Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594941 | 2mud RC | 25206 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 3HA ACE 1 -12.649 -4.483 -1.046
2 H2 ACE 1 1HA ACE 1 -12.270 -4.565 -2.783
3 H3 ACE 1 2HA ACE 1 -13.968 -4.590 -2.248
4 H GLU 1 H GLU 1 -14.403 -2.625 -0.711
5 HA GLU 1 HA GLU 1 -14.418 -0.283 -2.234
6 HB2 GLU 1 2HB GLU 1 -15.031 -0.705 0.749
7 HB3 GLU 1 1HB GLU 1 -15.466 0.734 -0.113
8 HG2 GLU 1 1HG GLU 1 -16.894 -0.311 -1.686
9 HG3 GLU 1 2HG GLU 1 -16.493 -1.932 -1.103
10 HE2 GLU 1 HE2 GLU 1 -18.040 0.985 -0.453
11 H SER 2 H SER 2 -14.142 1.763 -0.454
12 HA SER 2 HA SER 2 -11.599 2.911 -0.998
13 HB2 SER 2 2HB SER 2 -13.729 4.101 -0.262
14 HB3 SER 2 1HB SER 2 -13.254 3.727 1.369
15 HG SER 2 HG SER 2 -11.272 4.808 0.979
16 H ALA 3 H ALA 3 -12.596 1.514 2.022
17 HA ALA 3 HA ALA 3 -9.836 1.660 3.136
18 HB1 ALA 3 3HB ALA 3 -10.819 0.675 5.251
19 HB2 ALA 3 1HB ALA 3 -11.877 1.976 4.638
20 HB3 ALA 3 2HB ALA 3 -12.313 0.260 4.361
21 H LYS 4 H LYS 4 -10.626 -0.103 1.058
22 HA LYS 4 HA LYS 4 -8.531 -2.108 1.507
23 HB2 LYS 4 1HB LYS 4 -10.970 -3.108 2.007
24 HB3 LYS 4 2HB LYS 4 -11.243 -2.978 0.283
25 HG2 LYS 4 2HG LYS 4 -10.713 -5.297 0.914
26 HG3 LYS 4 1HG LYS 4 -9.485 -4.690 -0.167
27 HD2 LYS 4 2HD LYS 4 -8.416 -6.012 1.543
28 HD3 LYS 4 1HD LYS 4 -7.900 -4.347 1.752
29 HE2 LYS 4 1HE LYS 4 -9.551 -4.078 3.678
30 HE3 LYS 4 2HE LYS 4 -10.103 -5.742 3.436
31 HZ1 LYS 4 2HZ LYS 4 -8.477 -5.622 5.172
32 HZ3 LYS 4 1HZ LYS 4 -7.877 -6.512 3.939
33 H HIS 5 H HIS 5 -9.272 0.187 -0.159
34 HA HIS 5 HA HIS 5 -7.643 -0.588 -2.567
35 HB2 HIS 5 1HB HIS 5 -10.040 0.119 -3.177
36 HB3 HIS 5 2HB HIS 5 -9.700 1.720 -2.526
37 HD2 HIS 5 HD2 HIS 5 -8.148 -0.808 -5.143
38 HE1 HIS 5 HE1 HIS 5 -7.094 3.002 -6.435
39 HE2 HIS 5 HE2 HIS 5 -6.880 0.517 -7.061
40 H MET 6 H MET 6 -8.154 1.925 -0.037
41 HA MET 6 HA MET 6 -5.654 3.327 -0.793
42 HB2 MET 6 1HB MET 6 -7.247 3.825 1.809
43 HB3 MET 6 2HB MET 6 -6.056 4.865 1.049
44 HG2 MET 6 2HG MET 6 -7.995 4.686 -0.973
45 HG3 MET 6 1HG MET 6 -8.992 4.558 0.469
46 HE1 MET 6 3HE MET 6 -9.049 7.021 -1.696
47 HE2 MET 6 1HE MET 6 -9.238 8.422 -0.601
48 HE3 MET 6 2HE MET 6 -10.177 6.930 -0.308
49 H PHE 7 H PHE 7 -6.917 1.112 1.723
50 HA PHE 7 HA PHE 7 -4.343 0.801 3.100
51 HB2 PHE 7 2HB PHE 7 -7.050 -0.543 3.098
52 HB3 PHE 7 1HB PHE 7 -5.799 -1.507 3.763
53 HD1 PHE 7 HD2 PHE 7 -4.577 -0.694 5.871
54 HD2 PHE 7 HD1 PHE 7 -7.922 1.469 4.246
55 HE1 PHE 7 HE2 PHE 7 -4.809 0.530 7.969
56 HE2 PHE 7 HE1 PHE 7 -8.158 2.687 6.341
57 HZ PHE 7 HZ PHE 7 -6.606 2.234 8.240
58 H ASP 8 H ASP 8 -6.009 -0.959 0.542
59 HA ASP 8 HA ASP 8 -4.134 -3.108 0.104
60 HB2 ASP 8 1HB ASP 8 -6.373 -2.778 -1.006
61 HB3 ASP 8 2HB ASP 8 -5.657 -1.684 -2.153
62 HD2 ASP 8 HD2 ASP 8 -5.133 -5.690 -2.372
63 H ARG 9 H ARG 9 -4.254 0.113 -1.446
64 HA ARG 9 HA ARG 9 -1.702 -0.047 -2.861
65 HB2 ARG 9 2HB ARG 9 -3.263 2.481 -2.034
66 HB3 ARG 9 1HB ARG 9 -1.838 2.526 -3.046
67 HG2 ARG 9 1HG ARG 9 -4.474 1.121 -3.797
68 HG3 ARG 9 2HG ARG 9 -4.013 2.727 -4.304
69 HD2 ARG 9 2HD ARG 9 -2.531 0.128 -5.078
70 HD3 ARG 9 1HD ARG 9 -3.704 0.983 -6.079
71 HH11 ARG 9 2HH2 ARG 9 -1.891 -0.124 -7.270
72 HH12 ARG 9 1HH2 ARG 9 -0.512 0.404 -8.359
73 HH21 ARG 9 1HH1 ARG 9 -0.095 3.418 -6.743
74 HH22 ARG 9 2HH1 ARG 9 0.436 2.277 -8.078
75 H ILE 10 H ILE 10 -2.498 1.773 0.165
76 HA ILE 10 HA ILE 10 0.102 2.580 0.910
77 HB ILE 10 HB ILE 10 -2.407 1.786 2.360
78 HG12 ILE 10 2HG1 ILE 10 -1.091 4.542 2.055
79 HG13 ILE 10 1HG1 ILE 10 -2.214 3.885 0.887
80 HG21 ILE 10 1HG2 ILE 10 -0.824 1.302 4.089
81 HG22 ILE 10 2HG2 ILE 10 -1.760 2.737 4.496
82 HG23 ILE 10 3HG2 ILE 10 -0.068 2.921 3.917
83 HD11 ILE 10 3HD1 ILE 10 -3.547 5.301 2.215
84 HD12 ILE 10 1HD1 ILE 10 -2.940 4.600 3.754
85 HD13 ILE 10 2HD1 ILE 10 -3.991 3.642 2.680
86 H GLY 11 H GLY 11 -1.394 -0.497 1.572
87 HA2 GLY 11 2HA GLY 11 0.630 -1.815 3.095
88 HA3 GLY 11 1HA GLY 11 -0.513 -2.676 2.019
89 H LYS 12 H LYS 12 0.554 -1.361 -0.355
90 HA LYS 12 HA LYS 12 3.408 -2.244 -0.591
91 HB2 LYS 12 2HB LYS 12 1.227 -3.303 -2.538
92 HB3 LYS 12 1HB LYS 12 2.956 -3.446 -2.817
93 HG2 LYS 12 1HG LYS 12 3.190 -4.826 -0.699
94 HG3 LYS 12 2HG LYS 12 1.437 -4.794 -0.511
95 HD2 LYS 12 2HD LYS 12 1.161 -5.904 -2.753
96 HD3 LYS 12 1HD LYS 12 2.902 -5.942 -2.983
97 HE2 LYS 12 2HE LYS 12 1.402 -7.381 -0.681
98 HE3 LYS 12 1HE LYS 12 1.865 -8.136 -2.204
99 HZ1 LYS 12 2HZ LYS 12 3.779 -6.963 -0.267
100 HZ3 LYS 12 1HZ LYS 12 4.189 -7.667 -1.684
101 H ASP 13 H ASP 13 2.533 0.278 -0.341
102 HA ASP 13 HA ASP 13 3.833 1.483 -2.758
103 HB2 ASP 13 1HB ASP 13 1.252 1.989 -2.405
104 HB3 ASP 13 2HB ASP 13 1.789 2.922 -1.063
105 HD2 ASP 13 HD2 ASP 13 2.990 4.663 -1.372
106 H VAL 14 H VAL 14 3.063 1.973 0.673
107 HA VAL 14 HA VAL 14 5.940 2.861 0.883
108 HB VAL 14 HB VAL 14 5.622 4.249 2.734
109 HG11 VAL 14 3HG2 VAL 14 3.798 5.062 0.400
110 HG12 VAL 14 1HG2 VAL 14 5.572 5.159 0.431
111 HG13 VAL 14 2HG2 VAL 14 4.608 6.182 1.544
112 HG21 VAL 14 1HG1 VAL 14 3.316 5.011 3.518
113 HG22 VAL 14 2HG1 VAL 14 2.562 3.823 2.408
114 HG23 VAL 14 3HG1 VAL 14 3.539 3.263 3.780
115 H TYR 15 H TYR 15 5.172 0.746 0.649
116 HA TYR 15 HA TYR 15 6.715 -0.794 2.733
117 HB2 TYR 15 2HB TYR 15 4.352 -1.538 3.048
118 HB3 TYR 15 1HB TYR 15 4.219 -1.838 1.331
119 HD1 TYR 15 HD1 TYR 15 6.057 -2.948 4.425
120 HD2 TYR 15 HD2 TYR 15 5.087 -3.945 0.357
121 HE1 TYR 15 HE1 TYR 15 7.090 -5.149 4.718
122 HE2 TYR 15 HE2 TYR 15 6.115 -6.145 0.653
123 HH TYR 15 HH TYR 15 7.202 -7.513 2.035
124 H ASP 16 H ASP 16 5.600 -0.402 -0.661
125 HA ASP 16 HA ASP 16 7.808 -2.115 -1.702
126 HB2 ASP 16 1HB ASP 16 5.579 -2.052 -2.927
127 HB3 ASP 16 2HB ASP 16 5.932 -0.376 -3.293
128 HD2 ASP 16 HD2 ASP 16 7.778 -3.422 -5.233
129 H LYS 17 H LYS 17 7.124 1.379 -1.291
130 HA LYS 17 HA LYS 17 9.706 2.192 -2.509
131 HB2 LYS 17 1HB LYS 17 7.671 3.768 -0.818
132 HB3 LYS 17 2HB LYS 17 9.127 4.476 -1.490
133 HG2 LYS 17 2HG LYS 17 8.389 4.128 -3.804
134 HG3 LYS 17 1HG LYS 17 7.002 3.171 -3.293
135 HD2 LYS 17 2HD LYS 17 6.064 5.182 -2.055
136 HD3 LYS 17 1HD LYS 17 7.421 6.154 -2.638
137 HE2 LYS 17 2HE LYS 17 6.698 5.702 -5.041
138 HE3 LYS 17 1HE LYS 17 5.347 4.724 -4.447
139 HZ1 LYS 17 2HZ LYS 17 4.641 6.944 -4.930
140 HZ3 LYS 17 1HZ LYS 17 4.474 6.666 -3.328
141 H VAL 18 H VAL 18 8.786 0.772 0.373
142 HA VAL 18 HA VAL 18 10.826 2.001 2.161
143 HB VAL 18 HB VAL 18 8.468 0.289 2.905
144 HG11 VAL 18 1HG1 VAL 18 10.160 -0.686 4.244
145 HG12 VAL 18 2HG1 VAL 18 10.645 0.923 4.875
146 HG13 VAL 18 3HG1 VAL 18 9.018 0.239 5.226
147 HG21 VAL 18 3HG2 VAL 18 9.257 3.075 3.891
148 HG22 VAL 18 1HG2 VAL 18 7.799 2.155 4.356
149 HG23 VAL 18 2HG2 VAL 18 7.987 2.714 2.687
150 H LYS 19 H LYS 19 9.842 -1.211 1.041
151 HA LYS 19 HA LYS 19 12.251 -2.569 1.911
152 HB2 LYS 19 1HB LYS 19 9.958 -3.558 1.307
153 HB3 LYS 19 2HB LYS 19 10.355 -3.344 -0.393
154 HG2 LYS 19 2HG LYS 19 12.286 -4.963 -0.118
155 HG3 LYS 19 1HG LYS 19 11.955 -5.072 1.612
156 HD2 LYS 19 2HD LYS 19 9.621 -5.998 1.076
157 HD3 LYS 19 1HD LYS 19 10.005 -5.891 -0.634
158 HE2 LYS 19 1HE LYS 19 10.324 -8.187 -0.033
159 HE3 LYS 19 2HE LYS 19 11.940 -7.535 -0.294
160 HZ1 LYS 19 2HZ LYS 19 11.854 -8.868 1.682
161 HZ3 LYS 19 1HZ LYS 19 12.183 -7.324 2.108
162 H GLU 20 H GLU 20 11.989 -0.238 -0.545
163 HA GLU 20 HA GLU 20 14.052 -1.347 -2.365
164 HB2 GLU 20 2HB GLU 20 11.933 -0.560 -3.386
165 HB3 GLU 20 1HB GLU 20 12.248 1.014 -2.705
166 HG2 GLU 20 2HG GLU 20 12.805 1.097 -5.040
167 HG3 GLU 20 1HG GLU 20 14.292 1.287 -4.125
168 HE2 GLU 20 HE2 GLU 20 15.731 -0.244 -4.159
169 HN1 NH2 21 2HN NH2 21 14.321 1.256 0.211
170 HN2 NH2 21 1HN NH2 21 13.559 1.959 -1.223
Start of MODEL 2
1 H1 ACE 1 3HA ACE 1 -12.507 -2.960 -4.052
2 H2 ACE 1 1HA ACE 1 -13.372 -1.454 -3.687
3 H3 ACE 1 2HA ACE 1 -11.699 -1.695 -3.103
4 H GLU 1 H GLU 1 -14.371 -2.769 -0.401
5 HA GLU 1 HA GLU 1 -14.638 -0.512 -2.033
6 HB2 GLU 1 1HB GLU 1 -14.995 -0.728 1.005
7 HB3 GLU 1 2HB GLU 1 -15.598 0.549 0.006
8 HG2 GLU 1 1HG GLU 1 -17.478 -0.658 0.283
9 HG3 GLU 1 2HG GLU 1 -16.986 -1.019 -1.360
10 HE2 GLU 1 HE2 GLU 1 -16.870 -4.416 -0.834
11 H SER 2 H SER 2 -14.289 1.684 -0.371
12 HA SER 2 HA SER 2 -11.823 2.827 -1.153
13 HB2 SER 2 1HB SER 2 -13.915 4.027 -0.339
14 HB3 SER 2 2HB SER 2 -13.324 3.749 1.276
15 HG SER 2 HG SER 2 -12.665 5.751 0.439
16 H ALA 3 H ALA 3 -12.584 1.629 2.024
17 HA ALA 3 HA ALA 3 -9.732 1.845 2.928
18 HB1 ALA 3 3HB ALA 3 -11.660 2.271 4.545
19 HB2 ALA 3 1HB ALA 3 -12.133 0.548 4.406
20 HB3 ALA 3 2HB ALA 3 -10.574 0.993 5.157
21 H LYS 4 H LYS 4 -10.657 -0.011 1.002
22 HA LYS 4 HA LYS 4 -8.631 -2.106 1.451
23 HB2 LYS 4 1HB LYS 4 -11.470 -2.729 0.369
24 HB3 LYS 4 2HB LYS 4 -10.155 -3.887 0.261
25 HG2 LYS 4 1HG LYS 4 -9.997 -3.982 2.779
26 HG3 LYS 4 2HG LYS 4 -11.352 -2.857 2.903
27 HD2 LYS 4 1HD LYS 4 -12.833 -4.481 1.651
28 HD3 LYS 4 2HD LYS 4 -11.484 -5.618 1.531
29 HE2 LYS 4 2HE LYS 4 -11.374 -5.759 4.070
30 HE3 LYS 4 1HE LYS 4 -12.725 -4.621 4.191
31 HZ1 LYS 4 2HZ LYS 4 -12.811 -7.286 2.888
32 HZ3 LYS 4 1HZ LYS 4 -13.437 -6.913 4.351
33 H HIS 5 H HIS 5 -9.360 0.231 -0.274
34 HA HIS 5 HA HIS 5 -7.639 -0.531 -2.614
35 HB2 HIS 5 2HB HIS 5 -10.050 0.198 -3.207
36 HB3 HIS 5 1HB HIS 5 -9.722 1.769 -2.486
37 HD2 HIS 5 HD2 HIS 5 -7.665 -0.501 -5.007
38 HE1 HIS 5 HE1 HIS 5 -7.937 3.281 -6.718
39 HE2 HIS 5 HE2 HIS 5 -6.955 0.937 -7.122
40 H MET 6 H MET 6 -8.098 1.791 0.023
41 HA MET 6 HA MET 6 -5.657 3.326 -0.701
42 HB2 MET 6 2HB MET 6 -6.088 4.728 1.294
43 HB3 MET 6 1HB MET 6 -7.482 4.766 0.218
44 HG2 MET 6 2HG MET 6 -8.887 3.714 1.780
45 HG3 MET 6 1HG MET 6 -7.572 2.878 2.594
46 HE1 MET 6 3HE MET 6 -8.429 6.743 1.617
47 HE2 MET 6 1HE MET 6 -9.835 6.025 2.464
48 HE3 MET 6 2HE MET 6 -8.867 7.301 3.258
49 H PHE 7 H PHE 7 -6.907 1.035 1.737
50 HA PHE 7 HA PHE 7 -4.342 0.665 3.092
51 HB2 PHE 7 2HB PHE 7 -7.072 -0.600 3.052
52 HB3 PHE 7 1HB PHE 7 -5.843 -1.659 3.642
53 HD1 PHE 7 HD2 PHE 7 -4.513 -0.980 5.739
54 HD2 PHE 7 HD1 PHE 7 -7.861 1.340 4.349
55 HE1 PHE 7 HE2 PHE 7 -4.624 0.159 7.893
56 HE2 PHE 7 HE1 PHE 7 -7.971 2.477 6.495
57 HZ PHE 7 HZ PHE 7 -6.357 1.901 8.309
58 H ASP 8 H ASP 8 -5.981 -1.056 0.490
59 HA ASP 8 HA ASP 8 -4.068 -3.143 -0.022
60 HB2 ASP 8 2HB ASP 8 -6.319 -2.805 -1.130
61 HB3 ASP 8 1HB ASP 8 -5.617 -1.661 -2.232
62 HD2 ASP 8 HD2 ASP 8 -5.032 -5.650 -2.594
63 H ARG 9 H ARG 9 -4.236 0.131 -1.456
64 HA ARG 9 HA ARG 9 -1.673 0.051 -2.868
65 HB2 ARG 9 2HB ARG 9 -3.405 2.453 -2.014
66 HB3 ARG 9 1HB ARG 9 -1.853 2.674 -2.808
67 HG2 ARG 9 2HG ARG 9 -2.575 1.420 -4.809
68 HG3 ARG 9 1HG ARG 9 -4.133 1.034 -4.079
69 HD2 ARG 9 2HD ARG 9 -4.801 3.430 -4.039
70 HD3 ARG 9 1HD ARG 9 -3.187 3.934 -4.574
71 HH11 ARG 9 2HH1 ARG 9 -4.783 5.403 -5.421
72 HH12 ARG 9 1HH1 ARG 9 -5.408 5.886 -7.077
73 HH21 ARG 9 1HH2 ARG 9 -4.988 2.736 -8.402
74 HH22 ARG 9 2HH2 ARG 9 -5.516 4.476 -8.650
75 H ILE 10 H ILE 10 -2.497 1.757 0.215
76 HA ILE 10 HA ILE 10 0.092 2.554 0.999
77 HB ILE 10 HB ILE 10 -2.413 1.688 2.412
78 HG12 ILE 10 2HG1 ILE 10 -1.113 4.461 2.216
79 HG13 ILE 10 1HG1 ILE 10 -2.226 3.842 1.020
80 HG21 ILE 10 1HG2 ILE 10 -0.834 1.148 4.127
81 HG22 ILE 10 2HG2 ILE 10 -1.779 2.561 4.585
82 HG23 ILE 10 3HG2 ILE 10 -0.086 2.776 4.019
83 HD11 ILE 10 3HD1 ILE 10 -4.010 3.521 2.798
84 HD12 ILE 10 1HD1 ILE 10 -3.575 5.198 2.393
85 HD13 ILE 10 2HD1 ILE 10 -2.969 4.447 3.908
86 H GLY 11 H GLY 11 -1.380 -0.558 1.542
87 HA2 GLY 11 1HA GLY 11 0.653 -1.924 3.013
88 HA3 GLY 11 2HA GLY 11 -0.493 -2.744 1.908
89 H LYS 12 H LYS 12 0.599 -1.304 -0.394
90 HA LYS 12 HA LYS 12 3.448 -2.172 -0.648
91 HB2 LYS 12 1HB LYS 12 1.826 -4.116 -1.409
92 HB3 LYS 12 2HB LYS 12 1.381 -3.093 -2.768
93 HG2 LYS 12 2HG LYS 12 3.815 -3.131 -3.544
94 HG3 LYS 12 1HG LYS 12 4.247 -4.054 -2.114
95 HD2 LYS 12 2HD LYS 12 4.123 -5.623 -3.920
96 HD3 LYS 12 1HD LYS 12 2.768 -5.949 -2.864
97 HE2 LYS 12 2HE LYS 12 1.983 -6.167 -5.141
98 HE3 LYS 12 1HE LYS 12 1.213 -4.726 -4.488
99 HZ1 LYS 12 2HZ LYS 12 2.070 -4.393 -6.713
100 HZ3 LYS 12 1HZ LYS 12 3.592 -4.789 -6.269
101 H ASP 13 H ASP 13 2.542 0.333 -0.330
102 HA ASP 13 HA ASP 13 3.887 1.648 -2.664
103 HB2 ASP 13 1HB ASP 13 1.272 2.095 -2.334
104 HB3 ASP 13 2HB ASP 13 1.785 2.992 -0.961
105 HD2 ASP 13 HD2 ASP 13 1.873 2.742 -4.307
106 H VAL 14 H VAL 14 3.038 1.997 0.764
107 HA VAL 14 HA VAL 14 5.895 2.916 1.077
108 HB VAL 14 HB VAL 14 5.502 4.252 2.963
109 HG11 VAL 14 3HG2 VAL 14 5.490 5.227 0.682
110 HG12 VAL 14 1HG2 VAL 14 3.719 5.106 0.612
111 HG13 VAL 14 2HG2 VAL 14 4.489 6.202 1.806
112 HG21 VAL 14 1HG1 VAL 14 3.417 3.192 3.923
113 HG22 VAL 14 2HG1 VAL 14 3.171 4.945 3.718
114 HG23 VAL 14 3HG1 VAL 14 2.460 3.788 2.550
115 H TYR 15 H TYR 15 5.108 0.790 0.761
116 HA TYR 15 HA TYR 15 6.595 -0.804 2.839
117 HB2 TYR 15 1HB TYR 15 4.222 -1.571 3.054
118 HB3 TYR 15 2HB TYR 15 4.181 -1.868 1.331
119 HD1 TYR 15 HD2 TYR 15 6.024 -2.890 4.469
120 HD2 TYR 15 HD1 TYR 15 5.012 -4.008 0.441
121 HE1 TYR 15 HE2 TYR 15 7.069 -5.081 4.813
122 HE2 TYR 15 HE1 TYR 15 6.057 -6.197 0.792
123 HH TYR 15 HH TYR 15 7.592 -7.045 3.903
124 H ASP 16 H ASP 16 5.628 -0.316 -0.568
125 HA ASP 16 HA ASP 16 7.969 -1.952 -1.454
126 HB2 ASP 16 2HB ASP 16 5.750 -2.021 -2.797
127 HB3 ASP 16 1HB ASP 16 6.122 -0.370 -3.246
128 HD2 ASP 16 HD2 ASP 16 7.101 -3.598 -3.388
129 H LYS 17 H LYS 17 7.139 1.494 -1.072
130 HA LYS 17 HA LYS 17 9.663 2.368 -2.285
131 HB2 LYS 17 2HB LYS 17 7.588 3.813 -2.068
132 HB3 LYS 17 1HB LYS 17 7.816 3.871 -0.323
133 HG2 LYS 17 1HG LYS 17 10.032 5.061 -0.679
134 HG3 LYS 17 2HG LYS 17 9.812 4.941 -2.426
135 HD2 LYS 17 1HD LYS 17 7.676 6.334 -2.230
136 HD3 LYS 17 2HD LYS 17 7.913 6.417 -0.492
137 HE2 LYS 17 2HE LYS 17 8.690 8.510 -1.367
138 HE3 LYS 17 1HE LYS 17 10.131 7.637 -0.853
139 HZ1 LYS 17 2HZ LYS 17 9.125 7.878 -3.641
140 HZ3 LYS 17 1HZ LYS 17 10.396 8.685 -3.006
141 H VAL 18 H VAL 18 8.879 0.918 0.841
142 HA VAL 18 HA VAL 18 11.273 2.018 2.164
143 HB VAL 18 HB VAL 18 10.663 1.224 4.142
144 HG11 VAL 18 1HG1 VAL 18 8.383 2.111 4.728
145 HG12 VAL 18 2HG1 VAL 18 7.941 2.046 3.008
146 HG13 VAL 18 3HG1 VAL 18 9.207 3.166 3.553
147 HG21 VAL 18 3HG2 VAL 18 10.096 -1.037 4.040
148 HG22 VAL 18 1HG2 VAL 18 8.704 -0.256 4.809
149 HG23 VAL 18 2HG2 VAL 18 8.644 -0.723 3.089
150 H LYS 19 H LYS 19 9.953 -1.112 1.397
151 HA LYS 19 HA LYS 19 12.364 -2.652 1.811
152 HB2 LYS 19 1HB LYS 19 10.056 -3.239 -0.137
153 HB3 LYS 19 2HB LYS 19 11.319 -4.391 0.203
154 HG2 LYS 19 2HG LYS 19 9.399 -3.277 2.337
155 HG3 LYS 19 1HG LYS 19 9.149 -4.763 1.456
156 HD2 LYS 19 1HD LYS 19 11.537 -4.231 3.339
157 HD3 LYS 19 2HD LYS 19 10.039 -5.028 3.796
158 HE2 LYS 19 1HE LYS 19 10.471 -6.871 2.098
159 HE3 LYS 19 2HE LYS 19 12.006 -6.104 1.663
160 HZ1 LYS 19 2HZ LYS 19 11.279 -7.128 4.350
161 HZ3 LYS 19 1HZ LYS 19 12.284 -7.854 3.285
162 H GLU 20 H GLU 20 11.944 -0.320 -0.596
163 HA GLU 20 HA GLU 20 13.789 -1.528 -2.586
164 HB2 GLU 20 2HB GLU 20 11.646 -0.704 -3.435
165 HB3 GLU 20 1HB GLU 20 12.026 0.889 -2.816
166 HG2 GLU 20 2HG GLU 20 13.968 1.078 -4.412
167 HG3 GLU 20 1HG GLU 20 13.661 -0.558 -4.997
168 HE2 GLU 20 HE2 GLU 20 11.873 -0.953 -6.095
169 HN1 NH2 21 2HN NH2 21 14.378 1.123 -0.108
170 HN2 NH2 21 1HN NH2 21 13.520 1.817 -1.491
Start of MODEL 3
1 H1 ACE 1 3HA ACE 1 -12.419 -3.635 -3.396
2 H2 ACE 1 1HA ACE 1 -13.332 -2.113 -3.450
3 H3 ACE 1 2HA ACE 1 -11.725 -2.175 -2.662
4 H GLU 1 H GLU 1 -14.586 -2.662 -0.065
5 HA GLU 1 HA GLU 1 -14.510 -0.688 -2.075
6 HB2 GLU 1 2HB GLU 1 -15.326 -0.564 0.876
7 HB3 GLU 1 1HB GLU 1 -15.646 0.694 -0.291
8 HG2 GLU 1 1HG GLU 1 -17.649 -0.381 -0.243
9 HG3 GLU 1 2HG GLU 1 -16.931 -0.876 -1.762
10 HE2 GLU 1 HE2 GLU 1 -17.585 -3.513 1.279
11 H SER 2 H SER 2 -14.230 1.657 -0.454
12 HA SER 2 HA SER 2 -11.714 2.761 -1.087
13 HB2 SER 2 1HB SER 2 -13.832 3.950 -0.297
14 HB3 SER 2 2HB SER 2 -13.278 3.631 1.322
15 HG SER 2 HG SER 2 -12.591 5.650 0.545
16 H ALA 3 H ALA 3 -12.610 1.398 1.980
17 HA ALA 3 HA ALA 3 -9.850 1.602 3.067
18 HB1 ALA 3 3HB ALA 3 -12.263 0.081 4.276
19 HB2 ALA 3 1HB ALA 3 -10.784 0.544 5.167
20 HB3 ALA 3 2HB ALA 3 -11.898 1.809 4.579
21 H LYS 4 H LYS 4 -10.571 -0.154 0.967
22 HA LYS 4 HA LYS 4 -8.421 -2.122 1.332
23 HB2 LYS 4 1HB LYS 4 -11.231 -2.949 0.315
24 HB3 LYS 4 2HB LYS 4 -9.826 -3.985 0.108
25 HG2 LYS 4 2HG LYS 4 -9.562 -4.170 2.614
26 HG3 LYS 4 1HG LYS 4 -11.010 -3.182 2.833
27 HD2 LYS 4 2HD LYS 4 -12.384 -4.881 1.566
28 HD3 LYS 4 1HD LYS 4 -10.944 -5.881 1.340
29 HE2 LYS 4 1HE LYS 4 -10.715 -6.123 3.864
30 HE3 LYS 4 2HE LYS 4 -12.157 -5.122 4.090
31 HZ1 LYS 4 2HZ LYS 4 -12.086 -7.696 2.612
32 HZ3 LYS 4 1HZ LYS 4 -13.418 -6.771 2.821
33 H HIS 5 H HIS 5 -9.296 0.204 -0.251
34 HA HIS 5 HA HIS 5 -7.650 -0.378 -2.706
35 HB2 HIS 5 1HB HIS 5 -9.865 1.761 -2.292
36 HB3 HIS 5 2HB HIS 5 -8.733 1.857 -3.624
37 HD2 HIS 5 HD2 HIS 5 -8.698 -1.242 -4.610
38 HE1 HIS 5 HE1 HIS 5 -12.639 -0.382 -5.623
39 HE2 HIS 5 HE2 HIS 5 -10.711 -1.998 -6.161
40 H MET 6 H MET 6 -8.154 2.004 -0.070
41 HA MET 6 HA MET 6 -5.658 3.443 -0.771
42 HB2 MET 6 2HB MET 6 -7.248 3.831 1.855
43 HB3 MET 6 1HB MET 6 -6.081 4.915 1.122
44 HG2 MET 6 2HG MET 6 -8.024 4.800 -0.888
45 HG3 MET 6 1HG MET 6 -9.019 4.567 0.544
46 HE1 MET 6 3HE MET 6 -9.395 8.469 -0.278
47 HE2 MET 6 1HE MET 6 -10.286 6.939 -0.034
48 HE3 MET 6 2HE MET 6 -9.202 7.130 -1.448
49 H PHE 7 H PHE 7 -6.901 1.132 1.666
50 HA PHE 7 HA PHE 7 -4.327 0.800 3.031
51 HB2 PHE 7 1HB PHE 7 -7.017 -0.570 2.980
52 HB3 PHE 7 2HB PHE 7 -5.748 -1.530 3.639
53 HD1 PHE 7 HD1 PHE 7 -4.570 -0.758 5.772
54 HD2 PHE 7 HD2 PHE 7 -7.907 1.424 4.154
55 HE1 PHE 7 HE1 PHE 7 -4.825 0.430 7.888
56 HE2 PHE 7 HE2 PHE 7 -8.166 2.604 6.266
57 HZ PHE 7 HZ PHE 7 -6.630 2.123 8.172
58 H ASP 8 H ASP 8 -5.972 -0.869 0.394
59 HA ASP 8 HA ASP 8 -4.074 -2.991 -0.105
60 HB2 ASP 8 2HB ASP 8 -6.281 -2.684 -1.233
61 HB3 ASP 8 1HB ASP 8 -5.609 -1.503 -2.317
62 HD2 ASP 8 HD2 ASP 8 -4.031 -3.802 -4.360
63 H ARG 9 H ARG 9 -4.226 0.272 -1.565
64 HA ARG 9 HA ARG 9 -1.658 0.206 -2.956
65 HB2 ARG 9 1HB ARG 9 -3.337 2.625 -2.046
66 HB3 ARG 9 2HB ARG 9 -1.831 2.813 -2.930
67 HG2 ARG 9 2HG ARG 9 -2.697 1.617 -4.899
68 HG3 ARG 9 1HG ARG 9 -4.182 1.177 -4.060
69 HD2 ARG 9 2HD ARG 9 -4.807 3.626 -3.844
70 HD3 ARG 9 1HD ARG 9 -3.321 4.077 -4.702
71 HH11 ARG 9 1HH2 ARG 9 -5.139 5.518 -5.217
72 HH12 ARG 9 2HH2 ARG 9 -6.132 5.939 -6.702
73 HH21 ARG 9 1HH1 ARG 9 -5.906 2.768 -8.028
74 HH22 ARG 9 2HH1 ARG 9 -6.536 4.485 -8.185
75 H ILE 10 H ILE 10 -2.486 1.879 0.140
76 HA ILE 10 HA ILE 10 0.109 2.678 0.922
77 HB ILE 10 HB ILE 10 -2.398 1.816 2.338
78 HG12 ILE 10 2HG1 ILE 10 -1.098 4.589 2.131
79 HG13 ILE 10 1HG1 ILE 10 -2.215 3.967 0.940
80 HG21 ILE 10 1HG2 ILE 10 -0.810 1.281 4.050
81 HG22 ILE 10 2HG2 ILE 10 -0.067 2.912 3.936
82 HG23 ILE 10 3HG2 ILE 10 -1.758 2.694 4.508
83 HD11 ILE 10 3HD1 ILE 10 -3.555 5.331 2.314
84 HD12 ILE 10 1HD1 ILE 10 -2.952 4.574 3.828
85 HD13 ILE 10 2HD1 ILE 10 -3.996 3.654 2.715
86 H GLY 11 H GLY 11 -1.375 -0.431 1.477
87 HA2 GLY 11 2HA GLY 11 0.686 -1.796 2.919
88 HA3 GLY 11 1HA GLY 11 -0.492 -2.613 1.845
89 H LYS 12 H LYS 12 0.593 -1.158 -0.466
90 HA LYS 12 HA LYS 12 3.413 -2.091 -0.790
91 HB2 LYS 12 1HB LYS 12 3.003 -3.334 -2.907
92 HB3 LYS 12 2HB LYS 12 2.128 -4.057 -1.575
93 HG2 LYS 12 2HG LYS 12 -0.004 -2.921 -2.356
94 HG3 LYS 12 1HG LYS 12 0.866 -2.217 -3.717
95 HD2 LYS 12 2HD LYS 12 1.388 -4.524 -4.588
96 HD3 LYS 12 1HD LYS 12 0.583 -5.248 -3.191
97 HE2 LYS 12 1HE LYS 12 -1.612 -4.160 -3.881
98 HE3 LYS 12 2HE LYS 12 -0.812 -3.440 -5.286
99 HZ1 LYS 12 2HZ LYS 12 -1.924 -5.459 -5.879
100 HZ3 LYS 12 1HZ LYS 12 -0.315 -5.653 -6.093
101 H ASP 13 H ASP 13 2.560 0.452 -0.424
102 HA ASP 13 HA ASP 13 3.920 1.748 -2.766
103 HB2 ASP 13 2HB ASP 13 1.325 2.271 -2.398
104 HB3 ASP 13 1HB ASP 13 1.883 3.142 -1.023
105 HD2 ASP 13 HD2 ASP 13 1.918 2.918 -4.371
106 H VAL 14 H VAL 14 3.126 2.090 0.673
107 HA VAL 14 HA VAL 14 6.014 2.904 0.959
108 HB VAL 14 HB VAL 14 5.703 4.235 2.850
109 HG11 VAL 14 1HG1 VAL 14 4.755 6.234 1.718
110 HG12 VAL 14 2HG1 VAL 14 3.926 5.176 0.528
111 HG13 VAL 14 3HG1 VAL 14 5.702 5.225 0.577
112 HG21 VAL 14 3HG2 VAL 14 3.405 5.027 3.630
113 HG22 VAL 14 1HG2 VAL 14 3.582 3.266 3.835
114 HG23 VAL 14 2HG2 VAL 14 2.639 3.898 2.470
115 H TYR 15 H TYR 15 5.179 0.818 0.632
116 HA TYR 15 HA TYR 15 6.632 -0.846 2.688
117 HB2 TYR 15 1HB TYR 15 4.246 -1.542 2.929
118 HB3 TYR 15 2HB TYR 15 4.138 -1.781 1.201
119 HD1 TYR 15 HD2 TYR 15 5.929 -3.017 4.278
120 HD2 TYR 15 HD1 TYR 15 4.948 -3.891 0.183
121 HE1 TYR 15 HE2 TYR 15 6.916 -5.248 4.516
122 HE2 TYR 15 HE1 TYR 15 5.940 -6.115 0.424
123 HH TYR 15 HH TYR 15 6.997 -7.537 1.772
124 H ASP 16 H ASP 16 5.613 -0.277 -0.717
125 HA ASP 16 HA ASP 16 7.780 -2.024 -1.775
126 HB2 ASP 16 1HB ASP 16 5.595 -1.839 -3.047
127 HB3 ASP 16 2HB ASP 16 5.998 -0.160 -3.335
128 HD2 ASP 16 HD2 ASP 16 7.472 0.329 -4.740
129 H LYS 17 H LYS 17 7.198 1.480 -1.256
130 HA LYS 17 HA LYS 17 9.837 2.228 -2.368
131 HB2 LYS 17 2HB LYS 17 7.800 3.752 -2.369
132 HB3 LYS 17 1HB LYS 17 7.906 3.870 -0.616
133 HG2 LYS 17 1HG LYS 17 10.192 4.952 -0.850
134 HG3 LYS 17 2HG LYS 17 10.098 4.767 -2.603
135 HD2 LYS 17 1HD LYS 17 8.018 6.255 -2.626
136 HD3 LYS 17 2HD LYS 17 8.128 6.403 -0.880
137 HE2 LYS 17 1HE LYS 17 9.062 8.422 -1.775
138 HE3 LYS 17 2HE LYS 17 10.419 7.511 -1.117
139 HZ1 LYS 17 2HZ LYS 17 10.902 6.756 -3.396
140 HZ3 LYS 17 1HZ LYS 17 9.637 7.608 -3.986
141 H VAL 18 H VAL 18 8.803 0.741 0.444
142 HA VAL 18 HA VAL 18 10.852 1.807 2.324
143 HB VAL 18 HB VAL 18 8.417 0.157 2.946
144 HG11 VAL 18 1HG1 VAL 18 8.917 -0.018 5.272
145 HG12 VAL 18 2HG1 VAL 18 10.577 0.616 4.981
146 HG13 VAL 18 3HG1 VAL 18 10.042 -0.943 4.270
147 HG21 VAL 18 3HG2 VAL 18 8.033 2.605 2.830
148 HG22 VAL 18 1HG2 VAL 18 9.293 2.863 4.069
149 HG23 VAL 18 2HG2 VAL 18 7.793 1.982 4.469
150 H LYS 19 H LYS 19 9.776 -1.316 1.048
151 HA LYS 19 HA LYS 19 12.116 -2.796 1.903
152 HB2 LYS 19 1HB LYS 19 9.800 -3.673 1.218
153 HB3 LYS 19 2HB LYS 19 10.239 -3.406 -0.465
154 HG2 LYS 19 2HG LYS 19 12.104 -5.106 -0.219
155 HG3 LYS 19 1HG LYS 19 11.732 -5.272 1.499
156 HD2 LYS 19 1HD LYS 19 9.377 -6.086 0.879
157 HD3 LYS 19 2HD LYS 19 9.802 -5.926 -0.818
158 HE2 LYS 19 1HE LYS 19 10.023 -8.255 -0.303
159 HE3 LYS 19 2HE LYS 19 11.667 -7.655 -0.504
160 HZ1 LYS 19 2HZ LYS 19 11.865 -7.549 1.909
161 HZ3 LYS 19 1HZ LYS 19 11.489 -9.061 1.415
162 H GLU 20 H GLU 20 11.993 -0.359 -0.448
163 HA GLU 20 HA GLU 20 14.053 -1.473 -2.268
164 HB2 GLU 20 2HB GLU 20 11.984 -0.584 -3.302
165 HB3 GLU 20 1HB GLU 20 12.340 0.969 -2.578
166 HG2 GLU 20 1HG GLU 20 14.439 1.178 -3.960
167 HG3 GLU 20 2HG GLU 20 14.151 -0.421 -4.647
168 HE2 GLU 20 HE2 GLU 20 12.079 2.833 -5.869
169 HN1 NH2 21 2HN NH2 21 14.352 1.044 0.397
170 HN2 NH2 21 1HN NH2 21 13.619 1.803 -1.025
Start of MODEL 4
1 H1 ACE 1 3HA ACE 1 -14.006 -4.611 -1.966
2 H2 ACE 1 1HA ACE 1 -12.352 -4.609 -2.626
3 H3 ACE 1 2HA ACE 1 -12.602 -4.480 -0.869
4 H GLU 1 H GLU 1 -14.392 -2.626 -0.525
5 HA GLU 1 HA GLU 1 -14.455 -0.327 -2.112
6 HB2 GLU 1 1HB GLU 1 -15.067 -0.603 0.890
7 HB3 GLU 1 2HB GLU 1 -15.535 0.731 -0.106
