 HE3 TRP 2 3HE TRP 2 -6.839 0.881 1.322
23 HZ2 TRP 2 2HZ TRP 2 -8.746 5.057 -0.626
24 HZ3 TRP 2 3HZ TRP 2 -5.474 2.370 -0.021
25 HH2 TRP 2 HH TRP 2 -6.379 4.442 -0.997
26 H LYS 3 H LYS 3 -8.114 -0.951 0.809
27 HA LYS 3 HA LYS 3 -6.268 -3.064 1.417
28 1HB LYS 3 2HB LYS 3 -8.502 -3.411 0.245
29 2HB LYS 3 1HB LYS 3 -7.726 -2.725 -1.174
30 1HG LYS 3 2HG LYS 3 -5.932 -4.553 -0.764
31 2HG LYS 3 1HG LYS 3 -7.194 -5.319 0.202
32 1HD LYS 3 2HD LYS 3 -7.684 -6.263 -1.809
33 2HD LYS 3 1HD LYS 3 -8.630 -4.783 -1.976
34 1HE LYS 3 2HE LYS 3 -7.327 -5.205 -3.988
35 2HE LYS 3 1HE LYS 3 -6.775 -3.738 -3.183
36 1HZ LYS 3 1HZ LYS 3 -5.429 -6.243 -2.507
37 2HZ LYS 3 2HZ LYS 3 -4.801 -4.677 -2.619
38 3HZ LYS 3 3HZ LYS 3 -5.104 -5.568 -4.025
39 H LEU 4 H LEU 4 -6.130 -0.150 0.107
40 HA LEU 4 HA LEU 4 -3.830 -0.769 -1.565
41 1HB LEU 4 2HB LEU 4 -5.814 1.307 -1.562
42 2HB LEU 4 1HB LEU 4 -4.185 1.950 -1.568
43 HG LEU 4 HG LEU 4 -3.672 0.832 -3.626
44 1HD1 LEU 4 1HD1 LEU 4 -5.899 -0.338 -4.637
45 2HD1 LEU 4 2HD1 LEU 4 -6.042 -0.754 -2.929
46 3HD1 LEU 4 3HD1 LEU 4 -4.595 -1.207 -3.828
47 1HD2 LEU 4 1HD2 LEU 4 -6.289 2.292 -3.584
48 2HD2 LEU 4 2HD2 LEU 4 -5.581 1.717 -5.092
49 3HD2 LEU 4 3HD2 LEU 4 -4.702 2.871 -4.090
50 H PHE 5 H PHE 5 -4.870 0.626 1.444
51 HA PHE 5 HA PHE 5 -2.537 2.096 2.098
52 1HB PHE 5 2HB PHE 5 -4.467 2.387 3.430
53 2HB PHE 5 1HB PHE 5 -4.625 0.662 3.738
54 HD1 PHE 5 1HD PHE 5 -3.215 -0.428 5.387
55 HD2 PHE 5 2HD PHE 5 -2.873 3.738 4.618
56 HE1 PHE 5 1HE PHE 5 -1.878 -0.166 7.437
57 HE2 PHE 5 2HE PHE 5 -1.541 4.015 6.672
58 HZ PHE 5 HZ PHE 5 -1.039 2.059 8.081
59 H LYS 6 H LYS 6 -3.416 -1.137 1.882
60 HA LYS 6 HA LYS 6 -1.189 -2.162 3.334
61 1HB LYS 6 2HB LYS 6 -2.156 -4.292 3.050
62 2HB LYS 6 1HB LYS 6 -3.508 -3.192 3.287
63 1HG LYS 6 2HG LYS 6 -4.366 -3.617 1.291
64 2HG LYS 6 1HG LYS 6 -2.795 -3.548 0.483
65 1HD LYS 6 2HD LYS 6 -2.329 -5.833 1.437
66 2HD LYS 6 1HD LYS 6 -4.015 -5.881 1.955
67 1HE LYS 6 2HE LYS 6 -4.743 -6.345 -0.106
68 2HE LYS 6 1HE LYS 6 -3.712 -5.116 -0.837
69 1HZ LYS 6 1HZ LYS 6 -2.150 -6.617 -1.344
70 2HZ LYS 6 2HZ LYS 6 -3.384 -7.758 -1.153
71 3HZ LYS 6 3HZ LYS 6 -2.309 -7.456 0.116
72 H LYS 7 H LYS 7 -2.149 -1.371 0.075
73 HA LYS 7 HA LYS 7 0.161 -2.766 -0.996
74 1HB LYS 7 2HB LYS 7 -0.743 -2.586 -3.094
75 2HB LYS 7 1HB LYS 7 -2.198 -2.620 -2.109
76 1HG LYS 7 2HG LYS 7 -2.790 -0.774 -3.172
77 2HG LYS 7 1HG LYS 7 -1.567 0.044 -2.202
78 1HD LYS 7 2HD LYS 7 0.083 -0.301 -3.953
79 2HD LYS 7 1HD LYS 7 -1.098 -1.190 -4.914
80 1HE LYS 7 2HE LYS 7 -2.297 0.709 -5.441
81 2HE LYS 7 1HE LYS 7 -1.722 1.590 -4.026
82 1HZ LYS 7 1HZ LYS 7 -0.361 1.123 -6.596
83 2HZ LYS 7 2HZ LYS 7 0.551 1.423 -5.203
84 3HZ LYS 7 3HZ LYS 7 -0.568 2.571 -5.744
85 H ILE 8 H ILE 8 -0.604 0.201 0.296
86 HA ILE 8 HA ILE 8 1.466 1.513 -1.248
87 HB ILE 8 HB ILE 8 -0.545 2.560 0.724
88 1HG1 ILE 8 2HG1 ILE 8 -0.026 3.556 -2.064
89 2HG1 ILE 8 1HG1 ILE 8 -1.013 2.125 -1.786
90 1HG2 ILE 8 1HG2 ILE 8 1.504 3.724 1.232
91 2HG2 ILE 8 2HG2 ILE 8 0.412 4.812 0.374
92 3HG2 ILE 8 3HG2 ILE 8 1.770 4.076 -0.477
93 1HD1 ILE 8 1HD1 ILE 8 -2.767 3.400 -1.373
94 2HD1 ILE 8 2HD1 ILE 8 -1.788 4.829 -1.700
95 3HD1 ILE 8 3HD1 ILE 8 -1.907 4.199 -0.057
96 H GLY 9 H GLY 9 0.821 0.296 1.888
97 1HA GLY 9 2HA GLY 9 3.126 1.433 3.157
98 2HA GLY 9 1HA GLY 9 2.121 0.138 3.797
99 H ALA 10 H ALA 10 2.429 -1.509 1.383
100 HA ALA 10 HA ALA 10 4.850 -2.770 2.199
101 1HB ALA 10 1HB ALA 10 2.679 -3.424 0.289
102 2HB ALA 10 2HB ALA 10 3.447 -4.430 1.518
103 3HB ALA 10 3HB ALA 10 4.259 -4.146 -0.022
104 H VAL 11 H VAL 11 3.877 -0.709 -0.485
105 HA VAL 11 HA VAL 11 6.142 -1.104 -2.086
106 HB VAL 11 HB VAL 11 4.681 1.508 -1.610
107 1HG1 VAL 11 1HG1 VAL 11 5.895 2.460 -3.248
108 2HG1 VAL 11 2HG1 VAL 11 5.952 0.980 -4.205
109 3HG1 VAL 11 3HG1 VAL 11 7.065 1.201 -2.853
110 1HG2 VAL 11 1HG2 VAL 11 3.080 0.877 -3.070
111 2HG2 VAL 11 2HG2 VAL 11 3.558 -0.743 -2.561
112 3HG2 VAL 11 3HG2 VAL 11 4.199 -0.064 -4.057
113 H LEU 12 H LEU 12 5.589 0.564 0.887
114 HA LEU 12 HA LEU 12 7.835 2.159 1.209
115 1HB LEU 12 2HB LEU 12 5.935 1.914 2.814
116 2HB LEU 12 1HB LEU 12 6.535 0.311 3.228
117 HG LEU 12 HG LEU 12 8.680 1.461 3.980
118 1HD1 LEU 12 1HD1 LEU 12 6.934 3.916 3.927
119 2HD1 LEU 12 2HD1 LEU 12 8.232 3.587 2.778
120 3HD1 LEU 12 3HD1 LEU 12 8.601 3.803 4.490
121 1HD2 LEU 12 1HD2 LEU 12 7.891 1.468 6.094
122 2HD2 LEU 12 2HD2 LEU 12 6.450 0.796 5.330
123 3HD2 LEU 12 3HD2 LEU 12 6.531 2.518 5.699
124 H LYS 13 H LYS 13 7.305 -1.259 1.457
125 HA LYS 13 HA LYS 13 9.932 -1.937 2.377
126 1HB LYS 13 2HB LYS 13 7.654 -3.577 1.276
127 2HB LYS 13 1HB LYS 13 9.149 -4.273 1.890
128 1HG LYS 13 2HG LYS 13 7.273 -2.566 3.512
129 2HG LYS 13 1HG LYS 13 7.285 -4.331 3.515
130 1HD LYS 13 2HD LYS 13 9.093 -4.432 4.840
131 2HD LYS 13 1HD LYS 13 9.913 -3.130 3.976
132 1HE LYS 13 2HE LYS 13 9.554 -1.931 5.833
133 2HE LYS 13 1HE LYS 13 7.901 -1.787 5.239
134 1HZ LYS 13 1HZ LYS 13 7.401 -2.651 7.231
135 2HZ LYS 13 2HZ LYS 13 8.938 -3.316 7.467
136 3HZ LYS 13 3HZ LYS 13 7.801 -4.132 6.517
137 H VAL 14 H VAL 14 8.189 -1.837 -0.637
138 HA VAL 14 HA VAL 14 10.215 -3.094 -2.177
139 HB VAL 14 HB VAL 14 7.507 -2.489 -2.492
140 1HG1 VAL 14 1HG1 VAL 14 8.240 -0.317 -3.487
141 2HG1 VAL 14 2HG1 VAL 14 7.294 -1.333 -4.574
142 3HG1 VAL 14 3HG1 VAL 14 9.045 -1.232 -4.762
143 1HG2 VAL 14 1HG2 VAL 14 7.585 -4.192 -3.970
144 2HG2 VAL 14 2HG2 VAL 14 9.223 -4.379 -3.344
145 3HG2 VAL 14 3HG2 VAL 14 8.951 -3.510 -4.854
146 H LEU 15 H LEU 15 10.033 -0.131 -0.793
147 HA LEU 15 HA LEU 15 11.399 1.286 -2.962
148 1HB LEU 15 2HB LEU 15 9.420 2.009 -1.127
149 2HB LEU 15 1HB LEU 15 10.867 2.839 -0.580
150 HG LEU 15 HG LEU 15 9.516 4.240 -2.077
151 1HD1 LEU 15 1HD1 LEU 15 11.909 4.609 -1.993
152 2HD1 LEU 15 2HD1 LEU 15 11.310 4.876 -3.629
153 3HD1 LEU 15 3HD1 LEU 15 12.164 3.385 -3.237
154 1HD2 LEU 15 1HD2 LEU 15 8.421 3.082 -3.667
155 2HD2 LEU 15 2HD2 LEU 15 9.660 1.830 -3.758
156 3HD2 LEU 15 3HD2 LEU 15 9.888 3.359 -4.607
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 -7.330 3.638 3.055
2 2H LYS 1 2HT LYS 1 -5.697 3.284 2.684
3 3H LYS 1 3HT LYS 1 -6.097 4.731 3.514
4 HA LYS 1 HA LYS 1 -5.180 3.111 4.977
5 1HB LYS 1 2HB LYS 1 -7.311 2.957 6.488
6 2HB LYS 1 1HB LYS 1 -6.554 4.508 6.172
7 1HG LYS 1 2HG LYS 1 -8.527 3.944 4.159
8 2HG LYS 1 1HG LYS 1 -9.224 3.774 5.767
9 1HD LYS 1 2HD LYS 1 -9.173 5.976 6.137
10 2HD LYS 1 1HD LYS 1 -7.524 6.123 5.528
11 1HE LYS 1 2HE LYS 1 -8.380 6.121 3.232
12 2HE LYS 1 1HE LYS 1 -10.025 5.976 3.848
13 1HZ LYS 1 1HZ LYS 1 -9.953 8.206 3.647
14 2HZ LYS 1 2HZ LYS 1 -8.269 8.294 3.777
15 3HZ LYS 1 3HZ LYS 1 -9.216 8.125 5.169
16 H TRP 2 H TRP 2 -7.802 1.946 3.123
17 HA TRP 2 HA TRP 2 -7.981 -0.454 4.434
18 1HB TRP 2 2HB TRP 2 -9.366 -0.942 2.160
19 2HB TRP 2 1HB TRP 2 -10.012 -0.277 3.652
20 HD1 TRP 2 HD TRP 2 -11.570 1.482 2.726
21 HE1 TRP 2 1HE TRP 2 -11.279 3.582 1.235
22 HE3 TRP 2 3HE TRP 2 -6.865 0.708 1.553
23 HZ2 TRP 2 2HZ TRP 2 -9.123 4.759 -0.281
24 HZ3 TRP 2 3HZ TRP 2 -5.669 2.281 0.149
25 HH2 TRP 2 HH TRP 2 -6.746 4.289 -0.773
26 H LYS 3 H LYS 3 -8.062 -1.151 1.073
27 HA LYS 3 HA LYS 3 -6.107 -3.199 1.531
28 1HB LYS 3 2HB LYS 3 -8.403 -3.542 0.430
29 2HB LYS 3 1HB LYS 3 -7.647 -2.864 -1.006
30 1HG LYS 3 2HG LYS 3 -5.840 -4.767 -0.288
31 2HG LYS 3 1HG LYS 3 -7.363 -5.511 0.202
32 1HD LYS 3 2HD LYS 3 -7.246 -6.209 -1.978
33 2HD LYS 3 1HD LYS 3 -8.146 -4.704 -2.176
34 1HE LYS 3 2HE LYS 3 -5.982 -3.555 -2.641
35 2HE LYS 3 1HE LYS 3 -5.193 -5.132 -2.610
36 1HZ LYS 3 1HZ LYS 3 -6.158 -4.004 -4.819
37 2HZ LYS 3 2HZ LYS 3 -7.502 -4.921 -4.352
38 3HZ LYS 3 3HZ LYS 3 -6.013 -5.678 -4.614
39 H LEU 4 H LEU 4 -6.125 -0.242 0.304
40 HA LEU 4 HA LEU 4 -3.885 -0.743 -1.487
41 1HB LEU 4 2HB LEU 4 -5.960 1.203 -1.417
42 2HB LEU 4 1HB LEU 4 -4.390 1.981 -1.341
43 HG LEU 4 HG LEU 4 -3.720 0.852 -3.414
44 1HD1 LEU 4 1HD1 LEU 4 -4.803 -1.131 -3.645
45 2HD1 LEU 4 2HD1 LEU 4 -5.849 -0.138 -4.659
46 3HD1 LEU 4 3HD1 LEU 4 -6.321 -0.508 -3.001
47 1HD2 LEU 4 1HD2 LEU 4 -4.477 2.824 -4.164
48 2HD2 LEU 4 2HD2 LEU 4 -5.957 2.732 -3.209
49 3HD2 LEU 4 3HD2 LEU 4 -5.852 1.894 -4.757
50 H PHE 5 H PHE 5 -4.822 0.541 1.600
51 HA PHE 5 HA PHE 5 -2.514 2.076 2.192
52 1HB PHE 5 2HB PHE 5 -4.404 2.243 3.611
53 2HB PHE 5 1HB PHE 5 -4.460 0.505 3.884
54 HD1 PHE 5 1HD PHE 5 -2.885 3.655 4.777
55 HD2 PHE 5 2HD PHE 5 -2.859 -0.547 5.397
56 HE1 PHE 5 1HE PHE 5 -1.470 3.967 6.770
57 HE2 PHE 5 2HE PHE 5 -1.445 -0.253 7.392
58 HZ PHE 5 HZ PHE 5 -0.747 2.008 8.080
59 H LYS 6 H LYS 6 -3.302 -1.179 1.925
60 HA LYS 6 HA LYS 6 -0.969 -2.170 3.229
61 1HB LYS 6 2HB LYS 6 -1.885 -4.320 2.947
62 2HB LYS 6 1HB LYS 6 -3.255 -3.269 3.283
63 1HG LYS 6 2HG LYS 6 -4.205 -3.664 1.321
64 2HG LYS 6 1HG LYS 6 -2.679 -3.560 0.435
65 1HD LYS 6 2HD LYS 6 -3.660 -5.932 2.027
66 2HD LYS 6 1HD LYS 6 -3.638 -5.801 0.268
67 1HE LYS 6 2HE LYS 6 -1.587 -6.654 0.285
68 2HE LYS 6 1HE LYS 6 -1.034 -5.200 1.116
69 1HZ LYS 6 1HZ LYS 6 -2.291 -7.148 2.836
70 2HZ LYS 6 2HZ LYS 6 -0.850 -6.285 3.047
71 3HZ LYS 6 3HZ LYS 6 -0.862 -7.692 2.109
72 H LYS 7 H LYS 7 -2.132 -1.307 0.070
73 HA LYS 7 HA LYS 7 0.100 -2.624 -1.238
74 1HB LYS 7 2HB LYS 7 -2.109 -2.564 -2.357
75 2HB LYS 7 1HB LYS 7 -2.012 -0.809 -2.392
76 1HG LYS 7 2HG LYS 7 0.350 -1.661 -3.584
77 2HG LYS 7 1HG LYS 7 -0.887 -2.758 -4.199
78 1HD LYS 7 2HD LYS 7 -0.957 -1.012 -5.724
