Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27339 | 2rlg RC | 11002 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 -6.568 15.573 1.886
2 H2 ALA 1 2HT ALA 1 -5.265 16.674 1.697
3 H3 ALA 1 3HT ALA 1 -5.539 15.919 3.214
4 HA ALA 1 HA ALA 1 -4.861 14.501 0.731
5 HB1 ALA 1 1HB ALA 1 -3.000 15.890 1.320
6 HB2 ALA 1 2HB ALA 1 -2.624 14.228 1.774
7 HB3 ALA 1 3HB ALA 1 -3.104 15.393 3.009
8 H LEU 2 H LEU 2 -4.299 12.293 1.094
9 HA LEU 2 HA LEU 2 -4.355 10.922 3.488
10 HB2 LEU 2 2HB LEU 2 -6.730 9.836 3.027
11 HB3 LEU 2 1HB LEU 2 -6.528 11.234 4.065
12 HG LEU 2 HG LEU 2 -6.911 12.116 1.358
13 HD11 LEU 2 1HD1 LEU 2 -9.187 11.313 0.996
14 HD12 LEU 2 2HD1 LEU 2 -9.045 10.266 2.406
15 HD13 LEU 2 3HD1 LEU 2 -8.026 9.987 0.994
16 HD21 LEU 2 1HD2 LEU 2 -7.791 12.719 4.021
17 HD22 LEU 2 2HD2 LEU 2 -9.170 12.704 2.922
18 HD23 LEU 2 3HD2 LEU 2 -7.787 13.744 2.587
19 H TYR 3 H TYR 3 -5.116 10.923 0.095
20 HA TYR 3 HA TYR 3 -5.170 8.219 -0.431
21 HB2 TYR 3 2HB TYR 3 -3.820 10.219 -2.245
22 HB3 TYR 3 1HB TYR 3 -4.656 8.738 -2.706
23 HD1 TYR 3 1HD TYR 3 -6.927 9.396 -0.574
24 HD2 TYR 3 2HD TYR 3 -5.211 11.468 -3.862
25 HE1 TYR 3 1HE TYR 3 -9.005 10.646 -0.851
26 HE2 TYR 3 2HE TYR 3 -7.292 12.740 -4.152
27 HH TYR 3 HH TYR 3 -9.791 12.732 -1.816
28 H LYS 4 H LYS 4 -2.485 10.228 0.392
29 HA LYS 4 HA LYS 4 -0.386 8.611 -0.489
30 HB2 LYS 4 2HB LYS 4 0.965 9.703 1.252
31 HB3 LYS 4 1HB LYS 4 -0.028 10.871 0.392
32 HG2 LYS 4 2HG LYS 4 -1.355 9.809 2.745
33 HG3 LYS 4 1HG LYS 4 0.173 10.604 3.122
34 HD2 LYS 4 2HD LYS 4 -0.570 12.590 1.878
35 HD3 LYS 4 1HD LYS 4 -2.105 11.791 1.535
36 HE2 LYS 4 2HE LYS 4 -2.930 12.442 3.490
37 HE3 LYS 4 1HE LYS 4 -1.585 11.691 4.348
38 HZ1 LYS 4 1HZ LYS 4 -2.059 14.298 4.386
39 HZ2 LYS 4 2HZ LYS 4 -1.021 14.233 3.052
40 HZ3 LYS 4 3HZ LYS 4 -0.507 13.645 4.551
41 H LYS 5 H LYS 5 -2.570 8.380 2.150
42 HA LYS 5 HA LYS 5 -1.260 6.306 3.569
43 HB2 LYS 5 2HB LYS 5 -2.917 7.263 4.872
44 HB3 LYS 5 1HB LYS 5 -3.978 7.521 3.494
45 HG2 LYS 5 2HG LYS 5 -4.240 4.969 3.493
46 HG3 LYS 5 1HG LYS 5 -3.600 5.059 5.135
47 HD2 LYS 5 2HD LYS 5 -5.686 7.028 4.632
48 HD3 LYS 5 1HD LYS 5 -6.248 5.374 4.386
49 HE2 LYS 5 2HE LYS 5 -6.629 5.485 6.611
50 HE3 LYS 5 1HE LYS 5 -4.918 5.060 6.696
51 HZ1 LYS 5 1HZ LYS 5 -6.050 7.802 6.846
52 HZ2 LYS 5 2HZ LYS 5 -4.400 7.431 6.867
53 HZ3 LYS 5 3HZ LYS 5 -5.396 6.919 8.134
54 H PHE 6 H PHE 6 -3.756 6.501 1.144
55 HA PHE 6 HA PHE 6 -4.389 3.849 0.819
56 HB2 PHE 6 2HB PHE 6 -4.244 5.883 -1.400
57 HB3 PHE 6 1HB PHE 6 -5.176 4.392 -1.419
58 HD1 PHE 6 2HD PHE 6 -5.492 5.513 1.830
59 HD2 PHE 6 1HD PHE 6 -6.738 6.489 -2.124
60 HE1 PHE 6 2HE PHE 6 -7.415 6.734 2.742
61 HE2 PHE 6 1HE PHE 6 -8.666 7.714 -1.213
62 HZ PHE 6 HZ PHE 6 -8.999 7.842 1.218
63 H LYS 7 H LYS 7 -1.689 5.619 -0.512
64 HA LYS 7 HA LYS 7 -0.818 3.540 -2.221
65 HB2 LYS 7 2HB LYS 7 1.076 4.802 -2.650
66 HB3 LYS 7 1HB LYS 7 -0.105 6.028 -2.222
67 HG2 LYS 7 2HG LYS 7 1.602 6.769 -0.946
68 HG3 LYS 7 1HG LYS 7 0.934 5.596 0.187
69 HD2 LYS 7 2HD LYS 7 2.752 4.280 -1.593
70 HD3 LYS 7 1HD LYS 7 3.540 5.681 -0.860
71 HE2 LYS 7 2HE LYS 7 2.117 4.461 1.213
72 HE3 LYS 7 1HE LYS 7 2.847 3.137 0.306
73 HZ1 LYS 7 1HZ LYS 7 4.075 4.925 2.100
74 HZ2 LYS 7 2HZ LYS 7 4.789 5.109 0.579
75 HZ3 LYS 7 3HZ LYS 7 4.751 3.588 1.316
76 H LYS 8 H LYS 8 -0.400 4.231 1.171
77 HA LYS 8 HA LYS 8 1.744 2.498 1.711
78 HB2 LYS 8 2HB LYS 8 1.403 3.243 3.793
79 HB3 LYS 8 1HB LYS 8 -0.029 4.074 3.218
80 HG2 LYS 8 2HG LYS 8 -0.579 1.282 3.771
81 HG3 LYS 8 1HG LYS 8 0.103 2.105 5.164
82 HD2 LYS 8 2HD LYS 8 -1.651 3.946 4.561
83 HD3 LYS 8 1HD LYS 8 -2.450 2.618 3.716
84 HE2 LYS 8 2HE LYS 8 -1.857 1.461 6.106
85 HE3 LYS 8 1HE LYS 8 -2.162 3.127 6.592
86 HZ1 LYS 8 1HZ LYS 8 -4.078 1.317 6.322
87 HZ2 LYS 8 2HZ LYS 8 -4.086 1.953 4.755
88 HZ3 LYS 8 3HZ LYS 8 -4.337 2.972 6.082
89 H LYS 9 H LYS 9 -1.702 1.926 1.668
90 HA LYS 9 HA LYS 9 -1.452 -0.899 2.087
91 HB2 LYS 9 2HB LYS 9 -3.495 -0.280 2.892
92 HB3 LYS 9 1HB LYS 9 -3.638 1.067 1.778
93 HG2 LYS 9 2HG LYS 9 -5.294 -0.180 0.919
94 HG3 LYS 9 1HG LYS 9 -3.985 -0.994 0.068
95 HD2 LYS 9 2HD LYS 9 -5.085 -1.868 2.734
96 HD3 LYS 9 1HD LYS 9 -5.590 -2.537 1.180
97 HE2 LYS 9 2HE LYS 9 -3.752 -3.796 1.002
98 HE3 LYS 9 1HE LYS 9 -2.697 -2.495 1.540
99 HZ1 LYS 9 1HZ LYS 9 -3.829 -4.673 3.044
100 HZ2 LYS 9 2HZ LYS 9 -4.002 -3.175 3.806
101 HZ3 LYS 9 3HZ LYS 9 -2.465 -3.728 3.372
102 H LEU 10 H LEU 10 -1.564 1.276 -0.591
103 HA LEU 10 HA LEU 10 -2.116 -0.778 -2.528
104 HB2 LEU 10 2HB LEU 10 -2.619 1.766 -2.683
105 HB3 LEU 10 1HB LEU 10 -0.941 1.895 -3.182
106 HG LEU 10 HG LEU 10 -2.015 -0.174 -4.708
107 HD11 LEU 10 1HD1 LEU 10 -4.002 1.930 -4.133
108 HD12 LEU 10 2HD1 LEU 10 -4.233 0.257 -4.636
109 HD13 LEU 10 3HD1 LEU 10 -3.812 1.485 -5.830
110 HD21 LEU 10 1HD2 LEU 10 -1.797 2.587 -5.808
111 HD22 LEU 10 2HD2 LEU 10 -1.225 1.057 -6.476
112 HD23 LEU 10 3HD2 LEU 10 -0.352 1.820 -5.147
113 H LEU 11 H LEU 11 0.609 0.405 -0.902
114 HA LEU 11 HA LEU 11 2.534 -0.353 -2.883
115 HB2 LEU 11 2HB LEU 11 4.143 0.473 -1.488
116 HB3 LEU 11 1HB LEU 11 2.758 1.322 -0.837
117 HG LEU 11 HG LEU 11 2.626 -0.696 0.815
118 HD11 LEU 11 1HD1 LEU 11 5.187 -1.121 -0.560
119 HD12 LEU 11 2HD1 LEU 11 4.163 -2.259 0.315
120 HD13 LEU 11 3HD1 LEU 11 5.255 -1.195 1.202
121 HD21 LEU 11 1HD2 LEU 11 3.078 1.122 2.033
122 HD22 LEU 11 2HD2 LEU 11 4.188 1.769 0.825
123 HD23 LEU 11 3HD2 LEU 11 4.751 0.567 1.986
124 H LYS 12 H LYS 12 1.187 -1.729 0.029
125 HA LYS 12 HA LYS 12 2.748 -4.059 0.161
126 HB2 LYS 12 2HB LYS 12 1.478 -3.953 2.047
127 HB3 LYS 12 1HB LYS 12 0.174 -3.110 1.236
128 HG2 LYS 12 2HG LYS 12 0.381 -5.913 0.461
129 HG3 LYS 12 1HG LYS 12 0.090 -5.677 2.182
130 HD2 LYS 12 2HD LYS 12 -1.987 -4.872 1.855
131 HD3 LYS 12 1HD LYS 12 -1.538 -4.000 0.389
132 HE2 LYS 12 2HE LYS 12 -1.600 -6.092 -0.870
133 HE3 LYS 12 1HE LYS 12 -2.016 -6.972 0.595
134 HZ1 LYS 12 1HZ LYS 12 -3.664 -4.870 -0.699
135 HZ2 LYS 12 2HZ LYS 12 -4.062 -5.682 0.731
136 HZ3 LYS 12 3HZ LYS 12 -3.972 -6.534 -0.726
137 H SER 13 H SER 13 -0.464 -3.574 -1.239
138 HA SER 13 HA SER 13 -0.616 -6.056 -2.581
139 HB2 SER 13 2HB SER 13 -2.076 -3.752 -3.731
140 HB3 SER 13 1HB SER 13 -2.670 -5.345 -3.266
141 HG SER 13 HG SER 13 -3.277 -3.372 -1.955
142 H LEU 14 H LEU 14 0.226 -2.778 -3.672
143 HA LEU 14 HA LEU 14 0.545 -2.935 -6.311
144 HB2 LEU 14 2HB LEU 14 1.355 -0.963 -5.450
145 HB3 LEU 14 1HB LEU 14 2.286 -1.770 -4.203
146 HG LEU 14 HG LEU 14 3.275 -2.308 -6.899
147 HD11 LEU 14 1HD1 LEU 14 2.773 0.467 -6.036
148 HD12 LEU 14 2HD1 LEU 14 2.958 -0.205 -7.656
149 HD13 LEU 14 3HD1 LEU 14 4.382 0.132 -6.673
150 HD21 LEU 14 1HD2 LEU 14 4.223 -2.258 -4.257
151 HD22 LEU 14 2HD2 LEU 14 5.113 -1.003 -5.119
152 HD23 LEU 14 3HD2 LEU 14 5.122 -2.660 -5.720
153 H LYS 15 H LYS 15 3.085 -4.095 -4.099
154 HA LYS 15 HA LYS 15 4.280 -5.554 -6.299
155 HB2 LYS 15 2HB LYS 15 5.839 -4.370 -4.956
156 HB3 LYS 15 1HB LYS 15 5.171 -5.027 -3.469
157 HG2 LYS 15 2HG LYS 15 6.598 -6.716 -3.534
158 HG3 LYS 15 1HG LYS 15 6.028 -7.182 -5.136
159 HD2 LYS 15 2HD LYS 15 7.574 -5.013 -5.715
160 HD3 LYS 15 1HD LYS 15 8.439 -5.708 -4.342
161 HE2 LYS 15 2HE LYS 15 7.654 -7.150 -6.873
162 HE3 LYS 15 1HE LYS 15 9.277 -6.609 -6.445
163 HZ1 LYS 15 1HZ LYS 15 8.410 -9.061 -5.979
164 HZ2 LYS 15 2HZ LYS 15 7.930 -8.338 -4.528
165 HZ3 LYS 15 3HZ LYS 15 9.555 -8.297 -4.994
166 H ARG 16 H ARG 16 3.995 -6.658 -2.903
167 HA ARG 16 HA ARG 16 3.265 -9.271 -3.970
168 HB2 ARG 16 2HB ARG 16 5.044 -8.535 -2.010
169 HB3 ARG 16 1HB ARG 16 3.681 -9.163 -1.095
170 HG2 ARG 16 2HG ARG 16 5.040 -10.624 -3.347
171 HG3 ARG 16 1HG ARG 16 5.374 -10.874 -1.631
172 HD2 ARG 16 2HD ARG 16 2.577 -11.078 -2.663
173 HD3 ARG 16 1HD ARG 16 3.686 -12.432 -2.859
174 HE ARG 16 HE ARG 16 2.589 -11.405 -0.361
175 HH11 ARG 16 1HH1 ARG 16 4.760 -13.634 -1.966
176 HH12 ARG 16 2HH1 ARG 16 4.956 -14.636 -0.569
177 HH21 ARG 16 1HH2 ARG 16 2.872 -12.719 1.475
178 HH22 ARG 16 2HH2 ARG 16 3.888 -14.119 1.384
179 H LEU 17 H LEU 17 2.401 -7.910 -0.881
180 HA LEU 17 HA LEU 17 -0.115 -7.178 -0.906
181 HB2 LEU 17 2HB LEU 17 -1.644 -9.003 -0.759
182 HB3 LEU 17 1HB LEU 17 -0.740 -9.172 -2.246
183 HG LEU 17 HG LEU 17 0.763 -10.777 -0.802
184 HD11 LEU 17 1HD1 LEU 17 0.021 -10.849 1.324
185 HD12 LEU 17 2HD1 LEU 17 -1.145 -11.998 0.668
186 HD13 LEU 17 3HD1 LEU 17 -1.600 -10.309 0.888
187 HD21 LEU 17 1HD2 LEU 17 -0.752 -12.656 -1.424
188 HD22 LEU 17 2HD2 LEU 17 -0.429 -11.525 -2.737
189 HD23 LEU 17 3HD2 LEU 17 -1.966 -11.460 -1.876
190 H GLY 18 H GLY 18 2.325 -9.008 0.615
191 HA2 GLY 18 2HA GLY 18 1.390 -8.083 3.205
192 HA3 GLY 18 1HA GLY 18 1.496 -9.827 3.020
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 -6.032 15.627 3.001
2 H2 ALA 1 2HT ALA 1 -6.485 15.376 1.363
3 H3 ALA 1 3HT ALA 1 -5.307 16.559 1.758
4 HA ALA 1 HA ALA 1 -4.526 14.388 0.821
5 HB1 ALA 1 1HB ALA 1 -3.062 14.705 3.316
6 HB2 ALA 1 2HB ALA 1 -3.408 16.242 2.524
7 HB3 ALA 1 3HB ALA 1 -2.540 14.978 1.654
8 H LEU 2 H LEU 2 -4.654 12.244 0.981
9 HA LEU 2 HA LEU 2 -4.685 10.837 3.436
10 HB2 LEU 2 2HB LEU 2 -7.001 9.774 2.923
11 HB3 LEU 2 1HB LEU 2 -6.910 11.289 3.803
12 HG LEU 2 HG LEU 2 -7.187 11.464 0.852
13 HD11 LEU 2 1HD1 LEU 2 -8.758 9.634 1.728
14 HD12 LEU 2 2HD1 LEU 2 -9.458 10.941 0.772
15 HD13 LEU 2 3HD1 LEU 2 -9.617 10.949 2.529
16 HD21 LEU 2 1HD2 LEU 2 -7.675 13.085 3.227
17 HD22 LEU 2 2HD2 LEU 2 -8.999 13.132 2.063
18 HD23 LEU 2 3HD2 LEU 2 -7.368 13.576 1.561
19 H TYR 3 H TYR 3 -5.326 10.813 -0.004
20 HA TYR 3 HA TYR 3 -5.286 8.104 -0.494
21 HB2 TYR 3 2HB TYR 3 -4.037 10.234 -2.239
22 HB3 TYR 3 1HB TYR 3 -4.534 8.629 -2.764
23 HD1 TYR 3 2HD TYR 3 -7.013 9.233 -0.605
24 HD2 TYR 3 1HD TYR 3 -5.546 10.829 -4.261
25 HE1 TYR 3 2HE TYR 3 -9.252 10.084 -1.116
26 HE2 TYR 3 1HE TYR 3 -7.785 11.691 -4.788
27 HH TYR 3 HH TYR 3 -10.577 10.806 -2.955
28 H LYS 4 H LYS 4 -2.703 10.179 0.426
29 HA LYS 4 HA LYS 4 -0.527 8.643 -0.385
30 HB2 LYS 4 2HB LYS 4 0.701 10.141 0.786
31 HB3 LYS 4 1HB LYS 4 -0.824 10.982 0.981
32 HG2 LYS 4 2HG LYS 4 0.055 8.928 2.977
33 HG3 LYS 4 1HG LYS 4 0.678 10.570 3.040
34 HD2 LYS 4 2HD LYS 4 -2.114 9.589 3.491
35 HD3 LYS 4 1HD LYS 4 -1.123 10.634 4.498
36 HE2 LYS 4 2HE LYS 4 -2.511 11.344 1.920
37 HE3 LYS 4 1HE LYS 4 -2.839 11.973 3.532
38 HZ1 LYS 4 1HZ LYS 4 -0.156 12.452 2.994
39 HZ2 LYS 4 2HZ LYS 4 -1.404 13.585 3.122
40 HZ3 LYS 4 3HZ LYS 4 -1.015 12.923 1.615
41 H LYS 5 H LYS 5 -2.668 8.425 2.308
42 HA LYS 5 HA LYS 5 -1.396 6.355 3.698
43 HB2 LYS 5 2HB LYS 5 -3.158 7.373 4.865
44 HB3 LYS 5 1HB LYS 5 -4.214 7.343 3.457
45 HG2 LYS 5 2HG LYS 5 -4.157 4.803 3.719
46 HG3 LYS 5 1HG LYS 5 -3.534 5.125 5.337
47 HD2 LYS 5 2HD LYS 5 -5.930 6.657 4.515