8 HG2 GLU 1 1HG GLU 1 -17.476 -0.415 -0.013
9 HG3 GLU 1 2HG GLU 1 -16.875 -0.714 -1.632
10 HE2 GLU 1 HE2 GLU 1 -16.904 -4.135 -1.279
11 H SER 2 H SER 2 -14.155 1.822 -0.319
12 HA SER 2 HA SER 2 -11.617 2.911 -0.929
13 HB2 SER 2 2HB SER 2 -13.720 4.126 -0.140
14 HB3 SER 2 1HB SER 2 -13.188 3.769 1.478
15 HG SER 2 HG SER 2 -12.457 5.788 0.744
16 H ALA 3 H ALA 3 -12.555 1.540 2.122
17 HA ALA 3 HA ALA 3 -9.776 1.665 3.174
18 HB1 ALA 3 3HB ALA 3 -12.223 0.244 4.437
19 HB2 ALA 3 1HB ALA 3 -11.791 1.961 4.717
20 HB3 ALA 3 2HB ALA 3 -10.715 0.662 5.302
21 H LYS 4 H LYS 4 -10.610 -0.104 1.108
22 HA LYS 4 HA LYS 4 -8.509 -2.128 1.498
23 HB2 LYS 4 1HB LYS 4 -11.369 -2.862 0.521
24 HB3 LYS 4 2HB LYS 4 -10.011 -3.961 0.318
25 HG2 LYS 4 1HG LYS 4 -9.719 -4.108 2.824
26 HG3 LYS 4 2HG LYS 4 -11.124 -3.062 3.041
27 HD2 LYS 4 1HD LYS 4 -12.576 -4.756 1.810
28 HD3 LYS 4 2HD LYS 4 -11.167 -5.783 1.596
29 HE2 LYS 4 1HE LYS 4 -12.385 -6.709 3.442
30 HE3 LYS 4 2HE LYS 4 -10.932 -5.991 4.133
31 HZ1 LYS 4 2HZ LYS 4 -12.917 -5.481 5.401
32 HZ3 LYS 4 1HZ LYS 4 -13.651 -4.785 4.117
33 H HIS 5 H HIS 5 -9.279 0.200 -0.134
34 HA HIS 5 HA HIS 5 -7.698 -0.558 -2.580
35 HB2 HIS 5 2HB HIS 5 -10.118 0.139 -3.100
36 HB3 HIS 5 1HB HIS 5 -9.797 1.716 -2.384
37 HD2 HIS 5 HD2 HIS 5 -7.939 -0.559 -5.054
38 HE1 HIS 5 HE1 HIS 5 -8.052 3.298 -6.607
39 HE2 HIS 5 HE2 HIS 5 -7.241 0.917 -7.146
40 H MET 6 H MET 6 -8.138 1.922 -0.025
41 HA MET 6 HA MET 6 -5.650 3.326 -0.824
42 HB2 MET 6 1HB MET 6 -7.196 3.822 1.807
43 HB3 MET 6 2HB MET 6 -6.026 4.865 1.025
44 HG2 MET 6 1HG MET 6 -8.031 4.679 -0.954
45 HG3 MET 6 2HG MET 6 -8.970 4.546 0.520
46 HE1 MET 6 3HE MET 6 -5.757 6.699 -0.739
47 HE2 MET 6 1HE MET 6 -6.560 8.294 -0.822
48 HE3 MET 6 2HE MET 6 -7.122 6.959 -1.870
49 H PHE 7 H PHE 7 -6.885 1.095 1.695
50 HA PHE 7 HA PHE 7 -4.299 0.784 3.048
51 HB2 PHE 7 1HB PHE 7 -7.004 -0.554 3.074
52 HB3 PHE 7 2HB PHE 7 -5.743 -1.530 3.713
53 HD1 PHE 7 HD1 PHE 7 -4.500 -0.759 5.812
54 HD2 PHE 7 HD2 PHE 7 -7.829 1.472 4.244
55 HE1 PHE 7 HE1 PHE 7 -4.688 0.451 7.923
56 HE2 PHE 7 HE2 PHE 7 -8.021 2.675 6.352
57 HZ PHE 7 HZ PHE 7 -6.454 2.181 8.229
58 H ASP 8 H ASP 8 -5.996 -0.962 0.500
59 HA ASP 8 HA ASP 8 -4.131 -3.112 0.019
60 HB2 ASP 8 2HB ASP 8 -6.379 -2.780 -1.064
61 HB3 ASP 8 1HB ASP 8 -5.690 -1.651 -2.195
62 HD2 ASP 8 HD2 ASP 8 -5.487 -4.826 -0.964
63 H ARG 9 H ARG 9 -4.262 0.111 -1.514
64 HA ARG 9 HA ARG 9 -1.711 -0.046 -2.938
65 HB2 ARG 9 2HB ARG 9 -3.401 2.408 -2.145
66 HB3 ARG 9 1HB ARG 9 -1.866 2.575 -2.982
67 HG2 ARG 9 1HG ARG 9 -2.655 1.254 -4.916
68 HG3 ARG 9 2HG ARG 9 -4.200 0.921 -4.132
69 HD2 ARG 9 1HD ARG 9 -4.825 3.333 -4.165
70 HD3 ARG 9 2HD ARG 9 -3.221 3.781 -4.776
71 HH11 ARG 9 2HH1 ARG 9 -4.795 5.248 -5.641
72 HH12 ARG 9 1HH1 ARG 9 -5.466 5.671 -7.296
73 HH21 ARG 9 2HH2 ARG 9 -5.183 2.450 -8.482
74 HH22 ARG 9 1HH2 ARG 9 -5.670 4.191 -8.794
75 H ILE 10 H ILE 10 -2.489 1.761 0.099
76 HA ILE 10 HA ILE 10 0.117 2.566 0.823
77 HB ILE 10 HB ILE 10 -2.376 1.768 2.298
78 HG12 ILE 10 1HG1 ILE 10 -1.063 4.526 1.981
79 HG13 ILE 10 2HG1 ILE 10 -2.198 3.872 0.827
80 HG21 ILE 10 1HG2 ILE 10 -0.774 1.281 4.009
81 HG22 ILE 10 2HG2 ILE 10 -0.018 2.900 3.830
82 HG23 ILE 10 3HG2 ILE 10 -1.704 2.717 4.429
83 HD11 ILE 10 3HD1 ILE 10 -2.895 4.582 3.700
84 HD12 ILE 10 1HD1 ILE 10 -3.957 3.626 2.635
85 HD13 ILE 10 2HD1 ILE 10 -3.515 5.286 2.168
86 H GLY 11 H GLY 11 -1.376 -0.514 1.495
87 HA2 GLY 11 1HA GLY 11 0.671 -1.840 2.985
88 HA3 GLY 11 2HA GLY 11 -0.499 -2.693 1.932
89 H LYS 12 H LYS 12 0.568 -1.348 -0.437
90 HA LYS 12 HA LYS 12 3.411 -2.229 -0.702
91 HB2 LYS 12 2HB LYS 12 3.064 -3.588 -2.745
92 HB3 LYS 12 1HB LYS 12 2.214 -4.274 -1.378
93 HG2 LYS 12 1HG LYS 12 0.033 -3.325 -2.224
94 HG3 LYS 12 2HG LYS 12 0.864 -2.597 -3.598
95 HD2 LYS 12 1HD LYS 12 1.584 -4.864 -4.397
96 HD3 LYS 12 2HD LYS 12 0.820 -5.639 -3.018
97 HE2 LYS 12 2HE LYS 12 -0.703 -3.982 -5.152
98 HE3 LYS 12 1HE LYS 12 -0.503 -5.732 -5.202
99 HZ1 LYS 12 2HZ LYS 12 -1.861 -4.265 -3.013
100 HZ3 LYS 12 1HZ LYS 12 -1.664 -5.887 -3.078
101 H ASP 13 H ASP 13 2.536 0.288 -0.458
102 HA ASP 13 HA ASP 13 3.860 1.503 -2.859
103 HB2 ASP 13 2HB ASP 13 1.255 1.993 -2.509
104 HB3 ASP 13 1HB ASP 13 1.799 2.936 -1.179
105 HD2 ASP 13 HD2 ASP 13 1.832 2.558 -4.513
106 H VAL 14 H VAL 14 3.059 1.978 0.564
107 HA VAL 14 HA VAL 14 5.926 2.874 0.812
108 HB VAL 14 HB VAL 14 5.580 4.282 2.641
109 HG11 VAL 14 1HG1 VAL 14 4.585 6.205 1.420
110 HG12 VAL 14 2HG1 VAL 14 5.556 5.169 0.325
111 HG13 VAL 14 3HG1 VAL 14 3.782 5.076 0.280
112 HG21 VAL 14 3HG2 VAL 14 3.480 3.311 3.669
113 HG22 VAL 14 1HG2 VAL 14 2.524 3.854 2.274
114 HG23 VAL 14 2HG2 VAL 14 3.261 5.056 3.381
115 H TYR 15 H TYR 15 5.143 0.760 0.580
116 HA TYR 15 HA TYR 15 6.628 -0.792 2.710
117 HB2 TYR 15 2HB TYR 15 4.227 -1.468 2.963
118 HB3 TYR 15 1HB TYR 15 4.146 -1.811 1.253
119 HD1 TYR 15 HD1 TYR 15 5.877 -2.844 4.426
120 HD2 TYR 15 HD2 TYR 15 4.993 -3.975 0.373
121 HE1 TYR 15 HE1 TYR 15 6.783 -5.078 4.855
122 HE2 TYR 15 HE2 TYR 15 5.902 -6.206 0.802
123 HH TYR 15 HH TYR 15 7.219 -7.097 4.002
124 H ASP 16 H ASP 16 5.598 -0.396 -0.708
125 HA ASP 16 HA ASP 16 7.795 -2.151 -1.678
126 HB2 ASP 16 2HB ASP 16 5.603 -2.080 -2.952
127 HB3 ASP 16 1HB ASP 16 5.972 -0.410 -3.332
128 HD2 ASP 16 HD2 ASP 16 7.434 0.032 -4.764
129 H LYS 17 H LYS 17 7.132 1.360 -1.329
130 HA LYS 17 HA LYS 17 9.746 2.114 -2.493
131 HB2 LYS 17 2HB LYS 17 7.704 3.616 -2.602
132 HB3 LYS 17 1HB LYS 17 7.746 3.783 -0.857
133 HG2 LYS 17 2HG LYS 17 8.648 5.772 -1.845
134 HG3 LYS 17 1HG LYS 17 9.960 4.969 -1.003
135 HD2 LYS 17 2HD LYS 17 10.815 4.052 -3.200
136 HD3 LYS 17 1HD LYS 17 9.487 4.809 -4.065
137 HE2 LYS 17 2HE LYS 17 11.635 6.349 -2.439
138 HE3 LYS 17 1HE LYS 17 11.723 6.041 -4.172
139 HZ1 LYS 17 2HZ LYS 17 9.607 7.617 -2.823
140 HZ3 LYS 17 1HZ LYS 17 10.853 8.222 -3.691
141 H VAL 18 H VAL 18 8.752 0.751 0.389
142 HA VAL 18 HA VAL 18 10.756 1.979 2.217
143 HB VAL 18 HB VAL 18 8.384 0.268 2.914
144 HG11 VAL 18 3HG2 VAL 18 10.052 -0.726 4.271
145 HG12 VAL 18 1HG2 VAL 18 8.902 0.198 5.244
146 HG13 VAL 18 2HG2 VAL 18 10.538 0.875 4.919
147 HG21 VAL 18 1HG1 VAL 18 9.181 3.039 3.939
148 HG22 VAL 18 2HG1 VAL 18 7.929 2.704 2.711
149 HG23 VAL 18 3HG1 VAL 18 7.706 2.130 4.371
150 H LYS 19 H LYS 19 9.805 -1.234 1.075
151 HA LYS 19 HA LYS 19 12.190 -2.602 1.969
152 HB2 LYS 19 1HB LYS 19 10.015 -3.646 1.315
153 HB3 LYS 19 2HB LYS 19 10.289 -3.277 -0.371
154 HG2 LYS 19 2HG LYS 19 12.349 -4.982 1.158
155 HG3 LYS 19 1HG LYS 19 10.784 -5.681 0.786
156 HD2 LYS 19 1HD LYS 19 11.085 -5.270 -1.656
157 HD3 LYS 19 2HD LYS 19 12.652 -4.516 -1.370
158 HE2 LYS 19 2HE LYS 19 13.525 -6.689 -0.378
159 HE3 LYS 19 1HE LYS 19 11.954 -7.450 -0.669
160 HZ1 LYS 19 2HZ LYS 19 13.536 -7.910 -2.421
161 HZ3 LYS 19 1HZ LYS 19 13.749 -6.322 -2.746
162 H GLU 20 H GLU 20 11.972 -0.239 -0.489
163 HA GLU 20 HA GLU 20 14.145 -1.277 -2.218
164 HB2 GLU 20 1HB GLU 20 12.055 -0.501 -3.328
165 HB3 GLU 20 2HB GLU 20 12.326 1.063 -2.609
166 HG2 GLU 20 2HG GLU 20 12.987 1.187 -4.915
167 HG3 GLU 20 1HG GLU 20 14.428 1.379 -3.930
168 HE2 GLU 20 HE2 GLU 20 15.884 -0.137 -3.919
169 HN1 NH2 21 2HN NH2 21 13.532 1.999 -1.042
170 HN2 NH2 21 1HN NH2 21 14.235 1.278 0.413
Start of MODEL 5
1 H1 ACE 1 3HA ACE 1 -14.032 -4.564 -1.997
2 H2 ACE 1 1HA ACE 1 -12.380 -4.560 -2.662
3 H3 ACE 1 2HA ACE 1 -12.624 -4.449 -0.903
4 H GLU 1 H GLU 1 -14.403 -2.593 -0.531
5 HA GLU 1 HA GLU 1 -14.467 -0.278 -2.094
6 HB2 GLU 1 2HB GLU 1 -15.062 -0.586 0.906
7 HB3 GLU 1 1HB GLU 1 -15.532 0.766 -0.080
8 HG2 GLU 1 1HG GLU 1 -17.478 -0.381 0.011
9 HG3 GLU 1 2HG GLU 1 -16.879 -0.674 -1.610
10 HE2 GLU 1 HE2 GLU 1 -16.919 -4.096 -1.271
11 H SER 2 H SER 2 -14.152 1.850 -0.281
12 HA SER 2 HA SER 2 -11.613 2.940 -0.891
13 HB2 SER 2 1HB SER 2 -13.710 4.151 -0.079
14 HB3 SER 2 2HB SER 2 -13.173 3.773 1.533
15 HG SER 2 HG SER 2 -11.672 5.165 -0.427
16 H ALA 3 H ALA 3 -12.537 1.537 2.148
17 HA ALA 3 HA ALA 3 -9.751 1.645 3.185
18 HB1 ALA 3 3HB ALA 3 -11.755 1.939 4.744
19 HB2 ALA 3 1HB ALA 3 -12.198 0.227 4.452
20 HB3 ALA 3 2HB ALA 3 -10.682 0.630 5.310
21 H LYS 4 H LYS 4 -10.606 -0.100 1.108
22 HA LYS 4 HA LYS 4 -8.515 -2.140 1.470
23 HB2 LYS 4 1HB LYS 4 -11.383 -2.846 0.496
24 HB3 LYS 4 2HB LYS 4 -10.033 -3.951 0.277
25 HG2 LYS 4 1HG LYS 4 -9.731 -4.124 2.780
26 HG3 LYS 4 2HG LYS 4 -11.131 -3.074 3.014
27 HD2 LYS 4 2HD LYS 4 -12.594 -4.726 1.782
28 HD3 LYS 4 1HD LYS 4 -11.201 -5.787 1.546
29 HE2 LYS 4 2HE LYS 4 -10.945 -6.015 4.069
30 HE3 LYS 4 1HE LYS 4 -12.341 -4.952 4.305
31 HZ1 LYS 4 2HZ LYS 4 -12.368 -7.569 2.906
32 HZ3 LYS 4 1HZ LYS 4 -12.930 -7.281 4.414
33 H HIS 5 H HIS 5 -9.279 0.210 -0.138
34 HA HIS 5 HA HIS 5 -7.710 -0.529 -2.604
35 HB2 HIS 5 1HB HIS 5 -10.148 0.228 -3.059
36 HB3 HIS 5 2HB HIS 5 -9.740 1.804 -2.395
37 HD2 HIS 5 HD2 HIS 5 -8.653 -0.660 -5.257
38 HE1 HIS 5 HE1 HIS 5 -7.543 3.142 -6.528
39 HE2 HIS 5 HE2 HIS 5 -7.651 0.697 -7.311
40 H MET 6 H MET 6 -8.141 1.949 -0.023
41 HA MET 6 HA MET 6 -5.634 3.322 -0.809
42 HB2 MET 6 2HB MET 6 -7.169 3.807 1.832
43 HB3 MET 6 1HB MET 6 -5.983 4.843 1.061
44 HG2 MET 6 1HG MET 6 -7.966 4.720 -0.920
45 HG3 MET 6 2HG MET 6 -8.935 4.579 0.542
46 HE1 MET 6 3HE MET 6 -10.115 6.974 -0.149
47 HE2 MET 6 1HE MET 6 -9.028 7.076 -1.570
48 HE3 MET 6 2HE MET 6 -9.169 8.461 -0.447
49 H PHE 7 H PHE 7 -6.874 1.075 1.689
50 HA PHE 7 HA PHE 7 -4.286 0.739 3.027
51 HB2 PHE 7 1HB PHE 7 -6.993 -0.593 3.042
52 HB3 PHE 7 2HB PHE 7 -5.734 -1.577 3.672
53 HD1 PHE 7 HD1 PHE 7 -7.803 1.435 4.228
54 HD2 PHE 7 HD2 PHE 7 -4.494 -0.837 5.779
55 HE1 PHE 7 HE1 PHE 7 -7.986 2.622 6.345
56 HE2 PHE 7 HE2 PHE 7 -4.673 0.358 7.899
57 HZ PHE 7 HZ PHE 7 -6.425 2.099 8.219
58 H ASP 8 H ASP 8 -5.988 -0.947 0.448
59 HA ASP 8 HA ASP 8 -4.154 -3.121 -0.060
60 HB2 ASP 8 2HB ASP 8 -6.390 -2.741 -1.158
61 HB3 ASP 8 1HB ASP 8 -5.677 -1.601 -2.262
62 HD2 ASP 8 HD2 ASP 8 -5.859 -4.794 -1.235
63 H ARG 9 H ARG 9 -4.237 0.119 -1.573
64 HA ARG 9 HA ARG 9 -1.650 -0.115 -2.934
65 HB2 ARG 9 2HB ARG 9 -3.455 2.307 -2.450
66 HB3 ARG 9 1HB ARG 9 -1.793 2.572 -2.917
67 HG2 ARG 9 2HG ARG 9 -3.092 2.650 -4.919
68 HG3 ARG 9 1HG ARG 9 -2.010 1.268 -4.980
69 HD2 ARG 9 1HD ARG 9 -4.003 -0.243 -4.341
70 HD3 ARG 9 2HD ARG 9 -5.058 1.179 -4.452
71 HH11 ARG 9 2HH1 ARG 9 -5.411 -1.435 -5.242
72 HH12 ARG 9 1HH1 ARG 9 -5.890 -2.186 -6.847
73 HH21 ARG 9 1HH2 ARG 9 -4.436 0.319 -8.710
74 HH22 ARG 9 2HH2 ARG 9 -5.374 -1.258 -8.675
75 H ILE 10 H ILE 10 -2.473 1.733 0.079
76 HA ILE 10 HA ILE 10 0.129 2.531 0.824
77 HB ILE 10 HB ILE 10 -2.370 1.733 2.285
78 HG12 ILE 10 2HG1 ILE 10 -1.054 4.490 1.979
79 HG13 ILE 10 1HG1 ILE 10 -2.187 3.838 0.819
80 HG21 ILE 10 1HG2 ILE 10 -0.775 1.244 4.002
81 HG22 ILE 10 2HG2 ILE 10 -1.703 2.681 4.422
82 HG23 ILE 10 3HG2 ILE 10 -0.015 2.860 3.827
83 HD11 ILE 10 3HD1 ILE 10 -3.946 3.585 2.635
84 HD12 ILE 10 1HD1 ILE 10 -2.886 4.549 3.693
85 HD13 ILE 10 2HD1 ILE 10 -3.513 5.244 2.159
86 H GLY 11 H GLY 11 -1.369 -0.548 1.477
87 HA2 GLY 11 2HA GLY 11 0.662 -1.871 2.990
88 HA3 GLY 11 1HA GLY 11 -0.494 -2.731 1.927
89 H LYS 12 H LYS 12 0.582 -1.404 -0.436
90 HA LYS 12 HA LYS 12 3.439 -2.249 -0.667
91 HB2 LYS 12 2HB LYS 12 1.871 -4.253 -1.323
92 HB3 LYS 12 1HB LYS 12 1.376 -3.311 -2.724
93 HG2 LYS 12 2HG LYS 12 3.776 -3.303 -3.542
94 HG3 LYS 12 1HG LYS 12 4.286 -4.154 -2.082
95 HD2 LYS 12 1HD LYS 12 2.827 -6.119 -2.728
96 HD3 LYS 12 2HD LYS 12 2.303 -5.255 -4.179
97 HE2 LYS 12 2HE LYS 12 4.710 -5.185 -5.008
98 HE3 LYS 12 1HE LYS 12 5.235 -6.050 -3.556
99 HZ1 LYS 12 2HZ LYS 12 4.924 -7.552 -5.376
100 HZ3 LYS 12 1HZ LYS 12 3.844 -7.906 -4.201
101 H ASP 13 H ASP 13 2.547 0.255 -0.451
102 HA ASP 13 HA ASP 13 3.864 1.468 -2.850
103 HB2 ASP 13 1HB ASP 13 1.256 1.932 -2.515
104 HB3 ASP 13 2HB ASP 13 1.779 2.888 -1.187
105 HD2 ASP 13 HD2 ASP 13 2.968 4.640 -1.525
106 H VAL 14 H VAL 14 3.044 1.955 0.568
107 HA VAL 14 HA VAL 14 5.899 2.888 0.820
108 HB VAL 14 HB VAL 14 5.531 4.303 2.639
109 HG11 VAL 14 3HG2 VAL 14 5.506 5.174 0.316
110 HG12 VAL 14 1HG2 VAL 14 4.521 6.207 1.401
111 HG13 VAL 14 2HG2 VAL 14 3.733 5.062 0.267
112 HG21 VAL 14 1HG1 VAL 14 2.482 3.839 2.266
113 HG22 VAL 14 2HG1 VAL 14 3.440 3.314 3.666
114 HG23 VAL 14 3HG1 VAL 14 3.202 5.055 3.368
115 H TYR 15 H TYR 15 5.139 0.763 0.599
116 HA TYR 15 HA TYR 15 6.633 -0.767 2.741
117 HB2 TYR 15 2HB TYR 15 4.248 -1.468 2.998
118 HB3 TYR 15 1HB TYR 15 4.156 -1.795 1.285
119 HD1 TYR 15 HD2 TYR 15 5.890 -2.863 4.446
120 HD2 TYR 15 HD1 TYR 15 5.028 -3.936 0.372
121 HE1 TYR 15 HE2 TYR 15 6.805 -5.098 4.843
122 HE2 TYR 15 HE1 TYR 15 5.948 -6.165 0.767
123 HH TYR 15 HH TYR 15 6.878 -7.556 2.241
124 H ASP 16 H ASP 16 5.610 -0.393 -0.684
125 HA ASP 16 HA ASP 16 7.838 -2.127 -1.639
126 HB2 ASP 16 1HB ASP 16 5.614 -2.035 -2.908
127 HB3 ASP 16 2HB ASP 16 6.049 -0.398 -3.343
128 HD2 ASP 16 HD2 ASP 16 8.272 -1.306 -5.835
129 H LYS 17 H LYS 17 7.129 1.375 -1.306
130 HA LYS 17 HA LYS 17 9.732 2.170 -2.465
131 HB2 LYS 17 2HB LYS 17 7.643 3.615 -2.534
132 HB3 LYS 17 1HB LYS 17 7.744 3.822 -0.789
133 HG2 LYS 17 1HG LYS 17 9.989 4.972 -1.077
134 HG3 LYS 17 2HG LYS 17 9.901 4.704 -2.820
135 HD2 LYS 17 1HD LYS 17 7.784 6.098 -2.920
136 HD3 LYS 17 2HD LYS 17 7.873 6.357 -1.173
137 HE2 LYS 17 2HE LYS 17 10.120 7.520 -1.459
138 HE3 LYS 17 1HE LYS 17 10.030 7.260 -3.208
139 HZ1 LYS 17 2HZ LYS 17 7.977 8.565 -3.228
140 HZ3 LYS 17 1HZ LYS 17 8.059 8.804 -1.613
141 H VAL 18 H VAL 18 8.751 0.793 0.425
142 HA VAL 18 HA VAL 18 10.745 2.035 2.255
143 HB VAL 18 HB VAL 18 8.385 0.308 2.948
144 HG11 VAL 18 1HG1 VAL 18 10.054 -0.683 4.304
145 HG12 VAL 18 2HG1 VAL 18 8.898 0.234 5.277
146 HG13 VAL 18 3HG1 VAL 18 10.531 0.919 4.958
147 HG21 VAL 18 3HG2 VAL 18 7.693 2.161 4.403
148 HG22 VAL 18 1HG2 VAL 18 9.161 3.082 3.975
149 HG23 VAL 18 2HG2 VAL 18 7.915 2.737 2.744
150 H LYS 19 H LYS 19 9.811 -1.186 1.118
151 HA LYS 19 HA LYS 19 12.266 -2.490 1.990
152 HB2 LYS 19 2HB LYS 19 10.162 -3.261 -0.122
153 HB3 LYS 19 1HB LYS 19 11.511 -4.303 0.241
154 HG2 LYS 19 1HG LYS 19 9.407 -3.453 2.327
155 HG3 LYS 19 2HG LYS 19 9.377 -4.939 1.392
156 HD2 LYS 19 2HD LYS 19 11.607 -5.627 2.402
157 HD3 LYS 19 1HD LYS 19 11.601 -4.161 3.386
158 HE2 LYS 19 1HE LYS 19 9.428 -4.909 4.483
159 HE3 LYS 19 2HE LYS 19 9.461 -6.389 3.512
160 HZ1 LYS 19 2HZ LYS 19 11.597 -6.934 4.534
161 HZ3 LYS 19 1HZ LYS 19 11.569 -5.568 5.431
162 H GLU 20 H GLU 20 11.998 -0.172 -0.423
163 HA GLU 20 HA GLU 20 14.049 -1.302 -2.247
164 HB2 GLU 20 2HB GLU 20 11.946 -0.483 -3.266
165 HB3 GLU 20 1HB GLU 20 12.292 1.100 -2.601
166 HG2 GLU 20 2HG GLU 20 14.349 1.303 -4.028
167 HG3 GLU 20 1HG GLU 20 14.093 -0.326 -4.656
168 HE2 GLU 20 HE2 GLU 20 12.404 -0.706 -5.904
169 HN1 NH2 21 2HN NH2 21 13.600 2.015 -1.122
170 HN2 NH2 21 1HN NH2 21 14.341 1.310 0.322
Start of MODEL 6
1 H1 ACE 1 3HA ACE 1 -13.832 -4.705 -2.472
2 H2 ACE 1 1HA ACE 1 -12.053 -4.661 -2.363
3 H3 ACE 1 2HA ACE 1 -13.033 -4.611 -0.879
4 H GLU 1 H GLU 1 -14.383 -2.719 -0.606
5 HA GLU 1 HA GLU 1 -14.419 -0.422 -2.193
6 HB2 GLU 1 2HB GLU 1 -15.091 -0.704 0.794
7 HB3 GLU 1 1HB GLU 1 -15.546 0.635 -0.217
8 HG2 GLU 1 2HG GLU 1 -17.488 -0.523 -0.174
9 HG3 GLU 1 1HG GLU 1 -16.834 -0.841 -1.769
10 HE2 GLU 1 HE2 GLU 1 -17.204 -3.779 1.040
11 H SER 2 H SER 2 -14.171 1.725 -0.394
12 HA SER 2 HA SER 2 -11.636 2.843 -0.962
13 HB2 SER 2 2HB SER 2 -13.766 4.028 -0.192
14 HB3 SER 2 1HB SER 2 -13.250 3.667 1.431
15 HG SER 2 HG SER 2 -11.739 5.070 -0.514
16 H ALA 3 H ALA 3 -12.596 1.437 2.064
17 HA ALA 3 HA ALA 3 -9.834 1.597 3.152
18 HB1 ALA 3 3HB ALA 3 -10.787 0.575 5.264
19 HB2 ALA 3 1HB ALA 3 -11.871 1.862 4.668
20 HB3 ALA 3 2HB ALA 3 -12.278 0.140 4.378
21 H LYS 4 H LYS 4 -10.600 -0.168 1.065
22 HA LYS 4 HA LYS 4 -8.457 -2.131 1.485
23 HB2 LYS 4 1HB LYS 4 -10.928 -3.163 1.942
24 HB3 LYS 4 2HB LYS 4 -11.070 -3.160 0.189
25 HG2 LYS 4 2HG LYS 4 -8.913 -4.628 0.145
26 HG3 LYS 4 1HG LYS 4 -8.974 -4.683 1.895
27 HD2 LYS 4 1HD LYS 4 -11.127 -5.797 -0.035
28 HD3 LYS 4 2HD LYS 4 -9.861 -6.710 0.743
29 HE2 LYS 4 2HE LYS 4 -11.715 -7.229 2.068
30 HE3 LYS 4 1HE LYS 4 -10.861 -6.045 3.052
31 HZ1 LYS 4 2HZ LYS 4 -12.425 -4.358 2.204
32 HZ3 LYS 4 1HZ LYS 4 -13.197 -5.479 1.298
33 H HIS 5 H HIS 5 -9.274 0.156 -0.156
34 HA HIS 5 HA HIS 5 -7.666 -0.551 -2.600
35 HB2 HIS 5 1HB HIS 5 -10.110 0.111 -3.100
36 HB3 HIS 5 2HB HIS 5 -9.792 1.698 -2.408
37 HD2 HIS 5 HD2 HIS 5 -8.058 -0.637 -5.107
38 HE1 HIS 5 HE1 HIS 5 -8.050 3.222 -6.660
39 HE2 HIS 5 HE2 HIS 5 -7.367 0.808 -7.224
40 H MET 6 H MET 6 -8.174 1.921 -0.033
41 HA MET 6 HA MET 6 -5.694 3.356 -0.799
42 HB2 MET 6 2HB MET 6 -7.293 3.815 1.810
43 HB3 MET 6 1HB MET 6 -6.115 4.877 1.061
44 HG2 MET 6 1HG MET 6 -8.054 4.685 -0.963
45 HG3 MET 6 2HG MET 6 -9.046 4.541 0.481
46 HE1 MET 6 3HE MET 6 -9.125 7.013 -1.678
47 HE2 MET 6 1HE MET 6 -9.328 8.409 -0.579
48 HE3 MET 6 2HE MET 6 -10.254 6.907 -0.291
49 H PHE 7 H PHE 7 -6.921 1.118 1.720
50 HA PHE 7 HA PHE 7 -4.338 0.825 3.077
51 HB2 PHE 7 1HB PHE 7 -7.021 -0.563 3.077
52 HB3 PHE 7 2HB PHE 7 -5.745 -1.500 3.743
53 HD1 PHE 7 HD1 PHE 7 -4.552 -0.680 5.851
54 HD2 PHE 7 HD2 PHE 7 -7.913 1.452 4.216
55 HE1 PHE 7 HE1 PHE 7 -4.799 0.546 7.947
56 HE2 PHE 7 HE2 PHE 7 -8.164 2.670 6.309
57 HZ PHE 7 HZ PHE 7 -6.612 2.233 8.212
58 H ASP 8 H ASP 8 -5.989 -0.929 0.501
59 HA ASP 8 HA ASP 8 -4.092 -3.055 0.046
60 HB2 ASP 8 2HB ASP 8 -6.321 -2.764 -1.079
61 HB3 ASP 8 1HB ASP 8 -5.632 -1.627 -2.198
62 HD2 ASP 8 HD2 ASP 8 -5.664 -4.803 -1.067
63 H ARG 9 H ARG 9 -4.256 0.169 -1.497
64 HA ARG 9 HA ARG 9 -1.696 0.066 -2.902
65 HB2 ARG 9 2HB ARG 9 -3.390 2.501 -2.060
66 HB3 ARG 9 1HB ARG 9 -1.877 2.678 -2.934
67 HG2 ARG 9 2HG ARG 9 -2.717 1.416 -4.877
68 HG3 ARG 9 1HG ARG 9 -4.218 1.012 -4.047
69 HD2 ARG 9 1HD ARG 9 -4.855 3.442 -3.931
70 HD3 ARG 9 2HD ARG 9 -3.348 3.917 -4.698
71 HH11 ARG 9 1HH2 ARG 9 -2.363 3.625 -6.487
72 HH12 ARG 9 2HH2 ARG 9 -2.591 3.580 -8.307
73 HH21 ARG 9 2HH1 ARG 9 -5.886 2.601 -8.094
74 HH22 ARG 9 1HH1 ARG 9 -4.453 3.039 -9.153
75 H ILE 10 H ILE 10 -2.514 1.827 0.148
76 HA ILE 10 HA ILE 10 0.081 2.655 0.895
77 HB ILE 10 HB ILE 10 -2.416 1.826 2.346
78 HG12 ILE 10 1HG1 ILE 10 -1.128 4.598 2.052
79 HG13 ILE 10 2HG1 ILE 10 -2.247 3.938 0.886
80 HG21 ILE 10 1HG2 ILE 10 -0.818 1.347 4.066
81 HG22 ILE 10 2HG2 ILE 10 -0.082 2.976 3.901
82 HG23 ILE 10 3HG2 ILE 10 -1.769 2.770 4.487
83 HD11 ILE 10 3HD1 ILE 10 -2.975 4.625 3.757
84 HD12 ILE 10 1HD1 ILE 10 -3.584 5.337 2.224
85 HD13 ILE 10 2HD1 ILE 10 -4.020 3.671 2.674
86 H GLY 11 H GLY 11 -1.388 -0.441 1.547
87 HA2 GLY 11 1HA GLY 11 0.680 -1.758 3.021
88 HA3 GLY 11 2HA GLY 11 -0.495 -2.609 1.972
89 H LYS 12 H LYS 12 0.569 -1.223 -0.386
90 HA LYS 12 HA LYS 12 3.393 -2.151 -0.694
91 HB2 LYS 12 2HB LYS 12 2.982 -3.461 -2.768
92 HB3 LYS 12 1HB LYS 12 2.112 -4.147 -1.413
93 HG2 LYS 12 1HG LYS 12 -0.026 -3.043 -2.225
94 HG3 LYS 12 2HG LYS 12 0.840 -2.375 -3.607
95 HD2 LYS 12 2HD LYS 12 1.373 -4.705 -4.410
96 HD3 LYS 12 1HD LYS 12 0.568 -5.391 -2.993
97 HE2 LYS 12 2HE LYS 12 -1.629 -4.330 -3.719
98 HE3 LYS 12 1HE LYS 12 -0.828 -3.649 -5.143
99 HZ1 LYS 12 2HZ LYS 12 -1.026 -6.545 -4.522
100 HZ3 LYS 12 1HZ LYS 12 -0.287 -5.918 -5.838
101 H ASP 13 H ASP 13 2.531 0.397 -0.397
102 HA ASP 13 HA ASP 13 3.870 1.629 -2.783
103 HB2 ASP 13 2HB ASP 13 1.283 2.167 -2.420
104 HB3 ASP 13 1HB ASP 13 1.844 3.069 -1.067
105 HD2 ASP 13 HD2 ASP 13 2.371 4.433 -4.832
106 H VAL 14 H VAL 14 3.089 2.073 0.652
107 HA VAL 14 HA VAL 14 5.981 2.895 0.896
108 HB VAL 14 HB VAL 14 5.678 4.263 2.763
109 HG11 VAL 14 3HG2 VAL 14 4.716 6.235 1.591
110 HG12 VAL 14 1HG2 VAL 14 5.669 5.207 0.474
111 HG13 VAL 14 2HG2 VAL 14 3.894 5.148 0.424
112 HG21 VAL 14 1HG1 VAL 14 3.383 5.067 3.538
113 HG22 VAL 14 2HG1 VAL 14 3.565 3.310 3.779
114 HG23 VAL 14 3HG1 VAL 14 2.613 3.911 2.406
115 H TYR 15 H TYR 15 5.168 0.800 0.624
116 HA TYR 15 HA TYR 15 6.652 -0.796 2.706
117 HB2 TYR 15 1HB TYR 15 4.277 -1.509 2.993
118 HB3 TYR 15 2HB TYR 15 4.150 -1.790 1.273
119 HD1 TYR 15 HD1 TYR 15 5.996 -2.938 4.353
120 HD2 TYR 15 HD2 TYR 15 4.952 -3.920 0.298
121 HE1 TYR 15 HE1 TYR 15 7.005 -5.153 4.629
122 HE2 TYR 15 HE2 TYR 15 5.967 -6.129 0.577
123 HH TYR 15 HH TYR 15 7.056 -7.511 1.941
124 H ASP 16 H ASP 16 5.597 -0.334 -0.698
125 HA ASP 16 HA ASP 16 7.779 -2.087 -1.728
126 HB2 ASP 16 1HB ASP 16 5.574 -1.969 -2.979
127 HB3 ASP 16 2HB ASP 16 5.956 -0.295 -3.325
128 HD2 ASP 16 HD2 ASP 16 7.409 0.164 -4.761
129 H LYS 17 H LYS 17 7.151 1.417 -1.290
130 HA LYS 17 HA LYS 17 9.767 2.194 -2.457
131 HB2 LYS 17 1HB LYS 17 7.743 3.789 -0.770
132 HB3 LYS 17 2HB LYS 17 9.224 4.475 -1.411
133 HG2 LYS 17 1HG LYS 17 8.511 4.164 -3.741
134 HG3 LYS 17 2HG LYS 17 7.086 3.250 -3.256
135 HD2 LYS 17 2HD LYS 17 6.209 5.271 -2.003
136 HD3 LYS 17 1HD LYS 17 7.581 6.220 -2.554
137 HE2 LYS 17 1HE LYS 17 5.491 4.877 -4.415
138 HE3 LYS 17 2HE LYS 17 5.417 6.548 -3.866
139 HZ1 LYS 17 2HZ LYS 17 7.543 6.962 -4.960
140 HZ3 LYS 17 1HZ LYS 17 7.631 5.414 -5.479
141 H VAL 18 H VAL 18 8.787 0.752 0.394
142 HA VAL 18 HA VAL 18 10.828 1.919 2.222
143 HB VAL 18 HB VAL 18 8.425 0.249 2.916
144 HG11 VAL 18 1HG1 VAL 18 10.591 0.806 4.920
145 HG12 VAL 18 2HG1 VAL 18 10.077 -0.783 4.261
146 HG13 VAL 18 3HG1 VAL 18 8.944 0.154 5.242
147 HG21 VAL 18 3HG2 VAL 18 9.264 3.003 3.948
148 HG22 VAL 18 1HG2 VAL 18 7.781 2.109 4.385
149 HG23 VAL 18 2HG2 VAL 18 8.000 2.685 2.726
150 H LYS 19 H LYS 19 9.791 -1.260 1.054
151 HA LYS 19 HA LYS 19 12.163 -2.674 1.934
152 HB2 LYS 19 1HB LYS 19 9.857 -3.608 1.313
153 HB3 LYS 19 2HB LYS 19 10.263 -3.386 -0.385
154 HG2 LYS 19 2HG LYS 19 12.140 -5.056 -0.142
155 HG3 LYS 19 1HG LYS 19 11.840 -5.164 1.596
156 HD2 LYS 19 1HD LYS 19 9.499 -6.031 1.131
157 HD3 LYS 19 2HD LYS 19 9.813 -5.937 -0.605
158 HE2 LYS 19 1HE LYS 19 11.707 -7.615 -0.356
159 HE3 LYS 19 2HE LYS 19 11.405 -7.699 1.387
160 HZ1 LYS 19 2HZ LYS 19 10.318 -9.485 0.249
161 HZ3 LYS 19 1HZ LYS 19 9.189 -8.519 0.931
162 H GLU 20 H GLU 20 11.974 -0.315 -0.497
163 HA GLU 20 HA GLU 20 14.028 -1.452 -2.312
164 HB2 GLU 20 2HB GLU 20 11.938 -0.606 -3.342
165 HB3 GLU 20 1HB GLU 20 12.281 0.954 -2.640
166 HG2 GLU 20 1HG GLU 20 12.860 1.050 -4.969
167 HG3 GLU 20 2HG GLU 20 14.343 1.198 -4.039
168 HE2 GLU 20 HE2 GLU 20 15.748 -0.364 -4.077
169 HN1 NH2 21 2HN NH2 21 13.605 1.854 -1.141
170 HN2 NH2 21 1HN NH2 21 14.332 1.117 0.294
Start of MODEL 7
1 H1 ACE 1 3HA ACE 1 -12.608 -4.483 -0.911
2 H2 ACE 1 1HA ACE 1 -12.344 -4.615 -2.666
3 H3 ACE 1 2HA ACE 1 -14.003 -4.615 -2.020
4 H GLU 1 H GLU 1 -14.401 -2.628 -0.587
5 HA GLU 1 HA GLU 1 -14.446 -0.329 -2.177
6 HB2 GLU 1 1HB GLU 1 -15.084 -0.601 0.820
7 HB3 GLU 1 2HB GLU 1 -15.541 0.733 -0.181
8 HG2 GLU 1 2HG GLU 1 -17.489 -0.407 -0.111
9 HG3 GLU 1 1HG GLU 1 -16.864 -0.719 -1.719
10 HE2 GLU 1 HE2 GLU 1 -17.108 -1.940 1.463
11 H SER 2 H SER 2 -14.159 1.821 -0.383
12 HA SER 2 HA SER 2 -11.613 2.905 -0.973
13 HB2 SER 2 2HB SER 2 -13.716 4.128 -0.203
14 HB3 SER 2 1HB SER 2 -13.204 3.767 1.420
15 HG SER 2 HG SER 2 -11.670 5.134 -0.533
16 H ALA 3 H ALA 3 -12.580 1.540 2.072
17 HA ALA 3 HA ALA 3 -9.810 1.663 3.146
18 HB1 ALA 3 3HB ALA 3 -11.838 1.958 4.673
