Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
524378 | 2lbg RC | 17558 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HN LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.746 0.859 -1.229
3 HB2 LYS 1 1HB LYS 1 3.488 -1.254 -2.271
4 HB3 LYS 1 2HB LYS 1 3.650 -1.280 -0.520
5 HG2 LYS 1 1HG LYS 1 1.999 -2.838 -0.249
6 HG3 LYS 1 2HG LYS 1 1.167 -2.377 -1.736
7 HD2 LYS 1 1HD LYS 1 3.879 -3.665 -1.783
8 HD3 LYS 1 2HD LYS 1 2.401 -4.626 -1.698
9 HE2 LYS 1 1HE LYS 1 1.640 -3.807 -3.784
10 HE3 LYS 1 2HE LYS 1 2.859 -2.533 -3.810
11 HZ1 LYS 1 3HZ LYS 1 4.397 -3.917 -4.625
12 HZ2 LYS 1 1HZ LYS 1 3.088 -4.892 -5.071
13 HZ3 LYS 1 2HZ LYS 1 3.929 -5.209 -3.638
14 H HIS 2 HN HIS 2 0.198 1.635 -1.620
15 HA HIS 2 HA HIS 2 -1.072 0.286 -3.798
16 HB2 HIS 2 1HB HIS 2 -1.510 2.855 -2.333
17 HB3 HIS 2 2HB HIS 2 -2.296 2.624 -3.893
18 HD1 HIS 2 HD1 HIS 2 -1.840 -0.085 -1.300
19 HD2 HIS 2 HD2 HIS 2 -4.854 2.230 -2.979
20 HE1 HIS 2 HE1 HIS 2 -3.993 -1.052 -0.432
21 H MET 3 HN MET 3 1.735 1.927 -3.723
22 HA MET 3 HA MET 3 1.550 3.687 -5.925
23 HB2 MET 3 1HB MET 3 4.075 3.394 -5.990
24 HB3 MET 3 2HB MET 3 3.396 3.985 -4.479
25 HG2 MET 3 1HG MET 3 4.475 2.370 -3.429
26 HG3 MET 3 2HG MET 3 3.432 1.204 -4.241
27 HE1 MET 3 3HE MET 3 5.416 -0.729 -6.433
28 HE2 MET 3 1HE MET 3 5.547 -0.964 -4.690
29 HE3 MET 3 2HE MET 3 4.015 -0.452 -5.398
30 H ALA 4 HN ALA 4 2.109 0.247 -5.655
31 HA ALA 4 HA ALA 4 3.036 -0.141 -8.322
32 HB1 ALA 4 1HB ALA 4 2.079 -1.940 -6.139
33 HB2 ALA 4 2HB ALA 4 2.279 -2.573 -7.774
34 HB3 ALA 4 3HB ALA 4 3.656 -1.868 -6.927
35 H GLY 5 HN GLY 5 -0.127 -0.261 -6.759
36 HA2 GLY 5 1HA GLY 5 -1.509 -1.297 -9.033
37 HA3 GLY 5 2HA GLY 5 -2.244 -0.553 -7.620
38 H ALA 6 HN ALA 6 -1.174 1.973 -7.678
39 HA ALA 6 HA ALA 6 -2.784 3.231 -9.639
40 HB1 ALA 6 1HB ALA 6 -1.328 4.010 -7.318
41 HB2 ALA 6 2HB ALA 6 -0.909 5.097 -8.644
42 HB3 ALA 6 3HB ALA 6 -2.597 4.886 -8.176
43 H ALA 7 HN ALA 7 0.662 2.551 -9.412
44 HA ALA 7 HA ALA 7 1.424 4.119 -11.664
45 HB1 ALA 7 1HB ALA 7 2.899 1.766 -10.496
46 HB2 ALA 7 2HB ALA 7 3.569 3.080 -11.464
47 HB3 ALA 7 3HB ALA 7 2.964 3.401 -9.839
48 H ALA 8 HN ALA 8 0.605 0.709 -11.202
49 HA ALA 8 HA ALA 8 1.245 -0.140 -13.822
50 HB1 ALA 8 1HB ALA 8 -0.820 -1.387 -12.022
51 HB2 ALA 8 2HB ALA 8 0.131 -2.166 -13.287
52 HB3 ALA 8 3HB ALA 8 0.916 -1.612 -11.809
53 H ALA 9 HN ALA 9 -1.824 0.855 -12.330
54 HA ALA 9 HA ALA 9 -3.373 0.506 -14.686
55 HB1 ALA 9 1HB ALA 9 -5.075 1.858 -13.461
56 HB2 ALA 9 2HB ALA 9 -4.474 0.462 -12.565
57 HB3 ALA 9 3HB ALA 9 -3.893 2.080 -12.171
58 H GLY 10 HN GLY 10 -1.642 3.235 -13.275
59 HA2 GLY 10 1HA GLY 10 -2.686 5.180 -15.090
60 HA3 GLY 10 2HA GLY 10 -1.292 5.380 -14.040
61 H ALA 11 HN ALA 11 0.178 3.130 -15.060
62 HA ALA 11 HA ALA 11 1.469 4.402 -17.251
63 HB1 ALA 11 1HB ALA 11 1.854 1.566 -16.310
64 HB2 ALA 11 2HB ALA 11 2.991 2.558 -17.224
65 HB3 ALA 11 3HB ALA 11 2.606 2.970 -15.554
66 H VAL 12 HN VAL 12 -0.629 1.559 -16.967
67 HA VAL 12 HA VAL 12 -0.472 0.770 -19.674
68 HB VAL 12 HB VAL 12 -2.647 -0.426 -19.187
69 HG11 VAL 12 1HG1 VAL 12 -0.268 -0.834 -17.385
70 HG12 VAL 12 2HG1 VAL 12 -1.587 -1.993 -17.555
71 HG13 VAL 12 3HG1 VAL 12 -0.577 -1.595 -18.945
72 HG21 VAL 12 3HG2 VAL 12 -2.981 -0.518 -16.574
73 HG22 VAL 12 1HG2 VAL 12 -2.307 1.109 -16.661
74 HG23 VAL 12 2HG2 VAL 12 -3.776 0.715 -17.553
75 H VAL 13 HN VAL 13 -3.017 2.561 -17.931
76 HA VAL 13 HA VAL 13 -4.605 3.109 -20.180
77 HB VAL 13 HB VAL 13 -4.359 4.750 -17.654
78 HG11 VAL 13 1HG1 VAL 13 -5.709 6.151 -18.754
79 HG12 VAL 13 2HG1 VAL 13 -6.021 4.981 -20.038
80 HG13 VAL 13 3HG1 VAL 13 -6.953 4.919 -18.542
81 HG21 VAL 13 3HG2 VAL 13 -6.674 3.018 -17.882
82 HG22 VAL 13 1HG2 VAL 13 -5.161 2.112 -17.904
83 HG23 VAL 13 2HG2 VAL 13 -5.523 3.193 -16.559
84 H GLY 14 HN GLY 14 -1.944 4.907 -18.698
85 HA2 GLY 14 1HA GLY 14 -2.190 7.248 -20.253
86 HA3 GLY 14 2HA GLY 14 -0.734 6.716 -19.427
87 H GLY 15 HN GLY 15 -0.614 4.175 -20.874
88 HA2 GLY 15 1HA GLY 15 0.917 5.075 -23.106
89 HA3 GLY 15 2HA GLY 15 0.568 3.402 -22.694
90 H LEU 16 HN LEU 16 -2.117 3.222 -22.877
91 HA LEU 16 HA LEU 16 -2.524 3.181 -25.697
92 HB2 LEU 16 1HB LEU 16 -4.797 2.382 -25.107
93 HB3 LEU 16 2HB LEU 16 -3.493 1.453 -24.371
94 HG LEU 16 HG LEU 16 -4.179 3.394 -22.477
95 HD11 LEU 16 1HD1 LEU 16 -6.656 2.093 -23.596
96 HD12 LEU 16 2HD1 LEU 16 -6.239 3.797 -23.772
97 HD13 LEU 16 3HD1 LEU 16 -6.557 3.128 -22.171
98 HD21 LEU 16 3HD2 LEU 16 -4.847 1.502 -21.156
99 HD22 LEU 16 1HD2 LEU 16 -3.444 1.050 -22.125
100 HD23 LEU 16 2HD2 LEU 16 -5.055 0.512 -22.601
101 H GLY 17 HN GLY 17 -3.769 5.173 -23.049
102 HA2 GLY 17 1HA GLY 17 -5.602 6.653 -24.638
103 HA3 GLY 17 2HA GLY 17 -4.998 7.116 -23.054
104 H GLY 18 HN GLY 18 -2.243 7.225 -23.670
105 HA2 GLY 18 1HA GLY 18 -2.081 9.852 -24.724
106 HA3 GLY 18 2HA GLY 18 -0.720 8.807 -24.347
107 H TYR 19 HN TYR 19 -1.622 6.683 -26.147
108 HA TYR 19 HA TYR 19 -0.324 7.598 -28.509
109 HB2 TYR 19 1HB TYR 19 -0.103 5.284 -27.788
110 HB3 TYR 19 2HB TYR 19 -1.838 5.039 -27.953
111 HD1 TYR 19 HD2 TYR 19 -0.373 7.100 -30.501
112 HD2 TYR 19 HD1 TYR 19 -1.149 3.068 -29.387
113 HE1 TYR 19 HE2 TYR 19 -0.050 6.400 -32.836
114 HE2 TYR 19 HE1 TYR 19 -0.827 2.356 -31.719
115 HH TYR 19 HH TYR 19 -0.978 3.394 -33.999
116 H MET 20 HN MET 20 -3.628 6.338 -28.014
117 HA MET 20 HA MET 20 -4.655 6.934 -30.506
118 HB2 MET 20 1HB MET 20 -6.887 7.117 -29.272
119 HB3 MET 20 2HB MET 20 -5.995 5.612 -29.095
120 HG2 MET 20 1HG MET 20 -5.042 6.704 -26.958
121 HG3 MET 20 2HG MET 20 -6.410 7.803 -27.110
122 HE1 MET 20 3HE MET 20 -7.140 3.706 -28.008
123 HE2 MET 20 1HE MET 20 -5.497 4.272 -27.706
124 HE3 MET 20 2HE MET 20 -6.349 3.342 -26.473
125 H LEU 21 HN LEU 21 -5.076 8.936 -27.579
126 HA LEU 21 HA LEU 21 -6.163 11.150 -28.920
127 HB2 LEU 21 1HB LEU 21 -5.508 10.447 -26.273
128 HB3 LEU 21 2HB LEU 21 -4.692 11.974 -26.603
129 HG LEU 21 HG LEU 21 -6.813 12.426 -25.581
130 HD11 LEU 21 1HD1 LEU 21 -5.993 13.854 -27.489
131 HD12 LEU 21 2HD1 LEU 21 -7.719 13.951 -27.144
132 HD13 LEU 21 3HD1 LEU 21 -7.146 13.000 -28.514
133 HD21 LEU 21 3HD2 LEU 21 -8.728 11.341 -26.009
134 HD22 LEU 21 1HD2 LEU 21 -7.689 10.143 -26.780
135 HD23 LEU 21 2HD2 LEU 21 -8.478 11.383 -27.755
136 H GLY 22 HN GLY 22 -2.892 10.084 -28.500
137 HA2 GLY 22 1HA GLY 22 -1.633 12.594 -29.024
138 HA3 GLY 22 2HA GLY 22 -0.867 11.013 -29.086
139 H SER 23 HN SER 23 -2.089 9.690 -31.043
140 HA SER 23 HA SER 23 -1.108 10.994 -33.391
141 HB2 SER 23 1HB SER 23 -0.852 8.834 -33.942
142 HB3 SER 23 2HB SER 23 -1.907 8.322 -32.625
143 HG SER 23 HG SER 23 -3.494 8.102 -33.992
144 H ALA 24 HN ALA 24 -4.226 10.549 -31.918
145 HA ALA 24 HA ALA 24 -5.842 11.082 -34.173
146 HB1 ALA 24 1HB ALA 24 -6.646 10.060 -32.058
147 HB2 ALA 24 2HB ALA 24 -6.506 11.640 -31.286
148 HB3 ALA 24 3HB ALA 24 -7.641 11.406 -32.615
149 H MET 25 HN MET 25 -4.521 13.187 -31.639
150 HA MET 25 HA MET 25 -5.698 15.553 -32.776
151 HB2 MET 25 1HB MET 25 -4.355 14.836 -30.337
152 HB3 MET 25 2HB MET 25 -3.612 16.278 -31.018
153 HG2 MET 25 1HG MET 25 -6.216 16.912 -31.278
154 HG3 MET 25 2HG MET 25 -6.277 15.892 -29.842
155 HE1 MET 25 3HE MET 25 -6.399 16.676 -27.907
156 HE2 MET 25 1HE MET 25 -4.754 16.900 -27.309
157 HE3 MET 25 2HE MET 25 -5.903 18.236 -27.249
158 H SER 26 HN SER 26 -2.705 13.826 -33.068
159 HA SER 26 HA SER 26 -1.177 15.974 -34.163
160 HB2 SER 26 1HB SER 26 0.227 14.346 -33.334
161 HB3 SER 26 2HB SER 26 -0.817 13.026 -33.862
162 HG SER 26 HG SER 26 -0.034 13.218 -35.905
163 H ARG 27 HN ARG 27 -3.286 13.511 -35.471
164 HA ARG 27 HA ARG 27 -3.117 14.820 -38.085
165 HB2 ARG 27 1HB ARG 27 -2.900 12.770 -39.283
166 HB3 ARG 27 2HB ARG 27 -1.641 12.782 -38.054
167 HG2 ARG 27 1HG ARG 27 -3.907 11.549 -36.909
168 HG3 ARG 27 2HG ARG 27 -3.679 10.851 -38.514
169 HD2 ARG 27 1HD ARG 27 -1.354 11.182 -36.660
170 HD3 ARG 27 2HD ARG 27 -2.449 9.812 -36.477
171 HE ARG 27 HE ARG 27 -1.772 9.803 -39.122
172 HH11 ARG 27 1HH1 ARG 27 -0.005 9.723 -36.124
173 HH12 ARG 27 2HH1 ARG 27 1.313 8.806 -36.774
174 HH21 ARG 27 1HH2 ARG 27 -0.043 8.595 -39.990
175 HH22 ARG 27 2HH2 ARG 27 1.291 8.165 -38.973
Start of MODEL 2
1 H1 LYS 1 HN LYS 1 2.787 1.779 0.209
2 HA LYS 1 HA LYS 1 3.472 -0.089 -1.595
3 HB2 LYS 1 1HB LYS 1 2.420 -0.334 0.775
4 HB3 LYS 1 2HB LYS 1 0.901 -0.485 -0.098
5 HG2 LYS 1 1HG LYS 1 2.094 -2.322 -1.442
6 HG3 LYS 1 2HG LYS 1 3.277 -2.303 -0.132
7 HD2 LYS 1 1HD LYS 1 1.731 -3.980 0.452
8 HD3 LYS 1 2HD LYS 1 1.301 -2.586 1.447
9 HE2 LYS 1 1HE LYS 1 -0.092 -2.450 -1.050
10 HE3 LYS 1 2HE LYS 1 -0.345 -4.036 -0.324
11 HZ1 LYS 1 3HZ LYS 1 -0.638 -2.302 1.756
12 HZ2 LYS 1 1HZ LYS 1 -1.894 -3.042 0.898
13 HZ3 LYS 1 2HZ LYS 1 -1.378 -1.490 0.469
14 H HIS 2 HN HIS 2 0.574 1.859 -1.701
15 HA HIS 2 HA HIS 2 -0.722 0.347 -3.752
16 HB2 HIS 2 1HB HIS 2 -1.244 2.801 -2.235
17 HB3 HIS 2 2HB HIS 2 -1.812 2.871 -3.901
18 HD1 HIS 2 HD1 HIS 2 -4.057 1.906 -4.292
19 HD2 HIS 2 HD2 HIS 2 -2.299 0.390 -0.847
20 HE1 HIS 2 HE1 HIS 2 -5.805 0.439 -3.235
21 H MET 3 HN MET 3 2.049 2.048 -3.858
22 HA MET 3 HA MET 3 1.775 3.660 -6.158
23 HB2 MET 3 1HB MET 3 4.296 3.413 -6.281
24 HB3 MET 3 2HB MET 3 3.656 4.061 -4.777
25 HG2 MET 3 1HG MET 3 4.826 2.523 -3.705
26 HG3 MET 3 2HG MET 3 3.748 1.308 -4.389
27 HE1 MET 3 3HE MET 3 4.231 -0.368 -5.430
28 HE2 MET 3 1HE MET 3 5.111 -0.381 -6.959
29 HE3 MET 3 2HE MET 3 5.882 -0.986 -5.493
30 H ALA 4 HN ALA 4 2.267 0.249 -5.706
31 HA ALA 4 HA ALA 4 3.213 -0.330 -8.328
32 HB1 ALA 4 1HB ALA 4 3.368 -2.455 -7.611
33 HB2 ALA 4 2HB ALA 4 3.084 -1.742 -6.023
34 HB3 ALA 4 3HB ALA 4 1.744 -2.453 -6.923
35 H GLY 5 HN GLY 5 0.015 -0.276 -6.818
36 HA2 GLY 5 1HA GLY 5 -1.352 -1.337 -9.092
37 HA3 GLY 5 2HA GLY 5 -2.093 -0.542 -7.710
38 H ALA 6 HN ALA 6 -0.936 1.952 -7.812
39 HA ALA 6 HA ALA 6 -2.492 3.216 -9.809
40 HB1 ALA 6 1HB ALA 6 -1.009 4.002 -7.509
41 HB2 ALA 6 2HB ALA 6 -0.544 5.034 -8.862
42 HB3 ALA 6 3HB ALA 6 -2.240 4.904 -8.394
43 H ALA 7 HN ALA 7 0.928 2.417 -9.565
44 HA ALA 7 HA ALA 7 1.741 3.893 -11.860
45 HB1 ALA 7 1HB ALA 7 3.848 2.774 -11.637
46 HB2 ALA 7 2HB ALA 7 3.265 3.187 -10.024
47 HB3 ALA 7 3HB ALA 7 3.132 1.529 -10.612
48 H ALA 8 HN ALA 8 0.809 0.528 -11.300
49 HA ALA 8 HA ALA 8 1.415 -0.419 -13.893
50 HB1 ALA 8 1HB ALA 8 1.037 -1.819 -11.839
51 HB2 ALA 8 2HB ALA 8 -0.691 -1.540 -12.059
52 HB3 ALA 8 3HB ALA 8 0.230 -2.387 -13.301
53 H ALA 9 HN ALA 9 -1.617 0.725 -12.434
54 HA ALA 9 HA ALA 9 -3.180 0.362 -14.777
55 HB1 ALA 9 1HB ALA 9 -4.165 0.462 -12.538
56 HB2 ALA 9 2HB ALA 9 -3.697 2.158 -12.410
57 HB3 ALA 9 3HB ALA 9 -4.881 1.659 -13.618
58 H GLY 10 HN GLY 10 -1.344 3.067 -13.459
59 HA2 GLY 10 1HA GLY 10 -2.318 4.989 -15.338
60 HA3 GLY 10 2HA GLY 10 -0.918 5.173 -14.293
61 H ALA 11 HN ALA 11 0.471 2.839 -15.234
62 HA ALA 11 HA ALA 11 1.809 3.989 -17.464
63 HB1 ALA 11 1HB ALA 11 2.059 1.242 -16.244
64 HB2 ALA 11 2HB ALA 11 3.161 1.931 -17.437
65 HB3 ALA 11 3HB ALA 11 3.020 2.665 -15.839
66 H VAL 12 HN VAL 12 -0.385 1.229 -17.090
67 HA VAL 12 HA VAL 12 -0.258 0.352 -19.771
68 HB VAL 12 HB VAL 12 -2.478 -0.750 -19.244
69 HG11 VAL 12 1HG1 VAL 12 -0.098 -1.198 -17.451
70 HG12 VAL 12 2HG1 VAL 12 -1.460 -2.313 -17.581
71 HG13 VAL 12 3HG1 VAL 12 -0.449 -1.987 -18.989
72 HG21 VAL 12 3HG2 VAL 12 -2.101 0.895 -16.811
73 HG22 VAL 12 1HG2 VAL 12 -3.583 0.389 -17.622
74 HG23 VAL 12 2HG2 VAL 12 -2.716 -0.742 -16.583
75 H VAL 13 HN VAL 13 -2.742 2.277 -18.084
76 HA VAL 13 HA VAL 13 -4.316 2.807 -20.345
77 HB VAL 13 HB VAL 13 -4.006 4.509 -17.867
78 HG11 VAL 13 1HG1 VAL 13 -6.591 4.757 -18.777
79 HG12 VAL 13 2HG1 VAL 13 -5.299 5.939 -18.995
80 HG13 VAL 13 3HG1 VAL 13 -5.641 4.760 -20.262
81 HG21 VAL 13 3HG2 VAL 13 -6.163 2.486 -18.395
82 HG22 VAL 13 1HG2 VAL 13 -4.657 2.058 -17.583
83 HG23 VAL 13 2HG2 VAL 13 -5.730 3.263 -16.872
84 H GLY 14 HN GLY 14 -1.591 4.561 -18.929
85 HA2 GLY 14 1HA GLY 14 -1.764 6.858 -20.559
86 HA3 GLY 14 2HA GLY 14 -0.323 6.304 -19.719
87 H GLY 15 HN GLY 15 -0.291 3.715 -21.081
88 HA2 GLY 15 1HA GLY 15 1.261 4.489 -23.345
89 HA3 GLY 15 2HA GLY 15 0.859 2.844 -22.877
90 H LEU 16 HN LEU 16 -1.831 2.745 -23.049
91 HA LEU 16 HA LEU 16 -2.248 2.625 -25.864
92 HB2 LEU 16 1HB LEU 16 -4.545 1.922 -25.243
93 HB3 LEU 16 2HB LEU 16 -3.269 0.974 -24.480
94 HG LEU 16 HG LEU 16 -3.884 2.999 -22.650
95 HD11 LEU 16 1HD1 LEU 16 -5.935 3.424 -23.949
96 HD12 LEU 16 2HD1 LEU 16 -6.269 2.816 -22.328
97 HD13 LEU 16 3HD1 LEU 16 -6.406 1.740 -23.719
98 HD21 LEU 16 3HD2 LEU 16 -4.853 0.144 -22.674
99 HD22 LEU 16 1HD2 LEU 16 -4.606 1.174 -21.264
100 HD23 LEU 16 2HD2 LEU 16 -3.223 0.644 -22.222
101 H GLY 17 HN GLY 17 -3.418 4.743 -23.281
102 HA2 GLY 17 1HA GLY 17 -5.207 6.229 -24.915
103 HA3 GLY 17 2HA GLY 17 -4.583 6.725 -23.348
104 H GLY 18 HN GLY 18 -1.828 6.722 -23.975
105 HA2 GLY 18 1HA GLY 18 -1.584 9.307 -25.115
106 HA3 GLY 18 2HA GLY 18 -0.256 8.230 -24.707
107 H TYR 19 HN TYR 19 -1.233 6.079 -26.433
108 HA TYR 19 HA TYR 19 0.086 6.871 -28.828
109 HB2 TYR 19 1HB TYR 19 0.233 4.577 -28.030
110 HB3 TYR 19 2HB TYR 19 -1.509 4.383 -28.183
111 HD1 TYR 19 HD1 TYR 19 0.014 6.311 -30.801
112 HD2 TYR 19 HD2 TYR 19 -0.891 2.345 -29.554
113 HE1 TYR 19 HE1 TYR 19 0.308 5.524 -33.112
114 HE2 TYR 19 HE2 TYR 19 -0.598 1.547 -31.861
115 HH TYR 19 HH TYR 19 -0.351 3.678 -34.526
116 H MET 20 HN MET 20 -3.256 5.737 -28.282
117 HA MET 20 HA MET 20 -4.272 6.283 -30.791
118 HB2 MET 20 1HB MET 20 -6.492 6.579 -29.559
119 HB3 MET 20 2HB MET 20 -5.649 5.052 -29.333
120 HG2 MET 20 1HG MET 20 -4.654 6.185 -27.236
121 HG3 MET 20 2HG MET 20 -5.987 7.321 -27.422
122 HE1 MET 20 3HE MET 20 -5.187 3.744 -27.900
123 HE2 MET 20 1HE MET 20 -6.071 2.881 -26.641
124 HE3 MET 20 2HE MET 20 -6.849 3.226 -28.186
125 H LEU 21 HN LEU 21 -4.618 8.394 -27.931
126 HA LEU 21 HA LEU 21 -5.638 10.596 -29.341
127 HB2 LEU 21 1HB LEU 21 -4.999 9.960 -26.675
128 HB3 LEU 21 2HB LEU 21 -4.130 11.445 -27.055
129 HG LEU 21 HG LEU 21 -6.312 12.434 -27.787
130 HD11 LEU 21 1HD1 LEU 21 -7.223 9.877 -27.789
131 HD12 LEU 21 2HD1 LEU 21 -8.250 11.309 -27.738
132 HD13 LEU 21 3HD1 LEU 21 -7.841 10.465 -26.245
133 HD21 LEU 21 3HD2 LEU 21 -6.294 11.484 -24.927
134 HD22 LEU 21 1HD2 LEU 21 -7.035 12.950 -25.569
135 HD23 LEU 21 2HD2 LEU 21 -5.278 12.789 -25.542
136 H GLY 22 HN GLY 22 -2.401 9.439 -28.894
137 HA2 GLY 22 1HA GLY 22 -1.063 11.888 -29.505
138 HA3 GLY 22 2HA GLY 22 -0.349 10.282 -29.516
139 H SER 23 HN SER 23 -1.620 8.935 -31.425
140 HA SER 23 HA SER 23 -0.606 10.128 -33.818
141 HB2 SER 23 1HB SER 23 -0.423 7.945 -34.298
142 HB3 SER 23 2HB SER 23 -1.487 7.511 -32.961
143 HG SER 23 HG SER 23 -2.753 6.932 -34.553
144 H ALA 24 HN ALA 24 -3.732 9.834 -32.323
145 HA ALA 24 HA ALA 24 -5.337 10.344 -34.590
146 HB1 ALA 24 1HB ALA 24 -6.166 9.419 -32.439
147 HB2 ALA 24 2HB ALA 24 -5.973 11.020 -31.722
148 HB3 ALA 24 3HB ALA 24 -7.119 10.776 -33.040
149 H MET 25 HN MET 25 -3.940 12.488 -32.130
150 HA MET 25 HA MET 25 -5.044 14.852 -33.342
151 HB2 MET 25 1HB MET 25 -3.714 14.173 -30.884
152 HB3 MET 25 2HB MET 25 -2.930 15.568 -31.614
153 HG2 MET 25 1HG MET 25 -4.676 16.920 -31.227
154 HG3 MET 25 2HG MET 25 -5.862 15.665 -31.583
155 HE1 MET 25 3HE MET 25 -3.715 16.624 -27.730
156 HE2 MET 25 1HE MET 25 -3.117 15.098 -28.380
157 HE3 MET 25 2HE MET 25 -3.040 16.563 -29.359
158 H SER 26 HN SER 26 -2.109 13.020 -33.584
159 HA SER 26 HA SER 26 -0.516 15.081 -34.753
160 HB2 SER 26 1HB SER 26 0.609 13.245 -33.681
161 HB3 SER 26 2HB SER 26 -0.218 12.071 -34.704
162 HG SER 26 HG SER 26 1.001 12.681 -36.410
163 H ARG 27 HN ARG 27 -2.709 12.646 -35.974
164 HA ARG 27 HA ARG 27 -3.497 12.172 -38.057
165 HB2 ARG 27 1HB ARG 27 -2.940 15.119 -38.213
166 HB3 ARG 27 2HB ARG 27 -3.558 14.249 -39.610
167 HG2 ARG 27 1HG ARG 27 -5.555 14.807 -38.765
168 HG3 ARG 27 2HG ARG 27 -5.286 13.421 -37.707
169 HD2 ARG 27 1HD ARG 27 -4.601 14.776 -35.922
170 HD3 ARG 27 2HD ARG 27 -4.334 16.169 -36.969
171 HE ARG 27 HE ARG 27 -7.045 15.457 -37.077
172 HH11 ARG 27 1HH1 ARG 27 -4.718 16.801 -34.864
173 HH12 ARG 27 2HH1 ARG 27 -5.892 17.719 -33.981
174 HH21 ARG 27 1HH2 ARG 27 -8.601 16.661 -35.922
175 HH22 ARG 27 2HH2 ARG 27 -8.101 17.638 -34.584
Start of MODEL 3
1 H1 LYS 1 HN LYS 1 3.019 1.468 0.181
2 HA LYS 1 HA LYS 1 3.433 -0.536 -1.542
3 HB2 LYS 1 1HB LYS 1 1.637 -1.799 -0.469
4 HB3 LYS 1 2HB LYS 1 2.538 -0.866 0.719
5 HG2 LYS 1 1HG LYS 1 0.473 -0.333 1.434
6 HG3 LYS 1 2HG LYS 1 0.591 0.889 0.166
7 HD2 LYS 1 1HD LYS 1 -1.422 -0.027 -0.393
8 HD3 LYS 1 2HD LYS 1 -0.360 -1.094 -1.316
9 HE2 LYS 1 1HE LYS 1 -0.966 -1.843 1.491
10 HE3 LYS 1 2HE LYS 1 -2.258 -2.018 0.305
11 HZ1 LYS 1 3HZ LYS 1 -0.116 -3.737 0.766
12 HZ2 LYS 1 1HZ LYS 1 0.121 -3.061 -0.768
13 HZ3 LYS 1 2HZ LYS 1 -1.321 -3.873 -0.414
14 H HIS 2 HN HIS 2 0.685 1.665 -1.657
15 HA HIS 2 HA HIS 2 -0.653 0.288 -3.775
16 HB2 HIS 2 1HB HIS 2 -1.005 2.875 -2.341
17 HB3 HIS 2 2HB HIS 2 -1.759 2.710 -3.924
18 HD1 HIS 2 HD1 HIS 2 -2.853 -0.085 -3.862
19 HD2 HIS 2 HD2 HIS 2 -3.011 2.458 -0.580
20 HE1 HIS 2 HE1 HIS 2 -4.734 -0.947 -2.433
21 H MET 3 HN MET 3 2.206 1.838 -3.786
22 HA MET 3 HA MET 3 2.052 3.531 -6.042
23 HB2 MET 3 1HB MET 3 4.564 3.155 -6.126
24 HB3 MET 3 2HB MET 3 3.924 3.812 -4.625
25 HG2 MET 3 1HG MET 3 4.972 2.197 -3.544
26 HG3 MET 3 2HG MET 3 3.872 1.044 -4.296
27 HE1 MET 3 3HE MET 3 5.902 -1.210 -4.695
28 HE2 MET 3 1HE MET 3 4.376 -0.675 -5.399
29 HE3 MET 3 2HE MET 3 5.749 -1.041 -6.444
30 H ALA 4 HN ALA 4 2.498 0.085 -5.667
31 HA ALA 4 HA ALA 4 3.380 -0.419 -8.330
32 HB1 ALA 4 1HB ALA 4 2.398 -2.110 -6.075
33 HB2 ALA 4 2HB ALA 4 2.538 -2.805 -7.690
34 HB3 ALA 4 3HB ALA 4 3.959 -2.125 -6.896
35 H GLY 5 HN GLY 5 0.234 -0.382 -6.730
36 HA2 GLY 5 1HA GLY 5 -1.210 -1.442 -8.954
37 HA3 GLY 5 2HA GLY 5 -1.902 -0.629 -7.558
38 H ALA 6 HN ALA 6 -0.748 1.856 -7.708
39 HA ALA 6 HA ALA 6 -2.339 3.105 -9.691
40 HB1 ALA 6 1HB ALA 6 -0.390 4.936 -8.777
41 HB2 ALA 6 2HB ALA 6 -2.078 4.799 -8.285
42 HB3 ALA 6 3HB ALA 6 -0.830 3.908 -7.413
43 H ALA 7 HN ALA 7 1.085 2.316 -9.480
44 HA ALA 7 HA ALA 7 1.871 3.785 -11.789
45 HB1 ALA 7 1HB ALA 7 3.281 1.422 -10.563
46 HB2 ALA 7 2HB ALA 7 3.982 2.681 -11.580
47 HB3 ALA 7 3HB ALA 7 3.409 3.074 -9.959
48 H ALA 8 HN ALA 8 0.945 0.421 -11.209
49 HA ALA 8 HA ALA 8 1.524 -0.532 -13.807
50 HB1 ALA 8 1HB ALA 8 1.172 -1.927 -11.744
51 HB2 ALA 8 2HB ALA 8 -0.559 -1.652 -11.945
52 HB3 ALA 8 3HB ALA 8 0.350 -2.501 -13.195
53 H ALA 9 HN ALA 9 -1.492 0.614 -12.314
54 HA ALA 9 HA ALA 9 -3.080 0.242 -14.641
55 HB1 ALA 9 1HB ALA 9 -4.748 1.615 -13.454
56 HB2 ALA 9 2HB ALA 9 -4.102 0.316 -12.451
57 HB3 ALA 9 3HB ALA 9 -3.545 1.973 -12.216
58 H GLY 10 HN GLY 10 -1.242 2.954 -13.338
59 HA2 GLY 10 1HA GLY 10 -2.242 4.875 -15.203
60 HA3 GLY 10 2HA GLY 10 -0.829 5.061 -14.175
61 H ALA 11 HN ALA 11 0.552 2.730 -15.139
62 HA ALA 11 HA ALA 11 1.858 3.888 -17.383
63 HB1 ALA 11 1HB ALA 11 2.961 2.469 -15.648
64 HB2 ALA 11 2HB ALA 11 2.162 1.069 -16.364
65 HB3 ALA 11 3HB ALA 11 3.321 2.002 -17.311
66 H VAL 12 HN VAL 12 -0.330 1.129 -16.985
67 HA VAL 12 HA VAL 12 -0.233 0.249 -19.667
68 HB VAL 12 HB VAL 12 -2.442 -0.856 -19.118
69 HG11 VAL 12 1HG1 VAL 12 -1.415 -2.404 -17.445
70 HG12 VAL 12 2HG1 VAL 12 -0.411 -2.089 -18.862
71 HG13 VAL 12 3HG1 VAL 12 -0.055 -1.287 -17.331
72 HG21 VAL 12 3HG2 VAL 12 -3.510 0.374 -17.508
73 HG22 VAL 12 1HG2 VAL 12 -2.746 -0.855 -16.501
74 HG23 VAL 12 2HG2 VAL 12 -2.018 0.745 -16.644
75 H VAL 13 HN VAL 13 -2.696 2.180 -17.954
76 HA VAL 13 HA VAL 13 -4.291 2.710 -20.202
77 HB VAL 13 HB VAL 13 -3.961 4.421 -17.733
78 HG11 VAL 13 1HG1 VAL 13 -5.596 4.675 -20.112
79 HG12 VAL 13 2HG1 VAL 13 -6.570 4.607 -18.642
80 HG13 VAL 13 3HG1 VAL 13 -5.309 5.829 -18.811
81 HG21 VAL 13 3HG2 VAL 13 -6.335 2.762 -17.879
82 HG22 VAL 13 1HG2 VAL 13 -4.853 1.804 -17.890
83 HG23 VAL 13 2HG2 VAL 13 -5.160 2.939 -16.575
84 H GLY 14 HN GLY 14 -1.554 4.462 -18.807
85 HA2 GLY 14 1HA GLY 14 -1.740 6.761 -20.433
86 HA3 GLY 14 2HA GLY 14 -0.292 6.205 -19.607
87 H GLY 15 HN GLY 15 -0.275 3.618 -20.973
88 HA2 GLY 15 1HA GLY 15 1.258 4.395 -23.250
89 HA3 GLY 15 2HA GLY 15 0.858 2.749 -22.780