48 HD3 LYS 5 1HD LYS 5 -6.162 4.927 4.775
49 HE2 LYS 5 2HE LYS 5 -6.604 5.882 6.856
50 HE3 LYS 5 1HE LYS 5 -4.949 5.293 6.999
51 HZ1 LYS 5 1HZ LYS 5 -5.691 7.747 7.680
52 HZ2 LYS 5 2HZ LYS 5 -5.253 8.030 6.071
53 HZ3 LYS 5 3HZ LYS 5 -4.130 7.370 7.149
54 H PHE 6 H PHE 6 -3.770 6.474 1.138
55 HA PHE 6 HA PHE 6 -4.187 3.730 0.856
56 HB2 PHE 6 2HB PHE 6 -4.254 5.711 -1.428
57 HB3 PHE 6 1HB PHE 6 -5.115 4.183 -1.316
58 HD1 PHE 6 1HD PHE 6 -5.436 5.429 1.868
59 HD2 PHE 6 2HD PHE 6 -6.747 6.237 -2.103
60 HE1 PHE 6 1HE PHE 6 -7.394 6.614 2.759
61 HE2 PHE 6 2HE PHE 6 -8.708 7.420 -1.213
62 HZ PHE 6 HZ PHE 6 -9.029 7.612 1.225
63 H LYS 7 H LYS 7 -1.418 5.595 0.048
64 HA LYS 7 HA LYS 7 -0.440 3.787 -1.945
65 HB2 LYS 7 2HB LYS 7 1.537 5.023 -1.984
66 HB3 LYS 7 1HB LYS 7 0.308 6.221 -1.613
67 HG2 LYS 7 2HG LYS 7 1.846 6.816 -0.061
68 HG3 LYS 7 1HG LYS 7 0.997 5.586 0.867
69 HD2 LYS 7 2HD LYS 7 2.915 4.186 -0.577
70 HD3 LYS 7 1HD LYS 7 3.737 5.642 -0.015
71 HE2 LYS 7 2HE LYS 7 2.055 4.459 2.037
72 HE3 LYS 7 1HE LYS 7 3.279 3.338 1.453
73 HZ1 LYS 7 1HZ LYS 7 3.733 5.099 3.368
74 HZ2 LYS 7 2HZ LYS 7 4.177 6.042 2.035
75 HZ3 LYS 7 3HZ LYS 7 4.944 4.561 2.316
76 H LYS 8 H LYS 8 -0.187 4.169 1.523
77 HA LYS 8 HA LYS 8 1.843 2.300 2.004
78 HB2 LYS 8 2HB LYS 8 1.171 2.277 4.257
79 HB3 LYS 8 1HB LYS 8 0.714 3.869 3.681
80 HG2 LYS 8 2HG LYS 8 -1.086 3.152 4.985
81 HG3 LYS 8 1HG LYS 8 -1.612 2.905 3.326
82 HD2 LYS 8 2HD LYS 8 -1.999 0.776 3.740
83 HD3 LYS 8 1HD LYS 8 -0.308 0.542 4.199
84 HE2 LYS 8 2HE LYS 8 -1.556 -0.142 6.073
85 HE3 LYS 8 1HE LYS 8 -0.957 1.467 6.477
86 HZ1 LYS 8 1HZ LYS 8 -3.584 1.260 5.206
87 HZ2 LYS 8 2HZ LYS 8 -3.027 2.368 6.356
88 HZ3 LYS 8 3HZ LYS 8 -3.458 0.803 6.831
89 H LYS 9 H LYS 9 -1.586 1.920 1.610
90 HA LYS 9 HA LYS 9 -1.469 -0.960 1.871
91 HB2 LYS 9 2HB LYS 9 -3.501 1.031 2.024
92 HB3 LYS 9 1HB LYS 9 -3.950 -0.079 0.740
93 HG2 LYS 9 2HG LYS 9 -3.154 -1.045 3.465
94 HG3 LYS 9 1HG LYS 9 -4.811 -0.576 3.078
95 HD2 LYS 9 2HD LYS 9 -3.181 -2.748 1.775
96 HD3 LYS 9 1HD LYS 9 -4.588 -2.957 2.814
97 HE2 LYS 9 2HE LYS 9 -5.741 -1.450 0.986
98 HE3 LYS 9 1HE LYS 9 -4.431 -2.061 -0.023
99 HZ1 LYS 9 1HZ LYS 9 -5.675 -4.149 1.467
100 HZ2 LYS 9 2HZ LYS 9 -5.433 -4.019 -0.203
101 HZ3 LYS 9 3HZ LYS 9 -6.800 -3.324 0.510
102 H LEU 10 H LEU 10 -1.508 1.429 -0.630
103 HA LEU 10 HA LEU 10 -1.957 -0.529 -2.714
104 HB2 LEU 10 2HB LEU 10 -2.727 1.886 -2.811
105 HB3 LEU 10 1HB LEU 10 -1.044 2.327 -3.023
106 HG LEU 10 HG LEU 10 -1.435 0.423 -4.975
107 HD11 LEU 10 1HD1 LEU 10 -3.745 0.270 -4.914
108 HD12 LEU 10 2HD1 LEU 10 -3.492 1.514 -6.137
109 HD13 LEU 10 3HD1 LEU 10 -3.950 1.970 -4.496
110 HD21 LEU 10 1HD2 LEU 10 -1.820 3.379 -5.377
111 HD22 LEU 10 2HD2 LEU 10 -1.106 2.212 -6.489
112 HD23 LEU 10 3HD2 LEU 10 -0.251 2.663 -5.013
113 H LEU 11 H LEU 11 0.488 0.115 -0.735
114 HA LEU 11 HA LEU 11 2.651 -0.094 -2.638
115 HB2 LEU 11 2HB LEU 11 2.373 0.645 0.188
116 HB3 LEU 11 1HB LEU 11 3.797 -0.316 -0.160
117 HG LEU 11 HG LEU 11 3.079 2.401 -1.204
118 HD11 LEU 11 1HD1 LEU 11 4.778 3.157 0.068
119 HD12 LEU 11 2HD1 LEU 11 5.778 1.737 -0.234
120 HD13 LEU 11 3HD1 LEU 11 4.495 1.671 0.974
121 HD21 LEU 11 1HD2 LEU 11 4.730 0.306 -2.468
122 HD22 LEU 11 2HD2 LEU 11 5.458 1.910 -2.378
123 HD23 LEU 11 3HD2 LEU 11 3.907 1.689 -3.188
124 H LYS 12 H LYS 12 1.499 -1.845 0.216
125 HA LYS 12 HA LYS 12 3.159 -4.097 -0.210
126 HB2 LYS 12 2HB LYS 12 2.197 -4.926 1.662
127 HB3 LYS 12 1HB LYS 12 1.460 -3.339 1.784
128 HG2 LYS 12 2HG LYS 12 0.062 -5.518 0.288
129 HG3 LYS 12 1HG LYS 12 0.011 -5.470 2.046
130 HD2 LYS 12 2HD LYS 12 -1.266 -3.594 2.098
131 HD3 LYS 12 1HD LYS 12 -0.583 -2.959 0.602
132 HE2 LYS 12 2HE LYS 12 -2.739 -3.506 -0.038
133 HE3 LYS 12 1HE LYS 12 -1.832 -4.941 -0.511
134 HZ1 LYS 12 1HZ LYS 12 -2.602 -6.096 1.386
135 HZ2 LYS 12 2HZ LYS 12 -3.960 -5.371 0.687
136 HZ3 LYS 12 3HZ LYS 12 -3.263 -4.699 2.074
137 H SER 13 H SER 13 -0.124 -3.346 -1.163
138 HA SER 13 HA SER 13 -0.697 -5.728 -2.564
139 HB2 SER 13 2HB SER 13 -2.048 -3.338 -1.921
140 HB3 SER 13 1HB SER 13 -2.058 -3.438 -3.681
141 HG SER 13 HG SER 13 -3.129 -5.349 -3.570
142 H LEU 14 H LEU 14 0.481 -2.541 -3.535
143 HA LEU 14 HA LEU 14 0.563 -2.615 -6.220
144 HB2 LEU 14 2HB LEU 14 1.597 -0.731 -5.582
145 HB3 LEU 14 1HB LEU 14 2.228 -1.470 -4.125
146 HG LEU 14 HG LEU 14 3.666 -2.372 -6.480
147 HD11 LEU 14 1HD1 LEU 14 4.828 0.018 -6.503
148 HD12 LEU 14 2HD1 LEU 14 3.177 0.527 -6.152
149 HD13 LEU 14 3HD1 LEU 14 3.522 -0.409 -7.607
150 HD21 LEU 14 1HD2 LEU 14 4.357 -1.037 -3.882
151 HD22 LEU 14 2HD2 LEU 14 5.573 -1.447 -5.091
152 HD23 LEU 14 3HD2 LEU 14 4.606 -2.718 -4.344
153 H LYS 15 H LYS 15 3.146 -4.004 -4.196
154 HA LYS 15 HA LYS 15 4.103 -5.459 -6.515
155 HB2 LYS 15 2HB LYS 15 5.667 -4.263 -4.984
156 HB3 LYS 15 1HB LYS 15 5.265 -5.427 -3.732
157 HG2 LYS 15 2HG LYS 15 6.057 -6.674 -6.238
158 HG3 LYS 15 1HG LYS 15 7.309 -5.643 -5.545
159 HD2 LYS 15 2HD LYS 15 7.742 -7.114 -3.926
160 HD3 LYS 15 1HD LYS 15 6.032 -7.281 -3.527
161 HE2 LYS 15 2HE LYS 15 5.819 -9.175 -4.708
162 HE3 LYS 15 1HE LYS 15 6.796 -8.563 -6.043
163 HZ1 LYS 15 1HZ LYS 15 7.803 -10.476 -4.901
164 HZ2 LYS 15 2HZ LYS 15 7.898 -9.569 -3.476
165 HZ3 LYS 15 3HZ LYS 15 8.782 -9.097 -4.838
166 H ARG 16 H ARG 16 3.999 -6.661 -3.153
167 HA ARG 16 HA ARG 16 3.021 -9.183 -4.236
168 HB2 ARG 16 2HB ARG 16 5.039 -8.724 -2.506
169 HB3 ARG 16 1HB ARG 16 3.737 -9.084 -1.384
170 HG2 ARG 16 2HG ARG 16 4.382 -10.863 -3.708
171 HG3 ARG 16 1HG ARG 16 5.165 -11.028 -2.135
172 HD2 ARG 16 2HD ARG 16 2.181 -10.939 -2.331
173 HD3 ARG 16 1HD ARG 16 3.047 -12.438 -2.675
174 HE ARG 16 HE ARG 16 2.635 -11.220 -0.107
175 HH11 ARG 16 1HH1 ARG 16 4.663 -13.361 -1.970
176 HH12 ARG 16 2HH1 ARG 16 5.297 -14.181 -0.583
177 HH21 ARG 16 1HH2 ARG 16 3.467 -12.294 1.727
178 HH22 ARG 16 2HH2 ARG 16 4.615 -13.573 1.521
179 H LEU 17 H LEU 17 2.503 -7.856 -1.055
180 HA LEU 17 HA LEU 17 0.010 -7.008 -0.876
181 HB2 LEU 17 2HB LEU 17 -1.286 -8.595 -1.801
182 HB3 LEU 17 1HB LEU 17 -0.060 -9.833 -1.638
183 HG LEU 17 HG LEU 17 -0.717 -10.077 0.775
184 HD11 LEU 17 1HD1 LEU 17 -2.216 -8.756 1.753
185 HD12 LEU 17 2HD1 LEU 17 -3.346 -8.913 0.408
186 HD13 LEU 17 3HD1 LEU 17 -2.064 -7.704 0.346
187 HD21 LEU 17 1HD2 LEU 17 -2.211 -11.680 0.236
188 HD22 LEU 17 2HD2 LEU 17 -1.740 -11.265 -1.411
189 HD23 LEU 17 3HD2 LEU 17 -3.210 -10.581 -0.718
190 H GLY 18 H GLY 18 2.466 -9.062 0.377
191 HA2 GLY 18 2HA GLY 18 2.233 -7.931 2.988
192 HA3 GLY 18 1HA GLY 18 1.687 -9.600 2.961
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 -6.659 14.567 1.302
2 H2 ALA 1 2HT ALA 1 -5.831 15.979 0.786
3 H3 ALA 1 3HT ALA 1 -6.427 15.868 2.392
4 HA ALA 1 HA ALA 1 -4.141 14.555 1.148
5 HB1 ALA 1 1HB ALA 1 -3.262 16.263 2.319
6 HB2 ALA 1 2HB ALA 1 -3.477 15.180 3.695
7 HB3 ALA 1 3HB ALA 1 -4.681 16.423 3.354
8 H LEU 2 H LEU 2 -4.634 12.390 1.087
9 HA LEU 2 HA LEU 2 -4.457 10.958 3.519
10 HB2 LEU 2 2HB LEU 2 -6.858 11.772 3.512
11 HB3 LEU 2 1HB LEU 2 -7.116 10.691 2.156
12 HG LEU 2 HG LEU 2 -6.055 8.934 3.849
13 HD11 LEU 2 1HD1 LEU 2 -7.102 9.438 6.108
14 HD12 LEU 2 2HD1 LEU 2 -7.202 11.112 5.565
15 HD13 LEU 2 3HD1 LEU 2 -5.633 10.317 5.693
16 HD21 LEU 2 1HD2 LEU 2 -8.312 8.961 2.693
17 HD22 LEU 2 2HD2 LEU 2 -8.934 9.761 4.135
18 HD23 LEU 2 3HD2 LEU 2 -8.246 8.143 4.253
19 H TYR 3 H TYR 3 -5.145 10.959 0.108
20 HA TYR 3 HA TYR 3 -5.151 8.243 -0.360
21 HB2 TYR 3 2HB TYR 3 -3.901 10.268 -2.222
22 HB3 TYR 3 1HB TYR 3 -4.610 8.714 -2.656
23 HD1 TYR 3 2HD TYR 3 -6.871 9.522 -0.376
24 HD2 TYR 3 1HD TYR 3 -5.466 11.088 -4.072
25 HE1 TYR 3 2HE TYR 3 -9.037 10.614 -0.723
26 HE2 TYR 3 1HE TYR 3 -7.639 12.185 -4.432
27 HH TYR 3 HH TYR 3 -10.046 12.364 -1.950
28 H LYS 4 H LYS 4 -2.535 10.216 0.630
29 HA LYS 4 HA LYS 4 -0.416 8.647 -0.326
30 HB2 LYS 4 2HB LYS 4 0.949 9.962 0.969
31 HB3 LYS 4 1HB LYS 4 -0.482 10.979 0.958
32 HG2 LYS 4 2HG LYS 4 0.092 9.004 3.156
33 HG3 LYS 4 1HG LYS 4 0.665 10.668 3.181
34 HD2 LYS 4 2HD LYS 4 -2.211 9.775 3.045
35 HD3 LYS 4 1HD LYS 4 -1.400 10.472 4.443
36 HE2 LYS 4 2HE LYS 4 -2.251 11.781 1.891
37 HE3 LYS 4 1HE LYS 4 -2.550 12.278 3.557
38 HZ1 LYS 4 1HZ LYS 4 -0.169 12.681 1.896
39 HZ2 LYS 4 2HZ LYS 4 0.047 12.499 3.564
40 HZ3 LYS 4 3HZ LYS 4 -0.928 13.748 2.968
41 H LYS 5 H LYS 5 -2.633 8.334 2.261
42 HA LYS 5 HA LYS 5 -1.349 6.226 3.655
43 HB2 LYS 5 2HB LYS 5 -2.953 7.172 4.994
44 HB3 LYS 5 1HB LYS 5 -3.986 7.569 3.625
45 HG2 LYS 5 2HG LYS 5 -4.398 5.020 3.525
46 HG3 LYS 5 1HG LYS 5 -3.821 5.043 5.192
47 HD2 LYS 5 2HD LYS 5 -5.803 7.107 4.495
48 HD3 LYS 5 1HD LYS 5 -6.403 5.449 4.477
49 HE2 LYS 5 2HE LYS 5 -6.798 6.122 6.661
50 HE3 LYS 5 1HE LYS 5 -5.262 5.266 6.789
51 HZ1 LYS 5 1HZ LYS 5 -4.459 7.095 7.722
52 HZ2 LYS 5 2HZ LYS 5 -5.853 7.982 7.368
53 HZ3 LYS 5 3HZ LYS 5 -4.607 7.882 6.230
54 H PHE 6 H PHE 6 -3.679 6.542 1.093
55 HA PHE 6 HA PHE 6 -4.397 3.862 0.797
56 HB2 PHE 6 2HB PHE 6 -4.188 5.911 -1.412
57 HB3 PHE 6 1HB PHE 6 -5.127 4.426 -1.459
58 HD1 PHE 6 2HD PHE 6 -5.558 5.485 1.773
59 HD2 PHE 6 1HD PHE 6 -6.633 6.595 -2.195
60 HE1 PHE 6 2HE PHE 6 -7.496 6.708 2.645
61 HE2 PHE 6 1HE PHE 6 -8.579 7.817 -1.325
62 HZ PHE 6 HZ PHE 6 -9.008 7.876 1.097
63 H LYS 7 H LYS 7 -1.721 5.678 -0.523
64 HA LYS 7 HA LYS 7 -0.760 3.656 -2.219
65 HB2 LYS 7 2HB LYS 7 1.147 4.933 -2.509
66 HB3 LYS 7 1HB LYS 7 -0.037 6.146 -2.054
67 HG2 LYS 7 2HG LYS 7 1.595 6.806 -0.657
68 HG3 LYS 7 1HG LYS 7 0.944 5.524 0.364
69 HD2 LYS 7 2HD LYS 7 2.832 4.452 -1.518
70 HD3 LYS 7 1HD LYS 7 3.557 5.767 -0.591
71 HE2 LYS 7 2HE LYS 7 2.125 4.292 1.277
72 HE3 LYS 7 1HE LYS 7 2.866 3.082 0.231
73 HZ1 LYS 7 1HZ LYS 7 4.099 4.273 2.301
74 HZ2 LYS 7 2HZ LYS 7 4.634 5.230 1.014
75 HZ3 LYS 7 3HZ LYS 7 4.906 3.562 0.994
76 H LYS 8 H LYS 8 -0.465 4.255 1.201
77 HA LYS 8 HA LYS 8 1.604 2.503 1.843
78 HB2 LYS 8 2HB LYS 8 1.093 3.305 3.869
79 HB3 LYS 8 1HB LYS 8 -0.406 3.952 3.243
80 HG2 LYS 8 2HG LYS 8 -0.849 1.201 3.684
81 HG3 LYS 8 1HG LYS 8 0.008 1.815 5.088
82 HD2 LYS 8 2HD LYS 8 -1.786 3.778 4.773
83 HD3 LYS 8 1HD LYS 8 -2.699 2.442 4.077
84 HE2 LYS 8 2HE LYS 8 -1.811 1.250 6.308
85 HE3 LYS 8 1HE LYS 8 -1.852 2.920 6.873
86 HZ1 LYS 8 1HZ LYS 8 -4.054 1.165 6.108
87 HZ2 LYS 8 2HZ LYS 8 -4.212 2.802 5.718
88 HZ3 LYS 8 3HZ LYS 8 -3.978 2.334 7.328
89 H LYS 9 H LYS 9 -1.845 1.870 1.677
90 HA LYS 9 HA LYS 9 -1.505 -0.969 1.906
91 HB2 LYS 9 2HB LYS 9 -3.662 -0.835 2.492
92 HB3 LYS 9 1HB LYS 9 -3.672 0.868 2.085
93 HG2 LYS 9 2HG LYS 9 -5.164 0.437 0.510
94 HG3 LYS 9 1HG LYS 9 -3.964 -0.513 -0.357
95 HD2 LYS 9 2HD LYS 9 -5.872 -1.523 1.752
96 HD3 LYS 9 1HD LYS 9 -5.981 -1.816 0.017
97 HE2 LYS 9 2HE LYS 9 -4.969 -3.753 0.646
98 HE3 LYS 9 1HE LYS 9 -3.538 -2.757 0.398