19 HB2 ALA 3 1HB ALA 3 -10.766 0.660 5.267
20 HB3 ALA 3 2HB ALA 3 -12.267 0.241 4.390
21 H LYS 4 H LYS 4 -10.627 -0.110 1.075
22 HA LYS 4 HA LYS 4 -8.527 -2.132 1.485
23 HB2 LYS 4 1HB LYS 4 -11.379 -2.869 0.485
24 HB3 LYS 4 2HB LYS 4 -10.019 -3.968 0.296
25 HG2 LYS 4 2HG LYS 4 -9.748 -4.111 2.805
26 HG3 LYS 4 1HG LYS 4 -11.156 -3.065 3.008
27 HD2 LYS 4 2HD LYS 4 -12.596 -4.762 1.767
28 HD3 LYS 4 1HD LYS 4 -11.184 -5.788 1.568
29 HE2 LYS 4 1HE LYS 4 -12.417 -6.712 3.405
30 HE3 LYS 4 2HE LYS 4 -10.971 -5.991 4.107
31 HZ1 LYS 4 2HZ LYS 4 -12.305 -4.074 4.749
32 HZ3 LYS 4 1HZ LYS 4 -12.913 -5.452 5.383
33 H HIS 5 H HIS 5 -9.285 0.193 -0.157
34 HA HIS 5 HA HIS 5 -7.683 -0.568 -2.589
35 HB2 HIS 5 2HB HIS 5 -10.100 0.123 -3.131
36 HB3 HIS 5 1HB HIS 5 -9.789 1.701 -2.416
37 HD2 HIS 5 HD2 HIS 5 -7.884 -0.570 -5.055
38 HE1 HIS 5 HE1 HIS 5 -8.022 3.278 -6.631
39 HE2 HIS 5 HE2 HIS 5 -7.179 0.903 -7.148
40 H MET 6 H MET 6 -8.153 1.918 -0.045
41 HA MET 6 HA MET 6 -5.662 3.327 -0.823
42 HB2 MET 6 2HB MET 6 -7.229 3.827 1.795
43 HB3 MET 6 1HB MET 6 -6.065 4.876 1.008
44 HG2 MET 6 1HG MET 6 -8.019 4.683 -0.979
45 HG3 MET 6 2HG MET 6 -9.012 4.512 0.453
46 HE1 MET 6 3HE MET 6 -9.709 6.438 2.051
47 HE2 MET 6 1HE MET 6 -8.699 7.881 2.365
48 HE3 MET 6 2HE MET 6 -8.083 6.254 2.782
49 H PHE 7 H PHE 7 -6.912 1.095 1.689
50 HA PHE 7 HA PHE 7 -4.335 0.794 3.063
51 HB2 PHE 7 1HB PHE 7 -7.036 -0.551 3.071
52 HB3 PHE 7 2HB PHE 7 -5.779 -1.522 3.722
53 HD1 PHE 7 HD1 PHE 7 -7.875 1.477 4.230
54 HD2 PHE 7 HD2 PHE 7 -4.556 -0.745 5.829
55 HE1 PHE 7 HE1 PHE 7 -8.088 2.683 6.333
56 HE2 PHE 7 HE2 PHE 7 -4.764 0.468 7.936
57 HZ PHE 7 HZ PHE 7 -6.536 2.195 8.224
58 H ASP 8 H ASP 8 -6.008 -0.961 0.504
59 HA ASP 8 HA ASP 8 -4.136 -3.108 0.050
60 HB2 ASP 8 2HB ASP 8 -6.375 -2.775 -1.057
61 HB3 ASP 8 1HB ASP 8 -5.666 -1.668 -2.194
62 HD2 ASP 8 HD2 ASP 8 -5.127 -5.671 -2.450
63 H ARG 9 H ARG 9 -4.261 0.117 -1.492
64 HA ARG 9 HA ARG 9 -1.702 -0.032 -2.901
65 HB2 ARG 9 2HB ARG 9 -3.397 2.417 -2.109
66 HB3 ARG 9 1HB ARG 9 -1.856 2.586 -2.936
67 HG2 ARG 9 2HG ARG 9 -2.632 1.276 -4.880
68 HG3 ARG 9 1HG ARG 9 -4.180 0.935 -4.108
69 HD2 ARG 9 2HD ARG 9 -4.815 3.343 -4.134
70 HD3 ARG 9 1HD ARG 9 -3.208 3.801 -4.730
71 HH11 ARG 9 1HH2 ARG 9 -4.785 5.266 -5.599
72 HH12 ARG 9 2HH2 ARG 9 -5.444 5.695 -7.256
73 HH21 ARG 9 1HH1 ARG 9 -5.133 2.483 -8.459
74 HH22 ARG 9 2HH1 ARG 9 -5.627 4.223 -8.765
75 H ILE 10 H ILE 10 -2.503 1.776 0.130
76 HA ILE 10 HA ILE 10 0.096 2.585 0.880
77 HB ILE 10 HB ILE 10 -2.408 1.781 2.330
78 HG12 ILE 10 1HG1 ILE 10 -1.099 4.542 2.026
79 HG13 ILE 10 2HG1 ILE 10 -2.222 3.886 0.861
80 HG21 ILE 10 1HG2 ILE 10 -0.067 2.917 3.883
81 HG22 ILE 10 2HG2 ILE 10 -1.757 2.731 4.467
82 HG23 ILE 10 3HG2 ILE 10 -0.820 1.297 4.054
83 HD11 ILE 10 3HD1 ILE 10 -3.553 5.297 2.192
84 HD12 ILE 10 1HD1 ILE 10 -2.946 4.593 3.729
85 HD13 ILE 10 2HD1 ILE 10 -3.997 3.637 2.654
86 H GLY 11 H GLY 11 -1.392 -0.496 1.531
87 HA2 GLY 11 1HA GLY 11 0.641 -1.815 3.044
88 HA3 GLY 11 2HA GLY 11 -0.511 -2.675 1.975
89 H LYS 12 H LYS 12 0.554 -1.350 -0.400
90 HA LYS 12 HA LYS 12 3.406 -2.245 -0.649
91 HB2 LYS 12 1HB LYS 12 1.213 -3.241 -2.615
92 HB3 LYS 12 2HB LYS 12 2.939 -3.414 -2.885
93 HG2 LYS 12 1HG LYS 12 3.133 -4.874 -0.810
94 HG3 LYS 12 2HG LYS 12 1.395 -4.742 -0.590
95 HD2 LYS 12 1HD LYS 12 1.733 -6.835 -1.626
96 HD3 LYS 12 2HD LYS 12 1.016 -5.809 -2.861
97 HE2 LYS 12 1HE LYS 12 3.329 -5.474 -3.903
98 HE3 LYS 12 2HE LYS 12 4.042 -6.473 -2.628
99 HZ1 LYS 12 2HZ LYS 12 2.018 -7.362 -4.608
100 HZ3 LYS 12 1HZ LYS 12 3.614 -7.713 -4.644
101 H ASP 13 H ASP 13 2.528 0.287 -0.376
102 HA ASP 13 HA ASP 13 3.833 1.510 -2.787
103 HB2 ASP 13 2HB ASP 13 1.256 2.012 -2.428
104 HB3 ASP 13 1HB ASP 13 1.787 2.927 -1.071
105 HD2 ASP 13 HD2 ASP 13 1.821 2.638 -4.410
106 H VAL 14 H VAL 14 3.080 1.987 0.644
107 HA VAL 14 HA VAL 14 5.962 2.855 0.853
108 HB VAL 14 HB VAL 14 5.655 4.258 2.695
109 HG11 VAL 14 1HG1 VAL 14 4.661 6.192 1.490
110 HG12 VAL 14 2HG1 VAL 14 3.838 5.073 0.355
111 HG13 VAL 14 3HG1 VAL 14 5.612 5.152 0.382
112 HG21 VAL 14 3HG2 VAL 14 2.592 3.857 2.365
113 HG22 VAL 14 1HG2 VAL 14 3.562 3.297 3.744
114 HG23 VAL 14 2HG2 VAL 14 3.354 5.046 3.469
115 H TYR 15 H TYR 15 5.169 0.745 0.623
116 HA TYR 15 HA TYR 15 6.683 -0.813 2.723
117 HB2 TYR 15 1HB TYR 15 4.285 -1.493 2.994
118 HB3 TYR 15 2HB TYR 15 4.192 -1.817 1.279
119 HD1 TYR 15 HD1 TYR 15 5.928 -2.897 4.434
120 HD2 TYR 15 HD2 TYR 15 5.043 -3.963 0.366
121 HE1 TYR 15 HE1 TYR 15 6.845 -5.134 4.824
122 HE2 TYR 15 HE2 TYR 15 5.956 -6.199 0.756
123 HH TYR 15 HH TYR 15 6.913 -7.585 2.218
124 H ASP 16 H ASP 16 5.605 -0.411 -0.678
125 HA ASP 16 HA ASP 16 7.801 -2.149 -1.690
126 HB2 ASP 16 2HB ASP 16 5.592 -2.075 -2.936
127 HB3 ASP 16 1HB ASP 16 5.951 -0.402 -3.308
128 HD2 ASP 16 HD2 ASP 16 7.393 0.055 -4.757
129 H LYS 17 H LYS 17 7.130 1.356 -1.315
130 HA LYS 17 HA LYS 17 9.737 2.145 -2.489
131 HB2 LYS 17 1HB LYS 17 7.669 3.747 -0.865
132 HB3 LYS 17 2HB LYS 17 9.169 4.436 -1.456
133 HG2 LYS 17 1HG LYS 17 8.558 4.062 -3.811
134 HG3 LYS 17 2HG LYS 17 7.098 3.188 -3.357
135 HD2 LYS 17 2HD LYS 17 6.159 5.260 -2.255
136 HD3 LYS 17 1HD LYS 17 7.635 6.134 -2.637
137 HE2 LYS 17 2HE LYS 17 5.999 6.800 -4.271
138 HE3 LYS 17 1HE LYS 17 7.195 5.827 -5.123
139 HZ1 LYS 17 2HZ LYS 17 5.668 3.951 -5.018
140 HZ3 LYS 17 1HZ LYS 17 4.980 5.230 -5.769
141 H VAL 18 H VAL 18 8.785 0.733 0.381
142 HA VAL 18 HA VAL 18 10.802 1.968 2.192
143 HB VAL 18 HB VAL 18 8.442 0.252 2.910
144 HG11 VAL 18 1HG1 VAL 18 8.980 0.172 5.234
145 HG12 VAL 18 2HG1 VAL 18 10.613 0.849 4.898
146 HG13 VAL 18 3HG1 VAL 18 10.121 -0.749 4.247
147 HG21 VAL 18 3HG2 VAL 18 9.247 3.021 3.934
148 HG22 VAL 18 1HG2 VAL 18 7.983 2.686 2.717
149 HG23 VAL 18 2HG2 VAL 18 7.778 2.108 4.379
150 H LYS 19 H LYS 19 9.840 -1.245 1.051
151 HA LYS 19 HA LYS 19 12.246 -2.597 1.922
152 HB2 LYS 19 1HB LYS 19 10.019 -3.657 1.267
153 HB3 LYS 19 2HB LYS 19 10.366 -3.302 -0.413
154 HG2 LYS 19 2HG LYS 19 10.778 -5.629 -0.000
155 HG3 LYS 19 1HG LYS 19 12.326 -4.888 -0.352
156 HD2 LYS 19 1HD LYS 19 12.872 -4.836 2.114
157 HD3 LYS 19 2HD LYS 19 11.304 -5.523 2.508
158 HE2 LYS 19 1HE LYS 19 13.461 -6.941 0.787
159 HE3 LYS 19 2HE LYS 19 13.267 -7.160 2.524
160 HZ1 LYS 19 2HZ LYS 19 11.021 -7.985 2.131
161 HZ3 LYS 19 1HZ LYS 19 11.181 -7.790 0.516
162 H GLU 20 H GLU 20 12.001 -0.243 -0.516
163 HA GLU 20 HA GLU 20 14.131 -1.303 -2.285
164 HB2 GLU 20 1HB GLU 20 12.018 -0.553 -3.358
165 HB3 GLU 20 2HB GLU 20 12.302 1.037 -2.688
166 HG2 GLU 20 1HG GLU 20 14.393 1.296 -4.070
167 HG3 GLU 20 2HG GLU 20 14.185 -0.338 -4.701
168 HE2 GLU 20 HE2 GLU 20 12.963 2.803 -4.569
169 HN1 NH2 21 2HN NH2 21 13.509 1.982 -1.148
170 HN2 NH2 21 1HN NH2 21 14.276 1.309 0.299
Start of MODEL 8
1 H1 ACE 1 3HA ACE 1 -12.465 -4.525 -1.197
2 H2 ACE 1 1HA ACE 1 -14.033 -4.692 -2.038
3 H3 ACE 1 2HA ACE 1 -12.522 -4.593 -2.974
4 H GLU 1 H GLU 1 -14.359 -2.781 -0.560
5 HA GLU 1 HA GLU 1 -14.668 -0.426 -2.022
6 HB2 GLU 1 2HB GLU 1 -14.939 -0.799 1.013
7 HB3 GLU 1 1HB GLU 1 -15.596 0.512 0.081
8 HG2 GLU 1 1HG GLU 1 -17.452 -0.741 0.357
9 HG3 GLU 1 2HG GLU 1 -16.986 -1.040 -1.307
10 HE2 GLU 1 HE2 GLU 1 -16.839 -3.966 1.538
11 H SER 2 H SER 2 -14.311 1.680 -0.299
12 HA SER 2 HA SER 2 -11.861 2.870 -1.073
13 HB2 SER 2 1HB SER 2 -13.954 4.035 -0.221
14 HB3 SER 2 2HB SER 2 -13.357 3.719 1.386
15 HG SER 2 HG SER 2 -11.431 4.820 0.824
16 H ALA 3 H ALA 3 -12.596 1.601 2.086
17 HA ALA 3 HA ALA 3 -9.736 1.802 2.970
18 HB1 ALA 3 3HB ALA 3 -11.645 2.201 4.612
19 HB2 ALA 3 1HB ALA 3 -10.556 0.910 5.189
20 HB3 ALA 3 2HB ALA 3 -12.124 0.482 4.446
21 H LYS 4 H LYS 4 -10.680 -0.012 1.015
22 HA LYS 4 HA LYS 4 -8.656 -2.119 1.409
23 HB2 LYS 4 2HB LYS 4 -11.505 -2.705 0.328
24 HB3 LYS 4 1HB LYS 4 -10.196 -3.866 0.181
25 HG2 LYS 4 2HG LYS 4 -10.019 -4.026 2.693
26 HG3 LYS 4 1HG LYS 4 -11.366 -2.897 2.858
27 HD2 LYS 4 2HD LYS 4 -12.868 -4.480 1.580
28 HD3 LYS 4 1HD LYS 4 -11.527 -5.621 1.416
29 HE2 LYS 4 2HE LYS 4 -11.392 -5.830 3.949
30 HE3 LYS 4 1HE LYS 4 -12.735 -4.688 4.114
31 HZ1 LYS 4 2HZ LYS 4 -13.510 -6.936 4.227
32 HZ3 LYS 4 1HZ LYS 4 -14.141 -6.220 2.900
33 H HIS 5 H HIS 5 -9.386 0.256 -0.267
34 HA HIS 5 HA HIS 5 -7.660 -0.456 -2.621
35 HB2 HIS 5 2HB HIS 5 -10.010 0.300 -3.289
36 HB3 HIS 5 1HB HIS 5 -9.781 1.806 -2.411
37 HD2 HIS 5 HD2 HIS 5 -7.941 -0.185 -5.300
38 HE1 HIS 5 HE1 HIS 5 -7.314 3.861 -6.035
39 HE2 HIS 5 HE2 HIS 5 -6.810 1.526 -6.985
40 H MET 6 H MET 6 -8.128 1.825 0.061
41 HA MET 6 HA MET 6 -5.663 3.339 -0.605
42 HB2 MET 6 1HB MET 6 -6.065 4.667 1.458
43 HB3 MET 6 2HB MET 6 -7.430 4.796 0.353
44 HG2 MET 6 1HG MET 6 -8.898 3.708 1.811
45 HG3 MET 6 2HG MET 6 -7.629 2.820 2.662
46 HE1 MET 6 3HE MET 6 -9.233 5.320 5.352
47 HE2 MET 6 1HE MET 6 -9.039 3.608 4.872
48 HE3 MET 6 2HE MET 6 -10.122 4.683 3.937
49 H PHE 7 H PHE 7 -6.913 1.007 1.787
50 HA PHE 7 HA PHE 7 -4.337 0.606 3.110
51 HB2 PHE 7 1HB PHE 7 -7.076 -0.647 3.054
52 HB3 PHE 7 2HB PHE 7 -5.852 -1.732 3.603
53 HD1 PHE 7 HD2 PHE 7 -4.489 -1.124 5.698
54 HD2 PHE 7 HD1 PHE 7 -7.841 1.255 4.424
55 HE1 PHE 7 HE2 PHE 7 -4.563 -0.051 7.886
56 HE2 PHE 7 HE1 PHE 7 -7.916 2.325 6.607
57 HZ PHE 7 HZ PHE 7 -6.281 1.687 8.379
58 H ASP 8 H ASP 8 -5.987 -1.024 0.465
59 HA ASP 8 HA ASP 8 -4.108 -3.133 -0.088
60 HB2 ASP 8 1HB ASP 8 -6.356 -2.740 -1.176
61 HB3 ASP 8 2HB ASP 8 -5.644 -1.591 -2.268
62 HD2 ASP 8 HD2 ASP 8 -4.158 -3.961 -4.305
63 H ARG 9 H ARG 9 -4.224 0.164 -1.508
64 HA ARG 9 HA ARG 9 -1.610 -0.093 -2.818
65 HB2 ARG 9 1HB ARG 9 -1.557 2.193 -3.486
66 HB3 ARG 9 2HB ARG 9 -3.086 1.428 -3.869
67 HG2 ARG 9 2HG ARG 9 -3.954 2.586 -1.641
68 HG3 ARG 9 1HG ARG 9 -2.505 3.570 -1.740
69 HD2 ARG 9 1HD ARG 9 -3.202 4.370 -4.046
70 HD3 ARG 9 2HD ARG 9 -4.627 3.314 -3.989
71 HH11 ARG 9 1HH2 ARG 9 -5.136 5.273 -5.155
72 HH12 ARG 9 2HH2 ARG 9 -6.267 6.701 -4.931
73 HH21 ARG 9 2HH1 ARG 9 -5.985 6.673 -1.498
74 HH22 ARG 9 1HH1 ARG 9 -6.713 7.439 -2.998
75 H ILE 10 H ILE 10 -2.496 1.708 0.219
76 HA ILE 10 HA ILE 10 0.086 2.524 1.000
77 HB ILE 10 HB ILE 10 -2.411 1.645 2.421
78 HG12 ILE 10 2HG1 ILE 10 -1.127 4.426 2.210
79 HG13 ILE 10 1HG1 ILE 10 -2.247 3.796 1.026
80 HG21 ILE 10 1HG2 ILE 10 -0.827 1.120 4.137
81 HG22 ILE 10 2HG2 ILE 10 -1.783 2.528 4.591
82 HG23 ILE 10 3HG2 ILE 10 -0.092 2.754 4.025
83 HD11 ILE 10 3HD1 ILE 10 -2.960 4.425 3.914
84 HD12 ILE 10 1HD1 ILE 10 -3.606 5.136 2.394
85 HD13 ILE 10 2HD1 ILE 10 -4.004 3.460 2.842
86 H GLY 11 H GLY 11 -1.370 -0.598 1.566
87 HA2 GLY 11 2HA GLY 11 0.691 -1.923 3.042
88 HA3 GLY 11 1HA GLY 11 -0.460 -2.774 1.967
89 H LYS 12 H LYS 12 0.617 -1.352 -0.347
90 HA LYS 12 HA LYS 12 3.472 -2.197 -0.622
91 HB2 LYS 12 1HB LYS 12 1.845 -4.147 -1.357
92 HB3 LYS 12 2HB LYS 12 1.396 -3.136 -2.724
93 HG2 LYS 12 1HG LYS 12 3.824 -3.191 -3.516
94 HG3 LYS 12 2HG LYS 12 4.265 -4.088 -2.073
95 HD2 LYS 12 1HD LYS 12 4.144 -5.677 -3.836
96 HD3 LYS 12 2HD LYS 12 2.763 -5.999 -2.796
97 HE2 LYS 12 2HE LYS 12 1.248 -4.768 -4.450
98 HE3 LYS 12 1HE LYS 12 2.653 -4.420 -5.469
99 HZ1 LYS 12 2HZ LYS 12 2.981 -6.787 -5.759
100 HZ3 LYS 12 1HZ LYS 12 1.486 -6.343 -6.247
101 H ASP 13 H ASP 13 2.533 0.323 -0.340
102 HA ASP 13 HA ASP 13 3.886 1.610 -2.684
103 HB2 ASP 13 2HB ASP 13 1.271 2.074 -2.348
104 HB3 ASP 13 1HB ASP 13 1.796 2.985 -0.989
105 HD2 ASP 13 HD2 ASP 13 1.868 2.688 -4.331
106 H VAL 14 H VAL 14 3.047 1.992 0.744
107 HA VAL 14 HA VAL 14 5.902 2.920 1.038
108 HB VAL 14 HB VAL 14 5.516 4.280 2.905
109 HG11 VAL 14 3HG2 VAL 14 4.498 6.215 1.728
110 HG12 VAL 14 1HG2 VAL 14 3.722 5.104 0.552
111 HG13 VAL 14 2HG2 VAL 14 5.494 5.225 0.612
112 HG21 VAL 14 1HG1 VAL 14 3.434 3.233 3.888
113 HG22 VAL 14 2HG1 VAL 14 2.472 3.809 2.510
114 HG23 VAL 14 3HG1 VAL 14 3.187 4.983 3.659
115 H TYR 15 H TYR 15 5.116 0.791 0.748
116 HA TYR 15 HA TYR 15 6.600 -0.781 2.845
117 HB2 TYR 15 1HB TYR 15 4.233 -1.540 3.080
118 HB3 TYR 15 2HB TYR 15 4.163 -1.828 1.358
119 HD1 TYR 15 HD1 TYR 15 5.934 -2.929 4.498
120 HD2 TYR 15 HD2 TYR 15 5.049 -3.938 0.412
121 HE1 TYR 15 HE1 TYR 15 6.974 -5.125 4.813
122 HE2 TYR 15 HE2 TYR 15 6.095 -6.128 0.730
123 HH TYR 15 HH TYR 15 7.155 -7.489 2.137
124 H ASP 16 H ASP 16 5.646 -0.332 -0.562
125 HA ASP 16 HA ASP 16 7.989 -1.977 -1.431
126 HB2 ASP 16 1HB ASP 16 5.771 -2.082 -2.758
127 HB3 ASP 16 2HB ASP 16 6.119 -0.435 -3.234
128 HD2 ASP 16 HD2 ASP 16 8.414 -1.276 -5.674
129 H LYS 17 H LYS 17 7.142 1.474 -1.103
130 HA LYS 17 HA LYS 17 9.662 2.332 -2.342
131 HB2 LYS 17 2HB LYS 17 7.581 3.775 -2.158
132 HB3 LYS 17 1HB LYS 17 7.810 3.874 -0.415
133 HG2 LYS 17 1HG LYS 17 10.022 5.059 -0.800
134 HG3 LYS 17 2HG LYS 17 9.802 4.903 -2.544
135 HD2 LYS 17 2HD LYS 17 7.678 6.267 -2.395
136 HD3 LYS 17 1HD LYS 17 7.880 6.438 -0.659
137 HE2 LYS 17 2HE LYS 17 9.894 7.484 -2.774
138 HE3 LYS 17 1HE LYS 17 8.609 8.449 -2.052
139 HZ1 LYS 17 2HZ LYS 17 9.609 8.080 0.127
140 HZ3 LYS 17 1HZ LYS 17 10.810 7.182 -0.524
141 H VAL 18 H VAL 18 8.887 0.937 0.810
142 HA VAL 18 HA VAL 18 11.272 2.082 2.113
143 HB VAL 18 HB VAL 18 10.656 1.324 4.107
144 HG11 VAL 18 3HG2 VAL 18 7.934 2.095 2.941
145 HG12 VAL 18 1HG2 VAL 18 8.362 2.198 4.661
146 HG13 VAL 18 2HG2 VAL 18 9.184 3.240 3.472
147 HG21 VAL 18 1HG1 VAL 18 8.712 -0.157 4.803
148 HG22 VAL 18 2HG1 VAL 18 8.652 -0.658 3.091
149 HG23 VAL 18 3HG1 VAL 18 10.107 -0.945 4.047
150 H LYS 19 H LYS 19 9.958 -1.051 1.397
151 HA LYS 19 HA LYS 19 12.332 -2.611 1.851
152 HB2 LYS 19 1HB LYS 19 9.944 -3.434 1.541
153 HB3 LYS 19 2HB LYS 19 10.111 -3.224 -0.199
154 HG2 LYS 19 2HG LYS 19 11.918 -4.985 -0.227
155 HG3 LYS 19 1HG LYS 19 11.858 -5.095 1.536
156 HD2 LYS 19 1HD LYS 19 9.433 -5.831 1.404
157 HD3 LYS 19 2HD LYS 19 9.500 -5.732 -0.358
158 HE2 LYS 19 1HE LYS 19 11.312 -7.516 -0.391
159 HE3 LYS 19 2HE LYS 19 11.257 -7.605 1.376
160 HZ1 LYS 19 2HZ LYS 19 9.919 -9.309 0.330
161 HZ3 LYS 19 1HZ LYS 19 9.005 -8.208 -0.461
162 H GLU 20 H GLU 20 11.938 -0.304 -0.622
163 HA GLU 20 HA GLU 20 13.813 -1.525 -2.572
164 HB2 GLU 20 1HB GLU 20 11.647 -0.709 -3.402
165 HB3 GLU 20 2HB GLU 20 12.064 0.902 -2.863
166 HG2 GLU 20 1HG GLU 20 13.639 -0.738 -4.935
167 HG3 GLU 20 2HG GLU 20 12.291 0.320 -5.349
168 HE2 GLU 20 HE2 GLU 20 12.449 2.463 -4.739
169 HN1 NH2 21 2HN NH2 21 14.364 1.137 -0.095
170 HN2 NH2 21 1HN NH2 21 13.533 1.827 -1.497
Start of MODEL 9
1 H1 ACE 1 3HA ACE 1 -12.711 -4.657 -3.403
2 H2 ACE 1 1HA ACE 1 -13.507 -4.853 -1.824
3 H3 ACE 1 2HA ACE 1 -11.755 -4.507 -1.909
4 H GLU 1 H GLU 1 -14.127 -3.012 -0.735
5 HA GLU 1 HA GLU 1 -14.612 -0.618 -2.074
6 HB2 GLU 1 2HB GLU 1 -14.755 -1.087 0.951
7 HB3 GLU 1 1HB GLU 1 -15.528 0.189 0.067
8 HG2 GLU 1 1HG GLU 1 -17.289 -1.181 0.380
9 HG3 GLU 1 2HG GLU 1 -16.859 -1.426 -1.303
10 HE2 GLU 1 HE2 GLU 1 -16.480 -2.640 1.872
11 H SER 2 H SER 2 -14.328 1.453 -0.371
12 HA SER 2 HA SER 2 -11.923 2.751 -1.134
13 HB2 SER 2 2HB SER 2 -14.066 3.841 -0.324
14 HB3 SER 2 1HB SER 2 -13.489 3.555 1.296
15 HG SER 2 HG SER 2 -12.909 5.602 0.511
16 H ALA 3 H ALA 3 -12.641 1.505 2.036
17 HA ALA 3 HA ALA 3 -9.790 1.800 2.931
18 HB1 ALA 3 3HB ALA 3 -12.161 0.471 4.423
19 HB2 ALA 3 1HB ALA 3 -10.604 0.942 5.164
20 HB3 ALA 3 2HB ALA 3 -11.711 2.202 4.550
21 H LYS 4 H LYS 4 -10.662 -0.058 1.002
22 HA LYS 4 HA LYS 4 -8.602 -2.107 1.452
23 HB2 LYS 4 2HB LYS 4 -11.041 -3.026 1.941
24 HB3 LYS 4 1HB LYS 4 -11.331 -2.888 0.212
25 HG2 LYS 4 2HG LYS 4 -9.541 -4.606 -0.230
26 HG3 LYS 4 1HG LYS 4 -9.122 -4.644 1.483
27 HD2 LYS 4 1HD LYS 4 -11.403 -5.503 2.055
28 HD3 LYS 4 2HD LYS 4 -11.911 -5.418 0.378
29 HE2 LYS 4 1HE LYS 4 -9.604 -7.212 1.417
30 HE3 LYS 4 2HE LYS 4 -11.272 -7.743 1.219
31 HZ1 LYS 4 2HZ LYS 4 -9.565 -6.737 -0.986
32 HZ3 LYS 4 1HZ LYS 4 -11.114 -7.234 -1.147
33 H HIS 5 H HIS 5 -9.368 0.209 -0.269
34 HA HIS 5 HA HIS 5 -7.620 -0.495 -2.605
35 HB2 HIS 5 2HB HIS 5 -10.030 0.198 -3.214
36 HB3 HIS 5 1HB HIS 5 -9.746 1.764 -2.461
37 HD2 HIS 5 HD2 HIS 5 -7.669 -0.433 -5.031
38 HE1 HIS 5 HE1 HIS 5 -7.921 3.400 -6.629
39 HE2 HIS 5 HE2 HIS 5 -6.951 1.065 -7.102
40 H MET 6 H MET 6 -8.149 1.808 0.043
41 HA MET 6 HA MET 6 -5.710 3.372 -0.629
42 HB2 MET 6 2HB MET 6 -6.169 4.721 1.416
43 HB3 MET 6 1HB MET 6 -7.520 4.810 0.290
44 HG2 MET 6 2HG MET 6 -8.987 3.703 1.738
45 HG3 MET 6 1HG MET 6 -7.709 2.868 2.629
46 HE1 MET 6 3HE MET 6 -9.193 3.668 4.790
47 HE2 MET 6 1HE MET 6 -10.279 4.701 3.811
48 HE3 MET 6 2HE MET 6 -9.434 5.385 5.231
49 H PHE 7 H PHE 7 -6.961 1.066 1.797
50 HA PHE 7 HA PHE 7 -4.399 0.704 3.158
51 HB2 PHE 7 1HB PHE 7 -7.108 -0.606 3.091
52 HB3 PHE 7 2HB PHE 7 -5.861 -1.644 3.689
53 HD1 PHE 7 HD2 PHE 7 -4.556 -0.951 5.787
54 HD2 PHE 7 HD1 PHE 7 -7.942 1.314 4.398
55 HE1 PHE 7 HE2 PHE 7 -4.695 0.171 7.946
56 HE2 PHE 7 HE1 PHE 7 -8.082 2.432 6.554
57 HZ PHE 7 HZ PHE 7 -6.463 1.877 8.368
58 H ASP 8 H ASP 8 -5.998 -1.011 0.525
59 HA ASP 8 HA ASP 8 -4.062 -3.079 0.020
60 HB2 ASP 8 2HB ASP 8 -6.290 -2.772 -1.119
61 HB3 ASP 8 1HB ASP 8 -5.604 -1.596 -2.196
62 HD2 ASP 8 HD2 ASP 8 -4.220 -2.222 -3.665
63 H ARG 9 H ARG 9 -4.248 0.200 -1.405
64 HA ARG 9 HA ARG 9 -1.668 0.152 -2.787
65 HB2 ARG 9 2HB ARG 9 -3.435 2.533 -1.946
66 HB3 ARG 9 1HB ARG 9 -1.877 2.773 -2.722
67 HG2 ARG 9 1HG ARG 9 -2.565 1.511 -4.733
68 HG3 ARG 9 2HG ARG 9 -4.129 1.116 -4.020
69 HD2 ARG 9 1HD ARG 9 -4.809 3.511 -3.986
70 HD3 ARG 9 2HD ARG 9 -3.191 4.021 -4.506
71 HH11 ARG 9 1HH2 ARG 9 -4.779 5.485 -5.370
72 HH12 ARG 9 2HH2 ARG 9 -5.391 5.965 -7.032
73 HH21 ARG 9 2HH1 ARG 9 -4.955 2.813 -8.349
74 HH22 ARG 9 1HH1 ARG 9 -5.483 4.552 -8.603
75 H ILE 10 H ILE 10 -2.541 1.821 0.301
76 HA ILE 10 HA ILE 10 0.033 2.651 1.109
77 HB ILE 10 HB ILE 10 -2.474 1.747 2.495
78 HG12 ILE 10 2HG1 ILE 10 -1.208 4.538 2.318
79 HG13 ILE 10 1HG1 ILE 10 -2.304 3.908 1.112
80 HG21 ILE 10 1HG2 ILE 10 -0.897 1.224 4.221
81 HG22 ILE 10 2HG2 ILE 10 -1.870 2.620 4.676
82 HG23 ILE 10 3HG2 ILE 10 -0.176 2.865 4.126
83 HD11 ILE 10 3HD1 ILE 10 -4.097 3.561 2.875
84 HD12 ILE 10 1HD1 ILE 10 -3.075 4.495 3.996
85 HD13 ILE 10 2HD1 ILE 10 -3.678 5.245 2.479
86 H GLY 11 H GLY 11 -1.406 -0.483 1.640
87 HA2 GLY 11 1HA GLY 11 0.669 -1.810 3.097
88 HA3 GLY 11 2HA GLY 11 -0.493 -2.650 2.022
89 H LYS 12 H LYS 12 0.585 -1.186 -0.288
90 HA LYS 12 HA LYS 12 3.417 -2.096 -0.592
91 HB2 LYS 12 2HB LYS 12 3.033 -3.333 -2.712
92 HB3 LYS 12 1HB LYS 12 2.136 -4.060 -1.397
93 HG2 LYS 12 2HG LYS 12 0.020 -2.908 -2.208
94 HG3 LYS 12 1HG LYS 12 0.916 -2.210 -3.555
95 HD2 LYS 12 2HD LYS 12 1.436 -4.520 -4.418
96 HD3 LYS 12 1HD LYS 12 0.608 -5.240 -3.032
97 HE2 LYS 12 1HE LYS 12 -1.571 -4.140 -3.753
98 HE3 LYS 12 2HE LYS 12 -0.748 -3.425 -5.147
99 HZ1 LYS 12 2HZ LYS 12 -1.894 -5.466 -5.702
100 HZ3 LYS 12 1HZ LYS 12 -1.042 -6.328 -4.604
101 H ASP 13 H ASP 13 2.516 0.453 -0.226
102 HA ASP 13 HA ASP 13 3.870 1.766 -2.565
103 HB2 ASP 13 1HB ASP 13 1.284 2.289 -2.196
104 HB3 ASP 13 2HB ASP 13 1.834 3.138 -0.806
105 HD2 ASP 13 HD2 ASP 13 1.975 2.953 -4.167
106 H VAL 14 H VAL 14 3.091 2.112 0.882
107 HA VAL 14 HA VAL 14 5.988 2.927 1.138
108 HB VAL 14 HB VAL 14 5.693 4.249 3.045
109 HG11 VAL 14 1HG1 VAL 14 3.888 5.191 0.746
110 HG12 VAL 14 2HG1 VAL 14 4.714 6.248 1.938
111 HG13 VAL 14 3HG1 VAL 14 5.663 5.256 0.785
112 HG21 VAL 14 3HG2 VAL 14 3.594 3.253 4.047
113 HG22 VAL 14 1HG2 VAL 14 2.626 3.899 2.704
114 HG23 VAL 14 2HG2 VAL 14 3.407 5.017 3.867
115 H TYR 15 H TYR 15 5.143 0.832 0.817
116 HA TYR 15 HA TYR 15 6.624 -0.808 2.857
117 HB2 TYR 15 1HB TYR 15 4.237 -1.512 3.119
118 HB3 TYR 15 2HB TYR 15 4.143 -1.791 1.396
119 HD1 TYR 15 HD1 TYR 15 5.928 -2.939 4.513
120 HD2 TYR 15 HD2 TYR 15 4.972 -3.918 0.435
121 HE1 TYR 15 HE1 TYR 15 6.918 -5.161 4.813
122 HE2 TYR 15 HE2 TYR 15 5.969 -6.134 0.739
123 HH TYR 15 HH TYR 15 7.414 -7.113 3.853
124 H ASP 16 H ASP 16 5.632 -0.289 -0.525
125 HA ASP 16 HA ASP 16 7.915 -1.989 -1.446
126 HB2 ASP 16 2HB ASP 16 5.667 -2.051 -2.728
127 HB3 ASP 16 1HB ASP 16 6.037 -0.408 -3.206
128 HD2 ASP 16 HD2 ASP 16 7.513 -0.046 -4.643
129 H LYS 17 H LYS 17 7.149 1.474 -1.056
130 HA LYS 17 HA LYS 17 9.666 2.290 -2.359
131 HB2 LYS 17 1HB LYS 17 7.760 3.822 -0.486
132 HB3 LYS 17 2HB LYS 17 9.212 4.540 -1.158
133 HG2 LYS 17 1HG LYS 17 8.421 4.328 -3.467
134 HG3 LYS 17 2HG LYS 17 7.023 3.377 -2.979
135 HD2 LYS 17 1HD LYS 17 6.149 5.341 -1.629
136 HD3 LYS 17 2HD LYS 17 7.527 6.309 -2.167
137 HE2 LYS 17 2HE LYS 17 6.775 6.012 -4.587
138 HE3 LYS 17 1HE LYS 17 5.398 5.045 -4.035
139 HZ1 LYS 17 2HZ LYS 17 5.921 7.880 -3.331
140 HZ3 LYS 17 1HZ LYS 17 4.812 7.347 -4.408
141 H VAL 18 H VAL 18 8.915 0.884 0.788
142 HA VAL 18 HA VAL 18 11.340 1.989 2.050
143 HB VAL 18 HB VAL 18 10.733 1.244 4.056
144 HG11 VAL 18 1HG1 VAL 18 8.453 2.146 4.638
145 HG12 VAL 18 2HG1 VAL 18 9.282 3.184 3.450
146 HG13 VAL 18 3HG1 VAL 18 8.013 2.063 2.920
147 HG21 VAL 18 3HG2 VAL 18 8.766 -0.209 4.762
148 HG22 VAL 18 1HG2 VAL 18 8.686 -0.700 3.049
149 HG23 VAL 18 2HG2 VAL 18 10.143 -1.017 3.994
150 H LYS 19 H LYS 19 9.953 -1.122 1.360
151 HA LYS 19 HA LYS 19 12.312 -2.721 1.769
152 HB2 LYS 19 1HB LYS 19 9.901 -3.501 1.523
153 HB3 LYS 19 2HB LYS 19 10.030 -3.304 -0.222
154 HG2 LYS 19 2HG LYS 19 11.802 -5.098 -0.282
155 HG3 LYS 19 1HG LYS 19 11.782 -5.198 1.482
156 HD2 LYS 19 1HD LYS 19 9.342 -5.889 1.411
157 HD3 LYS 19 2HD LYS 19 9.368 -5.799 -0.353
158 HE2 LYS 19 1HE LYS 19 11.144 -7.617 -0.421
159 HE3 LYS 19 2HE LYS 19 11.130 -7.698 1.348
160 HZ1 LYS 19 2HZ LYS 19 9.735 -9.380 0.341
161 HZ3 LYS 19 1HZ LYS 19 8.825 -8.265 -0.433
162 H GLU 20 H GLU 20 11.909 -0.417 -0.688
163 HA GLU 20 HA GLU 20 13.707 -1.690 -2.682
164 HB2 GLU 20 1HB GLU 20 11.561 -0.848 -3.515
165 HB3 GLU 20 2HB GLU 20 11.978 0.749 -2.932
166 HG2 GLU 20 2HG GLU 20 13.904 0.870 -4.564
167 HG3 GLU 20 1HG GLU 20 13.547 -0.770 -5.110
168 HE2 GLU 20 HE2 GLU 20 11.324 2.403 -6.283
169 HN1 NH2 21 2HN NH2 21 13.500 1.679 -1.649
170 HN2 NH2 21 1HN NH2 21 14.369 1.001 -0.264
Start of MODEL 10
1 H1 ACE 1 3HA ACE 1 -12.968 -4.612 -0.594
2 H2 ACE 1 1HA ACE 1 -12.543 -4.887 -2.300
3 H3 ACE 1 2HA ACE 1 -14.255 -4.741 -1.828
4 H GLU 1 H GLU 1 -14.567 -2.642 -0.497
5 HA GLU 1 HA GLU 1 -14.438 -0.470 -2.264
6 HB2 GLU 1 1HB GLU 1 -15.276 -0.563 0.694
7 HB3 GLU 1 2HB GLU 1 -15.604 0.755 -0.384
8 HG2 GLU 1 1HG GLU 1 -17.602 -0.312 -0.407
9 HG3 GLU 1 2HG GLU 1 -16.886 -0.708 -1.956
10 HE2 GLU 1 HE2 GLU 1 -17.385 -1.797 1.242
11 H SER 2 H SER 2 -14.183 1.754 -0.515
12 HA SER 2 HA SER 2 -11.637 2.850 -1.041
13 HB2 SER 2 1HB SER 2 -13.757 4.038 -0.261
14 HB3 SER 2 2HB SER 2 -13.253 3.645 1.358
15 HG SER 2 HG SER 2 -11.716 5.065 -0.555
16 H ALA 3 H ALA 3 -12.626 1.391 1.952
17 HA ALA 3 HA ALA 3 -9.880 1.521 3.084
18 HB1 ALA 3 3HB ALA 3 -11.941 1.730 4.572
19 HB2 ALA 3 1HB ALA 3 -10.860 0.430 5.146
20 HB3 ALA 3 2HB ALA 3 -12.335 0.016 4.225
21 H LYS 4 H LYS 4 -10.585 -0.164 0.930
22 HA LYS 4 HA LYS 4 -8.450 -2.136 1.290
23 HB2 LYS 4 2HB LYS 4 -10.822 -3.248 1.779
24 HB3 LYS 4 1HB LYS 4 -11.137 -3.051 0.070
25 HG2 LYS 4 1HG LYS 4 -10.500 -5.373 0.585
26 HG3 LYS 4 2HG LYS 4 -9.332 -4.666 -0.501
27 HD2 LYS 4 2HD LYS 4 -8.160 -6.019 1.117
28 HD3 LYS 4 1HD LYS 4 -7.702 -4.344 1.380