79 2HD LYS 7 1HD LYS 7 -2.254 -0.593 -4.603
80 1HE LYS 7 2HE LYS 7 -1.173 1.419 -4.751
81 2HE LYS 7 1HE LYS 7 -0.332 0.710 -3.374
82 1HZ LYS 7 1HZ LYS 7 1.314 -0.134 -5.109
83 2HZ LYS 7 2HZ LYS 7 1.355 1.515 -4.734
84 3HZ LYS 7 3HZ LYS 7 0.611 0.990 -6.159
85 H ILE 8 H ILE 8 -0.604 0.272 0.280
86 HA ILE 8 HA ILE 8 1.476 1.646 -1.194
87 HB ILE 8 HB ILE 8 -0.538 2.601 0.823
88 1HG1 ILE 8 2HG1 ILE 8 0.021 3.598 -1.969
89 2HG1 ILE 8 1HG1 ILE 8 -1.121 2.301 -1.624
90 1HG2 ILE 8 1HG2 ILE 8 1.537 3.721 1.371
91 2HG2 ILE 8 2HG2 ILE 8 0.426 4.857 0.604
92 3HG2 ILE 8 3HG2 ILE 8 1.768 4.178 -0.317
93 1HD1 ILE 8 1HD1 ILE 8 -1.465 4.800 -0.096
94 2HD1 ILE 8 2HD1 ILE 8 -2.667 3.706 -0.780
95 3HD1 ILE 8 3HD1 ILE 8 -1.832 4.861 -1.820
96 H GLY 9 H GLY 9 0.821 0.241 1.855
97 1HA GLY 9 2HA GLY 9 3.128 1.317 3.190
98 2HA GLY 9 1HA GLY 9 2.095 0.021 3.780
99 H ALA 10 H ALA 10 2.435 -1.519 1.257
100 HA ALA 10 HA ALA 10 4.831 -2.822 2.104
101 1HB ALA 10 1HB ALA 10 4.270 -4.228 -0.073
102 2HB ALA 10 2HB ALA 10 2.695 -3.458 0.136
103 3HB ALA 10 3HB ALA 10 3.371 -4.451 1.429
104 H VAL 11 H VAL 11 3.872 -0.832 -0.666
105 HA VAL 11 HA VAL 11 6.214 -1.232 -2.156
106 HB VAL 11 HB VAL 11 4.635 1.340 -1.868
107 1HG1 VAL 11 1HG1 VAL 11 7.114 0.984 -3.038
108 2HG1 VAL 11 2HG1 VAL 11 5.996 2.315 -3.341
109 3HG1 VAL 11 3HG1 VAL 11 5.990 0.902 -4.397
110 1HG2 VAL 11 1HG2 VAL 11 4.417 -0.460 -4.226
111 2HG2 VAL 11 2HG2 VAL 11 3.224 0.635 -3.527
112 3HG2 VAL 11 3HG2 VAL 11 3.574 -0.906 -2.742
113 H LEU 12 H LEU 12 5.472 0.540 0.699
114 HA LEU 12 HA LEU 12 7.647 2.220 1.070
115 1HB LEU 12 2HB LEU 12 5.653 2.008 2.547
116 2HB LEU 12 1HB LEU 12 6.246 0.438 3.076
117 HG LEU 12 HG LEU 12 6.612 2.547 4.573
118 1HD1 LEU 12 1HD1 LEU 12 7.678 0.112 4.563
119 2HD1 LEU 12 2HD1 LEU 12 8.190 1.368 5.689
120 3HD1 LEU 12 3HD1 LEU 12 9.139 1.045 4.239
121 1HD2 LEU 12 1HD2 LEU 12 9.161 2.806 3.045
122 2HD2 LEU 12 2HD2 LEU 12 8.371 3.955 4.124
123 3HD2 LEU 12 3HD2 LEU 12 7.735 3.689 2.501
124 H LYS 13 H LYS 13 7.236 -1.200 1.364
125 HA LYS 13 HA LYS 13 9.816 -1.729 2.524
126 1HB LYS 13 2HB LYS 13 7.620 -3.489 1.444
127 2HB LYS 13 1HB LYS 13 9.109 -4.121 2.140
128 1HG LYS 13 2HG LYS 13 8.135 -2.335 4.043
129 2HG LYS 13 1HG LYS 13 6.713 -3.195 3.449
130 1HD LYS 13 2HD LYS 13 8.627 -5.181 3.762
131 2HD LYS 13 1HD LYS 13 8.871 -4.125 5.155
132 1HE LYS 13 2HE LYS 13 6.068 -4.518 4.757
133 2HE LYS 13 1HE LYS 13 6.872 -6.086 4.769
134 1HZ LYS 13 1HZ LYS 13 6.663 -5.859 6.978
135 2HZ LYS 13 2HZ LYS 13 6.507 -4.176 6.916
136 3HZ LYS 13 3HZ LYS 13 8.041 -4.886 6.847
137 H VAL 14 H VAL 14 8.219 -1.887 -0.551
138 HA VAL 14 HA VAL 14 10.346 -3.195 -1.915
139 HB VAL 14 HB VAL 14 7.742 -1.965 -2.736
140 1HG1 VAL 14 1HG1 VAL 14 8.314 -3.264 -4.961
141 2HG1 VAL 14 2HG1 VAL 14 9.974 -2.930 -4.467
142 3HG1 VAL 14 3HG1 VAL 14 8.845 -1.599 -4.725
143 1HG2 VAL 14 1HG2 VAL 14 7.190 -3.972 -1.839
144 2HG2 VAL 14 2HG2 VAL 14 8.754 -4.696 -2.207
145 3HG2 VAL 14 3HG2 VAL 14 7.548 -4.505 -3.480
146 H LEU 15 H LEU 15 10.167 -0.195 -0.711
147 HA LEU 15 HA LEU 15 11.489 1.088 -3.003
148 1HB LEU 15 2HB LEU 15 9.333 1.928 -1.559
149 2HB LEU 15 1HB LEU 15 10.643 2.759 -0.739
150 HG LEU 15 HG LEU 15 11.361 3.618 -3.025
151 1HD1 LEU 15 1HD1 LEU 15 10.287 2.252 -4.567
152 2HD1 LEU 15 2HD1 LEU 15 9.335 3.736 -4.610
153 3HD1 LEU 15 3HD1 LEU 15 8.744 2.336 -3.715
154 1HD2 LEU 15 1HD2 LEU 15 10.246 5.031 -1.389
155 2HD2 LEU 15 2HD2 LEU 15 8.673 4.449 -1.938
156 3HD2 LEU 15 3HD2 LEU 15 9.687 5.405 -3.019
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -5.064 3.115 5.507
2 2H LYS 1 2HT LYS 1 -5.613 4.738 5.521
3 3H LYS 1 3HT LYS 1 -4.506 4.218 4.321
4 HA LYS 1 HA LYS 1 -7.323 4.100 4.391
5 1HB LYS 1 2HB LYS 1 -5.268 4.634 2.611
6 2HB LYS 1 1HB LYS 1 -5.935 3.120 2.015
7 1HG LYS 1 2HG LYS 1 -6.975 5.048 0.950
8 2HG LYS 1 1HG LYS 1 -8.144 4.119 1.889
9 1HD LYS 1 2HD LYS 1 -6.920 6.156 3.521
10 2HD LYS 1 1HD LYS 1 -7.613 6.865 2.061
11 1HE LYS 1 2HE LYS 1 -9.154 4.922 3.749
12 2HE LYS 1 1HE LYS 1 -9.114 6.642 4.130
13 1HZ LYS 1 1HZ LYS 1 -10.987 6.410 2.810
14 2HZ LYS 1 2HZ LYS 1 -10.254 5.305 1.759
15 3HZ LYS 1 3HZ LYS 1 -9.822 6.940 1.702
16 H TRP 2 H TRP 2 -8.052 2.242 2.619
17 HA TRP 2 HA TRP 2 -8.190 0.002 4.200
18 1HB TRP 2 2HB TRP 2 -9.485 -0.811 1.990
19 2HB TRP 2 1HB TRP 2 -10.190 0.052 3.346
20 HD1 TRP 2 HD TRP 2 -11.762 1.574 2.096
21 HE1 TRP 2 1HE TRP 2 -11.470 3.441 0.325
22 HE3 TRP 2 3HE TRP 2 -6.978 0.828 1.253
23 HZ2 TRP 2 2HZ TRP 2 -9.286 4.474 -1.251
24 HZ3 TRP 2 3HZ TRP 2 -5.773 2.235 -0.310
25 HH2 TRP 2 HH TRP 2 -6.873 4.040 -1.567
26 H LYS 3 H LYS 3 -8.154 -1.089 0.950
27 HA LYS 3 HA LYS 3 -6.202 -3.046 1.713
28 1HB LYS 3 2HB LYS 3 -8.376 -2.915 -0.244
29 2HB LYS 3 1HB LYS 3 -6.964 -3.818 -0.772
30 1HG LYS 3 2HG LYS 3 -7.269 -5.470 0.764
31 2HG LYS 3 1HG LYS 3 -8.048 -4.397 1.929
32 1HD LYS 3 2HD LYS 3 -9.899 -4.302 0.028
33 2HD LYS 3 1HD LYS 3 -9.207 -5.875 -0.374
34 1HE LYS 3 2HE LYS 3 -9.446 -6.136 2.294
35 2HE LYS 3 1HE LYS 3 -10.786 -5.036 1.974
36 1HZ LYS 3 1HZ LYS 3 -11.829 -6.580 0.613
37 2HZ LYS 3 2HZ LYS 3 -11.224 -7.537 1.869
38 3HZ LYS 3 3HZ LYS 3 -10.425 -7.495 0.379
39 H LEU 4 H LEU 4 -6.161 -0.253 0.178
40 HA LEU 4 HA LEU 4 -3.884 -0.960 -1.490
41 1HB LEU 4 2HB LEU 4 -5.948 0.969 -1.708
42 2HB LEU 4 1HB LEU 4 -4.390 1.770 -1.635
43 HG LEU 4 HG LEU 4 -4.167 -0.390 -3.465
44 1HD1 LEU 4 1HD1 LEU 4 -5.823 0.452 -5.167
45 2HD1 LEU 4 2HD1 LEU 4 -6.614 1.313 -3.848
46 3HD1 LEU 4 3HD1 LEU 4 -6.505 -0.447 -3.811
47 1HD2 LEU 4 1HD2 LEU 4 -2.801 1.581 -3.571
48 2HD2 LEU 4 2HD2 LEU 4 -4.216 2.603 -3.817
49 3HD2 LEU 4 3HD2 LEU 4 -3.728 1.459 -5.066
50 H PHE 5 H PHE 5 -4.898 0.632 1.425
51 HA PHE 5 HA PHE 5 -2.596 2.206 1.926
52 1HB PHE 5 2HB PHE 5 -4.430 2.570 3.348
53 2HB PHE 5 1HB PHE 5 -4.659 0.854 3.656
54 HD1 PHE 5 1HD PHE 5 -2.596 3.806 4.429
55 HD2 PHE 5 2HD PHE 5 -3.461 -0.246 5.396
56 HE1 PHE 5 1HE PHE 5 -1.246 4.011 6.477
57 HE2 PHE 5 2HE PHE 5 -2.114 -0.048 7.447
58 HZ PHE 5 HZ PHE 5 -1.003 2.082 7.988
59 H LYS 6 H LYS 6 -3.415 -1.053 1.977
60 HA LYS 6 HA LYS 6 -1.118 -1.931 3.411
61 1HB LYS 6 2HB LYS 6 -2.046 -4.097 3.298
62 2HB LYS 6 1HB LYS 6 -3.410 -3.007 3.514
63 1HG LYS 6 2HG LYS 6 -4.329 -3.571 1.581
64 2HG LYS 6 1HG LYS 6 -2.788 -3.539 0.716
65 1HD LYS 6 2HD LYS 6 -3.383 -5.777 0.593
66 2HD LYS 6 1HD LYS 6 -2.316 -5.749 1.999
67 1HE LYS 6 2HE LYS 6 -5.153 -5.251 2.579
68 2HE LYS 6 1HE LYS 6 -4.792 -6.862 1.960
69 1HZ LYS 6 1HZ LYS 6 -4.647 -6.277 4.515
70 2HZ LYS 6 2HZ LYS 6 -3.077 -5.825 4.083
71 3HZ LYS 6 3HZ LYS 6 -3.609 -7.405 3.798
72 H LYS 7 H LYS 7 -2.195 -1.374 0.149
73 HA LYS 7 HA LYS 7 0.057 -2.821 -0.959
74 1HB LYS 7 2HB LYS 7 -1.067 -2.835 -2.910
75 2HB LYS 7 1HB LYS 7 -2.438 -2.309 -1.949
76 1HG LYS 7 2HG LYS 7 -2.329 -0.158 -2.722
77 2HG LYS 7 1HG LYS 7 -0.600 -0.245 -3.055
78 1HD LYS 7 2HD LYS 7 -1.382 -2.045 -4.819
79 2HD LYS 7 1HD LYS 7 -2.899 -1.151 -4.709
80 1HE LYS 7 2HE LYS 7 -1.846 0.876 -5.378
81 2HE LYS 7 1HE LYS 7 -0.242 0.166 -5.217
82 1HZ LYS 7 1HZ LYS 7 -0.766 -1.325 -7.054
83 2HZ LYS 7 2HZ LYS 7 -0.905 0.293 -7.528
84 3HZ LYS 7 3HZ LYS 7 -2.295 -0.619 -7.215
85 H ILE 8 H ILE 8 -0.659 0.230 0.230
86 HA ILE 8 HA ILE 8 1.484 1.422 -1.301
87 HB ILE 8 HB ILE 8 -0.587 2.560 0.542
88 1HG1 ILE 8 2HG1 ILE 8 0.152 3.746 -2.086
89 2HG1 ILE 8 1HG1 ILE 8 -0.653 2.180 -2.100
90 1HG2 ILE 8 1HG2 ILE 8 1.432 3.650 1.263
91 2HG2 ILE 8 2HG2 ILE 8 0.488 4.784 0.296
92 3HG2 ILE 8 3HG2 ILE 8 1.897 3.986 -0.405
93 1HD1 ILE 8 1HD1 ILE 8 -1.870 4.257 -0.399
94 2HD1 ILE 8 2HD1 ILE 8 -2.624 3.040 -1.429
95 3HD1 ILE 8 3HD1 ILE 8 -1.956 4.509 -2.142
96 H GLY 9 H GLY 9 0.800 0.222 1.820
97 1HA GLY 9 2HA GLY 9 3.069 1.362 3.143
98 2HA GLY 9 1HA GLY 9 2.078 0.032 3.738
99 H ALA 10 H ALA 10 2.418 -1.595 1.355
100 HA ALA 10 HA ALA 10 4.870 -2.811 2.132
101 1HB ALA 10 1HB ALA 10 4.311 -4.154 -0.117
102 2HB ALA 10 2HB ALA 10 2.717 -3.466 0.198
103 3HB ALA 10 3HB ALA 10 3.494 -4.483 1.412
104 H VAL 11 H VAL 11 3.874 -0.634 -0.420
105 HA VAL 11 HA VAL 11 6.090 -0.938 -2.105
106 HB VAL 11 HB VAL 11 4.669 1.644 -1.412
107 1HG1 VAL 11 1HG1 VAL 11 5.869 2.700 -2.989
108 2HG1 VAL 11 2HG1 VAL 11 5.852 1.309 -4.074
109 3HG1 VAL 11 3HG1 VAL 11 7.020 1.384 -2.753
110 1HG2 VAL 11 1HG2 VAL 11 4.097 0.302 -3.960
111 2HG2 VAL 11 2HG2 VAL 11 3.007 1.105 -2.829
112 3HG2 VAL 11 3HG2 VAL 11 3.533 -0.551 -2.524
113 H LEU 12 H LEU 12 5.623 0.550 0.978
114 HA LEU 12 HA LEU 12 7.912 2.087 1.334
115 1HB LEU 12 2HB LEU 12 6.014 1.836 2.942
116 2HB LEU 12 1HB LEU 12 6.576 0.205 3.297
117 HG LEU 12 HG LEU 12 8.749 1.263 4.083
118 1HD1 LEU 12 1HD1 LEU 12 8.302 3.694 4.878
119 2HD1 LEU 12 2HD1 LEU 12 7.116 3.712 3.573
120 3HD1 LEU 12 3HD1 LEU 12 8.816 3.401 3.216
121 1HD2 LEU 12 1HD2 LEU 12 6.561 0.600 5.438
122 2HD2 LEU 12 2HD2 LEU 12 6.574 2.328 5.792
123 3HD2 LEU 12 3HD2 LEU 12 7.965 1.330 6.214
124 H LYS 13 H LYS 13 7.295 -1.316 1.409
125 HA LYS 13 HA LYS 13 9.862 -2.137 2.356
126 1HB LYS 13 2HB LYS 13 7.671 -3.415 2.562
127 2HB LYS 13 1HB LYS 13 7.846 -3.799 0.853
128 1HG LYS 13 2HG LYS 13 8.657 -5.656 2.082
129 2HG LYS 13 1HG LYS 13 10.061 -4.830 1.405
130 1HD LYS 13 2HD LYS 13 10.906 -4.830 3.470
131 2HD LYS 13 1HD LYS 13 9.695 -3.609 3.864
132 1HE LYS 13 2HE LYS 13 9.344 -5.209 5.499
133 2HE LYS 13 1HE LYS 13 8.141 -5.636 4.283
134 1HZ LYS 13 1HZ LYS 13 9.063 -7.663 4.651