90 H LEU 16 HN LEU 16 -1.834 2.654 -22.929
91 HA LEU 16 HA LEU 16 -2.276 2.538 -25.740
92 HB2 LEU 16 1HB LEU 16 -4.567 1.836 -25.101
93 HB3 LEU 16 2HB LEU 16 -3.286 0.886 -24.349
94 HG LEU 16 HG LEU 16 -3.883 2.909 -22.511
95 HD11 LEU 16 1HD1 LEU 16 -5.944 3.340 -23.795
96 HD12 LEU 16 2HD1 LEU 16 -6.266 2.732 -22.171
97 HD13 LEU 16 3HD1 LEU 16 -6.417 1.657 -23.561
98 HD21 LEU 16 3HD2 LEU 16 -4.599 1.082 -21.124
99 HD22 LEU 16 1HD2 LEU 16 -3.224 0.553 -22.092
100 HD23 LEU 16 2HD2 LEU 16 -4.857 0.055 -22.534
101 H GLY 17 HN GLY 17 -3.421 4.654 -23.144
102 HA2 GLY 17 1HA GLY 17 -5.223 6.144 -24.759
103 HA3 GLY 17 2HA GLY 17 -4.584 6.636 -23.197
104 H GLY 18 HN GLY 18 -1.835 6.632 -23.847
105 HA2 GLY 18 1HA GLY 18 -1.598 9.218 -24.985
106 HA3 GLY 18 2HA GLY 18 -0.268 8.140 -24.590
107 H TYR 19 HN TYR 19 -1.263 5.992 -26.312
108 HA TYR 19 HA TYR 19 0.037 6.787 -28.716
109 HB2 TYR 19 1HB TYR 19 0.188 4.492 -27.924
110 HB3 TYR 19 2HB TYR 19 -1.556 4.300 -28.062
111 HD1 TYR 19 HD2 TYR 19 -0.053 6.230 -30.690
112 HD2 TYR 19 HD1 TYR 19 -0.950 2.263 -29.441
113 HE1 TYR 19 HE2 TYR 19 0.218 5.446 -33.005
114 HE2 TYR 19 HE1 TYR 19 -0.680 1.467 -31.752
115 HH TYR 19 HH TYR 19 0.365 2.107 -33.809
116 H MET 20 HN MET 20 -3.302 5.656 -28.145
117 HA MET 20 HA MET 20 -4.338 6.208 -30.643
118 HB2 MET 20 1HB MET 20 -6.547 6.506 -29.391
119 HB3 MET 20 2HB MET 20 -5.705 4.977 -29.176
120 HG2 MET 20 1HG MET 20 -4.689 6.103 -27.085
121 HG3 MET 20 2HG MET 20 -6.022 7.243 -27.257
122 HE1 MET 20 3HE MET 20 -5.234 3.667 -27.751
123 HE2 MET 20 1HE MET 20 -6.100 2.804 -26.479
124 HE3 MET 20 2HE MET 20 -6.899 3.146 -28.014
125 H LEU 21 HN LEU 21 -4.657 8.315 -27.777
126 HA LEU 21 HA LEU 21 -5.685 10.521 -29.175
127 HB2 LEU 21 1HB LEU 21 -5.021 9.880 -26.515
128 HB3 LEU 21 2HB LEU 21 -4.159 11.367 -26.902
129 HG LEU 21 HG LEU 21 -6.239 11.945 -25.880
130 HD11 LEU 21 1HD1 LEU 21 -5.388 13.022 -28.160
131 HD12 LEU 21 2HD1 LEU 21 -6.858 13.558 -27.348
132 HD13 LEU 21 3HD1 LEU 21 -6.960 12.441 -28.708
133 HD21 LEU 21 3HD2 LEU 21 -7.201 9.656 -27.246
134 HD22 LEU 21 1HD2 LEU 21 -8.154 11.042 -27.777
135 HD23 LEU 21 2HD2 LEU 21 -8.037 10.659 -26.059
136 H GLY 22 HN GLY 22 -2.447 9.358 -28.758
137 HA2 GLY 22 1HA GLY 22 -1.110 11.806 -29.375
138 HA3 GLY 22 2HA GLY 22 -0.399 10.200 -29.395
139 H SER 23 HN SER 23 -1.688 8.858 -31.295
140 HA SER 23 HA SER 23 -0.692 10.054 -33.695
141 HB2 SER 23 1HB SER 23 -0.516 7.871 -34.181
142 HB3 SER 23 2HB SER 23 -1.570 7.436 -32.835
143 HG SER 23 HG SER 23 -3.341 7.697 -34.163
144 H ALA 24 HN ALA 24 -3.806 9.761 -32.174
145 HA ALA 24 HA ALA 24 -5.430 10.277 -34.426
146 HB1 ALA 24 1HB ALA 24 -6.038 10.949 -31.552
147 HB2 ALA 24 2HB ALA 24 -7.197 10.711 -32.860
148 HB3 ALA 24 3HB ALA 24 -6.242 9.351 -32.270
149 H MET 25 HN MET 25 -4.008 12.415 -31.976
150 HA MET 25 HA MET 25 -5.119 14.783 -33.174
151 HB2 MET 25 1HB MET 25 -3.770 14.098 -30.729
152 HB3 MET 25 2HB MET 25 -2.990 15.492 -31.463
153 HG2 MET 25 1HG MET 25 -4.816 16.829 -31.208
154 HG3 MET 25 2HG MET 25 -5.950 15.482 -31.280
155 HE1 MET 25 3HE MET 25 -3.422 16.756 -27.686
156 HE2 MET 25 1HE MET 25 -2.802 15.387 -28.609
157 HE3 MET 25 2HE MET 25 -3.036 16.947 -29.396
158 H SER 26 HN SER 26 -2.189 12.947 -33.444
159 HA SER 26 HA SER 26 -0.603 15.007 -34.623
160 HB2 SER 26 1HB SER 26 0.773 13.372 -33.780
161 HB3 SER 26 2HB SER 26 -0.337 12.069 -34.203
162 HG SER 26 HG SER 26 0.391 12.107 -36.269
163 H ARG 27 HN ARG 27 -2.809 12.576 -35.829
164 HA ARG 27 HA ARG 27 -3.593 12.088 -37.913
165 HB2 ARG 27 1HB ARG 27 -3.059 15.046 -38.142
166 HB3 ARG 27 2HB ARG 27 -3.826 14.124 -39.429
167 HG2 ARG 27 1HG ARG 27 -5.793 14.086 -38.382
168 HG3 ARG 27 2HG ARG 27 -5.059 13.707 -36.822
169 HD2 ARG 27 1HD ARG 27 -5.780 15.787 -36.309
170 HD3 ARG 27 2HD ARG 27 -4.265 16.254 -37.080
171 HE ARG 27 HE ARG 27 -6.452 16.075 -38.922
172 HH11 ARG 27 1HH1 ARG 27 -4.859 18.114 -36.593
173 HH12 ARG 27 2HH1 ARG 27 -5.429 19.589 -37.301
174 HH21 ARG 27 1HH2 ARG 27 -7.209 18.010 -39.863
175 HH22 ARG 27 2HH2 ARG 27 -6.766 19.529 -39.161
Start of MODEL 4
1 H1 LYS 1 HN LYS 1 3.813 0.945 -0.542
2 HA LYS 1 HA LYS 1 3.337 -1.363 -1.705
3 HB2 LYS 1 1HB LYS 1 2.493 -0.546 0.574
4 HB3 LYS 1 2HB LYS 1 1.029 -0.061 -0.272
5 HG2 LYS 1 1HG LYS 1 1.955 -2.836 -0.697
6 HG3 LYS 1 2HG LYS 1 1.311 -2.437 0.898
7 HD2 LYS 1 1HD LYS 1 -0.129 -1.812 -1.674
8 HD3 LYS 1 2HD LYS 1 -0.368 -3.309 -0.768
9 HE2 LYS 1 1HE LYS 1 -1.434 -2.250 0.963
10 HE3 LYS 1 2HE LYS 1 -0.605 -0.720 0.681
11 HZ1 LYS 1 3HZ LYS 1 -2.037 -0.969 -1.563
12 HZ2 LYS 1 1HZ LYS 1 -2.568 -0.130 -0.193
13 HZ3 LYS 1 2HZ LYS 1 -3.070 -1.723 -0.456
14 H HIS 2 HN HIS 2 0.730 1.067 -1.877
15 HA HIS 2 HA HIS 2 -0.519 -0.258 -4.081
16 HB2 HIS 2 1HB HIS 2 -1.626 1.205 -2.269
17 HB3 HIS 2 2HB HIS 2 -1.088 2.575 -3.236
18 HD1 HIS 2 HD1 HIS 2 -2.726 3.348 -4.913
19 HD2 HIS 2 HD2 HIS 2 -3.283 -0.654 -3.944
20 HE1 HIS 2 HE1 HIS 2 -4.769 2.625 -6.189
21 H MET 3 HN MET 3 2.241 1.460 -3.983
22 HA MET 3 HA MET 3 1.987 3.273 -6.134
23 HB2 MET 3 1HB MET 3 4.518 3.056 -6.227
24 HB3 MET 3 2HB MET 3 3.836 3.583 -4.694
25 HG2 MET 3 1HG MET 3 4.976 1.972 -3.703
26 HG3 MET 3 2HG MET 3 3.953 0.801 -4.532
27 HE1 MET 3 3HE MET 3 5.962 -1.028 -6.791
28 HE2 MET 3 1HE MET 3 6.120 -1.296 -5.055
29 HE3 MET 3 2HE MET 3 4.566 -0.812 -5.734
30 H ALA 4 HN ALA 4 2.644 -0.155 -5.964
31 HA ALA 4 HA ALA 4 3.559 -0.444 -8.648
32 HB1 ALA 4 1HB ALA 4 2.867 -2.911 -8.159
33 HB2 ALA 4 2HB ALA 4 4.239 -2.193 -7.312
34 HB3 ALA 4 3HB ALA 4 2.676 -2.326 -6.505
35 H GLY 5 HN GLY 5 0.414 -0.695 -7.064
36 HA2 GLY 5 1HA GLY 5 -0.958 -1.707 -9.356
37 HA3 GLY 5 2HA GLY 5 -1.701 -1.022 -7.917
38 H ALA 6 HN ALA 6 -0.702 1.533 -7.913
39 HA ALA 6 HA ALA 6 -2.363 2.799 -9.826
40 HB1 ALA 6 1HB ALA 6 -2.210 4.417 -8.320
41 HB2 ALA 6 2HB ALA 6 -0.910 3.555 -7.496
42 HB3 ALA 6 3HB ALA 6 -0.533 4.688 -8.794
43 H ALA 7 HN ALA 7 1.102 2.210 -9.644
44 HA ALA 7 HA ALA 7 1.801 3.859 -11.858
45 HB1 ALA 7 1HB ALA 7 3.975 2.877 -11.704
46 HB2 ALA 7 2HB ALA 7 3.377 3.135 -10.065
47 HB3 ALA 7 3HB ALA 7 3.352 1.518 -10.768
48 H ALA 8 HN ALA 8 1.082 0.417 -11.485
49 HA ALA 8 HA ALA 8 1.723 -0.341 -14.131
50 HB1 ALA 8 1HB ALA 8 -0.292 -1.696 -12.352
51 HB2 ALA 8 2HB ALA 8 0.671 -2.412 -13.645
52 HB3 ALA 8 3HB ALA 8 1.452 -1.877 -12.157
53 H ALA 9 HN ALA 9 -1.360 0.526 -12.588
54 HA ALA 9 HA ALA 9 -2.919 0.198 -14.942
55 HB1 ALA 9 1HB ALA 9 -4.620 1.542 -13.644
56 HB2 ALA 9 2HB ALA 9 -4.055 0.058 -12.875
57 HB3 ALA 9 3HB ALA 9 -3.433 1.620 -12.342
58 H GLY 10 HN GLY 10 -1.252 2.934 -13.469
59 HA2 GLY 10 1HA GLY 10 -2.366 4.898 -15.222
60 HA3 GLY 10 2HA GLY 10 -0.968 5.109 -14.177
61 H ALA 11 HN ALA 11 0.555 2.930 -15.271
62 HA ALA 11 HA ALA 11 1.791 4.297 -17.435
63 HB1 ALA 11 1HB ALA 11 2.264 1.446 -16.583
64 HB2 ALA 11 2HB ALA 11 3.366 2.501 -17.469
65 HB3 ALA 11 3HB ALA 11 2.978 2.848 -15.784
66 H VAL 12 HN VAL 12 -0.224 1.390 -17.214
67 HA VAL 12 HA VAL 12 -0.069 0.680 -19.943
68 HB VAL 12 HB VAL 12 -2.206 -0.589 -19.473
69 HG11 VAL 12 1HG1 VAL 12 0.200 -0.979 -17.702
70 HG12 VAL 12 2HG1 VAL 12 -1.089 -2.170 -17.892
71 HG13 VAL 12 3HG1 VAL 12 -0.103 -1.707 -19.279
72 HG21 VAL 12 3HG2 VAL 12 -2.516 -0.762 -16.861
73 HG22 VAL 12 1HG2 VAL 12 -1.886 0.884 -16.907
74 HG23 VAL 12 2HG2 VAL 12 -3.352 0.475 -17.799
75 H VAL 13 HN VAL 13 -2.648 2.351 -18.132
76 HA VAL 13 HA VAL 13 -4.270 2.916 -20.351
77 HB VAL 13 HB VAL 13 -4.048 4.493 -17.784
78 HG11 VAL 13 1HG1 VAL 13 -6.480 4.996 -18.348
79 HG12 VAL 13 2HG1 VAL 13 -5.250 5.818 -19.309
80 HG13 VAL 13 3HG1 VAL 13 -6.104 4.425 -19.973
81 HG21 VAL 13 3HG2 VAL 13 -6.316 2.704 -18.041
82 HG22 VAL 13 1HG2 VAL 13 -4.779 1.841 -18.100
83 HG23 VAL 13 2HG2 VAL 13 -5.158 2.875 -16.722
84 H GLY 14 HN GLY 14 -1.647 4.746 -18.841
85 HA2 GLY 14 1HA GLY 14 -1.971 7.121 -20.329
86 HA3 GLY 14 2HA GLY 14 -0.493 6.607 -19.530
87 H GLY 15 HN GLY 15 -0.316 4.111 -21.048
88 HA2 GLY 15 1HA GLY 15 1.170 5.114 -23.266
89 HA3 GLY 15 2HA GLY 15 0.871 3.422 -22.897
90 H LEU 16 HN LEU 16 -1.809 3.172 -23.065
91 HA LEU 16 HA LEU 16 -2.239 3.197 -25.881
92 HB2 LEU 16 1HB LEU 16 -4.484 2.320 -25.295
93 HB3 LEU 16 2HB LEU 16 -3.149 1.407 -24.596
94 HG LEU 16 HG LEU 16 -3.871 3.276 -22.644
95 HD11 LEU 16 1HD1 LEU 16 -6.321 1.937 -23.779
96 HD12 LEU 16 2HD1 LEU 16 -5.953 3.656 -23.909
97 HD13 LEU 16 3HD1 LEU 16 -6.239 2.934 -22.326
98 HD21 LEU 16 3HD2 LEU 16 -3.069 0.944 -22.361
99 HD22 LEU 16 1HD2 LEU 16 -4.669 0.375 -22.840
100 HD23 LEU 16 2HD2 LEU 16 -4.477 1.330 -21.370
101 H GLY 17 HN GLY 17 -3.516 5.080 -23.169
102 HA2 GLY 17 1HA GLY 17 -5.403 6.552 -24.702
103 HA3 GLY 17 2HA GLY 17 -4.798 6.988 -23.111
104 H GLY 18 HN GLY 18 -2.052 7.190 -23.745
105 HA2 GLY 18 1HA GLY 18 -1.972 9.849 -24.726
106 HA3 GLY 18 2HA GLY 18 -0.579 8.832 -24.389
107 H TYR 19 HN TYR 19 -1.439 6.735 -26.240
108 HA TYR 19 HA TYR 19 -0.186 7.750 -28.587
109 HB2 TYR 19 1HB TYR 19 0.104 5.424 -27.932
110 HB3 TYR 19 2HB TYR 19 -1.625 5.135 -28.089
111 HD1 TYR 19 HD2 TYR 19 -0.239 7.306 -30.591
112 HD2 TYR 19 HD1 TYR 19 -0.893 3.225 -29.584
113 HE1 TYR 19 HE2 TYR 19 0.084 6.679 -32.947
114 HE2 TYR 19 HE1 TYR 19 -0.571 2.586 -31.937
115 HH TYR 19 HH TYR 19 0.560 4.860 -34.319
116 H MET 20 HN MET 20 -3.450 6.385 -28.101
117 HA MET 20 HA MET 20 -4.515 7.020 -30.567
118 HB2 MET 20 1HB MET 20 -6.740 7.107 -29.311
119 HB3 MET 20 2HB MET 20 -5.805 5.623 -29.183
120 HG2 MET 20 1HG MET 20 -4.864 6.682 -27.024
121 HG3 MET 20 2HG MET 20 -6.264 7.747 -27.135
122 HE1 MET 20 3HE MET 20 -6.074 3.272 -26.623
123 HE2 MET 20 1HE MET 20 -6.886 3.657 -28.141
124 HE3 MET 20 2HE MET 20 -5.258 4.260 -27.835
125 H LEU 21 HN LEU 21 -4.966 8.929 -27.582
126 HA LEU 21 HA LEU 21 -6.125 11.147 -28.853
127 HB2 LEU 21 1HB LEU 21 -5.428 10.391 -26.232
128 HB3 LEU 21 2HB LEU 21 -4.657 11.948 -26.525
129 HG LEU 21 HG LEU 21 -7.074 12.599 -27.364
130 HD11 LEU 21 1HD1 LEU 21 -8.839 11.419 -26.514
131 HD12 LEU 21 2HD1 LEU 21 -7.889 10.724 -25.202
132 HD13 LEU 21 3HD1 LEU 21 -7.710 10.105 -26.843
133 HD21 LEU 21 3HD2 LEU 21 -7.584 13.126 -24.875
134 HD22 LEU 21 1HD2 LEU 21 -6.183 13.867 -25.648
135 HD23 LEU 21 2HD2 LEU 21 -5.970 12.473 -24.588
136 H GLY 22 HN GLY 22 -2.823 10.162 -28.488
137 HA2 GLY 22 1HA GLY 22 -1.638 12.720 -28.952
138 HA3 GLY 22 2HA GLY 22 -0.829 11.163 -29.064
139 H SER 23 HN SER 23 -2.030 9.861 -31.047
140 HA SER 23 HA SER 23 -1.106 11.256 -33.366
141 HB2 SER 23 1HB SER 23 -1.749 8.549 -32.662
142 HB3 SER 23 2HB SER 23 -2.585 8.971 -34.156
143 HG SER 23 HG SER 23 0.109 9.678 -33.874
144 H ALA 24 HN ALA 24 -4.198 10.684 -31.881
145 HA ALA 24 HA ALA 24 -5.847 11.233 -34.108
146 HB1 ALA 24 1HB ALA 24 -7.641 11.464 -32.529
147 HB2 ALA 24 2HB ALA 24 -6.605 10.132 -32.015
148 HB3 ALA 24 3HB ALA 24 -6.502 11.694 -31.202
149 H MET 25 HN MET 25 -4.563 13.304 -31.527
150 HA MET 25 HA MET 25 -5.815 15.667 -32.588
151 HB2 MET 25 1HB MET 25 -4.433 14.921 -30.181
152 HB3 MET 25 2HB MET 25 -3.734 16.399 -30.827
153 HG2 MET 25 1HG MET 25 -6.007 17.377 -30.916
154 HG3 MET 25 2HG MET 25 -6.622 15.920 -30.138
155 HE1 MET 25 3HE MET 25 -5.790 15.005 -28.026
156 HE2 MET 25 1HE MET 25 -5.378 15.987 -26.620
157 HE3 MET 25 2HE MET 25 -6.990 16.093 -27.327
158 H SER 26 HN SER 26 -2.778 14.032 -32.952
159 HA SER 26 HA SER 26 -1.319 16.252 -33.998
160 HB2 SER 26 1HB SER 26 0.157 14.661 -33.251
161 HB3 SER 26 2HB SER 26 -0.874 13.318 -33.746
162 HG SER 26 HG SER 26 -0.129 13.476 -35.785
163 H ARG 27 HN ARG 27 -3.370 13.767 -35.358
164 HA ARG 27 HA ARG 27 -2.691 14.523 -38.085
165 HB2 ARG 27 1HB ARG 27 -4.187 12.310 -36.795
166 HB3 ARG 27 2HB ARG 27 -4.719 12.786 -38.402
167 HG2 ARG 27 1HG ARG 27 -3.190 11.256 -39.029
168 HG3 ARG 27 2HG ARG 27 -2.089 12.624 -38.852
169 HD2 ARG 27 1HD ARG 27 -1.052 10.869 -37.695
170 HD3 ARG 27 2HD ARG 27 -1.794 11.859 -36.439
171 HE ARG 27 HE ARG 27 -3.211 10.122 -35.942
172 HH11 ARG 27 1HH1 ARG 27 -1.595 9.483 -38.958
173 HH12 ARG 27 2HH1 ARG 27 -2.149 7.844 -39.058
174 HH21 ARG 27 1HH2 ARG 27 -3.948 7.966 -36.063
175 HH22 ARG 27 2HH2 ARG 27 -3.489 6.983 -37.411
Start of MODEL 5
1 H1 LYS 1 HN LYS 1 0.325 0.124 0.693
2 HA LYS 1 HA LYS 1 2.587 0.746 -1.080
3 HB2 LYS 1 1HB LYS 1 2.461 -1.442 0.289
4 HB3 LYS 1 2HB LYS 1 1.243 -1.936 -0.879
5 HG2 LYS 1 1HG LYS 1 2.844 -1.687 -2.687
6 HG3 LYS 1 2HG LYS 1 4.067 -1.128 -1.544
7 HD2 LYS 1 1HD LYS 1 3.946 -3.291 -0.382
8 HD3 LYS 1 2HD LYS 1 2.754 -3.846 -1.559
9 HE2 LYS 1 1HE LYS 1 4.825 -4.722 -2.274
10 HE3 LYS 1 2HE LYS 1 4.484 -3.360 -3.340
11 HZ1 LYS 1 3HZ LYS 1 6.653 -2.967 -2.791
12 HZ2 LYS 1 1HZ LYS 1 6.509 -3.607 -1.232
13 HZ3 LYS 1 2HZ LYS 1 5.882 -2.075 -1.577
14 H HIS 2 HN HIS 2 -0.026 1.946 -1.386
15 HA HIS 2 HA HIS 2 -1.423 0.619 -3.499
16 HB2 HIS 2 1HB HIS 2 -2.362 2.332 -1.832
17 HB3 HIS 2 2HB HIS 2 -1.623 3.557 -2.858
18 HD1 HIS 2 HD1 HIS 2 -3.185 4.490 -4.517
19 HD2 HIS 2 HD2 HIS 2 -4.140 0.564 -3.553
20 HE1 HIS 2 HE1 HIS 2 -5.259 3.960 -5.837
21 H MET 3 HN MET 3 1.532 1.979 -3.494
22 HA MET 3 HA MET 3 1.520 3.633 -5.784
23 HB2 MET 3 1HB MET 3 4.004 3.090 -5.821
24 HB3 MET 3 2HB MET 3 3.386 3.826 -4.349
25 HG2 MET 3 1HG MET 3 4.291 2.170 -3.203
26 HG3 MET 3 2HG MET 3 3.150 1.067 -3.970
27 HE1 MET 3 3HE MET 3 3.579 -0.685 -5.043
28 HE2 MET 3 1HE MET 3 4.948 -1.137 -6.060
29 HE3 MET 3 2HE MET 3 5.054 -1.315 -4.308
30 H ALA 4 HN ALA 4 1.741 0.174 -5.336
31 HA ALA 4 HA ALA 4 2.625 -0.439 -7.975
32 HB1 ALA 4 1HB ALA 4 1.491 -2.025 -5.712
33 HB2 ALA 4 2HB ALA 4 1.645 -2.755 -7.310
34 HB3 ALA 4 3HB ALA 4 3.074 -2.139 -6.481
35 H GLY 5 HN GLY 5 -0.533 -0.171 -6.422
36 HA2 GLY 5 1HA GLY 5 -2.011 -1.184 -8.646
37 HA3 GLY 5 2HA GLY 5 -2.669 -0.300 -7.277
38 H ALA 6 HN ALA 6 -1.359 2.104 -7.459
39 HA ALA 6 HA ALA 6 -2.841 3.409 -9.490
40 HB1 ALA 6 1HB ALA 6 -0.793 5.133 -8.584
41 HB2 ALA 6 2HB ALA 6 -2.492 5.111 -8.112
42 HB3 ALA 6 3HB ALA 6 -1.313 4.163 -7.206
43 H ALA 7 HN ALA 7 0.524 2.411 -9.212
44 HA ALA 7 HA ALA 7 1.432 3.779 -11.538
45 HB1 ALA 7 1HB ALA 7 2.896 3.011 -9.671
46 HB2 ALA 7 2HB ALA 7 2.675 1.358 -10.245
47 HB3 ALA 7 3HB ALA 7 3.467 2.550 -11.275
48 H ALA 8 HN ALA 8 0.287 0.493 -10.906
49 HA ALA 8 HA ALA 8 0.840 -0.548 -13.475
50 HB1 ALA 8 1HB ALA 8 -1.335 -1.495 -11.623
51 HB2 ALA 8 2HB ALA 8 -0.465 -2.427 -12.842
52 HB3 ALA 8 3HB ALA 8 0.371 -1.876 -11.390
53 H ALA 9 HN ALA 9 -2.117 0.816 -12.050
54 HA ALA 9 HA ALA 9 -3.693 0.497 -14.393
55 HB1 ALA 9 1HB ALA 9 -5.317 1.918 -13.266
56 HB2 ALA 9 2HB ALA 9 -4.681 0.698 -12.162
57 HB3 ALA 9 3HB ALA 9 -4.109 2.362 -12.060
58 H GLY 10 HN GLY 10 -1.705 3.114 -13.115
59 HA2 GLY 10 1HA GLY 10 -2.557 5.055 -15.032
60 HA3 GLY 10 2HA GLY 10 -1.149 5.173 -13.987
61 H ALA 11 HN ALA 11 0.095 2.741 -14.885
62 HA ALA 11 HA ALA 11 1.502 3.768 -17.132
63 HB1 ALA 11 1HB ALA 11 2.859 1.823 -16.988
64 HB2 ALA 11 2HB ALA 11 2.466 2.301 -15.336
65 HB3 ALA 11 3HB ALA 11 1.621 0.948 -16.088
66 H VAL 12 HN VAL 12 -0.862 1.161 -16.712
67 HA VAL 12 HA VAL 12 -0.784 0.223 -19.375
68 HB VAL 12 HB VAL 12 -3.065 -0.730 -18.838
69 HG11 VAL 12 1HG1 VAL 12 -1.123 -2.085 -18.526
70 HG12 VAL 12 2HG1 VAL 12 -0.734 -1.274 -17.008
71 HG13 VAL 12 3HG1 VAL 12 -2.161 -2.304 -17.118
72 HG21 VAL 12 3HG2 VAL 12 -4.074 0.601 -17.269
73 HG22 VAL 12 1HG2 VAL 12 -3.409 -0.656 -16.227
74 HG23 VAL 12 2HG2 VAL 12 -2.575 0.889 -16.387
75 H VAL 13 HN VAL 13 -3.142 2.340 -17.737
76 HA VAL 13 HA VAL 13 -4.671 2.923 -20.017
77 HB VAL 13 HB VAL 13 -4.264 4.660 -17.578
78 HG11 VAL 13 1HG1 VAL 13 -6.711 5.274 -18.290
79 HG12 VAL 13 2HG1 VAL 13 -5.330 6.068 -19.049
80 HG13 VAL 13 3HG1 VAL 13 -6.157 4.749 -19.880
81 HG21 VAL 13 3HG2 VAL 13 -6.737 3.153 -17.727
82 HG22 VAL 13 1HG2 VAL 13 -5.321 2.104 -17.696
83 HG23 VAL 13 2HG2 VAL 13 -5.572 3.283 -16.409
84 H GLY 14 HN GLY 14 -1.846 4.527 -18.619
85 HA2 GLY 14 1HA GLY 14 -1.865 6.798 -20.294
86 HA3 GLY 14 2HA GLY 14 -0.466 6.169 -19.437
87 H GLY 15 HN GLY 15 -0.596 3.557 -20.750
88 HA2 GLY 15 1HA GLY 15 1.013 4.187 -23.019
89 HA3 GLY 15 2HA GLY 15 0.503 2.581 -22.522
90 H LEU 16 HN LEU 16 -2.187 2.653 -22.707
91 HA LEU 16 HA LEU 16 -2.599 2.506 -25.522
92 HB2 LEU 16 1HB LEU 16 -4.939 1.965 -24.900
93 HB3 LEU 16 2HB LEU 16 -3.731 0.951 -24.113
94 HG LEU 16 HG LEU 16 -4.220 3.045 -22.324
95 HD11 LEU 16 1HD1 LEU 16 -6.234 3.578 -23.644
96 HD12 LEU 16 2HD1 LEU 16 -6.613 3.027 -22.013
97 HD13 LEU 16 3HD1 LEU 16 -6.815 1.934 -23.381
98 HD21 LEU 16 3HD2 LEU 16 -5.066 1.297 -20.909
99 HD22 LEU 16 1HD2 LEU 16 -3.717 0.661 -21.850
100 HD23 LEU 16 2HD2 LEU 16 -5.373 0.259 -22.302
101 H GLY 17 HN GLY 17 -3.641 4.744 -22.985
102 HA2 GLY 17 1HA GLY 17 -5.323 6.311 -24.656
103 HA3 GLY 17 2HA GLY 17 -4.675 6.795 -23.096
104 H GLY 18 HN GLY 18 -1.923 6.603 -23.707
105 HA2 GLY 18 1HA GLY 18 -1.507 9.144 -24.894
106 HA3 GLY 18 2HA GLY 18 -0.253 7.992 -24.459
107 H TYR 19 HN TYR 19 -1.361 5.876 -26.150
108 HA TYR 19 HA TYR 19 0.016 6.536 -28.552
109 HB2 TYR 19 1HB TYR 19 0.012 4.252 -27.711
110 HB3 TYR 19 2HB TYR 19 -1.739 4.169 -27.869
111 HD1 TYR 19 HD1 TYR 19 -0.083 5.944 -30.515
112 HD2 TYR 19 HD2 TYR 19 -1.250 2.070 -29.199
113 HE1 TYR 19 HE1 TYR 19 0.168 5.096 -32.810
114 HE2 TYR 19 HE2 TYR 19 -1.001 1.211 -31.490
115 HH TYR 19 HH TYR 19 0.669 2.498 -33.767
116 H MET 20 HN MET 20 -3.394 5.631 -28.003
117 HA MET 20 HA MET 20 -4.362 6.194 -30.527
118 HB2 MET 20 1HB MET 20 -6.563 6.656 -29.312
119 HB3 MET 20 2HB MET 20 -5.822 5.083 -29.054
120 HG2 MET 20 1HG MET 20 -4.764 6.186 -26.973
121 HG3 MET 20 2HG MET 20 -6.019 7.404 -27.187
122 HE1 MET 20 3HE MET 20 -5.453 3.776 -27.595
123 HE2 MET 20 1HE MET 20 -6.389 2.997 -26.319
124 HE3 MET 20 2HE MET 20 -7.144 3.355 -27.872
125 H LEU 21 HN LEU 21 -4.582 8.376 -27.708
126 HA LEU 21 HA LEU 21 -5.451 10.613 -29.164
127 HB2 LEU 21 1HB LEU 21 -4.868 9.987 -26.483
128 HB3 LEU 21 2HB LEU 21 -3.899 11.404 -26.886
129 HG LEU 21 HG LEU 21 -6.061 11.979 -25.856
130 HD11 LEU 21 1HD1 LEU 21 -6.573 13.046 -28.495
131 HD12 LEU 21 2HD1 LEU 21 -4.861 13.113 -28.080
132 HD13 LEU 21 3HD1 LEU 21 -6.054 13.869 -27.024
133 HD21 LEU 21 3HD2 LEU 21 -7.246 9.995 -26.932
134 HD22 LEU 21 1HD2 LEU 21 -7.373 11.002 -28.375
135 HD23 LEU 21 2HD2 LEU 21 -8.129 11.522 -26.868
136 H GLY 22 HN GLY 22 -2.298 9.258 -28.679
137 HA2 GLY 22 1HA GLY 22 -0.803 11.603 -29.329
138 HA3 GLY 22 2HA GLY 22 -0.194 9.955 -29.306
139 H SER 23 HN SER 23 -1.542 8.656 -31.196
140 HA SER 23 HA SER 23 -0.443 9.736 -33.606
141 HB2 SER 23 1HB SER 23 -0.402 7.537 -34.048
142 HB3 SER 23 2HB SER 23 -1.491 7.198 -32.704
143 HG SER 23 HG SER 23 -3.095 7.045 -34.056
144 H ALA 24 HN ALA 24 -3.587 9.673 -32.121
145 HA ALA 24 HA ALA 24 -5.148 10.242 -34.406
146 HB1 ALA 24 1HB ALA 24 -6.904 10.819 -32.875
147 HB2 ALA 24 2HB ALA 24 -6.044 9.415 -32.242
148 HB3 ALA 24 3HB ALA 24 -5.750 11.013 -31.555
149 H MET 25 HN MET 25 -3.624 12.337 -31.980
150 HA MET 25 HA MET 25 -4.568 14.745 -33.241
151 HB2 MET 25 1HB MET 25 -3.295 14.028 -30.765
152 HB3 MET 25 2HB MET 25 -2.418 15.354 -31.517
153 HG2 MET 25 1HG MET 25 -4.186 16.802 -31.354
154 HG3 MET 25 2HG MET 25 -5.383 15.508 -31.334
155 HE1 MET 25 3HE MET 25 -6.019 17.517 -28.338
156 HE2 MET 25 1HE MET 25 -6.550 16.837 -29.877
157 HE3 MET 25 2HE MET 25 -6.727 15.901 -28.393
158 H SER 26 HN SER 26 -1.757 12.722 -33.434
159 HA SER 26 HA SER 26 -0.030 14.653 -34.634
160 HB2 SER 26 1HB SER 26 0.045 11.711 -34.161
161 HB3 SER 26 2HB SER 26 1.115 12.369 -35.399
162 HG SER 26 HG SER 26 2.250 12.482 -33.527
163 H ARG 27 HN ARG 27 -2.370 12.341 -35.820
164 HA ARG 27 HA ARG 27 -3.162 11.863 -37.902
165 HB2 ARG 27 1HB ARG 27 -2.453 14.779 -38.134
166 HB3 ARG 27 2HB ARG 27 -3.177 13.902 -39.475
167 HG2 ARG 27 1HG ARG 27 -5.210 13.856 -38.519
168 HG3 ARG 27 2HG ARG 27 -4.558 13.615 -36.897
169 HD2 ARG 27 1HD ARG 27 -5.552 15.746 -36.859
170 HD3 ARG 27 2HD ARG 27 -3.819 16.041 -36.995
171 HE ARG 27 HE ARG 27 -4.837 15.977 -39.575
172 HH11 ARG 27 1HH1 ARG 27 -5.200 17.898 -36.694
173 HH12 ARG 27 2HH1 ARG 27 -5.579 19.353 -37.555