29 HE2 LYS 4 1HE LYS 4 -9.300 -4.220 3.365
30 HE3 LYS 4 2HE LYS 4 -9.792 -5.895 3.072
31 HZ1 LYS 4 2HZ LYS 4 -8.099 -5.713 4.771
32 HZ3 LYS 4 1HZ LYS 4 -7.052 -4.978 3.752
33 H HIS 5 H HIS 5 -9.281 0.194 -0.261
34 HA HIS 5 HA HIS 5 -7.631 -0.368 -2.717
35 HB2 HIS 5 1HB HIS 5 -9.843 1.777 -2.328
36 HB3 HIS 5 2HB HIS 5 -8.717 1.828 -3.668
37 HD2 HIS 5 HD2 HIS 5 -8.787 -1.405 -4.442
38 HE1 HIS 5 HE1 HIS 5 -12.673 -0.439 -5.570
39 HE2 HIS 5 HE2 HIS 5 -10.826 -2.191 -5.943
40 H MET 6 H MET 6 -8.169 1.979 -0.050
41 HA MET 6 HA MET 6 -5.667 3.427 -0.705
42 HB2 MET 6 2HB MET 6 -7.282 3.778 1.910
43 HB3 MET 6 1HB MET 6 -6.121 4.880 1.194
44 HG2 MET 6 1HG MET 6 -8.024 4.791 -0.830
45 HG3 MET 6 2HG MET 6 -9.054 4.481 0.551
46 HE1 MET 6 3HE MET 6 -9.863 6.258 2.263
47 HE2 MET 6 1HE MET 6 -8.910 7.700 2.722
48 HE3 MET 6 2HE MET 6 -8.257 6.065 3.035
49 H PHE 7 H PHE 7 -6.941 1.100 1.706
50 HA PHE 7 HA PHE 7 -4.377 0.726 3.073
51 HB2 PHE 7 1HB PHE 7 -7.067 -0.648 2.981
52 HB3 PHE 7 2HB PHE 7 -5.802 -1.607 3.639
53 HD1 PHE 7 HD1 PHE 7 -7.978 1.327 4.173
54 HD2 PHE 7 HD2 PHE 7 -4.642 -0.856 5.790
55 HE1 PHE 7 HE1 PHE 7 -8.262 2.478 6.299
56 HE2 PHE 7 HE2 PHE 7 -4.921 0.303 7.920
57 HZ PHE 7 HZ PHE 7 -6.738 1.982 8.211
58 H ASP 8 H ASP 8 -6.007 -0.906 0.402
59 HA ASP 8 HA ASP 8 -4.119 -3.030 -0.111
60 HB2 ASP 8 1HB ASP 8 -6.335 -2.662 -1.235
61 HB3 ASP 8 2HB ASP 8 -5.622 -1.500 -2.317
62 HD2 ASP 8 HD2 ASP 8 -4.222 -2.167 -3.768
63 H ARG 9 H ARG 9 -4.231 0.260 -1.514
64 HA ARG 9 HA ARG 9 -1.650 0.185 -2.886
65 HB2 ARG 9 1HB ARG 9 -3.326 2.606 -1.973
66 HB3 ARG 9 2HB ARG 9 -1.806 2.793 -2.833
67 HG2 ARG 9 2HG ARG 9 -2.651 1.619 -4.826
68 HG3 ARG 9 1HG ARG 9 -4.152 1.185 -4.012
69 HD2 ARG 9 1HD ARG 9 -4.759 3.638 -3.785
70 HD3 ARG 9 2HD ARG 9 -3.257 4.083 -4.617
71 HH11 ARG 9 1HH2 ARG 9 -5.055 5.545 -5.147
72 HH12 ARG 9 2HH2 ARG 9 -6.022 5.987 -6.642
73 HH21 ARG 9 1HH1 ARG 9 -5.803 2.825 -7.992
74 HH22 ARG 9 2HH1 ARG 9 -6.416 4.548 -8.143
75 H ILE 10 H ILE 10 -2.505 1.844 0.214
76 HA ILE 10 HA ILE 10 0.082 2.617 1.041
77 HB ILE 10 HB ILE 10 -2.446 1.749 2.414
78 HG12 ILE 10 2HG1 ILE 10 -1.135 4.520 2.258
79 HG13 ILE 10 1HG1 ILE 10 -2.237 3.916 1.044
80 HG21 ILE 10 1HG2 ILE 10 -0.883 1.188 4.138
81 HG22 ILE 10 2HG2 ILE 10 -0.128 2.813 4.051
82 HG23 ILE 10 3HG2 ILE 10 -1.826 2.602 4.603
83 HD11 ILE 10 3HD1 ILE 10 -3.592 5.267 2.419
84 HD12 ILE 10 1HD1 ILE 10 -4.043 3.586 2.791
85 HD13 ILE 10 2HD1 ILE 10 -3.011 4.489 3.930
86 H GLY 11 H GLY 11 -1.419 -0.491 1.526
87 HA2 GLY 11 2HA GLY 11 0.594 -1.882 3.002
88 HA3 GLY 11 1HA GLY 11 -0.548 -2.688 1.879
89 H LYS 12 H LYS 12 0.571 -1.232 -0.401
90 HA LYS 12 HA LYS 12 3.420 -2.102 -0.628
91 HB2 LYS 12 1HB LYS 12 1.844 -4.050 -1.413
92 HB3 LYS 12 2HB LYS 12 1.389 -3.035 -2.776
93 HG2 LYS 12 1HG LYS 12 3.792 -3.014 -3.553
94 HG3 LYS 12 2HG LYS 12 4.283 -3.906 -2.111
95 HD2 LYS 12 2HD LYS 12 2.843 -5.872 -2.858
96 HD3 LYS 12 1HD LYS 12 2.349 -4.951 -4.271
97 HE2 LYS 12 1HE LYS 12 4.069 -6.459 -5.016
98 HE3 LYS 12 2HE LYS 12 4.776 -4.846 -5.059
99 HZ1 LYS 12 2HZ LYS 12 6.258 -6.484 -4.100
100 HZ3 LYS 12 1HZ LYS 12 5.186 -6.883 -2.933
101 H ASP 13 H ASP 13 2.544 0.396 -0.289
102 HA ASP 13 HA ASP 13 3.901 1.725 -2.607
103 HB2 ASP 13 2HB ASP 13 1.305 2.196 -2.276
104 HB3 ASP 13 1HB ASP 13 1.812 3.071 -0.884
105 HD2 ASP 13 HD2 ASP 13 3.094 5.810 -2.585
106 H VAL 14 H VAL 14 3.068 2.036 0.828
107 HA VAL 14 HA VAL 14 5.936 2.923 1.141
108 HB VAL 14 HB VAL 14 5.572 4.240 3.041
109 HG11 VAL 14 3HG2 VAL 14 5.547 5.243 0.771
110 HG12 VAL 14 1HG2 VAL 14 3.774 5.144 0.721
111 HG13 VAL 14 2HG2 VAL 14 4.571 6.215 1.919
112 HG21 VAL 14 1HG1 VAL 14 3.483 3.193 4.008
113 HG22 VAL 14 2HG1 VAL 14 3.254 4.951 3.823
114 HG23 VAL 14 3HG1 VAL 14 2.521 3.812 2.650
115 H TYR 15 H TYR 15 5.127 0.813 0.802
116 HA TYR 15 HA TYR 15 6.595 -0.834 2.856
117 HB2 TYR 15 1HB TYR 15 4.219 -1.559 3.088
118 HB3 TYR 15 2HB TYR 15 4.127 -1.794 1.359
119 HD1 TYR 15 HD1 TYR 15 5.905 -3.024 4.449
120 HD2 TYR 15 HD2 TYR 15 4.954 -3.894 0.345
121 HE1 TYR 15 HE1 TYR 15 6.907 -5.246 4.686
122 HE2 TYR 15 HE2 TYR 15 5.963 -6.110 0.585
123 HH TYR 15 HH TYR 15 7.413 -7.170 3.671
124 H ASP 16 H ASP 16 5.634 -0.285 -0.533
125 HA ASP 16 HA ASP 16 7.948 -1.950 -1.450
126 HB2 ASP 16 2HB ASP 16 5.697 -1.972 -2.768
127 HB3 ASP 16 1HB ASP 16 6.132 -0.347 -3.248
128 HD2 ASP 16 HD2 ASP 16 6.944 -3.617 -3.343
129 H LYS 17 H LYS 17 7.155 1.499 -1.030
130 HA LYS 17 HA LYS 17 9.673 2.351 -2.277
131 HB2 LYS 17 2HB LYS 17 7.666 3.813 -2.105
132 HB3 LYS 17 1HB LYS 17 7.776 3.859 -0.360
133 HG2 LYS 17 2HG LYS 17 10.131 4.831 -2.094
134 HG3 LYS 17 1HG LYS 17 8.688 5.818 -1.954
135 HD2 LYS 17 1HD LYS 17 8.883 5.927 0.516
136 HD3 LYS 17 2HD LYS 17 10.303 4.903 0.516
137 HE2 LYS 17 1HE LYS 17 10.146 7.664 -0.879
138 HE3 LYS 17 2HE LYS 17 10.764 7.395 0.748
139 HZ1 LYS 17 2HZ LYS 17 12.548 7.484 -0.813
140 HZ3 LYS 17 1HZ LYS 17 12.494 5.992 -0.146
141 H VAL 18 H VAL 18 8.895 0.907 0.853
142 HA VAL 18 HA VAL 18 11.312 1.973 2.159
143 HB VAL 18 HB VAL 18 10.696 1.183 4.141
144 HG11 VAL 18 3HG2 VAL 18 9.243 3.131 3.555
145 HG12 VAL 18 1HG2 VAL 18 8.422 2.077 4.734
146 HG13 VAL 18 2HG2 VAL 18 7.973 2.013 3.017
147 HG21 VAL 18 1HG1 VAL 18 8.652 -0.745 3.097
148 HG22 VAL 18 2HG1 VAL 18 8.740 -0.287 4.819
149 HG23 VAL 18 3HG1 VAL 18 10.113 -1.079 4.029
150 H LYS 19 H LYS 19 9.940 -1.119 1.385
151 HA LYS 19 HA LYS 19 12.289 -2.730 1.781
152 HB2 LYS 19 1HB LYS 19 9.885 -3.504 1.476
153 HB3 LYS 19 2HB LYS 19 10.038 -3.257 -0.260
154 HG2 LYS 19 1HG LYS 19 11.812 -5.048 -0.346
155 HG3 LYS 19 2HG LYS 19 11.766 -5.199 1.413
156 HD2 LYS 19 2HD LYS 19 9.328 -5.888 1.287
157 HD3 LYS 19 1HD LYS 19 9.379 -5.747 -0.473
158 HE2 LYS 19 1HE LYS 19 11.158 -7.562 -0.567
159 HE3 LYS 19 2HE LYS 19 11.118 -7.694 1.198
160 HZ1 LYS 19 2HZ LYS 19 9.739 -9.346 0.122
161 HZ3 LYS 19 1HZ LYS 19 8.839 -8.209 -0.633
162 H GLU 20 H GLU 20 11.922 -0.362 -0.628
163 HA GLU 20 HA GLU 20 13.737 -1.586 -2.638
164 HB2 GLU 20 2HB GLU 20 11.622 -0.677 -3.475
165 HB3 GLU 20 1HB GLU 20 12.039 0.875 -2.798
166 HG2 GLU 20 1HG GLU 20 12.416 0.979 -5.174
167 HG3 GLU 20 2HG GLU 20 13.975 1.098 -4.374
168 HE2 GLU 20 HE2 GLU 20 11.841 -0.879 -6.099
169 HN1 NH2 21 2HN NH2 21 14.410 0.975 -0.098
170 HN2 NH2 21 1HN NH2 21 13.583 1.740 -1.460
Start of MODEL 11
1 H1 ACE 1 3HA ACE 1 -14.258 -4.713 -1.602
2 H2 ACE 1 1HA ACE 1 -12.616 -4.866 -2.275
3 H3 ACE 1 2HA ACE 1 -12.833 -4.610 -0.528
4 H GLU 1 H GLU 1 -14.526 -2.639 -0.331
5 HA GLU 1 HA GLU 1 -14.469 -0.465 -2.096
6 HB2 GLU 1 1HB GLU 1 -15.207 -0.554 0.889
7 HB3 GLU 1 2HB GLU 1 -15.585 0.753 -0.185
8 HG2 GLU 1 2HG GLU 1 -17.568 -0.334 -0.127
9 HG3 GLU 1 1HG GLU 1 -16.911 -0.724 -1.703
10 HE2 GLU 1 HE2 GLU 1 -16.715 -2.690 -2.200
11 H SER 2 H SER 2 -14.178 1.769 -0.375
12 HA SER 2 HA SER 2 -11.647 2.865 -0.977
13 HB2 SER 2 2HB SER 2 -13.757 4.060 -0.176
14 HB3 SER 2 1HB SER 2 -13.217 3.700 1.439
15 HG SER 2 HG SER 2 -12.503 5.726 0.711
16 H ALA 3 H ALA 3 -12.569 1.465 2.065
17 HA ALA 3 HA ALA 3 -9.799 1.618 3.139
18 HB1 ALA 3 3HB ALA 3 -11.833 1.852 4.668
19 HB2 ALA 3 1HB ALA 3 -10.738 0.564 5.242
20 HB3 ALA 3 2HB ALA 3 -12.230 0.132 4.358
21 H LYS 4 H LYS 4 -10.576 -0.124 1.038
22 HA LYS 4 HA LYS 4 -8.446 -2.118 1.383
23 HB2 LYS 4 1HB LYS 4 -11.309 -2.903 0.479
24 HB3 LYS 4 2HB LYS 4 -9.933 -3.953 0.166
25 HG2 LYS 4 2HG LYS 4 -9.494 -4.170 2.644
26 HG3 LYS 4 1HG LYS 4 -10.917 -3.180 2.979
27 HD2 LYS 4 2HD LYS 4 -12.393 -4.854 1.823
28 HD3 LYS 4 1HD LYS 4 -10.985 -5.854 1.444
29 HE2 LYS 4 1HE LYS 4 -10.528 -6.150 3.931
30 HE3 LYS 4 2HE LYS 4 -11.938 -5.150 4.309
31 HZ1 LYS 4 2HZ LYS 4 -11.980 -7.721 2.827
32 HZ3 LYS 4 1HZ LYS 4 -12.434 -7.502 4.382
33 H HIS 5 H HIS 5 -9.276 0.218 -0.188
34 HA HIS 5 HA HIS 5 -7.673 -0.417 -2.657
35 HB2 HIS 5 2HB HIS 5 -9.864 1.750 -2.274
36 HB3 HIS 5 1HB HIS 5 -8.747 1.785 -3.623
37 HD2 HIS 5 HD2 HIS 5 -8.827 -1.446 -4.374
38 HE1 HIS 5 HE1 HIS 5 -12.710 -0.471 -5.501
39 HE2 HIS 5 HE2 HIS 5 -10.869 -2.230 -5.872
40 H MET 6 H MET 6 -8.135 1.984 -0.028
41 HA MET 6 HA MET 6 -5.637 3.402 -0.768
42 HB2 MET 6 1HB MET 6 -7.202 3.815 1.869
43 HB3 MET 6 2HB MET 6 -6.024 4.882 1.129
44 HG2 MET 6 1HG MET 6 -7.991 4.772 -0.870
45 HG3 MET 6 2HG MET 6 -8.968 4.588 0.581
46 HE1 MET 6 3HE MET 6 -9.263 8.482 -0.316
47 HE2 MET 6 1HE MET 6 -9.111 7.119 -1.464
48 HE3 MET 6 2HE MET 6 -10.186 6.977 -0.037
49 H PHE 7 H PHE 7 -6.875 1.114 1.693
50 HA PHE 7 HA PHE 7 -4.289 0.763 3.031
51 HB2 PHE 7 1HB PHE 7 -6.994 -0.578 3.019
52 HB3 PHE 7 2HB PHE 7 -5.732 -1.556 3.657
53 HD1 PHE 7 HD1 PHE 7 -4.505 -0.796 5.772
54 HD2 PHE 7 HD2 PHE 7 -7.846 1.421 4.209
55 HE1 PHE 7 HE1 PHE 7 -4.715 0.392 7.893
56 HE2 PHE 7 HE2 PHE 7 -8.060 2.601 6.327
57 HZ PHE 7 HZ PHE 7 -6.498 2.103 8.207
58 H ASP 8 H ASP 8 -5.982 -0.906 0.426
59 HA ASP 8 HA ASP 8 -4.120 -3.050 -0.092
60 HB2 ASP 8 1HB ASP 8 -6.362 -2.680 -1.179
61 HB3 ASP 8 2HB ASP 8 -5.655 -1.546 -2.291
62 HD2 ASP 8 HD2 ASP 8 -5.133 -5.541 -2.656
63 H ARG 9 H ARG 9 -4.238 0.215 -1.552
64 HA ARG 9 HA ARG 9 -1.678 0.073 -2.959
65 HB2 ARG 9 1HB ARG 9 -3.210 2.602 -2.090
66 HB3 ARG 9 2HB ARG 9 -1.783 2.645 -3.101
67 HG2 ARG 9 1HG ARG 9 -4.428 1.272 -3.886
68 HG3 ARG 9 2HG ARG 9 -3.941 2.897 -4.346
69 HD2 ARG 9 1HD ARG 9 -1.926 1.963 -5.580
70 HD3 ARG 9 2HD ARG 9 -2.437 0.319 -5.155
71 HH11 ARG 9 2HH1 ARG 9 -1.457 0.416 -7.309
72 HH12 ARG 9 1HH1 ARG 9 -2.001 0.134 -9.038
73 HH21 ARG 9 1HH2 ARG 9 -5.201 1.267 -8.452
74 HH22 ARG 9 2HH2 ARG 9 -3.979 0.584 -9.639
75 H ILE 10 H ILE 10 -2.466 1.814 0.114
76 HA ILE 10 HA ILE 10 0.142 2.580 0.877
77 HB ILE 10 HB ILE 10 -2.365 1.760 2.316
78 HG12 ILE 10 2HG1 ILE 10 -1.035 4.517 2.082
79 HG13 ILE 10 1HG1 ILE 10 -2.166 3.899 0.901
80 HG21 ILE 10 1HG2 ILE 10 -1.695 2.650 4.476
81 HG22 ILE 10 2HG2 ILE 10 -0.006 2.835 3.887
82 HG23 ILE 10 3HG2 ILE 10 -0.774 1.219 4.021
83 HD11 ILE 10 3HD1 ILE 10 -3.938 3.615 2.692
84 HD12 ILE 10 1HD1 ILE 10 -3.484 5.285 2.276
85 HD13 ILE 10 2HD1 ILE 10 -2.877 4.533 3.790
86 H GLY 11 H GLY 11 -1.372 -0.505 1.449
87 HA2 GLY 11 1HA GLY 11 0.647 -1.889 2.921
88 HA3 GLY 11 2HA GLY 11 -0.511 -2.704 1.824
89 H LYS 12 H LYS 12 0.582 -1.299 -0.493
90 HA LYS 12 HA LYS 12 3.426 -2.173 -0.743
91 HB2 LYS 12 2HB LYS 12 1.849 -4.144 -1.463
92 HB3 LYS 12 1HB LYS 12 1.357 -3.157 -2.834
93 HG2 LYS 12 2HG LYS 12 3.754 -3.136 -3.657
94 HG3 LYS 12 1HG LYS 12 4.265 -4.033 -2.225
95 HD2 LYS 12 1HD LYS 12 2.796 -5.972 -2.924
96 HD3 LYS 12 2HD LYS 12 2.271 -5.063 -4.347
97 HE2 LYS 12 1HE LYS 12 4.676 -4.977 -5.181
98 HE3 LYS 12 2HE LYS 12 5.202 -5.887 -3.757
99 HZ1 LYS 12 2HZ LYS 12 3.802 -7.718 -4.453
100 HZ3 LYS 12 1HZ LYS 12 4.880 -7.332 -5.621
101 H ASP 13 H ASP 13 2.567 0.322 -0.447
102 HA ASP 13 HA ASP 13 3.893 1.605 -2.805
103 HB2 ASP 13 1HB ASP 13 1.288 2.074 -2.464
104 HB3 ASP 13 2HB ASP 13 1.813 2.978 -1.100
105 HD2 ASP 13 HD2 ASP 13 2.338 4.372 -4.857
106 H VAL 14 H VAL 14 3.069 1.985 0.624
107 HA VAL 14 HA VAL 14 5.931 2.888 0.914
108 HB VAL 14 HB VAL 14 5.569 4.247 2.775
109 HG11 VAL 14 1HG1 VAL 14 5.545 5.196 0.484
110 HG12 VAL 14 2HG1 VAL 14 3.772 5.093 0.432
111 HG13 VAL 14 3HG1 VAL 14 4.566 6.196 1.604
112 HG21 VAL 14 3HG2 VAL 14 3.244 4.986 3.530
113 HG22 VAL 14 1HG2 VAL 14 3.473 3.236 3.772
114 HG23 VAL 14 2HG2 VAL 14 2.517 3.811 2.390
115 H TYR 15 H TYR 15 5.152 0.778 0.623
116 HA TYR 15 HA TYR 15 6.641 -0.824 2.706
117 HB2 TYR 15 1HB TYR 15 4.267 -1.553 2.965
118 HB3 TYR 15 2HB TYR 15 4.153 -1.811 1.240
119 HD1 TYR 15 HD2 TYR 15 5.976 -2.994 4.320
120 HD2 TYR 15 HD1 TYR 15 4.977 -3.921 0.241
121 HE1 TYR 15 HE2 TYR 15 6.990 -5.209 4.574
122 HE2 TYR 15 HE1 TYR 15 5.995 -6.131 0.498
123 HH TYR 15 HH TYR 15 7.494 -7.142 3.578
124 H ASP 16 H ASP 16 5.603 -0.329 -0.704
125 HA ASP 16 HA ASP 16 7.801 -2.049 -1.738
126 HB2 ASP 16 1HB ASP 16 5.570 -1.866 -2.986
127 HB3 ASP 16 2HB ASP 16 6.037 -0.222 -3.362
128 HD2 ASP 16 HD2 ASP 16 8.227 -1.082 -5.900
129 H LYS 17 H LYS 17 7.162 1.451 -1.270
130 HA LYS 17 HA LYS 17 9.785 2.213 -2.410
131 HB2 LYS 17 2HB LYS 17 7.756 3.735 -2.474
132 HB3 LYS 17 1HB LYS 17 7.795 3.846 -0.725
133 HG2 LYS 17 2HG LYS 17 8.714 5.859 -1.646
134 HG3 LYS 17 1HG LYS 17 10.020 5.019 -0.830
135 HD2 LYS 17 2HD LYS 17 10.869 4.168 -3.056
136 HD3 LYS 17 1HD LYS 17 9.548 4.964 -3.895
137 HE2 LYS 17 1HE LYS 17 11.707 6.431 -2.219
138 HE3 LYS 17 2HE LYS 17 11.794 6.180 -3.960
139 HZ1 LYS 17 2HZ LYS 17 9.690 7.728 -2.561
140 HZ3 LYS 17 1HZ LYS 17 10.942 8.351 -3.408
141 H VAL 18 H VAL 18 8.769 0.780 0.432
142 HA VAL 18 HA VAL 18 10.799 1.919 2.289
143 HB VAL 18 HB VAL 18 8.403 0.223 2.942
144 HG11 VAL 18 1HG1 VAL 18 10.053 -0.804 4.291
145 HG12 VAL 18 2HG1 VAL 18 10.546 0.783 4.969
146 HG13 VAL 18 3HG1 VAL 18 8.903 0.113 5.271
147 HG21 VAL 18 3HG2 VAL 18 9.208 2.976 4.008
148 HG22 VAL 18 1HG2 VAL 18 7.729 2.066 4.425
149 HG23 VAL 18 2HG2 VAL 18 7.957 2.661 2.773
150 H LYS 19 H LYS 19 9.793 -1.249 1.066
151 HA LYS 19 HA LYS 19 12.162 -2.663 1.953
152 HB2 LYS 19 2HB LYS 19 9.878 -3.611 1.279
153 HB3 LYS 19 1HB LYS 19 10.303 -3.348 -0.408
154 HG2 LYS 19 2HG LYS 19 12.207 -4.992 -0.166
155 HG3 LYS 19 1HG LYS 19 11.867 -5.155 1.559
156 HD2 LYS 19 2HD LYS 19 9.558 -6.038 1.019
157 HD3 LYS 19 1HD LYS 19 9.883 -5.902 -0.701
158 HE2 LYS 19 2HE LYS 19 11.485 -7.698 1.257
159 HE3 LYS 19 1HE LYS 19 10.125 -8.245 0.281
160 HZ1 LYS 19 2HZ LYS 19 12.230 -8.756 -0.747
161 HZ3 LYS 19 1HZ LYS 19 12.677 -7.184 -0.790
162 H GLU 20 H GLU 20 11.990 -0.268 -0.447
163 HA GLU 20 HA GLU 20 14.075 -1.363 -2.252
164 HB2 GLU 20 1HB GLU 20 11.995 -0.496 -3.294
165 HB3 GLU 20 2HB GLU 20 12.332 1.046 -2.555
166 HG2 GLU 20 1HG GLU 20 12.940 1.190 -4.875
167 HG3 GLU 20 2HG GLU 20 14.411 1.319 -3.924
168 HE2 GLU 20 HE2 GLU 20 15.880 -1.540 -5.191
169 HN1 NH2 21 2HN NH2 21 13.634 1.921 -1.025
170 HN2 NH2 21 1HN NH2 21 14.333 1.153 0.407
Start of MODEL 12
1 H1 ACE 1 3HA ACE 1 -12.016 -4.434 -2.073
2 H2 ACE 1 1HA ACE 1 -13.511 -4.579 -3.027
3 H3 ACE 1 2HA ACE 1 -13.583 -4.653 -1.250
4 H GLU 1 H GLU 1 -14.318 -2.761 -0.433
5 HA GLU 1 HA GLU 1 -14.703 -0.371 -1.819
6 HB2 GLU 1 1HB GLU 1 -14.737 -0.856 1.212
7 HB3 GLU 1 2HB GLU 1 -15.431 0.527 0.448
8 HG2 GLU 1 1HG GLU 1 -17.045 -0.624 -0.827
9 HG3 GLU 1 2HG GLU 1 -16.436 -2.213 -0.343
10 HE2 GLU 1 HE2 GLU 1 -17.880 -2.208 2.814
11 H SER 2 H SER 2 -14.261 1.646 -0.201
12 HA SER 2 HA SER 2 -11.835 2.874 -1.052
13 HB2 SER 2 2HB SER 2 -13.913 4.053 -0.215
14 HB3 SER 2 1HB SER 2 -13.321 3.765 1.398
15 HG SER 2 HG SER 2 -11.925 5.122 -0.662
16 H ALA 3 H ALA 3 -12.518 1.719 2.170
17 HA ALA 3 HA ALA 3 -9.637 1.916 2.985
18 HB1 ALA 3 3HB ALA 3 -10.426 1.124 5.250
19 HB2 ALA 3 1HB ALA 3 -11.506 2.410 4.644
20 HB3 ALA 3 2HB ALA 3 -12.015 0.694 4.555
21 H LYS 4 H LYS 4 -10.635 0.056 1.111
22 HA LYS 4 HA LYS 4 -8.642 -2.055 1.571
23 HB2 LYS 4 1HB LYS 4 -11.239 -2.818 1.965
24 HB3 LYS 4 2HB LYS 4 -11.295 -2.873 0.210
25 HG2 LYS 4 2HG LYS 4 -9.294 -4.535 0.325
26 HG3 LYS 4 1HG LYS 4 -9.441 -4.512 2.072
27 HD2 LYS 4 1HD LYS 4 -11.581 -5.507 0.068
28 HD3 LYS 4 2HD LYS 4 -10.472 -6.491 0.984
29 HE2 LYS 4 1HE LYS 4 -12.446 -6.746 2.202
30 HE3 LYS 4 2HE LYS 4 -11.561 -5.573 3.173
31 HZ1 LYS 4 2HZ LYS 4 -13.878 -4.982 2.863
32 HZ3 LYS 4 1HZ LYS 4 -13.739 -4.980 1.234
33 H HIS 5 H HIS 5 -9.350 0.259 -0.204
34 HA HIS 5 HA HIS 5 -7.640 -0.581 -2.528
35 HB2 HIS 5 2HB HIS 5 -10.011 0.190 -3.195
36 HB3 HIS 5 1HB HIS 5 -9.633 1.786 -2.551
37 HD2 HIS 5 HD2 HIS 5 -7.954 -0.815 -5.021
38 HE1 HIS 5 HE1 HIS 5 -6.939 2.964 -6.425
39 HE2 HIS 5 HE2 HIS 5 -6.627 0.462 -6.929
40 H MET 6 H MET 6 -8.065 1.804 0.076
41 HA MET 6 HA MET 6 -5.613 3.300 -0.698
42 HB2 MET 6 2HB MET 6 -5.970 4.697 1.331
43 HB3 MET 6 1HB MET 6 -7.355 4.799 0.248
44 HG2 MET 6 2HG MET 6 -8.801 3.752 1.764
45 HG3 MET 6 1HG MET 6 -7.514 2.902 2.627
46 HE1 MET 6 3HE MET 6 -8.890 3.770 4.831
47 HE2 MET 6 1HE MET 6 -9.994 4.801 3.871
48 HE3 MET 6 2HE MET 6 -9.086 5.498 5.245
49 H PHE 7 H PHE 7 -6.840 1.053 1.791
50 HA PHE 7 HA PHE 7 -4.252 0.667 3.092
51 HB2 PHE 7 1HB PHE 7 -7.004 -0.559 3.114
52 HB3 PHE 7 2HB PHE 7 -5.779 -1.641 3.674
53 HD1 PHE 7 HD2 PHE 7 -4.380 -0.981 5.732
54 HD2 PHE 7 HD1 PHE 7 -7.732 1.387 4.434
55 HE1 PHE 7 HE2 PHE 7 -4.416 0.156 7.888
56 HE2 PHE 7 HE1 PHE 7 -7.768 2.521 6.586
57 HZ PHE 7 HZ PHE 7 -6.114 1.921 8.353
58 H ASP 8 H ASP 8 -5.948 -1.059 0.539
59 HA ASP 8 HA ASP 8 -4.062 -3.168 0.009
60 HB2 ASP 8 1HB ASP 8 -6.335 -2.819 -1.053
61 HB3 ASP 8 2HB ASP 8 -5.642 -1.700 -2.185
62 HD2 ASP 8 HD2 ASP 8 -5.713 -4.875 -1.045
63 H ARG 9 H ARG 9 -4.226 0.091 -1.458
64 HA ARG 9 HA ARG 9 -1.686 -0.059 -2.911
65 HB2 ARG 9 1HB ARG 9 -3.162 2.501 -2.057
66 HB3 ARG 9 2HB ARG 9 -1.790 2.473 -3.141
67 HG2 ARG 9 2HG ARG 9 -4.557 1.246 -3.758
68 HG3 ARG 9 1HG ARG 9 -3.955 2.793 -4.286
69 HD2 ARG 9 2HD ARG 9 -3.682 1.482 -6.192
70 HD3 ARG 9 1HD ARG 9 -2.042 1.554 -5.541
71 HH11 ARG 9 2HH1 ARG 9 -1.994 0.376 -7.531
72 HH12 ARG 9 1HH1 ARG 9 -1.680 -1.341 -8.095
73 HH21 ARG 9 1HH2 ARG 9 -3.006 -2.754 -5.246
74 HH22 ARG 9 2HH2 ARG 9 -2.216 -2.995 -6.885
75 H ILE 10 H ILE 10 -2.447 1.709 0.159
76 HA ILE 10 HA ILE 10 0.163 2.493 0.881
77 HB ILE 10 HB ILE 10 -2.324 1.668 2.352
78 HG12 ILE 10 2HG1 ILE 10 -1.004 4.428 2.096
79 HG13 ILE 10 1HG1 ILE 10 -2.146 3.803 0.931
80 HG21 ILE 10 1HG2 ILE 10 -1.643 2.563 4.502
81 HG22 ILE 10 2HG2 ILE 10 -0.719 1.136 4.045
82 HG23 ILE 10 3HG2 ILE 10 0.041 2.755 3.903
83 HD11 ILE 10 3HD1 ILE 10 -3.894 3.516 2.752
84 HD12 ILE 10 1HD1 ILE 10 -2.824 4.452 3.824
85 HD13 ILE 10 2HD1 ILE 10 -3.459 5.185 2.312
86 H GLY 11 H GLY 11 -1.330 -0.598 1.492
87 HA2 GLY 11 1HA GLY 11 0.704 -1.971 2.952
88 HA3 GLY 11 2HA GLY 11 -0.453 -2.791 1.860
89 H LYS 12 H LYS 12 0.618 -1.384 -0.463
90 HA LYS 12 HA LYS 12 3.463 -2.245 -0.736
91 HB2 LYS 12 2HB LYS 12 1.887 -4.229 -1.432
92 HB3 LYS 12 1HB LYS 12 1.373 -3.250 -2.799
93 HG2 LYS 12 1HG LYS 12 3.757 -3.223 -3.653
94 HG3 LYS 12 2HG LYS 12 4.290 -4.117 -2.228
95 HD2 LYS 12 2HD LYS 12 2.814 -6.052 -2.896
96 HD3 LYS 12 1HD LYS 12 2.261 -5.176 -4.315
97 HE2 LYS 12 1HE LYS 12 5.213 -5.969 -3.780
98 HE3 LYS 12 2HE LYS 12 4.081 -6.916 -4.742
99 HZ1 LYS 12 2HZ LYS 12 3.873 -5.088 -6.284
100 HZ3 LYS 12 1HZ LYS 12 5.432 -5.560 -6.144
101 H ASP 13 H ASP 13 2.583 0.244 -0.449
102 HA ASP 13 HA ASP 13 3.885 1.536 -2.813
103 HB2 ASP 13 2HB ASP 13 1.275 1.973 -2.477
104 HB3 ASP 13 1HB ASP 13 1.783 2.884 -1.110
105 HD2 ASP 13 HD2 ASP 13 2.089 2.558 -4.468
106 H VAL 14 H VAL 14 3.041 1.919 0.613
107 HA VAL 14 HA VAL 14 5.892 2.845 0.914
108 HB VAL 14 HB VAL 14 5.498 4.146 2.814
109 HG11 VAL 14 3HG2 VAL 14 3.755 5.019 0.445
110 HG12 VAL 14 1HG2 VAL 14 4.447 6.115 1.688
111 HG13 VAL 14 2HG2 VAL 14 5.521 5.177 0.604
112 HG21 VAL 14 1HG1 VAL 14 3.391 3.097 3.760
113 HG22 VAL 14 2HG1 VAL 14 3.154 4.852 3.562
114 HG23 VAL 14 3HG1 VAL 14 2.451 3.703 2.380
115 H TYR 15 H TYR 15 5.168 0.728 0.609
116 HA TYR 15 HA TYR 15 6.691 -0.817 2.694
117 HB2 TYR 15 2HB TYR 15 4.328 -1.597 2.985
118 HB3 TYR 15 1HB TYR 15 4.215 -1.897 1.266
119 HD1 TYR 15 HD2 TYR 15 6.095 -2.962 4.359
120 HD2 TYR 15 HD1 TYR 15 5.056 -4.017 0.320
121 HE1 TYR 15 HE2 TYR 15 7.165 -5.145 4.653
122 HE2 TYR 15 HE1 TYR 15 6.132 -6.195 0.617
123 HH TYR 15 HH TYR 15 7.263 -7.533 1.992
124 H ASP 16 H ASP 16 5.625 -0.389 -0.701
125 HA ASP 16 HA ASP 16 7.837 -2.109 -1.721
126 HB2 ASP 16 1HB ASP 16 5.583 -2.027 -2.945
127 HB3 ASP 16 2HB ASP 16 6.003 -0.384 -3.374
128 HD2 ASP 16 HD2 ASP 16 7.750 -3.587 -5.150
129 H LYS 17 H LYS 17 7.153 1.390 -1.275
130 HA LYS 17 HA LYS 17 9.790 2.080 -2.501
131 HB2 LYS 17 1HB LYS 17 7.631 3.858 -1.248
132 HB3 LYS 17 2HB LYS 17 9.211 4.457 -1.726
133 HG2 LYS 17 1HG LYS 17 8.861 3.642 -4.080
134 HG3 LYS 17 2HG LYS 17 7.242 3.103 -3.684
135 HD2 LYS 17 2HD LYS 17 8.162 6.054 -3.439
136 HD3 LYS 17 1HD LYS 17 7.545 5.340 -4.908
137 HE2 LYS 17 2HE LYS 17 5.655 6.421 -4.056
138 HE3 LYS 17 1HE LYS 17 5.354 4.728 -3.677
139 HZ1 LYS 17 2HZ LYS 17 4.862 6.202 -1.840
140 HZ3 LYS 17 1HZ LYS 17 6.383 6.798 -1.810
141 H VAL 18 H VAL 18 8.755 0.803 0.338
142 HA VAL 18 HA VAL 18 10.737 2.088 2.156
143 HB VAL 18 HB VAL 18 8.392 0.343 2.872
144 HG11 VAL 18 3HG2 VAL 18 10.071 -0.522 4.300
145 HG12 VAL 18 1HG2 VAL 18 10.486 1.126 4.880
146 HG13 VAL 18 2HG2 VAL 18 8.872 0.403 5.212
147 HG21 VAL 18 1HG1 VAL 18 9.066 3.189 3.776
148 HG22 VAL 18 2HG1 VAL 18 7.624 2.243 4.237
149 HG23 VAL 18 3HG1 VAL 18 7.843 2.743 2.553
150 H LYS 19 H LYS 19 9.833 -1.162 1.058
151 HA LYS 19 HA LYS 19 12.220 -2.468 2.071
152 HB2 LYS 19 1HB LYS 19 9.963 -3.500 1.431
153 HB3 LYS 19 2HB LYS 19 10.403 -3.327 -0.264
154 HG2 LYS 19 1HG LYS 19 12.326 -4.926 0.087
155 HG3 LYS 19 2HG LYS 19 11.986 -4.979 1.819
156 HD2 LYS 19 2HD LYS 19 9.685 -5.937 1.333
157 HD3 LYS 19 1HD LYS 19 10.039 -5.898 -0.398
158 HE2 LYS 19 1HE LYS 19 11.977 -7.505 -0.042
159 HE3 LYS 19 2HE LYS 19 11.636 -7.534 1.695
160 HZ1 LYS 19 2HZ LYS 19 9.422 -8.400 1.178
161 HZ3 LYS 19 1HZ LYS 19 9.736 -8.374 -0.426
162 H GLU 20 H GLU 20 12.029 -0.208 -0.446
163 HA GLU 20 HA GLU 20 14.167 -1.356 -2.150
164 HB2 GLU 20 2HB GLU 20 12.061 -0.654 -3.274
165 HB3 GLU 20 1HB GLU 20 12.347 0.967 -2.682
166 HG2 GLU 20 2HG GLU 20 14.441 1.156 -4.053
167 HG3 GLU 20 1HG GLU 20 14.249 -0.509 -4.606
168 HE2 GLU 20 HE2 GLU 20 12.611 -0.999 -5.884
169 HN1 NH2 21 2HN NH2 21 14.304 1.373 0.316
170 HN2 NH2 21 1HN NH2 21 13.522 1.969 -1.158
Start of MODEL 13
1 H1 ACE 1 3HA ACE 1 -12.375 -2.959 -3.898
2 H2 ACE 1 1HA ACE 1 -13.050 -1.354 -3.555
3 H3 ACE 1 2HA ACE 1 -11.461 -1.823 -2.882
4 H GLU 1 H GLU 1 -14.449 -2.617 -0.394
5 HA GLU 1 HA GLU 1 -14.495 -0.388 -2.094
6 HB2 GLU 1 1HB GLU 1 -15.134 -0.577 0.901
7 HB3 GLU 1 2HB GLU 1 -15.570 0.745 -0.129
8 HG2 GLU 1 2HG GLU 1 -17.532 -0.369 -0.047
9 HG3 GLU 1 1HG GLU 1 -16.904 -0.728 -1.644
10 HE2 GLU 1 HE2 GLU 1 -17.183 -1.867 1.564
11 H SER 2 H SER 2 -14.180 1.806 -0.340
12 HA SER 2 HA SER 2 -11.641 2.886 -0.955
13 HB2 SER 2 2HB SER 2 -13.741 4.106 -0.161
14 HB3 SER 2 1HB SER 2 -13.204 3.750 1.457
15 HG SER 2 HG SER 2 -11.703 5.116 -0.523
16 H ALA 3 H ALA 3 -12.570 1.518 2.099
17 HA ALA 3 HA ALA 3 -9.790 1.641 3.147
18 HB1 ALA 3 3HB ALA 3 -12.233 0.208 4.406
19 HB2 ALA 3 1HB ALA 3 -11.806 1.925 4.692
20 HB3 ALA 3 2HB ALA 3 -10.726 0.627 5.272
21 H LYS 4 H LYS 4 -10.616 -0.121 1.074
22 HA LYS 4 HA LYS 4 -8.513 -2.144 1.451
23 HB2 LYS 4 1HB LYS 4 -11.365 -2.888 0.458
24 HB3 LYS 4 2HB LYS 4 -9.998 -3.978 0.271
25 HG2 LYS 4 2HG LYS 4 -9.734 -4.124 2.781
26 HG3 LYS 4 1HG LYS 4 -11.146 -3.082 2.981
27 HD2 LYS 4 2HD LYS 4 -12.577 -4.783 1.732
28 HD3 LYS 4 1HD LYS 4 -11.161 -5.806 1.541
29 HE2 LYS 4 2HE LYS 4 -12.401 -6.731 3.372
30 HE3 LYS 4 1HE LYS 4 -10.961 -6.006 4.081
31 HZ1 LYS 4 2HZ LYS 4 -12.333 -4.063 4.661
32 HZ3 LYS 4 1HZ LYS 4 -13.658 -4.753 3.997
33 H HIS 5 H HIS 5 -9.294 0.191 -0.164
34 HA HIS 5 HA HIS 5 -7.711 -0.535 -2.623
35 HB2 HIS 5 2HB HIS 5 -10.171 0.193 -3.061
36 HB3 HIS 5 1HB HIS 5 -9.767 1.777 -2.417
37 HD2 HIS 5 HD2 HIS 5 -8.532 -0.718 -5.224
38 HE1 HIS 5 HE1 HIS 5 -7.963 3.126 -6.705