135 2HZ LYS 13 2HZ LYS 13 10.585 -7.044 5.053
136 3HZ LYS 13 3HZ LYS 13 10.111 -7.132 3.432
137 H VAL 14 H VAL 14 8.236 -1.861 -0.719
138 HA VAL 14 HA VAL 14 10.333 -2.974 -2.264
139 HB VAL 14 HB VAL 14 7.650 -1.905 -2.696
140 1HG1 VAL 14 1HG1 VAL 14 8.778 -0.293 -4.102
141 2HG1 VAL 14 2HG1 VAL 14 7.962 -1.482 -5.118
142 3HG1 VAL 14 3HG1 VAL 14 9.708 -1.573 -4.883
143 1HG2 VAL 14 1HG2 VAL 14 7.425 -3.777 -4.135
144 2HG2 VAL 14 2HG2 VAL 14 8.382 -4.307 -2.752
145 3HG2 VAL 14 3HG2 VAL 14 9.173 -3.957 -4.289
146 H LEU 15 H LEU 15 9.921 -0.070 -0.737
147 HA LEU 15 HA LEU 15 11.215 1.637 -2.661
148 1HB LEU 15 2HB LEU 15 9.556 1.971 -0.453
149 2HB LEU 15 1HB LEU 15 11.099 2.634 0.062
150 HG LEU 15 HG LEU 15 11.111 4.181 -1.810
151 1HD1 LEU 15 1HD1 LEU 15 8.905 4.311 -3.143
152 2HD1 LEU 15 2HD1 LEU 15 8.686 2.635 -2.638
153 3HD1 LEU 15 3HD1 LEU 15 10.098 3.091 -3.589
154 1HD2 LEU 15 1HD2 LEU 15 9.589 4.407 0.389
155 2HD2 LEU 15 2HD2 LEU 15 8.343 4.548 -0.851
156 3HD2 LEU 15 3HD2 LEU 15 9.709 5.665 -0.842
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 -8.707 2.593 0.028
2 2H LYS 1 2HT LYS 1 -6.993 2.588 -0.016
3 3H LYS 1 3HT LYS 1 -7.854 4.059 -0.207
4 HA LYS 1 HA LYS 1 -6.948 3.937 1.946
5 1HB LYS 1 2HB LYS 1 -9.148 4.017 3.235
6 2HB LYS 1 1HB LYS 1 -8.975 5.119 1.879
7 1HG LYS 1 2HG LYS 1 -10.194 2.506 1.268
8 2HG LYS 1 1HG LYS 1 -11.135 3.585 2.297
9 1HD LYS 1 2HD LYS 1 -10.819 5.377 0.594
10 2HD LYS 1 1HD LYS 1 -10.045 4.185 -0.452
11 1HE LYS 1 2HE LYS 1 -12.471 3.040 0.398
12 2HE LYS 1 1HE LYS 1 -12.838 4.707 -0.042
13 1HZ LYS 1 1HZ LYS 1 -12.530 4.274 -2.195
14 2HZ LYS 1 2HZ LYS 1 -12.644 2.641 -1.772
15 3HZ LYS 1 3HZ LYS 1 -11.126 3.369 -1.929
16 H TRP 2 H TRP 2 -8.759 1.156 1.110
17 HA TRP 2 HA TRP 2 -8.206 -0.141 3.554
18 1HB TRP 2 2HB TRP 2 -9.407 -2.058 2.110
19 2HB TRP 2 1HB TRP 2 -10.222 -0.898 3.165
20 HD1 TRP 2 HD TRP 2 -12.240 -0.163 1.823
21 HE1 TRP 2 1HE TRP 2 -12.624 0.646 -0.607
22 HE3 TRP 2 3HE TRP 2 -7.605 -0.580 0.287
23 HZ2 TRP 2 2HZ TRP 2 -11.026 0.992 -2.968
24 HZ3 TRP 2 3HZ TRP 2 -7.022 -0.115 -1.990
25 HH2 TRP 2 HH TRP 2 -8.657 0.725 -3.632
26 H LYS 3 H LYS 3 -8.116 -2.127 0.678
27 HA LYS 3 HA LYS 3 -5.709 -3.378 1.543
28 1HB LYS 3 2HB LYS 3 -7.830 -3.910 -0.403
29 2HB LYS 3 1HB LYS 3 -6.239 -4.458 -0.905
30 1HG LYS 3 2HG LYS 3 -6.607 -6.298 0.275
31 2HG LYS 3 1HG LYS 3 -6.456 -5.308 1.728
32 1HD LYS 3 2HD LYS 3 -9.083 -4.970 0.680
33 2HD LYS 3 1HD LYS 3 -8.736 -6.697 0.758
34 1HE LYS 3 2HE LYS 3 -8.247 -6.574 3.085
35 2HE LYS 3 1HE LYS 3 -8.268 -4.810 3.057
36 1HZ LYS 3 1HZ LYS 3 -10.305 -5.869 3.986
37 2HZ LYS 3 2HZ LYS 3 -10.642 -6.480 2.447
38 3HZ LYS 3 3HZ LYS 3 -10.599 -4.810 2.700
39 H LEU 4 H LEU 4 -6.115 -0.648 0.131
40 HA LEU 4 HA LEU 4 -4.026 -0.810 -1.889
41 1HB LEU 4 2HB LEU 4 -6.172 1.054 -1.198
42 2HB LEU 4 1HB LEU 4 -4.628 1.824 -1.496
43 HG LEU 4 HG LEU 4 -6.007 0.007 -3.476
44 1HD1 LEU 4 1HD1 LEU 4 -6.737 1.874 -4.638
45 2HD1 LEU 4 2HD1 LEU 4 -5.618 2.954 -3.808
46 3HD1 LEU 4 3HD1 LEU 4 -7.028 2.322 -2.958
47 1HD2 LEU 4 1HD2 LEU 4 -3.603 -0.063 -3.705
48 2HD2 LEU 4 2HD2 LEU 4 -3.522 1.698 -3.689
49 3HD2 LEU 4 3HD2 LEU 4 -4.300 0.864 -5.034
50 H PHE 5 H PHE 5 -5.048 0.772 0.970
51 HA PHE 5 HA PHE 5 -2.873 2.296 1.700
52 1HB PHE 5 2HB PHE 5 -5.378 1.563 2.616
53 2HB PHE 5 1HB PHE 5 -4.286 0.958 3.871
54 HD1 PHE 5 1HD PHE 5 -5.088 4.028 1.939
55 HD2 PHE 5 2HD PHE 5 -3.452 2.390 5.508
56 HE1 PHE 5 1HE PHE 5 -4.886 6.292 2.880
57 HE2 PHE 5 2HE PHE 5 -3.247 4.652 6.457
58 HZ PHE 5 HZ PHE 5 -3.962 6.606 5.140
59 H LYS 6 H LYS 6 -3.662 -1.005 1.999
60 HA LYS 6 HA LYS 6 -1.437 -1.764 3.572
61 1HB LYS 6 2HB LYS 6 -2.467 -3.790 3.740
62 2HB LYS 6 1HB LYS 6 -3.856 -2.850 3.215
63 1HG LYS 6 2HG LYS 6 -3.871 -3.776 1.126
64 2HG LYS 6 1HG LYS 6 -2.153 -4.172 1.154
65 1HD LYS 6 2HD LYS 6 -3.745 -5.534 3.203
66 2HD LYS 6 1HD LYS 6 -4.182 -5.953 1.546
67 1HE LYS 6 2HE LYS 6 -1.515 -6.098 1.344
68 2HE LYS 6 1HE LYS 6 -1.693 -6.489 3.055
69 1HZ LYS 6 1HZ LYS 6 -3.349 -8.201 2.348
70 2HZ LYS 6 2HZ LYS 6 -1.760 -8.512 1.859
71 3HZ LYS 6 3HZ LYS 6 -2.886 -7.916 0.746
72 H LYS 7 H LYS 7 -2.238 -1.298 0.225
73 HA LYS 7 HA LYS 7 0.115 -2.758 -0.698
74 1HB LYS 7 2HB LYS 7 -2.028 -2.823 -1.989
75 2HB LYS 7 1HB LYS 7 -1.830 -1.104 -2.301
76 1HG LYS 7 2HG LYS 7 -1.108 -2.433 -4.202
77 2HG LYS 7 1HG LYS 7 0.247 -1.549 -3.497
78 1HD LYS 7 2HD LYS 7 -0.147 -4.221 -2.367
79 2HD LYS 7 1HD LYS 7 0.237 -4.221 -4.090
80 1HE LYS 7 2HE LYS 7 2.215 -2.859 -3.655
81 2HE LYS 7 1HE LYS 7 1.825 -2.826 -1.937
82 1HZ LYS 7 1HZ LYS 7 3.137 -4.860 -3.463
83 2HZ LYS 7 2HZ LYS 7 1.854 -5.478 -2.550
84 3HZ LYS 7 3HZ LYS 7 3.099 -4.623 -1.789
85 H ILE 8 H ILE 8 -0.552 0.212 0.557
86 HA ILE 8 HA ILE 8 1.481 1.512 -1.027
87 HB ILE 8 HB ILE 8 -0.560 2.505 0.914
88 1HG1 ILE 8 2HG1 ILE 8 -1.027 2.441 -1.510
89 2HG1 ILE 8 1HG1 ILE 8 -1.046 4.084 -0.878
90 1HG2 ILE 8 1HG2 ILE 8 1.333 3.579 1.831
91 2HG2 ILE 8 2HG2 ILE 8 0.565 4.773 0.784
92 3HG2 ILE 8 3HG2 ILE 8 2.008 3.919 0.238
93 1HD1 ILE 8 1HD1 ILE 8 0.428 3.069 -3.042
94 2HD1 ILE 8 2HD1 ILE 8 1.587 3.466 -1.773
95 3HD1 ILE 8 3HD1 ILE 8 0.468 4.695 -2.364
96 H GLY 9 H GLY 9 0.935 0.166 2.066
97 1HA GLY 9 2HA GLY 9 3.277 1.222 3.335
98 2HA GLY 9 1HA GLY 9 2.293 -0.119 3.915
99 H ALA 10 H ALA 10 2.521 -1.624 1.413
100 HA ALA 10 HA ALA 10 4.979 -2.906 2.063
101 1HB ALA 10 1HB ALA 10 4.372 -4.227 -0.133
102 2HB ALA 10 2HB ALA 10 2.805 -3.444 0.084
103 3HB ALA 10 3HB ALA 10 3.455 -4.486 1.351
104 H VAL 11 H VAL 11 3.907 -0.671 -0.427
105 HA VAL 11 HA VAL 11 6.105 -0.946 -2.141
106 HB VAL 11 HB VAL 11 4.631 1.606 -1.434
107 1HG1 VAL 11 1HG1 VAL 11 5.800 1.358 -4.101
108 2HG1 VAL 11 2HG1 VAL 11 6.991 1.388 -2.800
109 3HG1 VAL 11 3HG1 VAL 11 5.834 2.709 -2.966
110 1HG2 VAL 11 1HG2 VAL 11 2.974 1.009 -2.823
111 2HG2 VAL 11 2HG2 VAL 11 3.586 -0.631 -2.600
112 3HG2 VAL 11 3HG2 VAL 11 4.085 0.314 -4.003
113 H LEU 12 H LEU 12 5.660 0.492 0.959
114 HA LEU 12 HA LEU 12 7.923 2.077 1.298
115 1HB LEU 12 2HB LEU 12 6.107 1.874 2.943
116 2HB LEU 12 1HB LEU 12 6.539 0.187 3.214
117 HG LEU 12 HG LEU 12 8.823 1.895 3.692
118 1HD1 LEU 12 1HD1 LEU 12 6.508 3.234 4.307
119 2HD1 LEU 12 2HD1 LEU 12 8.088 3.516 5.037
120 3HD1 LEU 12 3HD1 LEU 12 6.925 2.455 5.833
121 1HD2 LEU 12 1HD2 LEU 12 8.910 -0.196 4.657
122 2HD2 LEU 12 2HD2 LEU 12 7.221 -0.152 5.161
123 3HD2 LEU 12 3HD2 LEU 12 8.424 0.804 6.026
124 H LYS 13 H LYS 13 7.387 -1.339 1.299
125 HA LYS 13 HA LYS 13 9.991 -2.092 2.230
126 1HB LYS 13 2HB LYS 13 7.752 -3.653 0.944
127 2HB LYS 13 1HB LYS 13 9.219 -4.383 1.588
128 1HG LYS 13 2HG LYS 13 8.402 -2.978 3.738
129 2HG LYS 13 1HG LYS 13 6.848 -3.342 2.984
130 1HD LYS 13 2HD LYS 13 8.969 -5.389 3.625
131 2HD LYS 13 1HD LYS 13 7.565 -5.047 4.638
132 1HE LYS 13 2HE LYS 13 6.938 -5.584 1.824
133 2HE LYS 13 1HE LYS 13 7.662 -6.944 2.682
134 1HZ LYS 13 1HZ LYS 13 5.034 -5.831 2.920
135 2HZ LYS 13 2HZ LYS 13 5.797 -5.990 4.421
136 3HZ LYS 13 3HZ LYS 13 5.614 -7.340 3.419
137 H VAL 14 H VAL 14 8.257 -1.846 -0.772
138 HA VAL 14 HA VAL 14 10.214 -2.963 -2.451
139 HB VAL 14 HB VAL 14 7.803 -1.243 -2.875
140 1HG1 VAL 14 1HG1 VAL 14 9.277 -0.532 -4.627
141 2HG1 VAL 14 2HG1 VAL 14 8.103 -1.641 -5.339
142 3HG1 VAL 14 3HG1 VAL 14 9.741 -2.195 -4.987
143 1HG2 VAL 14 1HG2 VAL 14 7.961 -3.870 -2.404
144 2HG2 VAL 14 2HG2 VAL 14 8.114 -3.888 -4.161
145 3HG2 VAL 14 3HG2 VAL 14 6.703 -3.147 -3.406
146 H LEU 15 H LEU 15 9.845 -0.005 -0.907
147 HA LEU 15 HA LEU 15 11.234 1.713 -2.680
148 1HB LEU 15 2HB LEU 15 9.736 1.940 -0.365
149 2HB LEU 15 1HB LEU 15 11.345 2.428 0.140
150 HG LEU 15 HG LEU 15 9.893 4.319 -0.576
151 1HD1 LEU 15 1HD1 LEU 15 11.611 5.497 -1.601
152 2HD1 LEU 15 2HD1 LEU 15 12.190 4.084 -2.484
153 3HD1 LEU 15 3HD1 LEU 15 12.460 4.210 -0.746
154 1HD2 LEU 15 1HD2 LEU 15 10.196 4.046 -3.395
155 2HD2 LEU 15 2HD2 LEU 15 8.714 4.208 -2.453
156 3HD2 LEU 15 3HD2 LEU 15 9.383 2.609 -2.774
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 -6.012 3.534 1.656
2 2H LYS 1 2HT LYS 1 -5.677 5.113 2.236
3 3H LYS 1 3HT LYS 1 -7.298 4.615 1.983
4 HA LYS 1 HA LYS 1 -5.435 3.906 4.089
5 1HB LYS 1 2HB LYS 1 -7.408 4.308 5.469
6 2HB LYS 1 1HB LYS 1 -7.070 5.684 4.433
7 1HG LYS 1 2HG LYS 1 -8.812 4.207 2.916
8 2HG LYS 1 1HG LYS 1 -9.410 3.955 4.555
9 1HD LYS 1 2HD LYS 1 -9.592 6.326 4.912
10 2HD LYS 1 1HD LYS 1 -8.815 6.661 3.364
11 1HE LYS 1 2HE LYS 1 -11.069 6.961 2.898
12 2HE LYS 1 1HE LYS 1 -10.762 5.315 2.346
13 1HZ LYS 1 1HZ LYS 1 -11.548 4.634 4.653
14 2HZ LYS 1 2HZ LYS 1 -12.724 5.172 3.564
15 3HZ LYS 1 3HZ LYS 1 -12.171 6.202 4.786
16 H TRP 2 H TRP 2 -7.932 2.650 2.134
17 HA TRP 2 HA TRP 2 -8.372 0.444 3.696
18 1HB TRP 2 2HB TRP 2 -9.605 -0.257 1.401
19 2HB TRP 2 1HB TRP 2 -10.316 0.658 2.722
20 HD1 TRP 2 HD TRP 2 -11.658 2.345 1.411
21 HE1 TRP 2 1HE TRP 2 -11.087 4.184 -0.320
22 HE3 TRP 2 3HE TRP 2 -6.931 1.149 0.820
23 HZ2 TRP 2 2HZ TRP 2 -8.731 5.010 -1.764
24 HZ3 TRP 2 3HZ TRP 2 -5.508 2.434 -0.662
25 HH2 TRP 2 HH TRP 2 -6.357 4.345 -1.954
26 H LYS 3 H LYS 3 -8.225 -0.640 0.434
27 HA LYS 3 HA LYS 3 -6.528 -2.779 1.297
28 1HB LYS 3 2HB LYS 3 -8.033 -2.395 -1.273
29 2HB LYS 3 1HB LYS 3 -7.138 -3.848 -0.848
30 1HG LYS 3 2HG LYS 3 -9.341 -2.815 0.899
31 2HG LYS 3 1HG LYS 3 -9.675 -3.832 -0.504
32 1HD LYS 3 2HD LYS 3 -8.117 -5.528 0.422
33 2HD LYS 3 1HD LYS 3 -7.940 -4.526 1.864