99 HZ1 LYS 9 1HZ LYS 9 -4.023 -4.134 2.626
100 HZ2 LYS 9 2HZ LYS 9 -4.695 -2.644 3.055
101 HZ3 LYS 9 3HZ LYS 9 -3.071 -2.736 2.584
102 H LEU 10 H LEU 10 -1.518 1.343 -0.635
103 HA LEU 10 HA LEU 10 -1.994 -0.642 -2.678
104 HB2 LEU 10 2HB LEU 10 -2.670 1.840 -2.768
105 HB3 LEU 10 1HB LEU 10 -0.985 2.138 -3.163
106 HG LEU 10 HG LEU 10 -1.676 0.117 -4.892
107 HD11 LEU 10 1HD1 LEU 10 -4.045 1.801 -4.278
108 HD12 LEU 10 2HD1 LEU 10 -3.949 0.108 -4.763
109 HD13 LEU 10 3HD1 LEU 10 -3.745 1.382 -5.964
110 HD21 LEU 10 1HD2 LEU 10 -1.996 2.942 -5.770
111 HD22 LEU 10 2HD2 LEU 10 -1.093 1.619 -6.509
112 HD23 LEU 10 3HD2 LEU 10 -0.447 2.439 -5.091
113 H LEU 11 H LEU 11 0.586 0.194 -0.808
114 HA LEU 11 HA LEU 11 2.568 -0.289 -2.873
115 HB2 LEU 11 2HB LEU 11 4.149 0.604 -1.498
116 HB3 LEU 11 1HB LEU 11 2.739 1.400 -0.834
117 HG LEU 11 HG LEU 11 2.699 -0.596 0.840
118 HD11 LEU 11 1HD1 LEU 11 4.869 -1.382 -0.701
119 HD12 LEU 11 2HD1 LEU 11 4.403 -2.030 0.865
120 HD13 LEU 11 3HD1 LEU 11 5.589 -0.735 0.770
121 HD21 LEU 11 1HD2 LEU 11 3.108 1.315 1.952
122 HD22 LEU 11 2HD2 LEU 11 4.299 1.865 0.780
123 HD23 LEU 11 3HD2 LEU 11 4.756 0.696 2.015
124 H LYS 12 H LYS 12 1.307 -1.725 0.058
125 HA LYS 12 HA LYS 12 3.000 -3.986 0.060
126 HB2 LYS 12 2HB LYS 12 1.985 -4.236 2.042
127 HB3 LYS 12 1HB LYS 12 0.845 -2.975 1.623
128 HG2 LYS 12 2HG LYS 12 0.254 -5.681 0.580
129 HG3 LYS 12 1HG LYS 12 0.129 -5.447 2.319
130 HD2 LYS 12 2HD LYS 12 -1.744 -4.238 2.137
131 HD3 LYS 12 1HD LYS 12 -1.098 -3.289 0.799
132 HE2 LYS 12 2HE LYS 12 -2.663 -4.342 -0.412
133 HE3 LYS 12 1HE LYS 12 -1.515 -5.676 -0.422
134 HZ1 LYS 12 1HZ LYS 12 -4.042 -5.398 1.014
135 HZ2 LYS 12 2HZ LYS 12 -2.800 -6.214 1.819
136 HZ3 LYS 12 3HZ LYS 12 -3.340 -6.768 0.316
137 H SER 13 H SER 13 -0.314 -3.525 -1.072
138 HA SER 13 HA SER 13 -0.593 -6.030 -2.353
139 HB2 SER 13 2HB SER 13 -2.168 -3.654 -2.041
140 HB3 SER 13 1HB SER 13 -2.131 -4.081 -3.750
141 HG SER 13 HG SER 13 -3.769 -5.261 -2.972
142 H LEU 14 H LEU 14 0.252 -2.796 -3.536
143 HA LEU 14 HA LEU 14 0.476 -3.001 -6.167
144 HB2 LEU 14 2HB LEU 14 1.368 -1.042 -5.485
145 HB3 LEU 14 1HB LEU 14 2.152 -1.766 -4.096
146 HG LEU 14 HG LEU 14 3.431 -2.531 -6.594
147 HD11 LEU 14 1HD1 LEU 14 2.813 0.316 -6.119
148 HD12 LEU 14 2HD1 LEU 14 3.138 -0.541 -7.625
149 HD13 LEU 14 3HD1 LEU 14 4.472 -0.071 -6.574
150 HD21 LEU 14 1HD2 LEU 14 4.245 -1.335 -3.971
151 HD22 LEU 14 2HD2 LEU 14 5.390 -1.512 -5.301
152 HD23 LEU 14 3HD2 LEU 14 4.604 -2.932 -4.618
153 H LYS 15 H LYS 15 3.104 -4.156 -4.055
154 HA LYS 15 HA LYS 15 4.152 -5.692 -6.279
155 HB2 LYS 15 2HB LYS 15 5.731 -4.418 -4.939
156 HB3 LYS 15 1HB LYS 15 5.241 -5.295 -3.495
157 HG2 LYS 15 2HG LYS 15 6.878 -6.735 -3.922
158 HG3 LYS 15 1HG LYS 15 5.944 -7.277 -5.320
159 HD2 LYS 15 2HD LYS 15 7.117 -5.047 -6.318
160 HD3 LYS 15 1HD LYS 15 8.357 -5.600 -5.190
161 HE2 LYS 15 2HE LYS 15 7.152 -7.094 -7.508
162 HE3 LYS 15 1HE LYS 15 8.831 -6.600 -7.293
163 HZ1 LYS 15 1HZ LYS 15 8.300 -9.010 -6.853
164 HZ2 LYS 15 2HZ LYS 15 7.496 -8.499 -5.456
165 HZ3 LYS 15 3HZ LYS 15 9.150 -8.204 -5.631
166 H ARG 16 H ARG 16 4.097 -6.670 -2.862
167 HA ARG 16 HA ARG 16 3.339 -9.329 -3.767
168 HB2 ARG 16 2HB ARG 16 5.251 -8.481 -1.998
169 HB3 ARG 16 1HB ARG 16 3.970 -9.026 -0.925
170 HG2 ARG 16 2HG ARG 16 5.287 -10.639 -3.097
171 HG3 ARG 16 1HG ARG 16 5.537 -10.811 -1.355
172 HD2 ARG 16 2HD ARG 16 2.765 -10.994 -2.413
173 HD3 ARG 16 1HD ARG 16 3.853 -12.357 -2.679
174 HE ARG 16 HE ARG 16 2.767 -11.447 -0.142
175 HH11 ARG 16 1HH1 ARG 16 5.034 -13.530 -1.817
176 HH12 ARG 16 2HH1 ARG 16 5.332 -14.529 -0.434
177 HH21 ARG 16 1HH2 ARG 16 3.190 -12.760 1.689
178 HH22 ARG 16 2HH2 ARG 16 4.290 -14.090 1.552
179 H LEU 17 H LEU 17 2.666 -7.824 -0.704
180 HA LEU 17 HA LEU 17 0.134 -7.140 -0.575
181 HB2 LEU 17 2HB LEU 17 -1.128 -8.829 -1.334
182 HB3 LEU 17 1HB LEU 17 0.191 -9.974 -1.233
183 HG LEU 17 HG LEU 17 -0.303 -10.196 1.232
184 HD11 LEU 17 1HD1 LEU 17 -1.776 -8.873 2.225
185 HD12 LEU 17 2HD1 LEU 17 -3.038 -9.399 1.111
186 HD13 LEU 17 3HD1 LEU 17 -2.017 -8.022 0.700
187 HD21 LEU 17 1HD2 LEU 17 -1.147 -11.672 -0.716
188 HD22 LEU 17 2HD2 LEU 17 -2.714 -10.941 -0.368
189 HD23 LEU 17 3HD2 LEU 17 -1.872 -11.858 0.881
190 H GLY 18 H GLY 18 2.736 -8.898 0.754
191 HA2 GLY 18 2HA GLY 18 2.340 -7.723 3.347
192 HA3 GLY 18 1HA GLY 18 2.100 -9.465 3.338
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 -6.576 15.799 1.637
2 H2 ALA 1 2HT ALA 1 -6.805 14.428 0.631
3 H3 ALA 1 3HT ALA 1 -5.944 15.792 0.044
4 HA ALA 1 HA ALA 1 -4.300 14.342 0.535
5 HB1 ALA 1 1HB ALA 1 -4.487 16.660 1.926
6 HB2 ALA 1 2HB ALA 1 -3.075 15.604 1.933
7 HB3 ALA 1 3HB ALA 1 -4.263 15.499 3.234
8 H LEU 2 H LEU 2 -4.744 12.211 0.697
9 HA LEU 2 HA LEU 2 -4.613 10.960 3.212
10 HB2 LEU 2 2HB LEU 2 -6.976 11.742 3.289
11 HB3 LEU 2 1HB LEU 2 -7.304 10.760 1.873
12 HG LEU 2 HG LEU 2 -6.333 8.835 3.424
13 HD11 LEU 2 1HD1 LEU 2 -7.123 9.189 5.752
14 HD12 LEU 2 2HD1 LEU 2 -7.401 10.886 5.360
15 HD13 LEU 2 3HD1 LEU 2 -5.768 10.225 5.305
16 HD21 LEU 2 1HD2 LEU 2 -9.100 9.644 4.125
17 HD22 LEU 2 2HD2 LEU 2 -8.478 8.088 3.574
18 HD23 LEU 2 3HD2 LEU 2 -8.733 9.395 2.418
19 H TYR 3 H TYR 3 -5.435 10.767 -0.162
20 HA TYR 3 HA TYR 3 -5.388 8.061 -0.608
21 HB2 TYR 3 2HB TYR 3 -4.114 10.105 -2.435
22 HB3 TYR 3 1HB TYR 3 -4.796 8.547 -2.899
23 HD1 TYR 3 2HD TYR 3 -7.142 9.130 -0.757
24 HD2 TYR 3 1HD TYR 3 -5.608 11.099 -4.198
25 HE1 TYR 3 2HE TYR 3 -9.317 10.176 -1.106
26 HE2 TYR 3 1HE TYR 3 -7.790 12.167 -4.560
27 HH TYR 3 HH TYR 3 -10.617 11.207 -2.864
28 H LYS 4 H LYS 4 -2.767 10.166 0.146
29 HA LYS 4 HA LYS 4 -0.616 8.592 -0.674
30 HB2 LYS 4 2HB LYS 4 0.718 9.845 0.904
31 HB3 LYS 4 1HB LYS 4 -0.448 10.934 0.162
32 HG2 LYS 4 2HG LYS 4 -1.218 9.653 2.722
33 HG3 LYS 4 1HG LYS 4 0.012 10.913 2.769
34 HD2 LYS 4 2HD LYS 4 -1.582 12.348 1.435
35 HD3 LYS 4 1HD LYS 4 -2.809 11.120 1.741
36 HE2 LYS 4 2HE LYS 4 -3.260 12.343 3.565
37 HE3 LYS 4 1HE LYS 4 -1.852 11.528 4.243
38 HZ1 LYS 4 1HZ LYS 4 -1.640 14.091 2.775
39 HZ2 LYS 4 2HZ LYS 4 -0.497 13.373 3.792
40 HZ3 LYS 4 3HZ LYS 4 -1.915 14.027 4.444
41 H LYS 5 H LYS 5 -2.693 8.475 2.068
42 HA LYS 5 HA LYS 5 -1.348 6.486 3.531
43 HB2 LYS 5 2HB LYS 5 -3.084 7.556 4.703
44 HB3 LYS 5 1HB LYS 5 -4.185 7.441 3.333
45 HG2 LYS 5 2HG LYS 5 -4.082 4.921 3.717
46 HG3 LYS 5 1HG LYS 5 -3.417 5.334 5.298
47 HD2 LYS 5 2HD LYS 5 -5.888 6.719 4.391
48 HD3 LYS 5 1HD LYS 5 -6.022 5.043 4.929
49 HE2 LYS 5 2HE LYS 5 -6.427 6.630 6.759
50 HE3 LYS 5 1HE LYS 5 -5.012 5.622 7.059
51 HZ1 LYS 5 1HZ LYS 5 -4.889 8.163 7.463
52 HZ2 LYS 5 2HZ LYS 5 -4.676 8.254 5.787
53 HZ3 LYS 5 3HZ LYS 5 -3.582 7.375 6.730
54 H PHE 6 H PHE 6 -3.856 6.473 1.100
55 HA PHE 6 HA PHE 6 -4.294 3.743 0.920
56 HB2 PHE 6 2HB PHE 6 -4.371 5.654 -1.417
57 HB3 PHE 6 1HB PHE 6 -5.222 4.123 -1.285
58 HD1 PHE 6 2HD PHE 6 -5.532 5.427 1.876
59 HD2 PHE 6 1HD PHE 6 -6.867 6.138 -2.104
60 HE1 PHE 6 2HE PHE 6 -7.489 6.625 2.748
61 HE2 PHE 6 1HE PHE 6 -8.828 7.337 -1.235
62 HZ PHE 6 HZ PHE 6 -9.135 7.585 1.191
63 H LYS 7 H LYS 7 -1.637 5.635 -0.218
64 HA LYS 7 HA LYS 7 -0.707 3.685 -2.072
65 HB2 LYS 7 2HB LYS 7 1.081 5.052 -2.493
66 HB3 LYS 7 1HB LYS 7 -0.077 6.222 -1.890
67 HG2 LYS 7 2HG LYS 7 1.807 6.846 -0.759
68 HG3 LYS 7 1HG LYS 7 1.081 5.737 0.400
69 HD2 LYS 7 2HD LYS 7 2.715 4.241 -1.389
70 HD3 LYS 7 1HD LYS 7 3.647 5.608 -0.773
71 HE2 LYS 7 2HE LYS 7 2.143 4.461 1.366
72 HE3 LYS 7 1HE LYS 7 3.023 3.180 0.532
73 HZ1 LYS 7 1HZ LYS 7 4.081 4.716 2.442
74 HZ2 LYS 7 2HZ LYS 7 4.549 5.587 1.069
75 HZ3 LYS 7 3HZ LYS 7 4.996 3.964 1.232
76 H LYS 8 H LYS 8 -0.375 4.241 1.349
77 HA LYS 8 HA LYS 8 1.790 2.501 1.834
78 HB2 LYS 8 2HB LYS 8 1.205 2.562 4.104
79 HB3 LYS 8 1HB LYS 8 0.619 4.093 3.477
80 HG2 LYS 8 2HG LYS 8 -1.068 3.312 4.902
81 HG3 LYS 8 1HG LYS 8 -1.652 2.992 3.275
82 HD2 LYS 8 2HD LYS 8 -1.913 0.863 3.755
83 HD3 LYS 8 1HD LYS 8 -0.197 0.717 4.158
84 HE2 LYS 8 2HE LYS 8 -1.395 0.020 6.079
85 HE3 LYS 8 1HE LYS 8 -0.781 1.632 6.439
86 HZ1 LYS 8 1HZ LYS 8 -3.196 1.103 7.018
87 HZ2 LYS 8 2HZ LYS 8 -3.504 1.241 5.362
88 HZ3 LYS 8 3HZ LYS 8 -2.883 2.562 6.220
89 H LYS 9 H LYS 9 -1.647 1.956 1.620
90 HA LYS 9 HA LYS 9 -1.441 -0.890 1.993
91 HB2 LYS 9 2HB LYS 9 -3.543 1.079 1.852
92 HB3 LYS 9 1HB LYS 9 -3.915 -0.257 0.776
93 HG2 LYS 9 2HG LYS 9 -3.171 -0.628 3.664
94 HG3 LYS 9 1HG LYS 9 -4.833 -0.434 3.104
95 HD2 LYS 9 2HD LYS 9 -2.903 -2.650 2.481
96 HD3 LYS 9 1HD LYS 9 -4.456 -2.763 3.304
97 HE2 LYS 9 2HE LYS 9 -5.229 -1.711 0.937
98 HE3 LYS 9 1HE LYS 9 -3.830 -2.652 0.422
99 HZ1 LYS 9 1HZ LYS 9 -5.012 -4.504 0.584
100 HZ2 LYS 9 2HZ LYS 9 -6.386 -3.581 0.924
101 HZ3 LYS 9 3HZ LYS 9 -5.435 -4.173 2.189
102 H LEU 10 H LEU 10 -1.484 1.340 -0.646
103 HA LEU 10 HA LEU 10 -1.929 -0.671 -2.650
104 HB2 LEU 10 2HB LEU 10 -2.432 1.881 -2.743
105 HB3 LEU 10 1HB LEU 10 -0.738 2.029 -3.177
106 HG LEU 10 HG LEU 10 -1.504 0.133 -4.925
107 HD11 LEU 10 1HD1 LEU 10 -3.938 1.694 -4.190
108 HD12 LEU 10 2HD1 LEU 10 -3.773 -0.017 -4.588
109 HD13 LEU 10 3HD1 LEU 10 -3.701 1.196 -5.866
110 HD21 LEU 10 1HD2 LEU 10 -2.091 2.927 -5.729
111 HD22 LEU 10 2HD2 LEU 10 -1.090 1.705 -6.514
112 HD23 LEU 10 3HD2 LEU 10 -0.477 2.576 -5.109
113 H LEU 11 H LEU 11 0.719 0.528 -0.884
114 HA LEU 11 HA LEU 11 2.732 -0.178 -2.790
115 HB2 LEU 11 2HB LEU 11 4.226 0.785 -1.396
116 HB3 LEU 11 1HB LEU 11 2.792 1.467 -0.667
117 HG LEU 11 HG LEU 11 2.876 -0.610 0.895
118 HD11 LEU 11 1HD1 LEU 11 5.545 -0.963 1.159
119 HD12 LEU 11 2HD1 LEU 11 5.409 -0.799 -0.594
120 HD13 LEU 11 3HD1 LEU 11 4.490 -2.048 0.249
121 HD21 LEU 11 1HD2 LEU 11 3.232 1.273 2.091
122 HD22 LEU 11 2HD2 LEU 11 4.434 1.897 0.961
123 HD23 LEU 11 3HD2 LEU 11 4.885 0.661 2.134
124 H LYS 12 H LYS 12 1.390 -1.641 0.108
125 HA LYS 12 HA LYS 12 3.111 -3.867 0.156
126 HB2 LYS 12 2HB LYS 12 1.933 -4.322 2.009
127 HB3 LYS 12 1HB LYS 12 0.915 -2.946 1.641
128 HG2 LYS 12 2HG LYS 12 0.035 -5.277 0.183
129 HG3 LYS 12 1HG LYS 12 0.152 -5.607 1.898
130 HD2 LYS 12 2HD LYS 12 -1.123 -3.399 2.199
131 HD3 LYS 12 1HD LYS 12 -1.524 -3.581 0.490
132 HE2 LYS 12 2HE LYS 12 -1.977 -5.799 2.458
133 HE3 LYS 12 1HE LYS 12 -3.173 -4.530 2.206
134 HZ1 LYS 12 1HZ LYS 12 -3.202 -5.115 -0.158
135 HZ2 LYS 12 2HZ LYS 12 -3.671 -6.412 0.822
136 HZ3 LYS 12 3HZ LYS 12 -2.123 -6.381 0.141
137 H SER 13 H SER 13 -0.164 -3.550 -1.133
138 HA SER 13 HA SER 13 -0.205 -6.020 -2.513
139 HB2 SER 13 2HB SER 13 -1.797 -3.634 -3.402
140 HB3 SER 13 1HB SER 13 -2.269 -5.334 -3.373
141 HG SER 13 HG SER 13 -2.669 -3.468 -1.507
142 H LEU 14 H LEU 14 0.630 -2.704 -3.454
143 HA LEU 14 HA LEU 14 0.819 -2.778 -6.136
144 HB2 LEU 14 2HB LEU 14 1.643 -0.812 -5.246
145 HB3 LEU 14 1HB LEU 14 2.642 -1.641 -4.068