39 HE2 HIS 5 HE2 HIS 5 -7.771 0.649 -7.368
40 H MET 6 H MET 6 -8.169 1.943 -0.054
41 HA MET 6 HA MET 6 -5.671 3.341 -0.838
42 HB2 MET 6 1HB MET 6 -7.217 3.816 1.798
43 HB3 MET 6 2HB MET 6 -6.044 4.865 1.026
44 HG2 MET 6 2HG MET 6 -8.048 4.706 -0.955
45 HG3 MET 6 1HG MET 6 -8.989 4.560 0.516
46 HE1 MET 6 3HE MET 6 -5.768 6.716 -0.717
47 HE2 MET 6 1HE MET 6 -6.566 8.315 -0.781
48 HE3 MET 6 2HE MET 6 -7.131 6.993 -1.845
49 H PHE 7 H PHE 7 -6.903 1.087 1.659
50 HA PHE 7 HA PHE 7 -4.319 0.775 3.011
51 HB2 PHE 7 2HB PHE 7 -7.014 -0.580 3.016
52 HB3 PHE 7 1HB PHE 7 -5.751 -1.548 3.660
53 HD1 PHE 7 HD1 PHE 7 -7.843 1.457 4.183
54 HD2 PHE 7 HD2 PHE 7 -4.539 -0.793 5.776
55 HE1 PHE 7 HE1 PHE 7 -8.053 2.652 6.292
56 HE2 PHE 7 HE2 PHE 7 -4.744 0.411 7.889
57 HZ PHE 7 HZ PHE 7 -6.506 2.146 8.184
58 H ASP 8 H ASP 8 -5.994 -0.924 0.426
59 HA ASP 8 HA ASP 8 -4.148 -3.083 -0.075
60 HB2 ASP 8 1HB ASP 8 -6.382 -2.709 -1.181
61 HB3 ASP 8 2HB ASP 8 -5.663 -1.577 -2.288
62 HD2 ASP 8 HD2 ASP 8 -5.148 -5.572 -2.653
63 H ARG 9 H ARG 9 -4.242 0.162 -1.589
64 HA ARG 9 HA ARG 9 -1.643 -0.047 -2.931
65 HB2 ARG 9 2HB ARG 9 -3.415 2.406 -2.408
66 HB3 ARG 9 1HB ARG 9 -1.743 2.639 -2.847
67 HG2 ARG 9 1HG ARG 9 -2.769 2.794 -4.897
68 HG3 ARG 9 2HG ARG 9 -2.057 1.194 -4.923
69 HD2 ARG 9 1HD ARG 9 -4.407 0.250 -4.318
70 HD3 ARG 9 2HD ARG 9 -5.053 1.881 -4.475
71 HH11 ARG 9 2HH2 ARG 9 -4.759 3.478 -5.948
72 HH12 ARG 9 1HH2 ARG 9 -5.053 3.826 -7.726
73 HH21 ARG 9 1HH1 ARG 9 -4.623 0.543 -8.671
74 HH22 ARG 9 2HH1 ARG 9 -4.981 2.275 -9.161
75 H ILE 10 H ILE 10 -2.490 1.783 0.080
76 HA ILE 10 HA ILE 10 0.104 2.581 0.863
77 HB ILE 10 HB ILE 10 -2.410 1.773 2.292
78 HG12 ILE 10 1HG1 ILE 10 -1.101 4.537 2.003
79 HG13 ILE 10 2HG1 ILE 10 -2.219 3.884 0.832
80 HG21 ILE 10 1HG2 ILE 10 -0.828 1.287 4.024
81 HG22 ILE 10 2HG2 ILE 10 -0.070 2.904 3.854
82 HG23 ILE 10 3HG2 ILE 10 -1.762 2.723 4.437
83 HD11 ILE 10 3HD1 ILE 10 -3.559 5.286 2.159
84 HD12 ILE 10 1HD1 ILE 10 -3.998 3.624 2.621
85 HD13 ILE 10 2HD1 ILE 10 -2.953 4.583 3.698
86 H GLY 11 H GLY 11 -1.388 -0.500 1.481
87 HA2 GLY 11 1HA GLY 11 0.623 -1.824 3.021
88 HA3 GLY 11 2HA GLY 11 -0.511 -2.683 1.934
89 H LYS 12 H LYS 12 0.576 -1.363 -0.423
90 HA LYS 12 HA LYS 12 3.438 -2.230 -0.634
91 HB2 LYS 12 1HB LYS 12 1.291 -3.249 -2.638
92 HB3 LYS 12 2HB LYS 12 3.025 -3.405 -2.867
93 HG2 LYS 12 2HG LYS 12 3.185 -4.865 -0.794
94 HG3 LYS 12 1HG LYS 12 1.446 -4.736 -0.604
95 HD2 LYS 12 1HD LYS 12 1.746 -6.813 -1.597
96 HD3 LYS 12 2HD LYS 12 1.124 -5.833 -2.901
97 HE2 LYS 12 2HE LYS 12 4.144 -6.470 -2.502
98 HE3 LYS 12 1HE LYS 12 3.050 -7.507 -3.410
99 HZ1 LYS 12 2HZ LYS 12 4.220 -6.067 -4.875
100 HZ3 LYS 12 1HZ LYS 12 2.624 -5.724 -4.947
101 H ASP 13 H ASP 13 2.545 0.298 -0.382
102 HA ASP 13 HA ASP 13 3.869 1.521 -2.780
103 HB2 ASP 13 2HB ASP 13 1.280 2.001 -2.445
104 HB3 ASP 13 1HB ASP 13 1.796 2.939 -1.098
105 HD2 ASP 13 HD2 ASP 13 2.997 4.689 -1.406
106 H VAL 14 H VAL 14 3.074 1.982 0.643
107 HA VAL 14 HA VAL 14 5.938 2.893 0.886
108 HB VAL 14 HB VAL 14 5.595 4.288 2.724
109 HG11 VAL 14 1HG1 VAL 14 4.578 6.211 1.525
110 HG12 VAL 14 2HG1 VAL 14 5.544 5.189 0.413
111 HG13 VAL 14 3HG1 VAL 14 3.771 5.085 0.385
112 HG21 VAL 14 3HG2 VAL 14 2.540 3.839 2.380
113 HG22 VAL 14 1HG2 VAL 14 3.276 5.039 3.489
114 HG23 VAL 14 2HG2 VAL 14 3.511 3.294 3.763
115 H TYR 15 H TYR 15 5.163 0.773 0.647
116 HA TYR 15 HA TYR 15 6.682 -0.771 2.748
117 HB2 TYR 15 2HB TYR 15 4.315 -1.508 3.043
118 HB3 TYR 15 1HB TYR 15 4.193 -1.801 1.324
119 HD1 TYR 15 HD2 TYR 15 5.998 -2.934 4.431
120 HD2 TYR 15 HD1 TYR 15 5.061 -3.908 0.349
121 HE1 TYR 15 HE2 TYR 15 7.028 -5.138 4.718
122 HE2 TYR 15 HE1 TYR 15 6.089 -6.108 0.639
123 HH TYR 15 HH TYR 15 7.561 -7.077 3.746
124 H ASP 16 H ASP 16 5.604 -0.366 -0.658
125 HA ASP 16 HA ASP 16 7.805 -2.096 -1.677
126 HB2 ASP 16 2HB ASP 16 5.592 -2.024 -2.919
127 HB3 ASP 16 1HB ASP 16 5.951 -0.350 -3.289
128 HD2 ASP 16 HD2 ASP 16 7.397 0.107 -4.735
129 H LYS 17 H LYS 17 7.153 1.413 -1.280
130 HA LYS 17 HA LYS 17 9.767 2.126 -2.476
131 HB2 LYS 17 2HB LYS 17 7.744 3.654 -2.603
132 HB3 LYS 17 1HB LYS 17 7.817 3.871 -0.866
133 HG2 LYS 17 1HG LYS 17 8.760 5.805 -1.949
134 HG3 LYS 17 2HG LYS 17 10.053 5.001 -1.080
135 HD2 LYS 17 2HD LYS 17 10.877 3.973 -3.238
136 HD3 LYS 17 1HD LYS 17 9.564 4.722 -4.131
137 HE2 LYS 17 1HE LYS 17 11.758 6.277 -2.584
138 HE3 LYS 17 2HE LYS 17 11.829 5.890 -4.301
139 HZ1 LYS 17 2HZ LYS 17 9.848 7.193 -4.670
140 HZ3 LYS 17 1HZ LYS 17 11.021 8.097 -3.979
141 H VAL 18 H VAL 18 8.777 0.792 0.410
142 HA VAL 18 HA VAL 18 10.801 2.011 2.226
143 HB VAL 18 HB VAL 18 8.434 0.301 2.938
144 HG11 VAL 18 1HG1 VAL 18 10.595 0.922 4.929
145 HG12 VAL 18 2HG1 VAL 18 10.111 -0.683 4.290
146 HG13 VAL 18 3HG1 VAL 18 8.963 0.243 5.264
147 HG21 VAL 18 3HG2 VAL 18 7.967 2.730 2.722
148 HG22 VAL 18 1HG2 VAL 18 7.759 2.168 4.388
149 HG23 VAL 18 2HG2 VAL 18 9.226 3.081 3.939
150 H LYS 19 H LYS 19 9.825 -1.198 1.085
151 HA LYS 19 HA LYS 19 12.236 -2.556 1.959
152 HB2 LYS 19 1HB LYS 19 9.957 -3.549 1.405
153 HB3 LYS 19 2HB LYS 19 10.291 -3.312 -0.307
154 HG2 LYS 19 1HG LYS 19 12.143 -4.981 -0.208
155 HG3 LYS 19 2HG LYS 19 12.075 -5.015 1.548
156 HD2 LYS 19 1HD LYS 19 11.031 -7.020 0.760
157 HD3 LYS 19 2HD LYS 19 9.782 -6.024 1.494
158 HE2 LYS 19 2HE LYS 19 9.005 -5.300 -0.828
159 HE3 LYS 19 1HE LYS 19 10.283 -6.283 -1.558
160 HZ1 LYS 19 2HZ LYS 19 8.062 -7.291 0.134
161 HZ3 LYS 19 1HZ LYS 19 8.164 -7.421 -1.492
162 H GLU 20 H GLU 20 12.006 -0.219 -0.445
163 HA GLU 20 HA GLU 20 13.972 -1.333 -2.363
164 HB2 GLU 20 1HB GLU 20 11.905 -0.344 -3.284
165 HB3 GLU 20 2HB GLU 20 12.324 1.164 -2.500
166 HG2 GLU 20 1HG GLU 20 14.389 1.362 -3.956
167 HG3 GLU 20 2HG GLU 20 13.975 -0.165 -4.738
168 HE2 GLU 20 HE2 GLU 20 12.208 -0.269 -5.939
169 HN1 NH2 21 2HN NH2 21 13.729 1.924 -1.017
170 HN2 NH2 21 1HN NH2 21 14.444 1.076 0.358
Start of MODEL 14
1 H1 ACE 1 3HA ACE 1 -13.451 -4.320 0.901
2 H2 ACE 1 1HA ACE 1 -14.879 -4.179 -0.154
3 H3 ACE 1 2HA ACE 1 -13.255 -4.417 -0.865
4 H GLU 1 H GLU 1 -14.831 -2.296 -1.639
5 HA GLU 1 HA GLU 1 -14.272 -0.154 -2.531
6 HB2 GLU 1 2HB GLU 1 -15.450 -0.206 0.292
7 HB3 GLU 1 1HB GLU 1 -15.530 1.178 -0.774
8 HG2 GLU 1 1HG GLU 1 -17.614 0.325 -1.059
9 HG3 GLU 1 2HG GLU 1 -16.763 -0.139 -2.519
10 HE2 GLU 1 HE2 GLU 1 -17.984 -2.898 0.234
11 H SER 2 H SER 2 -14.029 2.010 -0.674
12 HA SER 2 HA SER 2 -11.409 2.957 -1.084
13 HB2 SER 2 1HB SER 2 -13.515 4.201 -0.266
14 HB3 SER 2 2HB SER 2 -13.021 3.729 1.331
15 HG SER 2 HG SER 2 -11.001 4.738 0.946
16 H ALA 3 H ALA 3 -12.549 1.310 1.747
17 HA ALA 3 HA ALA 3 -9.842 1.341 2.993
18 HB1 ALA 3 3HB ALA 3 -10.908 0.165 4.971
19 HB2 ALA 3 1HB ALA 3 -11.948 1.512 4.433
20 HB3 ALA 3 2HB ALA 3 -12.360 -0.173 3.983
21 H LYS 4 H LYS 4 -10.534 -0.251 0.753
22 HA LYS 4 HA LYS 4 -8.390 -2.217 1.078
23 HB2 LYS 4 2HB LYS 4 -10.983 -3.252 1.328
24 HB3 LYS 4 1HB LYS 4 -10.782 -3.429 -0.397
25 HG2 LYS 4 2HG LYS 4 -8.967 -4.612 1.821
26 HG3 LYS 4 1HG LYS 4 -10.252 -5.473 0.989
27 HD2 LYS 4 2HD LYS 4 -8.994 -5.216 -1.210
28 HD3 LYS 4 1HD LYS 4 -7.672 -4.431 -0.335
29 HE2 LYS 4 2HE LYS 4 -7.350 -6.515 1.075
30 HE3 LYS 4 1HE LYS 4 -8.677 -7.308 0.213
31 HZ1 LYS 4 2HZ LYS 4 -6.151 -6.339 -1.004
32 HZ3 LYS 4 1HZ LYS 4 -6.523 -7.897 -0.677
33 H HIS 5 H HIS 5 -9.232 0.134 -0.412
34 HA HIS 5 HA HIS 5 -7.597 -0.380 -2.879
35 HB2 HIS 5 2HB HIS 5 -10.030 0.328 -3.343
36 HB3 HIS 5 1HB HIS 5 -9.730 1.840 -2.495
37 HD2 HIS 5 HD2 HIS 5 -7.905 -0.183 -5.380
38 HE1 HIS 5 HE1 HIS 5 -7.928 3.816 -6.524
39 HE2 HIS 5 HE2 HIS 5 -7.175 1.486 -7.310
40 H MET 6 H MET 6 -8.112 1.915 -0.139
41 HA MET 6 HA MET 6 -5.608 3.367 -0.779
42 HB2 MET 6 2HB MET 6 -7.272 3.636 1.821
43 HB3 MET 6 1HB MET 6 -6.043 4.732 1.218
44 HG2 MET 6 1HG MET 6 -7.914 4.731 -0.894
45 HG3 MET 6 2HG MET 6 -8.950 4.528 0.509
46 HE1 MET 6 3HE MET 6 -9.009 8.479 -0.369
47 HE2 MET 6 1HE MET 6 -8.794 7.139 -1.533
48 HE3 MET 6 2HE MET 6 -10.021 7.013 -0.234
49 H PHE 7 H PHE 7 -6.883 0.999 1.594
50 HA PHE 7 HA PHE 7 -4.313 0.565 2.925
51 HB2 PHE 7 1HB PHE 7 -7.012 -0.795 2.813
52 HB3 PHE 7 2HB PHE 7 -5.747 -1.767 3.450
53 HD1 PHE 7 HD2 PHE 7 -4.573 -1.045 5.610
54 HD2 PHE 7 HD1 PHE 7 -7.931 1.145 4.048
55 HE1 PHE 7 HE2 PHE 7 -4.851 0.073 7.762
56 HE2 PHE 7 HE1 PHE 7 -8.213 2.255 6.196
57 HZ PHE 7 HZ PHE 7 -6.677 1.734 8.091
58 H ASP 8 H ASP 8 -5.972 -0.996 0.226
59 HA ASP 8 HA ASP 8 -4.099 -3.117 -0.347
60 HB2 ASP 8 1HB ASP 8 -6.322 -2.708 -1.446
61 HB3 ASP 8 2HB ASP 8 -5.607 -1.530 -2.507
62 HD2 ASP 8 HD2 ASP 8 -4.232 -2.174 -3.986
63 H ARG 9 H ARG 9 -4.202 0.206 -1.672
64 HA ARG 9 HA ARG 9 -1.631 0.141 -3.064
65 HB2 ARG 9 1HB ARG 9 -3.325 2.538 -2.125
66 HB3 ARG 9 2HB ARG 9 -1.777 2.756 -2.927
67 HG2 ARG 9 2HG ARG 9 -2.542 1.582 -4.960
68 HG3 ARG 9 1HG ARG 9 -4.096 1.193 -4.224
69 HD2 ARG 9 1HD ARG 9 -4.723 3.603 -4.089
70 HD3 ARG 9 2HD ARG 9 -3.113 4.091 -4.652
71 HH11 ARG 9 2HH2 ARG 9 -4.665 5.619 -5.434
72 HH12 ARG 9 1HH2 ARG 9 -5.317 6.157 -7.062
73 HH21 ARG 9 2HH1 ARG 9 -5.041 3.021 -8.460
74 HH22 ARG 9 1HH1 ARG 9 -5.514 4.783 -8.659
75 H ILE 10 H ILE 10 -2.456 1.739 0.077
76 HA ILE 10 HA ILE 10 0.140 2.480 0.899
77 HB ILE 10 HB ILE 10 -2.380 1.594 2.273
78 HG12 ILE 10 1HG1 ILE 10 -1.057 4.363 2.169
79 HG13 ILE 10 2HG1 ILE 10 -2.172 3.793 0.952
80 HG21 ILE 10 1HG2 ILE 10 -1.740 2.394 4.476
81 HG22 ILE 10 2HG2 ILE 10 -0.044 2.609 3.916
82 HG23 ILE 10 3HG2 ILE 10 -0.808 0.986 3.973
83 HD11 ILE 10 3HD1 ILE 10 -3.965 3.430 2.703
84 HD12 ILE 10 1HD1 ILE 10 -2.921 4.302 3.855
85 HD13 ILE 10 2HD1 ILE 10 -3.508 5.117 2.365
86 H GLY 11 H GLY 11 -1.373 -0.630 1.326
87 HA2 GLY 11 2HA GLY 11 0.635 -2.070 2.759
88 HA3 GLY 11 1HA GLY 11 -0.510 -2.841 1.616
89 H LYS 12 H LYS 12 0.602 -1.338 -0.631
90 HA LYS 12 HA LYS 12 3.451 -2.195 -0.890
91 HB2 LYS 12 2HB LYS 12 1.880 -4.136 -1.709
92 HB3 LYS 12 1HB LYS 12 1.405 -3.090 -3.042
93 HG2 LYS 12 1HG LYS 12 3.817 -3.030 -3.825
94 HG3 LYS 12 2HG LYS 12 4.302 -4.003 -2.435
95 HD2 LYS 12 1HD LYS 12 2.831 -5.888 -3.247
96 HD3 LYS 12 2HD LYS 12 2.330 -4.934 -4.634
97 HE2 LYS 12 2HE LYS 12 5.256 -5.784 -4.051
98 HE3 LYS 12 1HE LYS 12 4.148 -6.664 -5.098
99 HZ1 LYS 12 2HZ LYS 12 4.006 -4.754 -6.544
100 HZ3 LYS 12 1HZ LYS 12 5.556 -5.249 -6.380
101 H ASP 13 H ASP 13 2.582 0.284 -0.495
102 HA ASP 13 HA ASP 13 3.929 1.668 -2.782
103 HB2 ASP 13 1HB ASP 13 1.319 2.118 -2.450
104 HB3 ASP 13 2HB ASP 13 1.827 2.963 -1.042
105 HD2 ASP 13 HD2 ASP 13 1.930 2.834 -4.394
106 H VAL 14 H VAL 14 3.064 1.907 0.652
107 HA VAL 14 HA VAL 14 5.924 2.793 1.009
108 HB VAL 14 HB VAL 14 5.542 4.070 2.923
109 HG11 VAL 14 3HG2 VAL 14 5.551 5.116 0.675
110 HG12 VAL 14 1HG2 VAL 14 3.779 5.019 0.594
111 HG13 VAL 14 2HG2 VAL 14 4.558 6.069 1.823
112 HG21 VAL 14 1HG1 VAL 14 3.208 4.783 3.679
113 HG22 VAL 14 2HG1 VAL 14 2.495 3.657 2.481
114 HG23 VAL 14 3HG1 VAL 14 3.432 3.023 3.850
115 H TYR 15 H TYR 15 5.163 0.701 0.618
116 HA TYR 15 HA TYR 15 6.629 -0.990 2.651
117 HB2 TYR 15 1HB TYR 15 4.230 -1.693 2.829
118 HB3 TYR 15 2HB TYR 15 4.164 -1.902 1.096
119 HD1 TYR 15 HD1 TYR 15 5.871 -3.176 4.195
120 HD2 TYR 15 HD2 TYR 15 5.014 -3.993 0.062
121 HE1 TYR 15 HE1 TYR 15 6.783 -5.434 4.454
122 HE2 TYR 15 HE2 TYR 15 5.927 -6.247 0.321
123 HH TYR 15 HH TYR 15 7.230 -7.380 3.451
124 H ASP 16 H ASP 16 5.637 -0.361 -0.741
125 HA ASP 16 HA ASP 16 7.860 -2.030 -1.804
126 HB2 ASP 16 2HB ASP 16 5.651 -1.835 -3.086
127 HB3 ASP 16 1HB ASP 16 6.095 -0.170 -3.387
128 HD2 ASP 16 HD2 ASP 16 6.950 -3.416 -3.819
129 H LYS 17 H LYS 17 7.179 1.448 -1.220
130 HA LYS 17 HA LYS 17 9.832 2.267 -2.281
131 HB2 LYS 17 1HB LYS 17 7.746 3.849 -0.667
132 HB3 LYS 17 2HB LYS 17 9.264 4.531 -1.198
133 HG2 LYS 17 2HG LYS 17 7.101 3.468 -3.119
134 HG3 LYS 17 1HG LYS 17 7.284 5.140 -2.616
135 HD2 LYS 17 2HD LYS 17 9.610 5.204 -3.627
136 HD3 LYS 17 1HD LYS 17 9.410 3.536 -4.175
137 HE2 LYS 17 2HE LYS 17 7.410 4.231 -5.582
138 HE3 LYS 17 1HE LYS 17 7.609 5.904 -5.037
139 HZ1 LYS 17 2HZ LYS 17 9.652 4.341 -6.518
140 HZ3 LYS 17 1HZ LYS 17 9.836 5.886 -6.015
141 H VAL 18 H VAL 18 8.773 0.723 0.466
142 HA VAL 18 HA VAL 18 10.730 1.854 2.405
143 HB VAL 18 HB VAL 18 8.366 0.078 2.949
144 HG11 VAL 18 3HG2 VAL 18 10.475 0.589 5.028
145 HG12 VAL 18 1HG2 VAL 18 10.022 -0.976 4.276
146 HG13 VAL 18 2HG2 VAL 18 8.843 -0.126 5.281
147 HG21 VAL 18 1HG1 VAL 18 7.884 2.517 2.885
148 HG22 VAL 18 2HG1 VAL 18 7.638 1.841 4.504
149 HG23 VAL 18 3HG1 VAL 18 9.108 2.792 4.155
150 H LYS 19 H LYS 19 9.831 -1.287 1.037
151 HA LYS 19 HA LYS 19 12.212 -2.690 1.891
152 HB2 LYS 19 1HB LYS 19 10.066 -3.714 1.130
153 HB3 LYS 19 2HB LYS 19 10.361 -3.226 -0.523
154 HG2 LYS 19 2HG LYS 19 12.420 -5.003 0.920
155 HG3 LYS 19 1HG LYS 19 10.876 -5.700 0.468
156 HD2 LYS 19 2HD LYS 19 11.199 -5.136 -1.918
157 HD3 LYS 19 1HD LYS 19 12.722 -4.335 -1.599
158 HE2 LYS 19 2HE LYS 19 12.186 -7.338 -1.058
159 HE3 LYS 19 1HE LYS 19 12.912 -6.697 -2.530
160 HZ1 LYS 19 2HZ LYS 19 14.062 -6.371 0.183
161 HZ3 LYS 19 1HZ LYS 19 14.719 -5.784 -1.194
162 H GLU 20 H GLU 20 12.014 -0.173 -0.418
163 HA GLU 20 HA GLU 20 14.247 -1.066 -2.147
164 HB2 GLU 20 2HB GLU 20 12.092 -0.255 -3.197
165 HB3 GLU 20 1HB GLU 20 12.460 1.314 -2.527
166 HG2 GLU 20 2HG GLU 20 14.252 -0.245 -4.474
167 HG3 GLU 20 1HG GLU 20 12.993 0.877 -4.985
168 HE2 GLU 20 HE2 GLU 20 13.130 2.975 -4.250
169 HN1 NH2 21 2HN NH2 21 13.490 2.110 -0.808
170 HN2 NH2 21 1HN NH2 21 14.212 1.355 0.621
Start of MODEL 15
1 H1 ACE 1 3HA ACE 1 -12.887 -4.509 -3.341
2 H2 ACE 1 1HA ACE 1 -13.666 -4.698 -1.753
3 H3 ACE 1 2HA ACE 1 -11.908 -4.390 -1.860
4 H GLU 1 H GLU 1 -14.213 -2.851 -0.632
5 HA GLU 1 HA GLU 1 -14.675 -0.438 -1.946
6 HB2 GLU 1 1HB GLU 1 -14.761 -0.914 1.082
7 HB3 GLU 1 2HB GLU 1 -15.523 0.375 0.224
8 HG2 GLU 1 2HG GLU 1 -17.304 -0.954 0.577
9 HG3 GLU 1 1HG GLU 1 -16.929 -1.191 -1.120
10 HE2 GLU 1 HE2 GLU 1 -16.495 -4.182 1.627
11 H SER 2 H SER 2 -14.307 1.619 -0.250
12 HA SER 2 HA SER 2 -11.886 2.861 -1.055
13 HB2 SER 2 2HB SER 2 -13.987 4.002 -0.204
14 HB3 SER 2 1HB SER 2 -13.388 3.698 1.404
15 HG SER 2 HG SER 2 -12.014 5.099 -0.640
16 H ALA 3 H ALA 3 -12.575 1.630 2.127
17 HA ALA 3 HA ALA 3 -9.701 1.851 2.966
18 HB1 ALA 3 3HB ALA 3 -11.581 2.295 4.622
19 HB2 ALA 3 1HB ALA 3 -10.493 1.007 5.212
20 HB3 ALA 3 2HB ALA 3 -12.074 0.575 4.500
21 H LYS 4 H LYS 4 -10.653 0.019 1.049
22 HA LYS 4 HA LYS 4 -8.632 -2.076 1.460
23 HB2 LYS 4 1HB LYS 4 -11.102 -2.933 1.976
24 HB3 LYS 4 2HB LYS 4 -11.381 -2.819 0.243
25 HG2 LYS 4 1HG LYS 4 -9.596 -4.568 -0.153
26 HG3 LYS 4 2HG LYS 4 -9.208 -4.581 1.568
27 HD2 LYS 4 2HD LYS 4 -11.551 -5.412 2.092
28 HD3 LYS 4 1HD LYS 4 -11.956 -5.338 0.387
29 HE2 LYS 4 2HE LYS 4 -11.506 -7.644 0.851
30 HE3 LYS 4 1HE LYS 4 -10.150 -7.076 -0.119
31 HZ1 LYS 4 2HZ LYS 4 -8.853 -6.865 1.918
32 HZ3 LYS 4 1HZ LYS 4 -9.400 -8.393 1.721
33 H HIS 5 H HIS 5 -9.372 0.257 -0.246
34 HA HIS 5 HA HIS 5 -7.676 -0.479 -2.615
35 HB2 HIS 5 2HB HIS 5 -10.102 0.308 -3.135
36 HB3 HIS 5 1HB HIS 5 -9.695 1.874 -2.446
37 HD2 HIS 5 HD2 HIS 5 -8.547 -0.575 -5.297
38 HE1 HIS 5 HE1 HIS 5 -7.394 3.233 -6.512
39 HE2 HIS 5 HE2 HIS 5 -7.492 0.794 -7.316
40 H MET 6 H MET 6 -8.128 1.851 0.042
41 HA MET 6 HA MET 6 -5.653 3.340 -0.661
42 HB2 MET 6 1HB MET 6 -6.043 4.694 1.399
43 HB3 MET 6 2HB MET 6 -7.407 4.824 0.292
44 HG2 MET 6 1HG MET 6 -8.882 3.748 1.755
45 HG3 MET 6 2HG MET 6 -7.614 2.878 2.627
46 HE1 MET 6 3HE MET 6 -9.049 3.707 4.808
47 HE2 MET 6 1HE MET 6 -10.121 4.771 3.848
48 HE3 MET 6 2HE MET 6 -9.240 5.427 5.260
49 H PHE 7 H PHE 7 -6.916 1.060 1.781
50 HA PHE 7 HA PHE 7 -4.343 0.646 3.098
51 HB2 PHE 7 2HB PHE 7 -7.073 -0.617 3.065
52 HB3 PHE 7 1HB PHE 7 -5.839 -1.679 3.642
53 HD1 PHE 7 HD1 PHE 7 -4.493 -1.024 5.726
54 HD2 PHE 7 HD2 PHE 7 -7.844 1.323 4.390
55 HE1 PHE 7 HE1 PHE 7 -4.576 0.095 7.889
56 HE2 PHE 7 HE2 PHE 7 -7.928 2.439 6.550
57 HZ PHE 7 HZ PHE 7 -6.297 1.841 8.340
58 H ASP 8 H ASP 8 -6.007 -1.009 0.475
59 HA ASP 8 HA ASP 8 -4.145 -3.138 -0.074
60 HB2 ASP 8 2HB ASP 8 -6.386 -2.733 -1.186
61 HB3 ASP 8 1HB ASP 8 -5.658 -1.570 -2.253
62 HD2 ASP 8 HD2 ASP 8 -5.163 -5.550 -2.751
63 H ARG 9 H ARG 9 -4.235 0.148 -1.489
64 HA ARG 9 HA ARG 9 -1.634 -0.044 -2.835
65 HB2 ARG 9 1HB ARG 9 -3.464 2.351 -2.325
66 HB3 ARG 9 2HB ARG 9 -1.797 2.646 -2.749
67 HG2 ARG 9 1HG ARG 9 -3.067 2.758 -4.773
68 HG3 ARG 9 2HG ARG 9 -1.947 1.408 -4.850
69 HD2 ARG 9 1HD ARG 9 -3.907 -0.175 -4.301
70 HD3 ARG 9 2HD ARG 9 -5.001 1.218 -4.389
71 HH11 ARG 9 2HH1 ARG 9 -5.287 -1.363 -5.267
72 HH12 ARG 9 1HH1 ARG 9 -5.716 -2.074 -6.903
73 HH21 ARG 9 1HH2 ARG 9 -4.265 0.509 -8.658
74 HH22 ARG 9 2HH2 ARG 9 -5.175 -1.084 -8.692
75 H ILE 10 H ILE 10 -2.499 1.729 0.211
76 HA ILE 10 HA ILE 10 0.087 2.524 1.009
77 HB ILE 10 HB ILE 10 -2.424 1.670 2.416
78 HG12 ILE 10 2HG1 ILE 10 -1.124 4.443 2.201
79 HG13 ILE 10 1HG1 ILE 10 -2.238 3.814 1.010
80 HG21 ILE 10 1HG2 ILE 10 -0.101 2.773 4.020
81 HG22 ILE 10 2HG2 ILE 10 -1.794 2.561 4.586
82 HG23 ILE 10 3HG2 ILE 10 -0.846 1.145 4.140
83 HD11 ILE 10 3HD1 ILE 10 -3.592 5.174 2.369
84 HD12 ILE 10 1HD1 ILE 10 -4.015 3.500 2.802
85 HD13 ILE 10 2HD1 ILE 10 -2.974 4.448 3.893
86 H GLY 11 H GLY 11 -1.392 -0.582 1.565
87 HA2 GLY 11 1HA GLY 11 0.639 -1.921 3.068
88 HA3 GLY 11 2HA GLY 11 -0.506 -2.767 1.981
89 H LYS 12 H LYS 12 0.581 -1.381 -0.346
90 HA LYS 12 HA LYS 12 3.441 -2.223 -0.578
91 HB2 LYS 12 1HB LYS 12 1.850 -4.194 -1.309
92 HB3 LYS 12 2HB LYS 12 1.389 -3.203 -2.687
93 HG2 LYS 12 2HG LYS 12 3.807 -3.199 -3.461
94 HG3 LYS 12 1HG LYS 12 4.273 -4.113 -2.024
95 HD2 LYS 12 1HD LYS 12 2.794 -6.027 -2.773
96 HD3 LYS 12 2HD LYS 12 2.319 -5.100 -4.202
97 HE2 LYS 12 1HE LYS 12 4.748 -5.040 -4.970
98 HE3 LYS 12 2HE LYS 12 5.222 -5.970 -3.541
99 HZ1 LYS 12 2HZ LYS 12 3.751 -7.754 -4.299
100 HZ3 LYS 12 1HZ LYS 12 3.316 -6.895 -5.620
101 H ASP 13 H ASP 13 2.526 0.284 -0.297
102 HA ASP 13 HA ASP 13 3.862 1.566 -2.653
103 HB2 ASP 13 2HB ASP 13 1.266 2.042 -2.322
104 HB3 ASP 13 1HB ASP 13 1.777 2.936 -0.947
105 HD2 ASP 13 HD2 ASP 13 2.413 4.351 -4.685
106 H VAL 14 H VAL 14 3.037 1.981 0.779
107 HA VAL 14 HA VAL 14 5.909 2.874 1.044
108 HB VAL 14 HB VAL 14 5.560 4.233 2.914
109 HG11 VAL 14 3HG2 VAL 14 3.762 5.076 0.571
110 HG12 VAL 14 1HG2 VAL 14 5.534 5.183 0.630
111 HG13 VAL 14 2HG2 VAL 14 4.548 6.181 1.746
112 HG21 VAL 14 1HG1 VAL 14 3.474 3.214 3.918
113 HG22 VAL 14 2HG1 VAL 14 2.507 3.800 2.548
114 HG23 VAL 14 3HG1 VAL 14 3.245 4.967 3.689
115 H TYR 15 H TYR 15 5.126 0.755 0.766
116 HA TYR 15 HA TYR 15 6.620 -0.814 2.861
117 HB2 TYR 15 2HB TYR 15 4.224 -1.518 3.097
118 HB3 TYR 15 1HB TYR 15 4.167 -1.850 1.383
119 HD1 TYR 15 HD2 TYR 15 5.902 -2.876 4.564
120 HD2 TYR 15 HD1 TYR 15 5.017 -4.007 0.510
121 HE1 TYR 15 HE2 TYR 15 6.834 -5.102 4.983
122 HE2 TYR 15 HE1 TYR 15 5.952 -6.229 0.931
123 HH TYR 15 HH TYR 15 6.917 -7.588 2.412
124 H ASP 16 H ASP 16 5.654 -0.393 -0.532
125 HA ASP 16 HA ASP 16 7.988 -2.063 -1.386
126 HB2 ASP 16 1HB ASP 16 5.734 -2.186 -2.687
127 HB3 ASP 16 2HB ASP 16 6.127 -0.573 -3.238
128 HD2 ASP 16 HD2 ASP 16 6.976 -3.828 -3.236
129 H LYS 17 H LYS 17 7.125 1.385 -1.095
130 HA LYS 17 HA LYS 17 9.626 2.248 -2.397
131 HB2 LYS 17 1HB LYS 17 7.650 3.769 -0.593
132 HB3 LYS 17 2HB LYS 17 9.090 4.512 -1.264
133 HG2 LYS 17 1HG LYS 17 8.341 4.207 -3.578
134 HG3 LYS 17 2HG LYS 17 6.961 3.235 -3.080
135 HD2 LYS 17 1HD LYS 17 6.017 5.216 -1.804
136 HD3 LYS 17 2HD LYS 17 7.379 6.203 -2.351
137 HE2 LYS 17 1HE LYS 17 6.673 5.812 -4.772
138 HE3 LYS 17 2HE LYS 17 5.309 4.831 -4.210
139 HZ1 LYS 17 2HZ LYS 17 5.758 7.698 -3.591
140 HZ3 LYS 17 1HZ LYS 17 4.676 7.105 -4.664
141 H VAL 18 H VAL 18 8.881 0.895 0.777
142 HA VAL 18 HA VAL 18 11.233 2.130 2.054
143 HB VAL 18 HB VAL 18 10.642 1.375 4.064
144 HG11 VAL 18 3HG2 VAL 18 7.917 2.107 2.880
145 HG12 VAL 18 1HG2 VAL 18 8.326 2.219 4.604
146 HG13 VAL 18 2HG2 VAL 18 9.149 3.266 3.419
147 HG21 VAL 18 1HG1 VAL 18 8.709 -0.125 4.767
148 HG22 VAL 18 2HG1 VAL 18 8.676 -0.646 3.060
149 HG23 VAL 18 3HG1 VAL 18 10.125 -0.897 4.034
150 H LYS 19 H LYS 19 9.992 -1.059 1.396
151 HA LYS 19 HA LYS 19 12.414 -2.534 1.870
152 HB2 LYS 19 1HB LYS 19 10.092 -3.508 1.558
153 HB3 LYS 19 2HB LYS 19 10.207 -3.217 -0.166
154 HG2 LYS 19 1HG LYS 19 10.578 -5.550 0.263
155 HG3 LYS 19 2HG LYS 19 12.085 -4.883 -0.338
156 HD2 LYS 19 2HD LYS 19 12.987 -4.792 2.035
157 HD3 LYS 19 1HD LYS 19 11.450 -5.420 2.643
158 HE2 LYS 19 1HE LYS 19 11.794 -7.553 1.296
159 HE3 LYS 19 2HE LYS 19 13.330 -6.920 0.687
160 HZ1 LYS 19 2HZ LYS 19 14.114 -6.798 2.986
161 HZ3 LYS 19 1HZ LYS 19 12.695 -7.383 3.549
162 H GLU 20 H GLU 20 11.949 -0.288 -0.636
163 HA GLU 20 HA GLU 20 13.865 -1.486 -2.564
164 HB2 GLU 20 1HB GLU 20 11.699 -0.744 -3.463
165 HB3 GLU 20 2HB GLU 20 12.042 0.873 -2.887
166 HG2 GLU 20 2HG GLU 20 13.995 1.061 -4.465
167 HG3 GLU 20 1HG GLU 20 13.736 -0.598 -5.005
168 HE2 GLU 20 HE2 GLU 20 11.978 -1.069 -6.118
169 HN1 NH2 21 2HN NH2 21 13.469 1.877 -1.559
170 HN2 NH2 21 1HN NH2 21 14.328 1.244 -0.147
Start of MODEL 16
1 H1 ACE 1 3HA ACE 1 -13.837 -4.033 1.475
2 H2 ACE 1 1HA ACE 1 -13.552 -4.412 -0.240
3 H3 ACE 1 2HA ACE 1 -15.188 -3.956 0.320
4 H GLU 1 H GLU 1 -14.985 -2.313 -1.372
5 HA GLU 1 HA GLU 1 -14.171 -0.365 -2.552
6 HB2 GLU 1 2HB GLU 1 -15.516 0.137 0.126
7 HB3 GLU 1 1HB GLU 1 -15.533 1.268 -1.222
8 HG2 GLU 1 1HG GLU 1 -16.942 -1.387 -1.138
9 HG3 GLU 1 2HG GLU 1 -17.627 0.244 -1.045
10 HE2 GLU 1 HE2 GLU 1 -16.747 -1.445 -4.595
11 H SER 2 H SER 2 -14.088 1.849 -0.681
12 HA SER 2 HA SER 2 -11.498 2.941 -1.092
13 HB2 SER 2 2HB SER 2 -13.599 4.133 -0.268
14 HB3 SER 2 1HB SER 2 -13.147 3.613 1.327
15 HG SER 2 HG SER 2 -12.353 5.680 0.822
16 H ALA 3 H ALA 3 -12.559 1.283 1.753
17 HA ALA 3 HA ALA 3 -9.826 1.311 2.947
18 HB1 ALA 3 3HB ALA 3 -12.328 -0.203 3.974
19 HB2 ALA 3 1HB ALA 3 -11.902 1.479 4.425
20 HB3 ALA 3 2HB ALA 3 -10.856 0.125 4.935
21 H LYS 4 H LYS 4 -10.552 -0.246 0.700
22 HA LYS 4 HA LYS 4 -8.447 -2.266 0.982
23 HB2 LYS 4 2HB LYS 4 -10.901 -3.331 1.334
24 HB3 LYS 4 1HB LYS 4 -11.063 -3.151 -0.409
25 HG2 LYS 4 1HG LYS 4 -9.028 -4.667 -0.710
26 HG3 LYS 4 2HG LYS 4 -8.876 -4.821 1.032
27 HD2 LYS 4 2HD LYS 4 -11.351 -5.704 -0.599
28 HD3 LYS 4 1HD LYS 4 -10.000 -6.756 -0.198
29 HE2 LYS 4 1HE LYS 4 -10.448 -6.466 2.275
30 HE3 LYS 4 2HE LYS 4 -11.814 -5.403 1.913
31 HZ1 LYS 4 2HZ LYS 4 -12.502 -7.669 2.304
32 HZ3 LYS 4 1HZ LYS 4 -11.567 -8.241 1.092
33 H HIS 5 H HIS 5 -9.246 0.154 -0.472
34 HA HIS 5 HA HIS 5 -7.599 -0.339 -2.950
35 HB2 HIS 5 1HB HIS 5 -9.704 1.902 -2.541
36 HB3 HIS 5 2HB HIS 5 -8.649 1.793 -3.936
37 HD2 HIS 5 HD2 HIS 5 -9.199 -1.601 -4.271
38 HE1 HIS 5 HE1 HIS 5 -12.989 -0.248 -5.326
39 HE2 HIS 5 HE2 HIS 5 -11.459 -2.312 -5.459
40 H MET 6 H MET 6 -8.116 1.901 -0.181
41 HA MET 6 HA MET 6 -5.606 3.358 -0.794
42 HB2 MET 6 1HB MET 6 -7.244 3.605 1.821
43 HB3 MET 6 2HB MET 6 -6.031 4.709 1.199
44 HG2 MET 6 2HG MET 6 -7.932 4.732 -0.875
45 HG3 MET 6 1HG MET 6 -8.953 4.489 0.534
46 HE1 MET 6 3HE MET 6 -10.086 6.950 -0.079
47 HE2 MET 6 1HE MET 6 -9.114 8.444 -0.216
48 HE3 MET 6 2HE MET 6 -8.915 7.138 -1.421
49 H PHE 7 H PHE 7 -6.893 0.936 1.516