174 HH21 ARG 27 1HH2 ARG 27 -5.334 17.887 -40.720
175 HH22 ARG 27 2HH2 ARG 27 -5.655 19.346 -39.845
Start of MODEL 6
1 H1 LYS 1 HN LYS 1 0.562 -0.532 0.517
2 HA LYS 1 HA LYS 1 2.542 0.650 -1.263
3 HB2 LYS 1 1HB LYS 1 2.712 -1.660 -0.094
4 HB3 LYS 1 2HB LYS 1 1.622 -2.209 -1.361
5 HG2 LYS 1 1HG LYS 1 3.190 -1.875 -3.033
6 HG3 LYS 1 2HG LYS 1 4.140 -0.755 -2.055
7 HD2 LYS 1 1HD LYS 1 5.216 -2.428 -0.939
8 HD3 LYS 1 2HD LYS 1 3.847 -3.535 -1.059
9 HE2 LYS 1 1HE LYS 1 4.465 -3.405 -3.638
10 HE3 LYS 1 2HE LYS 1 6.052 -3.011 -2.979
11 HZ1 LYS 1 3HZ LYS 1 4.457 -5.439 -2.359
12 HZ2 LYS 1 1HZ LYS 1 5.953 -5.055 -1.668
13 HZ3 LYS 1 2HZ LYS 1 5.843 -5.377 -3.325
14 H HIS 2 HN HIS 2 -0.133 1.560 -1.578
15 HA HIS 2 HA HIS 2 -1.376 0.216 -3.774
16 HB2 HIS 2 1HB HIS 2 -2.434 1.804 -2.004
17 HB3 HIS 2 2HB HIS 2 -1.891 3.091 -3.076
18 HD1 HIS 2 HD1 HIS 2 -3.349 -0.204 -4.217
19 HD2 HIS 2 HD2 HIS 2 -4.329 3.832 -4.087
20 HE1 HIS 2 HE1 HIS 2 -5.466 0.017 -5.556
21 H MET 3 HN MET 3 1.434 1.848 -3.660
22 HA MET 3 HA MET 3 1.285 3.610 -5.863
23 HB2 MET 3 1HB MET 3 3.808 3.311 -5.894
24 HB3 MET 3 2HB MET 3 3.112 3.899 -4.390
25 HG2 MET 3 1HG MET 3 4.182 2.281 -3.336
26 HG3 MET 3 2HG MET 3 3.135 1.122 -4.153
27 HE1 MET 3 3HE MET 3 5.242 -1.057 -4.570
28 HE2 MET 3 1HE MET 3 3.718 -0.546 -5.297
29 HE3 MET 3 2HE MET 3 5.127 -0.837 -6.316
30 H ALA 4 HN ALA 4 1.826 0.168 -5.589
31 HA ALA 4 HA ALA 4 2.789 -0.222 -8.243
32 HB1 ALA 4 1HB ALA 4 3.384 -1.956 -6.852
33 HB2 ALA 4 2HB ALA 4 1.804 -2.014 -6.070
34 HB3 ALA 4 3HB ALA 4 2.004 -2.651 -7.703
35 H GLY 5 HN GLY 5 -0.396 -0.330 -6.724
36 HA2 GLY 5 1HA GLY 5 -1.751 -1.358 -9.019
37 HA3 GLY 5 2HA GLY 5 -2.502 -0.612 -7.616
38 H ALA 6 HN ALA 6 -1.421 1.909 -7.655
39 HA ALA 6 HA ALA 6 -2.999 3.176 -9.637
40 HB1 ALA 6 1HB ALA 6 -2.825 4.829 -8.171
41 HB2 ALA 6 2HB ALA 6 -1.572 3.948 -7.296
42 HB3 ALA 6 3HB ALA 6 -1.130 5.033 -8.614
43 H ALA 7 HN ALA 7 0.442 2.482 -9.363
44 HA ALA 7 HA ALA 7 1.241 4.048 -11.603
45 HB1 ALA 7 1HB ALA 7 2.752 3.324 -9.757
46 HB2 ALA 7 2HB ALA 7 2.691 1.689 -10.417
47 HB3 ALA 7 3HB ALA 7 3.378 3.001 -11.374
48 H ALA 8 HN ALA 8 0.402 0.641 -11.156
49 HA ALA 8 HA ALA 8 1.074 -0.207 -13.767
50 HB1 ALA 8 1HB ALA 8 -0.055 -2.229 -13.252
51 HB2 ALA 8 2HB ALA 8 0.712 -1.681 -11.761
52 HB3 ALA 8 3HB ALA 8 -1.020 -1.449 -11.998
53 H ALA 9 HN ALA 9 -2.011 0.799 -12.317
54 HA ALA 9 HA ALA 9 -3.528 0.459 -14.695
55 HB1 ALA 9 1HB ALA 9 -4.825 0.416 -12.782
56 HB2 ALA 9 2HB ALA 9 -4.012 1.813 -12.074
57 HB3 ALA 9 3HB ALA 9 -5.141 2.034 -13.411
58 H GLY 10 HN GLY 10 -1.806 3.178 -13.257
59 HA2 GLY 10 1HA GLY 10 -2.817 5.130 -15.084
60 HA3 GLY 10 2HA GLY 10 -1.436 5.324 -14.014
61 H ALA 11 HN ALA 11 0.038 3.068 -15.017
62 HA ALA 11 HA ALA 11 1.365 4.337 -17.188
63 HB1 ALA 11 1HB ALA 11 1.683 1.601 -15.970
64 HB2 ALA 11 2HB ALA 11 2.731 2.245 -17.235
65 HB3 ALA 11 3HB ALA 11 2.659 3.037 -15.661
66 H VAL 12 HN VAL 12 -0.749 1.503 -16.937
67 HA VAL 12 HA VAL 12 -0.558 0.717 -19.643
68 HB VAL 12 HB VAL 12 -2.746 -0.470 -19.188
69 HG11 VAL 12 1HG1 VAL 12 -0.394 -0.891 -17.353
70 HG12 VAL 12 2HG1 VAL 12 -1.715 -2.045 -17.546
71 HG13 VAL 12 3HG1 VAL 12 -0.682 -1.647 -18.919
72 HG21 VAL 12 3HG2 VAL 12 -2.433 1.058 -16.653
73 HG22 VAL 12 1HG2 VAL 12 -3.890 0.673 -17.568
74 HG23 VAL 12 2HG2 VAL 12 -3.116 -0.566 -16.580
75 H VAL 13 HN VAL 13 -3.121 2.516 -17.933
76 HA VAL 13 HA VAL 13 -4.675 3.074 -20.202
77 HB VAL 13 HB VAL 13 -4.458 4.711 -17.671
78 HG11 VAL 13 1HG1 VAL 13 -6.417 4.680 -19.939
79 HG12 VAL 13 2HG1 VAL 13 -6.892 5.223 -18.329
80 HG13 VAL 13 3HG1 VAL 13 -5.600 6.054 -19.195
81 HG21 VAL 13 3HG2 VAL 13 -5.641 3.157 -16.594
82 HG22 VAL 13 1HG2 VAL 13 -6.775 2.988 -17.934
83 HG23 VAL 13 2HG2 VAL 13 -5.266 2.074 -17.935
84 H GLY 14 HN GLY 14 -2.027 4.858 -18.680
85 HA2 GLY 14 1HA GLY 14 -2.242 7.204 -20.235
86 HA3 GLY 14 2HA GLY 14 -0.799 6.664 -19.390
87 H GLY 15 HN GLY 15 -0.670 4.124 -20.839
88 HA2 GLY 15 1HA GLY 15 0.896 5.022 -23.048
89 HA3 GLY 15 2HA GLY 15 0.534 3.350 -22.643
90 H LEU 16 HN LEU 16 -2.149 3.181 -22.865
91 HA LEU 16 HA LEU 16 -2.517 3.147 -25.690
92 HB2 LEU 16 1HB LEU 16 -4.801 2.356 -25.133
93 HB3 LEU 16 2HB LEU 16 -3.511 1.420 -24.380
94 HG LEU 16 HG LEU 16 -4.215 3.362 -22.493
95 HD11 LEU 16 1HD1 LEU 16 -6.682 2.072 -23.649
96 HD12 LEU 16 2HD1 LEU 16 -6.255 3.775 -23.815
97 HD13 LEU 16 3HD1 LEU 16 -6.599 3.104 -22.221
98 HD21 LEU 16 3HD2 LEU 16 -4.909 1.470 -21.184
99 HD22 LEU 16 1HD2 LEU 16 -3.495 1.013 -22.135
100 HD23 LEU 16 2HD2 LEU 16 -5.102 0.483 -22.634
101 H GLY 17 HN GLY 17 -3.790 5.139 -23.056
102 HA2 GLY 17 1HA GLY 17 -5.595 6.629 -24.668
103 HA3 GLY 17 2HA GLY 17 -5.011 7.088 -23.075
104 H GLY 18 HN GLY 18 -2.247 7.186 -23.653
105 HA2 GLY 18 1HA GLY 18 -2.060 9.815 -24.699
106 HA3 GLY 18 2HA GLY 18 -0.708 8.763 -24.305
107 H TYR 19 HN TYR 19 -1.594 6.646 -26.121
108 HA TYR 19 HA TYR 19 -0.259 7.559 -28.464
109 HB2 TYR 19 1HB TYR 19 -0.059 5.243 -27.743
110 HB3 TYR 19 2HB TYR 19 -1.792 5.005 -27.933
111 HD1 TYR 19 HD1 TYR 19 -0.282 7.066 -30.456
112 HD2 TYR 19 HD2 TYR 19 -1.092 3.035 -29.362
113 HE1 TYR 19 HE1 TYR 19 0.073 6.368 -32.788
114 HE2 TYR 19 HE2 TYR 19 -0.739 2.326 -31.690
115 HH TYR 19 HH TYR 19 -0.923 3.524 -34.027
116 H MET 20 HN MET 20 -3.575 6.312 -28.017
117 HA MET 20 HA MET 20 -4.565 6.916 -30.522
118 HB2 MET 20 1HB MET 20 -6.813 7.106 -29.319
119 HB3 MET 20 2HB MET 20 -5.930 5.597 -29.132
120 HG2 MET 20 1HG MET 20 -5.002 6.682 -26.980
121 HG3 MET 20 2HG MET 20 -6.364 7.787 -27.149
122 HE1 MET 20 3HE MET 20 -6.330 3.324 -26.519
123 HE2 MET 20 1HE MET 20 -7.097 3.694 -28.064
124 HE3 MET 20 2HE MET 20 -5.456 4.254 -27.738
125 H LEU 21 HN LEU 21 -5.019 8.916 -27.598
126 HA LEU 21 HA LEU 21 -6.078 11.136 -28.949
127 HB2 LEU 21 1HB LEU 21 -5.462 10.426 -26.295
128 HB3 LEU 21 2HB LEU 21 -4.631 11.948 -26.611
129 HG LEU 21 HG LEU 21 -6.808 12.924 -27.313
130 HD11 LEU 21 1HD1 LEU 21 -8.159 11.167 -27.975
131 HD12 LEU 21 2HD1 LEU 21 -8.819 11.580 -26.393
132 HD13 LEU 21 3HD1 LEU 21 -7.752 10.186 -26.567
133 HD21 LEU 21 3HD2 LEU 21 -6.705 11.771 -24.528
134 HD22 LEU 21 1HD2 LEU 21 -7.713 13.123 -25.045
135 HD23 LEU 21 2HD2 LEU 21 -5.956 13.276 -25.063
136 H GLY 22 HN GLY 22 -2.817 10.056 -28.487
137 HA2 GLY 22 1HA GLY 22 -1.541 12.562 -28.993
138 HA3 GLY 22 2HA GLY 22 -0.780 10.979 -29.046
139 H SER 23 HN SER 23 -1.978 9.660 -31.019
140 HA SER 23 HA SER 23 -0.961 10.963 -33.354
141 HB2 SER 23 1HB SER 23 -1.706 8.298 -32.593
142 HB3 SER 23 2HB SER 23 -2.500 8.706 -34.114
143 HG SER 23 HG SER 23 0.275 8.999 -33.584
144 H ALA 24 HN ALA 24 -4.101 10.532 -31.922
145 HA ALA 24 HA ALA 24 -5.684 11.074 -34.198
146 HB1 ALA 24 1HB ALA 24 -7.502 11.406 -32.665
147 HB2 ALA 24 2HB ALA 24 -6.522 10.055 -32.094
148 HB3 ALA 24 3HB ALA 24 -6.384 11.633 -31.320
149 H MET 25 HN MET 25 -4.380 13.170 -31.649
150 HA MET 25 HA MET 25 -5.537 15.544 -32.789
151 HB2 MET 25 1HB MET 25 -4.208 14.816 -30.345
152 HB3 MET 25 2HB MET 25 -3.455 16.255 -31.020
153 HG2 MET 25 1HG MET 25 -5.242 17.547 -30.608
154 HG3 MET 25 2HG MET 25 -6.390 16.272 -31.008
155 HE1 MET 25 3HE MET 25 -4.546 17.390 -27.040
156 HE2 MET 25 1HE MET 25 -3.561 16.173 -27.854
157 HE3 MET 25 2HE MET 25 -3.918 17.701 -28.659
158 H SER 26 HN SER 26 -2.546 13.806 -33.061
159 HA SER 26 HA SER 26 -1.007 15.949 -34.151
160 HB2 SER 26 1HB SER 26 0.700 14.355 -34.495
161 HB3 SER 26 2HB SER 26 -0.143 13.788 -33.054
162 HG SER 26 HG SER 26 0.012 12.669 -35.576
163 H ARG 27 HN ARG 27 -3.113 13.487 -35.468
164 HA ARG 27 HA ARG 27 -2.344 13.639 -38.162
165 HB2 ARG 27 1HB ARG 27 -4.410 12.390 -36.636
166 HB3 ARG 27 2HB ARG 27 -5.145 13.177 -38.026
167 HG2 ARG 27 1HG ARG 27 -4.655 10.991 -38.719
168 HG3 ARG 27 2HG ARG 27 -3.404 12.005 -39.440
169 HD2 ARG 27 1HD ARG 27 -2.085 11.415 -37.262
170 HD3 ARG 27 2HD ARG 27 -3.207 10.057 -37.185
171 HE ARG 27 HE ARG 27 -2.285 9.910 -39.709
172 HH11 ARG 27 1HH1 ARG 27 -0.687 10.204 -36.630
173 HH12 ARG 27 2HH1 ARG 27 0.731 9.347 -37.138
174 HH21 ARG 27 1HH2 ARG 27 -0.424 8.780 -40.389
175 HH22 ARG 27 2HH2 ARG 27 0.880 8.539 -39.276
Start of MODEL 7
1 H1 LYS 1 HN LYS 1 2.820 1.299 0.216
2 HA LYS 1 HA LYS 1 3.604 -0.411 -1.751
3 HB2 LYS 1 1HB LYS 1 2.527 -0.852 0.592
4 HB3 LYS 1 2HB LYS 1 1.028 -0.963 -0.320
5 HG2 LYS 1 1HG LYS 1 2.580 -2.596 -1.785
6 HG3 LYS 1 2HG LYS 1 3.314 -2.814 -0.194
7 HD2 LYS 1 1HD LYS 1 1.661 -4.453 -0.251
8 HD3 LYS 1 2HD LYS 1 0.891 -3.134 0.634
9 HE2 LYS 1 1HE LYS 1 -0.749 -3.767 -0.879
10 HE3 LYS 1 2HE LYS 1 0.020 -2.401 -1.686
11 HZ1 LYS 1 3HZ LYS 1 -0.223 -5.067 -2.574
12 HZ2 LYS 1 1HZ LYS 1 1.418 -4.673 -2.444
13 HZ3 LYS 1 2HZ LYS 1 0.394 -3.726 -3.402
14 H HIS 2 HN HIS 2 0.772 1.606 -1.728
15 HA HIS 2 HA HIS 2 -0.586 0.270 -3.860
16 HB2 HIS 2 1HB HIS 2 -1.482 1.950 -2.035
17 HB3 HIS 2 2HB HIS 2 -1.058 3.158 -3.244
18 HD1 HIS 2 HD1 HIS 2 -2.845 -0.201 -3.499
19 HD2 HIS 2 HD2 HIS 2 -3.313 3.784 -4.577
20 HE1 HIS 2 HE1 HIS 2 -5.010 -0.099 -4.774
21 H MET 3 HN MET 3 2.254 1.855 -3.876
22 HA MET 3 HA MET 3 2.040 3.605 -6.084
23 HB2 MET 3 1HB MET 3 4.555 3.261 -6.219
24 HB3 MET 3 2HB MET 3 3.932 3.875 -4.694
25 HG2 MET 3 1HG MET 3 5.006 2.245 -3.663
26 HG3 MET 3 2HG MET 3 3.920 1.095 -4.440
27 HE1 MET 3 3HE MET 3 4.439 -0.576 -5.602
28 HE2 MET 3 1HE MET 3 5.803 -0.884 -6.678
29 HE3 MET 3 2HE MET 3 5.982 -1.116 -4.939
30 H ALA 4 HN ALA 4 2.539 0.156 -5.808
31 HA ALA 4 HA ALA 4 3.380 -0.266 -8.498
32 HB1 ALA 4 1HB ALA 4 2.450 -2.033 -6.278
33 HB2 ALA 4 2HB ALA 4 2.594 -2.679 -7.913
34 HB3 ALA 4 3HB ALA 4 4.006 -1.995 -7.108
35 H GLY 5 HN GLY 5 0.262 -0.314 -6.843
36 HA2 GLY 5 1HA GLY 5 -1.205 -1.336 -9.070
37 HA3 GLY 5 2HA GLY 5 -1.884 -0.569 -7.641
38 H ALA 6 HN ALA 6 -0.767 1.935 -7.746
39 HA ALA 6 HA ALA 6 -2.408 3.213 -9.669
40 HB1 ALA 6 1HB ALA 6 -0.870 3.977 -7.396
41 HB2 ALA 6 2HB ALA 6 -0.469 5.047 -8.740
42 HB3 ALA 6 3HB ALA 6 -2.146 4.872 -8.222
43 H ALA 7 HN ALA 7 1.029 2.466 -9.536
44 HA ALA 7 HA ALA 7 1.756 4.005 -11.819
45 HB1 ALA 7 1HB ALA 7 3.334 3.269 -10.034
46 HB2 ALA 7 2HB ALA 7 3.220 1.631 -10.680
47 HB3 ALA 7 3HB ALA 7 3.885 2.926 -11.674
48 H ALA 8 HN ALA 8 0.885 0.615 -11.312
49 HA ALA 8 HA ALA 8 1.432 -0.262 -13.943
50 HB1 ALA 8 1HB ALA 8 0.294 -2.263 -13.365
51 HB2 ALA 8 2HB ALA 8 1.133 -1.716 -11.912
52 HB3 ALA 8 3HB ALA 8 -0.604 -1.459 -12.077
53 H ALA 9 HN ALA 9 -1.573 0.802 -12.370
54 HA ALA 9 HA ALA 9 -3.196 0.469 -14.679
55 HB1 ALA 9 1HB ALA 9 -3.689 2.212 -12.267
56 HB2 ALA 9 2HB ALA 9 -4.893 1.678 -13.440
57 HB3 ALA 9 3HB ALA 9 -4.101 0.501 -12.392
58 H GLY 10 HN GLY 10 -1.372 3.171 -13.336
59 HA2 GLY 10 1HA GLY 10 -2.430 5.126 -15.133
60 HA3 GLY 10 2HA GLY 10 -1.002 5.305 -14.124
61 H ALA 11 HN ALA 11 0.393 3.020 -15.172
62 HA ALA 11 HA ALA 11 1.645 4.253 -17.407
63 HB1 ALA 11 1HB ALA 11 2.835 2.837 -15.763
64 HB2 ALA 11 2HB ALA 11 1.993 1.429 -16.411
65 HB3 ALA 11 3HB ALA 11 3.106 2.339 -17.433
66 H VAL 12 HN VAL 12 -0.499 1.455 -17.045
67 HA VAL 12 HA VAL 12 -0.437 0.647 -19.750
68 HB VAL 12 HB VAL 12 -2.621 -0.503 -19.193
69 HG11 VAL 12 1HG1 VAL 12 -0.198 -0.948 -17.459
70 HG12 VAL 12 2HG1 VAL 12 -1.544 -2.081 -17.582
71 HG13 VAL 12 3HG1 VAL 12 -0.567 -1.712 -19.004
72 HG21 VAL 12 3HG2 VAL 12 -3.677 0.670 -17.533
73 HG22 VAL 12 1HG2 VAL 12 -2.879 -0.574 -16.572
74 HG23 VAL 12 2HG2 VAL 12 -2.176 1.039 -16.686
75 H VAL 13 HN VAL 13 -2.895 2.498 -17.946
76 HA VAL 13 HA VAL 13 -4.536 3.065 -20.151
77 HB VAL 13 HB VAL 13 -4.186 4.715 -17.644
78 HG11 VAL 13 1HG1 VAL 13 -5.523 6.135 -18.743
79 HG12 VAL 13 2HG1 VAL 13 -5.935 4.941 -19.975
80 HG13 VAL 13 3HG1 VAL 13 -6.793 4.951 -18.434
81 HG21 VAL 13 3HG2 VAL 13 -5.346 3.187 -16.506
82 HG22 VAL 13 1HG2 VAL 13 -6.539 3.027 -17.795
83 HG23 VAL 13 2HG2 VAL 13 -5.046 2.090 -17.854
84 H GLY 14 HN GLY 14 -1.799 4.817 -18.758
85 HA2 GLY 14 1HA GLY 14 -2.044 7.155 -20.320
86 HA3 GLY 14 2HA GLY 14 -0.574 6.598 -19.533
87 H GLY 15 HN GLY 15 -0.547 4.047 -20.967
88 HA2 GLY 15 1HA GLY 15 0.936 4.904 -23.248
89 HA3 GLY 15 2HA GLY 15 0.566 3.241 -22.815
90 H LEU 16 HN LEU 16 -2.125 3.113 -22.920
91 HA LEU 16 HA LEU 16 -2.615 3.065 -25.726
92 HB2 LEU 16 1HB LEU 16 -4.885 2.314 -25.066
93 HB3 LEU 16 2HB LEU 16 -3.579 1.363 -24.362
94 HG LEU 16 HG LEU 16 -4.171 3.328 -22.462
95 HD11 LEU 16 1HD1 LEU 16 -6.705 2.070 -23.501
96 HD12 LEU 16 2HD1 LEU 16 -6.259 3.764 -23.699
97 HD13 LEU 16 3HD1 LEU 16 -6.544 3.111 -22.086
98 HD21 LEU 16 3HD2 LEU 16 -3.473 0.972 -22.116
99 HD22 LEU 16 1HD2 LEU 16 -5.107 0.464 -22.542
100 HD23 LEU 16 2HD2 LEU 16 -4.839 1.457 -21.110
101 H GLY 17 HN GLY 17 -3.743 5.095 -23.056
102 HA2 GLY 17 1HA GLY 17 -5.592 6.602 -24.600
103 HA3 GLY 17 2HA GLY 17 -4.933 7.063 -23.037
104 H GLY 18 HN GLY 18 -2.196 7.113 -23.733
105 HA2 GLY 18 1HA GLY 18 -2.013 9.731 -24.807
106 HA3 GLY 18 2HA GLY 18 -0.662 8.661 -24.463
107 H TYR 19 HN TYR 19 -1.658 6.546 -26.223
108 HA TYR 19 HA TYR 19 -0.410 7.421 -28.628
109 HB2 TYR 19 1HB TYR 19 -0.215 5.108 -27.899
110 HB3 TYR 19 2HB TYR 19 -1.958 4.896 -28.012
111 HD1 TYR 19 HD2 TYR 19 -0.527 6.914 -30.614
112 HD2 TYR 19 HD1 TYR 19 -1.349 2.904 -29.454
113 HE1 TYR 19 HE2 TYR 19 -0.285 6.194 -32.953
114 HE2 TYR 19 HE1 TYR 19 -1.108 2.173 -31.790
115 HH TYR 19 HH TYR 19 -1.411 3.528 -34.183
116 H MET 20 HN MET 20 -3.723 6.230 -28.030
117 HA MET 20 HA MET 20 -4.810 6.832 -30.495
118 HB2 MET 20 1HB MET 20 -7.001 7.066 -29.199
119 HB3 MET 20 2HB MET 20 -6.134 5.545 -29.038
120 HG2 MET 20 1HG MET 20 -5.098 6.629 -26.936
121 HG3 MET 20 2HG MET 20 -6.449 7.755 -27.055
122 HE1 MET 20 3HE MET 20 -5.621 4.204 -27.656
123 HE2 MET 20 1HE MET 20 -6.456 3.296 -26.394
124 HE3 MET 20 2HE MET 20 -7.283 3.668 -27.906
125 H LEU 21 HN LEU 21 -5.107 8.859 -27.570
126 HA LEU 21 HA LEU 21 -6.188 11.086 -28.892
127 HB2 LEU 21 1HB LEU 21 -5.469 10.385 -26.261
128 HB3 LEU 21 2HB LEU 21 -4.636 11.895 -26.624
129 HG LEU 21 HG LEU 21 -7.097 12.544 -27.466
130 HD11 LEU 21 1HD1 LEU 21 -8.376 11.542 -25.268
131 HD12 LEU 21 2HD1 LEU 21 -7.422 10.162 -25.811
132 HD13 LEU 21 3HD1 LEU 21 -8.553 10.942 -26.917
133 HD21 LEU 21 3HD2 LEU 21 -6.643 12.693 -24.531
134 HD22 LEU 21 1HD2 LEU 21 -7.160 13.944 -25.663
135 HD23 LEU 21 2HD2 LEU 21 -5.466 13.455 -25.602
136 H GLY 22 HN GLY 22 -2.928 9.958 -28.559
137 HA2 GLY 22 1HA GLY 22 -1.635 12.439 -29.135
138 HA3 GLY 22 2HA GLY 22 -0.903 10.843 -29.209
139 H SER 23 HN SER 23 -2.207 9.534 -31.122
140 HA SER 23 HA SER 23 -1.268 10.805 -33.506
141 HB2 SER 23 1HB SER 23 -1.071 8.639 -34.052
142 HB3 SER 23 2HB SER 23 -2.095 8.155 -32.700
143 HG SER 23 HG SER 23 -2.696 8.033 -35.232
144 H ALA 24 HN ALA 24 -4.351 10.431 -31.941
145 HA ALA 24 HA ALA 24 -6.020 10.983 -34.151
146 HB1 ALA 24 1HB ALA 24 -6.783 9.989 -32.008
147 HB2 ALA 24 2HB ALA 24 -6.589 11.570 -31.250
148 HB3 ALA 24 3HB ALA 24 -7.766 11.351 -32.545
149 H MET 25 HN MET 25 -4.585 13.075 -31.670
150 HA MET 25 HA MET 25 -5.748 15.458 -32.786
151 HB2 MET 25 1HB MET 25 -4.349 14.728 -30.383
152 HB3 MET 25 2HB MET 25 -3.599 16.151 -31.093
153 HG2 MET 25 1HG MET 25 -5.411 17.464 -30.732
154 HG3 MET 25 2HG MET 25 -6.550 16.130 -30.899
155 HE1 MET 25 3HE MET 25 -8.075 16.041 -28.442
156 HE2 MET 25 1HE MET 25 -7.464 17.352 -27.431
157 HE3 MET 25 2HE MET 25 -7.663 17.596 -29.166
158 H SER 26 HN SER 26 -2.799 13.670 -33.153
159 HA SER 26 HA SER 26 -1.261 15.782 -34.304
160 HB2 SER 26 1HB SER 26 -0.950 12.826 -34.009
161 HB3 SER 26 2HB SER 26 0.051 13.656 -35.201
162 HG SER 26 HG SER 26 -0.150 14.653 -32.577
163 H ARG 27 HN ARG 27 -3.455 13.353 -35.537
164 HA ARG 27 HA ARG 27 -2.869 14.168 -38.293
165 HB2 ARG 27 1HB ARG 27 -4.143 11.764 -37.054
166 HB3 ARG 27 2HB ARG 27 -4.576 12.200 -38.702
167 HG2 ARG 27 1HG ARG 27 -2.851 10.788 -39.129
168 HG3 ARG 27 2HG ARG 27 -1.951 12.300 -38.985
169 HD2 ARG 27 1HD ARG 27 -1.388 11.789 -36.691
170 HD3 ARG 27 2HD ARG 27 -2.388 10.337 -36.738
171 HE ARG 27 HE ARG 27 -0.675 9.239 -37.780
172 HH11 ARG 27 1HH1 ARG 27 -0.119 12.670 -37.992
173 HH12 ARG 27 2HH1 ARG 27 1.470 12.503 -38.663
174 HH21 ARG 27 1HH2 ARG 27 1.416 9.007 -38.662
175 HH22 ARG 27 2HH2 ARG 27 2.341 10.419 -39.045
Start of MODEL 8
1 H1 LYS 1 HN LYS 1 0.721 0.637 0.288
2 HA LYS 1 HA LYS 1 3.162 0.938 -1.330
3 HB2 LYS 1 1HB LYS 1 3.106 -1.507 -1.745
4 HB3 LYS 1 2HB LYS 1 3.407 -1.104 -0.060
5 HG2 LYS 1 1HG LYS 1 1.839 -2.652 0.337
6 HG3 LYS 1 2HG LYS 1 0.715 -1.344 -0.041
7 HD2 LYS 1 1HD LYS 1 0.258 -2.168 -2.149
8 HD3 LYS 1 2HD LYS 1 1.786 -3.047 -2.249
9 HE2 LYS 1 1HE LYS 1 0.200 -4.729 -1.960
10 HE3 LYS 1 2HE LYS 1 0.847 -4.484 -0.338
11 HZ1 LYS 1 3HZ LYS 1 -1.438 -4.545 -0.031
12 HZ2 LYS 1 1HZ LYS 1 -1.766 -3.645 -1.425
13 HZ3 LYS 1 2HZ LYS 1 -1.110 -2.886 -0.063
14 H HIS 2 HN HIS 2 0.405 2.012 -1.586
15 HA HIS 2 HA HIS 2 -0.875 0.594 -3.713
16 HB2 HIS 2 1HB HIS 2 -1.842 2.331 -1.983
17 HB3 HIS 2 2HB HIS 2 -1.373 3.502 -3.212
18 HD1 HIS 2 HD1 HIS 2 -3.472 0.342 -2.950
19 HD2 HIS 2 HD2 HIS 2 -3.250 3.870 -5.132
20 HE1 HIS 2 HE1 HIS 2 -5.504 0.345 -4.431
21 H MET 3 HN MET 3 1.959 2.190 -3.690
22 HA MET 3 HA MET 3 1.816 3.858 -5.966
23 HB2 MET 3 1HB MET 3 4.336 3.520 -6.003
24 HB3 MET 3 2HB MET 3 3.658 4.187 -4.523
25 HG2 MET 3 1HG MET 3 4.701 2.600 -3.397
26 HG3 MET 3 2HG MET 3 3.646 1.418 -4.168
27 HE1 MET 3 3HE MET 3 5.731 -0.802 -4.517
28 HE2 MET 3 1HE MET 3 4.210 -0.293 -5.251
29 HE3 MET 3 2HE MET 3 5.610 -0.631 -6.269
30 H ALA 4 HN ALA 4 2.315 0.424 -5.548
31 HA ALA 4 HA ALA 4 3.250 -0.091 -8.191
32 HB1 ALA 4 1HB ALA 4 3.834 -1.767 -6.720
33 HB2 ALA 4 2HB ALA 4 2.252 -1.781 -5.940
34 HB3 ALA 4 3HB ALA 4 2.450 -2.485 -7.545
35 H GLY 5 HN GLY 5 0.078 -0.093 -6.643
36 HA2 GLY 5 1HA GLY 5 -1.310 -1.202 -8.879
37 HA3 GLY 5 2HA GLY 5 -2.039 -0.386 -7.503
38 H ALA 6 HN ALA 6 -0.927 2.117 -7.661
39 HA ALA 6 HA ALA 6 -2.506 3.317 -9.683
40 HB1 ALA 6 1HB ALA 6 -0.605 5.192 -8.757
41 HB2 ALA 6 2HB ALA 6 -2.298 5.030 -8.291
42 HB3 ALA 6 3HB ALA 6 -1.050 4.170 -7.389
43 H ALA 7 HN ALA 7 0.927 2.591 -9.407
44 HA ALA 7 HA ALA 7 1.727 4.049 -11.718
45 HB1 ALA 7 1HB ALA 7 3.853 2.985 -11.463
46 HB2 ALA 7 2HB ALA 7 3.246 3.384 -9.855
47 HB3 ALA 7 3HB ALA 7 3.158 1.724 -10.444
48 H ALA 8 HN ALA 8 0.849 0.676 -11.119
49 HA ALA 8 HA ALA 8 1.488 -0.293 -13.696
50 HB1 ALA 8 1HB ALA 8 0.338 -2.276 -13.085
51 HB2 ALA 8 2HB ALA 8 1.125 -1.674 -11.626
52 HB3 ALA 8 3HB ALA 8 -0.606 -1.430 -11.858
53 H ALA 9 HN ALA 9 -1.571 0.814 -12.265
54 HA ALA 9 HA ALA 9 -3.114 0.392 -14.614
55 HB1 ALA 9 1HB ALA 9 -4.896 1.250 -13.440
56 HB2 ALA 9 2HB ALA 9 -3.854 0.698 -12.128
57 HB3 ALA 9 3HB ALA 9 -3.898 2.407 -12.559
58 H GLY 10 HN GLY 10 -1.345 3.148 -13.309
59 HA2 GLY 10 1HA GLY 10 -2.347 5.032 -15.210
60 HA3 GLY 10 2HA GLY 10 -0.955 5.254 -14.161
61 H ALA 11 HN ALA 11 0.482 2.938 -15.078
62 HA ALA 11 HA ALA 11 1.806 4.095 -17.312
63 HB1 ALA 11 1HB ALA 11 2.136 1.297 -16.245
64 HB2 ALA 11 2HB ALA 11 3.293 2.223 -17.202
65 HB3 ALA 11 3HB ALA 11 2.914 2.721 -15.553
66 H VAL 12 HN VAL 12 -0.342 1.303 -16.921
67 HA VAL 12 HA VAL 12 -0.184 0.398 -19.592
68 HB VAL 12 HB VAL 12 -2.383 -0.740 -19.069
69 HG11 VAL 12 1HG1 VAL 12 -0.019 -1.112 -17.238
70 HG12 VAL 12 2HG1 VAL 12 -1.357 -2.255 -17.367
71 HG13 VAL 12 3HG1 VAL 12 -0.333 -1.933 -18.766
72 HG21 VAL 12 3HG2 VAL 12 -2.028 0.892 -16.605
73 HG22 VAL 12 1HG2 VAL 12 -3.498 0.487 -17.490
74 HG23 VAL 12 2HG2 VAL 12 -2.732 -0.718 -16.456
75 H VAL 13 HN VAL 13 -2.708 2.303 -17.941
76 HA VAL 13 HA VAL 13 -4.275 2.782 -20.220
77 HB VAL 13 HB VAL 13 -4.015 4.524 -17.764
78 HG11 VAL 13 1HG1 VAL 13 -5.263 5.888 -19.058
79 HG12 VAL 13 2HG1 VAL 13 -5.769 4.584 -20.134
80 HG13 VAL 13 3HG1 VAL 13 -6.566 4.803 -18.576
81 HG21 VAL 13 3HG2 VAL 13 -5.208 3.033 -16.611
82 HG22 VAL 13 1HG2 VAL 13 -6.356 2.822 -17.933
83 HG23 VAL 13 2HG2 VAL 13 -4.860 1.889 -17.907
84 H GLY 14 HN GLY 14 -1.592 4.596 -18.798
85 HA2 GLY 14 1HA GLY 14 -1.790 6.874 -20.451
86 HA3 GLY 14 2HA GLY 14 -0.347 6.352 -19.596
87 H GLY 15 HN GLY 15 -0.263 3.751 -20.934
88 HA2 GLY 15 1HA GLY 15 1.295 4.532 -23.193
89 HA3 GLY 15 2HA GLY 15 0.915 2.884 -22.713