146 HG LEU 14 HG LEU 14 3.596 -2.210 -6.713
147 HD11 LEU 14 1HD1 LEU 14 2.738 0.553 -6.230
148 HD12 LEU 14 2HD1 LEU 14 3.074 -0.287 -7.745
149 HD13 LEU 14 3HD1 LEU 14 4.400 0.378 -6.791
150 HD21 LEU 14 1HD2 LEU 14 4.791 -2.288 -4.480
151 HD22 LEU 14 2HD2 LEU 14 4.909 -0.532 -4.590
152 HD23 LEU 14 3HD2 LEU 14 5.678 -1.545 -5.812
153 H LYS 15 H LYS 15 3.515 -3.838 -4.076
154 HA LYS 15 HA LYS 15 4.504 -5.431 -6.291
155 HB2 LYS 15 2HB LYS 15 5.964 -3.929 -4.834
156 HB3 LYS 15 1HB LYS 15 5.812 -5.167 -3.597
157 HG2 LYS 15 2HG LYS 15 6.712 -5.924 -6.336
158 HG3 LYS 15 1HG LYS 15 7.846 -5.171 -5.213
159 HD2 LYS 15 2HD LYS 15 8.197 -7.207 -4.370
160 HD3 LYS 15 1HD LYS 15 6.566 -7.122 -3.702
161 HE2 LYS 15 2HE LYS 15 5.699 -8.506 -5.280
162 HE3 LYS 15 1HE LYS 15 6.805 -7.947 -6.534
163 HZ1 LYS 15 1HZ LYS 15 7.003 -10.323 -5.388
164 HZ2 LYS 15 2HZ LYS 15 7.989 -9.440 -4.335
165 HZ3 LYS 15 3HZ LYS 15 8.344 -9.483 -5.987
166 H ARG 16 H ARG 16 4.607 -6.297 -2.818
167 HA ARG 16 HA ARG 16 3.780 -8.977 -3.615
168 HB2 ARG 16 2HB ARG 16 5.809 -9.012 -2.427
169 HB3 ARG 16 1HB ARG 16 5.190 -7.940 -1.180
170 HG2 ARG 16 2HG ARG 16 5.389 -10.250 -0.403
171 HG3 ARG 16 1HG ARG 16 3.717 -9.688 -0.372
172 HD2 ARG 16 2HD ARG 16 3.873 -10.765 -2.861
173 HD3 ARG 16 1HD ARG 16 4.972 -11.810 -1.962
174 HE ARG 16 HE ARG 16 2.547 -11.462 -0.542
175 HH11 ARG 16 1HH1 ARG 16 3.883 -13.112 -3.316
176 HH12 ARG 16 2HH1 ARG 16 2.748 -14.419 -3.241
177 HH21 ARG 16 1HH2 ARG 16 1.058 -13.187 -0.441
178 HH22 ARG 16 2HH2 ARG 16 1.146 -14.462 -1.611
179 H LEU 17 H LEU 17 3.376 -7.450 -0.529
180 HA LEU 17 HA LEU 17 0.819 -6.760 -0.260
181 HB2 LEU 17 2HB LEU 17 -0.477 -8.517 -0.735
182 HB3 LEU 17 1HB LEU 17 0.906 -9.584 -0.841
183 HG LEU 17 HG LEU 17 0.806 -9.822 1.667
184 HD11 LEU 17 1HD1 LEU 17 -0.957 -7.706 1.510
185 HD12 LEU 17 2HD1 LEU 17 -0.688 -8.736 2.914
186 HD13 LEU 17 3HD1 LEU 17 -2.005 -9.094 1.798
187 HD21 LEU 17 1HD2 LEU 17 0.003 -11.605 0.325
188 HD22 LEU 17 2HD2 LEU 17 -1.482 -10.733 -0.064
189 HD23 LEU 17 3HD2 LEU 17 -1.209 -11.324 1.576
190 H GLY 18 H GLY 18 3.549 -8.409 1.009
191 HA2 GLY 18 2HA GLY 18 3.335 -7.032 3.508
192 HA3 GLY 18 1HA GLY 18 3.025 -8.753 3.675
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 -6.211 14.234 0.236
2 H2 ALA 1 2HT ALA 1 -5.381 15.628 -0.321
3 H3 ALA 1 3HT ALA 1 -6.306 15.697 1.122
4 HA ALA 1 HA ALA 1 -3.724 14.451 0.607
5 HB1 ALA 1 1HB ALA 1 -4.207 16.794 1.633
6 HB2 ALA 1 2HB ALA 1 -2.979 15.755 2.355
7 HB3 ALA 1 3HB ALA 1 -4.579 15.872 3.089
8 H LEU 2 H LEU 2 -4.393 12.262 0.649
9 HA LEU 2 HA LEU 2 -4.274 11.051 3.168
10 HB2 LEU 2 2HB LEU 2 -6.606 11.928 3.285
11 HB3 LEU 2 1HB LEU 2 -7.009 10.896 1.924
12 HG LEU 2 HG LEU 2 -6.000 9.030 3.542
13 HD11 LEU 2 1HD1 LEU 2 -7.201 9.812 5.822
14 HD12 LEU 2 2HD1 LEU 2 -6.560 11.356 5.257
15 HD13 LEU 2 3HD1 LEU 2 -5.472 9.990 5.510
16 HD21 LEU 2 1HD2 LEU 2 -8.772 9.922 4.165
17 HD22 LEU 2 2HD2 LEU 2 -8.157 8.305 3.823
18 HD23 LEU 2 3HD2 LEU 2 -8.376 9.460 2.509
19 H TYR 3 H TYR 3 -5.178 10.796 -0.188
20 HA TYR 3 HA TYR 3 -5.255 8.080 -0.534
21 HB2 TYR 3 2HB TYR 3 -3.937 10.029 -2.433
22 HB3 TYR 3 1HB TYR 3 -4.578 8.443 -2.850
23 HD1 TYR 3 2HD TYR 3 -6.943 9.234 -0.690
24 HD2 TYR 3 1HD TYR 3 -5.445 10.753 -4.366
25 HE1 TYR 3 2HE TYR 3 -9.128 10.226 -1.156
26 HE2 TYR 3 1HE TYR 3 -7.633 11.762 -4.844
27 HH TYR 3 HH TYR 3 -10.086 12.040 -2.500
28 H LYS 4 H LYS 4 -2.513 10.089 0.100
29 HA LYS 4 HA LYS 4 -0.452 8.399 -0.667
30 HB2 LYS 4 2HB LYS 4 0.949 9.757 0.567
31 HB3 LYS 4 1HB LYS 4 -0.445 10.813 0.401
32 HG2 LYS 4 2HG LYS 4 0.084 9.073 2.805
33 HG3 LYS 4 1HG LYS 4 0.538 10.773 2.679
34 HD2 LYS 4 2HD LYS 4 -2.245 10.308 1.983
35 HD3 LYS 4 1HD LYS 4 -1.867 9.783 3.622
36 HE2 LYS 4 2HE LYS 4 -2.646 12.186 3.298
37 HE3 LYS 4 1HE LYS 4 -1.200 11.926 4.273
38 HZ1 LYS 4 1HZ LYS 4 0.173 12.683 2.559
39 HZ2 LYS 4 2HZ LYS 4 -1.126 13.765 2.542
40 HZ3 LYS 4 3HZ LYS 4 -1.035 12.539 1.382
41 H LYS 5 H LYS 5 -2.507 8.418 2.107
42 HA LYS 5 HA LYS 5 -1.282 6.380 3.580
43 HB2 LYS 5 2HB LYS 5 -2.913 7.470 4.805
44 HB3 LYS 5 1HB LYS 5 -3.994 7.604 3.423
45 HG2 LYS 5 2HG LYS 5 -4.270 5.081 3.637
46 HG3 LYS 5 1HG LYS 5 -3.561 5.275 5.241
47 HD2 LYS 5 2HD LYS 5 -5.778 7.093 4.457
48 HD3 LYS 5 1HD LYS 5 -6.185 5.417 4.837
49 HE2 LYS 5 2HE LYS 5 -6.347 6.951 6.782
50 HE3 LYS 5 1HE LYS 5 -5.218 5.619 7.025
51 HZ1 LYS 5 1HZ LYS 5 -4.297 8.256 6.062
52 HZ2 LYS 5 2HZ LYS 5 -3.397 7.029 6.800
53 HZ3 LYS 5 3HZ LYS 5 -4.487 7.944 7.714
54 H PHE 6 H PHE 6 -3.853 6.414 1.186
55 HA PHE 6 HA PHE 6 -4.346 3.688 1.046
56 HB2 PHE 6 2HB PHE 6 -4.342 5.513 -1.363
57 HB3 PHE 6 1HB PHE 6 -5.254 4.025 -1.165
58 HD1 PHE 6 2HD PHE 6 -5.664 5.284 1.924
59 HD2 PHE 6 1HD PHE 6 -6.667 6.259 -2.096
60 HE1 PHE 6 2HE PHE 6 -7.592 6.595 2.721
61 HE2 PHE 6 1HE PHE 6 -8.594 7.567 -1.304
62 HZ PHE 6 HZ PHE 6 -9.046 7.742 1.098
63 H LYS 7 H LYS 7 -1.579 5.441 0.030
64 HA LYS 7 HA LYS 7 -0.638 3.500 -1.837
65 HB2 LYS 7 2HB LYS 7 0.784 5.121 -2.350
66 HB3 LYS 7 1HB LYS 7 0.110 6.099 -1.062
67 HG2 LYS 7 2HG LYS 7 1.927 4.373 0.186
68 HG3 LYS 7 1HG LYS 7 2.716 4.906 -1.295
69 HD2 LYS 7 2HD LYS 7 3.215 6.828 -0.298
70 HD3 LYS 7 1HD LYS 7 1.491 7.179 -0.154
71 HE2 LYS 7 2HE LYS 7 1.498 6.777 2.047
72 HE3 LYS 7 1HE LYS 7 2.407 5.282 1.850
73 HZ1 LYS 7 1HZ LYS 7 3.344 7.948 2.497
74 HZ2 LYS 7 2HZ LYS 7 4.303 7.101 1.391
75 HZ3 LYS 7 3HZ LYS 7 3.989 6.440 2.916
76 H LYS 8 H LYS 8 -0.280 4.130 1.595
77 HA LYS 8 HA LYS 8 1.791 2.359 2.147
78 HB2 LYS 8 2HB LYS 8 1.081 2.374 4.409
79 HB3 LYS 8 1HB LYS 8 0.624 3.943 3.769
80 HG2 LYS 8 2HG LYS 8 -1.208 3.278 5.043
81 HG3 LYS 8 1HG LYS 8 -1.681 2.933 3.385
82 HD2 LYS 8 2HD LYS 8 -2.076 0.828 3.915
83 HD3 LYS 8 1HD LYS 8 -0.394 0.626 4.415
84 HE2 LYS 8 2HE LYS 8 -1.717 0.030 6.282
85 HE3 LYS 8 1HE LYS 8 -1.059 1.628 6.634
86 HZ1 LYS 8 1HZ LYS 8 -3.704 1.411 5.369
87 HZ2 LYS 8 2HZ LYS 8 -3.094 2.621 6.384
88 HZ3 LYS 8 3HZ LYS 8 -3.560 1.128 7.033
89 H LYS 9 H LYS 9 -1.620 1.863 1.736
90 HA LYS 9 HA LYS 9 -1.453 -0.995 2.128
91 HB2 LYS 9 2HB LYS 9 -3.501 0.967 2.194
92 HB3 LYS 9 1HB LYS 9 -3.935 -0.181 0.935
93 HG2 LYS 9 2HG LYS 9 -3.225 -0.948 3.757
94 HG3 LYS 9 1HG LYS 9 -4.873 -0.712 3.166
95 HD2 LYS 9 2HD LYS 9 -2.884 -2.711 2.105
96 HD3 LYS 9 1HD LYS 9 -4.246 -3.078 3.165
97 HE2 LYS 9 2HE LYS 9 -5.672 -1.965 1.310
98 HE3 LYS 9 1HE LYS 9 -4.258 -2.228 0.290
99 HZ1 LYS 9 1HZ LYS 9 -4.685 -4.399 0.148
100 HZ2 LYS 9 2HZ LYS 9 -6.230 -4.029 0.731
101 HZ3 LYS 9 3HZ LYS 9 -5.028 -4.553 1.799
102 H LEU 10 H LEU 10 -1.751 1.251 -0.535
103 HA LEU 10 HA LEU 10 -2.138 -0.779 -2.520
104 HB2 LEU 10 2HB LEU 10 -2.782 1.681 -2.699
105 HB3 LEU 10 1HB LEU 10 -1.081 2.003 -2.975
106 HG LEU 10 HG LEU 10 -1.506 0.100 -4.841
107 HD11 LEU 10 1HD1 LEU 10 -4.114 1.553 -4.448
108 HD12 LEU 10 2HD1 LEU 10 -3.831 -0.187 -4.519
109 HD13 LEU 10 3HD1 LEU 10 -3.661 0.792 -5.975
110 HD21 LEU 10 1HD2 LEU 10 -2.183 2.974 -5.392
111 HD22 LEU 10 2HD2 LEU 10 -1.341 1.821 -6.426
112 HD23 LEU 10 3HD2 LEU 10 -0.543 2.464 -4.991
113 H LEU 11 H LEU 11 0.475 0.301 -0.741
114 HA LEU 11 HA LEU 11 2.537 -0.247 -2.651
115 HB2 LEU 11 2HB LEU 11 2.400 0.575 0.206
116 HB3 LEU 11 1HB LEU 11 3.879 -0.189 -0.345
117 HG LEU 11 HG LEU 11 2.713 2.450 -1.169
118 HD11 LEU 11 1HD1 LEU 11 5.294 1.490 0.017
119 HD12 LEU 11 2HD1 LEU 11 4.139 2.648 0.676
120 HD13 LEU 11 3HD1 LEU 11 5.133 3.088 -0.714
121 HD21 LEU 11 1HD2 LEU 11 4.651 0.722 -2.671
122 HD22 LEU 11 2HD2 LEU 11 4.699 2.481 -2.798
123 HD23 LEU 11 3HD2 LEU 11 3.247 1.600 -3.278
124 H LYS 12 H LYS 12 1.475 -1.709 0.373
125 HA LYS 12 HA LYS 12 3.112 -3.932 0.372
126 HB2 LYS 12 2HB LYS 12 1.951 -4.155 2.277
127 HB3 LYS 12 1HB LYS 12 0.705 -3.071 1.689
128 HG2 LYS 12 2HG LYS 12 0.722 -5.939 0.880
129 HG3 LYS 12 1HG LYS 12 0.074 -5.456 2.440
130 HD2 LYS 12 2HD LYS 12 -1.106 -3.675 0.728
131 HD3 LYS 12 1HD LYS 12 -1.036 -5.138 -0.247
132 HE2 LYS 12 2HE LYS 12 -1.915 -5.744 2.428
133 HE3 LYS 12 1HE LYS 12 -2.924 -4.498 1.700
134 HZ1 LYS 12 1HZ LYS 12 -3.842 -6.608 1.158
135 HZ2 LYS 12 2HZ LYS 12 -2.358 -7.183 0.592
136 HZ3 LYS 12 3HZ LYS 12 -3.167 -5.969 -0.255
137 H SER 13 H SER 13 -0.073 -3.587 -1.097
138 HA SER 13 HA SER 13 -0.097 -6.156 -2.356
139 HB2 SER 13 2HB SER 13 -1.967 -4.143 -1.856
140 HB3 SER 13 1HB SER 13 -1.794 -4.143 -3.612
141 HG SER 13 HG SER 13 -2.722 -6.045 -3.703
142 H LEU 14 H LEU 14 0.624 -2.846 -3.361
143 HA LEU 14 HA LEU 14 0.838 -2.952 -6.035
144 HB2 LEU 14 2HB LEU 14 1.692 -0.968 -5.439
145 HB3 LEU 14 1HB LEU 14 2.211 -1.590 -3.889
146 HG LEU 14 HG LEU 14 3.968 -2.465 -6.021
147 HD11 LEU 14 1HD1 LEU 14 3.065 0.278 -6.110
148 HD12 LEU 14 2HD1 LEU 14 4.120 -0.597 -7.221
149 HD13 LEU 14 3HD1 LEU 14 4.797 0.178 -5.790
150 HD21 LEU 14 1HD2 LEU 14 4.195 -1.074 -3.377
151 HD22 LEU 14 2HD2 LEU 14 5.600 -1.275 -4.427
152 HD23 LEU 14 3HD2 LEU 14 4.734 -2.690 -3.831
153 H LYS 15 H LYS 15 3.410 -4.056 -3.840
154 HA LYS 15 HA LYS 15 4.629 -5.507 -6.041
155 HB2 LYS 15 2HB LYS 15 5.941 -4.084 -4.401
156 HB3 LYS 15 1HB LYS 15 5.655 -5.350 -3.217
157 HG2 LYS 15 2HG LYS 15 6.791 -6.147 -5.838
158 HG3 LYS 15 1HG LYS 15 7.835 -5.278 -4.710
159 HD2 LYS 15 2HD LYS 15 8.216 -7.222 -3.694
160 HD3 LYS 15 1HD LYS 15 6.534 -7.201 -3.161
161 HE2 LYS 15 2HE LYS 15 6.780 -9.270 -4.222
162 HE3 LYS 15 1HE LYS 15 5.993 -8.253 -5.428
163 HZ1 LYS 15 1HZ LYS 15 7.686 -9.350 -6.569
164 HZ2 LYS 15 2HZ LYS 15 8.813 -9.131 -5.328
165 HZ3 LYS 15 3HZ LYS 15 8.332 -7.814 -6.274
166 H ARG 16 H ARG 16 4.448 -6.569 -2.630
167 HA ARG 16 HA ARG 16 3.708 -9.202 -3.648
168 HB2 ARG 16 2HB ARG 16 5.667 -9.194 -2.257
169 HB3 ARG 16 1HB ARG 16 4.810 -8.359 -0.974
170 HG2 ARG 16 2HG ARG 16 5.174 -10.815 -0.621
171 HG3 ARG 16 1HG ARG 16 3.504 -10.269 -0.475
172 HD2 ARG 16 2HD ARG 16 3.949 -10.964 -3.188
173 HD3 ARG 16 1HD ARG 16 4.589 -12.267 -2.190
174 HE ARG 16 HE ARG 16 1.957 -11.357 -1.447
175 HH11 ARG 16 1HH1 ARG 16 3.772 -13.573 -3.450
176 HH12 ARG 16 2HH1 ARG 16 2.482 -14.725 -3.552
177 HH21 ARG 16 1HH2 ARG 16 0.280 -12.863 -1.566
178 HH22 ARG 16 2HH2 ARG 16 0.492 -14.321 -2.478
179 H LEU 17 H LEU 17 3.051 -7.862 -0.523
180 HA LEU 17 HA LEU 17 0.503 -7.151 -0.385
181 HB2 LEU 17 2HB LEU 17 -0.829 -8.813 -1.015
182 HB3 LEU 17 1HB LEU 17 0.535 -9.879 -1.245
183 HG LEU 17 HG LEU 17 0.396 -10.416 1.232
184 HD11 LEU 17 1HD1 LEU 17 -1.174 -9.550 2.557
185 HD12 LEU 17 2HD1 LEU 17 -2.428 -9.696 1.324
186 HD13 LEU 17 3HD1 LEU 17 -1.339 -8.310 1.317
187 HD21 LEU 17 1HD2 LEU 17 -0.479 -12.244 0.330
188 HD22 LEU 17 2HD2 LEU 17 -1.216 -11.315 -0.977
189 HD23 LEU 17 3HD2 LEU 17 -2.074 -11.520 0.551
190 H GLY 18 H GLY 18 3.109 -8.966 0.932
191 HA2 GLY 18 2HA GLY 18 2.645 -7.827 3.546