50 HA PHE 7 HA PHE 7 -4.333 0.495 2.867
51 HB2 PHE 7 2HB PHE 7 -7.027 -0.864 2.712
52 HB3 PHE 7 1HB PHE 7 -5.769 -1.860 3.322
53 HD1 PHE 7 HD1 PHE 7 -4.607 -1.224 5.510
54 HD2 PHE 7 HD2 PHE 7 -7.921 1.064 3.996
55 HE1 PHE 7 HE1 PHE 7 -4.879 -0.167 7.692
56 HE2 PHE 7 HE2 PHE 7 -8.198 2.114 6.174
57 HZ PHE 7 HZ PHE 7 -6.682 1.512 8.062
58 H ASP 8 H ASP 8 -5.960 -1.009 0.124
59 HA ASP 8 HA ASP 8 -4.080 -3.115 -0.484
60 HB2 ASP 8 1HB ASP 8 -6.287 -2.697 -1.593
61 HB3 ASP 8 2HB ASP 8 -5.579 -1.481 -2.616
62 HD2 ASP 8 HD2 ASP 8 -4.217 -2.069 -4.120
63 H ARG 9 H ARG 9 -4.177 0.231 -1.749
64 HA ARG 9 HA ARG 9 -1.574 0.168 -3.088
65 HB2 ARG 9 1HB ARG 9 -3.094 2.666 -2.127
66 HB3 ARG 9 2HB ARG 9 -1.664 2.720 -3.135
67 HG2 ARG 9 2HG ARG 9 -4.376 1.509 -3.984
68 HG3 ARG 9 1HG ARG 9 -3.775 3.101 -4.368
69 HD2 ARG 9 2HD ARG 9 -3.356 1.940 -6.346
70 HD3 ARG 9 1HD ARG 9 -1.764 1.993 -5.587
71 HH11 ARG 9 1HH2 ARG 9 -1.503 0.977 -7.619
72 HH12 ARG 9 2HH2 ARG 9 -1.096 -0.685 -8.283
73 HH21 ARG 9 1HH1 ARG 9 -2.639 -2.344 -5.687
74 HH22 ARG 9 2HH1 ARG 9 -1.698 -2.439 -7.259
75 H ILE 10 H ILE 10 -2.452 1.726 0.057
76 HA ILE 10 HA ILE 10 0.133 2.460 0.925
77 HB ILE 10 HB ILE 10 -2.401 1.544 2.254
78 HG12 ILE 10 1HG1 ILE 10 -1.088 4.320 2.207
79 HG13 ILE 10 2HG1 ILE 10 -2.188 3.764 0.970
80 HG21 ILE 10 1HG2 ILE 10 -0.846 0.916 3.962
81 HG22 ILE 10 2HG2 ILE 10 -0.087 2.541 3.938
82 HG23 ILE 10 3HG2 ILE 10 -1.788 2.313 4.476
83 HD11 ILE 10 3HD1 ILE 10 -3.996 3.365 2.700
84 HD12 ILE 10 1HD1 ILE 10 -2.968 4.227 3.872
85 HD13 ILE 10 2HD1 ILE 10 -3.546 5.059 2.389
86 H GLY 11 H GLY 11 -1.375 -0.661 1.281
87 HA2 GLY 11 2HA GLY 11 0.612 -2.119 2.724
88 HA3 GLY 11 1HA GLY 11 -0.507 -2.874 1.549
89 H LYS 12 H LYS 12 0.629 -1.338 -0.657
90 HA LYS 12 HA LYS 12 3.487 -2.172 -0.885
91 HB2 LYS 12 1HB LYS 12 1.951 -4.112 -1.729
92 HB3 LYS 12 2HB LYS 12 1.485 -3.077 -3.070
93 HG2 LYS 12 2HG LYS 12 3.858 -3.003 -3.864
94 HG3 LYS 12 1HG LYS 12 4.417 -3.880 -2.451
95 HD2 LYS 12 2HD LYS 12 2.453 -5.023 -4.546
96 HD3 LYS 12 1HD LYS 12 4.201 -5.206 -4.618
97 HE2 LYS 12 1HE LYS 12 4.194 -6.434 -2.392
98 HE3 LYS 12 2HE LYS 12 2.432 -6.297 -2.324
99 HZ1 LYS 12 2HZ LYS 12 2.283 -7.556 -4.367
100 HZ3 LYS 12 1HZ LYS 12 3.081 -8.400 -3.217
101 H ASP 13 H ASP 13 2.602 0.290 -0.468
102 HA ASP 13 HA ASP 13 3.965 1.720 -2.717
103 HB2 ASP 13 1HB ASP 13 1.365 2.170 -2.408
104 HB3 ASP 13 2HB ASP 13 1.846 2.978 -0.969
105 HD2 ASP 13 HD2 ASP 13 3.153 5.802 -2.499
106 H VAL 14 H VAL 14 3.065 1.889 0.716
107 HA VAL 14 HA VAL 14 5.921 2.775 1.118
108 HB VAL 14 HB VAL 14 5.516 3.984 3.075
109 HG11 VAL 14 1HG1 VAL 14 3.775 4.995 0.756
110 HG12 VAL 14 2HG1 VAL 14 4.526 6.011 2.029
111 HG13 VAL 14 3HG1 VAL 14 5.545 5.105 0.867
112 HG21 VAL 14 3HG2 VAL 14 3.172 4.653 3.832
113 HG22 VAL 14 1HG2 VAL 14 2.476 3.568 2.588
114 HG23 VAL 14 2HG2 VAL 14 3.404 2.889 3.942
115 H TYR 15 H TYR 15 5.190 0.691 0.661
116 HA TYR 15 HA TYR 15 6.665 -1.040 2.645
117 HB2 TYR 15 2HB TYR 15 4.320 -1.831 2.839
118 HB3 TYR 15 1HB TYR 15 4.197 -1.938 1.100
119 HD1 TYR 15 HD2 TYR 15 6.094 -3.355 4.040
120 HD2 TYR 15 HD1 TYR 15 4.987 -3.959 -0.072
121 HE1 TYR 15 HE2 TYR 15 7.149 -5.561 4.080
122 HE2 TYR 15 HE1 TYR 15 6.045 -6.163 -0.030
123 HH TYR 15 HH TYR 15 7.186 -7.651 1.176
124 H ASP 16 H ASP 16 5.668 -0.325 -0.734
125 HA ASP 16 HA ASP 16 7.925 -1.921 -1.857
126 HB2 ASP 16 2HB ASP 16 5.731 -1.725 -3.138
127 HB3 ASP 16 1HB ASP 16 6.111 -0.030 -3.349
128 HD2 ASP 16 HD2 ASP 16 8.340 -0.516 -5.942
129 H LYS 17 H LYS 17 7.200 1.514 -1.140
130 HA LYS 17 HA LYS 17 9.819 2.451 -2.175
131 HB2 LYS 17 2HB LYS 17 7.709 3.846 -0.418
132 HB3 LYS 17 1HB LYS 17 9.182 4.624 -0.964
133 HG2 LYS 17 1HG LYS 17 8.533 4.498 -3.326
134 HG3 LYS 17 2HG LYS 17 7.138 3.486 -2.963
135 HD2 LYS 17 1HD LYS 17 6.134 5.360 -1.572
136 HD3 LYS 17 2HD LYS 17 7.500 6.394 -2.008
137 HE2 LYS 17 1HE LYS 17 6.870 6.171 -4.469
138 HE3 LYS 17 2HE LYS 17 5.509 5.129 -4.023
139 HZ1 LYS 17 2HZ LYS 17 5.880 7.950 -3.182
140 HZ3 LYS 17 1HZ LYS 17 4.847 7.419 -4.332
141 H VAL 18 H VAL 18 8.804 0.757 0.523
142 HA VAL 18 HA VAL 18 10.770 1.817 2.493
143 HB VAL 18 HB VAL 18 8.400 0.031 2.984
144 HG11 VAL 18 1HG1 VAL 18 10.498 0.490 5.084
145 HG12 VAL 18 2HG1 VAL 18 10.051 -1.055 4.287
146 HG13 VAL 18 3HG1 VAL 18 8.865 -0.234 5.308
147 HG21 VAL 18 3HG2 VAL 18 7.661 1.749 4.577
148 HG22 VAL 18 1HG2 VAL 18 7.906 2.463 2.976
149 HG23 VAL 18 2HG2 VAL 18 9.126 2.717 4.255
150 H LYS 19 H LYS 19 9.850 -1.279 1.037
151 HA LYS 19 HA LYS 19 12.238 -2.701 1.862
152 HB2 LYS 19 1HB LYS 19 9.976 -3.640 1.105
153 HB3 LYS 19 2HB LYS 19 10.414 -3.264 -0.558
154 HG2 LYS 19 2HG LYS 19 12.333 -4.898 -0.407
155 HG3 LYS 19 1HG LYS 19 11.994 -5.162 1.307
156 HD2 LYS 19 2HD LYS 19 9.691 -6.049 0.708
157 HD3 LYS 19 1HD LYS 19 10.043 -5.797 -1.005
158 HE2 LYS 19 2HE LYS 19 11.979 -7.439 -0.851
159 HE3 LYS 19 1HE LYS 19 11.638 -7.681 0.870
160 HZ1 LYS 19 2HZ LYS 19 9.458 -8.518 0.286
161 HZ3 LYS 19 1HZ LYS 19 10.631 -9.391 -0.446
162 H GLU 20 H GLU 20 12.047 -0.155 -0.365
163 HA GLU 20 HA GLU 20 14.183 -1.086 -2.199
164 HB2 GLU 20 1HB GLU 20 12.090 -0.245 -3.228
165 HB3 GLU 20 2HB GLU 20 12.362 1.285 -2.426
166 HG2 GLU 20 1HG GLU 20 14.471 1.656 -3.759
167 HG3 GLU 20 2HG GLU 20 14.269 0.079 -4.525
168 HE2 GLU 20 HE2 GLU 20 13.047 3.201 -4.147
169 HN1 NH2 21 2HN NH2 21 14.324 1.313 0.587
170 HN2 NH2 21 1HN NH2 21 13.570 2.100 -0.809
Start of MODEL 17
1 H1 ACE 1 3HA ACE 1 -12.596 -4.903 -2.060
2 H2 ACE 1 1HA ACE 1 -13.042 -4.583 -0.368
3 H3 ACE 1 2HA ACE 1 -14.313 -4.739 -1.616
4 H GLU 1 H GLU 1 -14.634 -2.595 -0.335
5 HA GLU 1 HA GLU 1 -14.458 -0.460 -2.140
6 HB2 GLU 1 2HB GLU 1 -15.265 -0.565 0.829
7 HB3 GLU 1 1HB GLU 1 -15.553 0.833 -0.162
8 HG2 GLU 1 1HG GLU 1 -16.942 -0.250 -1.744
9 HG3 GLU 1 2HG GLU 1 -16.678 -1.845 -1.023
10 HE2 GLU 1 HE2 GLU 1 -18.849 -1.397 1.647
11 H SER 2 H SER 2 -14.173 1.744 -0.433
12 HA SER 2 HA SER 2 -11.634 2.859 -1.003
13 HB2 SER 2 2HB SER 2 -13.749 4.045 -0.210
14 HB3 SER 2 1HB SER 2 -13.228 3.668 1.406
15 HG SER 2 HG SER 2 -11.718 5.082 -0.534
16 H ALA 3 H ALA 3 -12.582 1.413 2.008
17 HA ALA 3 HA ALA 3 -9.824 1.573 3.117
18 HB1 ALA 3 3HB ALA 3 -11.868 1.801 4.625
19 HB2 ALA 3 1HB ALA 3 -10.781 0.508 5.203
20 HB3 ALA 3 2HB ALA 3 -12.267 0.083 4.303
21 H LYS 4 H LYS 4 -10.557 -0.141 0.993
22 HA LYS 4 HA LYS 4 -8.417 -2.109 1.344
23 HB2 LYS 4 1HB LYS 4 -10.762 -3.229 1.899
24 HB3 LYS 4 2HB LYS 4 -11.136 -3.026 0.198
25 HG2 LYS 4 2HG LYS 4 -10.507 -5.335 0.613
26 HG3 LYS 4 1HG LYS 4 -9.273 -4.627 -0.408
27 HD2 LYS 4 2HD LYS 4 -7.784 -4.313 1.672
28 HD3 LYS 4 1HD LYS 4 -9.058 -5.028 2.646
29 HE2 LYS 4 1HE LYS 4 -7.450 -6.768 2.267
30 HE3 LYS 4 2HE LYS 4 -8.856 -7.196 1.297
31 HZ1 LYS 4 2HZ LYS 4 -6.402 -5.859 0.277
32 HZ3 LYS 4 1HZ LYS 4 -7.697 -6.248 -0.641
33 H HIS 5 H HIS 5 -9.271 0.203 -0.218
34 HA HIS 5 HA HIS 5 -7.665 -0.388 -2.694
35 HB2 HIS 5 1HB HIS 5 -9.879 1.751 -2.280
36 HB3 HIS 5 2HB HIS 5 -8.786 1.798 -3.644
37 HD2 HIS 5 HD2 HIS 5 -8.864 -1.462 -4.361
38 HE1 HIS 5 HE1 HIS 5 -12.769 -0.515 -5.434
39 HE2 HIS 5 HE2 HIS 5 -10.932 -2.277 -5.805
40 H MET 6 H MET 6 -8.148 1.982 -0.044
41 HA MET 6 HA MET 6 -5.653 3.420 -0.762
42 HB2 MET 6 1HB MET 6 -7.243 3.805 1.865
43 HB3 MET 6 2HB MET 6 -6.067 4.887 1.146
44 HG2 MET 6 1HG MET 6 -8.040 4.769 -0.871
45 HG3 MET 6 2HG MET 6 -9.001 4.572 0.582
46 HE1 MET 6 3HE MET 6 -5.782 6.792 -0.539
47 HE2 MET 6 1HE MET 6 -7.131 7.089 -1.680
48 HE3 MET 6 2HE MET 6 -6.595 8.384 -0.569
49 H PHE 7 H PHE 7 -6.902 1.132 1.700
50 HA PHE 7 HA PHE 7 -4.320 0.764 3.032
51 HB2 PHE 7 2HB PHE 7 -7.014 -0.601 3.001
52 HB3 PHE 7 1HB PHE 7 -5.745 -1.551 3.657
53 HD1 PHE 7 HD1 PHE 7 -7.904 1.399 4.172
54 HD2 PHE 7 HD2 PHE 7 -4.554 -0.767 5.783
55 HE1 PHE 7 HE1 PHE 7 -8.158 2.586 6.281
56 HE2 PHE 7 HE2 PHE 7 -4.802 0.427 7.895
57 HZ PHE 7 HZ PHE 7 -6.611 2.116 8.182
58 H ASP 8 H ASP 8 -5.998 -0.898 0.409
59 HA ASP 8 HA ASP 8 -4.133 -3.039 -0.102
60 HB2 ASP 8 1HB ASP 8 -6.364 -2.669 -1.205
61 HB3 ASP 8 2HB ASP 8 -5.651 -1.527 -2.306
62 HD2 ASP 8 HD2 ASP 8 -5.754 -4.721 -1.227
63 H ARG 9 H ARG 9 -4.242 0.235 -1.549
64 HA ARG 9 HA ARG 9 -1.673 0.113 -2.944
65 HB2 ARG 9 1HB ARG 9 -3.318 2.572 -2.078
66 HB3 ARG 9 2HB ARG 9 -1.785 2.721 -2.925
67 HG2 ARG 9 1HG ARG 9 -2.649 1.443 -4.882
68 HG3 ARG 9 2HG ARG 9 -4.198 1.193 -4.079
69 HD2 ARG 9 2HD ARG 9 -4.574 3.721 -4.016
70 HD3 ARG 9 1HD ARG 9 -3.022 3.958 -4.803
71 HH11 ARG 9 2HH2 ARG 9 -6.399 2.930 -4.419
72 HH12 ARG 9 1HH2 ARG 9 -7.678 2.702 -5.715
73 HH21 ARG 9 2HH1 ARG 9 -5.410 2.871 -8.299
74 HH22 ARG 9 1HH1 ARG 9 -7.154 2.671 -7.762
75 H ILE 10 H ILE 10 -2.483 1.834 0.133
76 HA ILE 10 HA ILE 10 0.115 2.607 0.922
77 HB ILE 10 HB ILE 10 -2.399 1.772 2.336
78 HG12 ILE 10 2HG1 ILE 10 -1.080 4.535 2.120
79 HG13 ILE 10 1HG1 ILE 10 -2.200 3.916 0.929
80 HG21 ILE 10 1HG2 ILE 10 -1.749 2.659 4.504
81 HG22 ILE 10 2HG2 ILE 10 -0.056 2.853 3.927
82 HG23 ILE 10 3HG2 ILE 10 -0.818 1.233 4.051
83 HD11 ILE 10 3HD1 ILE 10 -3.533 5.293 2.298
84 HD12 ILE 10 1HD1 ILE 10 -3.984 3.620 2.704
85 HD13 ILE 10 2HD1 ILE 10 -2.936 4.538 3.815
86 H GLY 11 H GLY 11 -1.387 -0.485 1.468
87 HA2 GLY 11 1HA GLY 11 0.626 -1.862 2.957
88 HA3 GLY 11 2HA GLY 11 -0.518 -2.681 1.849
89 H LYS 12 H LYS 12 0.568 -1.289 -0.474
90 HA LYS 12 HA LYS 12 3.420 -2.178 -0.727
91 HB2 LYS 12 1HB LYS 12 1.238 -3.119 -2.733
92 HB3 LYS 12 2HB LYS 12 2.966 -3.285 -3.004
93 HG2 LYS 12 2HG LYS 12 3.164 -4.782 -0.974
94 HG3 LYS 12 1HG LYS 12 1.414 -4.697 -0.759
95 HD2 LYS 12 2HD LYS 12 1.072 -5.683 -3.060
96 HD3 LYS 12 1HD LYS 12 2.824 -5.771 -3.285
97 HE2 LYS 12 2HE LYS 12 3.003 -7.340 -1.289
98 HE3 LYS 12 1HE LYS 12 1.250 -7.253 -1.063
99 HZ1 LYS 12 2HZ LYS 12 2.605 -8.244 -3.512
100 HZ3 LYS 12 1HZ LYS 12 0.985 -8.164 -3.304
101 H ASP 13 H ASP 13 2.550 0.343 -0.388
102 HA ASP 13 HA ASP 13 3.883 1.633 -2.747
103 HB2 ASP 13 1HB ASP 13 1.293 2.124 -2.397
104 HB3 ASP 13 2HB ASP 13 1.822 3.008 -1.019
105 HD2 ASP 13 HD2 ASP 13 1.887 2.776 -4.366
106 H VAL 14 H VAL 14 3.086 2.002 0.689
107 HA VAL 14 HA VAL 14 5.963 2.870 0.959
108 HB VAL 14 HB VAL 14 5.634 4.208 2.842
109 HG11 VAL 14 1HG1 VAL 14 5.599 5.184 0.563
110 HG12 VAL 14 2HG1 VAL 14 3.825 5.099 0.524
111 HG13 VAL 14 3HG1 VAL 14 4.638 6.180 1.702
112 HG21 VAL 14 3HG2 VAL 14 2.574 3.805 2.480
113 HG22 VAL 14 1HG2 VAL 14 3.537 3.204 3.845
114 HG23 VAL 14 2HG2 VAL 14 3.322 4.960 3.628
115 H TYR 15 H TYR 15 5.172 0.768 0.651
116 HA TYR 15 HA TYR 15 6.680 -0.850 2.700
117 HB2 TYR 15 2HB TYR 15 4.304 -1.583 2.963
118 HB3 TYR 15 1HB TYR 15 4.194 -1.829 1.235
119 HD1 TYR 15 HD2 TYR 15 5.987 -3.044 4.318
120 HD2 TYR 15 HD1 TYR 15 5.053 -3.916 0.213
121 HE1 TYR 15 HE2 TYR 15 7.001 -5.260 4.558
122 HE2 TYR 15 HE1 TYR 15 6.067 -6.130 0.456
123 HH TYR 15 HH TYR 15 7.525 -7.180 3.543
124 H ASP 16 H ASP 16 5.604 -0.331 -0.694
125 HA ASP 16 HA ASP 16 7.796 -2.036 -1.769
126 HB2 ASP 16 2HB ASP 16 5.591 -1.901 -3.016
127 HB3 ASP 16 1HB ASP 16 5.959 -0.215 -3.318
128 HD2 ASP 16 HD2 ASP 16 8.102 -0.812 -5.954
129 H LYS 17 H LYS 17 7.172 1.464 -1.259
130 HA LYS 17 HA LYS 17 9.818 2.198 -2.398
131 HB2 LYS 17 2HB LYS 17 7.794 3.880 -0.808
132 HB3 LYS 17 1HB LYS 17 9.319 4.505 -1.378
133 HG2 LYS 17 1HG LYS 17 7.015 3.515 -3.144
134 HG3 LYS 17 2HG LYS 17 7.456 5.178 -2.842
135 HD2 LYS 17 2HD LYS 17 9.128 3.125 -4.441
136 HD3 LYS 17 1HD LYS 17 8.109 4.385 -5.083
137 HE2 LYS 17 1HE LYS 17 10.243 5.309 -5.335
138 HE3 LYS 17 2HE LYS 17 9.631 6.146 -3.912
139 HZ1 LYS 17 2HZ LYS 17 11.451 3.790 -3.891
140 HZ3 LYS 17 1HZ LYS 17 10.902 4.549 -2.551
141 H VAL 18 H VAL 18 8.795 0.763 0.414
142 HA VAL 18 HA VAL 18 10.829 1.906 2.266
143 HB VAL 18 HB VAL 18 8.438 0.207 2.927
144 HG11 VAL 18 1HG1 VAL 18 10.587 0.776 4.946
145 HG12 VAL 18 2HG1 VAL 18 8.947 0.102 5.255
146 HG13 VAL 18 3HG1 VAL 18 10.096 -0.813 4.272
147 HG21 VAL 18 3HG2 VAL 18 9.241 2.964 3.985
148 HG22 VAL 18 1HG2 VAL 18 7.766 2.052 4.411
149 HG23 VAL 18 2HG2 VAL 18 7.985 2.643 2.756
150 H LYS 19 H LYS 19 9.815 -1.255 1.031
151 HA LYS 19 HA LYS 19 12.182 -2.680 1.915
152 HB2 LYS 19 1HB LYS 19 9.884 -3.607 1.254
153 HB3 LYS 19 2HB LYS 19 10.307 -3.356 -0.436
154 HG2 LYS 19 2HG LYS 19 12.184 -5.027 -0.200
155 HG3 LYS 19 1HG LYS 19 11.866 -5.164 1.532
156 HD2 LYS 19 1HD LYS 19 9.531 -6.026 1.031
157 HD3 LYS 19 2HD LYS 19 9.862 -5.904 -0.701
158 HE2 LYS 19 1HE LYS 19 11.755 -7.584 -0.459
159 HE3 LYS 19 2HE LYS 19 11.437 -7.696 1.279
160 HZ1 LYS 19 2HZ LYS 19 10.375 -9.460 0.037
161 HZ3 LYS 19 1HZ LYS 19 9.531 -8.405 -0.883
162 H GLU 20 H GLU 20 12.016 -0.278 -0.470
163 HA GLU 20 HA GLU 20 14.071 -1.382 -2.304
164 HB2 GLU 20 1HB GLU 20 11.993 -0.471 -3.316
165 HB3 GLU 20 2HB GLU 20 12.362 1.057 -2.565
166 HG2 GLU 20 1HG GLU 20 12.953 1.222 -4.890
167 HG3 GLU 20 2HG GLU 20 14.432 1.308 -3.947
168 HE2 GLU 20 HE2 GLU 20 13.676 -1.776 -6.474
169 HN1 NH2 21 2HN NH2 21 14.385 1.103 0.377
170 HN2 NH2 21 1HN NH2 21 13.688 1.896 -1.042
Start of MODEL 18
1 H1 ACE 1 3HA ACE 1 -12.559 -4.897 -2.274
2 H2 ACE 1 1HA ACE 1 -14.259 -4.758 -1.762
3 H3 ACE 1 2HA ACE 1 -12.944 -4.615 -0.560
4 H GLU 1 H GLU 1 -14.579 -2.656 -0.461
5 HA GLU 1 HA GLU 1 -14.471 -0.488 -2.234
6 HB2 GLU 1 1HB GLU 1 -15.286 -0.577 0.730
7 HB3 GLU 1 2HB GLU 1 -15.627 0.737 -0.347
8 HG2 GLU 1 2HG GLU 1 -17.621 -0.336 -0.353
9 HG3 GLU 1 1HG GLU 1 -16.916 -0.733 -1.907
10 HE2 GLU 1 HE2 GLU 1 -17.534 -3.560 0.968
11 H SER 2 H SER 2 -14.210 1.741 -0.492
12 HA SER 2 HA SER 2 -11.670 2.842 -1.036
13 HB2 SER 2 2HB SER 2 -13.792 4.025 -0.249
14 HB3 SER 2 1HB SER 2 -13.275 3.642 1.368
15 HG SER 2 HG SER 2 -12.551 5.679 0.678
16 H ALA 3 H ALA 3 -12.640 1.394 1.970
17 HA ALA 3 HA ALA 3 -9.889 1.535 3.091
18 HB1 ALA 3 3HB ALA 3 -10.859 0.442 5.160
19 HB2 ALA 3 1HB ALA 3 -12.334 0.017 4.243
20 HB3 ALA 3 2HB ALA 3 -11.951 1.733 4.588
21 H LYS 4 H LYS 4 -10.616 -0.174 0.949
22 HA LYS 4 HA LYS 4 -8.479 -2.159 1.297
23 HB2 LYS 4 1HB LYS 4 -11.306 -2.936 0.293
24 HB3 LYS 4 2HB LYS 4 -9.939 -3.988 0.017
25 HG2 LYS 4 2HG LYS 4 -11.107 -3.268 2.767
26 HG3 LYS 4 1HG LYS 4 -11.373 -4.760 1.898
27 HD2 LYS 4 1HD LYS 4 -8.641 -3.820 2.986
28 HD3 LYS 4 2HD LYS 4 -9.728 -4.947 3.781
29 HE2 LYS 4 2HE LYS 4 -9.502 -6.568 1.829
30 HE3 LYS 4 1HE LYS 4 -8.371 -5.455 1.045
31 HZ1 LYS 4 2HZ LYS 4 -7.204 -7.129 2.263
32 HZ3 LYS 4 1HZ LYS 4 -6.898 -5.669 2.933
33 H HIS 5 H HIS 5 -9.306 0.197 -0.251
34 HA HIS 5 HA HIS 5 -7.654 -0.386 -2.702
35 HB2 HIS 5 2HB HIS 5 -9.848 1.779 -2.326
36 HB3 HIS 5 1HB HIS 5 -8.720 1.808 -3.666
37 HD2 HIS 5 HD2 HIS 5 -8.819 -1.419 -4.431
38 HE1 HIS 5 HE1 HIS 5 -12.707 -0.440 -5.540
39 HE2 HIS 5 HE2 HIS 5 -10.870 -2.201 -5.918
40 H MET 6 H MET 6 -8.180 1.970 -0.043
41 HA MET 6 HA MET 6 -5.684 3.422 -0.716
42 HB2 MET 6 2HB MET 6 -7.272 3.769 1.916
43 HB3 MET 6 1HB MET 6 -6.114 4.868 1.194
44 HG2 MET 6 2HG MET 6 -8.081 4.782 -0.807
45 HG3 MET 6 1HG MET 6 -9.049 4.499 0.626
46 HE1 MET 6 3HE MET 6 -5.904 6.835 -0.405
47 HE2 MET 6 1HE MET 6 -6.720 8.424 -0.305
48 HE3 MET 6 2HE MET 6 -7.267 7.216 -1.504
49 H PHE 7 H PHE 7 -6.942 1.080 1.684
50 HA PHE 7 HA PHE 7 -4.377 0.728 3.061
51 HB2 PHE 7 1HB PHE 7 -7.068 -0.640 2.974
52 HB3 PHE 7 2HB PHE 7 -5.806 -1.615 3.619
53 HD1 PHE 7 HD1 PHE 7 -7.956 1.336 4.182
54 HD2 PHE 7 HD2 PHE 7 -4.633 -0.888 5.771
55 HE1 PHE 7 HE1 PHE 7 -8.220 2.476 6.316
56 HE2 PHE 7 HE2 PHE 7 -4.893 0.259 7.909
57 HZ PHE 7 HZ PHE 7 -6.694 1.952 8.218
58 H ASP 8 H ASP 8 -6.001 -0.909 0.395
59 HA ASP 8 HA ASP 8 -4.103 -3.024 -0.123
60 HB2 ASP 8 2HB ASP 8 -6.322 -2.672 -1.245
61 HB3 ASP 8 1HB ASP 8 -5.623 -1.503 -2.324
62 HD2 ASP 8 HD2 ASP 8 -4.221 -2.155 -3.781
63 H ARG 9 H ARG 9 -4.239 0.261 -1.536
64 HA ARG 9 HA ARG 9 -1.656 0.194 -2.906
65 HB2 ARG 9 2HB ARG 9 -3.348 2.612 -2.017
66 HB3 ARG 9 1HB ARG 9 -1.821 2.801 -2.865
67 HG2 ARG 9 2HG ARG 9 -2.638 1.569 -4.838
68 HG3 ARG 9 1HG ARG 9 -4.161 1.182 -4.064
69 HD2 ARG 9 1HD ARG 9 -3.214 4.065 -4.690
70 HD3 ARG 9 2HD ARG 9 -4.231 3.089 -5.755
71 HH11 ARG 9 1HH2 ARG 9 -4.853 5.341 -5.888
72 HH12 ARG 9 2HH2 ARG 9 -6.335 6.344 -5.483
73 HH21 ARG 9 1HH1 ARG 9 -7.186 4.393 -2.772
74 HH22 ARG 9 2HH1 ARG 9 -7.567 5.840 -3.835
75 H ILE 10 H ILE 10 -2.517 1.848 0.194
76 HA ILE 10 HA ILE 10 0.067 2.641 1.014
77 HB ILE 10 HB ILE 10 -2.449 1.756 2.394
78 HG12 ILE 10 1HG1 ILE 10 -1.155 4.536 2.229
79 HG13 ILE 10 2HG1 ILE 10 -2.261 3.925 1.023
80 HG21 ILE 10 1HG2 ILE 10 -1.828 2.613 4.580
81 HG22 ILE 10 2HG2 ILE 10 -0.876 1.205 4.114
82 HG23 ILE 10 3HG2 ILE 10 -0.133 2.837 4.023
83 HD11 ILE 10 3HD1 ILE 10 -3.615 5.269 2.399
84 HD12 ILE 10 1HD1 ILE 10 -3.023 4.499 3.910
85 HD13 ILE 10 2HD1 ILE 10 -4.055 3.587 2.780
86 H GLY 11 H GLY 11 -1.416 -0.478 1.509
87 HA2 GLY 11 1HA GLY 11 0.620 -1.856 2.968
88 HA3 GLY 11 2HA GLY 11 -0.535 -2.666 1.864
89 H LYS 12 H LYS 12 0.579 -1.198 -0.418
90 HA LYS 12 HA LYS 12 3.418 -2.100 -0.681
91 HB2 LYS 12 1HB LYS 12 3.103 -3.338 -2.783
92 HB3 LYS 12 2HB LYS 12 2.158 -4.073 -1.509
93 HG2 LYS 12 2HG LYS 12 0.065 -2.978 -2.396
94 HG3 LYS 12 1HG LYS 12 0.976 -2.206 -3.680
95 HD2 LYS 12 2HD LYS 12 0.694 -5.252 -3.272
96 HD3 LYS 12 1HD LYS 12 -0.305 -4.305 -4.349
97 HE2 LYS 12 2HE LYS 12 2.753 -4.676 -4.676
98 HE3 LYS 12 1HE LYS 12 1.515 -5.594 -5.523
99 HZ1 LYS 12 2HZ LYS 12 2.365 -3.790 -6.853
100 HZ3 LYS 12 1HZ LYS 12 1.925 -2.668 -5.749
101 H ASP 13 H ASP 13 2.529 0.434 -0.319
102 HA ASP 13 HA ASP 13 3.915 1.757 -2.632
103 HB2 ASP 13 2HB ASP 13 1.317 2.259 -2.295
104 HB3 ASP 13 1HB ASP 13 1.844 3.127 -0.907
105 HD2 ASP 13 HD2 ASP 13 3.081 4.864 -1.130
106 H VAL 14 H VAL 14 3.084 2.071 0.802
107 HA VAL 14 HA VAL 14 5.964 2.913 1.116
108 HB VAL 14 HB VAL 14 5.621 4.235 3.017
109 HG11 VAL 14 3HG2 VAL 14 4.656 6.227 1.892
110 HG12 VAL 14 1HG2 VAL 14 5.618 5.237 0.747
111 HG13 VAL 14 2HG2 VAL 14 3.843 5.168 0.694
112 HG21 VAL 14 1HG1 VAL 14 3.514 3.224 3.981
113 HG22 VAL 14 2HG1 VAL 14 3.314 4.985 3.795
114 HG23 VAL 14 3HG1 VAL 14 2.565 3.859 2.620
115 H TYR 15 H TYR 15 5.125 0.813 0.776
116 HA TYR 15 HA TYR 15 6.565 -0.846 2.841
117 HB2 TYR 15 1HB TYR 15 4.148 -1.501 3.032
118 HB3 TYR 15 2HB TYR 15 4.110 -1.795 1.311
119 HD1 TYR 15 HD1 TYR 15 5.767 -2.924 4.495
120 HD2 TYR 15 HD2 TYR 15 4.952 -3.944 0.398
121 HE1 TYR 15 HE1 TYR 15 6.645 -5.179 4.883
122 HE2 TYR 15 HE2 TYR 15 5.832 -6.195 0.788
123 HH TYR 15 HH TYR 15 6.737 -7.606 2.257
124 H ASP 16 H ASP 16 5.637 -0.300 -0.554
125 HA ASP 16 HA ASP 16 7.927 -2.003 -1.437
126 HB2 ASP 16 1HB ASP 16 5.703 -2.042 -2.771
127 HB3 ASP 16 2HB ASP 16 6.099 -0.398 -3.226
128 HD2 ASP 16 HD2 ASP 16 7.073 -3.635 -3.347
129 H LYS 17 H LYS 17 7.160 1.458 -1.047
130 HA LYS 17 HA LYS 17 9.684 2.300 -2.284
131 HB2 LYS 17 1HB LYS 17 7.678 3.764 -2.123
132 HB3 LYS 17 2HB LYS 17 7.790 3.822 -0.379
133 HG2 LYS 17 1HG LYS 17 10.145 4.782 -2.123
134 HG3 LYS 17 2HG LYS 17 8.699 5.766 -1.990
135 HD2 LYS 17 2HD LYS 17 8.909 5.875 0.499
136 HD3 LYS 17 1HD LYS 17 10.360 4.876 0.449
137 HE2 LYS 17 1HE LYS 17 11.532 6.633 -0.967
138 HE3 LYS 17 2HE LYS 17 10.078 7.642 -0.912
139 HZ1 LYS 17 2HZ LYS 17 10.287 7.752 1.484
140 HZ3 LYS 17 1HZ LYS 17 11.640 8.308 0.755
141 H VAL 18 H VAL 18 8.891 0.861 0.846
142 HA VAL 18 HA VAL 18 11.291 1.941 2.168
143 HB VAL 18 HB VAL 18 10.673 1.133 4.149
144 HG11 VAL 18 1HG1 VAL 18 9.238 3.099 3.583
145 HG12 VAL 18 2HG1 VAL 18 8.397 2.035 4.739
146 HG13 VAL 18 3HG1 VAL 18 7.965 2.000 3.017
147 HG21 VAL 18 3HG2 VAL 18 8.623 -0.767 3.069
148 HG22 VAL 18 1HG2 VAL 18 10.073 -1.123 4.011
149 HG23 VAL 18 2HG2 VAL 18 8.697 -0.331 4.797
150 H LYS 19 H LYS 19 9.936 -1.164 1.385
151 HA LYS 19 HA LYS 19 12.289 -2.762 1.787
152 HB2 LYS 19 2HB LYS 19 9.972 -3.614 1.457
153 HB3 LYS 19 1HB LYS 19 10.020 -3.250 -0.252
154 HG2 LYS 19 1HG LYS 19 12.128 -5.139 0.964
155 HG3 LYS 19 2HG LYS 19 10.473 -5.697 0.803
156 HD2 LYS 19 2HD LYS 19 10.478 -5.268 -1.654
157 HD3 LYS 19 1HD LYS 19 12.129 -4.655 -1.578
158 HE2 LYS 19 1HE LYS 19 12.936 -6.912 -0.727
159 HE3 LYS 19 2HE LYS 19 11.280 -7.532 -0.809
160 HZ1 LYS 19 2HZ LYS 19 12.568 -8.092 -2.761
161 HZ3 LYS 19 1HZ LYS 19 12.872 -6.522 -3.101
162 H GLU 20 H GLU 20 11.911 -0.388 -0.629
163 HA GLU 20 HA GLU 20 13.805 -1.557 -2.592
164 HB2 GLU 20 2HB GLU 20 11.679 -0.697 -3.476
165 HB3 GLU 20 1HB GLU 20 12.068 0.878 -2.816
166 HG2 GLU 20 1HG GLU 20 14.052 1.069 -4.367
167 HG3 GLU 20 2HG GLU 20 13.725 -0.549 -4.990
168 HE2 GLU 20 HE2 GLU 20 12.648 2.639 -4.734
169 HN1 NH2 21 2HN NH2 21 14.338 1.030 -0.041
170 HN2 NH2 21 1HN NH2 21 13.519 1.764 -1.426
Start of MODEL 19
1 H1 ACE 1 3HA ACE 1 -13.372 -4.423 -0.190
2 H2 ACE 1 1HA ACE 1 -14.618 -4.565 -1.465
3 H3 ACE 1 2HA ACE 1 -12.913 -4.924 -1.835
4 H GLU 1 H GLU 1 -14.884 -2.316 -0.513
5 HA GLU 1 HA GLU 1 -14.280 -0.372 -2.438
6 HB2 GLU 1 1HB GLU 1 -15.449 0.091 0.344
7 HB3 GLU 1 2HB GLU 1 -15.614 1.135 -1.048
8 HG2 GLU 1 2HG GLU 1 -16.874 -1.575 -0.717
9 HG3 GLU 1 1HG GLU 1 -17.627 0.028 -0.671
10 HE2 GLU 1 HE2 GLU 1 -16.917 -1.846 -4.171
11 H SER 2 H SER 2 -14.146 1.803 -0.552
12 HA SER 2 HA SER 2 -11.575 2.921 -1.006
13 HB2 SER 2 1HB SER 2 -13.684 4.116 -0.237
14 HB3 SER 2 2HB SER 2 -13.236 3.659 1.380
15 HG SER 2 HG SER 2 -11.230 4.723 1.061
16 H ALA 3 H ALA 3 -12.604 1.409 1.932
17 HA ALA 3 HA ALA 3 -9.864 1.492 3.092
18 HB1 ALA 3 3HB ALA 3 -10.871 0.390 5.138
19 HB2 ALA 3 1HB ALA 3 -11.932 1.710 4.573
20 HB3 ALA 3 2HB ALA 3 -12.346 0.005 4.203
21 H LYS 4 H LYS 4 -10.578 -0.164 0.919
22 HA LYS 4 HA LYS 4 -8.469 -2.163 1.277
23 HB2 LYS 4 2HB LYS 4 -10.884 -3.247 1.736
24 HB3 LYS 4 1HB LYS 4 -11.143 -3.057 0.015
25 HG2 LYS 4 2HG LYS 4 -10.562 -5.357 0.456
26 HG3 LYS 4 1HG LYS 4 -9.224 -4.665 -0.441
27 HD2 LYS 4 1HD LYS 4 -7.921 -4.387 1.724
28 HD3 LYS 4 2HD LYS 4 -9.289 -5.046 2.628
29 HE2 LYS 4 1HE LYS 4 -9.072 -7.239 1.352
30 HE3 LYS 4 2HE LYS 4 -7.704 -6.575 0.446
31 HZ1 LYS 4 2HZ LYS 4 -6.535 -6.279 2.560
32 HZ3 LYS 4 1HZ LYS 4 -7.799 -6.893 3.396
33 H HIS 5 H HIS 5 -9.278 0.186 -0.271
34 HA HIS 5 HA HIS 5 -7.631 -0.400 -2.725
35 HB2 HIS 5 2HB HIS 5 -9.822 1.769 -2.388
36 HB3 HIS 5 1HB HIS 5 -8.708 1.745 -3.740
37 HD2 HIS 5 HD2 HIS 5 -8.892 -1.569 -4.304
38 HE1 HIS 5 HE1 HIS 5 -12.773 -0.572 -5.420
39 HE2 HIS 5 HE2 HIS 5 -10.995 -2.412 -5.680
40 H MET 6 H MET 6 -8.156 1.940 -0.052
41 HA MET 6 HA MET 6 -5.660 3.395 -0.728
42 HB2 MET 6 2HB MET 6 -7.280 3.742 1.884
43 HB3 MET 6 1HB MET 6 -6.093 4.833 1.197
44 HG2 MET 6 1HG MET 6 -8.042 4.738 -0.849
45 HG3 MET 6 2HG MET 6 -9.018 4.531 0.591
46 HE1 MET 6 3HE MET 6 -7.113 7.061 -1.628
47 HE2 MET 6 1HE MET 6 -6.585 8.345 -0.501
48 HE3 MET 6 2HE MET 6 -5.779 6.749 -0.473
49 H PHE 7 H PHE 7 -6.931 1.064 1.681
50 HA PHE 7 HA PHE 7 -4.367 0.688 3.047
51 HB2 PHE 7 1HB PHE 7 -7.059 -0.681 2.957
52 HB3 PHE 7 2HB PHE 7 -5.795 -1.650 3.603
53 HD1 PHE 7 HD1 PHE 7 -7.957 1.289 4.166
54 HD2 PHE 7 HD2 PHE 7 -4.623 -0.918 5.754
55 HE1 PHE 7 HE1 PHE 7 -8.229 2.426 6.301
56 HE2 PHE 7 HE2 PHE 7 -4.890 0.226 7.893
57 HZ PHE 7 HZ PHE 7 -6.700 1.910 8.203
58 H ASP 8 H ASP 8 -5.997 -0.945 0.380
59 HA ASP 8 HA ASP 8 -4.108 -3.063 -0.144