34 1HE LYS 3 2HE LYS 3 -9.728 -5.526 2.721
35 2HE LYS 3 1HE LYS 3 -10.701 -4.803 1.441
36 1HZ LYS 3 1HZ LYS 3 -9.501 -7.497 1.548
37 2HZ LYS 3 2HZ LYS 3 -9.916 -6.797 0.065
38 3HZ LYS 3 3HZ LYS 3 -11.106 -7.061 1.235
39 H LEU 4 H LEU 4 -6.160 0.016 -0.255
40 HA LEU 4 HA LEU 4 -3.778 -0.852 -1.678
41 1HB LEU 4 2HB LEU 4 -5.701 1.188 -2.121
42 2HB LEU 4 1HB LEU 4 -4.106 1.895 -1.934
43 HG LEU 4 HG LEU 4 -3.423 0.038 -3.671
44 1HD1 LEU 4 1HD1 LEU 4 -5.432 -1.150 -3.902
45 2HD1 LEU 4 2HD1 LEU 4 -5.318 -0.158 -5.356
46 3HD1 LEU 4 3HD1 LEU 4 -6.388 0.327 -4.040
47 1HD2 LEU 4 1HD2 LEU 4 -4.837 2.617 -4.319
48 2HD2 LEU 4 2HD2 LEU 4 -3.943 1.662 -5.502
49 3HD2 LEU 4 3HD2 LEU 4 -3.105 2.358 -4.116
50 H PHE 5 H PHE 5 -4.917 0.925 1.100
51 HA PHE 5 HA PHE 5 -2.514 2.326 1.668
52 1HB PHE 5 2HB PHE 5 -4.632 2.835 2.784
53 2HB PHE 5 1HB PHE 5 -4.628 1.256 3.563
54 HD1 PHE 5 1HD PHE 5 -3.228 0.845 5.478
55 HD2 PHE 5 2HD PHE 5 -3.007 4.556 3.408
56 HE1 PHE 5 1HE PHE 5 -1.864 1.777 7.301
57 HE2 PHE 5 2HE PHE 5 -1.645 5.497 5.228
58 HZ PHE 5 HZ PHE 5 -1.069 4.106 7.178
59 H LYS 6 H LYS 6 -3.572 -0.841 1.777
60 HA LYS 6 HA LYS 6 -1.499 -1.798 3.493
61 1HB LYS 6 2HB LYS 6 -2.564 -3.895 3.403
62 2HB LYS 6 1HB LYS 6 -3.873 -2.720 3.420
63 1HG LYS 6 2HG LYS 6 -4.638 -3.366 1.445
64 2HG LYS 6 1HG LYS 6 -3.025 -3.437 0.728
65 1HD LYS 6 2HD LYS 6 -4.121 -5.538 2.590
66 2HD LYS 6 1HD LYS 6 -4.242 -5.633 0.832
67 1HE LYS 6 2HE LYS 6 -1.579 -5.085 1.238
68 2HE LYS 6 1HE LYS 6 -1.971 -6.147 2.591
69 1HZ LYS 6 1HZ LYS 6 -2.801 -6.863 -0.144
70 2HZ LYS 6 2HZ LYS 6 -2.526 -7.872 1.184
71 3HZ LYS 6 3HZ LYS 6 -1.219 -7.173 0.370
72 H LYS 7 H LYS 7 -2.283 -1.334 0.133
73 HA LYS 7 HA LYS 7 -0.031 -2.949 -0.744
74 1HB LYS 7 2HB LYS 7 -2.415 -2.279 -1.946
75 2HB LYS 7 1HB LYS 7 -1.276 -1.185 -2.719
76 1HG LYS 7 2HG LYS 7 -0.592 -4.076 -2.518
77 2HG LYS 7 1HG LYS 7 -1.764 -3.546 -3.725
78 1HD LYS 7 2HD LYS 7 1.025 -2.439 -3.409
79 2HD LYS 7 1HD LYS 7 0.540 -3.639 -4.609
80 1HE LYS 7 2HE LYS 7 -1.260 -1.851 -5.236
81 2HE LYS 7 1HE LYS 7 -0.151 -0.738 -4.435
82 1HZ LYS 7 1HZ LYS 7 0.091 -2.055 -6.985
83 2HZ LYS 7 2HZ LYS 7 1.493 -2.146 -6.044
84 3HZ LYS 7 3HZ LYS 7 0.827 -0.638 -6.425
85 H ILE 8 H ILE 8 -0.523 0.050 0.526
86 HA ILE 8 HA ILE 8 1.625 1.220 -1.015
87 HB ILE 8 HB ILE 8 -0.314 2.377 0.965
88 1HG1 ILE 8 2HG1 ILE 8 0.321 3.259 -1.853
89 2HG1 ILE 8 1HG1 ILE 8 -0.897 2.041 -1.483
90 1HG2 ILE 8 1HG2 ILE 8 1.706 3.455 1.566
91 2HG2 ILE 8 2HG2 ILE 8 0.836 4.586 0.527
92 3HG2 ILE 8 3HG2 ILE 8 2.187 3.655 -0.119
93 1HD1 ILE 8 1HD1 ILE 8 -2.090 4.027 -1.706
94 2HD1 ILE 8 2HD1 ILE 8 -0.895 4.954 -0.802
95 3HD1 ILE 8 3HD1 ILE 8 -1.938 3.805 0.037
96 H GLY 9 H GLY 9 0.899 0.046 2.126
97 1HA GLY 9 2HA GLY 9 3.182 1.028 3.481
98 2HA GLY 9 1HA GLY 9 2.217 -0.361 3.973
99 H ALA 10 H ALA 10 2.586 -1.866 1.548
100 HA ALA 10 HA ALA 10 5.134 -2.965 2.219
101 1HB ALA 10 1HB ALA 10 3.812 -4.717 1.599
102 2HB ALA 10 2HB ALA 10 4.523 -4.362 0.022
103 3HB ALA 10 3HB ALA 10 2.912 -3.761 0.421
104 H VAL 11 H VAL 11 3.850 -0.944 -0.359
105 HA VAL 11 HA VAL 11 6.040 -1.135 -2.096
106 HB VAL 11 HB VAL 11 4.392 1.336 -1.499
107 1HG1 VAL 11 1HG1 VAL 11 5.464 2.421 -3.142
108 2HG1 VAL 11 2HG1 VAL 11 5.538 0.991 -4.171
109 3HG1 VAL 11 3HG1 VAL 11 6.731 1.220 -2.892
110 1HG2 VAL 11 1HG2 VAL 11 3.887 -0.142 -3.973
111 2HG2 VAL 11 2HG2 VAL 11 2.754 0.546 -2.808
112 3HG2 VAL 11 3HG2 VAL 11 3.483 -1.031 -2.505
113 H LEU 12 H LEU 12 5.512 0.417 0.929
114 HA LEU 12 HA LEU 12 7.628 2.204 1.165
115 1HB LEU 12 2HB LEU 12 5.804 1.801 2.827
116 2HB LEU 12 1HB LEU 12 6.551 0.257 3.218
117 HG LEU 12 HG LEU 12 8.502 2.348 3.512
118 1HD1 LEU 12 1HD1 LEU 12 6.175 2.766 5.346
119 2HD1 LEU 12 2HD1 LEU 12 6.293 3.647 3.823
120 3HD1 LEU 12 3HD1 LEU 12 7.558 3.816 5.039
121 1HD2 LEU 12 1HD2 LEU 12 9.006 0.593 4.832
122 2HD2 LEU 12 2HD2 LEU 12 7.316 0.138 5.054
123 3HD2 LEU 12 3HD2 LEU 12 8.010 1.449 6.010
124 H LYS 13 H LYS 13 7.393 -1.243 1.352
125 HA LYS 13 HA LYS 13 10.079 -1.728 2.227
126 1HB LYS 13 2HB LYS 13 8.142 -3.238 2.705
127 2HB LYS 13 1HB LYS 13 8.085 -3.629 0.990
128 1HG LYS 13 2HG LYS 13 9.278 -5.399 1.838
129 2HG LYS 13 1HG LYS 13 10.573 -4.308 1.342
130 1HD LYS 13 2HD LYS 13 10.999 -3.634 3.551
131 2HD LYS 13 1HD LYS 13 9.463 -4.281 4.133
132 1HE LYS 13 2HE LYS 13 10.615 -6.084 4.760
133 2HE LYS 13 1HE LYS 13 10.719 -6.484 3.046
134 1HZ LYS 13 1HZ LYS 13 12.764 -5.499 4.841
135 2HZ LYS 13 2HZ LYS 13 12.752 -4.769 3.315
136 3HZ LYS 13 3HZ LYS 13 12.910 -6.447 3.448
137 H VAL 14 H VAL 14 8.268 -1.804 -0.750
138 HA VAL 14 HA VAL 14 10.350 -2.815 -2.373
139 HB VAL 14 HB VAL 14 7.625 -1.709 -2.794
140 1HG1 VAL 14 1HG1 VAL 14 7.946 -2.014 -5.286
141 2HG1 VAL 14 2HG1 VAL 14 9.683 -2.013 -4.979
142 3HG1 VAL 14 3HG1 VAL 14 8.715 -0.591 -4.586
143 1HG2 VAL 14 1HG2 VAL 14 7.501 -3.967 -2.453
144 2HG2 VAL 14 2HG2 VAL 14 9.046 -4.286 -3.239
145 3HG2 VAL 14 3HG2 VAL 14 7.622 -3.919 -4.212
146 H LEU 15 H LEU 15 9.794 0.125 -0.955
147 HA LEU 15 HA LEU 15 10.776 1.867 -3.002
148 1HB LEU 15 2HB LEU 15 9.339 2.135 -0.674
149 2HB LEU 15 1HB LEU 15 10.899 2.814 -0.238
150 HG LEU 15 HG LEU 15 10.738 4.354 -2.179
151 1HD1 LEU 15 1HD1 LEU 15 9.365 3.569 -3.790
152 2HD1 LEU 15 2HD1 LEU 15 8.165 4.506 -2.902
153 3HD1 LEU 15 3HD1 LEU 15 8.294 2.767 -2.641
154 1HD2 LEU 15 1HD2 LEU 15 8.489 4.427 -0.175
155 2HD2 LEU 15 2HD2 LEU 15 8.942 5.776 -1.218
156 3HD2 LEU 15 3HD2 LEU 15 10.082 5.166 -0.019
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 -4.380 4.151 4.332
2 2H LYS 1 2HT LYS 1 -5.077 3.138 5.527
3 3H LYS 1 3HT LYS 1 -5.487 4.802 5.465
4 HA LYS 1 HA LYS 1 -7.222 4.199 4.340
5 1HB LYS 1 2HB LYS 1 -4.958 4.392 2.551
6 2HB LYS 1 1HB LYS 1 -6.184 3.326 1.887
7 1HG LYS 1 2HG LYS 1 -6.658 5.489 1.078
8 2HG LYS 1 1HG LYS 1 -7.857 5.150 2.331
9 1HD LYS 1 2HD LYS 1 -5.841 6.294 3.774
10 2HD LYS 1 1HD LYS 1 -5.736 7.172 2.245
11 1HE LYS 1 2HE LYS 1 -7.949 7.950 2.423
12 2HE LYS 1 1HE LYS 1 -8.343 6.783 3.685
13 1HZ LYS 1 1HZ LYS 1 -6.433 8.074 4.922
14 2HZ LYS 1 2HZ LYS 1 -8.030 8.632 4.942
15 3HZ LYS 1 3HZ LYS 1 -6.907 9.324 3.883
16 H TRP 2 H TRP 2 -7.958 2.419 2.471
17 HA TRP 2 HA TRP 2 -8.221 0.161 3.995
18 1HB TRP 2 2HB TRP 2 -9.483 -0.576 1.746
19 2HB TRP 2 1HB TRP 2 -10.193 0.308 3.085
20 HD1 TRP 2 HD TRP 2 -11.662 1.909 1.805
21 HE1 TRP 2 1HE TRP 2 -11.243 3.764 0.046
22 HE3 TRP 2 3HE TRP 2 -6.897 0.960 1.092
23 HZ2 TRP 2 2HZ TRP 2 -8.971 4.704 -1.473
24 HZ3 TRP 2 3HZ TRP 2 -5.586 2.311 -0.435
25 HH2 TRP 2 HH TRP 2 -6.570 4.164 -1.722
26 H LYS 3 H LYS 3 -8.130 -0.895 0.750
27 HA LYS 3 HA LYS 3 -6.280 -2.936 1.550
28 1HB LYS 3 2HB LYS 3 -7.903 -2.710 -0.967
29 2HB LYS 3 1HB LYS 3 -6.971 -4.119 -0.479
30 1HG LYS 3 2HG LYS 3 -8.406 -4.247 1.569
31 2HG LYS 3 1HG LYS 3 -9.418 -2.992 0.854
32 1HD LYS 3 2HD LYS 3 -9.966 -4.397 -1.003
33 2HD LYS 3 1HD LYS 3 -8.786 -5.609 -0.499
34 1HE LYS 3 2HE LYS 3 -10.071 -6.264 1.342
35 2HE LYS 3 1HE LYS 3 -11.053 -4.801 1.290
36 1HZ LYS 3 1HZ LYS 3 -12.084 -6.945 0.435
37 2HZ LYS 3 2HZ LYS 3 -11.091 -6.761 -0.921
38 3HZ LYS 3 3HZ LYS 3 -12.236 -5.575 -0.545
39 H LEU 4 H LEU 4 -6.098 -0.136 0.035
40 HA LEU 4 HA LEU 4 -3.782 -0.912 -1.542
41 1HB LEU 4 2HB LEU 4 -5.786 1.079 -1.845
42 2HB LEU 4 1HB LEU 4 -4.197 1.821 -1.762
43 HG LEU 4 HG LEU 4 -4.279 -0.474 -3.559
44 1HD1 LEU 4 1HD1 LEU 4 -5.468 1.304 -5.237
45 2HD1 LEU 4 2HD1 LEU 4 -6.382 1.556 -3.751
46 3HD1 LEU 4 3HD1 LEU 4 -6.286 -0.054 -4.463
47 1HD2 LEU 4 1HD2 LEU 4 -2.408 1.033 -3.514
48 2HD2 LEU 4 2HD2 LEU 4 -3.457 2.412 -3.841
49 3HD2 LEU 4 3HD2 LEU 4 -3.214 1.176 -5.075
50 H PHE 5 H PHE 5 -4.840 0.692 1.353
51 HA PHE 5 HA PHE 5 -2.500 2.215 1.876
52 1HB PHE 5 2HB PHE 5 -4.391 2.643 3.242
53 2HB PHE 5 1HB PHE 5 -4.593 0.944 3.657
54 HD1 PHE 5 1HD PHE 5 -3.726 0.174 5.671
55 HD2 PHE 5 2HD PHE 5 -2.181 3.774 4.007
56 HE1 PHE 5 1HE PHE 5 -2.344 0.505 7.680
57 HE2 PHE 5 2HE PHE 5 -0.801 4.114 6.014
58 HZ PHE 5 HZ PHE 5 -0.880 2.478 7.853
59 H LYS 6 H LYS 6 -3.399 -1.010 1.899
60 HA LYS 6 HA LYS 6 -1.159 -1.949 3.388
61 1HB LYS 6 2HB LYS 6 -2.126 -4.103 3.212
62 2HB LYS 6 1HB LYS 6 -3.467 -2.986 3.438
63 1HG LYS 6 2HG LYS 6 -4.364 -3.452 1.466
64 2HG LYS 6 1HG LYS 6 -2.802 -3.506 0.639
65 1HD LYS 6 2HD LYS 6 -2.568 -5.738 0.954
66 2HD LYS 6 1HD LYS 6 -3.362 -5.705 2.530
67 1HE LYS 6 2HE LYS 6 -5.526 -5.304 1.271
68 2HE LYS 6 1HE LYS 6 -4.634 -5.712 -0.194
69 1HZ LYS 6 1HZ LYS 6 -5.697 -7.671 0.573
70 2HZ LYS 6 2HZ LYS 6 -5.131 -7.457 2.151
71 3HZ LYS 6 3HZ LYS 6 -4.050 -7.851 0.911
72 H LYS 7 H LYS 7 -2.186 -1.347 0.127
73 HA LYS 7 HA LYS 7 0.062 -2.766 -1.023
74 1HB LYS 7 2HB LYS 7 -2.286 -2.490 -2.094
75 2HB LYS 7 1HB LYS 7 -1.727 -0.877 -2.513
76 1HG LYS 7 2HG LYS 7 0.117 -3.040 -3.240
77 2HG LYS 7 1HG LYS 7 -1.438 -3.073 -4.072
78 1HD LYS 7 2HD LYS 7 -0.742 -1.458 -5.432
79 2HD LYS 7 1HD LYS 7 -0.530 -0.384 -4.048
80 1HE LYS 7 2HE LYS 7 1.637 -0.376 -4.591
81 2HE LYS 7 1HE LYS 7 1.687 -2.001 -3.906
82 1HZ LYS 7 1HZ LYS 7 1.808 -2.949 -5.936
83 2HZ LYS 7 2HZ LYS 7 2.470 -1.455 -6.370
84 3HZ LYS 7 3HZ LYS 7 0.841 -1.779 -6.685
85 H ILE 8 H ILE 8 -0.547 0.161 0.412
86 HA ILE 8 HA ILE 8 1.539 1.487 -1.097
87 HB ILE 8 HB ILE 8 -0.440 2.488 0.933
88 1HG1 ILE 8 2HG1 ILE 8 0.093 3.622 -1.798
89 2HG1 ILE 8 1HG1 ILE 8 -0.918 2.193 -1.599
90 1HG2 ILE 8 1HG2 ILE 8 1.526 3.631 1.557
91 2HG2 ILE 8 2HG2 ILE 8 0.597 4.757 0.567