192 HA3 GLY 18 1HA GLY 18 2.517 -9.579 3.491
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 -6.557 15.585 2.282
2 H2 ALA 1 2HT ALA 1 -5.314 16.675 1.822
3 H3 ALA 1 3HT ALA 1 -5.321 15.994 3.397
4 HA ALA 1 HA ALA 1 -4.988 14.525 0.871
5 HB1 ALA 1 1HB ALA 1 -3.130 16.114 1.935
6 HB2 ALA 1 2HB ALA 1 -2.738 14.579 1.155
7 HB3 ALA 1 3HB ALA 1 -2.850 14.673 2.914
8 H LEU 2 H LEU 2 -4.532 12.302 1.137
9 HA LEU 2 HA LEU 2 -4.430 10.939 3.572
10 HB2 LEU 2 2HB LEU 2 -6.783 9.843 3.261
11 HB3 LEU 2 1HB LEU 2 -6.612 11.341 4.156
12 HG LEU 2 HG LEU 2 -7.108 11.695 1.278
13 HD11 LEU 2 1HD1 LEU 2 -8.499 9.752 1.617
14 HD12 LEU 2 2HD1 LEU 2 -9.509 11.191 1.474
15 HD13 LEU 2 3HD1 LEU 2 -9.211 10.476 3.059
16 HD21 LEU 2 1HD2 LEU 2 -7.629 13.025 3.816
17 HD22 LEU 2 2HD2 LEU 2 -9.016 13.055 2.724
18 HD23 LEU 2 3HD2 LEU 2 -7.461 13.699 2.195
19 H TYR 3 H TYR 3 -5.397 10.903 0.224
20 HA TYR 3 HA TYR 3 -5.392 8.209 -0.300
21 HB2 TYR 3 2HB TYR 3 -4.291 10.363 -2.115
22 HB3 TYR 3 1HB TYR 3 -4.848 8.770 -2.622
23 HD1 TYR 3 2HD TYR 3 -7.139 9.246 -0.295
24 HD2 TYR 3 1HD TYR 3 -5.945 11.115 -3.919
25 HE1 TYR 3 2HE TYR 3 -9.406 10.116 -0.573
26 HE2 TYR 3 1HE TYR 3 -8.216 12.006 -4.211
27 HH TYR 3 HH TYR 3 -10.527 12.000 -1.743
28 H LYS 4 H LYS 4 -2.703 10.308 0.282
29 HA LYS 4 HA LYS 4 -0.646 8.711 -0.698
30 HB2 LYS 4 2HB LYS 4 0.771 10.156 0.359
31 HB3 LYS 4 1HB LYS 4 -0.695 11.108 0.491
32 HG2 LYS 4 2HG LYS 4 0.175 9.235 2.673
33 HG3 LYS 4 1HG LYS 4 0.774 10.886 2.559
34 HD2 LYS 4 2HD LYS 4 -2.074 9.986 2.948
35 HD3 LYS 4 1HD LYS 4 -1.067 10.895 4.070
36 HE2 LYS 4 2HE LYS 4 -2.280 11.815 1.483
37 HE3 LYS 4 1HE LYS 4 -2.538 12.460 3.102
38 HZ1 LYS 4 1HZ LYS 4 0.101 12.783 2.824
39 HZ2 LYS 4 2HZ LYS 4 -1.036 13.974 2.438
40 HZ3 LYS 4 3HZ LYS 4 -0.398 12.988 1.220
41 H LYS 5 H LYS 5 -2.557 8.537 2.159
42 HA LYS 5 HA LYS 5 -1.124 6.543 3.521
43 HB2 LYS 5 2HB LYS 5 -2.746 7.432 4.887
44 HB3 LYS 5 1HB LYS 5 -3.868 7.664 3.553
45 HG2 LYS 5 2HG LYS 5 -4.045 5.082 3.598
46 HG3 LYS 5 1HG LYS 5 -3.412 5.254 5.236
47 HD2 LYS 5 2HD LYS 5 -5.474 7.193 4.826
48 HD3 LYS 5 1HD LYS 5 -6.075 5.608 4.334
49 HE2 LYS 5 2HE LYS 5 -6.127 4.842 6.443
50 HE3 LYS 5 1HE LYS 5 -4.578 5.582 6.849
51 HZ1 LYS 5 1HZ LYS 5 -6.777 7.435 6.497
52 HZ2 LYS 5 2HZ LYS 5 -5.573 7.396 7.684
53 HZ3 LYS 5 3HZ LYS 5 -6.928 6.393 7.822
54 H PHE 6 H PHE 6 -3.763 6.511 1.219
55 HA PHE 6 HA PHE 6 -4.148 3.774 1.015
56 HB2 PHE 6 2HB PHE 6 -4.307 5.681 -1.318
57 HB3 PHE 6 1HB PHE 6 -5.141 4.143 -1.153
58 HD1 PHE 6 2HD PHE 6 -5.471 5.258 2.004
59 HD2 PHE 6 1HD PHE 6 -6.711 6.332 -1.923
60 HE1 PHE 6 2HE PHE 6 -7.413 6.438 2.943
61 HE2 PHE 6 1HE PHE 6 -8.655 7.509 -0.991
62 HZ PHE 6 HZ PHE 6 -9.003 7.567 1.442
63 H LYS 7 H LYS 7 -1.553 5.721 -0.191
64 HA LYS 7 HA LYS 7 -0.615 3.841 -2.100
65 HB2 LYS 7 2HB LYS 7 1.203 5.205 -2.417
66 HB3 LYS 7 1HB LYS 7 0.054 6.358 -1.764
67 HG2 LYS 7 2HG LYS 7 1.970 6.863 -0.601
68 HG3 LYS 7 1HG LYS 7 1.147 5.770 0.508
69 HD2 LYS 7 2HD LYS 7 2.667 4.109 -1.122
70 HD3 LYS 7 1HD LYS 7 3.713 5.489 -0.774
71 HE2 LYS 7 2HE LYS 7 2.225 4.540 1.551
72 HE3 LYS 7 1HE LYS 7 3.303 3.323 0.865
73 HZ1 LYS 7 1HZ LYS 7 3.947 5.834 2.193
74 HZ2 LYS 7 2HZ LYS 7 4.928 5.411 0.882
75 HZ3 LYS 7 3HZ LYS 7 4.780 4.361 2.200
76 H LYS 8 H LYS 8 -0.231 4.312 1.324
77 HA LYS 8 HA LYS 8 1.858 2.491 1.774
78 HB2 LYS 8 2HB LYS 8 1.290 2.543 4.041
79 HB3 LYS 8 1HB LYS 8 0.743 4.098 3.436
80 HG2 LYS 8 2HG LYS 8 -0.990 3.396 4.805
81 HG3 LYS 8 1HG LYS 8 -1.550 2.982 3.193
82 HD2 LYS 8 2HD LYS 8 -1.830 0.891 3.821
83 HD3 LYS 8 1HD LYS 8 -0.102 0.763 4.171
84 HE2 LYS 8 2HE LYS 8 -1.075 0.213 6.206
85 HE3 LYS 8 1HE LYS 8 -0.715 1.928 6.401
86 HZ1 LYS 8 1HZ LYS 8 -3.293 0.586 6.165
87 HZ2 LYS 8 2HZ LYS 8 -3.157 2.098 5.420
88 HZ3 LYS 8 3HZ LYS 8 -2.858 1.944 7.079
89 H LYS 9 H LYS 9 -1.601 2.029 1.597
90 HA LYS 9 HA LYS 9 -1.408 -0.833 1.910
91 HB2 LYS 9 2HB LYS 9 -3.405 0.807 2.498
92 HB3 LYS 9 1HB LYS 9 -3.872 0.472 0.837
93 HG2 LYS 9 2HG LYS 9 -3.335 -2.030 1.861
94 HG3 LYS 9 1HG LYS 9 -4.096 -1.188 3.210
95 HD2 LYS 9 2HD LYS 9 -6.067 -1.606 2.265
96 HD3 LYS 9 1HD LYS 9 -5.615 -0.507 0.962
97 HE2 LYS 9 2HE LYS 9 -6.024 -2.361 -0.285
98 HE3 LYS 9 1HE LYS 9 -4.335 -2.677 0.109
99 HZ1 LYS 9 1HZ LYS 9 -5.574 -3.787 2.197
100 HZ2 LYS 9 2HZ LYS 9 -5.148 -4.633 0.798
101 HZ3 LYS 9 3HZ LYS 9 -6.727 -4.055 0.988
102 H LEU 10 H LEU 10 -1.357 1.450 -0.658
103 HA LEU 10 HA LEU 10 -1.984 -0.507 -2.688
104 HB2 LEU 10 2HB LEU 10 -2.448 2.034 -2.777
105 HB3 LEU 10 1HB LEU 10 -0.747 2.183 -3.187
106 HG LEU 10 HG LEU 10 -1.530 0.293 -4.965
107 HD11 LEU 10 1HD1 LEU 10 -3.798 0.215 -4.728
108 HD12 LEU 10 2HD1 LEU 10 -3.670 1.513 -5.917
109 HD13 LEU 10 3HD1 LEU 10 -3.917 1.897 -4.212
110 HD21 LEU 10 1HD2 LEU 10 -1.998 3.104 -5.776
111 HD22 LEU 10 2HD2 LEU 10 -1.009 1.851 -6.529
112 HD23 LEU 10 3HD2 LEU 10 -0.414 2.708 -5.106
113 H LEU 11 H LEU 11 0.738 0.541 -0.960
114 HA LEU 11 HA LEU 11 2.674 -0.203 -2.942
115 HB2 LEU 11 2HB LEU 11 4.239 0.684 -1.567
116 HB3 LEU 11 1HB LEU 11 2.842 1.439 -0.835
117 HG LEU 11 HG LEU 11 2.843 -0.623 0.747
118 HD11 LEU 11 1HD1 LEU 11 5.503 -1.075 0.988
119 HD12 LEU 11 2HD1 LEU 11 5.344 -0.947 -0.764
120 HD13 LEU 11 3HD1 LEU 11 4.390 -2.136 0.123
121 HD21 LEU 11 1HD2 LEU 11 4.520 1.810 0.756
122 HD22 LEU 11 2HD2 LEU 11 4.902 0.579 1.959
123 HD23 LEU 11 3HD2 LEU 11 3.284 1.277 1.894
124 H LYS 12 H LYS 12 1.301 -1.618 -0.044
125 HA LYS 12 HA LYS 12 2.902 -3.944 -0.021
126 HB2 LYS 12 2HB LYS 12 1.713 -4.395 1.837
127 HB3 LYS 12 1HB LYS 12 0.837 -2.906 1.550
128 HG2 LYS 12 2HG LYS 12 -0.337 -5.058 0.029
129 HG3 LYS 12 1HG LYS 12 -0.194 -5.496 1.720
130 HD2 LYS 12 2HD LYS 12 -1.186 -3.100 2.105
131 HD3 LYS 12 1HD LYS 12 -1.768 -3.320 0.455
132 HE2 LYS 12 2HE LYS 12 -2.288 -5.158 2.784
133 HE3 LYS 12 1HE LYS 12 -3.448 -4.046 2.056
134 HZ1 LYS 12 1HZ LYS 12 -3.274 -5.291 -0.015
135 HZ2 LYS 12 2HZ LYS 12 -3.773 -6.295 1.251
136 HZ3 LYS 12 3HZ LYS 12 -2.177 -6.363 0.698
137 H SER 13 H SER 13 -0.358 -3.391 -1.248
138 HA SER 13 HA SER 13 -0.649 -5.823 -2.645
139 HB2 SER 13 2HB SER 13 -2.217 -3.540 -2.126
140 HB3 SER 13 1HB SER 13 -2.123 -3.668 -3.882
141 HG SER 13 HG SER 13 -3.248 -5.467 -3.822
142 H LEU 14 H LEU 14 0.440 -2.591 -3.612
143 HA LEU 14 HA LEU 14 0.623 -2.692 -6.289
144 HB2 LEU 14 2HB LEU 14 1.583 -0.800 -5.368
145 HB3 LEU 14 1HB LEU 14 2.545 -1.716 -4.225
146 HG LEU 14 HG LEU 14 3.374 -2.279 -6.933
147 HD11 LEU 14 1HD1 LEU 14 3.988 0.540 -6.237
148 HD12 LEU 14 2HD1 LEU 14 2.408 0.191 -6.937
149 HD13 LEU 14 3HD1 LEU 14 3.874 -0.241 -7.816
150 HD21 LEU 14 1HD2 LEU 14 4.483 -2.176 -4.416
151 HD22 LEU 14 2HD2 LEU 14 5.207 -0.788 -5.229
152 HD23 LEU 14 3HD2 LEU 14 5.364 -2.401 -5.927
153 H LYS 15 H LYS 15 3.269 -3.919 -4.244
154 HA LYS 15 HA LYS 15 4.117 -5.588 -6.458
155 HB2 LYS 15 2HB LYS 15 5.698 -4.170 -5.047
156 HB3 LYS 15 1HB LYS 15 5.485 -5.376 -3.786
157 HG2 LYS 15 2HG LYS 15 6.095 -6.710 -6.224
158 HG3 LYS 15 1HG LYS 15 7.266 -5.415 -5.974
159 HD2 LYS 15 2HD LYS 15 8.107 -6.361 -4.065
160 HD3 LYS 15 1HD LYS 15 6.586 -7.159 -3.663
161 HE2 LYS 15 2HE LYS 15 6.974 -8.918 -5.133
162 HE3 LYS 15 1HE LYS 15 8.149 -8.000 -6.074
163 HZ1 LYS 15 1HZ LYS 15 8.508 -9.448 -3.558
164 HZ2 LYS 15 2HZ LYS 15 9.433 -8.054 -3.801
165 HZ3 LYS 15 3HZ LYS 15 9.537 -9.340 -4.896
166 H ARG 16 H ARG 16 4.254 -6.434 -2.984
167 HA ARG 16 HA ARG 16 3.213 -9.055 -3.726
168 HB2 ARG 16 2HB ARG 16 5.348 -8.290 -2.103
169 HB3 ARG 16 1HB ARG 16 4.137 -8.927 -1.001
170 HG2 ARG 16 2HG ARG 16 5.350 -10.332 -3.370
171 HG3 ARG 16 1HG ARG 16 5.582 -10.712 -1.662
172 HD2 ARG 16 2HD ARG 16 2.838 -10.743 -2.868
173 HD3 ARG 16 1HD ARG 16 3.912 -12.123 -3.062
174 HE ARG 16 HE ARG 16 2.897 -11.092 -0.498
175 HH11 ARG 16 1HH1 ARG 16 4.297 -13.670 -2.398
176 HH12 ARG 16 2HH1 ARG 16 4.128 -14.850 -1.146
177 HH21 ARG 16 1HH2 ARG 16 2.671 -12.648 1.145
178 HH22 ARG 16 2HH2 ARG 16 3.205 -14.273 0.868
179 H LEU 17 H LEU 17 3.079 -7.492 -0.633
180 HA LEU 17 HA LEU 17 0.580 -6.641 -0.257
181 HB2 LEU 17 2HB LEU 17 -0.874 -8.313 -0.475
182 HB3 LEU 17 1HB LEU 17 0.426 -9.430 -0.826
183 HG LEU 17 HG LEU 17 0.694 -9.703 1.696
184 HD11 LEU 17 1HD1 LEU 17 -1.120 -7.614 1.766
185 HD12 LEU 17 2HD1 LEU 17 -0.633 -8.630 3.123
186 HD13 LEU 17 3HD1 LEU 17 -2.079 -9.030 2.196
187 HD21 LEU 17 1HD2 LEU 17 -0.795 -11.477 1.731
188 HD22 LEU 17 2HD2 LEU 17 -0.534 -11.230 0.003
189 HD23 LEU 17 3HD2 LEU 17 -2.000 -10.618 0.769
190 H GLY 18 H GLY 18 3.253 -8.459 0.924
191 HA2 GLY 18 2HA GLY 18 3.144 -7.025 3.446
192 HA3 GLY 18 1HA GLY 18 3.022 -8.775 3.567
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 -6.339 15.960 1.715
2 H2 ALA 1 2HT ALA 1 -6.301 14.514 0.791
3 H3 ALA 1 3HT ALA 1 -5.566 15.941 0.185
4 HA ALA 1 HA ALA 1 -3.796 14.783 0.912
5 HB1 ALA 1 1HB ALA 1 -4.788 16.812 2.799
6 HB2 ALA 1 2HB ALA 1 -3.254 16.714 1.935
7 HB3 ALA 1 3HB ALA 1 -3.500 15.771 3.404
8 H LEU 2 H LEU 2 -4.455 12.579 0.973
9 HA LEU 2 HA LEU 2 -4.049 11.338 3.454
10 HB2 LEU 2 2HB LEU 2 -6.394 12.194 3.760
11 HB3 LEU 2 1HB LEU 2 -6.884 11.102 2.477
12 HG LEU 2 HG LEU 2 -5.608 9.369 4.105
13 HD11 LEU 2 1HD1 LEU 2 -6.573 9.967 6.414
14 HD12 LEU 2 2HD1 LEU 2 -6.601 11.623 5.809
15 HD13 LEU 2 3HD1 LEU 2 -5.074 10.741 5.902
16 HD21 LEU 2 1HD2 LEU 2 -8.434 10.050 4.757
17 HD22 LEU 2 2HD2 LEU 2 -7.686 8.476 4.493
18 HD23 LEU 2 3HD2 LEU 2 -8.033 9.530 3.123
19 H TYR 3 H TYR 3 -5.242 11.123 0.190
20 HA TYR 3 HA TYR 3 -5.314 8.406 -0.176
21 HB2 TYR 3 2HB TYR 3 -4.211 10.353 -2.206
22 HB3 TYR 3 1HB TYR 3 -4.961 8.795 -2.534
23 HD1 TYR 3 2HD TYR 3 -7.056 9.621 -0.142
24 HD2 TYR 3 1HD TYR 3 -5.883 11.199 -3.911
25 HE1 TYR 3 2HE TYR 3 -9.243 10.706 -0.357
26 HE2 TYR 3 1HE TYR 3 -8.069 12.296 -4.139
27 HH TYR 3 HH TYR 3 -10.309 12.507 -1.534
28 H LYS 4 H LYS 4 -2.551 10.429 0.271
29 HA LYS 4 HA LYS 4 -0.570 8.775 -0.783
30 HB2 LYS 4 2HB LYS 4 0.963 10.088 0.340
31 HB3 LYS 4 1HB LYS 4 -0.436 11.153 0.355
32 HG2 LYS 4 2HG LYS 4 0.309 9.327 2.633
33 HG3 LYS 4 1HG LYS 4 0.798 11.017 2.513
34 HD2 LYS 4 2HD LYS 4 -2.077 10.514 2.144
35 HD3 LYS 4 1HD LYS 4 -1.454 10.169 3.757
36 HE2 LYS 4 2HE LYS 4 -2.332 12.515 3.319
37 HE3 LYS 4 1HE LYS 4 -0.742 12.380 4.070
38 HZ1 LYS 4 1HZ LYS 4 0.290 12.794 1.950
39 HZ2 LYS 4 2HZ LYS 4 -0.812 14.034 2.275
40 HZ3 LYS 4 3HZ LYS 4 -1.211 12.818 1.170
41 H LYS 5 H LYS 5 -2.358 8.677 2.167
42 HA LYS 5 HA LYS 5 -0.985 6.577 3.432
43 HB2 LYS 5 2HB LYS 5 -2.477 7.548 4.896
44 HB3 LYS 5 1HB LYS 5 -3.645 7.879 3.624
45 HG2 LYS 5 2HG LYS 5 -4.251 5.490 3.623
46 HG3 LYS 5 1HG LYS 5 -3.178 5.255 5.004
47 HD2 LYS 5 2HD LYS 5 -4.503 6.645 6.392
48 HD3 LYS 5 1HD LYS 5 -5.389 7.298 5.013
49 HE2 LYS 5 2HE LYS 5 -6.809 5.548 4.930