90 H LEU 16 HN LEU 16 -1.771 2.740 -22.905
91 HA LEU 16 HA LEU 16 -2.164 2.589 -25.722
92 HB2 LEU 16 1HB LEU 16 -4.453 1.853 -25.113
93 HB3 LEU 16 2HB LEU 16 -3.169 0.934 -24.331
94 HG LEU 16 HG LEU 16 -3.832 2.964 -22.525
95 HD11 LEU 16 1HD1 LEU 16 -6.325 1.658 -23.603
96 HD12 LEU 16 2HD1 LEU 16 -5.878 3.346 -23.846
97 HD13 LEU 16 3HD1 LEU 16 -6.216 2.749 -22.222
98 HD21 LEU 16 3HD2 LEU 16 -4.538 1.140 -21.129
99 HD22 LEU 16 1HD2 LEU 16 -3.138 0.624 -22.071
100 HD23 LEU 16 2HD2 LEU 16 -4.756 0.094 -22.533
101 H GLY 17 HN GLY 17 -3.389 4.710 -23.167
102 HA2 GLY 17 1HA GLY 17 -5.189 6.152 -24.828
103 HA3 GLY 17 2HA GLY 17 -4.585 6.672 -23.261
104 H GLY 18 HN GLY 18 -1.825 6.709 -23.865
105 HA2 GLY 18 1HA GLY 18 -1.614 9.287 -25.026
106 HA3 GLY 18 2HA GLY 18 -0.272 8.236 -24.598
107 H TYR 19 HN TYR 19 -1.201 6.054 -26.313
108 HA TYR 19 HA TYR 19 0.125 6.847 -28.704
109 HB2 TYR 19 1HB TYR 19 0.302 4.562 -27.885
110 HB3 TYR 19 2HB TYR 19 -1.436 4.339 -28.050
111 HD1 TYR 19 HD1 TYR 19 0.078 6.269 -30.673
112 HD2 TYR 19 HD2 TYR 19 -0.774 2.300 -29.398
113 HE1 TYR 19 HE1 TYR 19 0.403 5.467 -32.975
114 HE2 TYR 19 HE2 TYR 19 -0.450 1.486 -31.697
115 HH TYR 19 HH TYR 19 -0.523 2.357 -33.984
116 H MET 20 HN MET 20 -3.203 5.664 -28.176
117 HA MET 20 HA MET 20 -4.207 6.172 -30.697
118 HB2 MET 20 1HB MET 20 -6.442 6.444 -29.485
119 HB3 MET 20 2HB MET 20 -5.576 4.932 -29.240
120 HG2 MET 20 1HG MET 20 -4.616 6.097 -27.144
121 HG3 MET 20 2HG MET 20 -5.965 7.212 -27.350
122 HE1 MET 20 3HE MET 20 -5.980 2.781 -26.526
123 HE2 MET 20 1HE MET 20 -6.758 3.092 -28.079
124 HE3 MET 20 2HE MET 20 -5.108 3.645 -27.793
125 H LEU 21 HN LEU 21 -4.610 8.302 -27.858
126 HA LEU 21 HA LEU 21 -5.652 10.475 -29.296
127 HB2 LEU 21 1HB LEU 21 -5.022 9.873 -26.619
128 HB3 LEU 21 2HB LEU 21 -4.179 11.371 -27.007
129 HG LEU 21 HG LEU 21 -6.372 12.313 -27.761
130 HD11 LEU 21 1HD1 LEU 21 -8.411 11.218 -27.178
131 HD12 LEU 21 2HD1 LEU 21 -7.543 9.904 -26.384
132 HD13 LEU 21 3HD1 LEU 21 -7.447 10.093 -28.134
133 HD21 LEU 21 3HD2 LEU 21 -6.070 11.398 -24.906
134 HD22 LEU 21 1HD2 LEU 21 -7.253 12.591 -25.442
135 HD23 LEU 21 2HD2 LEU 21 -5.529 12.923 -25.610
136 H GLY 22 HN GLY 22 -2.402 9.374 -28.813
137 HA2 GLY 22 1HA GLY 22 -1.098 11.838 -29.435
138 HA3 GLY 22 2HA GLY 22 -0.358 10.244 -29.426
139 H SER 23 HN SER 23 -1.592 8.860 -31.333
140 HA SER 23 HA SER 23 -0.577 10.049 -33.728
141 HB2 SER 23 1HB SER 23 -0.356 7.865 -34.189
142 HB3 SER 23 2HB SER 23 -1.422 7.425 -32.855
143 HG SER 23 HG SER 23 -2.971 7.112 -34.234
144 H ALA 24 HN ALA 24 -3.710 9.718 -32.255
145 HA ALA 24 HA ALA 24 -5.305 10.182 -34.540
146 HB1 ALA 24 1HB ALA 24 -7.106 10.601 -33.009
147 HB2 ALA 24 2HB ALA 24 -6.138 9.264 -32.388
148 HB3 ALA 24 3HB ALA 24 -5.975 10.872 -31.683
149 H MET 25 HN MET 25 -3.962 12.369 -32.089
150 HA MET 25 HA MET 25 -5.094 14.705 -33.330
151 HB2 MET 25 1HB MET 25 -3.775 14.069 -30.856
152 HB3 MET 25 2HB MET 25 -3.005 15.468 -31.592
153 HG2 MET 25 1HG MET 25 -4.912 16.755 -31.465
154 HG3 MET 25 2HG MET 25 -5.976 15.354 -31.376
155 HE1 MET 25 3HE MET 25 -2.708 15.515 -29.209
156 HE2 MET 25 1HE MET 25 -3.088 17.215 -29.489
157 HE3 MET 25 2HE MET 25 -3.227 16.536 -27.867
158 H SER 26 HN SER 26 -2.128 12.918 -33.532
159 HA SER 26 HA SER 26 -0.559 14.993 -34.707
160 HB2 SER 26 1HB SER 26 -0.243 12.016 -34.433
161 HB3 SER 26 2HB SER 26 0.872 12.948 -35.431
162 HG SER 26 HG SER 26 1.172 12.581 -32.950
163 H ARG 27 HN ARG 27 -2.702 12.512 -35.923
164 HA ARG 27 HA ARG 27 -3.460 12.003 -38.010
165 HB2 ARG 27 1HB ARG 27 -2.942 14.959 -38.222
166 HB3 ARG 27 2HB ARG 27 -3.594 14.046 -39.575
167 HG2 ARG 27 1HG ARG 27 -5.630 14.199 -38.730
168 HG3 ARG 27 2HG ARG 27 -5.097 13.411 -37.243
169 HD2 ARG 27 1HD ARG 27 -4.839 15.378 -36.132
170 HD3 ARG 27 2HD ARG 27 -4.386 16.264 -37.587
171 HE ARG 27 HE ARG 27 -6.996 15.732 -38.002
172 HH11 ARG 27 1HH1 ARG 27 -5.260 17.119 -35.323
173 HH12 ARG 27 2HH1 ARG 27 -6.581 18.119 -34.816
174 HH21 ARG 27 1HH2 ARG 27 -8.742 17.043 -37.345
175 HH22 ARG 27 2HH2 ARG 27 -8.562 18.074 -35.966
Start of MODEL 9
1 H1 LYS 1 HN LYS 1 3.373 1.377 -0.172
2 HA LYS 1 HA LYS 1 3.097 -0.926 -1.420
3 HB2 LYS 1 1HB LYS 1 2.138 -0.239 0.858
4 HB3 LYS 1 2HB LYS 1 0.668 0.169 -0.016
5 HG2 LYS 1 1HG LYS 1 1.828 -2.527 -0.445
6 HG3 LYS 1 2HG LYS 1 1.032 -2.200 1.096
7 HD2 LYS 1 1HD LYS 1 -0.249 -1.629 -1.569
8 HD3 LYS 1 2HD LYS 1 -0.431 -3.168 -0.725
9 HE2 LYS 1 1HE LYS 1 -0.993 -0.657 0.769
10 HE3 LYS 1 2HE LYS 1 -2.172 -1.201 -0.424
11 HZ1 LYS 1 3HZ LYS 1 -2.074 -2.032 2.135
12 HZ2 LYS 1 1HZ LYS 1 -1.242 -3.277 1.347
13 HZ3 LYS 1 2HZ LYS 1 -2.818 -2.882 0.876
14 H HIS 2 HN HIS 2 0.478 1.486 -1.686
15 HA HIS 2 HA HIS 2 -0.760 0.108 -3.863
16 HB2 HIS 2 1HB HIS 2 -1.913 1.616 -2.162
17 HB3 HIS 2 2HB HIS 2 -1.253 2.976 -3.066
18 HD1 HIS 2 HD1 HIS 2 -3.460 -0.056 -3.692
19 HD2 HIS 2 HD2 HIS 2 -2.835 3.800 -5.107
20 HE1 HIS 2 HE1 HIS 2 -5.271 0.338 -5.391
21 H MET 3 HN MET 3 2.040 1.761 -3.773
22 HA MET 3 HA MET 3 1.875 3.495 -5.997
23 HB2 MET 3 1HB MET 3 4.400 3.213 -6.029
24 HB3 MET 3 2HB MET 3 3.702 3.814 -4.531
25 HG2 MET 3 1HG MET 3 4.783 2.215 -3.459
26 HG3 MET 3 2HG MET 3 3.745 1.040 -4.261
27 HE1 MET 3 3HE MET 3 4.338 -0.635 -5.386
28 HE2 MET 3 1HE MET 3 5.747 -0.929 -6.406
29 HE3 MET 3 2HE MET 3 5.867 -1.129 -4.658
30 H ALA 4 HN ALA 4 2.440 0.060 -5.683
31 HA ALA 4 HA ALA 4 3.401 -0.354 -8.334
32 HB1 ALA 4 1HB ALA 4 4.010 -2.067 -6.924
33 HB2 ALA 4 2HB ALA 4 2.432 -2.128 -6.138
34 HB3 ALA 4 3HB ALA 4 2.634 -2.782 -7.763
35 H GLY 5 HN GLY 5 0.219 -0.467 -6.808
36 HA2 GLY 5 1HA GLY 5 -1.132 -1.531 -9.087
37 HA3 GLY 5 2HA GLY 5 -1.886 -0.774 -7.692
38 H ALA 6 HN ALA 6 -0.823 1.754 -7.763
39 HA ALA 6 HA ALA 6 -2.414 2.986 -9.757
40 HB1 ALA 6 1HB ALA 6 -0.555 4.868 -8.760
41 HB2 ALA 6 2HB ALA 6 -2.248 4.658 -8.310
42 HB3 ALA 6 3HB ALA 6 -0.987 3.795 -7.428
43 H ALA 7 HN ALA 7 1.032 2.320 -9.482
44 HA ALA 7 HA ALA 7 1.815 3.865 -11.741
45 HB1 ALA 7 1HB ALA 7 3.336 3.173 -9.890
46 HB2 ALA 7 2HB ALA 7 3.285 1.530 -10.531
47 HB3 ALA 7 3HB ALA 7 3.961 2.836 -11.505
48 H ALA 8 HN ALA 8 1.002 0.458 -11.252
49 HA ALA 8 HA ALA 8 1.675 -0.417 -13.855
50 HB1 ALA 8 1HB ALA 8 -0.407 -1.652 -12.067
51 HB2 ALA 8 2HB ALA 8 0.562 -2.441 -13.312
52 HB3 ALA 8 3HB ALA 8 1.327 -1.868 -11.830
53 H ALA 9 HN ALA 9 -1.414 0.585 -12.410
54 HA ALA 9 HA ALA 9 -2.934 0.205 -14.781
55 HB1 ALA 9 1HB ALA 9 -3.503 1.839 -12.312
56 HB2 ALA 9 2HB ALA 9 -4.668 1.524 -13.599
57 HB3 ALA 9 3HB ALA 9 -4.030 0.188 -12.640
58 H GLY 10 HN GLY 10 -1.228 2.954 -13.379
59 HA2 GLY 10 1HA GLY 10 -2.256 4.876 -15.227
60 HA3 GLY 10 2HA GLY 10 -0.875 5.092 -14.163
61 H ALA 11 HN ALA 11 0.613 2.835 -15.141
62 HA ALA 11 HA ALA 11 1.927 4.088 -17.330
63 HB1 ALA 11 1HB ALA 11 2.309 1.262 -16.358
64 HB2 ALA 11 2HB ALA 11 3.454 2.251 -17.265
65 HB3 ALA 11 3HB ALA 11 3.045 2.675 -15.603
66 H VAL 12 HN VAL 12 -0.167 1.242 -17.040
67 HA VAL 12 HA VAL 12 0.024 0.425 -19.737
68 HB VAL 12 HB VAL 12 -2.154 -0.772 -19.264
69 HG11 VAL 12 1HG1 VAL 12 -1.108 -2.317 -17.599
70 HG12 VAL 12 2HG1 VAL 12 -0.085 -1.935 -18.985
71 HG13 VAL 12 3HG1 VAL 12 0.206 -1.154 -17.431
72 HG21 VAL 12 3HG2 VAL 12 -1.846 0.789 -16.748
73 HG22 VAL 12 1HG2 VAL 12 -3.303 0.383 -17.655
74 HG23 VAL 12 2HG2 VAL 12 -2.519 -0.839 -16.654
75 H VAL 13 HN VAL 13 -2.547 2.227 -18.044
76 HA VAL 13 HA VAL 13 -4.109 2.747 -20.317
77 HB VAL 13 HB VAL 13 -3.899 4.415 -17.806
78 HG11 VAL 13 1HG1 VAL 13 -6.491 4.527 -18.768
79 HG12 VAL 13 2HG1 VAL 13 -5.271 5.796 -18.893
80 HG13 VAL 13 3HG1 VAL 13 -5.494 4.652 -20.217
81 HG21 VAL 13 3HG2 VAL 13 -5.068 2.865 -16.708
82 HG22 VAL 13 1HG2 VAL 13 -6.205 2.673 -18.043
83 HG23 VAL 13 2HG2 VAL 13 -4.690 1.770 -18.037
84 H GLY 14 HN GLY 14 -1.471 4.567 -18.822
85 HA2 GLY 14 1HA GLY 14 -1.706 6.892 -20.404
86 HA3 GLY 14 2HA GLY 14 -0.257 6.372 -19.556
87 H GLY 15 HN GLY 15 -0.113 3.817 -20.974
88 HA2 GLY 15 1HA GLY 15 1.442 4.698 -23.197
89 HA3 GLY 15 2HA GLY 15 1.093 3.029 -22.772
90 H LEU 16 HN LEU 16 -1.589 2.838 -22.986
91 HA LEU 16 HA LEU 16 -1.962 2.768 -25.809
92 HB2 LEU 16 1HB LEU 16 -4.240 1.968 -25.238
93 HB3 LEU 16 2HB LEU 16 -2.942 1.050 -24.477
94 HG LEU 16 HG LEU 16 -3.655 3.008 -22.612
95 HD11 LEU 16 1HD1 LEU 16 -5.701 3.391 -23.934
96 HD12 LEU 16 2HD1 LEU 16 -6.037 2.736 -22.331
97 HD13 LEU 16 3HD1 LEU 16 -6.116 1.686 -23.746
98 HD21 LEU 16 3HD2 LEU 16 -4.523 0.123 -22.715
99 HD22 LEU 16 1HD2 LEU 16 -4.332 1.128 -21.279
100 HD23 LEU 16 2HD2 LEU 16 -2.918 0.669 -22.228
101 H GLY 17 HN GLY 17 -3.244 4.782 -23.197
102 HA2 GLY 17 1HA GLY 17 -5.063 6.240 -24.823
103 HA3 GLY 17 2HA GLY 17 -4.479 6.722 -23.236
104 H GLY 18 HN GLY 18 -1.717 6.833 -23.821
105 HA2 GLY 18 1HA GLY 18 -1.551 9.450 -24.899
106 HA3 GLY 18 2HA GLY 18 -0.191 8.413 -24.496
107 H TYR 19 HN TYR 19 -1.066 6.268 -26.284
108 HA TYR 19 HA TYR 19 0.258 7.162 -28.640
109 HB2 TYR 19 1HB TYR 19 0.477 4.857 -27.893
110 HB3 TYR 19 2HB TYR 19 -1.255 4.604 -28.076
111 HD1 TYR 19 HD1 TYR 19 0.235 6.645 -30.627
112 HD2 TYR 19 HD2 TYR 19 -0.544 2.622 -29.483
113 HE1 TYR 19 HE1 TYR 19 0.590 5.923 -32.951
114 HE2 TYR 19 HE2 TYR 19 -0.191 1.888 -31.804
115 HH TYR 19 HH TYR 19 -0.053 2.631 -33.969
116 H MET 20 HN MET 20 -3.048 5.897 -28.171
117 HA MET 20 HA MET 20 -4.048 6.464 -30.682
118 HB2 MET 20 1HB MET 20 -6.294 6.652 -29.476
119 HB3 MET 20 2HB MET 20 -5.400 5.152 -29.273
120 HG2 MET 20 1HG MET 20 -4.475 6.269 -27.136
121 HG3 MET 20 2HG MET 20 -5.845 7.362 -27.316
122 HE1 MET 20 3HE MET 20 -4.913 3.829 -27.865
123 HE2 MET 20 1HE MET 20 -5.777 2.907 -26.633
124 HE3 MET 20 2HE MET 20 -6.551 3.254 -28.179
125 H LEU 21 HN LEU 21 -4.510 8.495 -27.780
126 HA LEU 21 HA LEU 21 -5.587 10.691 -29.156
127 HB2 LEU 21 1HB LEU 21 -4.962 10.017 -26.495
128 HB3 LEU 21 2HB LEU 21 -4.146 11.543 -26.831
129 HG LEU 21 HG LEU 21 -6.514 12.242 -27.734
130 HD11 LEU 21 1HD1 LEU 21 -7.394 10.347 -25.594
131 HD12 LEU 21 2HD1 LEU 21 -7.297 9.821 -27.274
132 HD13 LEU 21 3HD1 LEU 21 -8.351 11.163 -26.830
133 HD21 LEU 21 3HD2 LEU 21 -5.211 12.355 -25.141
134 HD22 LEU 21 1HD2 LEU 21 -6.966 12.489 -25.021
135 HD23 LEU 21 2HD2 LEU 21 -6.064 13.614 -26.036
136 H GLY 22 HN GLY 22 -2.319 9.640 -28.687
137 HA2 GLY 22 1HA GLY 22 -1.061 12.149 -29.222
138 HA3 GLY 22 2HA GLY 22 -0.289 10.570 -29.258
139 H SER 23 HN SER 23 -1.484 9.223 -31.216
140 HA SER 23 HA SER 23 -0.479 10.506 -33.566
141 HB2 SER 23 1HB SER 23 -0.210 8.343 -34.093
142 HB3 SER 23 2HB SER 23 -1.277 7.840 -32.781
143 HG SER 23 HG SER 23 -1.818 7.510 -35.217
144 H ALA 24 HN ALA 24 -3.613 10.066 -32.125
145 HA ALA 24 HA ALA 24 -5.203 10.571 -34.404
146 HB1 ALA 24 1HB ALA 24 -6.029 9.568 -32.288
147 HB2 ALA 24 2HB ALA 24 -5.904 11.156 -31.531
148 HB3 ALA 24 3HB ALA 24 -7.022 10.904 -32.872
149 H MET 25 HN MET 25 -3.919 12.706 -31.877
150 HA MET 25 HA MET 25 -5.090 15.056 -33.051
151 HB2 MET 25 1HB MET 25 -3.775 14.369 -30.589
152 HB3 MET 25 2HB MET 25 -3.028 15.805 -31.276
153 HG2 MET 25 1HG MET 25 -5.322 16.786 -31.481
154 HG3 MET 25 2HG MET 25 -5.918 15.407 -30.559
155 HE1 MET 25 3HE MET 25 -5.868 16.685 -27.166
156 HE2 MET 25 1HE MET 25 -6.719 15.936 -28.518
157 HE3 MET 25 2HE MET 25 -5.342 15.116 -27.780
158 H SER 26 HN SER 26 -2.089 13.336 -33.290
159 HA SER 26 HA SER 26 -0.554 15.479 -34.388
160 HB2 SER 26 1HB SER 26 -0.187 12.538 -34.047
161 HB3 SER 26 2HB SER 26 0.830 13.365 -35.226
162 HG SER 26 HG SER 26 0.548 14.465 -32.664
163 H ARG 27 HN ARG 27 -2.639 12.994 -35.696
164 HA ARG 27 HA ARG 27 -3.416 12.571 -37.793
165 HB2 ARG 27 1HB ARG 27 -2.657 15.431 -38.395
166 HB3 ARG 27 2HB ARG 27 -3.885 14.461 -39.197
167 HG2 ARG 27 1HG ARG 27 -4.014 15.240 -36.295
168 HG3 ARG 27 2HG ARG 27 -4.758 16.168 -37.599
169 HD2 ARG 27 1HD ARG 27 -5.331 13.254 -37.110
170 HD3 ARG 27 2HD ARG 27 -6.274 14.556 -36.386
171 HE ARG 27 HE ARG 27 -6.050 14.762 -39.239
172 HH11 ARG 27 1HH1 ARG 27 -7.820 13.315 -36.614
173 HH12 ARG 27 2HH1 ARG 27 -9.266 13.090 -37.541
174 HH21 ARG 27 1HH2 ARG 27 -7.948 14.471 -40.471
175 HH22 ARG 27 2HH2 ARG 27 -9.338 13.746 -39.735
Start of MODEL 10
1 H1 LYS 1 HN LYS 1 2.096 1.262 -0.020
2 HA LYS 1 HA LYS 1 3.318 -0.564 -1.843
3 HB2 LYS 1 1HB LYS 1 2.435 -1.239 0.372
4 HB3 LYS 1 2HB LYS 1 0.805 -0.903 -0.196
5 HG2 LYS 1 1HG LYS 1 1.365 -2.601 -2.064
6 HG3 LYS 1 2HG LYS 1 2.661 -3.109 -0.979
7 HD2 LYS 1 1HD LYS 1 1.120 -3.695 0.728
8 HD3 LYS 1 2HD LYS 1 -0.215 -2.901 -0.111
9 HE2 LYS 1 1HE LYS 1 -0.656 -5.043 -0.724
10 HE3 LYS 1 2HE LYS 1 0.478 -4.632 -2.010
11 HZ1 LYS 1 3HZ LYS 1 2.072 -5.501 0.018
12 HZ2 LYS 1 1HZ LYS 1 1.615 -6.404 -1.338
13 HZ3 LYS 1 2HZ LYS 1 0.742 -6.543 0.103
14 H HIS 2 HN HIS 2 0.425 1.385 -1.859
15 HA HIS 2 HA HIS 2 -0.834 0.038 -4.044
16 HB2 HIS 2 1HB HIS 2 -2.344 1.995 -4.082
17 HB3 HIS 2 2HB HIS 2 -2.166 1.325 -2.463
18 HD1 HIS 2 HD1 HIS 2 -0.661 4.145 -4.530
19 HD2 HIS 2 HD2 HIS 2 -1.600 3.197 -0.595
20 HE1 HIS 2 HE1 HIS 2 -0.143 6.214 -3.198
21 H MET 3 HN MET 3 1.946 1.725 -3.967
22 HA MET 3 HA MET 3 1.719 3.505 -6.149
23 HB2 MET 3 1HB MET 3 4.248 3.254 -6.231
24 HB3 MET 3 2HB MET 3 3.568 3.820 -4.712
25 HG2 MET 3 1HG MET 3 4.673 2.211 -3.680
26 HG3 MET 3 2HG MET 3 3.651 1.036 -4.505
27 HE1 MET 3 3HE MET 3 4.259 -0.590 -5.685
28 HE2 MET 3 1HE MET 3 5.656 -0.824 -6.736
29 HE3 MET 3 2HE MET 3 5.806 -1.090 -4.999
30 H ALA 4 HN ALA 4 2.337 0.073 -5.920
31 HA ALA 4 HA ALA 4 3.254 -0.270 -8.597
32 HB1 ALA 4 1HB ALA 4 2.544 -2.720 -8.072
33 HB2 ALA 4 2HB ALA 4 3.912 -2.000 -7.222
34 HB3 ALA 4 3HB ALA 4 2.340 -2.111 -6.430
35 H GLY 5 HN GLY 5 0.104 -0.462 -7.015
36 HA2 GLY 5 1HA GLY 5 -1.275 -1.497 -9.292
37 HA3 GLY 5 2HA GLY 5 -2.013 -0.780 -7.867
38 H ALA 6 HN ALA 6 -0.987 1.764 -7.903
39 HA ALA 6 HA ALA 6 -2.631 3.015 -9.841
40 HB1 ALA 6 1HB ALA 6 -1.173 3.794 -7.521
41 HB2 ALA 6 2HB ALA 6 -0.783 4.902 -8.838
42 HB3 ALA 6 3HB ALA 6 -2.463 4.656 -8.360
43 H ALA 7 HN ALA 7 0.828 2.392 -9.643
44 HA ALA 7 HA ALA 7 1.548 3.997 -11.882
45 HB1 ALA 7 1HB ALA 7 3.071 1.657 -10.749
46 HB2 ALA 7 2HB ALA 7 3.711 2.993 -11.707
47 HB3 ALA 7 3HB ALA 7 3.112 3.286 -10.074
48 H ALA 8 HN ALA 8 0.791 0.568 -11.452
49 HA ALA 8 HA ALA 8 1.429 -0.241 -14.085
50 HB1 ALA 8 1HB ALA 8 0.355 -2.292 -13.567
51 HB2 ALA 8 2HB ALA 8 1.138 -1.740 -12.085
52 HB3 ALA 8 3HB ALA 8 -0.603 -1.545 -12.287
53 H ALA 9 HN ALA 9 -1.647 0.685 -12.563
54 HA ALA 9 HA ALA 9 -3.205 0.334 -14.914
55 HB1 ALA 9 1HB ALA 9 -3.961 0.438 -12.446
56 HB2 ALA 9 2HB ALA 9 -3.988 2.184 -12.695
57 HB3 ALA 9 3HB ALA 9 -5.002 1.137 -13.686
58 H GLY 10 HN GLY 10 -1.514 3.077 -13.482
59 HA2 GLY 10 1HA GLY 10 -2.603 5.024 -15.269
60 HA3 GLY 10 2HA GLY 10 -1.205 5.237 -14.225
61 H ALA 11 HN ALA 11 0.297 3.024 -15.280
62 HA ALA 11 HA ALA 11 1.552 4.343 -17.464
63 HB1 ALA 11 1HB ALA 11 2.910 3.062 -15.983
64 HB2 ALA 11 2HB ALA 11 1.955 1.607 -16.271
65 HB3 ALA 11 3HB ALA 11 2.957 2.274 -17.560
66 H VAL 12 HN VAL 12 -0.495 1.462 -17.199
67 HA VAL 12 HA VAL 12 -0.341 0.705 -19.916
68 HB VAL 12 HB VAL 12 -2.493 -0.534 -19.430
69 HG11 VAL 12 1HG1 VAL 12 -0.403 -1.671 -19.212
70 HG12 VAL 12 2HG1 VAL 12 -0.096 -0.920 -17.645
71 HG13 VAL 12 3HG1 VAL 12 -1.397 -2.099 -17.820
72 HG21 VAL 12 3HG2 VAL 12 -2.815 -0.661 -16.819
73 HG22 VAL 12 1HG2 VAL 12 -2.161 0.975 -16.885
74 HG23 VAL 12 2HG2 VAL 12 -3.629 0.576 -17.777
75 H VAL 13 HN VAL 13 -2.906 2.433 -18.138
76 HA VAL 13 HA VAL 13 -4.517 2.979 -20.371
77 HB VAL 13 HB VAL 13 -4.284 4.595 -17.829
78 HG11 VAL 13 1HG1 VAL 13 -5.916 4.874 -20.206
79 HG12 VAL 13 2HG1 VAL 13 -6.896 4.686 -18.751
80 HG13 VAL 13 3HG1 VAL 13 -5.700 5.979 -18.850
81 HG21 VAL 13 3HG2 VAL 13 -5.411 3.005 -16.744
82 HG22 VAL 13 1HG2 VAL 13 -6.571 2.829 -18.061
83 HG23 VAL 13 2HG2 VAL 13 -5.045 1.945 -18.106
84 H GLY 14 HN GLY 14 -1.878 4.805 -18.884
85 HA2 GLY 14 1HA GLY 14 -2.174 7.159 -20.412
86 HA3 GLY 14 2HA GLY 14 -0.703 6.642 -19.601
87 H GLY 15 HN GLY 15 -0.549 4.120 -21.077
88 HA2 GLY 15 1HA GLY 15 0.953 5.071 -23.308
89 HA3 GLY 15 2HA GLY 15 0.635 3.389 -22.912
90 H LEU 16 HN LEU 16 -2.047 3.164 -23.082
91 HA LEU 16 HA LEU 16 -2.471 3.148 -25.899
92 HB2 LEU 16 1HB LEU 16 -4.726 2.304 -25.305
93 HB3 LEU 16 2HB LEU 16 -3.402 1.389 -24.587
94 HG LEU 16 HG LEU 16 -4.109 3.297 -22.668
95 HD11 LEU 16 1HD1 LEU 16 -6.482 2.985 -22.352
96 HD12 LEU 16 2HD1 LEU 16 -6.571 1.967 -23.789
97 HD13 LEU 16 3HD1 LEU 16 -6.183 3.680 -23.945
98 HD21 LEU 16 3HD2 LEU 16 -3.334 0.961 -22.345
99 HD22 LEU 16 1HD2 LEU 16 -4.938 0.402 -22.818
100 HD23 LEU 16 2HD2 LEU 16 -4.739 1.379 -21.363
101 H GLY 17 HN GLY 17 -3.733 5.089 -23.221
102 HA2 GLY 17 1HA GLY 17 -5.601 6.555 -24.783
103 HA3 GLY 17 2HA GLY 17 -4.995 7.011 -23.198
104 H GLY 18 HN GLY 18 -2.246 7.173 -23.828
105 HA2 GLY 18 1HA GLY 18 -2.135 9.815 -24.853
106 HA3 GLY 18 2HA GLY 18 -0.754 8.789 -24.496
107 H TYR 19 HN TYR 19 -1.631 6.670 -26.314
108 HA TYR 19 HA TYR 19 -0.362 7.633 -28.674
109 HB2 TYR 19 1HB TYR 19 -0.099 5.315 -27.980
110 HB3 TYR 19 2HB TYR 19 -1.830 5.042 -28.137
111 HD1 TYR 19 HD2 TYR 19 -0.415 7.157 -30.670
112 HD2 TYR 19 HD1 TYR 19 -1.115 3.100 -29.598
113 HE1 TYR 19 HE2 TYR 19 -0.094 6.488 -33.015
114 HE2 TYR 19 HE1 TYR 19 -0.795 2.420 -31.940
115 HH TYR 19 HH TYR 19 -0.815 3.289 -34.129
116 H MET 20 HN MET 20 -3.642 6.311 -28.174
117 HA MET 20 HA MET 20 -4.694 6.918 -30.653
118 HB2 MET 20 1HB MET 20 -6.921 7.049 -29.405
119 HB3 MET 20 2HB MET 20 -6.003 5.557 -29.250
120 HG2 MET 20 1HG MET 20 -5.055 6.641 -27.106
121 HG3 MET 20 2HG MET 20 -6.443 7.719 -27.238
122 HE1 MET 20 3HE MET 20 -6.301 3.253 -26.651
123 HE2 MET 20 1HE MET 20 -7.108 3.619 -28.176
124 HE3 MET 20 2HE MET 20 -5.474 4.211 -27.879
125 H LEU 21 HN LEU 21 -5.132 8.880 -27.702
126 HA LEU 21 HA LEU 21 -6.264 11.090 -29.011
127 HB2 LEU 21 1HB LEU 21 -5.579 10.369 -26.376
128 HB3 LEU 21 2HB LEU 21 -4.793 11.914 -26.694
129 HG LEU 21 HG LEU 21 -7.179 12.608 -27.532
130 HD11 LEU 21 1HD1 LEU 21 -8.177 10.819 -25.412
131 HD12 LEU 21 2HD1 LEU 21 -7.798 10.059 -26.957
132 HD13 LEU 21 3HD1 LEU 21 -8.960 11.384 -26.889
133 HD21 LEU 21 3HD2 LEU 21 -7.340 13.794 -25.617
134 HD22 LEU 21 1HD2 LEU 21 -5.723 13.146 -25.340
135 HD23 LEU 21 2HD2 LEU 21 -7.122 12.376 -24.590
136 H GLY 22 HN GLY 22 -2.973 10.075 -28.622
137 HA2 GLY 22 1HA GLY 22 -1.759 12.611 -29.125
138 HA3 GLY 22 2HA GLY 22 -0.967 11.045 -29.209
139 H SER 23 HN SER 23 -2.178 9.723 -31.173
140 HA SER 23 HA SER 23 -1.233 11.070 -33.513
141 HB2 SER 23 1HB SER 23 -0.944 8.922 -34.091
142 HB3 SER 23 2HB SER 23 -1.980 8.377 -32.772
143 HG SER 23 HG SER 23 -2.751 7.821 -34.900
144 H ALA 24 HN ALA 24 -4.334 10.555 -32.027
145 HA ALA 24 HA ALA 24 -5.972 11.086 -34.266
146 HB1 ALA 24 1HB ALA 24 -7.767 11.362 -32.696
147 HB2 ALA 24 2HB ALA 24 -6.747 10.027 -32.157
148 HB3 ALA 24 3HB ALA 24 -6.629 11.601 -31.370
149 H MET 25 HN MET 25 -4.672 13.185 -31.716
150 HA MET 25 HA MET 25 -5.896 15.543 -32.819
151 HB2 MET 25 1HB MET 25 -4.528 14.822 -30.396
152 HB3 MET 25 2HB MET 25 -3.811 16.281 -31.065
153 HG2 MET 25 1HG MET 25 -5.450 17.161 -29.739
154 HG3 MET 25 2HG MET 25 -6.285 17.059 -31.287
155 HE1 MET 25 3HE MET 25 -7.093 15.065 -27.381
156 HE2 MET 25 1HE MET 25 -5.964 16.341 -27.839
157 HE3 MET 25 2HE MET 25 -7.693 16.680 -27.761
158 H SER 26 HN SER 26 -2.876 13.871 -33.148
159 HA SER 26 HA SER 26 -1.391 16.057 -34.227
160 HB2 SER 26 1HB SER 26 -0.977 13.121 -33.936
161 HB3 SER 26 2HB SER 26 -0.005 13.965 -35.140
162 HG SER 26 HG SER 26 1.102 14.871 -33.597
163 H ARG 27 HN ARG 27 -3.465 13.572 -35.551
164 HA ARG 27 HA ARG 27 -2.782 14.308 -38.287
165 HB2 ARG 27 1HB ARG 27 -4.305 12.093 -37.001
166 HB3 ARG 27 2HB ARG 27 -4.723 12.527 -38.653
167 HG2 ARG 27 1HG ARG 27 -3.160 10.868 -38.963
168 HG3 ARG 27 2HG ARG 27 -2.176 12.327 -39.084
169 HD2 ARG 27 1HD ARG 27 -1.570 12.070 -36.703
170 HD3 ARG 27 2HD ARG 27 -2.488 10.566 -36.656
171 HE ARG 27 HE ARG 27 -0.727 10.213 -38.705
172 HH11 ARG 27 1HH1 ARG 27 -0.435 11.060 -35.340
173 HH12 ARG 27 2HH1 ARG 27 1.127 10.332 -35.158
174 HH21 ARG 27 1HH2 ARG 27 1.329 9.251 -38.477