92 3HG2 ILE 8 3HG2 ILE 8 1.986 3.915 -0.122
93 1HD1 ILE 8 1HD1 ILE 8 -1.801 4.759 -1.553
94 2HD1 ILE 8 2HD1 ILE 8 -1.627 4.410 0.167
95 3HD1 ILE 8 3HD1 ILE 8 -2.646 3.384 -0.842
96 H GLY 9 H GLY 9 0.833 0.151 1.976
97 1HA GLY 9 2HA GLY 9 3.114 1.143 3.364
98 2HA GLY 9 1HA GLY 9 2.105 -0.210 3.863
99 H ALA 10 H ALA 10 2.496 -1.663 1.340
100 HA ALA 10 HA ALA 10 4.947 -2.909 2.110
101 1HB ALA 10 1HB ALA 10 3.559 -4.580 1.400
102 2HB ALA 10 2HB ALA 10 4.369 -4.246 -0.132
103 3HB ALA 10 3HB ALA 10 2.776 -3.561 0.192
104 H VAL 11 H VAL 11 3.874 -0.864 -0.569
105 HA VAL 11 HA VAL 11 6.188 -1.151 -2.128
106 HB VAL 11 HB VAL 11 4.547 1.363 -1.726
107 1HG1 VAL 11 1HG1 VAL 11 5.676 2.362 -3.418
108 2HG1 VAL 11 2HG1 VAL 11 5.990 0.841 -4.251
109 3HG1 VAL 11 3HG1 VAL 11 6.964 1.299 -2.853
110 1HG2 VAL 11 1HG2 VAL 11 3.043 0.615 -3.241
111 2HG2 VAL 11 2HG2 VAL 11 3.594 -0.957 -2.661
112 3HG2 VAL 11 3HG2 VAL 11 4.253 -0.288 -4.154
113 H LEU 12 H LEU 12 5.489 0.482 0.815
114 HA LEU 12 HA LEU 12 7.632 2.218 1.158
115 1HB LEU 12 2HB LEU 12 5.750 1.955 2.732
116 2HB LEU 12 1HB LEU 12 6.307 0.330 3.121
117 HG LEU 12 HG LEU 12 8.486 1.527 3.896
118 1HD1 LEU 12 1HD1 LEU 12 8.548 3.750 3.997
119 2HD1 LEU 12 2HD1 LEU 12 6.950 3.834 4.738
120 3HD1 LEU 12 3HD1 LEU 12 7.106 3.751 2.983
121 1HD2 LEU 12 1HD2 LEU 12 6.708 0.381 5.288
122 2HD2 LEU 12 2HD2 LEU 12 6.020 1.982 5.554
123 3HD2 LEU 12 3HD2 LEU 12 7.658 1.624 6.104
124 H LYS 13 H LYS 13 7.273 -1.217 1.439
125 HA LYS 13 HA LYS 13 9.932 -1.758 2.379
126 1HB LYS 13 2HB LYS 13 7.666 -3.487 1.402
127 2HB LYS 13 1HB LYS 13 9.215 -4.147 1.911
128 1HG LYS 13 2HG LYS 13 8.601 -2.629 4.061
129 2HG LYS 13 1HG LYS 13 6.989 -3.095 3.515
130 1HD LYS 13 2HD LYS 13 8.780 -5.354 3.444
131 2HD LYS 13 1HD LYS 13 8.776 -4.614 5.045
132 1HE LYS 13 2HE LYS 13 6.130 -4.943 3.802
133 2HE LYS 13 1HE LYS 13 6.967 -6.443 4.199
134 1HZ LYS 13 1HZ LYS 13 5.465 -5.202 5.941
135 2HZ LYS 13 2HZ LYS 13 6.892 -4.341 6.232
136 3HZ LYS 13 3HZ LYS 13 6.867 -6.023 6.416
137 H VAL 14 H VAL 14 8.184 -1.705 -0.618
138 HA VAL 14 HA VAL 14 10.152 -3.052 -2.151
139 HB VAL 14 HB VAL 14 7.493 -2.575 -2.450
140 1HG1 VAL 14 1HG1 VAL 14 8.755 -0.948 -4.642
141 2HG1 VAL 14 2HG1 VAL 14 8.091 -0.221 -3.182
142 3HG1 VAL 14 3HG1 VAL 14 7.043 -1.139 -4.261
143 1HG2 VAL 14 1HG2 VAL 14 9.644 -3.663 -4.144
144 2HG2 VAL 14 2HG2 VAL 14 8.127 -3.297 -4.967
145 3HG2 VAL 14 3HG2 VAL 14 8.140 -4.403 -3.593
146 H LEU 15 H LEU 15 10.398 -0.209 -0.728
147 HA LEU 15 HA LEU 15 11.658 1.156 -3.005
148 1HB LEU 15 2HB LEU 15 9.723 2.045 -1.307
149 2HB LEU 15 1HB LEU 15 11.175 2.662 -0.534
150 HG LEU 15 HG LEU 15 11.808 3.827 -2.589
151 1HD1 LEU 15 1HD1 LEU 15 9.321 2.527 -3.659
152 2HD1 LEU 15 2HD1 LEU 15 10.957 2.483 -4.316
153 3HD1 LEU 15 3HD1 LEU 15 10.018 3.973 -4.391
154 1HD2 LEU 15 1HD2 LEU 15 9.731 4.482 -0.856
155 2HD2 LEU 15 2HD2 LEU 15 9.107 4.840 -2.466
156 3HD2 LEU 15 3HD2 LEU 15 10.613 5.577 -1.920
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -5.660 3.417 2.142
2 2H LYS 1 2HT LYS 1 -5.471 4.999 2.776
3 3H LYS 1 3HT LYS 1 -7.038 4.389 2.444
4 HA LYS 1 HA LYS 1 -5.183 3.665 4.573
5 1HB LYS 1 2HB LYS 1 -7.220 4.028 5.931
6 2HB LYS 1 1HB LYS 1 -6.734 5.457 5.033
7 1HG LYS 1 2HG LYS 1 -8.498 5.233 3.508
8 2HG LYS 1 1HG LYS 1 -8.815 3.566 3.991
9 1HD LYS 1 2HD LYS 1 -10.467 4.504 5.206
10 2HD LYS 1 1HD LYS 1 -9.166 4.839 6.350
11 1HE LYS 1 2HE LYS 1 -9.786 6.783 4.163
12 2HE LYS 1 1HE LYS 1 -10.772 6.751 5.625
13 1HZ LYS 1 1HZ LYS 1 -8.819 8.330 5.604
14 2HZ LYS 1 2HZ LYS 1 -7.822 6.969 5.723
15 3HZ LYS 1 3HZ LYS 1 -8.938 7.308 6.948
16 H TRP 2 H TRP 2 -7.747 2.544 2.604
17 HA TRP 2 HA TRP 2 -8.192 0.271 4.075
18 1HB TRP 2 2HB TRP 2 -9.492 -0.276 1.765
19 2HB TRP 2 1HB TRP 2 -10.157 0.548 3.165
20 HD1 TRP 2 HD TRP 2 -11.514 2.349 2.029
21 HE1 TRP 2 1HE TRP 2 -10.977 4.297 0.408
22 HE3 TRP 2 3HE TRP 2 -6.831 1.123 1.183
23 HZ2 TRP 2 2HZ TRP 2 -8.660 5.183 -1.061
24 HZ3 TRP 2 3HZ TRP 2 -5.442 2.489 -0.261
25 HH2 TRP 2 HH TRP 2 -6.306 4.500 -1.385
26 H LYS 3 H LYS 3 -8.157 -0.672 0.773
27 HA LYS 3 HA LYS 3 -6.400 -2.824 1.488
28 1HB LYS 3 2HB LYS 3 -8.124 -2.390 -0.929
29 2HB LYS 3 1HB LYS 3 -7.104 -3.805 -0.705
30 1HG LYS 3 2HG LYS 3 -8.373 -4.529 1.166
31 2HG LYS 3 1HG LYS 3 -9.261 -3.005 1.229
32 1HD LYS 3 2HD LYS 3 -10.824 -4.128 0.065
33 2HD LYS 3 1HD LYS 3 -9.771 -3.810 -1.315
34 1HE LYS 3 2HE LYS 3 -10.360 -6.142 -1.302
35 2HE LYS 3 1HE LYS 3 -8.649 -5.978 -0.905
36 1HZ LYS 3 1HZ LYS 3 -10.206 -7.523 0.485
37 2HZ LYS 3 2HZ LYS 3 -10.594 -6.086 1.287
38 3HZ LYS 3 3HZ LYS 3 -8.991 -6.622 1.244
39 H LEU 4 H LEU 4 -6.127 0.025 0.051
40 HA LEU 4 HA LEU 4 -3.833 -0.768 -1.551
41 1HB LEU 4 2HB LEU 4 -5.760 1.323 -1.745
42 2HB LEU 4 1HB LEU 4 -4.135 1.976 -1.679
43 HG LEU 4 HG LEU 4 -4.147 -0.198 -3.524
44 1HD1 LEU 4 1HD1 LEU 4 -6.599 1.367 -3.533
45 2HD1 LEU 4 2HD1 LEU 4 -6.205 -0.131 -4.376
46 3HD1 LEU 4 3HD1 LEU 4 -5.746 1.421 -5.075
47 1HD2 LEU 4 1HD2 LEU 4 -2.819 2.076 -3.292
48 2HD2 LEU 4 2HD2 LEU 4 -4.051 2.631 -4.425
49 3HD2 LEU 4 3HD2 LEU 4 -3.013 1.269 -4.848
50 H PHE 5 H PHE 5 -4.828 0.792 1.388
51 HA PHE 5 HA PHE 5 -2.448 2.225 1.965
52 1HB PHE 5 2HB PHE 5 -4.341 2.648 3.313
53 2HB PHE 5 1HB PHE 5 -4.577 0.943 3.679
54 HD1 PHE 5 1HD PHE 5 -2.667 3.962 4.429
55 HD2 PHE 5 2HD PHE 5 -3.219 -0.148 5.366
56 HE1 PHE 5 1HE PHE 5 -1.303 4.248 6.462
57 HE2 PHE 5 2HE PHE 5 -1.858 0.126 7.400
58 HZ PHE 5 HZ PHE 5 -0.897 2.327 7.949
59 H LYS 6 H LYS 6 -3.438 -0.983 1.902
60 HA LYS 6 HA LYS 6 -1.225 -2.026 3.369
61 1HB LYS 6 2HB LYS 6 -2.258 -4.139 3.159
62 2HB LYS 6 1HB LYS 6 -3.570 -2.990 3.393
63 1HG LYS 6 2HG LYS 6 -4.476 -3.425 1.417
64 2HG LYS 6 1HG LYS 6 -2.916 -3.466 0.588
65 1HD LYS 6 2HD LYS 6 -3.394 -5.668 0.393
66 2HD LYS 6 1HD LYS 6 -2.742 -5.735 2.031
67 1HE LYS 6 2HE LYS 6 -5.621 -5.098 1.738
68 2HE LYS 6 1HE LYS 6 -5.122 -6.751 1.380
69 1HZ LYS 6 1HZ LYS 6 -4.941 -5.278 3.927
70 2HZ LYS 6 2HZ LYS 6 -3.919 -6.591 3.627
71 3HZ LYS 6 3HZ LYS 6 -5.596 -6.809 3.627
72 H LYS 7 H LYS 7 -2.220 -1.324 0.112
73 HA LYS 7 HA LYS 7 -0.018 -2.827 -1.029
74 1HB LYS 7 2HB LYS 7 -2.142 -2.753 -2.257
75 2HB LYS 7 1HB LYS 7 -2.034 -0.999 -2.327
76 1HG LYS 7 2HG LYS 7 0.325 -2.319 -3.403
77 2HG LYS 7 1HG LYS 7 -1.161 -2.755 -4.249
78 1HD LYS 7 2HD LYS 7 -1.493 -0.645 -5.038
79 2HD LYS 7 1HD LYS 7 -0.742 0.114 -3.633
80 1HE LYS 7 2HE LYS 7 0.697 0.511 -5.478
81 2HE LYS 7 1HE LYS 7 1.466 -0.731 -4.489
82 1HZ LYS 7 1HZ LYS 7 0.646 -2.410 -6.012
83 2HZ LYS 7 2HZ LYS 7 1.574 -1.267 -6.844
84 3HZ LYS 7 3HZ LYS 7 -0.113 -1.226 -6.956
85 H ILE 8 H ILE 8 -0.566 0.165 0.341
86 HA ILE 8 HA ILE 8 1.595 1.365 -1.170
87 HB ILE 8 HB ILE 8 -0.387 2.506 0.781
88 1HG1 ILE 8 2HG1 ILE 8 0.248 3.530 -1.970
89 2HG1 ILE 8 1HG1 ILE 8 -0.809 2.139 -1.756
90 1HG2 ILE 8 1HG2 ILE 8 1.711 3.536 1.356
91 2HG2 ILE 8 2HG2 ILE 8 0.713 4.703 0.486
92 3HG2 ILE 8 3HG2 ILE 8 2.045 3.892 -0.338
93 1HD1 ILE 8 1HD1 ILE 8 -1.324 4.701 -0.303
94 2HD1 ILE 8 2HD1 ILE 8 -2.443 3.392 -0.688
95 3HD1 ILE 8 3HD1 ILE 8 -1.863 4.463 -1.965
96 H GLY 9 H GLY 9 0.834 0.123 1.926
97 1HA GLY 9 2HA GLY 9 3.096 1.136 3.324
98 2HA GLY 9 1HA GLY 9 2.087 -0.214 3.832
99 H ALA 10 H ALA 10 2.503 -1.730 1.370
100 HA ALA 10 HA ALA 10 4.967 -2.927 2.176
101 1HB ALA 10 1HB ALA 10 2.807 -3.645 0.279
102 2HB ALA 10 2HB ALA 10 3.626 -4.634 1.489
103 3HB ALA 10 3HB ALA 10 4.410 -4.301 -0.056
104 H VAL 11 H VAL 11 3.885 -0.960 -0.562
105 HA VAL 11 HA VAL 11 6.212 -1.241 -2.100
106 HB VAL 11 HB VAL 11 4.544 1.266 -1.750
107 1HG1 VAL 11 1HG1 VAL 11 6.958 1.260 -2.831
108 2HG1 VAL 11 2HG1 VAL 11 5.644 2.227 -3.503
109 3HG1 VAL 11 3HG1 VAL 11 6.062 0.676 -4.232
110 1HG2 VAL 11 1HG2 VAL 11 3.549 -1.022 -2.612
111 2HG2 VAL 11 2HG2 VAL 11 4.313 -0.514 -4.118
112 3HG2 VAL 11 3HG2 VAL 11 3.100 0.514 -3.353
113 H LEU 12 H LEU 12 5.465 0.462 0.805
114 HA LEU 12 HA LEU 12 7.566 2.232 1.144
115 1HB LEU 12 2HB LEU 12 5.660 1.846 2.714
116 2HB LEU 12 1HB LEU 12 6.386 0.309 3.165
117 HG LEU 12 HG LEU 12 8.374 1.581 4.014
118 1HD1 LEU 12 1HD1 LEU 12 8.594 3.792 3.811
119 2HD1 LEU 12 2HD1 LEU 12 6.913 4.090 4.253
120 3HD1 LEU 12 3HD1 LEU 12 7.327 3.679 2.589
121 1HD2 LEU 12 1HD2 LEU 12 7.191 1.061 5.848
122 2HD2 LEU 12 2HD2 LEU 12 5.666 1.588 5.135
123 3HD2 LEU 12 3HD2 LEU 12 6.759 2.771 5.854
124 H LYS 13 H LYS 13 7.317 -1.213 1.442
125 HA LYS 13 HA LYS 13 9.992 -1.652 2.382
126 1HB LYS 13 2HB LYS 13 7.842 -3.506 1.365
127 2HB LYS 13 1HB LYS 13 9.383 -4.052 2.020
128 1HG LYS 13 2HG LYS 13 7.591 -2.289 3.639
129 2HG LYS 13 1HG LYS 13 7.300 -4.027 3.545
130 1HD LYS 13 2HD LYS 13 8.651 -3.899 5.406
131 2HD LYS 13 1HD LYS 13 9.844 -4.183 4.136
132 1HE LYS 13 2HE LYS 13 10.782 -2.165 4.406
133 2HE LYS 13 1HE LYS 13 9.222 -1.359 4.566
134 1HZ LYS 13 1HZ LYS 13 10.182 -3.025 6.782
135 2HZ LYS 13 2HZ LYS 13 9.198 -1.651 6.819
136 3HZ LYS 13 3HZ LYS 13 10.863 -1.490 6.570
137 H VAL 14 H VAL 14 8.220 -1.765 -0.612
138 HA VAL 14 HA VAL 14 10.306 -2.954 -2.130
139 HB VAL 14 HB VAL 14 7.587 -2.668 -2.424
140 1HG1 VAL 14 1HG1 VAL 14 7.110 -1.414 -4.378
141 2HG1 VAL 14 2HG1 VAL 14 8.819 -1.114 -4.691
142 3HG1 VAL 14 3HG1 VAL 14 8.028 -0.352 -3.311
143 1HG2 VAL 14 1HG2 VAL 14 7.889 -4.321 -3.902
144 2HG2 VAL 14 2HG2 VAL 14 9.601 -4.178 -3.508
145 3HG2 VAL 14 3HG2 VAL 14 8.949 -3.346 -4.920