50 HE3 LYS 5 1HE LYS 5 -5.558 4.381 5.352
51 HZ1 LYS 5 1HZ LYS 5 -5.841 5.749 7.645
52 HZ2 LYS 5 2HZ LYS 5 -6.639 4.301 7.294
53 HZ3 LYS 5 3HZ LYS 5 -7.426 5.778 7.053
54 H PHE 6 H PHE 6 -3.760 6.752 1.300
55 HA PHE 6 HA PHE 6 -4.334 4.053 1.076
56 HB2 PHE 6 2HB PHE 6 -4.509 6.019 -1.214
57 HB3 PHE 6 1HB PHE 6 -5.413 4.524 -1.044
58 HD1 PHE 6 1HD PHE 6 -5.450 5.764 2.154
59 HD2 PHE 6 2HD PHE 6 -7.013 6.635 -1.706
60 HE1 PHE 6 1HE PHE 6 -7.284 7.027 3.187
61 HE2 PHE 6 2HE PHE 6 -8.854 7.899 -0.679
62 HZ PHE 6 HZ PHE 6 -8.988 8.102 1.768
63 H LYS 7 H LYS 7 -1.735 5.874 -0.361
64 HA LYS 7 HA LYS 7 -1.015 3.955 -2.296
65 HB2 LYS 7 2HB LYS 7 0.914 5.143 -2.681
66 HB3 LYS 7 1HB LYS 7 -0.148 6.385 -2.041
67 HG2 LYS 7 2HG LYS 7 1.713 6.847 -0.835
68 HG3 LYS 7 1HG LYS 7 0.988 5.648 0.231
69 HD2 LYS 7 2HD LYS 7 2.529 4.241 -1.669
70 HD3 LYS 7 1HD LYS 7 3.517 5.578 -1.074
71 HE2 LYS 7 2HE LYS 7 2.125 4.394 1.119
72 HE3 LYS 7 1HE LYS 7 2.935 3.126 0.198
73 HZ1 LYS 7 1HZ LYS 7 4.114 5.429 1.606
74 HZ2 LYS 7 2HZ LYS 7 4.940 4.731 0.305
75 HZ3 LYS 7 3HZ LYS 7 4.562 3.799 1.666
76 H LYS 8 H LYS 8 -0.336 4.359 1.095
77 HA LYS 8 HA LYS 8 1.632 2.413 1.437
78 HB2 LYS 8 2HB LYS 8 1.162 2.473 3.714
79 HB3 LYS 8 1HB LYS 8 0.570 4.034 3.163
80 HG2 LYS 8 2HG LYS 8 -1.069 3.225 4.636
81 HG3 LYS 8 1HG LYS 8 -1.724 2.961 3.026
82 HD2 LYS 8 2HD LYS 8 -1.892 0.788 3.356
83 HD3 LYS 8 1HD LYS 8 -0.212 0.673 3.895
84 HE2 LYS 8 2HE LYS 8 -2.677 1.239 5.523
85 HE3 LYS 8 1HE LYS 8 -1.519 -0.079 5.713
86 HZ1 LYS 8 1HZ LYS 8 0.104 1.938 6.102
87 HZ2 LYS 8 2HZ LYS 8 -0.824 1.297 7.361
88 HZ3 LYS 8 3HZ LYS 8 -1.326 2.708 6.577
89 H LYS 9 H LYS 9 -1.825 2.165 1.193
90 HA LYS 9 HA LYS 9 -1.909 -0.657 1.651
91 HB2 LYS 9 2HB LYS 9 -3.887 0.497 2.212
92 HB3 LYS 9 1HB LYS 9 -3.904 1.379 0.695
93 HG2 LYS 9 2HG LYS 9 -5.573 -0.084 0.274
94 HG3 LYS 9 1HG LYS 9 -4.224 -1.070 -0.285
95 HD2 LYS 9 2HD LYS 9 -4.827 -1.282 2.586
96 HD3 LYS 9 1HD LYS 9 -6.083 -1.890 1.506
97 HE2 LYS 9 2HE LYS 9 -3.562 -2.777 0.541
98 HE3 LYS 9 1HE LYS 9 -3.649 -3.129 2.267
99 HZ1 LYS 9 1HZ LYS 9 -6.075 -3.902 1.417
100 HZ2 LYS 9 2HZ LYS 9 -4.751 -4.938 1.597
101 HZ3 LYS 9 3HZ LYS 9 -5.122 -4.296 0.075
102 H LEU 10 H LEU 10 -1.729 1.333 -1.225
103 HA LEU 10 HA LEU 10 -2.003 -1.051 -2.869
104 HB2 LEU 10 2HB LEU 10 -1.119 0.919 -4.589
105 HB3 LEU 10 1HB LEU 10 -2.775 0.406 -4.357
106 HG LEU 10 HG LEU 10 -1.745 2.479 -2.519
107 HD11 LEU 10 1HD1 LEU 10 -0.839 3.395 -4.492
108 HD12 LEU 10 2HD1 LEU 10 -2.386 4.209 -4.266
109 HD13 LEU 10 3HD1 LEU 10 -2.238 2.913 -5.452
110 HD21 LEU 10 1HD2 LEU 10 -4.038 3.346 -2.861
111 HD22 LEU 10 2HD2 LEU 10 -4.006 1.684 -2.275
112 HD23 LEU 10 3HD2 LEU 10 -4.342 2.013 -3.974
113 H LEU 11 H LEU 11 0.362 0.347 -1.076
114 HA LEU 11 HA LEU 11 2.563 -0.144 -2.830
115 HB2 LEU 11 2HB LEU 11 3.874 0.812 -1.253
116 HB3 LEU 11 1HB LEU 11 2.347 1.372 -0.609
117 HG LEU 11 HG LEU 11 2.382 -0.718 0.868
118 HD11 LEU 11 1HD1 LEU 11 3.979 -2.190 0.323
119 HD12 LEU 11 2HD1 LEU 11 5.060 -1.122 1.218
120 HD13 LEU 11 3HD1 LEU 11 4.935 -0.982 -0.536
121 HD21 LEU 11 1HD2 LEU 11 2.748 1.054 2.201
122 HD22 LEU 11 2HD2 LEU 11 3.938 1.761 1.110
123 HD23 LEU 11 3HD2 LEU 11 4.411 0.470 2.213
124 H LYS 12 H LYS 12 1.035 -1.733 -0.095
125 HA LYS 12 HA LYS 12 2.764 -3.979 -0.029
126 HB2 LYS 12 2HB LYS 12 1.550 -4.352 1.820
127 HB3 LYS 12 1HB LYS 12 0.470 -3.050 1.365
128 HG2 LYS 12 2HG LYS 12 -0.083 -5.627 0.060
129 HG3 LYS 12 1HG LYS 12 -0.288 -5.598 1.807
130 HD2 LYS 12 2HD LYS 12 -2.088 -4.252 1.708
131 HD3 LYS 12 1HD LYS 12 -1.424 -3.302 0.383
132 HE2 LYS 12 2HE LYS 12 -3.233 -4.352 -0.617
133 HE3 LYS 12 1HE LYS 12 -1.889 -5.409 -1.041
134 HZ1 LYS 12 1HZ LYS 12 -4.223 -6.108 0.256
135 HZ2 LYS 12 2HZ LYS 12 -3.006 -6.210 1.426
136 HZ3 LYS 12 3HZ LYS 12 -2.869 -7.082 -0.015
137 H SER 13 H SER 13 -0.481 -3.559 -1.383
138 HA SER 13 HA SER 13 -0.660 -5.979 -2.789
139 HB2 SER 13 2HB SER 13 -2.235 -3.665 -2.452
140 HB3 SER 13 1HB SER 13 -1.997 -3.829 -4.191
141 HG SER 13 HG SER 13 -2.697 -6.053 -3.910
142 H LEU 14 H LEU 14 0.366 -2.754 -3.837
143 HA LEU 14 HA LEU 14 0.831 -2.905 -6.444
144 HB2 LEU 14 2HB LEU 14 1.685 -0.972 -5.597
145 HB3 LEU 14 1HB LEU 14 2.413 -1.774 -4.218
146 HG LEU 14 HG LEU 14 3.812 -2.554 -6.598
147 HD11 LEU 14 1HD1 LEU 14 3.063 0.295 -6.427
148 HD12 LEU 14 2HD1 LEU 14 3.492 -0.689 -7.827
149 HD13 LEU 14 3HD1 LEU 14 4.756 -0.059 -6.771
150 HD21 LEU 14 1HD2 LEU 14 4.629 -0.866 -4.237
151 HD22 LEU 14 2HD2 LEU 14 5.722 -1.645 -5.380
152 HD23 LEU 14 3HD2 LEU 14 4.705 -2.625 -4.326
153 H LYS 15 H LYS 15 3.342 -4.026 -4.182
154 HA LYS 15 HA LYS 15 4.489 -5.590 -6.333
155 HB2 LYS 15 2HB LYS 15 5.886 -4.171 -4.822
156 HB3 LYS 15 1HB LYS 15 5.523 -5.292 -3.519
157 HG2 LYS 15 2HG LYS 15 6.543 -6.570 -5.946
158 HG3 LYS 15 1HG LYS 15 7.672 -5.452 -5.179
159 HD2 LYS 15 2HD LYS 15 8.143 -6.972 -3.626
160 HD3 LYS 15 1HD LYS 15 6.447 -7.029 -3.146
161 HE2 LYS 15 2HE LYS 15 6.877 -9.229 -3.720
162 HE3 LYS 15 1HE LYS 15 6.171 -8.583 -5.200
163 HZ1 LYS 15 1HZ LYS 15 8.021 -9.708 -5.953
164 HZ2 LYS 15 2HZ LYS 15 8.979 -9.266 -4.631
165 HZ3 LYS 15 3HZ LYS 15 8.615 -8.128 -5.828
166 H ARG 16 H ARG 16 4.298 -6.537 -2.899
167 HA ARG 16 HA ARG 16 3.603 -9.207 -3.841
168 HB2 ARG 16 2HB ARG 16 5.479 -8.424 -2.031
169 HB3 ARG 16 1HB ARG 16 4.163 -8.918 -0.977
170 HG2 ARG 16 2HG ARG 16 5.296 -10.625 -3.177
171 HG3 ARG 16 1HG ARG 16 5.778 -10.724 -1.478
172 HD2 ARG 16 2HD ARG 16 2.887 -10.920 -2.209
173 HD3 ARG 16 1HD ARG 16 3.931 -12.321 -2.441
174 HE ARG 16 HE ARG 16 3.024 -11.214 0.066
175 HH11 ARG 16 1HH1 ARG 16 5.352 -13.267 -1.523
176 HH12 ARG 16 2HH1 ARG 16 5.767 -14.130 -0.080
177 HH21 ARG 16 1HH2 ARG 16 3.556 -12.341 1.968
178 HH22 ARG 16 2HH2 ARG 16 4.741 -13.604 1.912
179 H LEU 17 H LEU 17 2.859 -7.737 -0.788
180 HA LEU 17 HA LEU 17 0.301 -7.094 -0.732
181 HB2 LEU 17 2HB LEU 17 -0.954 -8.822 -1.378
182 HB3 LEU 17 1HB LEU 17 0.438 -9.881 -1.437
183 HG LEU 17 HG LEU 17 0.143 -10.202 1.073
184 HD11 LEU 17 1HD1 LEU 17 -1.558 -9.283 2.189
185 HD12 LEU 17 2HD1 LEU 17 -2.702 -9.582 0.881
186 HD13 LEU 17 3HD1 LEU 17 -1.659 -8.162 0.837
187 HD21 LEU 17 1HD2 LEU 17 -0.925 -12.110 0.603
188 HD22 LEU 17 2HD2 LEU 17 -0.858 -11.556 -1.071
189 HD23 LEU 17 3HD2 LEU 17 -2.308 -11.276 -0.104
190 H GLY 18 H GLY 18 2.909 -8.807 0.697
191 HA2 GLY 18 2HA GLY 18 2.278 -7.650 3.289
192 HA3 GLY 18 1HA GLY 18 2.355 -9.405 3.232
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 -5.975 14.860 1.483
2 H2 ALA 1 2HT ALA 1 -5.096 16.298 1.804
3 H3 ALA 1 3HT ALA 1 -5.987 15.536 3.058
4 HA ALA 1 HA ALA 1 -3.701 14.356 1.637
5 HB1 ALA 1 1HB ALA 1 -2.574 15.893 2.851
6 HB2 ALA 1 2HB ALA 1 -2.808 14.705 4.134
7 HB3 ALA 1 3HB ALA 1 -3.882 16.099 4.015
8 H LEU 2 H LEU 2 -4.272 12.286 1.524
9 HA LEU 2 HA LEU 2 -4.318 10.673 3.812
10 HB2 LEU 2 2HB LEU 2 -6.739 9.797 3.293
11 HB3 LEU 2 1HB LEU 2 -6.474 11.133 4.397
12 HG LEU 2 HG LEU 2 -6.877 11.934 1.594
13 HD11 LEU 2 1HD1 LEU 2 -9.317 11.598 1.707
14 HD12 LEU 2 2HD1 LEU 2 -9.096 10.636 3.167
15 HD13 LEU 2 3HD1 LEU 2 -8.422 10.079 1.636
16 HD21 LEU 2 1HD2 LEU 2 -7.126 13.811 2.771
17 HD22 LEU 2 2HD2 LEU 2 -7.311 12.930 4.286
18 HD23 LEU 2 3HD2 LEU 2 -8.707 13.192 3.243
19 H TYR 3 H TYR 3 -5.131 11.060 0.439
20 HA TYR 3 HA TYR 3 -5.245 8.380 -0.275
21 HB2 TYR 3 2HB TYR 3 -4.085 10.576 -2.002
22 HB3 TYR 3 1HB TYR 3 -4.799 9.064 -2.551
23 HD1 TYR 3 2HD TYR 3 -7.003 9.519 -0.193
24 HD2 TYR 3 1HD TYR 3 -5.682 11.654 -3.625
25 HE1 TYR 3 2HE TYR 3 -9.200 10.603 -0.352
26 HE2 TYR 3 1HE TYR 3 -7.876 12.754 -3.793
27 HH TYR 3 HH TYR 3 -10.241 12.534 -1.292
28 H LYS 4 H LYS 4 -2.575 10.276 0.717
29 HA LYS 4 HA LYS 4 -0.548 8.718 -0.478
30 HB2 LYS 4 2HB LYS 4 0.944 10.014 0.695
31 HB3 LYS 4 1HB LYS 4 -0.467 11.052 0.796
32 HG2 LYS 4 2HG LYS 4 0.248 9.080 2.949
33 HG3 LYS 4 1HG LYS 4 0.869 10.728 2.914
34 HD2 LYS 4 2HD LYS 4 -2.021 9.883 3.085
35 HD3 LYS 4 1HD LYS 4 -1.059 10.633 4.355
36 HE2 LYS 4 2HE LYS 4 -2.099 11.849 1.817
37 HE3 LYS 4 1HE LYS 4 -2.364 12.367 3.480
38 HZ1 LYS 4 1HZ LYS 4 -0.774 13.848 2.978
39 HZ2 LYS 4 2HZ LYS 4 -0.151 12.935 1.699
40 HZ3 LYS 4 3HZ LYS 4 0.292 12.571 3.290
41 H LYS 5 H LYS 5 -2.603 8.380 2.226
42 HA LYS 5 HA LYS 5 -1.238 6.267 3.539
43 HB2 LYS 5 2HB LYS 5 -2.820 7.144 4.950
44 HB3 LYS 5 1HB LYS 5 -3.894 7.569 3.622
45 HG2 LYS 5 2HG LYS 5 -4.200 4.964 3.486
46 HG3 LYS 5 1HG LYS 5 -3.717 5.059 5.181
47 HD2 LYS 5 2HD LYS 5 -5.557 7.119 4.862
48 HD3 LYS 5 1HD LYS 5 -6.224 5.787 3.917
49 HE2 LYS 5 2HE LYS 5 -6.442 4.415 5.756
50 HE3 LYS 5 1HE LYS 5 -5.199 5.269 6.669
51 HZ1 LYS 5 1HZ LYS 5 -7.272 7.067 6.154
52 HZ2 LYS 5 2HZ LYS 5 -6.790 6.434 7.646
53 HZ3 LYS 5 3HZ LYS 5 -7.976 5.643 6.735
54 H PHE 6 H PHE 6 -3.542 6.592 0.969
55 HA PHE 6 HA PHE 6 -4.318 3.933 0.699
56 HB2 PHE 6 2HB PHE 6 -4.092 5.974 -1.506
57 HB3 PHE 6 1HB PHE 6 -5.020 4.486 -1.579
58 HD1 PHE 6 1HD PHE 6 -5.464 5.567 1.664
59 HD2 PHE 6 2HD PHE 6 -6.558 6.591 -2.321
60 HE1 PHE 6 1HE PHE 6 -7.434 6.757 2.515
61 HE2 PHE 6 2HE PHE 6 -8.535 7.782 -1.471
62 HZ PHE 6 HZ PHE 6 -8.972 7.863 0.950
63 H LYS 7 H LYS 7 -1.736 5.655 -0.956
64 HA LYS 7 HA LYS 7 -0.885 3.432 -2.422
65 HB2 LYS 7 2HB LYS 7 1.324 4.577 -2.580
66 HB3 LYS 7 1HB LYS 7 -0.043 5.533 -3.103
67 HG2 LYS 7 2HG LYS 7 1.401 6.961 -1.891
68 HG3 LYS 7 1HG LYS 7 -0.023 6.676 -0.901
69 HD2 LYS 7 2HD LYS 7 2.393 6.599 0.136
70 HD3 LYS 7 1HD LYS 7 1.149 5.484 0.675
71 HE2 LYS 7 2HE LYS 7 2.317 3.729 0.015
72 HE3 LYS 7 1HE LYS 7 2.609 4.423 -1.574
73 HZ1 LYS 7 1HZ LYS 7 4.229 4.691 0.875
74 HZ2 LYS 7 2HZ LYS 7 4.352 5.835 -0.365
75 HZ3 LYS 7 3HZ LYS 7 4.718 4.212 -0.672
76 H LYS 8 H LYS 8 -0.465 4.325 0.893
77 HA LYS 8 HA LYS 8 1.741 2.718 1.535
78 HB2 LYS 8 2HB LYS 8 1.357 3.728 3.490
79 HB3 LYS 8 1HB LYS 8 -0.241 4.212 2.964
80 HG2 LYS 8 2HG LYS 8 -0.262 1.445 3.741
81 HG3 LYS 8 1HG LYS 8 0.438 2.435 5.013
82 HD2 LYS 8 2HD LYS 8 -1.620 3.966 4.572
83 HD3 LYS 8 1HD LYS 8 -2.302 2.516 3.831
84 HE2 LYS 8 2HE LYS 8 -1.535 1.372 6.044
85 HE3 LYS 8 1HE LYS 8 -1.542 3.018 6.676
86 HZ1 LYS 8 1HZ LYS 8 -3.796 1.390 5.718
87 HZ2 LYS 8 2HZ LYS 8 -3.897 3.075 5.635
88 HZ3 LYS 8 3HZ LYS 8 -3.665 2.315 7.127
89 H LYS 9 H LYS 9 -1.691 1.960 1.746
90 HA LYS 9 HA LYS 9 -1.239 -0.813 2.250
91 HB2 LYS 9 2HB LYS 9 -3.372 -0.612 2.932
92 HB3 LYS 9 1HB LYS 9 -3.487 0.973 2.196
93 HG2 LYS 9 2HG LYS 9 -4.962 0.175 0.754
94 HG3 LYS 9 1HG LYS 9 -3.744 -0.919 0.107
95 HD2 LYS 9 2HD LYS 9 -5.460 -1.519 2.511
96 HD3 LYS 9 1HD LYS 9 -5.819 -2.054 0.868
97 HE2 LYS 9 2HE LYS 9 -4.745 -3.892 1.795
98 HE3 LYS 9 1HE LYS 9 -3.451 -3.073 0.921
99 HZ1 LYS 9 1HZ LYS 9 -3.925 -2.504 3.775