175 HH22 ARG 27 2HH2 ARG 27 2.130 9.304 -36.944
Start of MODEL 11
1 H1 LYS 1 HN LYS 1 2.955 1.315 0.185
2 HA LYS 1 HA LYS 1 3.510 -0.345 -1.765
3 HB2 LYS 1 1HB LYS 1 2.565 -0.944 0.516
4 HB3 LYS 1 2HB LYS 1 0.968 -0.815 -0.209
5 HG2 LYS 1 1HG LYS 1 2.955 -2.563 -1.548
6 HG3 LYS 1 2HG LYS 1 2.250 -3.118 -0.029
7 HD2 LYS 1 1HD LYS 1 0.174 -3.367 -0.926
8 HD3 LYS 1 2HD LYS 1 0.386 -2.031 -2.060
9 HE2 LYS 1 1HE LYS 1 0.402 -3.838 -3.484
10 HE3 LYS 1 2HE LYS 1 2.124 -3.631 -3.171
11 HZ1 LYS 1 3HZ LYS 1 0.900 -5.333 -1.241
12 HZ2 LYS 1 1HZ LYS 1 2.232 -5.628 -2.241
13 HZ3 LYS 1 2HZ LYS 1 0.667 -5.921 -2.810
14 H HIS 2 HN HIS 2 0.664 1.647 -1.751
15 HA HIS 2 HA HIS 2 -0.674 0.309 -3.894
16 HB2 HIS 2 1HB HIS 2 -1.041 2.890 -2.431
17 HB3 HIS 2 2HB HIS 2 -1.867 2.664 -3.970
18 HD1 HIS 2 HD1 HIS 2 -3.657 0.737 -4.069
19 HD2 HIS 2 HD2 HIS 2 -2.127 1.528 -0.288
20 HE1 HIS 2 HE1 HIS 2 -5.224 -0.394 -2.460
21 H MET 3 HN MET 3 2.157 1.910 -3.890
22 HA MET 3 HA MET 3 1.946 3.665 -6.095
23 HB2 MET 3 1HB MET 3 4.465 3.335 -6.217
24 HB3 MET 3 2HB MET 3 3.829 3.942 -4.693
25 HG2 MET 3 1HG MET 3 4.906 2.315 -3.661
26 HG3 MET 3 2HG MET 3 3.831 1.161 -4.446
27 HE1 MET 3 3HE MET 3 5.908 -1.039 -4.944
28 HE2 MET 3 1HE MET 3 4.365 -0.505 -5.610
29 HE3 MET 3 2HE MET 3 5.733 -0.799 -6.683
30 H ALA 4 HN ALA 4 2.462 0.218 -5.825
31 HA ALA 4 HA ALA 4 3.321 -0.192 -8.511
32 HB1 ALA 4 1HB ALA 4 2.541 -2.611 -7.936
33 HB2 ALA 4 2HB ALA 4 3.950 -1.923 -7.127
34 HB3 ALA 4 3HB ALA 4 2.393 -1.969 -6.300
35 H GLY 5 HN GLY 5 0.195 -0.262 -6.874
36 HA2 GLY 5 1HA GLY 5 -1.255 -1.286 -9.111
37 HA3 GLY 5 2HA GLY 5 -1.946 -0.526 -7.684
38 H ALA 6 HN ALA 6 -0.842 1.983 -7.776
39 HA ALA 6 HA ALA 6 -2.481 3.257 -9.704
40 HB1 ALA 6 1HB ALA 6 -0.555 5.099 -8.761
41 HB2 ALA 6 2HB ALA 6 -2.235 4.915 -8.253
42 HB3 ALA 6 3HB ALA 6 -0.960 4.025 -7.421
43 H ALA 7 HN ALA 7 0.961 2.530 -9.556
44 HA ALA 7 HA ALA 7 1.691 4.079 -11.830
45 HB1 ALA 7 1HB ALA 7 3.263 3.346 -10.039
46 HB2 ALA 7 2HB ALA 7 3.161 1.710 -10.689
47 HB3 ALA 7 3HB ALA 7 3.825 3.011 -11.677
48 H ALA 8 HN ALA 8 0.836 0.682 -11.337
49 HA ALA 8 HA ALA 8 1.401 -0.184 -13.967
50 HB1 ALA 8 1HB ALA 8 1.101 -1.644 -11.942
51 HB2 ALA 8 2HB ALA 8 -0.637 -1.397 -12.115
52 HB3 ALA 8 3HB ALA 8 0.273 -2.193 -13.399
53 H ALA 9 HN ALA 9 -1.617 0.859 -12.407
54 HA ALA 9 HA ALA 9 -3.226 0.523 -14.726
55 HB1 ALA 9 1HB ALA 9 -3.580 1.781 -12.057
56 HB2 ALA 9 2HB ALA 9 -4.712 2.211 -13.339
57 HB3 ALA 9 3HB ALA 9 -4.529 0.526 -12.852
58 H GLY 10 HN GLY 10 -1.425 3.232 -13.366
59 HA2 GLY 10 1HA GLY 10 -2.484 5.186 -15.162
60 HA3 GLY 10 2HA GLY 10 -1.062 5.370 -14.146
61 H ALA 11 HN ALA 11 0.351 3.095 -15.193
62 HA ALA 11 HA ALA 11 1.608 4.342 -17.418
63 HB1 ALA 11 1HB ALA 11 2.756 2.893 -15.735
64 HB2 ALA 11 2HB ALA 11 1.978 1.501 -16.489
65 HB3 ALA 11 3HB ALA 11 3.110 2.487 -17.415
66 H VAL 12 HN VAL 12 -0.523 1.531 -17.074
67 HA VAL 12 HA VAL 12 -0.441 0.731 -19.782
68 HB VAL 12 HB VAL 12 -2.621 -0.432 -19.240
69 HG11 VAL 12 1HG1 VAL 12 -1.545 -2.008 -17.625
70 HG12 VAL 12 2HG1 VAL 12 -0.564 -1.633 -19.044
71 HG13 VAL 12 3HG1 VAL 12 -0.205 -0.869 -17.495
72 HG21 VAL 12 3HG2 VAL 12 -2.199 1.104 -16.726
73 HG22 VAL 12 1HG2 VAL 12 -3.693 0.728 -17.584
74 HG23 VAL 12 2HG2 VAL 12 -2.894 -0.513 -16.619
75 H VAL 13 HN VAL 13 -2.919 2.563 -17.986
76 HA VAL 13 HA VAL 13 -4.552 3.127 -20.198
77 HB VAL 13 HB VAL 13 -4.224 4.772 -17.685
78 HG11 VAL 13 1HG1 VAL 13 -5.607 6.184 -18.715
79 HG12 VAL 13 2HG1 VAL 13 -5.903 5.052 -20.036
80 HG13 VAL 13 3HG1 VAL 13 -6.845 4.939 -18.548
81 HG21 VAL 13 3HG2 VAL 13 -5.381 3.234 -16.557
82 HG22 VAL 13 1HG2 VAL 13 -6.567 3.071 -17.852
83 HG23 VAL 13 2HG2 VAL 13 -5.068 2.142 -17.907
84 H GLY 14 HN GLY 14 -1.832 4.891 -18.784
85 HA2 GLY 14 1HA GLY 14 -2.082 7.231 -20.341
86 HA3 GLY 14 2HA GLY 14 -0.613 6.680 -19.548
87 H GLY 15 HN GLY 15 -0.563 4.134 -20.989
88 HA2 GLY 15 1HA GLY 15 0.927 5.007 -23.259
89 HA3 GLY 15 2HA GLY 15 0.564 3.341 -22.833
90 H LEU 16 HN LEU 16 -2.126 3.196 -22.954
91 HA LEU 16 HA LEU 16 -2.600 3.154 -25.763
92 HB2 LEU 16 1HB LEU 16 -4.869 2.388 -25.117
93 HB3 LEU 16 2HB LEU 16 -3.561 1.443 -24.409
94 HG LEU 16 HG LEU 16 -4.175 3.398 -22.506
95 HD11 LEU 16 1HD1 LEU 16 -6.259 3.826 -23.751
96 HD12 LEU 16 2HD1 LEU 16 -6.549 3.164 -22.143
97 HD13 LEU 16 3HD1 LEU 16 -6.696 2.128 -23.563
98 HD21 LEU 16 3HD2 LEU 16 -5.094 0.529 -22.599
99 HD22 LEU 16 1HD2 LEU 16 -4.836 1.520 -21.163
100 HD23 LEU 16 2HD2 LEU 16 -3.464 1.044 -22.165
101 H GLY 17 HN GLY 17 -3.754 5.170 -23.092
102 HA2 GLY 17 1HA GLY 17 -5.604 6.671 -24.642
103 HA3 GLY 17 2HA GLY 17 -4.956 7.130 -23.074
104 H GLY 18 HN GLY 18 -2.215 7.199 -23.756
105 HA2 GLY 18 1HA GLY 18 -2.042 9.821 -24.820
106 HA3 GLY 18 2HA GLY 18 -0.687 8.758 -24.472
107 H TYR 19 HN TYR 19 -1.661 6.642 -26.244
108 HA TYR 19 HA TYR 19 -0.406 7.532 -28.639
109 HB2 TYR 19 1HB TYR 19 -0.200 5.218 -27.917
110 HB3 TYR 19 2HB TYR 19 -1.942 4.996 -28.040
111 HD1 TYR 19 HD2 TYR 19 -0.509 7.031 -30.628
112 HD2 TYR 19 HD1 TYR 19 -1.313 3.012 -29.484
113 HE1 TYR 19 HE2 TYR 19 -0.250 6.320 -32.968
114 HE2 TYR 19 HE1 TYR 19 -1.056 2.290 -31.821
115 HH TYR 19 HH TYR 19 -0.428 2.903 -33.880
116 H MET 20 HN MET 20 -3.715 6.320 -28.062
117 HA MET 20 HA MET 20 -4.792 6.923 -30.531
118 HB2 MET 20 1HB MET 20 -6.991 7.140 -29.246
119 HB3 MET 20 2HB MET 20 -6.116 5.623 -29.085
120 HG2 MET 20 1HG MET 20 -5.098 6.708 -26.975
121 HG3 MET 20 2HG MET 20 -6.454 7.826 -27.098
122 HE1 MET 20 3HE MET 20 -5.603 4.282 -27.705
123 HE2 MET 20 1HE MET 20 -6.437 3.366 -26.449
124 HE3 MET 20 2HE MET 20 -7.260 3.736 -27.964
125 H LEU 21 HN LEU 21 -5.117 8.939 -27.601
126 HA LEU 21 HA LEU 21 -6.204 11.164 -28.922
127 HB2 LEU 21 1HB LEU 21 -5.496 10.459 -26.290
128 HB3 LEU 21 2HB LEU 21 -4.667 11.974 -26.643
129 HG LEU 21 HG LEU 21 -6.835 12.993 -27.230
130 HD11 LEU 21 1HD1 LEU 21 -8.559 11.089 -25.981
131 HD12 LEU 21 2HD1 LEU 21 -7.696 10.315 -27.308
132 HD13 LEU 21 3HD1 LEU 21 -8.644 11.772 -27.605
133 HD21 LEU 21 3HD2 LEU 21 -6.178 11.921 -24.558
134 HD22 LEU 21 1HD2 LEU 21 -7.809 12.558 -24.771
135 HD23 LEU 21 2HD2 LEU 21 -6.412 13.587 -25.090
136 H GLY 22 HN GLY 22 -2.939 10.054 -28.576
137 HA2 GLY 22 1HA GLY 22 -1.658 12.545 -29.138
138 HA3 GLY 22 2HA GLY 22 -0.916 10.954 -29.213
139 H SER 23 HN SER 23 -2.202 9.642 -31.136
140 HA SER 23 HA SER 23 -1.258 10.927 -33.511
141 HB2 SER 23 1HB SER 23 -1.044 8.762 -34.060
142 HB3 SER 23 2HB SER 23 -2.077 8.268 -32.718
143 HG SER 23 HG SER 23 -2.809 7.786 -34.954
144 H ALA 24 HN ALA 24 -4.347 10.529 -31.964
145 HA ALA 24 HA ALA 24 -6.008 11.077 -34.181
146 HB1 ALA 24 1HB ALA 24 -7.765 11.431 -32.584
147 HB2 ALA 24 2HB ALA 24 -6.776 10.073 -32.044
148 HB3 ALA 24 3HB ALA 24 -6.596 11.653 -31.282
149 H MET 25 HN MET 25 -4.599 13.171 -31.685
150 HA MET 25 HA MET 25 -5.770 15.550 -32.801
151 HB2 MET 25 1HB MET 25 -4.378 14.821 -30.393
152 HB3 MET 25 2HB MET 25 -3.635 16.252 -31.095
153 HG2 MET 25 1HG MET 25 -5.218 17.217 -29.777
154 HG3 MET 25 2HG MET 25 -6.115 17.066 -31.286
155 HE1 MET 25 3HE MET 25 -6.328 16.635 -27.595
156 HE2 MET 25 1HE MET 25 -7.500 17.571 -28.523
157 HE3 MET 25 2HE MET 25 -8.024 16.152 -27.617
158 H SER 26 HN SER 26 -2.809 13.781 -33.158
159 HA SER 26 HA SER 26 -1.277 15.906 -34.295
160 HB2 SER 26 1HB SER 26 -0.008 14.145 -33.364
161 HB3 SER 26 2HB SER 26 -0.944 12.912 -34.208
162 HG SER 26 HG SER 26 0.051 13.450 -36.100
163 H ARG 27 HN ARG 27 -3.450 13.468 -35.546
164 HA ARG 27 HA ARG 27 -3.450 14.819 -38.125
165 HB2 ARG 27 1HB ARG 27 -3.130 12.787 -39.403
166 HB3 ARG 27 2HB ARG 27 -1.756 13.028 -38.334
167 HG2 ARG 27 1HG ARG 27 -3.779 11.429 -37.053
168 HG3 ARG 27 2HG ARG 27 -3.302 10.733 -38.603
169 HD2 ARG 27 1HD ARG 27 -1.271 11.660 -36.598
170 HD3 ARG 27 2HD ARG 27 -1.980 10.048 -36.515
171 HE ARG 27 HE ARG 27 -1.078 10.352 -39.103
172 HH11 ARG 27 1HH1 ARG 27 0.304 10.396 -35.908
173 HH12 ARG 27 2HH1 ARG 27 1.849 9.807 -36.426
174 HH21 ARG 27 1HH2 ARG 27 0.951 9.576 -39.798
175 HH22 ARG 27 2HH2 ARG 27 2.216 9.342 -38.639
Start of MODEL 12
1 H1 LYS 1 HN LYS 1 1.789 -0.621 0.722
2 HA LYS 1 HA LYS 1 2.949 0.910 -1.207
3 HB2 LYS 1 1HB LYS 1 3.700 -1.180 -2.275
4 HB3 LYS 1 2HB LYS 1 3.861 -1.240 -0.524
5 HG2 LYS 1 1HG LYS 1 2.318 -2.875 -0.298
6 HG3 LYS 1 2HG LYS 1 1.342 -2.294 -1.650
7 HD2 LYS 1 1HD LYS 1 3.402 -3.089 -3.069
8 HD3 LYS 1 2HD LYS 1 3.721 -4.096 -1.655
9 HE2 LYS 1 1HE LYS 1 2.387 -5.519 -2.836
10 HE3 LYS 1 2HE LYS 1 1.150 -4.656 -1.924
11 HZ1 LYS 1 3HZ LYS 1 0.250 -4.010 -3.823
12 HZ2 LYS 1 1HZ LYS 1 1.434 -4.843 -4.698
13 HZ3 LYS 1 2HZ LYS 1 1.679 -3.225 -4.272
14 H HIS 2 HN HIS 2 0.438 1.723 -1.590
15 HA HIS 2 HA HIS 2 -0.893 0.383 -3.736
16 HB2 HIS 2 1HB HIS 2 -1.886 1.993 -1.962
17 HB3 HIS 2 2HB HIS 2 -1.321 3.274 -3.031
18 HD1 HIS 2 HD1 HIS 2 -2.744 0.089 -4.404
19 HD2 HIS 2 HD2 HIS 2 -3.894 4.032 -3.776
20 HE1 HIS 2 HE1 HIS 2 -4.908 0.365 -5.655
21 H MET 3 HN MET 3 1.952 1.958 -3.717
22 HA MET 3 HA MET 3 1.777 3.700 -5.934
23 HB2 MET 3 1HB MET 3 4.293 3.347 -6.031
24 HB3 MET 3 2HB MET 3 3.650 3.969 -4.517
25 HG2 MET 3 1HG MET 3 4.702 2.339 -3.465
26 HG3 MET 3 2HG MET 3 3.624 1.190 -4.254
27 HE1 MET 3 3HE MET 3 4.155 -0.486 -5.400
28 HE2 MET 3 1HE MET 3 5.529 -0.800 -6.461
29 HE3 MET 3 2HE MET 3 5.689 -1.031 -4.720
30 H ALA 4 HN ALA 4 2.261 0.251 -5.638
31 HA ALA 4 HA ALA 4 3.140 -0.184 -8.314
32 HB1 ALA 4 1HB ALA 4 2.334 -2.592 -7.730
33 HB2 ALA 4 2HB ALA 4 3.741 -1.911 -6.912
34 HB3 ALA 4 3HB ALA 4 2.176 -1.939 -6.099
35 H GLY 5 HN GLY 5 -0.002 -0.216 -6.704
36 HA2 GLY 5 1HA GLY 5 -1.441 -1.242 -8.946
37 HA3 GLY 5 2HA GLY 5 -2.137 -0.467 -7.531
38 H ALA 6 HN ALA 6 -1.011 2.032 -7.630
39 HA ALA 6 HA ALA 6 -2.621 3.307 -9.581
40 HB1 ALA 6 1HB ALA 6 -2.376 4.971 -8.137
41 HB2 ALA 6 2HB ALA 6 -1.113 4.077 -7.290
42 HB3 ALA 6 3HB ALA 6 -0.691 5.140 -8.633
43 H ALA 7 HN ALA 7 0.812 2.551 -9.396
44 HA ALA 7 HA ALA 7 1.576 4.078 -11.675
45 HB1 ALA 7 1HB ALA 7 3.126 3.345 -9.864
46 HB2 ALA 7 2HB ALA 7 3.016 1.705 -10.505
47 HB3 ALA 7 3HB ALA 7 3.699 2.994 -11.495
48 H ALA 8 HN ALA 8 0.687 0.693 -11.167
49 HA ALA 8 HA ALA 8 1.269 -0.196 -13.786
50 HB1 ALA 8 1HB ALA 8 0.119 -2.191 -13.216
51 HB2 ALA 8 2HB ALA 8 0.936 -1.640 -11.753
52 HB3 ALA 8 3HB ALA 8 -0.797 -1.380 -11.946
53 H ALA 9 HN ALA 9 -1.754 0.884 -12.260
54 HA ALA 9 HA ALA 9 -3.346 0.546 -14.590
55 HB1 ALA 9 1HB ALA 9 -5.082 1.194 -13.301
56 HB2 ALA 9 2HB ALA 9 -3.930 0.911 -11.995
57 HB3 ALA 9 3HB ALA 9 -4.196 2.548 -12.597
58 H GLY 10 HN GLY 10 -1.533 3.248 -13.232
59 HA2 GLY 10 1HA GLY 10 -2.559 5.199 -15.052
60 HA3 GLY 10 2HA GLY 10 -1.145 5.378 -14.024
61 H ALA 11 HN ALA 11 0.259 3.085 -15.042
62 HA ALA 11 HA ALA 11 1.546 4.305 -17.264
63 HB1 ALA 11 1HB ALA 11 1.859 1.511 -16.173
64 HB2 ALA 11 2HB ALA 11 2.960 2.319 -17.289
65 HB3 ALA 11 3HB ALA 11 2.761 2.933 -15.648
66 H VAL 12 HN VAL 12 -0.612 1.514 -16.921
67 HA VAL 12 HA VAL 12 -0.512 0.694 -19.621
68 HB VAL 12 HB VAL 12 -2.707 -0.447 -19.092
69 HG11 VAL 12 1HG1 VAL 12 -0.662 -1.662 -18.867
70 HG12 VAL 12 2HG1 VAL 12 -0.311 -0.892 -17.318
71 HG13 VAL 12 3HG1 VAL 12 -1.659 -2.021 -17.459
72 HG21 VAL 12 3HG2 VAL 12 -3.004 -0.505 -16.472
73 HG22 VAL 12 1HG2 VAL 12 -2.295 1.106 -16.587
74 HG23 VAL 12 2HG2 VAL 12 -3.786 0.735 -17.453
75 H VAL 13 HN VAL 13 -2.991 2.560 -17.861
76 HA VAL 13 HA VAL 13 -4.599 3.122 -20.092
77 HB VAL 13 HB VAL 13 -4.279 4.781 -17.587
78 HG11 VAL 13 1HG1 VAL 13 -6.870 5.034 -18.403
79 HG12 VAL 13 2HG1 VAL 13 -5.587 6.201 -18.730
80 HG13 VAL 13 3HG1 VAL 13 -6.008 4.989 -19.941
81 HG21 VAL 13 3HG2 VAL 13 -5.461 3.262 -16.460
82 HG22 VAL 13 1HG2 VAL 13 -6.635 3.100 -17.766
83 HG23 VAL 13 2HG2 VAL 13 -5.145 2.158 -17.798
84 H GLY 14 HN GLY 14 -1.876 4.872 -18.667
85 HA2 GLY 14 1HA GLY 14 -2.092 7.204 -20.243
86 HA3 GLY 14 2HA GLY 14 -0.636 6.646 -19.433
87 H GLY 15 HN GLY 15 -0.595 4.089 -20.855
88 HA2 GLY 15 1HA GLY 15 0.923 4.932 -23.118
89 HA3 GLY 15 2HA GLY 15 0.542 3.272 -22.683
90 H LEU 16 HN LEU 16 -2.148 3.150 -22.826
91 HA LEU 16 HA LEU 16 -2.597 3.091 -25.639
92 HB2 LEU 16 1HB LEU 16 -4.879 2.350 -25.008
93 HB3 LEU 16 2HB LEU 16 -3.585 1.398 -24.282
94 HG LEU 16 HG LEU 16 -4.199 3.373 -22.398
95 HD11 LEU 16 1HD1 LEU 16 -6.268 3.808 -23.667
96 HD12 LEU 16 2HD1 LEU 16 -6.577 3.165 -22.055
97 HD13 LEU 16 3HD1 LEU 16 -6.722 2.116 -23.465
98 HD21 LEU 16 3HD2 LEU 16 -5.142 0.511 -22.479
99 HD22 LEU 16 1HD2 LEU 16 -4.889 1.510 -21.048
100 HD23 LEU 16 2HD2 LEU 16 -3.512 1.016 -22.033
101 H GLY 17 HN GLY 17 -3.758 5.137 -22.994
102 HA2 GLY 17 1HA GLY 17 -5.580 6.642 -24.571
103 HA3 GLY 17 2HA GLY 17 -4.943 7.107 -23.001
104 H GLY 18 HN GLY 18 -2.195 7.147 -23.658
105 HA2 GLY 18 1HA GLY 18 -1.990 9.760 -24.740
106 HA3 GLY 18 2HA GLY 18 -0.647 8.688 -24.373
107 H TYR 19 HN TYR 19 -1.624 6.567 -26.138
108 HA TYR 19 HA TYR 19 -0.340 7.429 -28.528
109 HB2 TYR 19 1HB TYR 19 -0.161 5.118 -27.786
110 HB3 TYR 19 2HB TYR 19 -1.903 4.910 -27.923
111 HD1 TYR 19 HD1 TYR 19 -0.428 6.914 -30.513
112 HD2 TYR 19 HD2 TYR 19 -1.281 2.911 -29.349
113 HE1 TYR 19 HE1 TYR 19 -0.154 6.184 -32.845
114 HE2 TYR 19 HE2 TYR 19 -1.008 2.170 -31.678
115 HH TYR 19 HH TYR 19 -0.596 2.780 -33.768
116 H MET 20 HN MET 20 -3.664 6.249 -27.972
117 HA MET 20 HA MET 20 -4.714 6.843 -30.455
118 HB2 MET 20 1HB MET 20 -6.922 7.088 -29.191
119 HB3 MET 20 2HB MET 20 -6.062 5.565 -29.011
120 HG2 MET 20 1HG MET 20 -5.054 6.657 -26.899
121 HG3 MET 20 2HG MET 20 -6.399 7.786 -27.043
122 HE1 MET 20 3HE MET 20 -5.573 4.230 -27.616
123 HE2 MET 20 1HE MET 20 -6.427 3.331 -26.361
124 HE3 MET 20 2HE MET 20 -7.233 3.696 -27.886
125 H LEU 21 HN LEU 21 -5.047 8.883 -27.543
126 HA LEU 21 HA LEU 21 -6.104 11.107 -28.890
127 HB2 LEU 21 1HB LEU 21 -5.427 10.416 -26.246
128 HB3 LEU 21 2HB LEU 21 -4.579 11.919 -26.602
129 HG LEU 21 HG LEU 21 -6.730 12.956 -27.219
130 HD11 LEU 21 1HD1 LEU 21 -7.646 10.198 -26.918
131 HD12 LEU 21 2HD1 LEU 21 -8.347 11.537 -27.826
132 HD13 LEU 21 3HD1 LEU 21 -8.661 11.384 -26.097
133 HD21 LEU 21 3HD2 LEU 21 -7.733 12.742 -24.825
134 HD22 LEU 21 1HD2 LEU 21 -6.144 13.474 -25.049
135 HD23 LEU 21 2HD2 LEU 21 -6.275 11.803 -24.500
136 H GLY 22 HN GLY 22 -2.852 9.972 -28.506
137 HA2 GLY 22 1HA GLY 22 -1.544 12.448 -29.075
138 HA3 GLY 22 2HA GLY 22 -0.815 10.850 -29.132
139 H SER 23 HN SER 23 -2.095 9.535 -31.057
140 HA SER 23 HA SER 23 -1.120 10.794 -33.433
141 HB2 SER 23 1HB SER 23 -0.924 8.625 -33.970
142 HB3 SER 23 2HB SER 23 -1.961 8.149 -32.626
143 HG SER 23 HG SER 23 -2.549 7.953 -35.128
144 H ALA 24 HN ALA 24 -4.226 10.434 -31.910
145 HA ALA 24 HA ALA 24 -5.862 10.981 -34.146
146 HB1 ALA 24 1HB ALA 24 -6.470 11.583 -31.256
147 HB2 ALA 24 2HB ALA 24 -7.630 11.360 -32.566
148 HB3 ALA 24 3HB ALA 24 -6.657 9.999 -32.007
149 H MET 25 HN MET 25 -4.457 13.080 -31.653
150 HA MET 25 HA MET 25 -5.597 15.461 -32.797
151 HB2 MET 25 1HB MET 25 -4.233 14.738 -30.371
152 HB3 MET 25 2HB MET 25 -3.471 16.157 -31.077
153 HG2 MET 25 1HG MET 25 -5.454 17.407 -30.974
154 HG3 MET 25 2HG MET 25 -6.437 15.973 -30.685
155 HE1 MET 25 3HE MET 25 -7.161 17.584 -27.451
156 HE2 MET 25 1HE MET 25 -7.643 17.156 -29.094
157 HE3 MET 25 2HE MET 25 -7.419 15.893 -27.883
158 H SER 26 HN SER 26 -2.648 13.664 -33.115
159 HA SER 26 HA SER 26 -1.089 15.767 -34.253
160 HB2 SER 26 1HB SER 26 -0.789 12.814 -33.934
161 HB3 SER 26 2HB SER 26 0.226 13.628 -35.124
162 HG SER 26 HG SER 26 1.399 13.856 -33.344
163 H ARG 27 HN ARG 27 -3.272 13.338 -35.505
164 HA ARG 27 HA ARG 27 -2.570 13.933 -38.263
165 HB2 ARG 27 1HB ARG 27 -4.227 11.898 -36.873
166 HB3 ARG 27 2HB ARG 27 -4.705 12.329 -38.509
167 HG2 ARG 27 1HG ARG 27 -3.299 10.583 -38.929
168 HG3 ARG 27 2HG ARG 27 -2.164 11.931 -39.019
169 HD2 ARG 27 1HD ARG 27 -1.556 11.532 -36.661
170 HD3 ARG 27 2HD ARG 27 -2.639 10.141 -36.638
171 HE ARG 27 HE ARG 27 -1.040 8.930 -37.735
172 HH11 ARG 27 1HH1 ARG 27 -0.302 12.319 -38.041
173 HH12 ARG 27 2HH1 ARG 27 1.240 12.049 -38.782
174 HH21 ARG 27 1HH2 ARG 27 0.989 8.563 -38.710
175 HH22 ARG 27 2HH2 ARG 27 1.973 9.912 -39.163
Start of MODEL 13
1 H1 LYS 1 HN LYS 1 0.716 -0.684 0.754
2 HA LYS 1 HA LYS 1 2.293 0.285 -1.297
3 HB2 LYS 1 1HB LYS 1 2.293 -2.017 -0.064
4 HB3 LYS 1 2HB LYS 1 1.253 -2.527 -1.388
5 HG2 LYS 1 1HG LYS 1 3.089 -1.622 -2.927
6 HG3 LYS 1 2HG LYS 1 4.108 -1.626 -1.486
7 HD2 LYS 1 1HD LYS 1 3.710 -4.007 -1.186
8 HD3 LYS 1 2HD LYS 1 2.628 -4.018 -2.582
9 HE2 LYS 1 1HE LYS 1 4.369 -3.716 -4.089
10 HE3 LYS 1 2HE LYS 1 5.450 -3.061 -2.861
11 HZ1 LYS 1 3HZ LYS 1 6.319 -5.094 -2.802
12 HZ2 LYS 1 1HZ LYS 1 5.029 -5.782 -3.653
13 HZ3 LYS 1 2HZ LYS 1 4.922 -5.576 -1.978
14 H HIS 2 HN HIS 2 -0.435 1.214 -1.613
15 HA HIS 2 HA HIS 2 -1.607 -0.098 -3.867
16 HB2 HIS 2 1HB HIS 2 -3.096 1.884 -3.944
17 HB3 HIS 2 2HB HIS 2 -3.011 1.164 -2.340
18 HD1 HIS 2 HD1 HIS 2 -2.760 2.822 -0.535
19 HD2 HIS 2 HD2 HIS 2 -1.128 4.182 -4.105
20 HE1 HIS 2 HE1 HIS 2 -1.939 5.150 -0.055
21 H MET 3 HN MET 3 1.173 1.577 -3.651
22 HA MET 3 HA MET 3 1.042 3.387 -5.817
23 HB2 MET 3 1HB MET 3 3.571 3.130 -5.798
24 HB3 MET 3 2HB MET 3 2.831 3.672 -4.297
25 HG2 MET 3 1HG MET 3 3.902 2.047 -3.255
26 HG3 MET 3 2HG MET 3 2.896 0.890 -4.123
27 HE1 MET 3 3HE MET 3 3.534 -0.737 -5.290
28 HE2 MET 3 1HE MET 3 4.967 -0.978 -6.291
29 HE3 MET 3 2HE MET 3 5.052 -1.244 -4.549
30 H ALA 4 HN ALA 4 1.636 -0.051 -5.609
31 HA ALA 4 HA ALA 4 2.664 -0.363 -8.249
32 HB1 ALA 4 1HB ALA 4 1.664 -2.220 -6.138
33 HB2 ALA 4 2HB ALA 4 1.908 -2.818 -7.780
34 HB3 ALA 4 3HB ALA 4 3.258 -2.120 -6.886
35 H GLY 5 HN GLY 5 -0.551 -0.560 -6.804
36 HA2 GLY 5 1HA GLY 5 -1.837 -1.558 -9.150
37 HA3 GLY 5 2HA GLY 5 -2.632 -0.857 -7.748
38 H ALA 6 HN ALA 6 -1.593 1.682 -7.708
39 HA ALA 6 HA ALA 6 -3.149 2.966 -9.696
40 HB1 ALA 6 1HB ALA 6 -1.335 4.831 -8.591
41 HB2 ALA 6 2HB ALA 6 -3.036 4.589 -8.190
42 HB3 ALA 6 3HB ALA 6 -1.788 3.709 -7.307
43 H ALA 7 HN ALA 7 0.296 2.325 -9.360
44 HA ALA 7 HA ALA 7 1.118 3.955 -11.545
45 HB1 ALA 7 1HB ALA 7 2.601 3.212 -9.683
46 HB2 ALA 7 2HB ALA 7 2.580 1.592 -10.381
47 HB3 ALA 7 3HB ALA 7 3.267 2.937 -11.293
48 H ALA 8 HN ALA 8 0.328 0.525 -11.196
49 HA ALA 8 HA ALA 8 1.070 -0.250 -13.811
50 HB1 ALA 8 1HB ALA 8 0.690 -1.775 -11.846
51 HB2 ALA 8 2HB ALA 8 -1.041 -1.569 -12.119
52 HB3 ALA 8 3HB ALA 8 -0.033 -2.303 -13.366
53 H ALA 9 HN ALA 9 -2.064 0.666 -12.405
54 HA ALA 9 HA ALA 9 -3.526 0.355 -14.820
55 HB1 ALA 9 1HB ALA 9 -4.987 2.137 -13.334
56 HB2 ALA 9 2HB ALA 9 -5.085 0.380 -13.219
57 HB3 ALA 9 3HB ALA 9 -4.056 1.281 -12.105
58 H GLY 10 HN GLY 10 -1.871 3.071 -13.298
59 HA2 GLY 10 1HA GLY 10 -2.874 5.041 -15.112
60 HA3 GLY 10 2HA GLY 10 -1.521 5.236 -14.007
61 H ALA 11 HN ALA 11 0.013 3.023 -15.014
62 HA ALA 11 HA ALA 11 1.368 4.351 -17.131
63 HB1 ALA 11 1HB ALA 11 2.493 2.929 -15.447
64 HB2 ALA 11 2HB ALA 11 1.738 1.514 -16.182
65 HB3 ALA 11 3HB ALA 11 2.886 2.481 -17.107
66 H VAL 12 HN VAL 12 -0.699 1.475 -16.981
67 HA VAL 12 HA VAL 12 -0.437 0.749 -19.697
68 HB VAL 12 HB VAL 12 -2.617 -0.483 -19.310
69 HG11 VAL 12 1HG1 VAL 12 -0.540 -1.635 -19.046
70 HG12 VAL 12 2HG1 VAL 12 -0.282 -0.916 -17.455
71 HG13 VAL 12 3HG1 VAL 12 -1.582 -2.084 -17.696
72 HG21 VAL 12 3HG2 VAL 12 -2.405 1.048 -16.785
73 HG22 VAL 12 1HG2 VAL 12 -3.832 0.510 -17.672
74 HG23 VAL 12 2HG2 VAL 12 -2.941 -0.627 -16.661
75 H VAL 13 HN VAL 13 -3.069 2.462 -18.006
76 HA VAL 13 HA VAL 13 -4.588 3.037 -20.294
77 HB VAL 13 HB VAL 13 -4.448 4.617 -17.722
78 HG11 VAL 13 1HG1 VAL 13 -5.764 6.042 -18.833
79 HG12 VAL 13 2HG1 VAL 13 -6.022 4.906 -20.160
80 HG13 VAL 13 3HG1 VAL 13 -7.008 4.799 -18.701
81 HG21 VAL 13 3HG2 VAL 13 -6.483 2.524 -18.431
82 HG22 VAL 13 1HG2 VAL 13 -4.986 2.125 -17.590
83 HG23 VAL 13 2HG2 VAL 13 -6.139 3.239 -16.856
84 H GLY 14 HN GLY 14 -2.004 4.839 -18.688
85 HA2 GLY 14 1HA GLY 14 -2.233 7.209 -20.204
86 HA3 GLY 14 2HA GLY 14 -0.797 6.680 -19.340
87 H GLY 15 HN GLY 15 -0.589 4.172 -20.832
88 HA2 GLY 15 1HA GLY 15 1.000 5.139 -22.993
89 HA3 GLY 15 2HA GLY 15 0.663 3.454 -22.626
90 H LEU 16 HN LEU 16 -2.011 3.238 -22.903