146 H LEU 15 H LEU 15 10.063 0.010 -0.812
147 HA LEU 15 HA LEU 15 11.446 1.341 -3.045
148 1HB LEU 15 2HB LEU 15 9.129 2.073 -1.686
149 2HB LEU 15 1HB LEU 15 10.374 3.111 -1.013
150 HG LEU 15 HG LEU 15 9.836 2.849 -3.972
151 1HD1 LEU 15 1HD1 LEU 15 8.590 4.859 -3.877
152 2HD1 LEU 15 2HD1 LEU 15 9.002 5.117 -2.182
153 3HD1 LEU 15 3HD1 LEU 15 7.923 3.798 -2.637
154 1HD2 LEU 15 1HD2 LEU 15 12.079 3.743 -2.762
155 2HD2 LEU 15 2HD2 LEU 15 11.135 5.232 -2.835
156 3HD2 LEU 15 3HD2 LEU 15 11.488 4.339 -4.314
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 -5.361 4.781 3.173
2 2H LYS 1 2HT LYS 1 -6.935 4.132 2.970
3 3H LYS 1 3HT LYS 1 -5.562 3.205 2.531
4 HA LYS 1 HA LYS 1 -4.882 3.436 4.917
5 1HB LYS 1 2HB LYS 1 -6.892 3.630 6.421
6 2HB LYS 1 1HB LYS 1 -6.393 5.122 5.641
7 1HG LYS 1 2HG LYS 1 -8.307 5.304 4.486
8 2HG LYS 1 1HG LYS 1 -8.402 3.572 4.167
9 1HD LYS 1 2HD LYS 1 -9.196 3.199 6.455
10 2HD LYS 1 1HD LYS 1 -9.102 4.934 6.768
11 1HE LYS 1 2HE LYS 1 -11.084 5.293 5.814
12 2HE LYS 1 1HE LYS 1 -10.631 4.377 4.379
13 1HZ LYS 1 1HZ LYS 1 -12.383 3.634 6.436
14 2HZ LYS 1 2HZ LYS 1 -11.077 2.560 6.453
15 3HZ LYS 1 3HZ LYS 1 -11.979 2.771 5.037
16 H TRP 2 H TRP 2 -7.528 2.232 3.122
17 HA TRP 2 HA TRP 2 -7.769 -0.078 4.593
18 1HB TRP 2 2HB TRP 2 -9.246 -0.628 2.390
19 2HB TRP 2 1HB TRP 2 -9.814 0.136 3.866
20 HD1 TRP 2 HD TRP 2 -11.326 1.920 2.911
21 HE1 TRP 2 1HE TRP 2 -11.003 3.924 1.301
22 HE3 TRP 2 3HE TRP 2 -6.703 0.873 1.608
23 HZ2 TRP 2 2HZ TRP 2 -8.859 4.924 -0.351
24 HZ3 TRP 2 3HZ TRP 2 -5.496 2.320 0.080
25 HH2 TRP 2 HH TRP 2 -6.524 4.328 -0.905
26 H LYS 3 H LYS 3 -7.993 -0.969 1.284
27 HA LYS 3 HA LYS 3 -6.087 -3.052 1.799
28 1HB LYS 3 2HB LYS 3 -8.430 -3.380 0.791
29 2HB LYS 3 1HB LYS 3 -7.697 -2.818 -0.706
30 1HG LYS 3 2HG LYS 3 -6.083 -4.872 0.495
31 2HG LYS 3 1HG LYS 3 -7.748 -5.422 0.296
32 1HD LYS 3 2HD LYS 3 -6.601 -3.974 -2.000
33 2HD LYS 3 1HD LYS 3 -5.868 -5.540 -1.645
34 1HE LYS 3 2HE LYS 3 -7.551 -6.262 -2.985
35 2HE LYS 3 1HE LYS 3 -8.432 -6.239 -1.458
36 1HZ LYS 3 1HZ LYS 3 -8.708 -4.521 -3.781
37 2HZ LYS 3 2HZ LYS 3 -8.817 -3.742 -2.284
38 3HZ LYS 3 3HZ LYS 3 -9.870 -5.013 -2.654
39 H LEU 4 H LEU 4 -6.078 -0.176 0.391
40 HA LEU 4 HA LEU 4 -3.905 -0.839 -1.424
41 1HB LEU 4 2HB LEU 4 -5.926 1.190 -1.386
42 2HB LEU 4 1HB LEU 4 -4.318 1.876 -1.520
43 HG LEU 4 HG LEU 4 -4.271 -0.163 -3.374
44 1HD1 LEU 4 1HD1 LEU 4 -6.858 1.248 -3.871
45 2HD1 LEU 4 2HD1 LEU 4 -6.816 -0.229 -2.910
46 3HD1 LEU 4 3HD1 LEU 4 -6.242 -0.247 -4.577
47 1HD2 LEU 4 1HD2 LEU 4 -4.447 2.771 -3.398
48 2HD2 LEU 4 2HD2 LEU 4 -4.903 1.977 -4.905
49 3HD2 LEU 4 3HD2 LEU 4 -3.310 1.694 -4.207
50 H PHE 5 H PHE 5 -4.703 0.644 1.617
51 HA PHE 5 HA PHE 5 -2.345 2.175 2.000
52 1HB PHE 5 2HB PHE 5 -4.100 2.511 3.539
53 2HB PHE 5 1HB PHE 5 -4.262 0.790 3.877
54 HD1 PHE 5 1HD PHE 5 -2.772 -0.300 5.429
55 HD2 PHE 5 2HD PHE 5 -2.314 3.826 4.512
56 HE1 PHE 5 1HE PHE 5 -1.235 -0.054 7.335
57 HE2 PHE 5 2HE PHE 5 -0.781 4.086 6.422
58 HZ PHE 5 HZ PHE 5 -0.237 2.142 7.834
59 H LYS 6 H LYS 6 -3.191 -1.074 1.971
60 HA LYS 6 HA LYS 6 -0.817 -2.026 3.225
61 1HB LYS 6 2HB LYS 6 -1.753 -4.182 3.059
62 2HB LYS 6 1HB LYS 6 -3.102 -3.107 3.404
63 1HG LYS 6 2HG LYS 6 -4.135 -3.587 1.506
64 2HG LYS 6 1HG LYS 6 -2.650 -3.508 0.552
65 1HD LYS 6 2HD LYS 6 -2.324 -5.796 2.072
66 2HD LYS 6 1HD LYS 6 -4.041 -5.815 1.666
67 1HE LYS 6 2HE LYS 6 -2.566 -5.080 -0.657
68 2HE LYS 6 1HE LYS 6 -1.830 -6.524 0.037
69 1HZ LYS 6 1HZ LYS 6 -3.905 -6.594 -1.611
70 2HZ LYS 6 2HZ LYS 6 -4.732 -6.520 -0.137
71 3HZ LYS 6 3HZ LYS 6 -3.631 -7.770 -0.426
72 H LYS 7 H LYS 7 -2.113 -1.337 0.065
73 HA LYS 7 HA LYS 7 0.047 -2.696 -1.293
74 1HB LYS 7 2HB LYS 7 -2.458 -2.072 -2.100
75 2HB LYS 7 1HB LYS 7 -1.568 -0.705 -2.754
76 1HG LYS 7 2HG LYS 7 -0.485 -3.419 -3.258
77 2HG LYS 7 1HG LYS 7 -1.943 -2.933 -4.127
78 1HD LYS 7 2HD LYS 7 0.662 -1.409 -4.078
79 2HD LYS 7 1HD LYS 7 0.098 -2.433 -5.399
80 1HE LYS 7 2HE LYS 7 -2.033 -0.838 -5.157
81 2HE LYS 7 1HE LYS 7 -0.793 0.266 -4.567
82 1HZ LYS 7 1HZ LYS 7 -0.565 -1.191 -7.139
83 2HZ LYS 7 2HZ LYS 7 0.382 0.100 -6.595
84 3HZ LYS 7 3HZ LYS 7 -1.236 0.357 -7.011
85 H ILE 8 H ILE 8 -0.507 0.235 0.224
86 HA ILE 8 HA ILE 8 1.667 1.478 -1.253
87 HB ILE 8 HB ILE 8 -0.449 2.589 0.559
88 1HG1 ILE 8 2HG1 ILE 8 0.090 4.170 -1.757
89 2HG1 ILE 8 1HG1 ILE 8 -0.004 2.483 -2.252
90 1HG2 ILE 8 1HG2 ILE 8 1.578 3.596 1.383
91 2HG2 ILE 8 2HG2 ILE 8 0.671 4.793 0.457
92 3HG2 ILE 8 3HG2 ILE 8 2.083 4.012 -0.255
93 1HD1 ILE 8 1HD1 ILE 8 -2.118 3.423 -0.430
94 2HD1 ILE 8 2HD1 ILE 8 -2.208 2.342 -1.821
95 3HD1 ILE 8 3HD1 ILE 8 -2.129 4.087 -2.063
96 H GLY 9 H GLY 9 0.800 0.181 1.780
97 1HA GLY 9 2HA GLY 9 3.027 1.203 3.263
98 2HA GLY 9 1HA GLY 9 1.967 -0.114 3.756
99 H ALA 10 H ALA 10 2.395 -1.653 1.319
100 HA ALA 10 HA ALA 10 4.819 -2.903 2.173
101 1HB ALA 10 1HB ALA 10 3.442 -4.588 1.493
102 2HB ALA 10 2HB ALA 10 4.254 -4.292 -0.046
103 3HB ALA 10 3HB ALA 10 2.661 -3.596 0.261
104 H VAL 11 H VAL 11 3.776 -0.906 -0.541
105 HA VAL 11 HA VAL 11 6.090 -1.224 -2.091
106 HB VAL 11 HB VAL 11 4.409 1.270 -1.733
107 1HG1 VAL 11 1HG1 VAL 11 5.772 2.360 -3.109
108 2HG1 VAL 11 2HG1 VAL 11 5.729 1.043 -4.281
109 3HG1 VAL 11 3HG1 VAL 11 6.903 1.014 -2.965
110 1HG2 VAL 11 1HG2 VAL 11 3.574 -1.078 -2.745
111 2HG2 VAL 11 2HG2 VAL 11 4.242 -0.335 -4.199
112 3HG2 VAL 11 3HG2 VAL 11 2.974 0.488 -3.290
113 H LEU 12 H LEU 12 5.369 0.458 0.822
114 HA LEU 12 HA LEU 12 7.492 2.214 1.157
115 1HB LEU 12 2HB LEU 12 5.604 1.964 2.725
116 2HB LEU 12 1HB LEU 12 6.169 0.349 3.141
117 HG LEU 12 HG LEU 12 8.232 1.358 4.090
118 1HD1 LEU 12 1HD1 LEU 12 7.062 3.765 2.917
119 2HD1 LEU 12 2HD1 LEU 12 8.734 3.404 3.343
120 3HD1 LEU 12 3HD1 LEU 12 7.612 3.971 4.579
121 1HD2 LEU 12 1HD2 LEU 12 5.767 1.127 5.220
122 2HD2 LEU 12 2HD2 LEU 12 6.150 2.817 5.548
123 3HD2 LEU 12 3HD2 LEU 12 7.241 1.544 6.094
124 H LYS 13 H LYS 13 7.198 -1.224 1.420
125 HA LYS 13 HA LYS 13 9.834 -1.690 2.467
126 1HB LYS 13 2HB LYS 13 7.650 -3.487 1.427
127 2HB LYS 13 1HB LYS 13 9.199 -4.101 1.995
128 1HG LYS 13 2HG LYS 13 8.638 -2.778 4.160
129 2HG LYS 13 1HG LYS 13 6.984 -2.839 3.548
130 1HD LYS 13 2HD LYS 13 7.206 -4.720 4.951
131 2HD LYS 13 1HD LYS 13 7.326 -5.346 3.305
132 1HE LYS 13 2HE LYS 13 9.038 -6.409 4.540
133 2HE LYS 13 1HE LYS 13 9.833 -5.179 3.557
134 1HZ LYS 13 1HZ LYS 13 9.510 -5.324 6.448
135 2HZ LYS 13 2HZ LYS 13 9.394 -3.786 5.756
136 3HZ LYS 13 3HZ LYS 13 10.792 -4.709 5.531
137 H VAL 14 H VAL 14 8.145 -1.887 -0.570
138 HA VAL 14 HA VAL 14 10.261 -3.061 -2.037
139 HB VAL 14 HB VAL 14 7.612 -1.858 -2.697
140 1HG1 VAL 14 1HG1 VAL 14 9.780 -2.566 -4.656
141 2HG1 VAL 14 2HG1 VAL 14 8.790 -1.109 -4.584
142 3HG1 VAL 14 3HG1 VAL 14 8.075 -2.636 -5.100
143 1HG2 VAL 14 1HG2 VAL 14 6.890 -3.973 -2.855
144 2HG2 VAL 14 2HG2 VAL 14 8.346 -4.357 -1.939
145 3HG2 VAL 14 3HG2 VAL 14 8.342 -4.516 -3.695
146 H LEU 15 H LEU 15 9.777 -0.028 -0.820
147 HA LEU 15 HA LEU 15 10.988 1.465 -2.986
148 1HB LEU 15 2HB LEU 15 9.253 2.021 -0.862
149 2HB LEU 15 1HB LEU 15 10.733 2.888 -0.487
150 HG LEU 15 HG LEU 15 10.631 4.012 -2.677
151 1HD1 LEU 15 1HD1 LEU 15 9.070 1.958 -3.477
152 2HD1 LEU 15 2HD1 LEU 15 9.163 3.513 -4.304
153 3HD1 LEU 15 3HD1 LEU 15 7.850 3.195 -3.169
154 1HD2 LEU 15 1HD2 LEU 15 8.512 4.243 -0.629
155 2HD2 LEU 15 2HD2 LEU 15 8.242 5.096 -2.149
156 3HD2 LEU 15 3HD2 LEU 15 9.685 5.434 -1.192
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -5.816 3.079 2.279
2 2H LYS 1 2HT LYS 1 -5.671 4.648 2.959
3 3H LYS 1 3HT LYS 1 -7.219 4.017 2.574
4 HA LYS 1 HA LYS 1 -5.414 3.308 4.741
5 1HB LYS 1 2HB LYS 1 -7.342 3.713 6.090
6 2HB LYS 1 1HB LYS 1 -7.217 5.042 4.947
7 1HG LYS 1 2HG LYS 1 -8.919 3.954 3.537
8 2HG LYS 1 1HG LYS 1 -9.074 2.680 4.749
9 1HD LYS 1 2HD LYS 1 -9.970 4.160 6.343
10 2HD LYS 1 1HD LYS 1 -9.455 5.582 5.432
11 1HE LYS 1 2HE LYS 1 -11.469 3.608 4.385
12 2HE LYS 1 1HE LYS 1 -11.922 5.021 5.337
13 1HZ LYS 1 1HZ LYS 1 -10.312 5.222 2.860
14 2HZ LYS 1 2HZ LYS 1 -11.118 6.461 3.681
15 3HZ LYS 1 3HZ LYS 1 -12.003 5.282 2.852
16 H TRP 2 H TRP 2 -7.885 2.119 2.685
17 HA TRP 2 HA TRP 2 -8.218 -0.228 4.063
18 1HB TRP 2 2HB TRP 2 -9.462 -0.758 1.716
19 2HB TRP 2 1HB TRP 2 -10.187 -0.031 3.140
20 HD1 TRP 2 HD TRP 2 -11.633 1.736 2.062
21 HE1 TRP 2 1HE TRP 2 -11.190 3.775 0.526
22 HE3 TRP 2 3HE TRP 2 -6.881 0.808 1.222
23 HZ2 TRP 2 2HZ TRP 2 -8.911 4.849 -0.880
24 HZ3 TRP 2 3HZ TRP 2 -5.556 2.305 -0.148
25 HH2 TRP 2 HH TRP 2 -6.520 4.309 -1.203
26 H LYS 3 H LYS 3 -8.095 -1.044 0.730
27 HA LYS 3 HA LYS 3 -6.220 -3.114 1.393
28 1HB LYS 3 2HB LYS 3 -7.784 -2.755 -1.146
29 2HB LYS 3 1HB LYS 3 -6.899 -4.197 -0.667
30 1HG LYS 3 2HG LYS 3 -9.141 -3.110 0.998
31 2HG LYS 3 1HG LYS 3 -9.433 -4.191 -0.367
32 1HD LYS 3 2HD LYS 3 -9.192 -5.811 1.179
33 2HD LYS 3 1HD LYS 3 -7.468 -5.529 0.930
34 1HE LYS 3 2HE LYS 3 -7.835 -5.513 3.275
35 2HE LYS 3 1HE LYS 3 -7.582 -3.839 2.786
36 1HZ LYS 3 1HZ LYS 3 -9.429 -4.033 4.322
37 2HZ LYS 3 2HZ LYS 3 -10.216 -5.117 3.288
38 3HZ LYS 3 3HZ LYS 3 -9.979 -3.512 2.810
39 H LEU 4 H LEU 4 -6.095 -0.204 0.071
40 HA LEU 4 HA LEU 4 -3.756 -0.805 -1.553
41 1HB LEU 4 2HB LEU 4 -5.796 1.173 -1.694
42 2HB LEU 4 1HB LEU 4 -4.221 1.930 -1.542
43 HG LEU 4 HG LEU 4 -3.696 0.117 -3.478
44 1HD1 LEU 4 1HD1 LEU 4 -5.453 -0.276 -4.906
45 2HD1 LEU 4 2HD1 LEU 4 -6.388 1.094 -4.308
46 3HD1 LEU 4 3HD1 LEU 4 -6.257 -0.374 -3.340