60 HB2 ASP 8 1HB ASP 8 -6.332 -2.690 -1.267
61 HB3 ASP 8 2HB ASP 8 -5.613 -1.527 -2.341
62 HD2 ASP 8 HD2 ASP 8 -5.729 -4.737 -1.325
63 H ARG 9 H ARG 9 -4.226 0.229 -1.538
64 HA ARG 9 HA ARG 9 -1.648 0.160 -2.916
65 HB2 ARG 9 1HB ARG 9 -3.325 2.577 -1.995
66 HB3 ARG 9 2HB ARG 9 -1.806 2.768 -2.858
67 HG2 ARG 9 2HG ARG 9 -2.654 1.598 -4.852
68 HG3 ARG 9 1HG ARG 9 -4.153 1.159 -4.036
69 HD2 ARG 9 2HD ARG 9 -4.762 3.612 -3.802
70 HD3 ARG 9 1HD ARG 9 -3.262 4.060 -4.636
71 HH11 ARG 9 2HH2 ARG 9 -5.063 5.521 -5.158
72 HH12 ARG 9 1HH2 ARG 9 -6.034 5.965 -6.651
73 HH21 ARG 9 1HH1 ARG 9 -5.815 2.806 -8.007
74 HH22 ARG 9 2HH1 ARG 9 -6.430 4.529 -8.154
75 H ILE 10 H ILE 10 -2.498 1.812 0.188
76 HA ILE 10 HA ILE 10 0.089 2.585 1.013
77 HB ILE 10 HB ILE 10 -2.435 1.712 2.388
78 HG12 ILE 10 1HG1 ILE 10 -1.127 4.486 2.234
79 HG13 ILE 10 2HG1 ILE 10 -2.232 3.884 1.023
80 HG21 ILE 10 1HG2 ILE 10 -0.116 2.775 4.024
81 HG22 ILE 10 2HG2 ILE 10 -1.814 2.561 4.577
82 HG23 ILE 10 3HG2 ILE 10 -0.869 1.149 4.109
83 HD11 ILE 10 3HD1 ILE 10 -4.034 3.549 2.769
84 HD12 ILE 10 1HD1 ILE 10 -3.001 4.449 3.909
85 HD13 ILE 10 2HD1 ILE 10 -3.583 5.231 2.400
86 H GLY 11 H GLY 11 -1.408 -0.524 1.495
87 HA2 GLY 11 1HA GLY 11 0.609 -1.918 2.963
88 HA3 GLY 11 2HA GLY 11 -0.537 -2.721 1.842
89 H LYS 12 H LYS 12 0.580 -1.259 -0.437
90 HA LYS 12 HA LYS 12 3.428 -2.136 -0.676
91 HB2 LYS 12 2HB LYS 12 1.824 -4.069 -1.473
92 HB3 LYS 12 1HB LYS 12 1.380 -3.035 -2.825
93 HG2 LYS 12 1HG LYS 12 3.802 -3.030 -3.585
94 HG3 LYS 12 2HG LYS 12 4.252 -3.990 -2.173
95 HD2 LYS 12 2HD LYS 12 2.761 -5.868 -2.983
96 HD3 LYS 12 1HD LYS 12 2.298 -4.896 -4.386
97 HE2 LYS 12 2HE LYS 12 4.728 -4.835 -5.147
98 HE3 LYS 12 1HE LYS 12 5.191 -5.808 -3.743
99 HZ1 LYS 12 2HZ LYS 12 4.893 -7.178 -5.667
100 HZ3 LYS 12 1HZ LYS 12 3.773 -7.580 -4.546
101 H ASP 13 H ASP 13 2.549 0.367 -0.323
102 HA ASP 13 HA ASP 13 3.907 1.702 -2.636
103 HB2 ASP 13 2HB ASP 13 1.309 2.171 -2.307
104 HB3 ASP 13 1HB ASP 13 1.815 3.043 -0.913
105 HD2 ASP 13 HD2 ASP 13 3.026 4.801 -1.127
106 H VAL 14 H VAL 14 3.067 2.014 0.798
107 HA VAL 14 HA VAL 14 5.938 2.890 1.116
108 HB VAL 14 HB VAL 14 5.574 4.210 3.014
109 HG11 VAL 14 3HG2 VAL 14 5.568 5.208 0.741
110 HG12 VAL 14 1HG2 VAL 14 3.795 5.119 0.682
111 HG13 VAL 14 2HG2 VAL 14 4.591 6.189 1.881
112 HG21 VAL 14 1HG1 VAL 14 3.256 4.936 3.783
113 HG22 VAL 14 2HG1 VAL 14 2.523 3.800 2.607
114 HG23 VAL 14 3HG1 VAL 14 3.474 3.177 3.972
115 H TYR 15 H TYR 15 5.128 0.782 0.776
116 HA TYR 15 HA TYR 15 6.584 -0.867 2.842
117 HB2 TYR 15 2HB TYR 15 4.177 -1.547 3.033
118 HB3 TYR 15 1HB TYR 15 4.133 -1.822 1.308
119 HD1 TYR 15 HD2 TYR 15 5.819 -2.976 4.470
120 HD2 TYR 15 HD1 TYR 15 4.969 -3.957 0.371
121 HE1 TYR 15 HE2 TYR 15 6.721 -5.226 4.823
122 HE2 TYR 15 HE1 TYR 15 5.874 -6.203 0.725
123 HH TYR 15 HH TYR 15 6.808 -7.622 2.169
124 H ASP 16 H ASP 16 5.651 -0.326 -0.549
125 HA ASP 16 HA ASP 16 7.967 -1.997 -1.438
126 HB2 ASP 16 1HB ASP 16 5.737 -2.043 -2.765
127 HB3 ASP 16 2HB ASP 16 6.141 -0.411 -3.247
128 HD2 ASP 16 HD2 ASP 16 7.739 -0.093 -4.601
129 H LYS 17 H LYS 17 7.153 1.453 -1.047
130 HA LYS 17 HA LYS 17 9.669 2.327 -2.279
131 HB2 LYS 17 2HB LYS 17 7.602 3.776 -2.068
132 HB3 LYS 17 1HB LYS 17 7.827 3.838 -0.322
133 HG2 LYS 17 1HG LYS 17 10.047 5.021 -0.679
134 HG3 LYS 17 2HG LYS 17 9.829 4.897 -2.426
135 HD2 LYS 17 2HD LYS 17 7.696 6.296 -2.236
136 HD3 LYS 17 1HD LYS 17 7.932 6.383 -0.498
137 HE2 LYS 17 1HE LYS 17 8.715 8.472 -1.378
138 HE3 LYS 17 2HE LYS 17 10.153 7.596 -0.860
139 HZ1 LYS 17 2HZ LYS 17 10.479 8.604 -2.996
140 HZ3 LYS 17 1HZ LYS 17 10.544 6.980 -3.170
141 H VAL 18 H VAL 18 8.889 0.871 0.847
142 HA VAL 18 HA VAL 18 11.265 1.991 2.182
143 HB VAL 18 HB VAL 18 10.654 1.170 4.156
144 HG11 VAL 18 3HG2 VAL 18 7.942 2.001 3.009
145 HG12 VAL 18 1HG2 VAL 18 9.200 3.116 3.581
146 HG13 VAL 18 2HG2 VAL 18 8.363 2.044 4.733
147 HG21 VAL 18 1HG1 VAL 18 8.639 -0.765 3.079
148 HG22 VAL 18 2HG1 VAL 18 8.697 -0.317 4.804
149 HG23 VAL 18 3HG1 VAL 18 10.089 -1.091 4.029
150 H LYS 19 H LYS 19 9.961 -1.138 1.391
151 HA LYS 19 HA LYS 19 12.347 -2.685 1.807
152 HB2 LYS 19 1HB LYS 19 10.006 -3.594 1.447
153 HB3 LYS 19 2HB LYS 19 10.134 -3.232 -0.263
154 HG2 LYS 19 2HG LYS 19 10.451 -5.589 0.067
155 HG3 LYS 19 1HG LYS 19 11.974 -4.931 -0.501
156 HD2 LYS 19 1HD LYS 19 12.871 -4.962 1.875
157 HD3 LYS 19 2HD LYS 19 11.319 -5.579 2.452
158 HE2 LYS 19 1HE LYS 19 11.618 -7.661 1.016
159 HE3 LYS 19 2HE LYS 19 13.171 -7.038 0.438
160 HZ1 LYS 19 2HZ LYS 19 13.987 -7.070 2.703
161 HZ3 LYS 19 1HZ LYS 19 13.481 -8.556 2.245
162 H GLU 20 H GLU 20 11.943 -0.326 -0.603
163 HA GLU 20 HA GLU 20 13.840 -1.482 -2.575
164 HB2 GLU 20 2HB GLU 20 11.698 -0.655 -3.448
165 HB3 GLU 20 1HB GLU 20 12.068 0.928 -2.800
166 HG2 GLU 20 2HG GLU 20 14.040 1.140 -4.362
167 HG3 GLU 20 1HG GLU 20 13.732 -0.485 -4.976
168 HE2 GLU 20 HE2 GLU 20 11.488 2.687 -6.109
169 HN1 NH2 21 2HN NH2 21 14.355 1.128 -0.041
170 HN2 NH2 21 1HN NH2 21 13.516 1.842 -1.426
Start of MODEL 20
1 H1 ACE 1 3HA ACE 1 -11.834 -2.197 -2.691
2 H2 ACE 1 1HA ACE 1 -12.572 -3.651 -3.396
3 H3 ACE 1 2HA ACE 1 -13.497 -2.135 -3.352
4 H GLU 1 H GLU 1 -14.462 -2.766 0.129
5 HA GLU 1 HA GLU 1 -14.656 -0.812 -1.884
6 HB2 GLU 1 1HB GLU 1 -15.176 -0.639 1.133
7 HB3 GLU 1 2HB GLU 1 -15.686 0.545 -0.029
8 HG2 GLU 1 2HG GLU 1 -17.611 -0.608 0.259
9 HG3 GLU 1 1HG GLU 1 -17.030 -1.138 -1.307
10 HE2 GLU 1 HE2 GLU 1 -17.154 -1.891 2.022
11 H SER 2 H SER 2 -14.345 1.585 -0.398
12 HA SER 2 HA SER 2 -11.916 2.735 -1.255
13 HB2 SER 2 2HB SER 2 -14.014 3.918 -0.425
14 HB3 SER 2 1HB SER 2 -13.376 3.702 1.182
15 HG SER 2 HG SER 2 -11.479 4.794 0.514
16 H ALA 3 H ALA 3 -12.596 1.612 1.977
17 HA ALA 3 HA ALA 3 -9.742 1.888 2.846
18 HB1 ALA 3 3HB ALA 3 -10.550 1.019 5.077
19 HB2 ALA 3 1HB ALA 3 -12.102 0.532 4.336
20 HB3 ALA 3 2HB ALA 3 -11.671 2.268 4.463
21 H LYS 4 H LYS 4 -10.579 0.037 0.916
22 HA LYS 4 HA LYS 4 -8.485 -1.972 1.314
23 HB2 LYS 4 2HB LYS 4 -11.172 -2.844 1.580
24 HB3 LYS 4 1HB LYS 4 -10.891 -3.175 -0.107
25 HG2 LYS 4 2HG LYS 4 -9.217 -4.248 2.259
26 HG3 LYS 4 1HG LYS 4 -10.499 -5.120 1.433
27 HD2 LYS 4 2HD LYS 4 -9.132 -5.047 -0.736
28 HD3 LYS 4 1HD LYS 4 -7.850 -4.227 0.142
29 HE2 LYS 4 2HE LYS 4 -7.187 -6.520 0.014
30 HE3 LYS 4 1HE LYS 4 -7.620 -6.235 1.698
31 HZ1 LYS 4 2HZ LYS 4 -9.759 -7.290 1.269
32 HZ3 LYS 4 1HZ LYS 4 -8.522 -8.297 0.910
33 H HIS 5 H HIS 5 -9.344 0.310 -0.360
34 HA HIS 5 HA HIS 5 -7.613 -0.299 -2.727
35 HB2 HIS 5 2HB HIS 5 -9.761 1.926 -2.370
36 HB3 HIS 5 1HB HIS 5 -8.648 1.896 -3.721
37 HD2 HIS 5 HD2 HIS 5 -8.774 -1.172 -4.661
38 HE1 HIS 5 HE1 HIS 5 -12.771 -0.298 -5.414
39 HE2 HIS 5 HE2 HIS 5 -10.898 -1.942 -6.051
40 H MET 6 H MET 6 -8.081 1.966 -0.000
41 HA MET 6 HA MET 6 -5.616 3.478 -0.687
42 HB2 MET 6 2HB MET 6 -6.073 4.826 1.365
43 HB3 MET 6 1HB MET 6 -7.441 4.909 0.255
44 HG2 MET 6 2HG MET 6 -8.855 3.672 1.682
45 HG3 MET 6 1HG MET 6 -7.541 2.983 2.621
46 HE1 MET 6 3HE MET 6 -6.591 5.809 5.120
47 HE2 MET 6 1HE MET 6 -5.631 5.372 3.678
48 HE3 MET 6 2HE MET 6 -6.430 4.094 4.643
49 H PHE 7 H PHE 7 -6.887 1.197 1.746
50 HA PHE 7 HA PHE 7 -4.312 0.753 3.047
51 HB2 PHE 7 1HB PHE 7 -7.048 -0.516 3.006
52 HB3 PHE 7 2HB PHE 7 -5.805 -1.553 3.623
53 HD1 PHE 7 HD2 PHE 7 -4.466 -0.787 5.696
54 HD2 PHE 7 HD1 PHE 7 -7.918 1.372 4.301
55 HE1 PHE 7 HE2 PHE 7 -4.624 0.357 7.843
56 HE2 PHE 7 HE1 PHE 7 -8.079 2.510 6.440
57 HZ PHE 7 HZ PHE 7 -6.436 2.018 8.256
58 H ASP 8 H ASP 8 -5.999 -0.905 0.421
59 HA ASP 8 HA ASP 8 -4.132 -3.028 -0.102
60 HB2 ASP 8 1HB ASP 8 -6.384 -2.614 -1.184
61 HB3 ASP 8 2HB ASP 8 -5.646 -1.512 -2.306
62 HD2 ASP 8 HD2 ASP 8 -5.911 -4.673 -1.203
63 H ARG 9 H ARG 9 -4.229 0.272 -1.504
64 HA ARG 9 HA ARG 9 -1.670 0.122 -2.919
65 HB2 ARG 9 2HB ARG 9 -3.205 2.643 -2.031
66 HB3 ARG 9 1HB ARG 9 -1.761 2.703 -3.019
67 HG2 ARG 9 1HG ARG 9 -4.387 1.332 -3.873
68 HG3 ARG 9 2HG ARG 9 -3.904 2.968 -4.292
69 HD2 ARG 9 2HD ARG 9 -1.837 2.042 -5.501
70 HD3 ARG 9 1HD ARG 9 -2.379 0.416 -5.124
71 HH11 ARG 9 1HH2 ARG 9 -2.509 3.694 -6.532
72 HH12 ARG 9 2HH2 ARG 9 -3.324 4.236 -8.084
73 HH21 ARG 9 2HH1 ARG 9 -5.036 1.276 -8.484
74 HH22 ARG 9 1HH1 ARG 9 -4.657 2.958 -9.112
75 H ILE 10 H ILE 10 -2.459 1.842 0.169
76 HA ILE 10 HA ILE 10 0.147 2.580 0.961
77 HB ILE 10 HB ILE 10 -2.375 1.752 2.367
78 HG12 ILE 10 2HG1 ILE 10 -1.023 4.503 2.188
79 HG13 ILE 10 1HG1 ILE 10 -2.149 3.912 0.989
80 HG21 ILE 10 1HG2 ILE 10 -0.024 2.785 3.977
81 HG22 ILE 10 2HG2 ILE 10 -0.803 1.172 4.077
82 HG23 ILE 10 3HG2 ILE 10 -1.719 2.602 4.546
83 HD11 ILE 10 3HD1 ILE 10 -2.876 4.509 3.882
84 HD12 ILE 10 1HD1 ILE 10 -3.935 3.609 2.768
85 HD13 ILE 10 2HD1 ILE 10 -3.471 5.282 2.373
86 H GLY 11 H GLY 11 -1.379 -0.506 1.475
87 HA2 GLY 11 2HA GLY 11 0.622 -1.912 2.951
88 HA3 GLY 11 1HA GLY 11 -0.526 -2.713 1.834
89 H LYS 12 H LYS 12 0.574 -1.303 -0.472
90 HA LYS 12 HA LYS 12 3.421 -2.202 -0.733
91 HB2 LYS 12 1HB LYS 12 1.241 -3.151 -2.737
92 HB3 LYS 12 2HB LYS 12 2.970 -3.298 -3.013
93 HG2 LYS 12 2HG LYS 12 3.179 -4.776 -0.960
94 HG3 LYS 12 1HG LYS 12 1.425 -4.735 -0.780
95 HD2 LYS 12 1HD LYS 12 1.152 -5.737 -3.073
96 HD3 LYS 12 2HD LYS 12 2.894 -5.785 -3.292
97 HE2 LYS 12 2HE LYS 12 1.360 -7.309 -1.070
98 HE3 LYS 12 1HE LYS 12 1.827 -8.000 -2.621
99 HZ1 LYS 12 2HZ LYS 12 3.707 -6.977 -0.571
100 HZ3 LYS 12 1HZ LYS 12 3.389 -8.549 -0.887
101 H ASP 13 H ASP 13 2.562 0.309 -0.373
102 HA ASP 13 HA ASP 13 3.891 1.616 -2.725
103 HB2 ASP 13 2HB ASP 13 1.307 2.109 -2.365
104 HB3 ASP 13 1HB ASP 13 1.836 2.982 -0.979
105 HD2 ASP 13 HD2 ASP 13 2.373 4.452 -4.705
106 H VAL 14 H VAL 14 3.109 1.959 0.717
107 HA VAL 14 HA VAL 14 5.986 2.827 0.981
108 HB VAL 14 HB VAL 14 5.670 4.152 2.874
109 HG11 VAL 14 3HG2 VAL 14 5.607 5.137 0.591
110 HG12 VAL 14 1HG2 VAL 14 3.834 5.061 0.585
111 HG13 VAL 14 2HG2 VAL 14 4.675 6.130 1.755
112 HG21 VAL 14 1HG1 VAL 14 3.586 3.139 3.890
113 HG22 VAL 14 2HG1 VAL 14 2.609 3.745 2.536
114 HG23 VAL 14 3HG1 VAL 14 3.365 4.895 3.683
115 H TYR 15 H TYR 15 5.187 0.723 0.664
116 HA TYR 15 HA TYR 15 6.691 -0.941 2.697
117 HB2 TYR 15 1HB TYR 15 4.289 -1.607 2.932
118 HB3 TYR 15 2HB TYR 15 4.191 -1.846 1.205
119 HD1 TYR 15 HD2 TYR 15 5.876 -3.108 4.314
120 HD2 TYR 15 HD1 TYR 15 5.060 -3.942 0.178
121 HE1 TYR 15 HE2 TYR 15 6.747 -5.377 4.603
122 HE2 TYR 15 HE1 TYR 15 5.923 -6.211 0.466
123 HH TYR 15 HH TYR 15 7.169 -7.342 3.621
124 H ASP 16 H ASP 16 5.624 -0.370 -0.688
125 HA ASP 16 HA ASP 16 7.811 -2.070 -1.770
126 HB2 ASP 16 1HB ASP 16 5.610 -1.907 -3.031
127 HB3 ASP 16 2HB ASP 16 5.996 -0.222 -3.310
128 HD2 ASP 16 HD2 ASP 16 7.823 -3.202 -5.367
129 H LYS 17 H LYS 17 7.183 1.419 -1.237
130 HA LYS 17 HA LYS 17 9.786 2.252 -2.364
131 HB2 LYS 17 2HB LYS 17 7.772 3.711 -2.351
132 HB3 LYS 17 1HB LYS 17 7.731 3.742 -0.607
133 HG2 LYS 17 2HG LYS 17 10.158 4.789 -2.198
134 HG3 LYS 17 1HG LYS 17 8.708 5.750 -2.045
135 HD2 LYS 17 1HD LYS 17 10.443 4.836 0.331
136 HD3 LYS 17 2HD LYS 17 10.473 6.407 -0.442
137 HE2 LYS 17 2HE LYS 17 8.040 6.791 0.240
138 HE3 LYS 17 1HE LYS 17 8.046 5.231 1.075
139 HZ1 LYS 17 2HZ LYS 17 8.511 7.055 2.559
140 HZ3 LYS 17 1HZ LYS 17 9.817 7.523 1.693
141 H VAL 18 H VAL 18 8.799 0.721 0.460
142 HA VAL 18 HA VAL 18 10.847 1.801 2.328
143 HB VAL 18 HB VAL 18 8.466 0.074 2.951
144 HG11 VAL 18 3HG2 VAL 18 10.652 0.528 4.960
145 HG12 VAL 18 1HG2 VAL 18 9.013 -0.149 5.263
146 HG13 VAL 18 2HG2 VAL 18 10.138 -1.023 4.217
147 HG21 VAL 18 1HG1 VAL 18 8.037 2.525 2.908
148 HG22 VAL 18 2HG1 VAL 18 9.308 2.767 4.138
149 HG23 VAL 18 3HG1 VAL 18 7.829 1.849 4.531
150 H LYS 19 H LYS 19 9.849 -1.322 1.002
151 HA LYS 19 HA LYS 19 12.235 -2.764 1.764
152 HB2 LYS 19 1HB LYS 19 10.041 -3.745 1.078
153 HB3 LYS 19 2HB LYS 19 10.294 -3.270 -0.585
154 HG2 LYS 19 1HG LYS 19 12.361 -5.087 0.797
155 HG3 LYS 19 2HG LYS 19 10.784 -5.748 0.407
156 HD2 LYS 19 2HD LYS 19 11.050 -5.182 -2.008
157 HD3 LYS 19 1HD LYS 19 12.628 -4.461 -1.701
158 HE2 LYS 19 2HE LYS 19 13.498 -6.700 -0.865
159 HE3 LYS 19 1HE LYS 19 11.915 -7.428 -1.179
160 HZ1 LYS 19 2HZ LYS 19 13.405 -7.814 -2.994
161 HZ3 LYS 19 1HZ LYS 19 12.165 -6.882 -3.510
162 H GLU 20 H GLU 20 12.000 -0.244 -0.535
163 HA GLU 20 HA GLU 20 14.136 -1.178 -2.362
164 HB2 GLU 20 1HB GLU 20 11.986 -0.284 -3.309
165 HB3 GLU 20 2HB GLU 20 12.407 1.263 -2.610
166 HG2 GLU 20 1HG GLU 20 14.098 -0.272 -4.670
167 HG3 GLU 20 2HG GLU 20 12.840 0.884 -5.096
168 HE2 GLU 20 HE2 GLU 20 16.510 2.136 -4.235
169 HN1 NH2 21 2HN NH2 21 13.593 2.019 -0.962
170 HN2 NH2 21 1HN NH2 21 14.287 1.191 0.439
Start of MODEL 21
1 H1 ACE 1 3HA ACE 1 -14.275 -4.734 -1.783
2 H2 ACE 1 1HA ACE 1 -12.987 -4.601 -0.551
3 H3 ACE 1 2HA ACE 1 -12.564 -4.883 -2.256
4 H GLU 1 H GLU 1 -14.584 -2.630 -0.459
5 HA GLU 1 HA GLU 1 -14.457 -0.466 -2.237
6 HB2 GLU 1 1HB GLU 1 -15.291 -0.547 0.722
7 HB3 GLU 1 2HB GLU 1 -15.620 0.767 -0.360
8 HG2 GLU 1 2HG GLU 1 -17.615 -0.302 -0.369
9 HG3 GLU 1 1HG GLU 1 -16.911 -0.693 -1.925
10 HE2 GLU 1 HE2 GLU 1 -17.100 -4.091 -1.437
11 H SER 2 H SER 2 -14.199 1.765 -0.498
12 HA SER 2 HA SER 2 -11.654 2.859 -1.033
13 HB2 SER 2 2HB SER 2 -13.778 4.046 -0.252
14 HB3 SER 2 1HB SER 2 -13.264 3.664 1.366
15 HG SER 2 HG SER 2 -12.536 5.700 0.674
16 H ALA 3 H ALA 3 -12.635 1.408 1.965
17 HA ALA 3 HA ALA 3 -9.886 1.544 3.094
18 HB1 ALA 3 3HB ALA 3 -11.946 1.759 4.584
19 HB2 ALA 3 1HB ALA 3 -12.341 0.044 4.243
20 HB3 ALA 3 2HB ALA 3 -10.865 0.461 5.161
21 H LYS 4 H LYS 4 -10.597 -0.149 0.947
22 HA LYS 4 HA LYS 4 -8.462 -2.120 1.309
23 HB2 LYS 4 2HB LYS 4 -10.832 -3.230 1.809
24 HB3 LYS 4 1HB LYS 4 -11.153 -3.039 0.100
25 HG2 LYS 4 2HG LYS 4 -10.514 -5.360 0.623
26 HG3 LYS 4 1HG LYS 4 -9.350 -4.657 -0.471
27 HD2 LYS 4 2HD LYS 4 -8.172 -6.003 1.148
28 HD3 LYS 4 1HD LYS 4 -7.713 -4.327 1.403
29 HE2 LYS 4 1HE LYS 4 -9.304 -4.195 3.394
30 HE3 LYS 4 2HE LYS 4 -9.796 -5.871 3.109
31 HZ1 LYS 4 2HZ LYS 4 -8.097 -5.682 4.801
32 HZ3 LYS 4 1HZ LYS 4 -7.054 -4.952 3.775
33 H HIS 5 H HIS 5 -9.297 0.204 -0.249
34 HA HIS 5 HA HIS 5 -7.656 -0.369 -2.708
35 HB2 HIS 5 2HB HIS 5 -9.865 1.779 -2.321
36 HB3 HIS 5 1HB HIS 5 -8.743 1.825 -3.665
37 HD2 HIS 5 HD2 HIS 5 -8.818 -1.410 -4.426
38 HE1 HIS 5 HE1 HIS 5 -12.706 -0.448 -5.546
39 HE2 HIS 5 HE2 HIS 5 -10.861 -2.201 -5.918
40 H MET 6 H MET 6 -8.177 1.979 -0.043
41 HA MET 6 HA MET 6 -5.679 3.430 -0.719
42 HB2 MET 6 1HB MET 6 -7.293 3.789 1.896
43 HB3 MET 6 2HB MET 6 -6.114 4.879 1.194
44 HG2 MET 6 1HG MET 6 -8.068 4.776 -0.840
45 HG3 MET 6 2HG MET 6 -9.042 4.560 0.602
46 HE1 MET 6 3HE MET 6 -7.161 7.107 -1.616
47 HE2 MET 6 1HE MET 6 -5.822 6.803 -0.467
48 HE3 MET 6 2HE MET 6 -6.640 8.393 -0.488
49 H PHE 7 H PHE 7 -6.948 1.116 1.707
50 HA PHE 7 HA PHE 7 -4.380 0.742 3.066
51 HB2 PHE 7 2HB PHE 7 -7.072 -0.627 2.989
52 HB3 PHE 7 1HB PHE 7 -5.808 -1.585 3.647
53 HD1 PHE 7 HD1 PHE 7 -4.642 -0.824 5.795
54 HD2 PHE 7 HD2 PHE 7 -7.978 1.355 4.173
55 HE1 PHE 7 HE1 PHE 7 -4.916 0.346 7.918
56 HE2 PHE 7 HE2 PHE 7 -8.257 2.517 6.293
57 HZ PHE 7 HZ PHE 7 -6.730 2.028 8.205
58 H ASP 8 H ASP 8 -6.019 -0.901 0.407
59 HA ASP 8 HA ASP 8 -4.132 -3.025 -0.101
60 HB2 ASP 8 1HB ASP 8 -6.353 -2.664 -1.219
61 HB3 ASP 8 2HB ASP 8 -5.644 -1.507 -2.309
62 HD2 ASP 8 HD2 ASP 8 -4.105 -3.863 -4.321
63 H ARG 9 H ARG 9 -4.252 0.257 -1.524
64 HA ARG 9 HA ARG 9 -1.675 0.174 -2.903
65 HB2 ARG 9 2HB ARG 9 -3.346 2.601 -1.999
66 HB3 ARG 9 1HB ARG 9 -1.829 2.781 -2.867
67 HG2 ARG 9 2HG ARG 9 -2.684 1.595 -4.849
68 HG3 ARG 9 1HG ARG 9 -4.182 1.169 -4.026
69 HD2 ARG 9 1HD ARG 9 -4.784 3.625 -3.813
70 HD3 ARG 9 2HD ARG 9 -3.284 4.061 -4.654
71 HH11 ARG 9 2HH2 ARG 9 -5.081 5.523 -5.186
72 HH12 ARG 9 1HH2 ARG 9 -6.054 5.957 -6.680
73 HH21 ARG 9 1HH1 ARG 9 -5.847 2.786 -8.009
74 HH22 ARG 9 2HH1 ARG 9 -6.457 4.509 -8.170
75 H ILE 10 H ILE 10 -2.518 1.843 0.193
76 HA ILE 10 HA ILE 10 0.072 2.622 1.008
77 HB ILE 10 HB ILE 10 -2.449 1.757 2.393
78 HG12 ILE 10 1HG1 ILE 10 -1.140 4.529 2.218
79 HG13 ILE 10 2HG1 ILE 10 -2.249 3.920 1.014
80 HG21 ILE 10 1HG2 ILE 10 -0.877 1.203 4.113
81 HG22 ILE 10 2HG2 ILE 10 -1.820 2.618 4.575
82 HG23 ILE 10 3HG2 ILE 10 -0.125 2.830 4.016
83 HD11 ILE 10 3HD1 ILE 10 -3.007 4.507 3.900
84 HD12 ILE 10 1HD1 ILE 10 -4.045 3.599 2.771
85 HD13 ILE 10 2HD1 ILE 10 -3.593 5.278 2.387
86 H GLY 11 H GLY 11 -1.428 -0.486 1.514
87 HA2 GLY 11 1HA GLY 11 0.602 -1.869 2.976
88 HA3 GLY 11 2HA GLY 11 -0.559 -2.679 1.876
89 H LYS 12 H LYS 12 0.558 -1.227 -0.415
90 HA LYS 12 HA LYS 12 3.394 -2.141 -0.679
91 HB2 LYS 12 1HB LYS 12 3.071 -3.390 -2.773
92 HB3 LYS 12 2HB LYS 12 2.124 -4.116 -1.494
93 HG2 LYS 12 2HG LYS 12 0.034 -3.016 -2.384
94 HG3 LYS 12 1HG LYS 12 0.947 -2.254 -3.673
95 HD2 LYS 12 2HD LYS 12 0.653 -5.297 -3.249
96 HD3 LYS 12 1HD LYS 12 -0.343 -4.351 -4.329
97 HE2 LYS 12 1HE LYS 12 2.712 -4.736 -4.658
98 HE3 LYS 12 2HE LYS 12 1.470 -5.653 -5.499
99 HZ1 LYS 12 2HZ LYS 12 1.826 -2.719 -5.727
100 HZ3 LYS 12 1HZ LYS 12 0.679 -3.589 -6.501
101 H ASP 13 H ASP 13 2.519 0.392 -0.321
102 HA ASP 13 HA ASP 13 3.898 1.703 -2.644
103 HB2 ASP 13 2HB ASP 13 1.305 2.220 -2.301
104 HB3 ASP 13 1HB ASP 13 1.841 3.082 -0.913
105 HD2 ASP 13 HD2 ASP 13 2.414 4.554 -4.632
106 H VAL 14 H VAL 14 3.080 2.043 0.794
107 HA VAL 14 HA VAL 14 5.970 2.858 1.090
108 HB VAL 14 HB VAL 14 5.645 4.193 2.986
109 HG11 VAL 14 3HG2 VAL 14 5.663 5.178 0.709
110 HG12 VAL 14 1HG2 VAL 14 3.888 5.129 0.647
111 HG13 VAL 14 2HG2 VAL 14 4.707 6.188 1.841
112 HG21 VAL 14 1HG1 VAL 14 3.347 4.977 3.754
113 HG22 VAL 14 2HG1 VAL 14 3.523 3.214 3.951
114 HG23 VAL 14 3HG1 VAL 14 2.586 3.852 2.584
115 H TYR 15 H TYR 15 5.133 0.767 0.761
116 HA TYR 15 HA TYR 15 6.566 -0.906 2.832
117 HB2 TYR 15 1HB TYR 15 4.119 -1.489 2.994
118 HB3 TYR 15 2HB TYR 15 4.102 -1.804 1.279
119 HD1 TYR 15 HD2 TYR 15 5.675 -2.917 4.499
120 HD2 TYR 15 HD1 TYR 15 4.901 -3.994 0.412
121 HE1 TYR 15 HE2 TYR 15 6.353 -5.217 4.984
122 HE2 TYR 15 HE1 TYR 15 5.575 -6.294 0.893
123 HH TYR 15 HH TYR 15 6.625 -7.285 4.166
124 H ASP 16 H ASP 16 5.650 -0.371 -0.560
125 HA ASP 16 HA ASP 16 7.954 -2.070 -1.409
126 HB2 ASP 16 1HB ASP 16 5.743 -2.143 -2.754
127 HB3 ASP 16 2HB ASP 16 6.120 -0.501 -3.229
128 HD2 ASP 16 HD2 ASP 16 7.634 -0.140 -4.628
129 H LYS 17 H LYS 17 7.145 1.388 -1.069
130 HA LYS 17 HA LYS 17 9.655 2.270 -2.299
131 HB2 LYS 17 2HB LYS 17 7.575 3.698 -2.080
132 HB3 LYS 17 1HB LYS 17 7.811 3.768 -0.336
133 HG2 LYS 17 2HG LYS 17 10.053 4.932 -0.754
134 HG3 LYS 17 1HG LYS 17 9.740 4.892 -2.483
135 HD2 LYS 17 2HD LYS 17 7.979 6.314 -0.373
136 HD3 LYS 17 1HD LYS 17 9.243 7.088 -1.320
137 HE2 LYS 17 2HE LYS 17 7.986 6.564 -3.468
138 HE3 LYS 17 1HE LYS 17 6.690 5.816 -2.523
139 HZ1 LYS 17 2HZ LYS 17 6.317 7.920 -1.422
140 HZ3 LYS 17 1HZ LYS 17 6.162 8.073 -3.043
141 H VAL 18 H VAL 18 8.889 0.820 0.838
142 HA VAL 18 HA VAL 18 11.233 1.994 2.182
143 HB VAL 18 HB VAL 18 10.631 1.149 4.158
144 HG11 VAL 18 1HG1 VAL 18 9.171 3.094 3.602
145 HG12 VAL 18 2HG1 VAL 18 8.324 2.002 4.727
146 HG13 VAL 18 3HG1 VAL 18 7.926 1.985 2.997
147 HG21 VAL 18 3HG2 VAL 18 8.672 -0.352 4.778
148 HG22 VAL 18 1HG2 VAL 18 8.626 -0.778 3.047
149 HG23 VAL 18 2HG2 VAL 18 10.071 -1.115 4.002
150 H LYS 19 H LYS 19 9.985 -1.166 1.390
151 HA LYS 19 HA LYS 19 12.448 -2.627 1.808
152 HB2 LYS 19 1HB LYS 19 10.113 -3.303 -0.081
153 HB3 LYS 19 2HB LYS 19 11.476 -4.381 0.167
154 HG2 LYS 19 1HG LYS 19 11.015 -4.529 2.625
155 HG3 LYS 19 2HG LYS 19 9.675 -3.406 2.458
156 HD2 LYS 19 1HD LYS 19 8.742 -5.582 2.595
157 HD3 LYS 19 2HD LYS 19 8.465 -5.013 0.951
158 HE2 LYS 19 2HE LYS 19 10.407 -6.469 0.145
159 HE3 LYS 19 1HE LYS 19 10.693 -6.998 1.810
160 HZ1 LYS 19 2HZ LYS 19 8.483 -7.953 1.845
161 HZ3 LYS 19 1HZ LYS 19 9.368 -8.580 0.622
162 H GLU 20 H GLU 20 11.980 -0.303 -0.592
163 HA GLU 20 HA GLU 20 13.853 -1.467 -2.587
164 HB2 GLU 20 1HB GLU 20 11.698 -0.630 -3.433
165 HB3 GLU 20 2HB GLU 20 12.086 0.936 -2.774
166 HG2 GLU 20 2HG GLU 20 12.458 1.027 -5.149
167 HG3 GLU 20 1HG GLU 20 14.014 1.186 -4.349
168 HE2 GLU 20 HE2 GLU 20 11.924 -0.852 -6.056
169 HN1 NH2 21 2HN NH2 21 13.569 1.855 -1.424
170 HN2 NH2 21 1HN NH2 21 14.416 1.125 -0.055
Start of MODEL 22
1 H1 ACE 1 3HA ACE 1 -12.923 -1.371 -3.779
2 H2 ACE 1 1HA ACE 1 -12.220 -2.963 -4.123
3 H3 ACE 1 2HA ACE 1 -11.351 -1.833 -3.063
4 H GLU 1 H GLU 1 -14.410 -2.696 -0.684
5 HA GLU 1 HA GLU 1 -14.428 -0.444 -2.354
6 HB2 GLU 1 2HB GLU 1 -15.160 -0.686 0.614
7 HB3 GLU 1 1HB GLU 1 -15.578 0.651 -0.417
8 HG2 GLU 1 2HG GLU 1 -17.530 -0.493 -0.416
9 HG3 GLU 1 1HG GLU 1 -16.839 -0.828 -1.992
10 HE2 GLU 1 HE2 GLU 1 -17.215 -2.001 1.195
11 H SER 2 H SER 2 -14.197 1.727 -0.557
12 HA SER 2 HA SER 2 -11.650 2.843 -1.069
13 HB2 SER 2 2HB SER 2 -13.788 4.031 -0.334
14 HB3 SER 2 1HB SER 2 -13.306 3.658 1.297
15 HG SER 2 HG SER 2 -11.324 4.734 0.895
16 H ALA 3 H ALA 3 -12.672 1.428 1.935
17 HA ALA 3 HA ALA 3 -9.931 1.562 3.081
18 HB1 ALA 3 3HB ALA 3 -12.004 1.806 4.559
19 HB2 ALA 3 1HB ALA 3 -12.402 0.089 4.235
20 HB3 ALA 3 2HB ALA 3 -10.931 0.511 5.158
21 H LYS 4 H LYS 4 -10.672 -0.182 0.959
22 HA LYS 4 HA LYS 4 -8.563 -2.189 1.391
23 HB2 LYS 4 2HB LYS 4 -11.368 -2.945 0.277
24 HB3 LYS 4 1HB LYS 4 -9.986 -4.023 0.132
25 HG2 LYS 4 2HG LYS 4 -9.818 -4.195 2.647
26 HG3 LYS 4 1HG LYS 4 -11.246 -3.168 2.806
27 HD2 LYS 4 1HD LYS 4 -12.613 -4.843 1.494
28 HD3 LYS 4 2HD LYS 4 -11.191 -5.881 1.338
29 HE2 LYS 4 2HE LYS 4 -11.073 -6.103 3.871
30 HE3 LYS 4 1HE LYS 4 -12.498 -5.064 4.027
31 HZ1 LYS 4 2HZ LYS 4 -13.054 -7.402 4.106
32 HZ3 LYS 4 1HZ LYS 4 -12.404 -7.682 2.632
33 H HIS 5 H HIS 5 -9.308 0.159 -0.231
34 HA HIS 5 HA HIS 5 -7.632 -0.542 -2.633
35 HB2 HIS 5 2HB HIS 5 -10.072 0.200 -3.179
36 HB3 HIS 5 1HB HIS 5 -9.655 1.798 -2.572
37 HD2 HIS 5 HD2 HIS 5 -8.561 -0.827 -5.275
38 HE1 HIS 5 HE1 HIS 5 -6.978 2.803 -6.544
39 HE2 HIS 5 HE2 HIS 5 -7.242 0.347 -7.255
40 H MET 6 H MET 6 -8.195 1.894 -0.056
41 HA MET 6 HA MET 6 -5.709 3.355 -0.747
42 HB2 MET 6 1HB MET 6 -7.338 3.774 1.845
43 HB3 MET 6 2HB MET 6 -6.162 4.849 1.116
44 HG2 MET 6 2HG MET 6 -8.103 4.671 -0.924
45 HG3 MET 6 1HG MET 6 -9.084 4.493 0.516
46 HE1 MET 6 3HE MET 6 -5.869 6.721 -0.601
47 HE2 MET 6 1HE MET 6 -6.695 8.305 -0.677
48 HE3 MET 6 2HE MET 6 -7.204 6.983 -1.767
49 H PHE 7 H PHE 7 -6.979 1.049 1.685
50 HA PHE 7 HA PHE 7 -4.431 0.757 3.113
51 HB2 PHE 7 1HB PHE 7 -7.118 -0.616 3.032
52 HB3 PHE 7 2HB PHE 7 -5.863 -1.592 3.686
53 HD1 PHE 7 HD1 PHE 7 -4.686 -0.843 5.833
54 HD2 PHE 7 HD2 PHE 7 -8.009 1.365 4.221
55 HE1 PHE 7 HE1 PHE 7 -4.951 0.321 7.962
56 HE2 PHE 7 HE2 PHE 7 -8.277 2.521 6.346
57 HZ PHE 7 HZ PHE 7 -6.753 2.015 8.254
58 H ASP 8 H ASP 8 -6.017 -0.966 0.481
59 HA ASP 8 HA ASP 8 -4.100 -3.073 0.019
60 HB2 ASP 8 1HB ASP 8 -6.315 -2.758 -1.124
61 HB3 ASP 8 2HB ASP 8 -5.612 -1.608 -2.224
62 HD2 ASP 8 HD2 ASP 8 -4.184 -2.282 -3.649
63 H ARG 9 H ARG 9 -4.248 0.182 -1.455
64 HA ARG 9 HA ARG 9 -1.660 0.098 -2.810
65 HB2 ARG 9 1HB ARG 9 -3.327 2.562 -1.998
66 HB3 ARG 9 2HB ARG 9 -1.859 2.684 -2.942
67 HG2 ARG 9 2HG ARG 9 -4.375 1.152 -3.865
68 HG3 ARG 9 1HG ARG 9 -3.987 2.814 -4.286
69 HD2 ARG 9 1HD ARG 9 -1.859 2.069 -5.414