91 HA LEU 16 HA LEU 16 -2.323 3.249 -25.735
92 HB2 LEU 16 1HB LEU 16 -4.602 2.405 -25.237
93 HB3 LEU 16 2HB LEU 16 -3.309 1.480 -24.478
94 HG LEU 16 HG LEU 16 -4.087 3.372 -22.569
95 HD11 LEU 16 1HD1 LEU 16 -6.110 3.767 -23.922
96 HD12 LEU 16 2HD1 LEU 16 -6.469 3.060 -22.347
97 HD13 LEU 16 3HD1 LEU 16 -6.505 2.053 -23.794
98 HD21 LEU 16 3HD2 LEU 16 -4.912 0.480 -22.777
99 HD22 LEU 16 1HD2 LEU 16 -4.765 1.444 -21.307
100 HD23 LEU 16 2HD2 LEU 16 -3.325 1.032 -22.239
101 H GLY 17 HN GLY 17 -3.686 5.168 -23.091
102 HA2 GLY 17 1HA GLY 17 -5.488 6.652 -24.710
103 HA3 GLY 17 2HA GLY 17 -4.943 7.093 -23.098
104 H GLY 18 HN GLY 18 -2.171 7.254 -23.621
105 HA2 GLY 18 1HA GLY 18 -2.016 9.904 -24.617
106 HA3 GLY 18 2HA GLY 18 -0.651 8.872 -24.216
107 H TYR 19 HN TYR 19 -1.462 6.772 -26.086
108 HA TYR 19 HA TYR 19 -0.101 7.753 -28.386
109 HB2 TYR 19 1HB TYR 19 0.131 5.429 -27.704
110 HB3 TYR 19 2HB TYR 19 -1.594 5.161 -27.931
111 HD1 TYR 19 HD1 TYR 19 -0.077 7.297 -30.387
112 HD2 TYR 19 HD2 TYR 19 -0.829 3.231 -29.382
113 HE1 TYR 19 HE1 TYR 19 0.335 6.649 -32.724
114 HE2 TYR 19 HE2 TYR 19 -0.418 2.572 -31.715
115 HH TYR 19 HH TYR 19 0.950 3.592 -33.703
116 H MET 20 HN MET 20 -3.400 6.434 -28.025
117 HA MET 20 HA MET 20 -4.355 7.066 -30.537
118 HB2 MET 20 1HB MET 20 -6.628 7.190 -29.374
119 HB3 MET 20 2HB MET 20 -5.719 5.695 -29.198
120 HG2 MET 20 1HG MET 20 -4.853 6.758 -27.009
121 HG3 MET 20 2HG MET 20 -6.233 7.839 -27.184
122 HE1 MET 20 3HE MET 20 -5.244 4.336 -27.820
123 HE2 MET 20 1HE MET 20 -6.119 3.368 -26.633
124 HE3 MET 20 2HE MET 20 -6.868 3.749 -28.184
125 H LEU 21 HN LEU 21 -4.902 9.002 -27.586
126 HA LEU 21 HA LEU 21 -5.979 11.226 -28.917
127 HB2 LEU 21 1HB LEU 21 -5.402 10.479 -26.266
128 HB3 LEU 21 2HB LEU 21 -4.595 12.022 -26.537
129 HG LEU 21 HG LEU 21 -7.017 12.623 -27.515
130 HD11 LEU 21 1HD1 LEU 21 -7.673 10.206 -26.799
131 HD12 LEU 21 2HD1 LEU 21 -8.778 11.546 -26.498
132 HD13 LEU 21 3HD1 LEU 21 -7.779 10.916 -25.188
133 HD21 LEU 21 3HD2 LEU 21 -6.016 14.003 -25.903
134 HD22 LEU 21 1HD2 LEU 21 -5.992 12.720 -24.693
135 HD23 LEU 21 2HD2 LEU 21 -7.522 13.463 -25.161
136 H GLY 22 HN GLY 22 -2.708 10.200 -28.412
137 HA2 GLY 22 1HA GLY 22 -1.471 12.739 -28.844
138 HA3 GLY 22 2HA GLY 22 -0.679 11.172 -28.912
139 H SER 23 HN SER 23 -1.816 9.870 -30.934
140 HA SER 23 HA SER 23 -0.779 11.236 -33.223
141 HB2 SER 23 1HB SER 23 -0.473 9.093 -33.809
142 HB3 SER 23 2HB SER 23 -1.560 8.538 -32.536
143 HG SER 23 HG SER 23 -2.737 7.983 -34.204
144 H ALA 24 HN ALA 24 -3.937 10.715 -31.862
145 HA ALA 24 HA ALA 24 -5.486 11.270 -34.157
146 HB1 ALA 24 1HB ALA 24 -6.252 11.760 -31.283
147 HB2 ALA 24 2HB ALA 24 -7.340 11.535 -32.654
148 HB3 ALA 24 3HB ALA 24 -6.343 10.194 -32.090
149 H MET 25 HN MET 25 -4.281 13.342 -31.540
150 HA MET 25 HA MET 25 -5.457 15.713 -32.667
151 HB2 MET 25 1HB MET 25 -4.181 14.967 -30.201
152 HB3 MET 25 2HB MET 25 -3.442 16.434 -30.828
153 HG2 MET 25 1HG MET 25 -5.112 17.396 -29.664
154 HG3 MET 25 2HG MET 25 -5.999 17.094 -31.156
155 HE1 MET 25 3HE MET 25 -8.854 15.219 -30.294
156 HE2 MET 25 1HE MET 25 -7.796 15.975 -31.485
157 HE3 MET 25 2HE MET 25 -7.622 14.259 -31.115
158 H SER 26 HN SER 26 -2.430 14.037 -32.896
159 HA SER 26 HA SER 26 -0.901 16.230 -33.897
160 HB2 SER 26 1HB SER 26 0.200 14.317 -32.848
161 HB3 SER 26 2HB SER 26 -0.425 13.246 -34.101
162 HG SER 26 HG SER 26 0.872 14.248 -35.593
163 H ARG 27 HN ARG 27 -2.927 13.762 -35.322
164 HA ARG 27 HA ARG 27 -2.130 14.497 -38.024
165 HB2 ARG 27 1HB ARG 27 -3.538 12.253 -36.766
166 HB3 ARG 27 2HB ARG 27 -4.250 12.769 -38.289
167 HG2 ARG 27 1HG ARG 27 -2.742 11.489 -39.290
168 HG3 ARG 27 2HG ARG 27 -1.539 12.692 -38.821
169 HD2 ARG 27 1HD ARG 27 -0.577 10.850 -37.896
170 HD3 ARG 27 2HD ARG 27 -1.613 11.324 -36.550
171 HE ARG 27 HE ARG 27 -2.836 9.418 -36.871
172 HH11 ARG 27 1HH1 ARG 27 -0.891 10.009 -39.696
173 HH12 ARG 27 2HH1 ARG 27 -1.279 8.493 -40.441
174 HH21 ARG 27 1HH2 ARG 27 -3.355 7.420 -37.840
175 HH22 ARG 27 2HH2 ARG 27 -2.682 7.022 -39.385
Start of MODEL 14
1 H1 LYS 1 HN LYS 1 2.676 1.039 0.222
2 HA LYS 1 HA LYS 1 3.436 -0.687 -1.693
3 HB2 LYS 1 1HB LYS 1 1.651 -2.249 -0.871
4 HB3 LYS 1 2HB LYS 1 2.633 -1.526 0.396
5 HG2 LYS 1 1HG LYS 1 0.912 -0.183 1.149
6 HG3 LYS 1 2HG LYS 1 0.038 -0.269 -0.382
7 HD2 LYS 1 1HD LYS 1 -0.192 -2.786 0.157
8 HD3 LYS 1 2HD LYS 1 0.227 -2.312 1.805
9 HE2 LYS 1 1HE LYS 1 -1.936 -0.858 0.343
10 HE3 LYS 1 2HE LYS 1 -2.274 -2.430 1.066
11 HZ1 LYS 1 3HZ LYS 1 -2.558 -0.178 2.393
12 HZ2 LYS 1 1HZ LYS 1 -0.925 -0.457 2.739
13 HZ3 LYS 1 2HZ LYS 1 -2.087 -1.614 3.154
14 H HIS 2 HN HIS 2 0.562 1.287 -1.770
15 HA HIS 2 HA HIS 2 -0.682 -0.074 -3.955
16 HB2 HIS 2 1HB HIS 2 -1.823 1.424 -2.229
17 HB3 HIS 2 2HB HIS 2 -1.183 2.787 -3.144
18 HD1 HIS 2 HD1 HIS 2 -2.425 3.466 -5.227
19 HD2 HIS 2 HD2 HIS 2 -3.752 -0.150 -3.669
20 HE1 HIS 2 HE1 HIS 2 -4.502 2.896 -6.525
21 H MET 3 HN MET 3 2.114 1.584 -3.862
22 HA MET 3 HA MET 3 1.934 3.340 -6.068
23 HB2 MET 3 1HB MET 3 4.460 3.064 -6.114
24 HB3 MET 3 2HB MET 3 3.767 3.650 -4.608
25 HG2 MET 3 1HG MET 3 4.854 2.044 -3.553
26 HG3 MET 3 2HG MET 3 3.819 0.872 -4.365
27 HE1 MET 3 3HE MET 3 4.415 -0.786 -5.510
28 HE2 MET 3 1HE MET 3 5.817 -1.059 -6.544
29 HE3 MET 3 2HE MET 3 5.950 -1.287 -4.800
30 H ALA 4 HN ALA 4 2.511 -0.096 -5.789
31 HA ALA 4 HA ALA 4 3.461 -0.482 -8.449
32 HB1 ALA 4 1HB ALA 4 2.705 -2.918 -7.899
33 HB2 ALA 4 2HB ALA 4 4.082 -2.207 -7.056
34 HB3 ALA 4 3HB ALA 4 2.507 -2.281 -6.266
35 H GLY 5 HN GLY 5 0.288 -0.620 -6.909
36 HA2 GLY 5 1HA GLY 5 -1.072 -1.667 -9.191
37 HA3 GLY 5 2HA GLY 5 -1.821 -0.925 -7.785
38 H ALA 6 HN ALA 6 -0.766 1.607 -7.839
39 HA ALA 6 HA ALA 6 -2.370 2.851 -9.814
40 HB1 ALA 6 1HB ALA 6 -0.937 3.643 -7.484
41 HB2 ALA 6 2HB ALA 6 -0.513 4.730 -8.807
42 HB3 ALA 6 3HB ALA 6 -2.203 4.511 -8.354
43 H ALA 7 HN ALA 7 1.079 2.194 -9.560
44 HA ALA 7 HA ALA 7 1.849 3.763 -11.808
45 HB1 ALA 7 1HB ALA 7 3.380 3.056 -9.971
46 HB2 ALA 7 2HB ALA 7 3.329 1.419 -10.627
47 HB3 ALA 7 3HB ALA 7 3.997 2.735 -11.592
48 H ALA 8 HN ALA 8 1.046 0.348 -11.350
49 HA ALA 8 HA ALA 8 1.709 -0.498 -13.964
50 HB1 ALA 8 1HB ALA 8 1.375 -1.970 -11.951
51 HB2 ALA 8 2HB ALA 8 -0.361 -1.758 -12.179
52 HB3 ALA 8 3HB ALA 8 0.605 -2.531 -13.436
53 H ALA 9 HN ALA 9 -1.377 0.476 -12.494
54 HA ALA 9 HA ALA 9 -2.910 0.115 -14.857
55 HB1 ALA 9 1HB ALA 9 -3.923 0.108 -12.635
56 HB2 ALA 9 2HB ALA 9 -3.506 1.811 -12.435
57 HB3 ALA 9 3HB ALA 9 -4.666 1.326 -13.672
58 H GLY 10 HN GLY 10 -1.195 2.856 -13.452
59 HA2 GLY 10 1HA GLY 10 -2.236 4.787 -15.286
60 HA3 GLY 10 2HA GLY 10 -0.851 5.000 -14.225
61 H ALA 11 HN ALA 11 0.640 2.753 -15.219
62 HA ALA 11 HA ALA 11 1.942 4.017 -17.407
63 HB1 ALA 11 1HB ALA 11 3.227 2.721 -15.843
64 HB2 ALA 11 2HB ALA 11 2.295 1.270 -16.216
65 HB3 ALA 11 3HB ALA 11 3.354 1.977 -17.437
66 H VAL 12 HN VAL 12 -0.138 1.160 -17.125
67 HA VAL 12 HA VAL 12 0.042 0.364 -19.828
68 HB VAL 12 HB VAL 12 -2.134 -0.843 -19.348
69 HG11 VAL 12 1HG1 VAL 12 -0.057 -2.002 -19.113
70 HG12 VAL 12 2HG1 VAL 12 0.250 -1.245 -17.549
71 HG13 VAL 12 3HG1 VAL 12 -1.064 -2.409 -17.724
72 HG21 VAL 12 3HG2 VAL 12 -2.383 -0.916 -16.688
73 HG22 VAL 12 1HG2 VAL 12 -1.841 0.752 -16.872
74 HG23 VAL 12 2HG2 VAL 12 -3.297 0.201 -17.701
75 H VAL 13 HN VAL 13 -2.530 2.138 -18.107
76 HA VAL 13 HA VAL 13 -4.110 2.665 -20.365
77 HB VAL 13 HB VAL 13 -3.886 4.309 -17.840
78 HG11 VAL 13 1HG1 VAL 13 -5.083 5.690 -19.224
79 HG12 VAL 13 2HG1 VAL 13 -5.753 4.352 -20.160
80 HG13 VAL 13 3HG1 VAL 13 -6.384 4.708 -18.552
81 HG21 VAL 13 3HG2 VAL 13 -5.561 2.966 -16.891
82 HG22 VAL 13 1HG2 VAL 13 -5.954 2.215 -18.438
83 HG23 VAL 13 2HG2 VAL 13 -4.437 1.824 -17.628
84 H GLY 14 HN GLY 14 -1.469 4.490 -18.881
85 HA2 GLY 14 1HA GLY 14 -1.726 6.821 -20.450
86 HA3 GLY 14 2HA GLY 14 -0.269 6.304 -19.614
87 H GLY 15 HN GLY 15 -0.121 3.757 -21.046
88 HA2 GLY 15 1HA GLY 15 1.413 4.657 -23.276
89 HA3 GLY 15 2HA GLY 15 1.075 2.984 -22.856
90 H LEU 16 HN LEU 16 -1.608 2.781 -23.051
91 HA LEU 16 HA LEU 16 -2.001 2.722 -25.872
92 HB2 LEU 16 1HB LEU 16 -4.271 1.909 -25.288
93 HB3 LEU 16 2HB LEU 16 -2.963 0.993 -24.542
94 HG LEU 16 HG LEU 16 -3.672 2.940 -22.661
95 HD11 LEU 16 1HD1 LEU 16 -6.050 2.652 -22.364
96 HD12 LEU 16 2HD1 LEU 16 -6.133 1.610 -23.784
97 HD13 LEU 16 3HD1 LEU 16 -5.730 3.317 -23.966
98 HD21 LEU 16 3HD2 LEU 16 -2.919 0.604 -22.291
99 HD22 LEU 16 1HD2 LEU 16 -4.522 0.050 -22.772
100 HD23 LEU 16 2HD2 LEU 16 -4.331 1.049 -21.332
101 H GLY 17 HN GLY 17 -3.274 4.719 -23.241
102 HA2 GLY 17 1HA GLY 17 -5.111 6.175 -24.847
103 HA3 GLY 17 2HA GLY 17 -4.518 6.653 -23.263
104 H GLY 18 HN GLY 18 -1.761 6.779 -23.868
105 HA2 GLY 18 1HA GLY 18 -1.615 9.401 -24.936
106 HA3 GLY 18 2HA GLY 18 -0.247 8.369 -24.547
107 H TYR 19 HN TYR 19 -1.125 6.228 -26.339
108 HA TYR 19 HA TYR 19 0.176 7.139 -28.701
109 HB2 TYR 19 1HB TYR 19 0.411 4.831 -27.965
110 HB3 TYR 19 2HB TYR 19 -1.321 4.571 -28.137
111 HD1 TYR 19 HD1 TYR 19 0.140 6.631 -30.689
112 HD2 TYR 19 HD2 TYR 19 -0.611 2.599 -29.558
113 HE1 TYR 19 HE1 TYR 19 0.481 5.920 -33.019
114 HE2 TYR 19 HE2 TYR 19 -0.271 1.876 -31.884
115 HH TYR 19 HH TYR 19 1.253 3.462 -34.099
116 H MET 20 HN MET 20 -3.121 5.855 -28.212
117 HA MET 20 HA MET 20 -4.142 6.429 -30.712
118 HB2 MET 20 1HB MET 20 -6.380 6.602 -29.489
119 HB3 MET 20 2HB MET 20 -5.477 5.104 -29.299
120 HG2 MET 20 1HG MET 20 -4.541 6.217 -27.164
121 HG3 MET 20 2HG MET 20 -5.918 7.304 -27.329
122 HE1 MET 20 3HE MET 20 -4.972 3.778 -27.901
123 HE2 MET 20 1HE MET 20 -5.821 2.847 -26.666
124 HE3 MET 20 2HE MET 20 -6.610 3.195 -28.204
125 H LEU 21 HN LEU 21 -4.591 8.445 -27.799
126 HA LEU 21 HA LEU 21 -5.690 10.642 -29.157
127 HB2 LEU 21 1HB LEU 21 -5.041 9.960 -26.503
128 HB3 LEU 21 2HB LEU 21 -4.234 11.491 -26.838
129 HG LEU 21 HG LEU 21 -6.385 11.891 -25.815
130 HD11 LEU 21 1HD1 LEU 21 -6.843 12.592 -28.679
131 HD12 LEU 21 2HD1 LEU 21 -5.457 13.268 -27.824
132 HD13 LEU 21 3HD1 LEU 21 -7.090 13.564 -27.228
133 HD21 LEU 21 3HD2 LEU 21 -7.561 10.386 -28.150
134 HD22 LEU 21 1HD2 LEU 21 -8.464 11.216 -26.883
135 HD23 LEU 21 2HD2 LEU 21 -7.482 9.806 -26.486
136 H GLY 22 HN GLY 22 -2.412 9.604 -28.717
137 HA2 GLY 22 1HA GLY 22 -1.171 12.121 -29.250
138 HA3 GLY 22 2HA GLY 22 -0.392 10.547 -29.300
139 H SER 23 HN SER 23 -1.595 9.202 -31.254
140 HA SER 23 HA SER 23 -0.614 10.501 -33.606
141 HB2 SER 23 1HB SER 23 -1.321 7.832 -32.821
142 HB3 SER 23 2HB SER 23 -2.129 8.221 -34.339
143 HG SER 23 HG SER 23 -0.194 8.561 -35.295
144 H ALA 24 HN ALA 24 -3.735 10.040 -32.143
145 HA ALA 24 HA ALA 24 -5.346 10.547 -34.408
146 HB1 ALA 24 1HB ALA 24 -6.025 11.117 -31.527
147 HB2 ALA 24 2HB ALA 24 -7.153 10.865 -32.860
148 HB3 ALA 24 3HB ALA 24 -6.151 9.531 -32.289
149 H MET 25 HN MET 25 -4.052 12.676 -31.881
150 HA MET 25 HA MET 25 -5.243 15.027 -33.036
151 HB2 MET 25 1HB MET 25 -3.903 14.335 -30.588
152 HB3 MET 25 2HB MET 25 -3.171 15.778 -31.274
153 HG2 MET 25 1HG MET 25 -5.054 17.033 -31.013
154 HG3 MET 25 2HG MET 25 -6.131 15.644 -31.140
155 HE1 MET 25 3HE MET 25 -3.790 17.017 -27.458
156 HE2 MET 25 1HE MET 25 -3.001 15.783 -28.440
157 HE3 MET 25 2HE MET 25 -3.421 17.341 -29.152
158 H SER 26 HN SER 26 -2.235 13.322 -33.306
159 HA SER 26 HA SER 26 -0.719 15.476 -34.406
160 HB2 SER 26 1HB SER 26 0.543 13.728 -33.421
161 HB3 SER 26 2HB SER 26 -0.320 12.487 -34.329
162 HG SER 26 HG SER 26 0.717 13.150 -36.187
163 H ARG 27 HN ARG 27 -2.803 12.988 -35.709
164 HA ARG 27 HA ARG 27 -3.640 12.612 -37.790
165 HB2 ARG 27 1HB ARG 27 -2.729 15.413 -38.452
166 HB3 ARG 27 2HB ARG 27 -4.023 14.499 -39.215
167 HG2 ARG 27 1HG ARG 27 -4.047 15.390 -36.341
168 HG3 ARG 27 2HG ARG 27 -4.804 16.272 -37.668
169 HD2 ARG 27 1HD ARG 27 -6.244 14.371 -38.138
170 HD3 ARG 27 2HD ARG 27 -5.455 13.439 -36.866
171 HE ARG 27 HE ARG 27 -6.354 15.613 -35.547
172 HH11 ARG 27 1HH1 ARG 27 -7.877 13.353 -37.713
173 HH12 ARG 27 2HH1 ARG 27 -9.440 13.504 -36.980
174 HH21 ARG 27 1HH2 ARG 27 -8.407 15.821 -34.574
175 HH22 ARG 27 2HH2 ARG 27 -9.740 14.908 -35.195
Start of MODEL 15
1 H1 LYS 1 HN LYS 1 2.971 1.180 0.070
2 HA LYS 1 HA LYS 1 3.411 -0.812 -1.670
3 HB2 LYS 1 1HB LYS 1 1.546 -2.059 -0.648
4 HB3 LYS 1 2HB LYS 1 2.516 -1.217 0.553
5 HG2 LYS 1 1HG LYS 1 0.501 -0.604 1.337
6 HG3 LYS 1 2HG LYS 1 0.639 0.648 0.100
7 HD2 LYS 1 1HD LYS 1 -1.410 -0.151 -0.468
8 HD3 LYS 1 2HD LYS 1 -0.429 -1.292 -1.391
9 HE2 LYS 1 1HE LYS 1 -1.797 -2.760 -0.305
10 HE3 LYS 1 2HE LYS 1 -0.499 -2.638 0.883
11 HZ1 LYS 1 3HZ LYS 1 -2.304 -0.585 1.407
12 HZ2 LYS 1 1HZ LYS 1 -1.989 -1.955 2.348
13 HZ3 LYS 1 2HZ LYS 1 -3.218 -1.991 1.187
14 H HIS 2 HN HIS 2 0.645 1.373 -1.773
15 HA HIS 2 HA HIS 2 -0.652 0.026 -3.936
16 HB2 HIS 2 1HB HIS 2 -1.731 1.576 -2.209
17 HB3 HIS 2 2HB HIS 2 -1.075 2.907 -3.157
18 HD1 HIS 2 HD1 HIS 2 -2.824 3.859 -4.602
19 HD2 HIS 2 HD2 HIS 2 -3.221 -0.260 -4.228
20 HE1 HIS 2 HE1 HIS 2 -4.807 3.243 -6.021
21 H MET 3 HN MET 3 2.186 1.614 -3.879
22 HA MET 3 HA MET 3 2.034 3.352 -6.101
23 HB2 MET 3 1HB MET 3 4.553 3.012 -6.162
24 HB3 MET 3 2HB MET 3 3.885 3.633 -4.658
25 HG2 MET 3 1HG MET 3 4.932 2.010 -3.589
26 HG3 MET 3 2HG MET 3 3.869 0.855 -4.389
27 HE1 MET 3 3HE MET 3 4.422 -0.824 -5.527
28 HE2 MET 3 1HE MET 3 5.818 -1.138 -6.559
29 HE3 MET 3 2HE MET 3 5.945 -1.356 -4.813
30 H ALA 4 HN ALA 4 2.529 -0.094 -5.792
31 HA ALA 4 HA ALA 4 3.448 -0.529 -8.455
32 HB1 ALA 4 1HB ALA 4 4.037 -2.250 -7.040
33 HB2 ALA 4 2HB ALA 4 2.458 -2.286 -6.252
34 HB3 ALA 4 3HB ALA 4 2.647 -2.940 -7.879
35 H GLY 5 HN GLY 5 0.284 -0.573 -6.890
36 HA2 GLY 5 1HA GLY 5 -1.118 -1.608 -9.152
37 HA3 GLY 5 2HA GLY 5 -1.838 -0.835 -7.748
38 H ALA 6 HN ALA 6 -0.722 1.670 -7.834
39 HA ALA 6 HA ALA 6 -2.309 2.935 -9.809
40 HB1 ALA 6 1HB ALA 6 -2.091 4.603 -8.366
41 HB2 ALA 6 2HB ALA 6 -0.838 3.715 -7.498
42 HB3 ALA 6 3HB ALA 6 -0.400 4.777 -8.835
43 H ALA 7 HN ALA 7 1.124 2.195 -9.575
44 HA ALA 7 HA ALA 7 1.914 3.723 -11.844
45 HB1 ALA 7 1HB ALA 7 3.441 2.998 -10.010
46 HB2 ALA 7 2HB ALA 7 3.348 1.357 -10.650
47 HB3 ALA 7 3HB ALA 7 4.040 2.648 -11.632
48 H ALA 8 HN ALA 8 1.034 0.334 -11.344
49 HA ALA 8 HA ALA 8 1.657 -0.556 -13.954
50 HB1 ALA 8 1HB ALA 8 0.505 -2.555 -13.398
51 HB2 ALA 8 2HB ALA 8 1.302 -2.000 -11.925
52 HB3 ALA 8 3HB ALA 8 -0.430 -1.746 -12.140
53 H ALA 9 HN ALA 9 -1.393 0.512 -12.473
54 HA ALA 9 HA ALA 9 -2.949 0.165 -14.825
55 HB1 ALA 9 1HB ALA 9 -4.673 0.659 -13.497
56 HB2 ALA 9 2HB ALA 9 -3.498 0.665 -12.181
57 HB3 ALA 9 3HB ALA 9 -3.945 2.177 -12.970
58 H GLY 10 HN GLY 10 -1.168 2.877 -13.445
59 HA2 GLY 10 1HA GLY 10 -2.176 4.821 -15.281
60 HA3 GLY 10 2HA GLY 10 -0.778 5.007 -14.233
61 H ALA 11 HN ALA 11 0.650 2.718 -15.229
62 HA ALA 11 HA ALA 11 1.964 3.942 -17.433
63 HB1 ALA 11 1HB ALA 11 3.171 2.584 -15.807
64 HB2 ALA 11 2HB ALA 11 2.272 1.156 -16.321
65 HB3 ALA 11 3HB ALA 11 3.380 1.951 -17.440
66 H VAL 12 HN VAL 12 -0.186 1.142 -17.118
67 HA VAL 12 HA VAL 12 -0.045 0.321 -19.816
68 HB VAL 12 HB VAL 12 -2.242 -0.830 -19.317
69 HG11 VAL 12 1HG1 VAL 12 -0.196 -2.037 -19.063
70 HG12 VAL 12 2HG1 VAL 12 0.131 -1.263 -17.511
71 HG13 VAL 12 3HG1 VAL 12 -1.210 -2.398 -17.666
72 HG21 VAL 12 3HG2 VAL 12 -3.348 0.349 -17.694
73 HG22 VAL 12 1HG2 VAL 12 -2.575 -0.888 -16.703
74 HG23 VAL 12 2HG2 VAL 12 -1.872 0.726 -16.806
75 H VAL 13 HN VAL 13 -2.556 2.177 -18.093
76 HA VAL 13 HA VAL 13 -4.135 2.730 -20.347
77 HB VAL 13 HB VAL 13 -3.858 4.393 -17.840
78 HG11 VAL 13 1HG1 VAL 13 -5.484 4.658 -20.231
79 HG12 VAL 13 2HG1 VAL 13 -6.456 4.572 -18.761
80 HG13 VAL 13 3HG1 VAL 13 -5.204 5.805 -18.921
81 HG21 VAL 13 3HG2 VAL 13 -6.204 2.701 -18.049
82 HG22 VAL 13 1HG2 VAL 13 -4.708 1.768 -18.060
83 HG23 VAL 13 2HG2 VAL 13 -5.050 2.871 -16.727
84 H GLY 14 HN GLY 14 -1.440 4.494 -18.885
85 HA2 GLY 14 1HA GLY 14 -1.644 6.823 -20.466
86 HA3 GLY 14 2HA GLY 14 -0.197 6.272 -19.635
87 H GLY 15 HN GLY 15 -0.125 3.714 -21.054
88 HA2 GLY 15 1HA GLY 15 1.422 4.561 -23.296
89 HA3 GLY 15 2HA GLY 15 1.042 2.900 -22.865
90 H LEU 16 HN LEU 16 -1.646 2.767 -23.047
91 HA LEU 16 HA LEU 16 -2.054 2.703 -25.865
92 HB2 LEU 16 1HB LEU 16 -4.342 1.953 -25.266
93 HB3 LEU 16 2HB LEU 16 -3.055 1.007 -24.520
94 HG LEU 16 HG LEU 16 -3.704 2.982 -22.648
95 HD11 LEU 16 1HD1 LEU 16 -6.205 1.715 -23.752
96 HD12 LEU 16 2HD1 LEU 16 -5.756 3.409 -23.946
97 HD13 LEU 16 3HD1 LEU 16 -6.086 2.763 -22.339
98 HD21 LEU 16 3HD2 LEU 16 -3.013 0.628 -22.269
99 HD22 LEU 16 1HD2 LEU 16 -4.633 0.116 -22.740
100 HD23 LEU 16 2HD2 LEU 16 -4.408 1.117 -21.306
101 H GLY 17 HN GLY 17 -3.261 4.746 -23.239
102 HA2 GLY 17 1HA GLY 17 -5.067 6.242 -24.844
103 HA3 GLY 17 2HA GLY 17 -4.454 6.712 -23.265
104 H GLY 18 HN GLY 18 -1.698 6.763 -23.883
105 HA2 GLY 18 1HA GLY 18 -1.488 9.375 -24.966
106 HA3 GLY 18 2HA GLY 18 -0.146 8.309 -24.578
107 H TYR 19 HN TYR 19 -1.088 6.183 -26.354
108 HA TYR 19 HA TYR 19 0.226 7.047 -28.727
109 HB2 TYR 19 1HB TYR 19 0.404 4.738 -27.980
110 HB3 TYR 19 2HB TYR 19 -1.336 4.522 -28.141
111 HD1 TYR 19 HD1 TYR 19 0.168 6.529 -30.712
112 HD2 TYR 19 HD2 TYR 19 -0.687 2.525 -29.556
113 HE1 TYR 19 HE1 TYR 19 0.478 5.797 -33.040
114 HE2 TYR 19 HE2 TYR 19 -0.378 1.782 -31.880
115 HH TYR 19 HH TYR 19 0.794 3.964 -34.367
116 H MET 20 HN MET 20 -3.101 5.854 -28.217
117 HA MET 20 HA MET 20 -4.118 6.441 -30.715
118 HB2 MET 20 1HB MET 20 -6.345 6.680 -29.483
119 HB3 MET 20 2HB MET 20 -5.482 5.160 -29.289
120 HG2 MET 20 1HG MET 20 -4.507 6.257 -27.164
121 HG3 MET 20 2HG MET 20 -5.855 7.381 -27.328
122 HE1 MET 20 3HE MET 20 -5.874 2.927 -26.640
123 HE2 MET 20 1HE MET 20 -6.661 3.286 -28.178
124 HE3 MET 20 2HE MET 20 -5.008 3.827 -27.886
125 H LEU 21 HN LEU 21 -4.501 8.484 -27.810
126 HA LEU 21 HA LEU 21 -5.547 10.702 -29.175
127 HB2 LEU 21 1HB LEU 21 -4.903 10.017 -26.521
128 HB3 LEU 21 2HB LEU 21 -4.059 11.525 -26.868
129 HG LEU 21 HG LEU 21 -6.454 12.229 -27.761
130 HD11 LEU 21 1HD1 LEU 21 -8.261 11.189 -26.802
131 HD12 LEU 21 2HD1 LEU 21 -7.309 10.504 -25.486
132 HD13 LEU 21 3HD1 LEU 21 -7.202 9.812 -27.105
133 HD21 LEU 21 3HD2 LEU 21 -5.483 12.182 -24.915
134 HD22 LEU 21 1HD2 LEU 21 -6.926 13.060 -25.421
135 HD23 LEU 21 2HD2 LEU 21 -5.352 13.489 -26.093
136 H GLY 22 HN GLY 22 -2.296 9.580 -28.744
137 HA2 GLY 22 1HA GLY 22 -0.991 12.060 -29.297
138 HA3 GLY 22 2HA GLY 22 -0.254 10.465 -29.341
139 H SER 23 HN SER 23 -1.502 9.143 -31.283
140 HA SER 23 HA SER 23 -0.498 10.403 -33.646
141 HB2 SER 23 1HB SER 23 -0.284 8.234 -34.176
142 HB3 SER 23 2HB SER 23 -1.342 7.755 -32.849
143 HG SER 23 HG SER 23 -3.097 7.967 -34.180
144 H ALA 24 HN ALA 24 -3.623 10.032 -32.167
145 HA ALA 24 HA ALA 24 -5.230 10.570 -34.427
146 HB1 ALA 24 1HB ALA 24 -7.022 10.944 -32.874
147 HB2 ALA 24 2HB ALA 24 -6.052 9.587 -32.299
148 HB3 ALA 24 3HB ALA 24 -5.882 11.173 -31.547
149 H MET 25 HN MET 25 -3.868 12.678 -31.917
150 HA MET 25 HA MET 25 -5.003 15.053 -33.079
151 HB2 MET 25 1HB MET 25 -3.670 14.338 -30.634
152 HB3 MET 25 2HB MET 25 -2.903 15.759 -31.331
153 HG2 MET 25 1HG MET 25 -4.569 17.057 -30.680
154 HG3 MET 25 2HG MET 25 -5.756 16.013 -31.458
155 HE1 MET 25 3HE MET 25 -7.220 16.827 -28.158
156 HE2 MET 25 1HE MET 25 -7.220 16.965 -29.916
157 HE3 MET 25 2HE MET 25 -7.890 15.527 -29.145
158 H SER 26 HN SER 26 -2.042 13.267 -33.353
159 HA SER 26 HA SER 26 -0.475 15.375 -34.473
160 HB2 SER 26 1HB SER 26 0.525 13.387 -33.377
161 HB3 SER 26 2HB SER 26 -0.074 12.382 -34.696
162 HG SER 26 HG SER 26 1.204 13.704 -36.115
163 H ARG 27 HN ARG 27 -2.630 12.936 -35.752
164 HA ARG 27 HA ARG 27 -3.505 12.591 -37.823
165 HB2 ARG 27 1HB ARG 27 -2.452 15.332 -38.522
166 HB3 ARG 27 2HB ARG 27 -3.789 14.475 -39.277
167 HG2 ARG 27 1HG ARG 27 -3.776 15.397 -36.413
168 HG3 ARG 27 2HG ARG 27 -4.479 16.307 -37.752
169 HD2 ARG 27 1HD ARG 27 -6.019 14.485 -38.210
170 HD3 ARG 27 2HD ARG 27 -5.284 13.519 -36.931
171 HE ARG 27 HE ARG 27 -6.182 15.969 -35.871
172 HH11 ARG 27 1HH1 ARG 27 -7.391 12.951 -37.117
173 HH12 ARG 27 2HH1 ARG 27 -8.843 12.993 -36.173
174 HH21 ARG 27 1HH2 ARG 27 -8.090 16.035 -34.622
175 HH22 ARG 27 2HH2 ARG 27 -9.240 14.747 -34.754