47 1HD2 LEU 4 1HD2 LEU 4 -3.419 2.685 -3.337
48 2HD2 LEU 4 2HD2 LEU 4 -4.938 2.733 -4.231
49 3HD2 LEU 4 3HD2 LEU 4 -3.534 1.922 -4.923
50 H PHE 5 H PHE 5 -4.853 0.578 1.439
51 HA PHE 5 HA PHE 5 -2.560 2.108 2.107
52 1HB PHE 5 2HB PHE 5 -4.456 2.372 3.475
53 2HB PHE 5 1HB PHE 5 -4.647 0.637 3.710
54 HD1 PHE 5 1HD PHE 5 -2.786 3.633 4.691
55 HD2 PHE 5 2HD PHE 5 -3.341 -0.528 5.367
56 HE1 PHE 5 1HE PHE 5 -1.469 3.799 6.766
57 HE2 PHE 5 2HE PHE 5 -2.027 -0.373 7.443
58 HZ PHE 5 HZ PHE 5 -1.086 1.792 8.143
59 H LYS 6 H LYS 6 -3.379 -1.143 1.903
60 HA LYS 6 HA LYS 6 -1.113 -2.127 3.326
61 1HB LYS 6 2HB LYS 6 -2.048 -4.275 3.053
62 2HB LYS 6 1HB LYS 6 -3.413 -3.197 3.318
63 1HG LYS 6 2HG LYS 6 -4.300 -3.624 1.332
64 2HG LYS 6 1HG LYS 6 -2.743 -3.543 0.501
65 1HD LYS 6 2HD LYS 6 -2.317 -5.781 0.790
66 2HD LYS 6 1HD LYS 6 -3.306 -5.890 2.248
67 1HE LYS 6 2HE LYS 6 -5.165 -6.381 1.092
68 2HE LYS 6 1HE LYS 6 -4.812 -5.194 -0.162
69 1HZ LYS 6 1HZ LYS 6 -4.740 -7.805 -0.581
70 2HZ LYS 6 2HZ LYS 6 -3.130 -7.567 -0.119
71 3HZ LYS 6 3HZ LYS 6 -3.767 -6.714 -1.434
72 H LYS 7 H LYS 7 -2.143 -1.341 0.107
73 HA LYS 7 HA LYS 7 0.116 -2.710 -1.094
74 1HB LYS 7 2HB LYS 7 -2.188 -2.567 -2.178
75 2HB LYS 7 1HB LYS 7 -1.820 -0.874 -2.477
76 1HG LYS 7 2HG LYS 7 0.364 -2.463 -3.388
77 2HG LYS 7 1HG LYS 7 -1.138 -3.120 -4.041
78 1HD LYS 7 2HD LYS 7 -0.861 -1.549 -5.630
79 2HD LYS 7 1HD LYS 7 -1.529 -0.459 -4.412
80 1HE LYS 7 2HE LYS 7 0.452 0.561 -4.053
81 2HE LYS 7 1HE LYS 7 1.371 -0.933 -4.235
82 1HZ LYS 7 1HZ LYS 7 1.445 1.014 -6.011
83 2HZ LYS 7 2HZ LYS 7 0.135 0.150 -6.642
84 3HZ LYS 7 3HZ LYS 7 1.632 -0.611 -6.442
85 H ILE 8 H ILE 8 -0.578 0.231 0.336
86 HA ILE 8 HA ILE 8 1.514 1.549 -1.182
87 HB ILE 8 HB ILE 8 -0.551 2.582 0.735
88 1HG1 ILE 8 2HG1 ILE 8 0.162 3.623 -1.999
89 2HG1 ILE 8 1HG1 ILE 8 -0.925 2.254 -1.786
90 1HG2 ILE 8 1HG2 ILE 8 1.468 3.697 1.413
91 2HG2 ILE 8 2HG2 ILE 8 0.467 4.833 0.507
92 3HG2 ILE 8 3HG2 ILE 8 1.868 4.083 -0.261
93 1HD1 ILE 8 1HD1 ILE 8 -2.298 3.765 -0.291
94 2HD1 ILE 8 2HD1 ILE 8 -2.298 4.138 -2.015
95 3HD1 ILE 8 3HD1 ILE 8 -1.314 5.093 -0.906
96 H GLY 9 H GLY 9 0.833 0.240 1.900
97 1HA GLY 9 2HA GLY 9 3.109 1.357 3.243
98 2HA GLY 9 1HA GLY 9 2.095 0.043 3.831
99 H ALA 10 H ALA 10 2.444 -1.535 1.378
100 HA ALA 10 HA ALA 10 4.889 -2.774 2.187
101 1HB ALA 10 1HB ALA 10 3.469 -4.454 1.571
102 2HB ALA 10 2HB ALA 10 4.279 -4.209 0.022
103 3HB ALA 10 3HB ALA 10 2.696 -3.485 0.315
104 H VAL 11 H VAL 11 3.828 -0.751 -0.488
105 HA VAL 11 HA VAL 11 6.059 -1.132 -2.144
106 HB VAL 11 HB VAL 11 4.564 1.459 -1.658
107 1HG1 VAL 11 1HG1 VAL 11 6.933 1.179 -2.947
108 2HG1 VAL 11 2HG1 VAL 11 5.737 2.424 -3.315
109 3HG1 VAL 11 3HG1 VAL 11 5.794 0.944 -4.274
110 1HG2 VAL 11 1HG2 VAL 11 2.928 0.762 -3.031
111 2HG2 VAL 11 2HG2 VAL 11 3.508 -0.851 -2.617
112 3HG2 VAL 11 3HG2 VAL 11 4.050 -0.075 -4.105
113 H LEU 12 H LEU 12 5.532 0.554 0.817
114 HA LEU 12 HA LEU 12 7.777 2.176 1.077
115 1HB LEU 12 2HB LEU 12 6.275 0.451 3.055
116 2HB LEU 12 1HB LEU 12 7.518 1.602 3.538
117 HG LEU 12 HG LEU 12 4.913 2.293 2.173
118 1HD1 LEU 12 1HD1 LEU 12 4.067 2.916 4.195
119 2HD1 LEU 12 2HD1 LEU 12 5.656 3.249 4.884
120 3HD1 LEU 12 3HD1 LEU 12 5.102 1.584 4.711
121 1HD2 LEU 12 1HD2 LEU 12 6.382 3.929 1.431
122 2HD2 LEU 12 2HD2 LEU 12 7.306 3.922 2.933
123 3HD2 LEU 12 3HD2 LEU 12 5.699 4.647 2.890
124 H LYS 13 H LYS 13 7.236 -1.227 1.408
125 HA LYS 13 HA LYS 13 9.812 -1.916 2.432
126 1HB LYS 13 2HB LYS 13 7.648 -3.216 2.731
127 2HB LYS 13 1HB LYS 13 7.830 -3.724 1.054
128 1HG LYS 13 2HG LYS 13 10.119 -4.606 1.744
129 2HG LYS 13 1HG LYS 13 9.573 -4.386 3.408
130 1HD LYS 13 2HD LYS 13 7.533 -5.770 2.734
131 2HD LYS 13 1HD LYS 13 8.455 -6.205 1.294
132 1HE LYS 13 2HE LYS 13 10.277 -7.012 2.783
133 2HE LYS 13 1HE LYS 13 9.228 -6.704 4.165
134 1HZ LYS 13 1HZ LYS 13 7.736 -8.361 3.475
135 2HZ LYS 13 2HZ LYS 13 9.269 -9.050 3.286
136 3HZ LYS 13 3HZ LYS 13 8.427 -8.479 1.934
137 H VAL 14 H VAL 14 8.200 -1.924 -0.663
138 HA VAL 14 HA VAL 14 10.326 -3.115 -2.104
139 HB VAL 14 HB VAL 14 7.633 -2.104 -2.643
140 1HG1 VAL 14 1HG1 VAL 14 8.763 -0.659 -4.210
141 2HG1 VAL 14 2HG1 VAL 14 7.975 -1.961 -5.101
142 3HG1 VAL 14 3HG1 VAL 14 9.717 -2.008 -4.829
143 1HG2 VAL 14 1HG2 VAL 14 8.671 -4.528 -2.506
144 2HG2 VAL 14 2HG2 VAL 14 8.941 -4.252 -4.226
145 3HG2 VAL 14 3HG2 VAL 14 7.308 -4.163 -3.566
146 H LEU 15 H LEU 15 9.851 -0.105 -0.820
147 HA LEU 15 HA LEU 15 11.119 1.464 -2.875
148 1HB LEU 15 2HB LEU 15 9.449 1.944 -0.703
149 2HB LEU 15 1HB LEU 15 10.978 2.675 -0.242
150 HG LEU 15 HG LEU 15 9.596 4.343 -1.294
151 1HD1 LEU 15 1HD1 LEU 15 12.005 3.384 -2.756
152 2HD1 LEU 15 2HD1 LEU 15 11.760 4.864 -1.829
153 3HD1 LEU 15 3HD1 LEU 15 11.061 4.707 -3.441
154 1HD2 LEU 15 1HD2 LEU 15 8.651 4.138 -3.453
155 2HD2 LEU 15 2HD2 LEU 15 8.238 2.657 -2.590
156 3HD2 LEU 15 3HD2 LEU 15 9.539 2.650 -3.780
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 -5.452 3.811 2.108
2 2H LYS 1 2HT LYS 1 -5.582 5.383 2.780
3 3H LYS 1 3HT LYS 1 -6.996 4.492 2.399
4 HA LYS 1 HA LYS 1 -4.995 3.826 4.438
5 1HB LYS 1 2HB LYS 1 -7.366 4.103 5.730
6 2HB LYS 1 1HB LYS 1 -6.158 5.370 5.600
7 1HG LYS 1 2HG LYS 1 -8.079 6.470 4.991
8 2HG LYS 1 1HG LYS 1 -7.429 6.001 3.421
9 1HD LYS 1 2HD LYS 1 -9.000 4.299 3.147
10 2HD LYS 1 1HD LYS 1 -9.379 4.243 4.870
11 1HE LYS 1 2HE LYS 1 -10.414 6.467 4.693
12 2HE LYS 1 1HE LYS 1 -10.069 6.479 2.965
13 1HZ LYS 1 1HZ LYS 1 -11.622 4.266 4.127
14 2HZ LYS 1 2HZ LYS 1 -11.647 4.879 2.550
15 3HZ LYS 1 3HZ LYS 1 -12.384 5.742 3.803
16 H TRP 2 H TRP 2 -7.617 2.832 2.507
17 HA TRP 2 HA TRP 2 -8.227 0.626 4.022
18 1HB TRP 2 2HB TRP 2 -9.512 0.125 1.685
19 2HB TRP 2 1HB TRP 2 -10.159 0.988 3.071
20 HD1 TRP 2 HD TRP 2 -11.389 2.870 1.918
21 HE1 TRP 2 1HE TRP 2 -10.711 4.786 0.310
22 HE3 TRP 2 3HE TRP 2 -6.775 1.362 1.142
23 HZ2 TRP 2 2HZ TRP 2 -8.316 5.527 -1.126
24 HZ3 TRP 2 3HZ TRP 2 -5.281 2.634 -0.284
25 HH2 TRP 2 HH TRP 2 -6.005 4.698 -1.418
26 H LYS 3 H LYS 3 -8.198 -0.398 0.748
27 HA LYS 3 HA LYS 3 -6.535 -2.601 1.537
28 1HB LYS 3 2HB LYS 3 -8.737 -2.975 0.431
29 2HB LYS 3 1HB LYS 3 -8.057 -2.266 -1.027
30 1HG LYS 3 2HG LYS 3 -7.103 -4.180 -1.612
31 2HG LYS 3 1HG LYS 3 -6.372 -4.380 -0.018
32 1HD LYS 3 2HD LYS 3 -9.229 -5.066 -0.706
33 2HD LYS 3 1HD LYS 3 -7.903 -6.229 -0.630
34 1HE LYS 3 2HE LYS 3 -8.566 -6.497 1.500
35 2HE LYS 3 1HE LYS 3 -7.660 -5.011 1.780
36 1HZ LYS 3 1HZ LYS 3 -10.431 -4.715 0.926
37 2HZ LYS 3 2HZ LYS 3 -9.539 -3.808 2.040
38 3HZ LYS 3 3HZ LYS 3 -10.184 -5.303 2.493
39 H LEU 4 H LEU 4 -6.154 0.186 0.018
40 HA LEU 4 HA LEU 4 -3.900 -0.743 -1.576
41 1HB LEU 4 2HB LEU 4 -5.698 1.503 -1.731
42 2HB LEU 4 1HB LEU 4 -4.012 1.966 -1.839
43 HG LEU 4 HG LEU 4 -3.856 0.138 -3.660
44 1HD1 LEU 4 1HD1 LEU 4 -6.755 0.272 -3.137
45 2HD1 LEU 4 2HD1 LEU 4 -5.769 -1.053 -3.756
46 3HD1 LEU 4 3HD1 LEU 4 -6.267 0.253 -4.832
47 1HD2 LEU 4 1HD2 LEU 4 -5.130 1.874 -5.256
48 2HD2 LEU 4 2HD2 LEU 4 -3.528 2.175 -4.584
49 3HD2 LEU 4 3HD2 LEU 4 -4.952 2.875 -3.816
50 H PHE 5 H PHE 5 -4.837 0.939 1.316
51 HA PHE 5 HA PHE 5 -2.407 2.281 1.881
52 1HB PHE 5 2HB PHE 5 -4.293 2.805 3.198
53 2HB PHE 5 1HB PHE 5 -4.601 1.120 3.598
54 HD1 PHE 5 1HD PHE 5 -3.284 0.004 5.309
55 HD2 PHE 5 2HD PHE 5 -2.600 4.080 4.319
56 HE1 PHE 5 1HE PHE 5 -1.938 0.266 7.353
57 HE2 PHE 5 2HE PHE 5 -1.258 4.359 6.366
58 HZ PHE 5 HZ PHE 5 -0.922 2.448 7.883
59 H LYS 6 H LYS 6 -3.526 -0.886 1.894
60 HA LYS 6 HA LYS 6 -1.381 -1.976 3.419
61 1HB LYS 6 2HB LYS 6 -2.488 -4.050 3.235
62 2HB LYS 6 1HB LYS 6 -3.761 -2.848 3.402
63 1HG LYS 6 2HG LYS 6 -4.650 -3.348 1.441
64 2HG LYS 6 1HG LYS 6 -3.081 -3.372 0.627
65 1HD LYS 6 2HD LYS 6 -3.647 -5.577 0.416
66 2HD LYS 6 1HD LYS 6 -2.822 -5.637 1.975
67 1HE LYS 6 2HE LYS 6 -5.767 -5.676 1.399
68 2HE LYS 6 1HE LYS 6 -4.804 -6.839 2.309
69 1HZ LYS 6 1HZ LYS 6 -4.426 -4.981 3.947
70 2HZ LYS 6 2HZ LYS 6 -5.999 -5.601 3.887
71 3HZ LYS 6 3HZ LYS 6 -5.644 -4.124 3.142
72 H LYS 7 H LYS 7 -2.280 -1.346 0.104
73 HA LYS 7 HA LYS 7 -0.075 -2.949 -0.886
74 1HB LYS 7 2HB LYS 7 -1.141 -2.948 -2.866
75 2HB LYS 7 1HB LYS 7 -2.496 -2.254 -1.993
76 1HG LYS 7 2HG LYS 7 -2.105 -0.133 -2.805
77 2HG LYS 7 1HG LYS 7 -0.399 -0.450 -3.115
78 1HD LYS 7 2HD LYS 7 -1.472 -2.229 -4.796
79 2HD LYS 7 1HD LYS 7 -2.769 -1.032 -4.785
80 1HE LYS 7 2HE LYS 7 -0.062 0.080 -5.039
81 2HE LYS 7 1HE LYS 7 -0.573 -0.932 -6.391
82 1HZ LYS 7 1HZ LYS 7 -1.816 1.553 -5.387
83 2HZ LYS 7 2HZ LYS 7 -2.678 0.473 -6.363
84 3HZ LYS 7 3HZ LYS 7 -1.270 1.204 -6.951
85 H ILE 8 H ILE 8 -0.578 0.109 0.332
86 HA ILE 8 HA ILE 8 1.641 1.184 -1.185
87 HB ILE 8 HB ILE 8 -0.329 2.451 0.695
88 1HG1 ILE 8 2HG1 ILE 8 0.365 3.541 -1.988
89 2HG1 ILE 8 1HG1 ILE 8 -0.538 2.030 -1.931
90 1HG2 ILE 8 1HG2 ILE 8 1.792 3.420 1.301
91 2HG2 ILE 8 2HG2 ILE 8 0.855 4.599 0.382
92 3HG2 ILE 8 3HG2 ILE 8 2.178 3.727 -0.393
93 1HD1 ILE 8 1HD1 ILE 8 -2.377 3.242 -1.737
94 2HD1 ILE 8 2HD1 ILE 8 -1.444 4.724 -1.523
95 3HD1 ILE 8 3HD1 ILE 8 -1.828 3.714 -0.128
96 H GLY 9 H GLY 9 0.823 0.070 1.947
97 1HA GLY 9 2HA GLY 9 3.050 1.067 3.374
98 2HA GLY 9 1HA GLY 9 2.077 -0.324 3.837
99 H ALA 10 H ALA 10 2.539 -1.857 1.456
100 HA ALA 10 HA ALA 10 5.082 -2.907 2.219
101 1HB ALA 10 1HB ALA 10 3.789 -4.688 1.614
102 2HB ALA 10 2HB ALA 10 4.547 -4.374 0.053
103 3HB ALA 10 3HB ALA 10 2.919 -3.777 0.380