100 HZ2 LYS 9 2HZ LYS 9 -2.509 -2.305 2.874
101 HZ3 LYS 9 3HZ LYS 9 -3.019 -3.853 3.312
102 H LEU 10 H LEU 10 -1.556 1.192 -0.536
103 HA LEU 10 HA LEU 10 -1.960 -0.994 -2.355
104 HB2 LEU 10 2HB LEU 10 -2.656 1.511 -2.606
105 HB3 LEU 10 1HB LEU 10 -1.012 1.712 -3.190
106 HG LEU 10 HG LEU 10 -1.965 -0.481 -4.582
107 HD11 LEU 10 1HD1 LEU 10 -4.144 1.419 -3.968
108 HD12 LEU 10 2HD1 LEU 10 -4.215 -0.296 -4.371
109 HD13 LEU 10 3HD1 LEU 10 -4.003 0.903 -5.649
110 HD21 LEU 10 1HD2 LEU 10 -1.625 0.848 -6.489
111 HD22 LEU 10 2HD2 LEU 10 -0.505 1.478 -5.281
112 HD23 LEU 10 3HD2 LEU 10 -2.009 2.336 -5.622
113 H LEU 11 H LEU 11 0.654 0.295 -0.724
114 HA LEU 11 HA LEU 11 2.643 -0.286 -2.720
115 HB2 LEU 11 2HB LEU 11 4.196 0.663 -1.335
116 HB3 LEU 11 1HB LEU 11 2.754 1.443 -0.731
117 HG LEU 11 HG LEU 11 2.736 -0.535 0.987
118 HD11 LEU 11 1HD1 LEU 11 5.359 -0.815 1.467
119 HD12 LEU 11 2HD1 LEU 11 5.382 -0.741 -0.293
120 HD13 LEU 11 3HD1 LEU 11 4.417 -1.968 0.525
121 HD21 LEU 11 1HD2 LEU 11 3.536 2.092 1.049
122 HD22 LEU 11 2HD2 LEU 11 4.926 1.237 1.717
123 HD23 LEU 11 3HD2 LEU 11 3.334 1.041 2.451
124 H LYS 12 H LYS 12 1.367 -1.717 0.184
125 HA LYS 12 HA LYS 12 3.081 -3.930 0.387
126 HB2 LYS 12 2HB LYS 12 1.757 -4.153 2.201
127 HB3 LYS 12 1HB LYS 12 0.605 -3.017 1.532
128 HG2 LYS 12 2HG LYS 12 0.183 -5.520 0.255
129 HG3 LYS 12 1HG LYS 12 0.309 -5.799 1.979
130 HD2 LYS 12 2HD LYS 12 -1.346 -3.864 2.226
131 HD3 LYS 12 1HD LYS 12 -1.645 -4.075 0.499
132 HE2 LYS 12 2HE LYS 12 -1.777 -6.416 2.365
133 HE3 LYS 12 1HE LYS 12 -3.148 -5.321 2.213
134 HZ1 LYS 12 1HZ LYS 12 -2.297 -5.987 -0.362
135 HZ2 LYS 12 2HZ LYS 12 -3.749 -6.405 0.399
136 HZ3 LYS 12 3HZ LYS 12 -2.407 -7.427 0.520
137 H SER 13 H SER 13 -0.123 -3.668 -1.055
138 HA SER 13 HA SER 13 -0.084 -6.127 -2.458
139 HB2 SER 13 2HB SER 13 -1.969 -4.176 -1.912
140 HB3 SER 13 1HB SER 13 -1.732 -4.027 -3.655
141 HG SER 13 HG SER 13 -3.054 -5.665 -3.722
142 H LEU 14 H LEU 14 0.652 -2.787 -3.370
143 HA LEU 14 HA LEU 14 0.915 -2.787 -6.027
144 HB2 LEU 14 2HB LEU 14 1.701 -0.850 -5.081
145 HB3 LEU 14 1HB LEU 14 2.625 -1.698 -3.862
146 HG LEU 14 HG LEU 14 3.806 -2.215 -6.399
147 HD11 LEU 14 1HD1 LEU 14 3.766 0.721 -5.842
148 HD12 LEU 14 2HD1 LEU 14 2.543 -0.014 -6.878
149 HD13 LEU 14 3HD1 LEU 14 4.250 -0.129 -7.308
150 HD21 LEU 14 1HD2 LEU 14 4.776 -0.508 -4.114
151 HD22 LEU 14 2HD2 LEU 14 5.768 -1.285 -5.347
152 HD23 LEU 14 3HD2 LEU 14 4.893 -2.267 -4.172
153 H LYS 15 H LYS 15 3.617 -3.886 -3.972
154 HA LYS 15 HA LYS 15 4.615 -5.421 -6.227
155 HB2 LYS 15 2HB LYS 15 6.078 -3.954 -4.712
156 HB3 LYS 15 1HB LYS 15 5.946 -5.256 -3.540
157 HG2 LYS 15 2HG LYS 15 6.798 -5.898 -6.319
158 HG3 LYS 15 1HG LYS 15 7.953 -5.155 -5.212
159 HD2 LYS 15 2HD LYS 15 8.374 -7.217 -4.469
160 HD3 LYS 15 1HD LYS 15 6.786 -7.162 -3.702
161 HE2 LYS 15 2HE LYS 15 5.786 -8.391 -5.396
162 HE3 LYS 15 1HE LYS 15 7.039 -7.985 -6.567
163 HZ1 LYS 15 1HZ LYS 15 7.319 -10.242 -5.945
164 HZ2 LYS 15 2HZ LYS 15 7.246 -9.878 -4.295
165 HZ3 LYS 15 3HZ LYS 15 8.575 -9.375 -5.213
166 H ARG 16 H ARG 16 4.736 -6.351 -2.768
167 HA ARG 16 HA ARG 16 3.927 -9.024 -3.620
168 HB2 ARG 16 2HB ARG 16 5.985 -9.047 -2.444
169 HB3 ARG 16 1HB ARG 16 5.336 -8.053 -1.147
170 HG2 ARG 16 2HG ARG 16 5.607 -10.438 -0.539
171 HG3 ARG 16 1HG ARG 16 3.951 -9.852 -0.377
172 HD2 ARG 16 2HD ARG 16 4.084 -10.794 -2.980
173 HD3 ARG 16 1HD ARG 16 5.018 -11.965 -2.053
174 HE ARG 16 HE ARG 16 2.546 -11.370 -0.783
175 HH11 ARG 16 1HH1 ARG 16 3.957 -13.194 -3.399
176 HH12 ARG 16 2HH1 ARG 16 2.702 -14.386 -3.412
177 HH21 ARG 16 1HH2 ARG 16 0.886 -12.938 -0.808
178 HH22 ARG 16 2HH2 ARG 16 0.961 -14.241 -1.944
179 H LEU 17 H LEU 17 3.579 -7.589 -0.495
180 HA LEU 17 HA LEU 17 1.024 -6.915 -0.165
181 HB2 LEU 17 2HB LEU 17 -0.295 -8.675 -0.543
182 HB3 LEU 17 1HB LEU 17 1.092 -9.704 -0.827
183 HG LEU 17 HG LEU 17 1.224 -10.062 1.667
184 HD11 LEU 17 1HD1 LEU 17 -0.050 -8.873 3.027
185 HD12 LEU 17 2HD1 LEU 17 -1.494 -9.544 2.273
186 HD13 LEU 17 3HD1 LEU 17 -0.783 -8.057 1.647
187 HD21 LEU 17 1HD2 LEU 17 -1.089 -11.401 1.559
188 HD22 LEU 17 2HD2 LEU 17 0.367 -11.922 0.713
189 HD23 LEU 17 3HD2 LEU 17 -0.888 -11.035 -0.155
190 H GLY 18 H GLY 18 3.808 -8.565 1.016
191 HA2 GLY 18 2HA GLY 18 3.563 -7.234 3.565
192 HA3 GLY 18 1HA GLY 18 3.442 -8.983 3.663
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 -4.085 15.003 1.608
2 H2 ALA 1 2HT ALA 1 -3.368 16.283 2.499
3 H3 ALA 1 3HT ALA 1 -4.718 15.438 3.141
4 HA ALA 1 HA ALA 1 -2.221 14.075 2.475
5 HB1 ALA 1 1HB ALA 1 -2.825 15.815 4.807
6 HB2 ALA 1 2HB ALA 1 -1.301 15.536 3.963
7 HB3 ALA 1 3HB ALA 1 -1.924 14.324 5.082
8 H LEU 2 H LEU 2 -3.360 12.235 1.996
9 HA LEU 2 HA LEU 2 -4.057 10.539 4.121
10 HB2 LEU 2 2HB LEU 2 -6.488 10.287 3.583
11 HB3 LEU 2 1HB LEU 2 -6.053 11.779 4.403
12 HG LEU 2 HG LEU 2 -6.236 11.748 1.421
13 HD11 LEU 2 1HD1 LEU 2 -8.596 12.198 1.487
14 HD12 LEU 2 2HD1 LEU 2 -8.607 12.112 3.249
15 HD13 LEU 2 3HD1 LEU 2 -8.296 10.661 2.299
16 HD21 LEU 2 1HD2 LEU 2 -5.551 13.824 2.007
17 HD22 LEU 2 2HD2 LEU 2 -6.257 13.726 3.620
18 HD23 LEU 2 3HD2 LEU 2 -7.283 14.073 2.228
19 H TYR 3 H TYR 3 -4.173 11.301 0.749
20 HA TYR 3 HA TYR 3 -4.874 8.675 -0.067
21 HB2 TYR 3 2HB TYR 3 -3.732 11.010 -1.617
22 HB3 TYR 3 1HB TYR 3 -4.346 9.526 -2.352
23 HD1 TYR 3 2HD TYR 3 -6.440 9.640 0.198
24 HD2 TYR 3 1HD TYR 3 -5.540 12.030 -3.199
25 HE1 TYR 3 2HE TYR 3 -8.705 10.499 0.241
26 HE2 TYR 3 1HE TYR 3 -7.828 12.925 -3.167
27 HH TYR 3 HH TYR 3 -9.992 12.370 -0.534
28 H LYS 4 H LYS 4 -2.132 9.962 1.150
29 HA LYS 4 HA LYS 4 -0.286 8.255 -0.268
30 HB2 LYS 4 2HB LYS 4 1.394 9.505 0.687
31 HB3 LYS 4 1HB LYS 4 0.084 10.674 0.769
32 HG2 LYS 4 2HG LYS 4 0.744 8.842 3.061
33 HG3 LYS 4 1HG LYS 4 1.517 10.410 2.839
34 HD2 LYS 4 2HD LYS 4 -1.435 9.890 3.187
35 HD3 LYS 4 1HD LYS 4 -0.352 10.617 4.370
36 HE2 LYS 4 2HE LYS 4 -1.461 11.757 1.844
37 HE3 LYS 4 1HE LYS 4 -1.387 12.465 3.456
38 HZ1 LYS 4 1HZ LYS 4 0.230 13.631 2.347
39 HZ2 LYS 4 2HZ LYS 4 0.723 12.313 1.411
40 HZ3 LYS 4 3HZ LYS 4 1.151 12.396 3.045
41 H LYS 5 H LYS 5 -2.373 8.301 2.325
42 HA LYS 5 HA LYS 5 -1.173 6.298 3.941
43 HB2 LYS 5 2HB LYS 5 -2.670 7.413 5.242
44 HB3 LYS 5 1HB LYS 5 -3.645 7.879 3.853
45 HG2 LYS 5 2HG LYS 5 -3.909 5.088 4.186
46 HG3 LYS 5 1HG LYS 5 -4.141 5.849 5.761
47 HD2 LYS 5 2HD LYS 5 -6.026 6.966 5.105
48 HD3 LYS 5 1HD LYS 5 -5.466 7.137 3.441
49 HE2 LYS 5 2HE LYS 5 -7.116 5.631 3.089
50 HE3 LYS 5 1HE LYS 5 -5.811 4.506 3.463
51 HZ1 LYS 5 1HZ LYS 5 -8.094 4.291 4.650
52 HZ2 LYS 5 2HZ LYS 5 -7.499 5.525 5.644
53 HZ3 LYS 5 3HZ LYS 5 -6.668 4.057 5.531
54 H PHE 6 H PHE 6 -4.152 6.308 2.028
55 HA PHE 6 HA PHE 6 -4.386 3.555 2.036
56 HB2 PHE 6 2HB PHE 6 -5.974 3.729 0.178
57 HB3 PHE 6 1HB PHE 6 -6.323 4.771 1.534
58 HD1 PHE 6 2HD PHE 6 -3.952 5.483 -1.249
59 HD2 PHE 6 1HD PHE 6 -7.692 6.281 0.603
60 HE1 PHE 6 2HE PHE 6 -4.296 7.379 -2.768
61 HE2 PHE 6 1HE PHE 6 -8.049 8.168 -0.911
62 HZ PHE 6 HZ PHE 6 -6.352 8.715 -2.589
63 H LYS 7 H LYS 7 -2.387 5.571 0.101
64 HA LYS 7 HA LYS 7 -1.882 3.602 -1.898
65 HB2 LYS 7 2HB LYS 7 -0.254 5.013 -2.733
66 HB3 LYS 7 1HB LYS 7 -1.305 6.160 -1.915
67 HG2 LYS 7 2HG LYS 7 0.721 6.872 -1.157
68 HG3 LYS 7 1HG LYS 7 0.325 5.697 0.092
69 HD2 LYS 7 2HD LYS 7 1.570 4.230 -1.931
70 HD3 LYS 7 1HD LYS 7 2.517 5.711 -1.772
71 HE2 LYS 7 2HE LYS 7 1.820 4.684 0.824
72 HE3 LYS 7 1HE LYS 7 2.610 3.433 -0.140
73 HZ1 LYS 7 1HZ LYS 7 3.695 5.900 0.934
74 HZ2 LYS 7 2HZ LYS 7 4.185 5.523 -0.640
75 HZ3 LYS 7 3HZ LYS 7 4.461 4.424 0.617
76 H LYS 8 H LYS 8 -0.773 4.298 1.316
77 HA LYS 8 HA LYS 8 1.522 2.735 1.401
78 HB2 LYS 8 2HB LYS 8 1.564 3.449 3.517
79 HB3 LYS 8 1HB LYS 8 -0.003 4.182 3.256
80 HG2 LYS 8 2HG LYS 8 -0.062 1.316 3.920
81 HG3 LYS 8 1HG LYS 8 0.553 2.375 5.181
82 HD2 LYS 8 2HD LYS 8 -1.508 3.761 4.913
83 HD3 LYS 8 1HD LYS 8 -2.122 2.531 3.807
84 HE2 LYS 8 2HE LYS 8 -1.849 0.856 5.625
85 HE3 LYS 8 1HE LYS 8 -1.432 2.177 6.717
86 HZ1 LYS 8 1HZ LYS 8 -3.581 2.524 7.049
87 HZ2 LYS 8 2HZ LYS 8 -3.979 1.264 5.993
88 HZ3 LYS 8 3HZ LYS 8 -3.816 2.841 5.403
89 H LYS 9 H LYS 9 -1.830 1.943 1.859
90 HA LYS 9 HA LYS 9 -1.371 -0.832 2.335
91 HB2 LYS 9 2HB LYS 9 -3.478 -0.698 3.057
92 HB3 LYS 9 1HB LYS 9 -3.567 0.954 2.477
93 HG2 LYS 9 2HG LYS 9 -5.176 0.304 1.104
94 HG3 LYS 9 1HG LYS 9 -3.984 -0.631 0.208
95 HD2 LYS 9 2HD LYS 9 -5.571 -1.622 2.571
96 HD3 LYS 9 1HD LYS 9 -5.925 -1.981 0.881
97 HE2 LYS 9 2HE LYS 9 -4.379 -3.589 0.803
98 HE3 LYS 9 1HE LYS 9 -3.170 -2.575 1.590
99 HZ1 LYS 9 1HZ LYS 9 -3.418 -3.979 3.289
100 HZ2 LYS 9 2HZ LYS 9 -4.884 -4.595 2.714
101 HZ3 LYS 9 3HZ LYS 9 -4.863 -3.160 3.609
102 H LEU 10 H LEU 10 -2.024 1.162 -0.434
103 HA LEU 10 HA LEU 10 -2.393 -1.029 -2.245
104 HB2 LEU 10 2HB LEU 10 -3.388 1.148 -2.726
105 HB3 LEU 10 1HB LEU 10 -1.797 1.887 -2.747
106 HG LEU 10 HG LEU 10 -2.022 -0.321 -4.636
107 HD11 LEU 10 1HD1 LEU 10 -3.739 2.101 -5.136
108 HD12 LEU 10 2HD1 LEU 10 -4.370 0.530 -4.643
109 HD13 LEU 10 3HD1 LEU 10 -3.530 0.701 -6.186
110 HD21 LEU 10 1HD2 LEU 10 -1.385 1.798 -6.111
111 HD22 LEU 10 2HD2 LEU 10 -0.210 0.980 -5.082
112 HD23 LEU 10 3HD2 LEU 10 -0.994 2.457 -4.523
113 H LEU 11 H LEU 11 0.268 0.434 -0.774
114 HA LEU 11 HA LEU 11 2.177 -0.084 -2.841
115 HB2 LEU 11 2HB LEU 11 3.720 0.929 -1.500
116 HB3 LEU 11 1HB LEU 11 2.274 1.559 -0.738
117 HG LEU 11 HG LEU 11 2.502 -0.499 0.839
118 HD11 LEU 11 1HD1 LEU 11 5.043 -0.540 -0.661
119 HD12 LEU 11 2HD1 LEU 11 4.160 -1.850 0.118
120 HD13 LEU 11 3HD1 LEU 11 5.150 -0.754 1.089
121 HD21 LEU 11 1HD2 LEU 11 2.800 1.357 2.057
122 HD22 LEU 11 2HD2 LEU 11 3.824 2.116 0.839
123 HD23 LEU 11 3HD2 LEU 11 4.510 0.938 1.959
124 H LYS 12 H LYS 12 1.102 -1.644 0.082
125 HA LYS 12 HA LYS 12 2.922 -3.783 0.102
126 HB2 LYS 12 2HB LYS 12 1.816 -3.983 2.051
127 HB3 LYS 12 1HB LYS 12 0.491 -2.998 1.463
128 HG2 LYS 12 2HG LYS 12 0.489 -5.770 0.489
129 HG3 LYS 12 1HG LYS 12 0.288 -5.582 2.227
130 HD2 LYS 12 2HD LYS 12 -1.539 -3.926 1.749
131 HD3 LYS 12 1HD LYS 12 -1.418 -4.382 0.051
132 HE2 LYS 12 2HE LYS 12 -1.700 -6.592 1.991
133 HE3 LYS 12 1HE LYS 12 -3.109 -5.553 1.767
134 HZ1 LYS 12 1HZ LYS 12 -3.038 -5.996 -0.598
135 HZ2 LYS 12 2HZ LYS 12 -3.122 -7.455 0.253
136 HZ3 LYS 12 3HZ LYS 12 -1.652 -6.949 -0.415
137 H SER 13 H SER 13 -0.372 -3.575 -1.154
138 HA SER 13 HA SER 13 -0.360 -6.083 -2.485
139 HB2 SER 13 2HB SER 13 -2.225 -4.034 -1.951
140 HB3 SER 13 1HB SER 13 -2.152 -4.180 -3.707
141 HG SER 13 HG SER 13 -3.635 -5.662 -3.048
142 H LEU 14 H LEU 14 0.195 -2.738 -3.469
143 HA LEU 14 HA LEU 14 0.350 -2.735 -6.130
144 HB2 LEU 14 2HB LEU 14 1.091 -0.760 -5.279
145 HB3 LEU 14 1HB LEU 14 2.001 -1.537 -4.001
146 HG LEU 14 HG LEU 14 3.198 -1.985 -6.608