Start of MODEL 16
1 H1 LYS 1 HN LYS 1 1.798 0.000 0.710
2 HA LYS 1 HA LYS 1 3.156 0.313 -1.514
3 HB2 LYS 1 1HB LYS 1 3.038 -2.054 -1.993
4 HB3 LYS 1 2HB LYS 1 3.043 -1.817 -0.250
5 HG2 LYS 1 1HG LYS 1 1.138 -2.923 -0.045
6 HG3 LYS 1 2HG LYS 1 0.345 -1.864 -1.213
7 HD2 LYS 1 1HD LYS 1 1.547 -3.277 -2.995
8 HD3 LYS 1 2HD LYS 1 1.809 -4.440 -1.694
9 HE2 LYS 1 1HE LYS 1 -0.179 -5.246 -2.405
10 HE3 LYS 1 2HE LYS 1 -0.814 -3.973 -1.364
11 HZ1 LYS 1 3HZ LYS 1 -0.851 -2.518 -3.357
12 HZ2 LYS 1 1HZ LYS 1 -1.904 -3.838 -3.459
13 HZ3 LYS 1 2HZ LYS 1 -0.439 -3.858 -4.305
14 H HIS 2 HN HIS 2 0.497 1.637 -1.743
15 HA HIS 2 HA HIS 2 -0.845 0.463 -3.979
16 HB2 HIS 2 1HB HIS 2 -1.571 2.299 -2.122
17 HB3 HIS 2 2HB HIS 2 -1.201 3.356 -3.481
18 HD1 HIS 2 HD1 HIS 2 -2.918 -0.032 -3.547
19 HD2 HIS 2 HD2 HIS 2 -3.666 3.954 -4.446
20 HE1 HIS 2 HE1 HIS 2 -5.191 -0.001 -4.620
21 H MET 3 HN MET 3 2.108 1.814 -3.805
22 HA MET 3 HA MET 3 2.141 3.620 -5.983
23 HB2 MET 3 1HB MET 3 3.950 3.714 -4.442
24 HB3 MET 3 2HB MET 3 4.299 2.002 -4.637
25 HG2 MET 3 1HG MET 3 4.507 3.164 -7.190
26 HG3 MET 3 2HG MET 3 5.348 4.233 -6.069
27 HE1 MET 3 3HE MET 3 5.160 0.467 -7.419
28 HE2 MET 3 1HE MET 3 6.294 -0.274 -6.289
29 HE3 MET 3 2HE MET 3 4.791 0.431 -5.694
30 H ALA 4 HN ALA 4 2.604 0.137 -5.727
31 HA ALA 4 HA ALA 4 3.447 -0.240 -8.421
32 HB1 ALA 4 1HB ALA 4 2.130 -2.384 -6.803
33 HB2 ALA 4 2HB ALA 4 3.450 -2.513 -7.965
34 HB3 ALA 4 3HB ALA 4 3.739 -1.799 -6.379
35 H GLY 5 HN GLY 5 0.329 -0.342 -6.772
36 HA2 GLY 5 1HA GLY 5 -1.129 -1.364 -9.000
37 HA3 GLY 5 2HA GLY 5 -1.814 -0.599 -7.574
38 H ALA 6 HN ALA 6 -0.722 1.911 -7.674
39 HA ALA 6 HA ALA 6 -2.363 3.174 -9.608
40 HB1 ALA 6 1HB ALA 6 -2.127 4.845 -8.172
41 HB2 ALA 6 2HB ALA 6 -0.869 3.951 -7.317
42 HB3 ALA 6 3HB ALA 6 -0.439 5.019 -8.653
43 H ALA 7 HN ALA 7 1.080 2.459 -9.449
44 HA ALA 7 HA ALA 7 1.814 4.009 -11.720
45 HB1 ALA 7 1HB ALA 7 3.285 1.639 -10.583
46 HB2 ALA 7 2HB ALA 7 3.950 2.949 -11.560
47 HB3 ALA 7 3HB ALA 7 3.381 3.272 -9.922
48 H ALA 8 HN ALA 8 0.961 0.612 -11.234
49 HA ALA 8 HA ALA 8 1.535 -0.250 -13.865
50 HB1 ALA 8 1HB ALA 8 0.407 -2.261 -13.303
51 HB2 ALA 8 2HB ALA 8 1.236 -1.716 -11.845
52 HB3 ALA 8 3HB ALA 8 -0.502 -1.470 -12.015
53 H ALA 9 HN ALA 9 -1.489 0.782 -12.307
54 HA ALA 9 HA ALA 9 -3.093 0.447 -14.629
55 HB1 ALA 9 1HB ALA 9 -4.346 2.352 -13.024
56 HB2 ALA 9 2HB ALA 9 -4.628 0.610 -13.030
57 HB3 ALA 9 3HB ALA 9 -3.466 1.312 -11.905
58 H GLY 10 HN GLY 10 -1.301 3.158 -13.262
59 HA2 GLY 10 1HA GLY 10 -2.362 5.112 -15.058
60 HA3 GLY 10 2HA GLY 10 -0.943 5.298 -14.038
61 H ALA 11 HN ALA 11 0.479 3.029 -15.085
62 HA ALA 11 HA ALA 11 1.738 4.282 -17.306
63 HB1 ALA 11 1HB ALA 11 3.169 2.305 -17.360
64 HB2 ALA 11 2HB ALA 11 2.985 2.914 -15.715
65 HB3 ALA 11 3HB ALA 11 2.089 1.486 -16.232
66 H VAL 12 HN VAL 12 -0.386 1.465 -16.971
67 HA VAL 12 HA VAL 12 -0.297 0.669 -19.679
68 HB VAL 12 HB VAL 12 -2.475 -0.501 -19.144
69 HG11 VAL 12 1HG1 VAL 12 -1.398 -2.075 -17.528
70 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.696 -18.944
71 HG13 VAL 12 3HG1 VAL 12 -0.061 -0.933 -17.394
72 HG21 VAL 12 3HG2 VAL 12 -2.751 -0.584 -16.522
73 HG22 VAL 12 1HG2 VAL 12 -2.063 1.036 -16.630
74 HG23 VAL 12 2HG2 VAL 12 -3.556 0.653 -17.487
75 H VAL 13 HN VAL 13 -2.784 2.492 -17.886
76 HA VAL 13 HA VAL 13 -4.413 3.055 -20.101
77 HB VAL 13 HB VAL 13 -4.095 4.697 -17.584
78 HG11 VAL 13 1HG1 VAL 13 -6.650 5.037 -18.281
79 HG12 VAL 13 2HG1 VAL 13 -5.358 6.099 -18.845
80 HG13 VAL 13 3HG1 VAL 13 -5.956 4.805 -19.885
81 HG21 VAL 13 3HG2 VAL 13 -5.251 3.154 -16.462
82 HG22 VAL 13 1HG2 VAL 13 -6.433 2.990 -17.761
83 HG23 VAL 13 2HG2 VAL 13 -4.932 2.066 -17.812
84 H GLY 14 HN GLY 14 -1.701 4.824 -18.679
85 HA2 GLY 14 1HA GLY 14 -1.953 7.166 -20.232
86 HA3 GLY 14 2HA GLY 14 -0.485 6.618 -19.437
87 H GLY 15 HN GLY 15 -0.425 4.074 -20.882
88 HA2 GLY 15 1HA GLY 15 1.068 4.954 -23.148
89 HA3 GLY 15 2HA GLY 15 0.708 3.287 -22.725
90 H LEU 16 HN LEU 16 -1.981 3.136 -22.851
91 HA LEU 16 HA LEU 16 -2.449 3.096 -25.661
92 HB2 LEU 16 1HB LEU 16 -4.718 2.324 -25.022
93 HB3 LEU 16 2HB LEU 16 -3.409 1.381 -24.312
94 HG LEU 16 HG LEU 16 -4.032 3.332 -22.407
95 HD11 LEU 16 1HD1 LEU 16 -6.406 3.091 -22.051
96 HD12 LEU 16 2HD1 LEU 16 -6.547 2.058 -23.473
97 HD13 LEU 16 3HD1 LEU 16 -6.114 3.758 -23.657
98 HD21 LEU 16 3HD2 LEU 16 -4.693 1.449 -21.069
99 HD22 LEU 16 1HD2 LEU 16 -3.317 0.980 -22.067
100 HD23 LEU 16 2HD2 LEU 16 -4.944 0.460 -22.508
101 H GLY 17 HN GLY 17 -3.615 5.105 -22.990
102 HA2 GLY 17 1HA GLY 17 -5.465 6.604 -24.542
103 HA3 GLY 17 2HA GLY 17 -4.821 7.063 -22.972
104 H GLY 18 HN GLY 18 -2.079 7.139 -23.648
105 HA2 GLY 18 1HA GLY 18 -1.910 9.763 -24.709
106 HA3 GLY 18 2HA GLY 18 -0.553 8.703 -24.360
107 H TYR 19 HN TYR 19 -1.519 6.587 -26.137
108 HA TYR 19 HA TYR 19 -0.261 7.483 -28.528
109 HB2 TYR 19 1HB TYR 19 -0.052 5.168 -27.808
110 HB3 TYR 19 2HB TYR 19 -1.792 4.943 -27.935
111 HD1 TYR 19 HD2 TYR 19 -0.359 6.985 -30.517
112 HD2 TYR 19 HD1 TYR 19 -1.156 2.962 -29.381
113 HE1 TYR 19 HE2 TYR 19 -0.095 6.277 -32.858
114 HE2 TYR 19 HE1 TYR 19 -0.892 2.244 -31.718
115 HH TYR 19 HH TYR 19 0.440 3.249 -33.813
116 H MET 20 HN MET 20 -3.568 6.262 -27.960
117 HA MET 20 HA MET 20 -4.642 6.866 -30.430
118 HB2 MET 20 1HB MET 20 -6.844 7.077 -29.148
119 HB3 MET 20 2HB MET 20 -5.966 5.562 -28.988
120 HG2 MET 20 1HG MET 20 -4.954 6.645 -26.874
121 HG3 MET 20 2HG MET 20 -6.313 7.760 -26.998
122 HE1 MET 20 3HE MET 20 -5.452 4.220 -27.609
123 HE2 MET 20 1HE MET 20 -6.283 3.301 -26.353
124 HE3 MET 20 2HE MET 20 -7.107 3.667 -27.869
125 H LEU 21 HN LEU 21 -4.977 8.878 -27.498
126 HA LEU 21 HA LEU 21 -6.067 11.102 -28.818
127 HB2 LEU 21 1HB LEU 21 -5.361 10.395 -26.185
128 HB3 LEU 21 2HB LEU 21 -4.538 11.914 -26.535
129 HG LEU 21 HG LEU 21 -6.823 12.788 -27.265
130 HD11 LEU 21 1HD1 LEU 21 -7.541 10.126 -26.813
131 HD12 LEU 21 2HD1 LEU 21 -8.613 11.483 -27.157
132 HD13 LEU 21 3HD1 LEU 21 -8.256 11.042 -25.487
133 HD21 LEU 21 3HD2 LEU 21 -5.805 13.558 -25.242
134 HD22 LEU 21 1HD2 LEU 21 -6.241 12.073 -24.396
135 HD23 LEU 21 2HD2 LEU 21 -7.499 13.202 -24.900
136 H GLY 22 HN GLY 22 -2.800 9.999 -28.467
137 HA2 GLY 22 1HA GLY 22 -1.524 12.493 -29.022
138 HA3 GLY 22 2HA GLY 22 -0.778 10.904 -29.098
139 H SER 23 HN SER 23 -2.057 9.592 -31.026
140 HA SER 23 HA SER 23 -1.111 10.883 -33.397
141 HB2 SER 23 1HB SER 23 -0.892 8.720 -33.950
142 HB3 SER 23 2HB SER 23 -1.923 8.221 -32.609
143 HG SER 23 HG SER 23 -3.656 8.263 -33.898
144 H ALA 24 HN ALA 24 -4.202 10.475 -31.856
145 HA ALA 24 HA ALA 24 -5.860 11.023 -34.076
146 HB1 ALA 24 1HB ALA 24 -6.454 11.593 -31.177
147 HB2 ALA 24 2HB ALA 24 -7.621 11.370 -32.481
148 HB3 ALA 24 3HB ALA 24 -6.630 10.013 -31.942
149 H MET 25 HN MET 25 -4.460 13.116 -31.575
150 HA MET 25 HA MET 25 -5.635 15.494 -32.689
151 HB2 MET 25 1HB MET 25 -4.244 14.765 -30.280
152 HB3 MET 25 2HB MET 25 -3.506 16.200 -30.978
153 HG2 MET 25 1HG MET 25 -5.145 17.457 -30.202
154 HG3 MET 25 2HG MET 25 -6.332 16.494 -31.078
155 HE1 MET 25 3HE MET 25 -7.894 17.245 -29.570
156 HE2 MET 25 1HE MET 25 -8.518 15.689 -29.023
157 HE3 MET 25 2HE MET 25 -8.036 16.909 -27.844
158 H SER 26 HN SER 26 -2.669 13.733 -33.043
159 HA SER 26 HA SER 26 -1.140 15.863 -34.173
160 HB2 SER 26 1HB SER 26 -0.807 12.888 -33.976
161 HB3 SER 26 2HB SER 26 0.249 13.818 -35.040
162 HG SER 26 HG SER 26 0.966 13.492 -32.788
163 H ARG 27 HN ARG 27 -3.305 13.422 -35.433
164 HA ARG 27 HA ARG 27 -2.592 13.696 -38.166
165 HB2 ARG 27 1HB ARG 27 -4.614 12.290 -36.606
166 HB3 ARG 27 2HB ARG 27 -5.245 12.885 -38.136
167 HG2 ARG 27 1HG ARG 27 -4.467 10.681 -38.507
168 HG3 ARG 27 2HG ARG 27 -3.304 11.772 -39.263
169 HD2 ARG 27 1HD ARG 27 -2.237 11.544 -36.791
170 HD3 ARG 27 2HD ARG 27 -2.991 9.959 -36.963
171 HE ARG 27 HE ARG 27 -1.609 10.366 -39.300
172 HH11 ARG 27 1HH1 ARG 27 -0.828 10.261 -35.909
173 HH12 ARG 27 2HH1 ARG 27 0.782 9.675 -36.164
174 HH21 ARG 27 1HH2 ARG 27 0.509 9.594 -39.649
175 HH22 ARG 27 2HH2 ARG 27 1.542 9.297 -38.292
Start of MODEL 17
1 H1 LYS 1 HN LYS 1 2.784 1.324 -1.019
2 HA LYS 1 HA LYS 1 3.824 -1.238 -2.041
3 HB2 LYS 1 1HB LYS 1 1.841 -2.293 -0.922
4 HB3 LYS 1 2HB LYS 1 3.033 -1.621 0.183
5 HG2 LYS 1 1HG LYS 1 1.595 0.425 0.341
6 HG3 LYS 1 2HG LYS 1 0.365 -0.457 -0.567
7 HD2 LYS 1 1HD LYS 1 0.926 -2.263 1.354
8 HD3 LYS 1 2HD LYS 1 1.248 -0.766 2.232
9 HE2 LYS 1 1HE LYS 1 -0.965 0.045 1.767
10 HE3 LYS 1 2HE LYS 1 -1.291 -1.323 0.704
11 HZ1 LYS 1 3HZ LYS 1 -1.192 -2.802 2.576
12 HZ2 LYS 1 1HZ LYS 1 -2.292 -1.563 2.920
13 HZ3 LYS 1 2HZ LYS 1 -0.751 -1.542 3.616
14 H HIS 2 HN HIS 2 1.032 0.952 -1.994
15 HA HIS 2 HA HIS 2 -0.295 -0.361 -4.160
16 HB2 HIS 2 1HB HIS 2 -1.336 1.113 -2.322
17 HB3 HIS 2 2HB HIS 2 -0.803 2.479 -3.297
18 HD1 HIS 2 HD1 HIS 2 -2.398 3.241 -5.033
19 HD2 HIS 2 HD2 HIS 2 -3.135 -0.675 -3.857
20 HE1 HIS 2 HE1 HIS 2 -4.501 2.563 -6.234
21 H MET 3 HN MET 3 2.488 1.322 -4.144
22 HA MET 3 HA MET 3 2.195 3.137 -6.289
23 HB2 MET 3 1HB MET 3 4.720 2.884 -6.455
24 HB3 MET 3 2HB MET 3 4.089 3.426 -4.905
25 HG2 MET 3 1HG MET 3 5.224 1.800 -3.935
26 HG3 MET 3 2HG MET 3 4.175 0.639 -4.745
27 HE1 MET 3 3HE MET 3 6.110 -1.191 -7.064
28 HE2 MET 3 1HE MET 3 6.309 -1.480 -5.335
29 HE3 MET 3 2HE MET 3 4.744 -0.970 -5.970
30 H ALA 4 HN ALA 4 2.816 -0.300 -6.134
31 HA ALA 4 HA ALA 4 3.648 -0.602 -8.843
32 HB1 ALA 4 1HB ALA 4 2.796 -2.475 -6.678
33 HB2 ALA 4 2HB ALA 4 2.954 -3.059 -8.336
34 HB3 ALA 4 3HB ALA 4 4.345 -2.353 -7.513
35 H GLY 5 HN GLY 5 0.548 -0.814 -7.168
36 HA2 GLY 5 1HA GLY 5 -0.902 -1.811 -9.416
37 HA3 GLY 5 2HA GLY 5 -1.595 -1.116 -7.958
38 H ALA 6 HN ALA 6 -0.566 1.427 -7.986
39 HA ALA 6 HA ALA 6 -2.267 2.710 -9.852
40 HB1 ALA 6 1HB ALA 6 -2.051 4.329 -8.354
41 HB2 ALA 6 2HB ALA 6 -0.738 3.452 -7.567
42 HB3 ALA 6 3HB ALA 6 -0.385 4.579 -8.877
43 H ALA 7 HN ALA 7 1.195 2.081 -9.771
44 HA ALA 7 HA ALA 7 1.849 3.719 -12.006
45 HB1 ALA 7 1HB ALA 7 3.466 2.979 -10.258
46 HB2 ALA 7 2HB ALA 7 3.403 1.361 -10.958
47 HB3 ALA 7 3HB ALA 7 4.015 2.711 -11.913
48 H ALA 8 HN ALA 8 1.100 0.285 -11.607
49 HA ALA 8 HA ALA 8 1.655 -0.483 -14.270
50 HB1 ALA 8 1HB ALA 8 -0.323 -1.812 -12.431
51 HB2 ALA 8 2HB ALA 8 0.593 -2.541 -13.750
52 HB3 ALA 8 3HB ALA 8 1.423 -2.013 -12.286
53 H ALA 9 HN ALA 9 -1.371 0.422 -12.639
54 HA ALA 9 HA ALA 9 -3.002 0.110 -14.946
55 HB1 ALA 9 1HB ALA 9 -4.684 0.476 -13.529
56 HB2 ALA 9 2HB ALA 9 -3.459 0.509 -12.259
57 HB3 ALA 9 3HB ALA 9 -4.009 2.015 -12.994
58 H GLY 10 HN GLY 10 -1.262 2.828 -13.526
59 HA2 GLY 10 1HA GLY 10 -2.402 4.804 -15.248
60 HA3 GLY 10 2HA GLY 10 -0.973 4.999 -14.245
61 H ALA 11 HN ALA 11 0.492 2.800 -15.380
62 HA ALA 11 HA ALA 11 1.681 4.150 -17.581
63 HB1 ALA 11 1HB ALA 11 2.120 1.456 -16.333
64 HB2 ALA 11 2HB ALA 11 3.007 1.977 -17.766
65 HB3 ALA 11 3HB ALA 11 3.148 2.887 -16.262
66 H VAL 12 HN VAL 12 -0.362 1.268 -17.297
67 HA VAL 12 HA VAL 12 -0.295 0.554 -20.029
68 HB VAL 12 HB VAL 12 -2.433 -0.689 -19.495
69 HG11 VAL 12 1HG1 VAL 12 0.020 -1.106 -17.797
70 HG12 VAL 12 2HG1 VAL 12 -1.288 -2.281 -17.944
71 HG13 VAL 12 3HG1 VAL 12 -0.340 -1.834 -19.363
72 HG21 VAL 12 3HG2 VAL 12 -2.019 0.781 -16.939
73 HG22 VAL 12 1HG2 VAL 12 -3.514 0.391 -17.790
74 HG23 VAL 12 2HG2 VAL 12 -2.669 -0.858 -16.875
75 H VAL 13 HN VAL 13 -2.801 2.256 -18.145
76 HA VAL 13 HA VAL 13 -4.479 2.839 -20.318
77 HB VAL 13 HB VAL 13 -4.164 4.417 -17.760
78 HG11 VAL 13 1HG1 VAL 13 -6.516 5.077 -18.205
79 HG12 VAL 13 2HG1 VAL 13 -5.375 5.689 -19.404
80 HG13 VAL 13 3HG1 VAL 13 -6.396 4.301 -19.784
81 HG21 VAL 13 3HG2 VAL 13 -4.935 1.772 -18.051
82 HG22 VAL 13 1HG2 VAL 13 -5.259 2.813 -16.665
83 HG23 VAL 13 2HG2 VAL 13 -6.459 2.653 -17.947
84 H GLY 14 HN GLY 14 -1.791 4.638 -18.887
85 HA2 GLY 14 1HA GLY 14 -2.131 7.017 -20.367
86 HA3 GLY 14 2HA GLY 14 -0.636 6.485 -19.611
87 H GLY 15 HN GLY 15 -0.532 3.986 -21.130
88 HA2 GLY 15 1HA GLY 15 0.900 4.970 -23.392
89 HA3 GLY 15 2HA GLY 15 0.592 3.282 -23.012
90 H LEU 16 HN LEU 16 -2.095 3.063 -23.102
91 HA LEU 16 HA LEU 16 -2.606 3.092 -25.904
92 HB2 LEU 16 1HB LEU 16 -4.844 2.242 -25.252
93 HB3 LEU 16 2HB LEU 16 -3.500 1.314 -24.592
94 HG LEU 16 HG LEU 16 -4.141 3.192 -22.620
95 HD11 LEU 16 1HD1 LEU 16 -6.640 1.881 -23.678
96 HD12 LEU 16 2HD1 LEU 16 -6.255 3.595 -23.826
97 HD13 LEU 16 3HD1 LEU 16 -6.501 2.881 -22.232
98 HD21 LEU 16 3HD2 LEU 16 -4.729 1.254 -21.328
99 HD22 LEU 16 1HD2 LEU 16 -3.358 0.851 -22.361
100 HD23 LEU 16 2HD2 LEU 16 -4.977 0.300 -22.791
101 H GLY 17 HN GLY 17 -3.782 4.992 -23.158
102 HA2 GLY 17 1HA GLY 17 -5.695 6.485 -24.637
103 HA3 GLY 17 2HA GLY 17 -5.038 6.916 -23.065
104 H GLY 18 HN GLY 18 -2.310 7.084 -23.782
105 HA2 GLY 18 1HA GLY 18 -2.227 9.740 -24.769
106 HA3 GLY 18 2HA GLY 18 -0.837 8.707 -24.473
107 H TYR 19 HN TYR 19 -1.776 6.618 -26.294
108 HA TYR 19 HA TYR 19 -0.583 7.615 -28.678
109 HB2 TYR 19 1HB TYR 19 -0.302 5.286 -28.028
110 HB3 TYR 19 2HB TYR 19 -2.038 5.018 -28.136
111 HD1 TYR 19 HD2 TYR 19 -0.700 7.171 -30.679
112 HD2 TYR 19 HD1 TYR 19 -1.369 3.097 -29.648
113 HE1 TYR 19 HE2 TYR 19 -0.453 6.538 -33.042
114 HE2 TYR 19 HE1 TYR 19 -1.123 2.453 -32.008
115 HH TYR 19 HH TYR 19 0.129 3.526 -34.087
116 H MET 20 HN MET 20 -3.847 6.290 -28.093
117 HA MET 20 HA MET 20 -4.977 6.936 -30.527
118 HB2 MET 20 1HB MET 20 -7.162 7.051 -29.205
119 HB3 MET 20 2HB MET 20 -6.243 5.555 -29.104
120 HG2 MET 20 1HG MET 20 -5.224 6.604 -26.975
121 HG3 MET 20 2HG MET 20 -6.614 7.684 -27.044
122 HE1 MET 20 3HE MET 20 -5.667 4.189 -27.775
123 HE2 MET 20 1HE MET 20 -6.448 3.211 -26.532
124 HE3 MET 20 2HE MET 20 -7.310 3.596 -28.022
125 H LEU 21 HN LEU 21 -5.319 8.852 -27.533
126 HA LEU 21 HA LEU 21 -6.485 11.084 -28.774
127 HB2 LEU 21 1HB LEU 21 -5.725 10.319 -26.171
128 HB3 LEU 21 2HB LEU 21 -4.954 11.872 -26.486
129 HG LEU 21 HG LEU 21 -7.042 12.262 -25.384
130 HD11 LEU 21 1HD1 LEU 21 -7.845 13.906 -26.757
131 HD12 LEU 21 2HD1 LEU 21 -7.762 12.897 -28.201
132 HD13 LEU 21 3HD1 LEU 21 -6.288 13.589 -27.524
133 HD21 LEU 21 3HD2 LEU 21 -8.860 11.307 -27.417
134 HD22 LEU 21 1HD2 LEU 21 -8.864 11.021 -25.676
135 HD23 LEU 21 2HD2 LEU 21 -7.903 9.991 -26.737
136 H GLY 22 HN GLY 22 -3.190 10.053 -28.503
137 HA2 GLY 22 1HA GLY 22 -1.982 12.597 -28.990
138 HA3 GLY 22 2HA GLY 22 -1.198 11.030 -29.128
139 H SER 23 HN SER 23 -2.468 9.750 -31.081
140 HA SER 23 HA SER 23 -1.590 11.143 -33.420
141 HB2 SER 23 1HB SER 23 -1.317 9.007 -34.048
142 HB3 SER 23 2HB SER 23 -2.315 8.435 -32.711
143 HG SER 23 HG SER 23 -3.598 7.894 -34.304
144 H ALA 24 HN ALA 24 -4.650 10.586 -31.860
145 HA ALA 24 HA ALA 24 -6.347 11.168 -34.042
146 HB1 ALA 24 1HB ALA 24 -8.102 11.390 -32.421
147 HB2 ALA 24 2HB ALA 24 -7.061 10.049 -31.941
148 HB3 ALA 24 3HB ALA 24 -6.933 11.603 -31.117
149 H MET 25 HN MET 25 -4.983 13.201 -31.472
150 HA MET 25 HA MET 25 -6.246 15.584 -32.474
151 HB2 MET 25 1HB MET 25 -5.931 15.755 -30.199
152 HB3 MET 25 2HB MET 25 -4.381 14.926 -30.242
153 HG2 MET 25 1HG MET 25 -3.290 16.876 -31.096
154 HG3 MET 25 2HG MET 25 -4.831 17.709 -31.287
155 HE1 MET 25 3HE MET 25 -3.980 15.614 -27.785
156 HE2 MET 25 1HE MET 25 -2.646 15.794 -28.924
157 HE3 MET 25 2HE MET 25 -2.645 16.705 -27.414
158 H SER 26 HN SER 26 -3.231 13.933 -32.932
159 HA SER 26 HA SER 26 -1.785 16.156 -33.991
160 HB2 SER 26 1HB SER 26 -1.352 13.203 -33.838
161 HB3 SER 26 2HB SER 26 -0.384 14.135 -34.980
162 HG SER 26 HG SER 26 -0.564 14.486 -32.173
163 H ARG 27 HN ARG 27 -3.882 13.695 -35.324
164 HA ARG 27 HA ARG 27 -4.068 15.174 -37.803
165 HB2 ARG 27 1HB ARG 27 -3.643 13.080 -39.164
166 HB3 ARG 27 2HB ARG 27 -2.226 13.820 -38.432
167 HG2 ARG 27 1HG ARG 27 -3.616 11.664 -36.935
168 HG3 ARG 27 2HG ARG 27 -2.636 11.224 -38.334
169 HD2 ARG 27 1HD ARG 27 -0.967 12.933 -37.062
170 HD3 ARG 27 2HD ARG 27 -1.827 12.234 -35.691
171 HE ARG 27 HE ARG 27 -0.751 10.246 -36.069
172 HH11 ARG 27 1HH1 ARG 27 -0.365 12.310 -38.845
173 HH12 ARG 27 2HH1 ARG 27 0.788 11.274 -39.618
174 HH21 ARG 27 1HH2 ARG 27 0.766 8.873 -37.077
175 HH22 ARG 27 2HH2 ARG 27 1.430 9.318 -38.612
Start of MODEL 18
1 H1 LYS 1 HN LYS 1 1.661 1.023 0.711
2 HA LYS 1 HA LYS 1 2.738 0.564 -1.298
3 HB2 LYS 1 1HB LYS 1 2.376 -2.002 -1.733
4 HB3 LYS 1 2HB LYS 1 3.201 -1.451 -0.281
5 HG2 LYS 1 1HG LYS 1 1.618 -3.200 0.251
6 HG3 LYS 1 2HG LYS 1 1.117 -1.675 0.984
7 HD2 LYS 1 1HD LYS 1 -0.793 -2.825 0.011
8 HD3 LYS 1 2HD LYS 1 -0.468 -1.322 -0.856
9 HE2 LYS 1 1HE LYS 1 -0.254 -2.439 -2.763
10 HE3 LYS 1 2HE LYS 1 1.025 -3.432 -2.066
11 HZ1 LYS 1 3HZ LYS 1 -1.500 -4.278 -1.113
12 HZ2 LYS 1 1HZ LYS 1 -0.344 -5.153 -1.987
13 HZ3 LYS 1 2HZ LYS 1 -1.513 -4.243 -2.804
14 H HIS 2 HN HIS 2 -0.136 1.477 -1.602
15 HA HIS 2 HA HIS 2 -1.200 0.036 -3.830
16 HB2 HIS 2 1HB HIS 2 -2.907 1.702 -3.894
17 HB3 HIS 2 2HB HIS 2 -2.546 1.414 -2.195
18 HD1 HIS 2 HD1 HIS 2 0.119 3.267 -2.368
19 HD2 HIS 2 HD2 HIS 2 -3.780 4.310 -3.353
20 HE1 HIS 2 HE1 HIS 2 0.025 5.772 -2.177
21 H MET 3 HN MET 3 1.479 1.870 -3.629
22 HA MET 3 HA MET 3 1.281 3.605 -5.850
23 HB2 MET 3 1HB MET 3 3.819 3.491 -5.789
24 HB3 MET 3 2HB MET 3 3.028 4.033 -4.315
25 HG2 MET 3 1HG MET 3 4.176 2.503 -3.213
26 HG3 MET 3 2HG MET 3 3.245 1.267 -4.055
27 HE1 MET 3 3HE MET 3 3.986 -0.361 -5.164
28 HE2 MET 3 1HE MET 3 5.449 -0.558 -6.130
29 HE3 MET 3 2HE MET 3 5.516 -0.755 -4.378
30 H ALA 4 HN ALA 4 2.061 0.213 -5.530
31 HA ALA 4 HA ALA 4 3.143 -0.119 -8.146
32 HB1 ALA 4 1HB ALA 4 3.813 -1.798 -6.723
33 HB2 ALA 4 2HB ALA 4 2.215 -1.967 -5.995
34 HB3 ALA 4 3HB ALA 4 2.518 -2.596 -7.614
35 H GLY 5 HN GLY 5 -0.077 -0.452 -6.739
36 HA2 GLY 5 1HA GLY 5 -1.271 -1.587 -9.072
37 HA3 GLY 5 2HA GLY 5 -2.124 -0.892 -7.702
38 H ALA 6 HN ALA 6 -1.228 1.702 -7.723
39 HA ALA 6 HA ALA 6 -2.823 2.840 -9.769
40 HB1 ALA 6 1HB ALA 6 -1.540 3.724 -7.384
41 HB2 ALA 6 2HB ALA 6 -1.132 4.833 -8.694
42 HB3 ALA 6 3HB ALA 6 -2.822 4.508 -8.308
43 H ALA 7 HN ALA 7 0.647 2.401 -9.368
44 HA ALA 7 HA ALA 7 1.409 4.010 -11.590
45 HB1 ALA 7 1HB ALA 7 3.608 3.123 -11.280
46 HB2 ALA 7 2HB ALA 7 2.904 3.407 -9.687
47 HB3 ALA 7 3HB ALA 7 2.985 1.769 -10.336
48 H ALA 8 HN ALA 8 0.806 0.553 -11.147
49 HA ALA 8 HA ALA 8 1.631 -0.257 -13.726
50 HB1 ALA 8 1HB ALA 8 1.307 -1.742 -11.723
51 HB2 ALA 8 2HB ALA 8 -0.429 -1.640 -12.022
52 HB3 ALA 8 3HB ALA 8 0.635 -2.354 -13.235
53 H ALA 9 HN ALA 9 -1.569 0.528 -12.393
54 HA ALA 9 HA ALA 9 -2.972 0.065 -14.821
55 HB1 ALA 9 1HB ALA 9 -3.818 0.235 -12.341
56 HB2 ALA 9 2HB ALA 9 -4.033 1.935 -12.760
57 HB3 ALA 9 3HB ALA 9 -4.864 0.687 -13.687
58 H GLY 10 HN GLY 10 -1.505 2.911 -13.344
59 HA2 GLY 10 1HA GLY 10 -2.590 4.774 -15.221
60 HA3 GLY 10 2HA GLY 10 -1.266 5.073 -14.105
61 H ALA 11 HN ALA 11 0.404 2.927 -15.037
62 HA ALA 11 HA ALA 11 1.711 4.278 -17.170
63 HB1 ALA 11 1HB ALA 11 3.162 2.183 -17.170
64 HB2 ALA 11 2HB ALA 11 3.116 3.131 -15.683
65 HB3 ALA 11 3HB ALA 11 2.178 1.642 -15.810
66 H VAL 12 HN VAL 12 -0.198 1.299 -16.971
67 HA VAL 12 HA VAL 12 0.146 0.514 -19.662
68 HB VAL 12 HB VAL 12 -1.963 -0.828 -19.275
69 HG11 VAL 12 1HG1 VAL 12 0.347 -1.065 -17.355
70 HG12 VAL 12 2HG1 VAL 12 -0.880 -2.313 -17.583
71 HG13 VAL 12 3HG1 VAL 12 0.168 -1.851 -18.924
72 HG21 VAL 12 3HG2 VAL 12 -2.420 -0.935 -16.681
73 HG22 VAL 12 1HG2 VAL 12 -1.853 0.734 -16.744
74 HG23 VAL 12 2HG2 VAL 12 -3.247 0.239 -17.705
75 H VAL 13 HN VAL 13 -2.600 2.130 -18.058
76 HA VAL 13 HA VAL 13 -4.109 2.560 -20.385
77 HB VAL 13 HB VAL 13 -4.100 4.222 -17.861
78 HG11 VAL 13 1HG1 VAL 13 -5.991 4.024 -20.183
79 HG12 VAL 13 2HG1 VAL 13 -6.529 4.577 -18.596
80 HG13 VAL 13 3HG1 VAL 13 -5.272 5.463 -19.460
81 HG21 VAL 13 3HG2 VAL 13 -6.277 2.335 -18.190
82 HG22 VAL 13 1HG2 VAL 13 -4.707 1.535 -18.133
83 HG23 VAL 13 2HG2 VAL 13 -5.206 2.593 -16.813
84 H GLY 14 HN GLY 14 -1.653 4.541 -18.787
85 HA2 GLY 14 1HA GLY 14 -1.983 6.855 -20.368
86 HA3 GLY 14 2HA GLY 14 -0.535 6.427 -19.469
87 H GLY 15 HN GLY 15 -0.170 3.895 -20.892
88 HA2 GLY 15 1HA GLY 15 1.402 4.891 -23.052
89 HA3 GLY 15 2HA GLY 15 1.148 3.200 -22.647
90 H LEU 16 HN LEU 16 -1.505 2.835 -22.960