104 H VAL 11 H VAL 11 3.849 -0.919 -0.394
105 HA VAL 11 HA VAL 11 6.066 -1.144 -2.098
106 HB VAL 11 HB VAL 11 4.429 1.346 -1.556
107 1HG1 VAL 11 1HG1 VAL 11 6.782 1.188 -2.916
108 2HG1 VAL 11 2HG1 VAL 11 5.527 2.393 -3.209
109 3HG1 VAL 11 3HG1 VAL 11 5.606 0.943 -4.208
110 1HG2 VAL 11 1HG2 VAL 11 3.485 -1.012 -2.504
111 2HG2 VAL 11 2HG2 VAL 11 3.953 -0.206 -4.002
112 3HG2 VAL 11 3HG2 VAL 11 2.808 0.567 -2.904
113 H LEU 12 H LEU 12 5.499 0.464 0.899
114 HA LEU 12 HA LEU 12 7.634 2.228 1.130
115 1HB LEU 12 2HB LEU 12 6.296 0.380 3.112
116 2HB LEU 12 1HB LEU 12 7.500 1.571 3.590
117 HG LEU 12 HG LEU 12 4.766 2.111 2.436
118 1HD1 LEU 12 1HD1 LEU 12 4.334 1.906 4.644
119 2HD1 LEU 12 2HD1 LEU 12 4.928 3.566 4.676
120 3HD1 LEU 12 3HD1 LEU 12 6.001 2.236 5.114
121 1HD2 LEU 12 1HD2 LEU 12 5.547 4.551 2.955
122 2HD2 LEU 12 2HD2 LEU 12 5.959 3.795 1.416
123 3HD2 LEU 12 3HD2 LEU 12 7.156 3.876 2.707
124 H LYS 13 H LYS 13 7.352 -1.216 1.400
125 HA LYS 13 HA LYS 13 10.011 -1.705 2.341
126 1HB LYS 13 2HB LYS 13 7.871 -3.495 1.198
127 2HB LYS 13 1HB LYS 13 9.415 -4.091 1.794
128 1HG LYS 13 2HG LYS 13 8.793 -2.918 3.993
129 2HG LYS 13 1HG LYS 13 7.157 -2.865 3.331
130 1HD LYS 13 2HD LYS 13 6.817 -5.008 3.835
131 2HD LYS 13 1HD LYS 13 8.295 -5.491 2.999
132 1HE LYS 13 2HE LYS 13 8.861 -6.148 5.098
133 2HE LYS 13 1HE LYS 13 9.400 -4.472 5.191
134 1HZ LYS 13 1HZ LYS 13 6.861 -5.604 6.227
135 2HZ LYS 13 2HZ LYS 13 7.175 -3.944 6.142
136 3HZ LYS 13 3HZ LYS 13 8.132 -4.935 7.125
137 H VAL 14 H VAL 14 8.292 -1.835 -0.692
138 HA VAL 14 HA VAL 14 10.448 -2.855 -2.217
139 HB VAL 14 HB VAL 14 7.683 -1.942 -2.695
140 1HG1 VAL 14 1HG1 VAL 14 9.764 -1.937 -4.881
141 2HG1 VAL 14 2HG1 VAL 14 8.695 -0.619 -4.402
142 3HG1 VAL 14 3HG1 VAL 14 8.031 -2.051 -5.188
143 1HG2 VAL 14 1HG2 VAL 14 8.980 -4.201 -4.128
144 2HG2 VAL 14 2HG2 VAL 14 7.353 -4.064 -3.463
145 3HG2 VAL 14 3HG2 VAL 14 8.724 -4.344 -2.390
146 H LEU 15 H LEU 15 9.779 0.113 -0.909
147 HA LEU 15 HA LEU 15 10.838 1.783 -2.994
148 1HB LEU 15 2HB LEU 15 9.218 2.133 -0.787
149 2HB LEU 15 1HB LEU 15 10.715 2.916 -0.308
150 HG LEU 15 HG LEU 15 10.474 4.041 -2.707
151 1HD1 LEU 15 1HD1 LEU 15 8.412 2.707 -3.187
152 2HD1 LEU 15 2HD1 LEU 15 8.215 4.453 -3.338
153 3HD1 LEU 15 3HD1 LEU 15 7.601 3.616 -1.912
154 1HD2 LEU 15 1HD2 LEU 15 10.277 4.892 -0.161
155 2HD2 LEU 15 2HD2 LEU 15 8.644 5.238 -0.729
156 3HD2 LEU 15 3HD2 LEU 15 10.034 5.935 -1.563
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 -7.220 4.106 2.453
2 2H LYS 1 2HT LYS 1 -5.788 3.203 2.182
3 3H LYS 1 3HT LYS 1 -5.693 4.803 2.794
4 HA LYS 1 HA LYS 1 -5.358 3.506 4.612
5 1HB LYS 1 2HB LYS 1 -7.398 3.814 5.955
6 2HB LYS 1 1HB LYS 1 -7.017 5.235 4.994
7 1HG LYS 1 2HG LYS 1 -8.763 4.807 3.478
8 2HG LYS 1 1HG LYS 1 -8.982 3.161 4.077
9 1HD LYS 1 2HD LYS 1 -9.295 4.930 6.273
10 2HD LYS 1 1HD LYS 1 -10.258 5.559 4.936
11 1HE LYS 1 2HE LYS 1 -11.279 3.316 4.677
12 2HE LYS 1 1HE LYS 1 -10.382 2.778 6.095
13 1HZ LYS 1 1HZ LYS 1 -12.128 5.142 6.272
14 2HZ LYS 1 2HZ LYS 1 -11.643 4.078 7.495
15 3HZ LYS 1 3HZ LYS 1 -12.800 3.591 6.361
16 H TRP 2 H TRP 2 -7.872 2.245 2.656
17 HA TRP 2 HA TRP 2 -8.193 -0.040 4.141
18 1HB TRP 2 2HB TRP 2 -9.478 -0.661 1.837
19 2HB TRP 2 1HB TRP 2 -10.177 0.126 3.242
20 HD1 TRP 2 HD TRP 2 -11.633 1.855 2.118
21 HE1 TRP 2 1HE TRP 2 -11.207 3.830 0.495
22 HE3 TRP 2 3HE TRP 2 -6.899 0.872 1.239
23 HZ2 TRP 2 2HZ TRP 2 -8.947 4.837 -0.987
24 HZ3 TRP 2 3HZ TRP 2 -5.590 2.309 -0.210
25 HH2 TRP 2 HH TRP 2 -6.564 4.274 -1.326
26 H LYS 3 H LYS 3 -8.129 -0.995 0.841
27 HA LYS 3 HA LYS 3 -6.252 -3.043 1.559
28 1HB LYS 3 2HB LYS 3 -8.555 -3.222 0.217
29 2HB LYS 3 1HB LYS 3 -7.447 -3.037 -1.137
30 1HG LYS 3 2HG LYS 3 -7.378 -5.283 -0.994
31 2HG LYS 3 1HG LYS 3 -6.150 -4.938 0.226
32 1HD LYS 3 2HD LYS 3 -7.430 -6.290 1.506
33 2HD LYS 3 1HD LYS 3 -8.375 -4.818 1.743
34 1HE LYS 3 2HE LYS 3 -9.746 -5.512 -0.251
35 2HE LYS 3 1HE LYS 3 -8.906 -7.061 -0.195
36 1HZ LYS 3 1HZ LYS 3 -10.666 -7.576 1.099
37 2HZ LYS 3 2HZ LYS 3 -10.935 -5.982 1.596
38 3HZ LYS 3 3HZ LYS 3 -9.706 -6.895 2.314
39 H LEU 4 H LEU 4 -6.132 -0.191 0.123
40 HA LEU 4 HA LEU 4 -3.827 -0.871 -1.517
41 1HB LEU 4 2HB LEU 4 -5.854 1.117 -1.696
42 2HB LEU 4 1HB LEU 4 -4.271 1.864 -1.604
43 HG LEU 4 HG LEU 4 -3.775 0.002 -3.480
44 1HD1 LEU 4 1HD1 LEU 4 -5.707 0.017 -5.050
45 2HD1 LEU 4 2HD1 LEU 4 -6.689 0.708 -3.758
46 3HD1 LEU 4 3HD1 LEU 4 -5.988 -0.898 -3.570
47 1HD2 LEU 4 1HD2 LEU 4 -3.140 2.124 -4.045
48 2HD2 LEU 4 2HD2 LEU 4 -4.698 2.827 -3.609
49 3HD2 LEU 4 3HD2 LEU 4 -4.527 1.927 -5.117
50 H PHE 5 H PHE 5 -4.865 0.638 1.436
51 HA PHE 5 HA PHE 5 -2.547 2.169 2.007
52 1HB PHE 5 2HB PHE 5 -4.428 2.509 3.383
53 2HB PHE 5 1HB PHE 5 -4.625 0.788 3.702
54 HD1 PHE 5 1HD PHE 5 -2.737 3.818 4.516
55 HD2 PHE 5 2HD PHE 5 -3.298 -0.304 5.394
56 HE1 PHE 5 1HE PHE 5 -1.389 4.075 6.562
57 HE2 PHE 5 2HE PHE 5 -1.955 -0.059 7.441
58 HZ PHE 5 HZ PHE 5 -0.996 2.134 8.026
59 H LYS 6 H LYS 6 -3.399 -1.078 1.940
60 HA LYS 6 HA LYS 6 -1.126 -2.025 3.380
61 1HB LYS 6 2HB LYS 6 -2.080 -4.177 3.199
62 2HB LYS 6 1HB LYS 6 -3.433 -3.077 3.439
63 1HG LYS 6 2HG LYS 6 -4.345 -3.567 1.480
64 2HG LYS 6 1HG LYS 6 -2.795 -3.544 0.630
65 1HD LYS 6 2HD LYS 6 -3.532 -5.806 2.460
66 2HD LYS 6 1HD LYS 6 -4.081 -5.774 0.782
67 1HE LYS 6 2HE LYS 6 -1.838 -5.753 -0.028
68 2HE LYS 6 1HE LYS 6 -1.194 -5.502 1.594
69 1HZ LYS 6 1HZ LYS 6 -1.476 -7.670 2.143
70 2HZ LYS 6 2HZ LYS 6 -1.268 -7.871 0.477
71 3HZ LYS 6 3HZ LYS 6 -2.823 -7.885 1.140
72 H LYS 7 H LYS 7 -2.182 -1.359 0.139
73 HA LYS 7 HA LYS 7 0.050 -2.796 -1.029
74 1HB LYS 7 2HB LYS 7 -2.109 -2.793 -2.215
75 2HB LYS 7 1HB LYS 7 -2.030 -1.041 -2.323
76 1HG LYS 7 2HG LYS 7 -1.395 -2.036 -4.426
77 2HG LYS 7 1HG LYS 7 -0.008 -1.226 -3.696
78 1HD LYS 7 2HD LYS 7 0.072 -3.848 -2.728
79 2HD LYS 7 1HD LYS 7 -0.336 -3.994 -4.438
80 1HE LYS 7 2HE LYS 7 1.817 -2.089 -3.773
81 2HE LYS 7 1HE LYS 7 2.184 -3.793 -3.510
82 1HZ LYS 7 1HZ LYS 7 1.732 -4.276 -5.773
83 2HZ LYS 7 2HZ LYS 7 2.755 -2.930 -5.760
84 3HZ LYS 7 3HZ LYS 7 1.102 -2.732 -6.059
85 H ILE 8 H ILE 8 -0.625 0.217 0.275
86 HA ILE 8 HA ILE 8 1.498 1.448 -1.263
87 HB ILE 8 HB ILE 8 -0.536 2.564 0.643
88 1HG1 ILE 8 2HG1 ILE 8 0.127 3.629 -2.078
89 2HG1 ILE 8 1HG1 ILE 8 -0.831 2.160 -1.929
90 1HG2 ILE 8 1HG2 ILE 8 1.509 3.666 1.265
91 2HG2 ILE 8 2HG2 ILE 8 0.512 4.790 0.341
92 3HG2 ILE 8 3HG2 ILE 8 1.890 4.001 -0.425
93 1HD1 ILE 8 1HD1 ILE 8 -1.647 4.545 -0.361
94 2HD1 ILE 8 2HD1 ILE 8 -2.630 3.258 -1.061
95 3HD1 ILE 8 3HD1 ILE 8 -1.960 4.520 -2.095
96 H GLY 9 H GLY 9 0.802 0.242 1.860
97 1HA GLY 9 2HA GLY 9 3.082 1.349 3.185
98 2HA GLY 9 1HA GLY 9 2.082 0.022 3.772
99 H ALA 10 H ALA 10 2.422 -1.585 1.368
100 HA ALA 10 HA ALA 10 4.872 -2.807 2.149
101 1HB ALA 10 1HB ALA 10 4.302 -4.182 -0.069
102 2HB ALA 10 2HB ALA 10 2.711 -3.477 0.226
103 3HB ALA 10 3HB ALA 10 3.475 -4.478 1.461
104 H VAL 11 H VAL 11 3.847 -0.700 -0.470
105 HA VAL 11 HA VAL 11 6.091 -1.032 -2.115
106 HB VAL 11 HB VAL 11 4.619 1.554 -1.550
107 1HG1 VAL 11 1HG1 VAL 11 6.985 1.263 -2.861
108 2HG1 VAL 11 2HG1 VAL 11 5.822 2.556 -3.158
109 3HG1 VAL 11 3HG1 VAL 11 5.827 1.121 -4.185
110 1HG2 VAL 11 1HG2 VAL 11 4.093 0.080 -4.036
111 2HG2 VAL 11 2HG2 VAL 11 2.981 0.930 -2.962
112 3HG2 VAL 11 3HG2 VAL 11 3.521 -0.702 -2.563
113 H LEU 12 H LEU 12 5.573 0.515 0.918
114 HA LEU 12 HA LEU 12 7.818 2.130 1.238
115 1HB LEU 12 2HB LEU 12 5.916 1.883 2.838
116 2HB LEU 12 1HB LEU 12 6.513 0.277 3.246
117 HG LEU 12 HG LEU 12 8.625 1.354 4.068
118 1HD1 LEU 12 1HD1 LEU 12 7.291 3.970 4.298
119 2HD1 LEU 12 2HD1 LEU 12 7.856 3.532 2.685
120 3HD1 LEU 12 3HD1 LEU 12 8.990 3.576 4.035
121 1HD2 LEU 12 1HD2 LEU 12 6.358 0.875 5.379
122 2HD2 LEU 12 2HD2 LEU 12 6.435 2.622 5.610
123 3HD2 LEU 12 3HD2 LEU 12 7.765 1.601 6.156
124 H LYS 13 H LYS 13 7.290 -1.289 1.407
125 HA LYS 13 HA LYS 13 9.882 -1.997 2.389
126 1HB LYS 13 2HB LYS 13 7.660 -3.602 1.128
127 2HB LYS 13 1HB LYS 13 9.129 -4.314 1.785
128 1HG LYS 13 2HG LYS 13 7.385 -2.574 3.481
129 2HG LYS 13 1HG LYS 13 7.006 -4.280 3.238
130 1HD LYS 13 2HD LYS 13 8.655 -4.951 4.600
131 2HD LYS 13 1HD LYS 13 9.804 -3.796 3.923
132 1HE LYS 13 2HE LYS 13 9.433 -2.296 5.550
133 2HE LYS 13 1HE LYS 13 7.691 -2.569 5.534
134 1HZ LYS 13 1HZ LYS 13 9.774 -3.961 7.073
135 2HZ LYS 13 2HZ LYS 13 8.347 -4.782 6.684
136 3HZ LYS 13 3HZ LYS 13 8.281 -3.357 7.591
137 H VAL 14 H VAL 14 8.234 -1.897 -0.685
138 HA VAL 14 HA VAL 14 10.347 -3.027 -2.193
139 HB VAL 14 HB VAL 14 7.652 -1.980 -2.678
140 1HG1 VAL 14 1HG1 VAL 14 8.782 -0.506 -4.213
141 2HG1 VAL 14 2HG1 VAL 14 7.991 -1.783 -5.137
142 3HG1 VAL 14 3HG1 VAL 14 9.732 -1.842 -4.864
143 1HG2 VAL 14 1HG2 VAL 14 7.605 -4.234 -2.783
144 2HG2 VAL 14 2HG2 VAL 14 9.278 -4.356 -3.326
145 3HG2 VAL 14 3HG2 VAL 14 8.007 -3.938 -4.475
146 H LEU 15 H LEU 15 9.875 -0.070 -0.789
147 HA LEU 15 HA LEU 15 11.058 1.623 -2.771
148 1HB LEU 15 2HB LEU 15 9.532 1.958 -0.496
149 2HB LEU 15 1HB LEU 15 11.105 2.572 -0.012
150 HG LEU 15 HG LEU 15 11.074 4.095 -1.980
151 1HD1 LEU 15 1HD1 LEU 15 9.655 3.023 -3.516
152 2HD1 LEU 15 2HD1 LEU 15 8.773 4.459 -2.994
153 3HD1 LEU 15 3HD1 LEU 15 8.352 2.877 -2.337
154 1HD2 LEU 15 1HD2 LEU 15 9.615 5.699 -1.006
155 2HD2 LEU 15 2HD2 LEU 15 10.283 4.740 0.315
156 3HD2 LEU 15 3HD2 LEU 15 8.638 4.443 -0.245
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