147 HD11 LEU 14 1HD1 LEU 14 4.062 0.536 -6.424
148 HD12 LEU 14 2HD1 LEU 14 2.412 0.759 -5.844
149 HD13 LEU 14 3HD1 LEU 14 2.702 0.061 -7.437
150 HD21 LEU 14 1HD2 LEU 14 4.156 -0.768 -4.020
151 HD22 LEU 14 2HD2 LEU 14 5.190 -1.122 -5.404
152 HD23 LEU 14 3HD2 LEU 14 4.375 -2.433 -4.552
153 H LYS 15 H LYS 15 3.073 -3.848 -4.114
154 HA LYS 15 HA LYS 15 4.205 -5.177 -6.432
155 HB2 LYS 15 2HB LYS 15 5.649 -3.838 -4.940
156 HB3 LYS 15 1HB LYS 15 5.303 -4.953 -3.626
157 HG2 LYS 15 2HG LYS 15 6.241 -6.350 -5.973
158 HG3 LYS 15 1HG LYS 15 7.384 -5.107 -5.458
159 HD2 LYS 15 2HD LYS 15 8.034 -6.339 -3.715
160 HD3 LYS 15 1HD LYS 15 6.367 -6.571 -3.186
161 HE2 LYS 15 2HE LYS 15 7.259 -8.730 -3.606
162 HE3 LYS 15 1HE LYS 15 6.169 -8.360 -4.941
163 HZ1 LYS 15 1HZ LYS 15 8.553 -9.323 -5.360
164 HZ2 LYS 15 2HZ LYS 15 9.005 -7.696 -5.245
165 HZ3 LYS 15 3HZ LYS 15 7.880 -8.181 -6.413
166 H ARG 16 H ARG 16 4.200 -6.382 -3.057
167 HA ARG 16 HA ARG 16 3.492 -8.988 -4.158
168 HB2 ARG 16 2HB ARG 16 5.447 -8.318 -2.403
169 HB3 ARG 16 1HB ARG 16 4.188 -8.864 -1.308
170 HG2 ARG 16 2HG ARG 16 5.266 -10.449 -3.626
171 HG3 ARG 16 1HG ARG 16 5.729 -10.656 -1.935
172 HD2 ARG 16 2HD ARG 16 2.839 -10.781 -2.655
173 HD3 ARG 16 1HD ARG 16 3.866 -12.162 -3.033
174 HE ARG 16 HE ARG 16 3.063 -11.246 -0.409
175 HH11 ARG 16 1HH1 ARG 16 5.186 -13.296 -2.279
176 HH12 ARG 16 2HH1 ARG 16 5.656 -14.257 -0.919
177 HH21 ARG 16 1HH2 ARG 16 3.675 -12.505 1.372
178 HH22 ARG 16 2HH2 ARG 16 4.798 -13.805 1.161
179 H LEU 17 H LEU 17 2.853 -7.756 -0.970
180 HA LEU 17 HA LEU 17 0.277 -7.163 -0.790
181 HB2 LEU 17 2HB LEU 17 -1.001 -8.876 -1.429
182 HB3 LEU 17 1HB LEU 17 0.413 -9.856 -1.730
183 HG LEU 17 HG LEU 17 0.366 -10.476 0.734
184 HD11 LEU 17 1HD1 LEU 17 -1.318 -9.854 2.100
185 HD12 LEU 17 2HD1 LEU 17 -2.517 -9.889 0.809
186 HD13 LEU 17 3HD1 LEU 17 -1.457 -8.492 0.986
187 HD21 LEU 17 1HD2 LEU 17 -1.289 -12.201 0.385
188 HD22 LEU 17 2HD2 LEU 17 -0.361 -11.957 -1.096
189 HD23 LEU 17 3HD2 LEU 17 -1.990 -11.295 -0.955
190 H GLY 18 H GLY 18 2.954 -8.934 0.443
191 HA2 GLY 18 2HA GLY 18 2.613 -7.797 3.044
192 HA3 GLY 18 1HA GLY 18 2.318 -9.530 3.031
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 -3.331 14.473 5.762
2 H2 ALA 1 2HT ALA 1 -3.424 13.875 4.156
3 H3 ALA 1 3HT ALA 1 -1.901 14.277 4.838
4 HA ALA 1 HA ALA 1 -1.885 12.056 5.028
5 HB1 ALA 1 1HB ALA 1 -1.811 13.400 7.264
6 HB2 ALA 1 2HB ALA 1 -1.871 11.638 7.291
7 HB3 ALA 1 3HB ALA 1 -3.336 12.575 7.585
8 H LEU 2 H LEU 2 -3.073 10.768 3.745
9 HA LEU 2 HA LEU 2 -5.264 9.362 4.701
10 HB2 LEU 2 2HB LEU 2 -6.472 11.490 4.416
11 HB3 LEU 2 1HB LEU 2 -6.036 11.488 2.718
12 HG LEU 2 HG LEU 2 -7.365 9.515 2.324
13 HD11 LEU 2 1HD1 LEU 2 -8.916 8.942 4.416
14 HD12 LEU 2 2HD1 LEU 2 -7.463 9.447 5.281
15 HD13 LEU 2 3HD1 LEU 2 -7.382 8.125 4.117
16 HD21 LEU 2 1HD2 LEU 2 -9.012 11.435 3.956
17 HD22 LEU 2 2HD2 LEU 2 -9.530 10.460 2.580
18 HD23 LEU 2 3HD2 LEU 2 -8.409 11.801 2.339
19 H TYR 3 H TYR 3 -4.877 10.713 1.475
20 HA TYR 3 HA TYR 3 -5.118 8.221 0.235
21 HB2 TYR 3 2HB TYR 3 -3.873 10.704 -0.955
22 HB3 TYR 3 1HB TYR 3 -4.658 9.389 -1.834
23 HD1 TYR 3 2HD TYR 3 -6.808 9.095 0.383
24 HD2 TYR 3 1HD TYR 3 -5.415 12.374 -1.913
25 HE1 TYR 3 2HE TYR 3 -8.941 10.159 0.688
26 HE2 TYR 3 1HE TYR 3 -7.569 13.497 -1.612
27 HH TYR 3 HH TYR 3 -9.933 12.399 0.622
28 H LYS 4 H LYS 4 -2.527 9.718 1.692
29 HA LYS 4 HA LYS 4 -0.533 8.208 0.279
30 HB2 LYS 4 2HB LYS 4 0.718 9.133 2.527
31 HB3 LYS 4 1HB LYS 4 0.623 9.997 1.003
32 HG2 LYS 4 2HG LYS 4 -1.417 10.345 3.163
33 HG3 LYS 4 1HG LYS 4 0.060 11.304 3.084
34 HD2 LYS 4 2HD LYS 4 -0.588 12.390 1.157
35 HD3 LYS 4 1HD LYS 4 -1.653 11.080 0.648
36 HE2 LYS 4 2HE LYS 4 -3.369 11.756 2.055
37 HE3 LYS 4 1HE LYS 4 -2.282 12.663 3.106
38 HZ1 LYS 4 1HZ LYS 4 -2.459 13.580 0.354
39 HZ2 LYS 4 2HZ LYS 4 -2.372 14.471 1.789
40 HZ3 LYS 4 3HZ LYS 4 -3.847 13.805 1.298
41 H LYS 5 H LYS 5 -2.570 8.076 2.992
42 HA LYS 5 HA LYS 5 -1.389 5.955 4.401
43 HB2 LYS 5 2HB LYS 5 -3.011 6.759 5.758
44 HB3 LYS 5 1HB LYS 5 -3.867 7.480 4.397
45 HG2 LYS 5 2HG LYS 5 -4.193 4.651 4.299
46 HG3 LYS 5 1HG LYS 5 -4.588 5.220 5.919
47 HD2 LYS 5 2HD LYS 5 -6.357 6.508 5.184
48 HD3 LYS 5 1HD LYS 5 -5.676 6.712 3.570
49 HE2 LYS 5 2HE LYS 5 -7.248 5.219 2.993
50 HE3 LYS 5 1HE LYS 5 -6.067 4.050 3.588
51 HZ1 LYS 5 1HZ LYS 5 -8.573 4.130 4.436
52 HZ2 LYS 5 2HZ LYS 5 -7.880 5.181 5.566
53 HZ3 LYS 5 3HZ LYS 5 -7.296 3.601 5.412
54 H PHE 6 H PHE 6 -4.038 6.097 2.053
55 HA PHE 6 HA PHE 6 -4.151 3.322 2.040
56 HB2 PHE 6 2HB PHE 6 -5.764 3.419 0.193
57 HB3 PHE 6 1HB PHE 6 -6.196 4.400 1.572
58 HD1 PHE 6 1HD PHE 6 -3.836 5.359 -1.136
59 HD2 PHE 6 2HD PHE 6 -7.681 5.834 0.617
60 HE1 PHE 6 1HE PHE 6 -4.278 7.263 -2.622
61 HE2 PHE 6 2HE PHE 6 -8.126 7.737 -0.863
62 HZ PHE 6 HZ PHE 6 -6.427 8.452 -2.471
63 H LYS 7 H LYS 7 -2.051 5.376 0.414
64 HA LYS 7 HA LYS 7 -1.583 3.480 -1.689
65 HB2 LYS 7 2HB LYS 7 0.474 4.712 -2.183
66 HB3 LYS 7 1HB LYS 7 -0.908 5.788 -2.089
67 HG2 LYS 7 2HG LYS 7 0.291 7.046 -0.745
68 HG3 LYS 7 1HG LYS 7 0.128 5.777 0.464
69 HD2 LYS 7 2HD LYS 7 2.167 4.770 -0.926
70 HD3 LYS 7 1HD LYS 7 2.433 6.488 -1.243
71 HE2 LYS 7 2HE LYS 7 1.801 5.886 1.536
72 HE3 LYS 7 1HE LYS 7 3.281 5.114 0.968
73 HZ1 LYS 7 1HZ LYS 7 3.486 7.430 1.951
74 HZ2 LYS 7 2HZ LYS 7 2.766 7.992 0.527
75 HZ3 LYS 7 3HZ LYS 7 4.241 7.167 0.459
76 H LYS 8 H LYS 8 -0.924 3.856 1.631
77 HA LYS 8 HA LYS 8 1.363 2.276 2.036
78 HB2 LYS 8 2HB LYS 8 -1.155 2.327 3.721
79 HB3 LYS 8 1HB LYS 8 0.350 1.586 4.209
80 HG2 LYS 8 2HG LYS 8 -0.530 4.216 4.647
81 HG3 LYS 8 1HG LYS 8 0.999 3.476 5.117
82 HD2 LYS 8 2HD LYS 8 0.569 4.545 2.365
83 HD3 LYS 8 1HD LYS 8 1.038 5.605 3.691
84 HE2 LYS 8 2HE LYS 8 2.730 3.371 3.859
85 HE3 LYS 8 1HE LYS 8 2.669 3.802 2.152
86 HZ1 LYS 8 1HZ LYS 8 2.954 6.198 3.390
87 HZ2 LYS 8 2HZ LYS 8 4.210 5.307 2.687
88 HZ3 LYS 8 3HZ LYS 8 3.908 5.180 4.348
89 H LYS 9 H LYS 9 -1.997 1.388 2.264
90 HA LYS 9 HA LYS 9 -1.578 -1.402 2.166
91 HB2 LYS 9 2HB LYS 9 -3.755 0.298 2.531
92 HB3 LYS 9 1HB LYS 9 -4.143 -0.591 1.065
93 HG2 LYS 9 2HG LYS 9 -3.203 -2.056 3.492
94 HG3 LYS 9 1HG LYS 9 -4.881 -1.521 3.366
95 HD2 LYS 9 2HD LYS 9 -3.434 -3.258 1.366
96 HD3 LYS 9 1HD LYS 9 -4.597 -3.825 2.567
97 HE2 LYS 9 2HE LYS 9 -5.857 -1.721 1.203
98 HE3 LYS 9 1HE LYS 9 -5.062 -2.689 -0.036
99 HZ1 LYS 9 1HZ LYS 9 -6.222 -4.535 1.595
100 HZ2 LYS 9 2HZ LYS 9 -6.829 -4.007 0.107
101 HZ3 LYS 9 3HZ LYS 9 -7.372 -3.294 1.542
102 H LEU 10 H LEU 10 -1.919 0.992 -0.325
103 HA LEU 10 HA LEU 10 -2.227 -0.968 -2.414
104 HB2 LEU 10 2HB LEU 10 -3.220 1.277 -2.617
105 HB3 LEU 10 1HB LEU 10 -1.612 1.973 -2.610
106 HG LEU 10 HG LEU 10 -1.675 0.020 -4.666
107 HD11 LEU 10 1HD1 LEU 10 -3.967 0.048 -4.956
108 HD12 LEU 10 2HD1 LEU 10 -3.437 1.303 -6.074
109 HD13 LEU 10 3HD1 LEU 10 -4.112 1.746 -4.505
110 HD21 LEU 10 1HD2 LEU 10 -1.842 2.919 -5.283
111 HD22 LEU 10 2HD2 LEU 10 -0.732 1.690 -5.890
112 HD23 LEU 10 3HD2 LEU 10 -0.497 2.371 -4.281
113 H LEU 11 H LEU 11 0.318 0.006 -0.557
114 HA LEU 11 HA LEU 11 2.324 -0.166 -2.635
115 HB2 LEU 11 2HB LEU 11 3.829 0.690 -1.153
116 HB3 LEU 11 1HB LEU 11 2.356 1.315 -0.446
117 HG LEU 11 HG LEU 11 2.447 -0.853 1.010
118 HD11 LEU 11 1HD1 LEU 11 4.161 -2.167 0.362
119 HD12 LEU 11 2HD1 LEU 11 5.091 -1.102 1.416
120 HD13 LEU 11 3HD1 LEU 11 5.073 -0.822 -0.325
121 HD21 LEU 11 1HD2 LEU 11 3.690 1.770 1.270
122 HD22 LEU 11 2HD2 LEU 11 4.409 0.540 2.313
123 HD23 LEU 11 3HD2 LEU 11 2.679 0.871 2.403
124 H LYS 12 H LYS 12 1.125 -2.030 0.074
125 HA LYS 12 HA LYS 12 3.008 -4.147 -0.149
126 HB2 LYS 12 2HB LYS 12 1.999 -4.709 1.771
127 HB3 LYS 12 1HB LYS 12 0.757 -3.504 1.488
128 HG2 LYS 12 2HG LYS 12 0.394 -6.064 0.059
129 HG3 LYS 12 1HG LYS 12 0.277 -6.131 1.815
130 HD2 LYS 12 2HD LYS 12 -1.500 -4.582 1.863
131 HD3 LYS 12 1HD LYS 12 -1.220 -4.094 0.192
132 HE2 LYS 12 2HE LYS 12 -1.792 -6.493 -0.435
133 HE3 LYS 12 1HE LYS 12 -2.385 -6.666 1.216
134 HZ1 LYS 12 1HZ LYS 12 -3.355 -4.410 -0.381
135 HZ2 LYS 12 2HZ LYS 12 -4.144 -5.291 0.828
136 HZ3 LYS 12 3HZ LYS 12 -3.968 -5.950 -0.719
137 H SER 13 H SER 13 -0.223 -3.576 -1.416
138 HA SER 13 HA SER 13 -0.345 -5.995 -2.931
139 HB2 SER 13 2HB SER 13 -2.349 -4.690 -2.114
140 HB3 SER 13 1HB SER 13 -1.975 -3.484 -3.347
141 HG SER 13 HG SER 13 -2.468 -6.233 -3.864
142 H LEU 14 H LEU 14 0.812 -2.753 -3.463
143 HA LEU 14 HA LEU 14 0.879 -2.579 -6.213
144 HB2 LEU 14 2HB LEU 14 1.981 -0.706 -5.705
145 HB3 LEU 14 1HB LEU 14 2.018 -1.237 -4.041
146 HG LEU 14 HG LEU 14 4.190 -2.431 -4.603
147 HD11 LEU 14 1HD1 LEU 14 5.183 -0.836 -6.608
148 HD12 LEU 14 2HD1 LEU 14 3.563 -1.229 -7.182
149 HD13 LEU 14 3HD1 LEU 14 4.691 -2.522 -6.778
150 HD21 LEU 14 1HD2 LEU 14 3.932 0.563 -4.628
151 HD22 LEU 14 2HD2 LEU 14 5.484 -0.272 -4.509
152 HD23 LEU 14 3HD2 LEU 14 4.262 -0.495 -3.254
153 H LYS 15 H LYS 15 3.243 -4.080 -4.046
154 HA LYS 15 HA LYS 15 4.623 -5.249 -6.320
155 HB2 LYS 15 2HB LYS 15 5.860 -4.199 -4.414
156 HB3 LYS 15 1HB LYS 15 5.292 -5.505 -3.388
157 HG2 LYS 15 2HG LYS 15 6.539 -6.497 -5.805
158 HG3 LYS 15 1HG LYS 15 7.618 -5.456 -4.876
159 HD2 LYS 15 2HD LYS 15 7.545 -6.837 -3.006
160 HD3 LYS 15 1HD LYS 15 6.047 -7.614 -3.520
161 HE2 LYS 15 2HE LYS 15 7.373 -8.564 -5.461
162 HE3 LYS 15 1HE LYS 15 8.819 -8.006 -4.619
163 HZ1 LYS 15 1HZ LYS 15 8.706 -10.062 -3.736
164 HZ2 LYS 15 2HZ LYS 15 7.041 -10.218 -3.984
165 HZ3 LYS 15 3HZ LYS 15 7.619 -9.332 -2.664
166 H ARG 16 H ARG 16 3.986 -6.771 -3.159
167 HA ARG 16 HA ARG 16 3.257 -9.191 -4.595
168 HB2 ARG 16 2HB ARG 16 4.903 -8.845 -2.474
169 HB3 ARG 16 1HB ARG 16 3.420 -9.313 -1.660
170 HG2 ARG 16 2HG ARG 16 4.604 -10.882 -3.931
171 HG3 ARG 16 1HG ARG 16 4.987 -11.184 -2.233
172 HD2 ARG 16 2HD ARG 16 2.142 -11.078 -3.148
173 HD3 ARG 16 1HD ARG 16 3.091 -12.545 -3.379
174 HE ARG 16 HE ARG 16 2.123 -11.457 -0.875
175 HH11 ARG 16 1HH1 ARG 16 4.282 -13.736 -2.422
176 HH12 ARG 16 2HH1 ARG 16 4.470 -14.705 -0.999
177 HH21 ARG 16 1HH2 ARG 16 2.374 -12.730 0.986
178 HH22 ARG 16 2HH2 ARG 16 3.389 -14.134 0.937
179 H LEU 17 H LEU 17 2.114 -8.119 -1.469
180 HA LEU 17 HA LEU 17 -0.346 -7.229 -1.650
181 HB2 LEU 17 2HB LEU 17 -1.564 -8.578 -2.960
182 HB3 LEU 17 1HB LEU 17 -0.354 -9.839 -2.918
183 HG LEU 17 HG LEU 17 -1.320 -10.495 -0.645
184 HD11 LEU 17 1HD1 LEU 17 -2.934 -9.251 0.226
185 HD12 LEU 17 2HD1 LEU 17 -3.967 -9.664 -1.144
186 HD13 LEU 17 3HD1 LEU 17 -2.954 -8.222 -1.207
187 HD21 LEU 17 1HD2 LEU 17 -2.690 -12.036 -1.653
188 HD22 LEU 17 2HD2 LEU 17 -1.698 -11.516 -3.016
189 HD23 LEU 17 3HD2 LEU 17 -3.328 -10.871 -2.815
190 H GLY 18 H GLY 18 1.734 -9.547 -0.214
191 HA2 GLY 18 2HA GLY 18 0.796 -8.819 2.408
192 HA3 GLY 18 1HA GLY 18 0.452 -10.489 1.986