91 HA LEU 16 HA LEU 16 -1.770 2.758 -25.795
92 HB2 LEU 16 1HB LEU 16 -4.012 1.810 -25.310
93 HB3 LEU 16 2HB LEU 16 -2.684 0.971 -24.510
94 HG LEU 16 HG LEU 16 -3.587 2.866 -22.660
95 HD11 LEU 16 1HD1 LEU 16 -5.914 1.391 -23.882
96 HD12 LEU 16 2HD1 LEU 16 -5.609 3.119 -24.050
97 HD13 LEU 16 3HD1 LEU 16 -5.953 2.435 -22.461
98 HD21 LEU 16 3HD2 LEU 16 -2.708 0.578 -22.262
99 HD22 LEU 16 1HD2 LEU 16 -4.255 -0.070 -22.806
100 HD23 LEU 16 2HD2 LEU 16 -4.181 0.935 -21.359
101 H GLY 17 HN GLY 17 -3.278 4.667 -23.224
102 HA2 GLY 17 1HA GLY 17 -5.127 6.014 -24.909
103 HA3 GLY 17 2HA GLY 17 -4.634 6.523 -23.301
104 H GLY 18 HN GLY 18 -1.864 6.814 -23.789
105 HA2 GLY 18 1HA GLY 18 -1.830 9.444 -24.847
106 HA3 GLY 18 2HA GLY 18 -0.420 8.494 -24.402
107 H TYR 19 HN TYR 19 -1.089 6.310 -26.230
108 HA TYR 19 HA TYR 19 0.251 7.307 -28.535
109 HB2 TYR 19 1HB TYR 19 0.595 5.015 -27.790
110 HB3 TYR 19 2HB TYR 19 -1.109 4.650 -28.037
111 HD1 TYR 19 HD2 TYR 19 0.328 6.804 -30.523
112 HD2 TYR 19 HD1 TYR 19 -0.211 2.729 -29.425
113 HE1 TYR 19 HE2 TYR 19 0.811 6.123 -32.837
114 HE2 TYR 19 HE1 TYR 19 0.272 2.036 -31.735
115 HH TYR 19 HH TYR 19 0.820 4.424 -34.292
116 H MET 20 HN MET 20 -2.978 5.822 -28.187
117 HA MET 20 HA MET 20 -3.926 6.342 -30.727
118 HB2 MET 20 1HB MET 20 -6.220 6.368 -29.600
119 HB3 MET 20 2HB MET 20 -5.234 4.930 -29.375
120 HG2 MET 20 1HG MET 20 -4.461 6.090 -27.200
121 HG3 MET 20 2HG MET 20 -5.897 7.087 -27.421
122 HE1 MET 20 3HE MET 20 -6.283 2.942 -28.327
123 HE2 MET 20 1HE MET 20 -4.702 3.632 -27.958
124 HE3 MET 20 2HE MET 20 -5.536 2.646 -26.756
125 H LEU 21 HN LEU 21 -4.625 8.311 -27.831
126 HA LEU 21 HA LEU 21 -5.796 10.443 -29.234
127 HB2 LEU 21 1HB LEU 21 -5.261 9.782 -26.559
128 HB3 LEU 21 2HB LEU 21 -4.496 11.345 -26.835
129 HG LEU 21 HG LEU 21 -6.657 11.777 -25.970
130 HD11 LEU 21 1HD1 LEU 21 -7.114 12.119 -28.907
131 HD12 LEU 21 2HD1 LEU 21 -5.837 13.013 -28.083
132 HD13 LEU 21 3HD1 LEU 21 -7.516 13.207 -27.578
133 HD21 LEU 21 3HD2 LEU 21 -7.397 9.474 -27.599
134 HD22 LEU 21 1HD2 LEU 21 -8.549 10.805 -27.701
135 HD23 LEU 21 2HD2 LEU 21 -8.139 10.113 -26.132
136 H GLY 22 HN GLY 22 -2.488 9.600 -28.655
137 HA2 GLY 22 1HA GLY 22 -1.376 12.194 -29.108
138 HA3 GLY 22 2HA GLY 22 -0.503 10.669 -29.135
139 H SER 23 HN SER 23 -1.532 9.276 -31.153
140 HA SER 23 HA SER 23 -0.530 10.662 -33.447
141 HB2 SER 23 1HB SER 23 -0.087 8.530 -33.987
142 HB3 SER 23 2HB SER 23 -1.166 7.934 -32.726
143 HG SER 23 HG SER 23 -2.647 7.584 -34.177
144 H ALA 24 HN ALA 24 -3.679 9.959 -32.140
145 HA ALA 24 HA ALA 24 -5.208 10.400 -34.475
146 HB1 ALA 24 1HB ALA 24 -6.038 9.279 -32.418
147 HB2 ALA 24 2HB ALA 24 -6.075 10.854 -31.625
148 HB3 ALA 24 3HB ALA 24 -7.109 10.545 -33.019
149 H MET 25 HN MET 25 -4.194 12.556 -31.845
150 HA MET 25 HA MET 25 -5.498 14.842 -33.008
151 HB2 MET 25 1HB MET 25 -5.373 14.962 -30.680
152 HB3 MET 25 2HB MET 25 -3.707 14.402 -30.643
153 HG2 MET 25 1HG MET 25 -4.195 16.965 -32.017
154 HG3 MET 25 2HG MET 25 -4.422 16.950 -30.270
155 HE1 MET 25 3HE MET 25 -1.179 15.007 -29.373
156 HE2 MET 25 1HE MET 25 -1.674 16.479 -28.538
157 HE3 MET 25 2HE MET 25 -2.883 15.288 -29.014
158 H SER 26 HN SER 26 -2.360 13.368 -33.157
159 HA SER 26 HA SER 26 -0.960 15.651 -34.144
160 HB2 SER 26 1HB SER 26 0.474 14.079 -33.202
161 HB3 SER 26 2HB SER 26 -0.364 12.718 -33.947
162 HG SER 26 HG SER 26 0.752 12.990 -35.741
163 H ARG 27 HN ARG 27 -2.783 13.042 -35.592
164 HA ARG 27 HA ARG 27 -3.503 12.661 -37.715
165 HB2 ARG 27 1HB ARG 27 -2.720 15.523 -38.279
166 HB3 ARG 27 2HB ARG 27 -3.900 14.550 -39.147
167 HG2 ARG 27 1HG ARG 27 -4.179 15.356 -36.262
168 HG3 ARG 27 2HG ARG 27 -4.883 16.242 -37.616
169 HD2 ARG 27 1HD ARG 27 -6.145 14.240 -38.257
170 HD3 ARG 27 2HD ARG 27 -5.448 13.369 -36.891
171 HE ARG 27 HE ARG 27 -6.608 15.527 -35.736
172 HH11 ARG 27 1HH1 ARG 27 -7.739 13.076 -37.935
173 HH12 ARG 27 2HH1 ARG 27 -9.372 13.127 -37.358
174 HH21 ARG 27 1HH2 ARG 27 -8.755 15.603 -34.968
175 HH22 ARG 27 2HH2 ARG 27 -9.949 14.566 -35.671
Start of MODEL 19
1 H1 LYS 1 HN LYS 1 0.958 0.196 0.807
2 HA LYS 1 HA LYS 1 2.524 0.681 -1.316
3 HB2 LYS 1 1HB LYS 1 2.656 -1.654 -1.730
4 HB3 LYS 1 2HB LYS 1 2.342 -1.475 -0.008
5 HG2 LYS 1 1HG LYS 1 -0.148 -1.756 -0.711
6 HG3 LYS 1 2HG LYS 1 0.544 -2.474 -2.167
7 HD2 LYS 1 1HD LYS 1 1.682 -3.426 0.377
8 HD3 LYS 1 2HD LYS 1 -0.008 -3.852 0.097
9 HE2 LYS 1 1HE LYS 1 0.622 -4.788 -2.095
10 HE3 LYS 1 2HE LYS 1 2.309 -4.410 -1.753
11 HZ1 LYS 1 3HZ LYS 1 2.209 -6.575 -1.088
12 HZ2 LYS 1 1HZ LYS 1 0.596 -6.481 -0.584
13 HZ3 LYS 1 2HZ LYS 1 1.822 -5.818 0.374
14 H HIS 2 HN HIS 2 -0.126 1.917 -1.710
15 HA HIS 2 HA HIS 2 -1.347 0.675 -3.977
16 HB2 HIS 2 1HB HIS 2 -1.627 3.402 -2.718
17 HB3 HIS 2 2HB HIS 2 -2.519 2.934 -4.164
18 HD1 HIS 2 HD1 HIS 2 -3.588 3.545 -1.135
19 HD2 HIS 2 HD2 HIS 2 -3.347 -0.114 -3.090
20 HE1 HIS 2 HE1 HIS 2 -5.269 2.061 0.005
21 H MET 3 HN MET 3 1.573 2.084 -3.699
22 HA MET 3 HA MET 3 1.674 3.840 -5.916
23 HB2 MET 3 1HB MET 3 3.408 4.002 -4.296
24 HB3 MET 3 2HB MET 3 3.796 2.293 -4.436
25 HG2 MET 3 1HG MET 3 4.100 3.403 -7.003
26 HG3 MET 3 2HG MET 3 4.870 4.511 -5.869
27 HE1 MET 3 3HE MET 3 4.811 0.715 -7.141
28 HE2 MET 3 1HE MET 3 5.906 0.020 -5.945
29 HE3 MET 3 2HE MET 3 4.365 0.709 -5.434
30 H ALA 4 HN ALA 4 2.187 0.373 -5.557
31 HA ALA 4 HA ALA 4 3.159 -0.048 -8.202
32 HB1 ALA 4 1HB ALA 4 3.183 -2.309 -7.694
33 HB2 ALA 4 2HB ALA 4 3.387 -1.555 -6.112
34 HB3 ALA 4 3HB ALA 4 1.810 -2.181 -6.595
35 H GLY 5 HN GLY 5 -0.029 -0.173 -6.692
36 HA2 GLY 5 1HA GLY 5 -1.366 -1.273 -8.959
37 HA3 GLY 5 2HA GLY 5 -2.128 -0.489 -7.583
38 H ALA 6 HN ALA 6 -1.078 2.039 -7.694
39 HA ALA 6 HA ALA 6 -2.651 3.225 -9.731
40 HB1 ALA 6 1HB ALA 6 -1.258 4.084 -7.398
41 HB2 ALA 6 2HB ALA 6 -0.820 5.137 -8.744
42 HB3 ALA 6 3HB ALA 6 -2.515 4.921 -8.309
43 H ALA 7 HN ALA 7 0.793 2.580 -9.398
44 HA ALA 7 HA ALA 7 1.604 4.092 -11.670
45 HB1 ALA 7 1HB ALA 7 3.747 3.075 -11.390
46 HB2 ALA 7 2HB ALA 7 3.099 3.424 -9.786
47 HB3 ALA 7 3HB ALA 7 3.062 1.776 -10.413
48 H ALA 8 HN ALA 8 0.789 0.691 -11.144
49 HA ALA 8 HA ALA 8 1.496 -0.218 -13.726
50 HB1 ALA 8 1HB ALA 8 1.131 -1.642 -11.686
51 HB2 ALA 8 2HB ALA 8 -0.602 -1.436 -11.945
52 HB3 ALA 8 3HB ALA 8 0.384 -2.238 -13.168
53 H ALA 9 HN ALA 9 -1.614 0.788 -12.330
54 HA ALA 9 HA ALA 9 -3.108 0.371 -14.709
55 HB1 ALA 9 1HB ALA 9 -4.276 0.378 -12.637
56 HB2 ALA 9 2HB ALA 9 -3.678 1.988 -12.234
57 HB3 ALA 9 3HB ALA 9 -4.831 1.780 -13.553
58 H GLY 10 HN GLY 10 -1.416 3.145 -13.341
59 HA2 GLY 10 1HA GLY 10 -2.428 5.032 -15.236
60 HA3 GLY 10 2HA GLY 10 -1.061 5.271 -14.158
61 H ALA 11 HN ALA 11 0.446 3.002 -15.074
62 HA ALA 11 HA ALA 11 1.785 4.216 -17.269
63 HB1 ALA 11 1HB ALA 11 2.129 1.457 -16.099
64 HB2 ALA 11 2HB ALA 11 3.246 2.258 -17.205
65 HB3 ALA 11 3HB ALA 11 2.982 2.915 -15.590
66 H VAL 12 HN VAL 12 -0.300 1.366 -16.955
67 HA VAL 12 HA VAL 12 -0.075 0.506 -19.636
68 HB VAL 12 HB VAL 12 -2.258 -0.690 -19.164
69 HG11 VAL 12 1HG1 VAL 12 -0.185 -1.842 -18.866
70 HG12 VAL 12 2HG1 VAL 12 0.095 -1.048 -17.315
71 HG13 VAL 12 3HG1 VAL 12 -1.215 -2.217 -17.485
72 HG21 VAL 12 3HG2 VAL 12 -3.447 0.396 -17.563
73 HG22 VAL 12 1HG2 VAL 12 -2.555 -0.703 -16.510
74 HG23 VAL 12 2HG2 VAL 12 -2.005 0.959 -16.717
75 H VAL 13 HN VAL 13 -2.675 2.319 -17.999
76 HA VAL 13 HA VAL 13 -4.219 2.793 -20.294
77 HB VAL 13 HB VAL 13 -4.034 4.496 -17.805
78 HG11 VAL 13 1HG1 VAL 13 -5.593 4.721 -20.239
79 HG12 VAL 13 2HG1 VAL 13 -6.612 4.613 -18.803
80 HG13 VAL 13 3HG1 VAL 13 -5.384 5.874 -18.921
81 HG21 VAL 13 3HG2 VAL 13 -6.096 2.391 -18.385
82 HG22 VAL 13 1HG2 VAL 13 -4.590 2.017 -17.546
83 HG23 VAL 13 2HG2 VAL 13 -5.723 3.176 -16.851
84 H GLY 14 HN GLY 14 -1.601 4.652 -18.812
85 HA2 GLY 14 1HA GLY 14 -1.832 6.946 -20.440
86 HA3 GLY 14 2HA GLY 14 -0.389 6.449 -19.569
87 H GLY 15 HN GLY 15 -0.218 3.868 -20.937
88 HA2 GLY 15 1HA GLY 15 1.351 4.715 -23.163
89 HA3 GLY 15 2HA GLY 15 1.005 3.053 -22.709
90 H LEU 16 HN LEU 16 -1.674 2.845 -22.942
91 HA LEU 16 HA LEU 16 -2.022 2.718 -25.766
92 HB2 LEU 16 1HB LEU 16 -4.302 1.921 -25.199
93 HB3 LEU 16 2HB LEU 16 -3.006 1.022 -24.411
94 HG LEU 16 HG LEU 16 -3.743 3.013 -22.589
95 HD11 LEU 16 1HD1 LEU 16 -6.125 2.732 -22.322
96 HD12 LEU 16 2HD1 LEU 16 -6.187 1.658 -23.718
97 HD13 LEU 16 3HD1 LEU 16 -5.780 3.360 -23.933
98 HD21 LEU 16 3HD2 LEU 16 -2.996 0.688 -22.151
99 HD22 LEU 16 1HD2 LEU 16 -4.591 0.121 -22.645
100 HD23 LEU 16 2HD2 LEU 16 -4.425 1.154 -21.226
101 H GLY 17 HN GLY 17 -3.336 4.777 -23.205
102 HA2 GLY 17 1HA GLY 17 -5.147 6.195 -24.874
103 HA3 GLY 17 2HA GLY 17 -4.578 6.711 -23.293
104 H GLY 18 HN GLY 18 -1.812 6.822 -23.858
105 HA2 GLY 18 1HA GLY 18 -1.648 9.418 -24.986
106 HA3 GLY 18 2HA GLY 18 -0.287 8.395 -24.551
107 H TYR 19 HN TYR 19 -1.137 6.211 -26.304
108 HA TYR 19 HA TYR 19 0.202 7.065 -28.666
109 HB2 TYR 19 1HB TYR 19 0.423 4.775 -27.870
110 HB3 TYR 19 2HB TYR 19 -1.307 4.512 -28.065
111 HD1 TYR 19 HD1 TYR 19 0.197 6.510 -30.642
112 HD2 TYR 19 HD2 TYR 19 -0.572 2.506 -29.426
113 HE1 TYR 19 HE1 TYR 19 0.576 5.744 -32.948
114 HE2 TYR 19 HE2 TYR 19 -0.193 1.728 -31.728
115 HH TYR 19 HH TYR 19 -0.349 3.449 -34.299
116 H MET 20 HN MET 20 -3.103 5.795 -28.199
117 HA MET 20 HA MET 20 -4.084 6.309 -30.728
118 HB2 MET 20 1HB MET 20 -6.341 6.511 -29.545
119 HB3 MET 20 2HB MET 20 -5.443 5.019 -29.306
120 HG2 MET 20 1HG MET 20 -4.540 6.181 -27.184
121 HG3 MET 20 2HG MET 20 -5.914 7.263 -27.394
122 HE1 MET 20 3HE MET 20 -6.589 3.133 -28.184
123 HE2 MET 20 1HE MET 20 -4.957 3.725 -27.869
124 HE3 MET 20 2HE MET 20 -5.823 2.824 -26.625
125 H LEU 21 HN LEU 21 -4.582 8.393 -27.871
126 HA LEU 21 HA LEU 21 -5.653 10.558 -29.302
127 HB2 LEU 21 1HB LEU 21 -5.052 9.938 -26.619
128 HB3 LEU 21 2HB LEU 21 -4.251 11.466 -26.976
129 HG LEU 21 HG LEU 21 -6.422 12.398 -27.700
130 HD11 LEU 21 1HD1 LEU 21 -7.614 10.478 -28.409
131 HD12 LEU 21 2HD1 LEU 21 -8.469 11.113 -27.004
132 HD13 LEU 21 3HD1 LEU 21 -7.430 9.698 -26.838
133 HD21 LEU 21 3HD2 LEU 21 -5.515 12.516 -25.330
134 HD22 LEU 21 1HD2 LEU 21 -6.669 11.241 -24.937
135 HD23 LEU 21 2HD2 LEU 21 -7.245 12.799 -25.531
136 H GLY 22 HN GLY 22 -2.389 9.525 -28.780
137 HA2 GLY 22 1HA GLY 22 -1.131 12.030 -29.338
138 HA3 GLY 22 2HA GLY 22 -0.355 10.453 -29.341
139 H SER 23 HN SER 23 -1.521 9.072 -31.291
140 HA SER 23 HA SER 23 -0.495 10.326 -33.649
141 HB2 SER 23 1HB SER 23 -1.214 7.671 -32.825
142 HB3 SER 23 2HB SER 23 -1.991 8.028 -34.367
143 HG SER 23 HG SER 23 0.180 8.780 -35.025
144 H ALA 24 HN ALA 24 -3.646 9.874 -32.242
145 HA ALA 24 HA ALA 24 -5.208 10.344 -34.549
146 HB1 ALA 24 1HB ALA 24 -5.958 10.946 -31.693
147 HB2 ALA 24 2HB ALA 24 -7.052 10.667 -33.048
148 HB3 ALA 24 3HB ALA 24 -6.053 9.349 -32.435
149 H MET 25 HN MET 25 -3.977 12.509 -32.022
150 HA MET 25 HA MET 25 -5.157 14.840 -33.228
151 HB2 MET 25 1HB MET 25 -4.972 15.141 -30.953
152 HB3 MET 25 2HB MET 25 -3.433 14.296 -30.857
153 HG2 MET 25 1HG MET 25 -2.275 16.188 -31.777
154 HG3 MET 25 2HG MET 25 -3.799 17.026 -32.063
155 HE1 MET 25 3HE MET 25 -5.039 17.885 -28.510
156 HE2 MET 25 1HE MET 25 -5.430 17.721 -30.222
157 HE3 MET 25 2HE MET 25 -5.368 16.291 -29.191
158 H SER 26 HN SER 26 -2.136 13.147 -33.418
159 HA SER 26 HA SER 26 -0.609 15.297 -34.512
160 HB2 SER 26 1HB SER 26 -0.217 12.359 -34.157
161 HB3 SER 26 2HB SER 26 0.815 13.202 -35.312
162 HG SER 26 HG SER 26 1.050 14.746 -33.398
163 H ARG 27 HN ARG 27 -2.650 12.780 -35.828
164 HA ARG 27 HA ARG 27 -3.481 12.413 -37.913
165 HB2 ARG 27 1HB ARG 27 -2.429 15.137 -38.666
166 HB3 ARG 27 2HB ARG 27 -3.779 14.266 -39.380
167 HG2 ARG 27 1HG ARG 27 -3.721 15.297 -36.553
168 HG3 ARG 27 2HG ARG 27 -4.460 16.139 -37.916
169 HD2 ARG 27 1HD ARG 27 -6.024 14.339 -38.244
170 HD3 ARG 27 2HD ARG 27 -5.220 13.365 -37.014
171 HE ARG 27 HE ARG 27 -5.976 15.687 -35.747
172 HH11 ARG 27 1HH1 ARG 27 -7.571 13.119 -37.473
173 HH12 ARG 27 2HH1 ARG 27 -9.046 13.255 -36.576
174 HH21 ARG 27 1HH2 ARG 27 -7.913 15.877 -34.558
175 HH22 ARG 27 2HH2 ARG 27 -9.240 14.825 -34.918
Start of MODEL 20
1 H1 LYS 1 HN LYS 1 1.533 -0.786 0.800
2 HA LYS 1 HA LYS 1 2.307 1.040 -0.938
3 HB2 LYS 1 1HB LYS 1 3.486 -0.717 -2.267
4 HB3 LYS 1 2HB LYS 1 3.702 -0.871 -0.529
5 HG2 LYS 1 1HG LYS 1 2.609 -2.839 -0.428
6 HG3 LYS 1 2HG LYS 1 1.460 -2.391 -1.691
7 HD2 LYS 1 1HD LYS 1 3.659 -2.540 -3.186
8 HD3 LYS 1 2HD LYS 1 4.132 -3.663 -1.909
9 HE2 LYS 1 1HE LYS 1 1.510 -3.844 -3.377
10 HE3 LYS 1 2HE LYS 1 2.969 -4.683 -3.904
11 HZ1 LYS 1 3HZ LYS 1 1.695 -6.182 -2.601
12 HZ2 LYS 1 1HZ LYS 1 1.507 -5.058 -1.350
13 HZ3 LYS 1 2HZ LYS 1 3.028 -5.729 -1.662
14 H HIS 2 HN HIS 2 -0.061 1.650 -1.538
15 HA HIS 2 HA HIS 2 -1.237 0.264 -3.745
16 HB2 HIS 2 1HB HIS 2 -1.768 2.888 -2.382
17 HB3 HIS 2 2HB HIS 2 -2.587 2.481 -3.887
18 HD1 HIS 2 HD1 HIS 2 -4.672 2.719 -2.074
19 HD2 HIS 2 HD2 HIS 2 -2.290 -0.678 -1.869
20 HE1 HIS 2 HE1 HIS 2 -6.026 1.025 -0.802
21 H MET 3 HN MET 3 1.521 1.982 -3.602
22 HA MET 3 HA MET 3 1.344 3.734 -5.811
23 HB2 MET 3 1HB MET 3 3.875 3.514 -5.812
24 HB3 MET 3 2HB MET 3 3.143 4.080 -4.316
25 HG2 MET 3 1HG MET 3 4.254 2.498 -3.250
26 HG3 MET 3 2HG MET 3 3.249 1.307 -4.072
27 HE1 MET 3 3HE MET 3 3.891 -0.346 -5.201
28 HE2 MET 3 1HE MET 3 5.314 -0.600 -6.212
29 HE3 MET 3 2HE MET 3 5.425 -0.810 -4.465
30 H ALA 4 HN ALA 4 1.985 0.311 -5.523
31 HA ALA 4 HA ALA 4 2.991 -0.055 -8.164
32 HB1 ALA 4 1HB ALA 4 2.267 -2.506 -7.625
33 HB2 ALA 4 2HB ALA 4 3.622 -1.770 -6.769
34 HB3 ALA 4 3HB ALA 4 2.040 -1.869 -5.996
35 H GLY 5 HN GLY 5 -0.207 -0.257 -6.683
36 HA2 GLY 5 1HA GLY 5 -1.502 -1.330 -8.990
37 HA3 GLY 5 2HA GLY 5 -2.292 -0.605 -7.597
38 H ALA 6 HN ALA 6 -1.288 1.948 -7.630
39 HA ALA 6 HA ALA 6 -2.881 3.162 -9.633
40 HB1 ALA 6 1HB ALA 6 -1.081 5.077 -8.594
41 HB2 ALA 6 2HB ALA 6 -2.774 4.823 -8.168
42 HB3 ALA 6 3HB ALA 6 -1.505 3.982 -7.278
43 H ALA 7 HN ALA 7 0.576 2.574 -9.318
44 HA ALA 7 HA ALA 7 1.353 4.160 -11.551
45 HB1 ALA 7 1HB ALA 7 2.860 1.847 -10.344
46 HB2 ALA 7 2HB ALA 7 3.519 3.178 -11.296
47 HB3 ALA 7 3HB ALA 7 2.865 3.485 -9.687
48 H ALA 8 HN ALA 8 0.613 0.730 -11.107
49 HA ALA 8 HA ALA 8 1.342 -0.103 -13.708
50 HB1 ALA 8 1HB ALA 8 0.268 -2.158 -13.201
51 HB2 ALA 8 2HB ALA 8 1.001 -1.583 -11.703
52 HB3 ALA 8 3HB ALA 8 -0.734 -1.405 -11.960
53 H ALA 9 HN ALA 9 -1.789 0.811 -12.296
54 HA ALA 9 HA ALA 9 -3.268 0.420 -14.691
55 HB1 ALA 9 1HB ALA 9 -5.106 1.372 -13.547
56 HB2 ALA 9 2HB ALA 9 -4.192 0.464 -12.342
57 HB3 ALA 9 3HB ALA 9 -4.054 2.220 -12.413
58 H GLY 10 HN GLY 10 -1.647 3.194 -13.239
59 HA2 GLY 10 1HA GLY 10 -2.695 5.110 -15.083
60 HA3 GLY 10 2HA GLY 10 -1.333 5.348 -13.997
61 H ALA 11 HN ALA 11 0.221 3.136 -14.977
62 HA ALA 11 HA ALA 11 1.534 4.441 -17.136
63 HB1 ALA 11 1HB ALA 11 2.806 3.156 -15.541
64 HB2 ALA 11 2HB ALA 11 1.929 1.687 -15.973
65 HB3 ALA 11 3HB ALA 11 3.001 2.452 -17.146
66 H VAL 12 HN VAL 12 -0.496 1.545 -16.902
67 HA VAL 12 HA VAL 12 -0.249 0.759 -19.604
68 HB VAL 12 HB VAL 12 -2.405 -0.493 -19.172
69 HG11 VAL 12 1HG1 VAL 12 -1.346 -2.030 -17.510
70 HG12 VAL 12 2HG1 VAL 12 -0.312 -1.610 -18.877
71 HG13 VAL 12 3HG1 VAL 12 -0.062 -0.839 -17.310
72 HG21 VAL 12 3HG2 VAL 12 -2.168 1.049 -16.637
73 HG22 VAL 12 1HG2 VAL 12 -3.603 0.619 -17.568
74 HG23 VAL 12 2HG2 VAL 12 -2.804 -0.595 -16.568
75 H VAL 13 HN VAL 13 -2.885 2.483 -17.929
76 HA VAL 13 HA VAL 13 -4.428 2.989 -20.218
77 HB VAL 13 HB VAL 13 -4.291 4.637 -17.688
78 HG11 VAL 13 1HG1 VAL 13 -6.869 4.712 -18.667
79 HG12 VAL 13 2HG1 VAL 13 -5.668 5.998 -18.799
80 HG13 VAL 13 3HG1 VAL 13 -5.874 4.844 -20.117
81 HG21 VAL 13 3HG2 VAL 13 -5.439 3.049 -16.621
82 HG22 VAL 13 1HG2 VAL 13 -6.552 2.844 -17.974
83 HG23 VAL 13 2HG2 VAL 13 -5.016 1.976 -17.956
84 H GLY 14 HN GLY 14 -1.854 4.856 -18.669
85 HA2 GLY 14 1HA GLY 14 -2.122 7.190 -20.232
86 HA3 GLY 14 2HA GLY 14 -0.673 6.696 -19.369
87 H GLY 15 HN GLY 15 -0.450 4.159 -20.810
88 HA2 GLY 15 1HA GLY 15 1.113 5.099 -23.003
89 HA3 GLY 15 2HA GLY 15 0.798 3.418 -22.598
90 H LEU 16 HN LEU 16 -1.876 3.166 -22.851
91 HA LEU 16 HA LEU 16 -2.209 3.115 -25.679
92 HB2 LEU 16 1HB LEU 16 -4.475 2.257 -25.147
93 HB3 LEU 16 2HB LEU 16 -3.166 1.362 -24.377
94 HG LEU 16 HG LEU 16 -3.951 3.285 -22.504
95 HD11 LEU 16 1HD1 LEU 16 -5.987 3.633 -23.850
96 HD12 LEU 16 2HD1 LEU 16 -6.329 2.956 -22.259
97 HD13 LEU 16 3HD1 LEU 16 -6.364 1.918 -23.685
98 HD21 LEU 16 3HD2 LEU 16 -4.604 1.376 -21.198
99 HD22 LEU 16 1HD2 LEU 16 -3.165 0.961 -22.130
100 HD23 LEU 16 2HD2 LEU 16 -4.748 0.381 -22.648
101 H GLY 17 HN GLY 17 -3.573 5.074 -23.066
102 HA2 GLY 17 1HA GLY 17 -5.403 6.505 -24.702
103 HA3 GLY 17 2HA GLY 17 -4.852 6.984 -23.104
104 H GLY 18 HN GLY 18 -2.086 7.165 -23.649
105 HA2 GLY 18 1HA GLY 18 -1.966 9.796 -24.700
106 HA3 GLY 18 2HA GLY 18 -0.588 8.787 -24.288
107 H TYR 19 HN TYR 19 -1.389 6.640 -26.109
108 HA TYR 19 HA TYR 19 -0.055 7.588 -28.438
109 HB2 TYR 19 1HB TYR 19 0.209 5.281 -27.710
110 HB3 TYR 19 2HB TYR 19 -1.515 4.990 -27.918
111 HD1 TYR 19 HD2 TYR 19 -0.040 7.089 -30.430
112 HD2 TYR 19 HD1 TYR 19 -0.738 3.038 -29.333
113 HE1 TYR 19 HE2 TYR 19 0.360 6.397 -32.756
114 HE2 TYR 19 HE1 TYR 19 -0.339 2.334 -31.656
115 HH TYR 19 HH TYR 19 1.071 3.423 -33.691
116 H MET 20 HN MET 20 -3.336 6.241 -28.027
117 HA MET 20 HA MET 20 -4.315 6.809 -30.544
118 HB2 MET 20 1HB MET 20 -6.581 6.934 -29.368
119 HB3 MET 20 2HB MET 20 -5.655 5.453 -29.166
120 HG2 MET 20 1HG MET 20 -4.786 6.570 -27.007
121 HG3 MET 20 2HG MET 20 -6.177 7.634 -27.195
122 HE1 MET 20 3HE MET 20 -5.158 4.128 -27.763
123 HE2 MET 20 1HE MET 20 -6.016 3.176 -26.551
124 HE3 MET 20 2HE MET 20 -6.778 3.518 -28.105
125 H LEU 21 HN LEU 21 -4.861 8.801 -27.631
126 HA LEU 21 HA LEU 21 -5.973 10.985 -29.001
127 HB2 LEU 21 1HB LEU 21 -5.364 10.302 -26.338
128 HB3 LEU 21 2HB LEU 21 -4.578 11.848 -26.650
129 HG LEU 21 HG LEU 21 -6.760 12.197 -25.666
130 HD11 LEU 21 1HD1 LEU 21 -7.673 13.728 -27.276
131 HD12 LEU 21 2HD1 LEU 21 -6.840 12.905 -28.594
132 HD13 LEU 21 3HD1 LEU 21 -5.913 13.780 -27.375
133 HD21 LEU 21 3HD2 LEU 21 -8.528 10.943 -26.145
134 HD22 LEU 21 1HD2 LEU 21 -7.507 9.996 -27.228
135 HD23 LEU 21 2HD2 LEU 21 -8.425 11.366 -27.855
136 H GLY 22 HN GLY 22 -2.685 10.008 -28.494
137 HA2 GLY 22 1HA GLY 22 -1.480 12.549 -28.994
138 HA3 GLY 22 2HA GLY 22 -0.671 10.989 -29.035
139 H SER 23 HN SER 23 -1.803 9.631 -31.019
140 HA SER 23 HA SER 23 -0.799 10.955 -33.344
141 HB2 SER 23 1HB SER 23 -0.485 8.802 -33.889
142 HB3 SER 23 2HB SER 23 -1.554 8.268 -32.593
143 HG SER 23 HG SER 23 -3.198 8.173 -33.959
144 H ALA 24 HN ALA 24 -3.953 10.400 -31.969
145 HA ALA 24 HA ALA 24 -5.519 10.907 -34.256
146 HB1 ALA 24 1HB ALA 24 -6.348 9.875 -32.153
147 HB2 ALA 24 2HB ALA 24 -6.271 11.464 -31.391
148 HB3 ALA 24 3HB ALA 24 -7.363 11.189 -32.748
149 H MET 25 HN MET 25 -4.310 13.051 -31.700
150 HA MET 25 HA MET 25 -5.514 15.385 -32.872
151 HB2 MET 25 1HB MET 25 -4.208 14.708 -30.402
152 HB3 MET 25 2HB MET 25 -3.485 16.164 -31.072
153 HG2 MET 25 1HG MET 25 -5.389 17.391 -30.840
154 HG3 MET 25 2HG MET 25 -6.444 15.987 -30.994
155 HE1 MET 25 3HE MET 25 -3.773 17.695 -28.806
156 HE2 MET 25 1HE MET 25 -4.055 17.035 -27.195
157 HE3 MET 25 2HE MET 25 -3.342 16.022 -28.450
158 H SER 26 HN SER 26 -2.508 13.702 -33.144
159 HA SER 26 HA SER 26 -0.959 15.867 -34.158
160 HB2 SER 26 1HB SER 26 0.444 14.212 -33.409
161 HB3 SER 26 2HB SER 26 -0.631 12.916 -33.934
162 HG SER 26 HG SER 26 0.094 13.165 -36.012
163 H ARG 27 HN ARG 27 -3.176 13.582 -35.551
164 HA ARG 27 HA ARG 27 -2.533 13.416 -38.172
165 HB2 ARG 27 1HB ARG 27 -5.300 14.060 -37.135
166 HB3 ARG 27 2HB ARG 27 -4.922 13.325 -38.688
167 HG2 ARG 27 1HG ARG 27 -4.609 12.140 -35.948
168 HG3 ARG 27 2HG ARG 27 -5.616 11.573 -37.281
169 HD2 ARG 27 1HD ARG 27 -2.610 11.528 -37.102
170 HD3 ARG 27 2HD ARG 27 -3.702 10.144 -37.128
171 HE ARG 27 HE ARG 27 -4.036 11.704 -39.462
172 HH11 ARG 27 1HH1 ARG 27 -1.837 9.461 -37.961
173 HH12 ARG 27 2HH1 ARG 27 -1.203 8.875 -39.463
174 HH21 ARG 27 1HH2 ARG 27 -3.209 10.941 -41.447
175 HH22 ARG 27 2HH2 ARG 27 -1.984 9.718 -41.445