70 HD3 ARG 9 2HD ARG 9 -2.195 0.395 -5.021
71 HH11 ARG 9 2HH2 ARG 9 -3.767 -0.973 -5.311
72 HH12 ARG 9 1HH2 ARG 9 -4.766 -1.721 -6.656
73 HH21 ARG 9 1HH1 ARG 9 -4.624 1.097 -8.633
74 HH22 ARG 9 2HH1 ARG 9 -5.218 -0.625 -8.410
75 H ILE 10 H ILE 10 -2.551 1.831 0.240
76 HA ILE 10 HA ILE 10 0.019 2.670 1.060
77 HB ILE 10 HB ILE 10 -2.501 1.791 2.438
78 HG12 ILE 10 1HG1 ILE 10 -1.234 4.580 2.220
79 HG13 ILE 10 2HG1 ILE 10 -2.323 3.931 1.020
80 HG21 ILE 10 1HG2 ILE 10 -0.939 1.298 4.185
81 HG22 ILE 10 2HG2 ILE 10 -0.214 2.935 4.065
82 HG23 ILE 10 3HG2 ILE 10 -1.912 2.703 4.608
83 HD11 ILE 10 3HD1 ILE 10 -3.705 5.289 2.353
84 HD12 ILE 10 1HD1 ILE 10 -4.127 3.612 2.773
85 HD13 ILE 10 2HD1 ILE 10 -3.114 4.564 3.887
86 H GLY 11 H GLY 11 -1.433 -0.450 1.619
87 HA2 GLY 11 1HA GLY 11 0.606 -1.757 3.137
88 HA3 GLY 11 2HA GLY 11 -0.526 -2.617 2.044
89 H LYS 12 H LYS 12 0.561 -1.226 -0.291
90 HA LYS 12 HA LYS 12 3.414 -2.123 -0.520
91 HB2 LYS 12 2HB LYS 12 1.314 -3.014 -2.640
92 HB3 LYS 12 1HB LYS 12 3.041 -3.226 -2.759
93 HG2 LYS 12 2HG LYS 12 2.566 -5.330 -2.124
94 HG3 LYS 12 1HG LYS 12 2.849 -4.661 -0.529
95 HD2 LYS 12 2HD LYS 12 0.276 -4.349 -0.311
96 HD3 LYS 12 1HD LYS 12 0.103 -5.104 -1.894
97 HE2 LYS 12 1HE LYS 12 1.205 -7.220 -1.001
98 HE3 LYS 12 2HE LYS 12 1.386 -6.454 0.584
99 HZ1 LYS 12 2HZ LYS 12 -1.202 -6.924 -0.792
100 HZ3 LYS 12 1HZ LYS 12 -1.033 -6.217 0.672
101 H ASP 13 H ASP 13 2.510 0.425 -0.198
102 HA ASP 13 HA ASP 13 3.856 1.698 -2.566
103 HB2 ASP 13 1HB ASP 13 1.278 2.205 -2.214
104 HB3 ASP 13 2HB ASP 13 1.808 3.089 -0.835
105 HD2 ASP 13 HD2 ASP 13 1.878 2.851 -4.182
106 H VAL 14 H VAL 14 3.095 2.099 0.872
107 HA VAL 14 HA VAL 14 5.983 2.951 1.104
108 HB VAL 14 HB VAL 14 5.680 4.316 2.983
109 HG11 VAL 14 1HG1 VAL 14 3.848 5.188 0.676
110 HG12 VAL 14 2HG1 VAL 14 5.623 5.265 0.692
111 HG13 VAL 14 3HG1 VAL 14 4.681 6.277 1.833
112 HG21 VAL 14 3HG2 VAL 14 3.388 5.075 3.796
113 HG22 VAL 14 1HG2 VAL 14 2.616 3.922 2.662
114 HG23 VAL 14 2HG2 VAL 14 3.597 3.318 4.015
115 H TYR 15 H TYR 15 5.142 0.840 0.829
116 HA TYR 15 HA TYR 15 6.644 -0.764 2.888
117 HB2 TYR 15 2HB TYR 15 4.259 -1.462 3.161
118 HB3 TYR 15 1HB TYR 15 4.165 -1.750 1.439
119 HD1 TYR 15 HD2 TYR 15 5.947 -2.887 4.562
120 HD2 TYR 15 HD1 TYR 15 4.983 -3.884 0.491
121 HE1 TYR 15 HE2 TYR 15 6.929 -5.110 4.873
122 HE2 TYR 15 HE1 TYR 15 5.967 -6.103 0.806
123 HH TYR 15 HH TYR 15 7.415 -7.071 3.923
124 H ASP 16 H ASP 16 5.622 -0.296 -0.497
125 HA ASP 16 HA ASP 16 7.908 -1.989 -1.418
126 HB2 ASP 16 2HB ASP 16 5.659 -2.062 -2.692
127 HB3 ASP 16 1HB ASP 16 6.018 -0.416 -3.174
128 HD2 ASP 16 HD2 ASP 16 8.223 -1.274 -5.682
129 H LYS 17 H LYS 17 7.143 1.477 -1.063
130 HA LYS 17 HA LYS 17 9.643 2.290 -2.370
131 HB2 LYS 17 1HB LYS 17 7.597 3.772 -2.128
132 HB3 LYS 17 2HB LYS 17 7.872 3.861 -0.391
133 HG2 LYS 17 2HG LYS 17 10.098 5.004 -0.829
134 HG3 LYS 17 1HG LYS 17 9.830 4.857 -2.568
135 HD2 LYS 17 2HD LYS 17 7.737 6.275 -2.359
136 HD3 LYS 17 1HD LYS 17 8.006 6.414 -0.617
137 HE2 LYS 17 2HE LYS 17 10.232 7.571 -1.052
138 HE3 LYS 17 1HE LYS 17 9.962 7.432 -2.796
139 HZ1 LYS 17 2HZ LYS 17 7.982 8.782 -2.563
140 HZ3 LYS 17 1HZ LYS 17 9.297 9.574 -2.000
141 H VAL 18 H VAL 18 8.920 0.906 0.801
142 HA VAL 18 HA VAL 18 11.359 1.997 2.045
143 HB VAL 18 HB VAL 18 10.777 1.250 4.053
144 HG11 VAL 18 3HG2 VAL 18 8.516 2.173 4.665
145 HG12 VAL 18 1HG2 VAL 18 8.043 2.081 2.956
146 HG13 VAL 18 2HG2 VAL 18 9.330 3.197 3.455
147 HG21 VAL 18 1HG1 VAL 18 8.704 -0.686 3.088
148 HG22 VAL 18 2HG1 VAL 18 8.822 -0.189 4.798
149 HG23 VAL 18 3HG1 VAL 18 10.178 -1.007 4.004
150 H LYS 19 H LYS 19 9.962 -1.110 1.364
151 HA LYS 19 HA LYS 19 12.317 -2.715 1.757
152 HB2 LYS 19 2HB LYS 19 9.909 -3.500 1.503
153 HB3 LYS 19 1HB LYS 19 10.040 -3.292 -0.239
154 HG2 LYS 19 2HG LYS 19 11.832 -5.071 -0.301
155 HG3 LYS 19 1HG LYS 19 11.793 -5.191 1.460
156 HD2 LYS 19 1HD LYS 19 9.364 -5.896 1.357
157 HD3 LYS 19 2HD LYS 19 9.386 -5.800 -0.396
158 HE2 LYS 19 1HE LYS 19 11.170 -7.700 1.286
159 HE3 LYS 19 2HE LYS 19 9.620 -8.146 0.579
160 HZ1 LYS 19 2HZ LYS 19 11.403 -8.848 -0.820
161 HZ3 LYS 19 1HZ LYS 19 10.508 -7.734 -1.613
162 H GLU 20 H GLU 20 11.907 -0.402 -0.701
163 HA GLU 20 HA GLU 20 13.691 -1.669 -2.711
164 HB2 GLU 20 1HB GLU 20 11.557 -0.780 -3.534
165 HB3 GLU 20 2HB GLU 20 11.988 0.785 -2.899
166 HG2 GLU 20 2HG GLU 20 12.319 0.834 -5.281
167 HG3 GLU 20 1HG GLU 20 13.894 0.978 -4.518
168 HE2 GLU 20 HE2 GLU 20 15.267 -0.609 -4.668
169 HN1 NH2 21 2HN NH2 21 13.550 1.682 -1.608
170 HN2 NH2 21 1HN NH2 21 14.400 0.950 -0.242
Start of MODEL 23
1 H1 ACE 1 3HA ACE 1 -13.135 -4.418 -0.225
2 H2 ACE 1 1HA ACE 1 -12.604 -4.860 -1.865
3 H3 ACE 1 2HA ACE 1 -14.336 -4.612 -1.535
4 H GLU 1 H GLU 1 -14.698 -2.380 -0.464
5 HA GLU 1 HA GLU 1 -14.241 -0.370 -2.360
6 HB2 GLU 1 2HB GLU 1 -15.334 -0.031 0.470
7 HB3 GLU 1 1HB GLU 1 -15.570 1.060 -0.878
8 HG2 GLU 1 1HG GLU 1 -16.725 -1.698 -0.603
9 HG3 GLU 1 2HG GLU 1 -17.537 -0.126 -0.484
10 HE2 GLU 1 HE2 GLU 1 -17.747 1.084 -2.247
11 H SER 2 H SER 2 -14.112 1.789 -0.469
12 HA SER 2 HA SER 2 -11.555 2.934 -0.964
13 HB2 SER 2 2HB SER 2 -13.663 4.126 -0.196
14 HB3 SER 2 1HB SER 2 -13.208 3.687 1.424
15 HG SER 2 HG SER 2 -11.208 4.758 1.090
16 H ALA 3 H ALA 3 -12.553 1.454 2.001
17 HA ALA 3 HA ALA 3 -9.806 1.566 3.135
18 HB1 ALA 3 3HB ALA 3 -10.788 0.491 5.206
19 HB2 ALA 3 1HB ALA 3 -12.271 0.087 4.290
20 HB3 ALA 3 2HB ALA 3 -11.859 1.798 4.631
21 H LYS 4 H LYS 4 -10.535 -0.130 0.994
22 HA LYS 4 HA LYS 4 -8.406 -2.103 1.363
23 HB2 LYS 4 1HB LYS 4 -11.032 -3.087 1.671
24 HB3 LYS 4 2HB LYS 4 -10.833 -3.328 -0.043
25 HG2 LYS 4 1HG LYS 4 -9.021 -4.466 2.195
26 HG3 LYS 4 2HG LYS 4 -10.319 -5.340 1.396
27 HD2 LYS 4 2HD LYS 4 -9.093 -5.156 -0.813
28 HD3 LYS 4 1HD LYS 4 -7.753 -4.350 -0.012
29 HE2 LYS 4 2HE LYS 4 -8.722 -7.211 0.668
30 HE3 LYS 4 1HE LYS 4 -7.420 -6.834 -0.458
31 HZ1 LYS 4 2HZ LYS 4 -6.590 -7.381 1.724
32 HZ3 LYS 4 1HZ LYS 4 -7.426 -6.166 2.429
33 H HIS 5 H HIS 5 -9.237 0.204 -0.209
34 HA HIS 5 HA HIS 5 -7.634 -0.436 -2.666
35 HB2 HIS 5 2HB HIS 5 -10.061 0.254 -3.155
36 HB3 HIS 5 1HB HIS 5 -9.762 1.803 -2.375
37 HD2 HIS 5 HD2 HIS 5 -7.977 -0.350 -5.190
38 HE1 HIS 5 HE1 HIS 5 -7.974 3.601 -6.493
39 HE2 HIS 5 HE2 HIS 5 -7.256 1.233 -7.195
40 H MET 6 H MET 6 -8.120 1.968 -0.035
41 HA MET 6 HA MET 6 -5.625 3.400 -0.756
42 HB2 MET 6 2HB MET 6 -7.229 3.798 1.863
43 HB3 MET 6 1HB MET 6 -6.055 4.882 1.139
44 HG2 MET 6 2HG MET 6 -7.977 4.760 -0.886
45 HG3 MET 6 1HG MET 6 -8.992 4.528 0.522
46 HE1 MET 6 3HE MET 6 -9.720 6.385 2.186
47 HE2 MET 6 1HE MET 6 -8.724 7.820 2.570
48 HE3 MET 6 2HE MET 6 -8.103 6.183 2.932
49 H PHE 7 H PHE 7 -6.881 1.133 1.723
50 HA PHE 7 HA PHE 7 -4.299 0.767 3.057
51 HB2 PHE 7 1HB PHE 7 -7.000 -0.591 3.034
52 HB3 PHE 7 2HB PHE 7 -5.736 -1.543 3.695
53 HD1 PHE 7 HD1 PHE 7 -4.531 -0.742 5.811
54 HD2 PHE 7 HD2 PHE 7 -7.895 1.403 4.202
55 HE1 PHE 7 HE1 PHE 7 -4.780 0.459 7.922
56 HE2 PHE 7 HE2 PHE 7 -8.149 2.597 6.309
57 HZ PHE 7 HZ PHE 7 -6.595 2.141 8.206
58 H ASP 8 H ASP 8 -5.994 -0.925 0.457
59 HA ASP 8 HA ASP 8 -4.134 -3.073 -0.024
60 HB2 ASP 8 1HB ASP 8 -6.386 -2.681 -1.104
61 HB3 ASP 8 2HB ASP 8 -5.653 -1.607 -2.258
62 HD2 ASP 8 HD2 ASP 8 -4.201 -4.135 -4.142
63 H ARG 9 H ARG 9 -4.239 0.189 -1.506
64 HA ARG 9 HA ARG 9 -1.687 0.033 -2.929
65 HB2 ARG 9 1HB ARG 9 -3.362 2.483 -2.101
66 HB3 ARG 9 2HB ARG 9 -1.818 2.654 -2.922
67 HG2 ARG 9 2HG ARG 9 -2.601 1.376 -4.887
68 HG3 ARG 9 1HG ARG 9 -4.155 1.041 -4.123
69 HD2 ARG 9 1HD ARG 9 -4.758 3.461 -4.113
70 HD3 ARG 9 2HD ARG 9 -3.147 3.903 -4.709
71 HH11 ARG 9 1HH1 ARG 9 -4.686 5.403 -5.563
72 HH12 ARG 9 2HH1 ARG 9 -5.343 5.861 -7.214
73 HH21 ARG 9 2HH2 ARG 9 -5.109 2.653 -8.445
74 HH22 ARG 9 1HH2 ARG 9 -5.565 4.406 -8.734
75 H ILE 10 H ILE 10 -2.469 1.795 0.137
76 HA ILE 10 HA ILE 10 0.139 2.562 0.890
77 HB ILE 10 HB ILE 10 -2.369 1.756 2.336
78 HG12 ILE 10 2HG1 ILE 10 -1.033 4.509 2.084
79 HG13 ILE 10 1HG1 ILE 10 -2.164 3.885 0.907
80 HG21 ILE 10 1HG2 ILE 10 -0.010 2.837 3.902
81 HG22 ILE 10 2HG2 ILE 10 -0.780 1.223 4.045
82 HG23 ILE 10 3HG2 ILE 10 -1.700 2.658 4.489
83 HD11 ILE 10 3HD1 ILE 10 -3.481 5.282 2.271
84 HD12 ILE 10 1HD1 ILE 10 -2.876 4.540 3.791
85 HD13 ILE 10 2HD1 ILE 10 -3.938 3.616 2.699
86 H GLY 11 H GLY 11 -1.379 -0.518 1.489
87 HA2 GLY 11 1HA GLY 11 0.639 -1.894 2.971
88 HA3 GLY 11 2HA GLY 11 -0.519 -2.715 1.879
89 H LYS 12 H LYS 12 0.569 -1.333 -0.452
90 HA LYS 12 HA LYS 12 3.412 -2.213 -0.701
91 HB2 LYS 12 2HB LYS 12 1.826 -4.187 -1.404
92 HB3 LYS 12 1HB LYS 12 1.336 -3.207 -2.780
93 HG2 LYS 12 2HG LYS 12 3.735 -3.195 -3.599
94 HG3 LYS 12 1HG LYS 12 4.239 -4.096 -2.169
95 HD2 LYS 12 1HD LYS 12 2.753 -6.016 -2.862
96 HD3 LYS 12 2HD LYS 12 2.234 -5.133 -4.289
97 HE2 LYS 12 2HE LYS 12 5.166 -5.960 -3.704
98 HE3 LYS 12 1HE LYS 12 4.041 -6.890 -4.690
99 HZ1 LYS 12 2HZ LYS 12 5.433 -5.546 -6.062
100 HZ3 LYS 12 1HZ LYS 12 3.883 -5.055 -6.229
101 H ASP 13 H ASP 13 2.555 0.287 -0.420
102 HA ASP 13 HA ASP 13 3.874 1.550 -2.789
103 HB2 ASP 13 1HB ASP 13 1.281 2.041 -2.450
104 HB3 ASP 13 2HB ASP 13 1.805 2.944 -1.085
105 HD2 ASP 13 HD2 ASP 13 3.094 5.640 -2.845
106 H VAL 14 H VAL 14 3.054 1.963 0.643
107 HA VAL 14 HA VAL 14 5.926 2.847 0.915
108 HB VAL 14 HB VAL 14 5.578 4.202 2.783
109 HG11 VAL 14 3HG2 VAL 14 5.564 5.153 0.496
110 HG12 VAL 14 1HG2 VAL 14 4.586 6.158 1.612
111 HG13 VAL 14 2HG2 VAL 14 3.791 5.060 0.437
112 HG21 VAL 14 1HG1 VAL 14 3.260 4.955 3.543
113 HG22 VAL 14 2HG1 VAL 14 2.523 3.786 2.401
114 HG23 VAL 14 3HG1 VAL 14 3.477 3.202 3.780
115 H TYR 15 H TYR 15 5.159 0.741 0.629
116 HA TYR 15 HA TYR 15 6.663 -0.845 2.710
117 HB2 TYR 15 1HB TYR 15 4.298 -1.592 2.991
118 HB3 TYR 15 2HB TYR 15 4.170 -1.853 1.267
119 HD1 TYR 15 HD1 TYR 15 6.044 -3.019 4.325
120 HD2 TYR 15 HD2 TYR 15 4.974 -3.965 0.268
121 HE1 TYR 15 HE1 TYR 15 7.082 -5.224 4.565
122 HE2 TYR 15 HE2 TYR 15 6.017 -6.165 0.511
123 HH TYR 15 HH TYR 15 7.135 -7.550 1.849
124 H ASP 16 H ASP 16 5.605 -0.381 -0.693
125 HA ASP 16 HA ASP 16 7.819 -2.092 -1.728
126 HB2 ASP 16 1HB ASP 16 5.582 -1.958 -2.970
127 HB3 ASP 16 2HB ASP 16 6.016 -0.307 -3.351
128 HD2 ASP 16 HD2 ASP 16 6.873 -3.566 -3.659
129 H LYS 17 H LYS 17 7.140 1.398 -1.268
130 HA LYS 17 HA LYS 17 9.746 2.216 -2.435
131 HB2 LYS 17 2HB LYS 17 7.691 3.780 -0.756
132 HB3 LYS 17 1HB LYS 17 9.159 4.490 -1.399
133 HG2 LYS 17 2HG LYS 17 8.451 4.177 -3.727
134 HG3 LYS 17 1HG LYS 17 7.055 3.217 -3.248
135 HD2 LYS 17 1HD LYS 17 6.106 5.212 -1.993
136 HD3 LYS 17 2HD LYS 17 7.471 6.190 -2.548
137 HE2 LYS 17 2HE LYS 17 6.774 5.770 -4.965
138 HE3 LYS 17 1HE LYS 17 5.415 4.785 -4.399
139 HZ1 LYS 17 2HZ LYS 17 5.836 7.662 -3.807
140 HZ3 LYS 17 1HZ LYS 17 4.768 7.049 -4.882
141 H VAL 18 H VAL 18 8.772 0.758 0.409
142 HA VAL 18 HA VAL 18 10.783 1.956 2.250
143 HB VAL 18 HB VAL 18 8.411 0.233 2.927
144 HG11 VAL 18 3HG2 VAL 18 8.928 0.148 5.255
145 HG12 VAL 18 1HG2 VAL 18 10.560 0.838 4.937
146 HG13 VAL 18 2HG2 VAL 18 10.084 -0.761 4.275
147 HG21 VAL 18 1HG1 VAL 18 7.935 2.664 2.743
148 HG22 VAL 18 2HG1 VAL 18 7.720 2.076 4.399
149 HG23 VAL 18 3HG1 VAL 18 9.186 3.002 3.972
150 H LYS 19 H LYS 19 9.814 -1.236 1.059
151 HA LYS 19 HA LYS 19 12.209 -2.610 1.942
152 HB2 LYS 19 1HB LYS 19 9.929 -3.588 1.296
153 HB3 LYS 19 2HB LYS 19 10.339 -3.341 -0.397
154 HG2 LYS 19 1HG LYS 19 12.252 -4.971 -0.157
155 HG3 LYS 19 2HG LYS 19 11.942 -5.103 1.577
156 HD2 LYS 19 2HD LYS 19 9.625 -6.017 1.088
157 HD3 LYS 19 1HD LYS 19 9.948 -5.898 -0.646
158 HE2 LYS 19 2HE LYS 19 11.877 -7.536 -0.401
159 HE3 LYS 19 1HE LYS 19 11.566 -7.645 1.338
160 HZ1 LYS 19 2HZ LYS 19 9.670 -8.407 -0.814
161 HZ3 LYS 19 1HZ LYS 19 10.539 -9.439 0.109
162 H GLU 20 H GLU 20 11.983 -0.236 -0.480
163 HA GLU 20 HA GLU 20 14.093 -1.303 -2.268
164 HB2 GLU 20 1HB GLU 20 11.929 -0.533 -3.269
165 HB3 GLU 20 2HB GLU 20 12.307 1.073 -2.690
166 HG2 GLU 20 1HG GLU 20 14.041 -0.561 -4.630
167 HG3 GLU 20 2HG GLU 20 12.744 0.514 -5.147
168 HE2 GLU 20 HE2 GLU 20 14.436 3.500 -4.524
169 HN1 NH2 21 2HN NH2 21 14.271 1.296 0.334
170 HN2 NH2 21 1HN NH2 21 13.486 1.971 -1.103
Start of MODEL 24
1 H1 ACE 1 3HA ACE 1 -12.194 -4.571 -3.065
2 H2 ACE 1 1HA ACE 1 -12.504 -4.548 -1.313
3 H3 ACE 1 2HA ACE 1 -13.868 -4.658 -2.463
4 H GLU 1 H GLU 1 -14.367 -2.758 -0.925
5 HA GLU 1 HA GLU 1 -14.417 -0.359 -2.359
6 HB2 GLU 1 2HB GLU 1 -15.061 -0.916 0.595
7 HB3 GLU 1 1HB GLU 1 -15.514 0.550 -0.212
8 HG2 GLU 1 1HG GLU 1 -16.899 -0.455 -1.846
9 HG3 GLU 1 2HG GLU 1 -16.469 -2.092 -1.331
10 HE2 GLU 1 HE2 GLU 1 -19.163 0.137 0.704
11 H SER 2 H SER 2 -14.208 1.618 -0.484
12 HA SER 2 HA SER 2 -11.688 2.847 -0.949
13 HB2 SER 2 2HB SER 2 -13.851 3.953 -0.181
14 HB3 SER 2 1HB SER 2 -13.382 3.516 1.436
15 HG SER 2 HG SER 2 -11.837 5.052 -0.379
16 H ALA 3 H ALA 3 -12.681 1.288 1.993
17 HA ALA 3 HA ALA 3 -9.942 1.451 3.149
18 HB1 ALA 3 3HB ALA 3 -12.390 -0.085 4.268
19 HB2 ALA 3 1HB ALA 3 -12.013 1.628 4.637
20 HB3 ALA 3 2HB ALA 3 -10.922 0.332 5.199
21 H LYS 4 H LYS 4 -10.670 -0.246 0.982
22 HA LYS 4 HA LYS 4 -8.523 -2.224 1.350
23 HB2 LYS 4 1HB LYS 4 -11.323 -2.990 0.238
24 HB3 LYS 4 2HB LYS 4 -9.946 -4.056 0.053
25 HG2 LYS 4 2HG LYS 4 -11.219 -3.295 2.751
26 HG3 LYS 4 1HG LYS 4 -11.507 -4.774 1.852
27 HD2 LYS 4 1HD LYS 4 -9.073 -5.418 2.066
28 HD3 LYS 4 2HD LYS 4 -8.758 -3.939 2.979
29 HE2 LYS 4 1HE LYS 4 -10.396 -4.685 4.772
30 HE3 LYS 4 2HE LYS 4 -10.716 -6.170 3.863
31 HZ1 LYS 4 2HZ LYS 4 -8.356 -6.723 4.067
32 HZ3 LYS 4 1HZ LYS 4 -8.059 -5.352 4.906
33 H HIS 5 H HIS 5 -9.306 0.149 -0.203
34 HA HIS 5 HA HIS 5 -7.635 -0.463 -2.630
35 HB2 HIS 5 2HB HIS 5 -10.008 0.219 -3.265
36 HB3 HIS 5 1HB HIS 5 -9.808 1.735 -2.393
37 HD2 HIS 5 HD2 HIS 5 -7.937 -0.236 -5.277
38 HE1 HIS 5 HE1 HIS 5 -7.372 3.816 -6.030
39 HE2 HIS 5 HE2 HIS 5 -6.832 1.484 -6.969
40 H MET 6 H MET 6 -8.225 1.908 0.015
41 HA MET 6 HA MET 6 -5.737 3.378 -0.627
42 HB2 MET 6 1HB MET 6 -7.376 3.728 1.969
43 HB3 MET 6 2HB MET 6 -6.193 4.822 1.276
44 HG2 MET 6 2HG MET 6 -8.098 4.712 -0.780
45 HG3 MET 6 1HG MET 6 -9.115 4.493 0.638
46 HE1 MET 6 3HE MET 6 -9.436 8.397 -0.215
47 HE2 MET 6 1HE MET 6 -9.223 7.056 -1.379
48 HE3 MET 6 2HE MET 6 -10.345 6.874 0.006
49 H PHE 7 H PHE 7 -6.990 1.022 1.761
50 HA PHE 7 HA PHE 7 -4.424 0.715 3.158
51 HB2 PHE 7 2HB PHE 7 -7.100 -0.684 3.053
52 HB3 PHE 7 1HB PHE 7 -5.843 -1.655 3.690
53 HD1 PHE 7 HD1 PHE 7 -4.669 -0.926 5.856
54 HD2 PHE 7 HD2 PHE 7 -8.024 1.260 4.280
55 HE1 PHE 7 HE1 PHE 7 -4.952 0.196 8.003
56 HE2 PHE 7 HE2 PHE 7 -8.311 2.375 6.423
57 HZ PHE 7 HZ PHE 7 -6.780 1.858 8.325
58 H ASP 8 H ASP 8 -6.010 -0.935 0.481
59 HA ASP 8 HA ASP 8 -4.098 -3.041 -0.009
60 HB2 ASP 8 2HB ASP 8 -6.307 -2.725 -1.155
61 HB3 ASP 8 1HB ASP 8 -5.615 -1.550 -2.231
62 HD2 ASP 8 HD2 ASP 8 -4.030 -3.855 -4.256
63 H ARG 9 H ARG 9 -4.239 0.228 -1.486
64 HA ARG 9 HA ARG 9 -1.604 0.005 -2.747
65 HB2 ARG 9 1HB ARG 9 -1.603 2.260 -3.474
66 HB3 ARG 9 2HB ARG 9 -3.137 1.486 -3.815
67 HG2 ARG 9 1HG ARG 9 -3.926 2.690 -1.560
68 HG3 ARG 9 2HG ARG 9 -2.519 3.703 -1.774
69 HD2 ARG 9 1HD ARG 9 -4.873 3.349 -3.769
70 HD3 ARG 9 2HD ARG 9 -4.652 4.691 -2.673
71 HH11 ARG 9 2HH1 ARG 9 -4.475 2.918 -5.611
72 HH12 ARG 9 1HH1 ARG 9 -3.747 3.432 -7.215
73 HH21 ARG 9 2HH2 ARG 9 -1.933 6.006 -5.827
74 HH22 ARG 9 1HH2 ARG 9 -2.406 5.060 -7.326
75 H ILE 10 H ILE 10 -2.562 1.801 0.269
76 HA ILE 10 HA ILE 10 -0.002 2.685 1.061
77 HB ILE 10 HB ILE 10 -2.496 1.774 2.468
78 HG12 ILE 10 1HG1 ILE 10 -1.266 4.579 2.224
79 HG13 ILE 10 2HG1 ILE 10 -2.365 3.910 1.044
80 HG21 ILE 10 1HG2 ILE 10 -0.222 2.960 4.082
81 HG22 ILE 10 2HG2 ILE 10 -1.913 2.697 4.630
82 HG23 ILE 10 3HG2 ILE 10 -0.916 1.309 4.207
83 HD11 ILE 10 3HD1 ILE 10 -4.129 3.567 2.849
84 HD12 ILE 10 1HD1 ILE 10 -3.758 5.243 2.378
85 HD13 ILE 10 2HD1 ILE 10 -3.113 4.569 3.914
86 H GLY 11 H GLY 11 -1.408 -0.459 1.677
87 HA2 GLY 11 2HA GLY 11 0.719 -1.697 3.148
88 HA3 GLY 11 1HA GLY 11 -0.455 -2.596 2.138
89 H LYS 12 H LYS 12 0.595 -1.178 -0.215
90 HA LYS 12 HA LYS 12 3.428 -2.077 -0.552
91 HB2 LYS 12 2HB LYS 12 2.991 -3.327 -2.677
92 HB3 LYS 12 1HB LYS 12 2.176 -4.059 -1.313
93 HG2 LYS 12 1HG LYS 12 -0.001 -3.020 -2.007
94 HG3 LYS 12 2HG LYS 12 0.780 -2.224 -3.371
95 HD2 LYS 12 2HD LYS 12 1.324 -4.461 -4.392
96 HD3 LYS 12 1HD LYS 12 0.703 -5.280 -2.967
97 HE2 LYS 12 1HE LYS 12 -1.007 -5.456 -4.651
98 HE3 LYS 12 2HE LYS 12 -1.622 -4.365 -3.414
99 HZ1 LYS 12 2HZ LYS 12 -1.041 -2.499 -4.842
100 HZ3 LYS 12 1HZ LYS 12 -2.066 -3.524 -5.598
101 H ASP 13 H ASP 13 2.492 0.500 -0.258
102 HA ASP 13 HA ASP 13 3.851 1.743 -2.636
103 HB2 ASP 13 1HB ASP 13 1.261 2.290 -2.249
104 HB3 ASP 13 2HB ASP 13 1.837 3.173 -0.894
105 HD2 ASP 13 HD2 ASP 13 1.860 2.907 -4.241
106 H VAL 14 H VAL 14 3.109 2.180 0.805
107 HA VAL 14 HA VAL 14 6.005 3.000 1.016
108 HB VAL 14 HB VAL 14 5.728 4.400 2.868
109 HG11 VAL 14 1HG1 VAL 14 3.902 5.262 0.553
110 HG12 VAL 14 2HG1 VAL 14 4.755 6.358 1.689
111 HG13 VAL 14 3HG1 VAL 14 5.678 5.312 0.562
112 HG21 VAL 14 3HG2 VAL 14 3.451 5.211 3.674
113 HG22 VAL 14 1HG2 VAL 14 3.634 3.456 3.925
114 HG23 VAL 14 2HG2 VAL 14 2.658 4.049 2.564
115 H TYR 15 H TYR 15 5.135 0.900 0.772
116 HA TYR 15 HA TYR 15 6.598 -0.680 2.871
117 HB2 TYR 15 1HB TYR 15 4.208 -1.360 3.149
118 HB3 TYR 15 2HB TYR 15 4.118 -1.703 1.438
119 HD1 TYR 15 HD2 TYR 15 5.866 -2.747 4.607
120 HD2 TYR 15 HD1 TYR 15 4.970 -3.860 0.550
121 HE1 TYR 15 HE2 TYR 15 6.842 -4.962 4.997
122 HE2 TYR 15 HE1 TYR 15 5.953 -6.069 0.944
123 HH TYR 15 HH TYR 15 6.967 -7.413 2.398
124 H ASP 16 H ASP 16 5.625 -0.262 -0.533
125 HA ASP 16 HA ASP 16 7.892 -2.014 -1.390
126 HB2 ASP 16 1HB ASP 16 5.650 -2.091 -2.682
127 HB3 ASP 16 2HB ASP 16 6.039 -0.466 -3.204
128 HD2 ASP 16 HD2 ASP 16 7.526 -0.159 -4.643
129 H LYS 17 H LYS 17 7.146 1.471 -1.133
130 HA LYS 17 HA LYS 17 9.690 2.217 -2.422
131 HB2 LYS 17 1HB LYS 17 7.757 3.822 -0.639
132 HB3 LYS 17 2HB LYS 17 9.249 4.505 -1.256
133 HG2 LYS 17 1HG LYS 17 8.572 4.231 -3.596
134 HG3 LYS 17 2HG LYS 17 7.116 3.349 -3.144
135 HD2 LYS 17 2HD LYS 17 6.195 5.375 -1.969
136 HD3 LYS 17 1HD LYS 17 7.679 6.257 -2.301
137 HE2 LYS 17 2HE LYS 17 6.046 7.014 -3.902
138 HE3 LYS 17 1HE LYS 17 7.252 6.093 -4.795
139 HZ1 LYS 17 2HZ LYS 17 5.713 4.192 -4.749
140 HZ3 LYS 17 1HZ LYS 17 4.604 5.062 -3.921
141 H VAL 18 H VAL 18 8.912 0.914 0.761
142 HA VAL 18 HA VAL 18 11.345 2.033 1.996
143 HB VAL 18 HB VAL 18 10.727 1.354 4.022
144 HG11 VAL 18 1HG1 VAL 18 8.021 2.176 2.854
145 HG12 VAL 18 2HG1 VAL 18 9.304 3.294 3.358
146 HG13 VAL 18 3HG1 VAL 18 8.456 2.301 4.571
147 HG21 VAL 18 3HG2 VAL 18 10.109 -0.899 4.028
148 HG22 VAL 18 1HG2 VAL 18 8.659 -0.593 3.069
149 HG23 VAL 18 2HG2 VAL 18 8.740 -0.052 4.766
150 H LYS 19 H LYS 19 9.928 -1.083 1.397
151 HA LYS 19 HA LYS 19 12.269 -2.691 1.864
152 HB2 LYS 19 1HB LYS 19 9.851 -3.455 1.633
153 HB3 LYS 19 2HB LYS 19 9.989 -3.314 -0.116
154 HG2 LYS 19 2HG LYS 19 11.744 -5.127 -0.112
155 HG3 LYS 19 1HG LYS 19 11.716 -5.170 1.654
156 HD2 LYS 19 2HD LYS 19 9.269 -5.840 1.595
157 HD3 LYS 19 1HD LYS 19 9.303 -5.806 -0.171
158 HE2 LYS 19 2HE LYS 19 11.062 -7.642 -0.174
159 HE3 LYS 19 1HE LYS 19 11.041 -7.667 1.597
160 HZ1 LYS 19 2HZ LYS 19 8.680 -8.246 1.493
161 HZ3 LYS 19 1HZ LYS 19 8.699 -8.224 -0.141
162 H GLU 20 H GLU 20 11.898 -0.461 -0.664
163 HA GLU 20 HA GLU 20 13.686 -1.814 -2.613
164 HB2 GLU 20 1HB GLU 20 11.551 -0.974 -3.477
165 HB3 GLU 20 2HB GLU 20 11.987 0.635 -2.944
166 HG2 GLU 20 2HG GLU 20 13.911 0.687 -4.570
167 HG3 GLU 20 1HG GLU 20 13.550 -0.967 -5.070
168 HE2 GLU 20 HE2 GLU 20 10.849 -0.144 -7.072
169 HN1 NH2 21 2HN NH2 21 13.513 1.587 -1.684
170 HN2 NH2 21 1HN NH2 21 14.372 0.942 -0.277
Start of MODEL 25
1 H1 ACE 1 3HA ACE 1 -12.052 -4.450 -1.522
2 H2 ACE 1 1HA ACE 1 -13.713 -4.650 -2.152
3 H3 ACE 1 2HA ACE 1 -12.344 -4.490 -3.277
4 H GLU 1 H GLU 1 -14.203 -2.791 -0.828
5 HA GLU 1 HA GLU 1 -14.460 -0.386 -2.218
6 HB2 GLU 1 2HB GLU 1 -14.913 -0.886 0.778
7 HB3 GLU 1 1HB GLU 1 -15.519 0.463 -0.132
8 HG2 GLU 1 1HG GLU 1 -17.373 -0.812 -0.025
9 HG3 GLU 1 2HG GLU 1 -16.810 -1.028 -1.672
10 HE2 GLU 1 HE2 GLU 1 -16.584 -4.455 -1.407
11 H SER 2 H SER 2 -14.215 1.664 -0.371
12 HA SER 2 HA SER 2 -11.712 2.871 -0.943
13 HB2 SER 2 2HB SER 2 -13.853 4.006 -0.163
14 HB3 SER 2 1HB SER 2 -13.345 3.623 1.459
15 HG SER 2 HG SER 2 -11.392 4.745 1.049
16 H ALA 3 H ALA 3 -12.632 1.438 2.082
17 HA ALA 3 HA ALA 3 -9.858 1.601 3.147
18 HB1 ALA 3 3HB ALA 3 -11.883 1.861 4.686
19 HB2 ALA 3 1HB ALA 3 -12.295 0.142 4.388
20 HB3 ALA 3 2HB ALA 3 -10.795 0.568 5.262
21 H LYS 4 H LYS 4 -10.662 -0.150 1.056
22 HA LYS 4 HA LYS 4 -8.562 -2.177 1.453
23 HB2 LYS 4 2HB LYS 4 -11.386 -2.868 0.346
24 HB3 LYS 4 1HB LYS 4 -10.042 -3.992 0.219
25 HG2 LYS 4 1HG LYS 4 -9.895 -4.190 2.706
26 HG3 LYS 4 2HG LYS 4 -11.231 -3.071 2.911
27 HD2 LYS 4 1HD LYS 4 -11.406 -5.788 1.470
28 HD3 LYS 4 2HD LYS 4 -11.860 -5.511 3.136
29 HE2 LYS 4 2HE LYS 4 -13.265 -4.235 0.691
30 HE3 LYS 4 1HE LYS 4 -13.831 -5.633 1.589
31 HZ1 LYS 4 2HZ LYS 4 -14.953 -3.670 2.305
32 HZ3 LYS 4 1HZ LYS 4 -14.073 -4.265 3.548
33 H HIS 5 H HIS 5 -9.305 0.186 -0.173
34 HA HIS 5 HA HIS 5 -7.658 -0.547 -2.587
35 HB2 HIS 5 1HB HIS 5 -10.049 0.160 -3.193
36 HB3 HIS 5 2HB HIS 5 -9.745 1.735 -2.461
37 HD2 HIS 5 HD2 HIS 5 -7.173 -0.266 -4.669
38 HE1 HIS 5 HE1 HIS 5 -8.130 3.176 -6.799
39 HE2 HIS 5 HE2 HIS 5 -6.584 1.122 -6.853
40 H MET 6 H MET 6 -8.180 1.907 -0.013
41 HA MET 6 HA MET 6 -5.688 3.340 -0.744
42 HB2 MET 6 1HB MET 6 -7.255 3.790 1.881
43 HB3 MET 6 2HB MET 6 -6.098 4.854 1.106
44 HG2 MET 6 2HG MET 6 -8.083 4.684 -0.868
45 HG3 MET 6 1HG MET 6 -9.043 4.509 0.593
46 HE1 MET 6 3HE MET 6 -9.150 7.013 -1.547
47 HE2 MET 6 1HE MET 6 -9.363 8.387 -0.423
48 HE3 MET 6 2HE MET 6 -10.272 6.871 -0.158
49 H PHE 7 H PHE 7 -6.940 1.050 1.709
50 HA PHE 7 HA PHE 7 -4.374 0.753 3.105
51 HB2 PHE 7 1HB PHE 7 -7.071 -0.603 3.066
52 HB3 PHE 7 2HB PHE 7 -5.817 -1.586 3.704
53 HD1 PHE 7 HD1 PHE 7 -7.926 1.392 4.264
54 HD2 PHE 7 HD2 PHE 7 -4.603 -0.846 5.834
55 HE1 PHE 7 HE1 PHE 7 -8.154 2.555 6.390
56 HE2 PHE 7 HE2 PHE 7 -4.827 0.323 7.964
57 HZ PHE 7 HZ PHE 7 -6.609 2.036 8.279
58 H ASP 8 H ASP 8 -6.005 -0.970 0.503
59 HA ASP 8 HA ASP 8 -4.104 -3.093 0.035
60 HB2 ASP 8 1HB ASP 8 -6.335 -2.774 -1.079
61 HB3 ASP 8 2HB ASP 8 -5.638 -1.642 -2.202
62 HD2 ASP 8 HD2 ASP 8 -4.102 -4.041 -4.163
63 H ARG 9 H ARG 9 -4.252 0.150 -1.463
64 HA ARG 9 HA ARG 9 -1.684 0.044 -2.859
65 HB2 ARG 9 2HB ARG 9 -3.343 2.501 -2.021
66 HB3 ARG 9 1HB ARG 9 -1.849 2.633 -2.937
67 HG2 ARG 9 2HG ARG 9 -2.772 1.312 -4.818
68 HG3 ARG 9 1HG ARG 9 -4.270 1.011 -3.966
69 HD2 ARG 9 1HD ARG 9 -3.259 3.798 -4.848
70 HD3 ARG 9 2HD ARG 9 -4.425 2.805 -5.727
71 HH11 ARG 9 1HH1 ARG 9 -4.930 5.066 -6.002
72 HH12 ARG 9 2HH1 ARG 9 -6.291 6.208 -5.544
73 HH21 ARG 9 1HH2 ARG 9 -6.980 4.560 -2.599
74 HH22 ARG 9 2HH2 ARG 9 -7.373 5.937 -3.745
75 H ILE 10 H ILE 10 -2.523 1.794 0.199
76 HA ILE 10 HA ILE 10 0.066 2.609 0.975
77 HB ILE 10 HB ILE 10 -2.442 1.765 2.397
78 HG12 ILE 10 1HG1 ILE 10 -1.148 4.539 2.148
79 HG13 ILE 10 2HG1 ILE 10 -2.261 3.896 0.966
80 HG21 ILE 10 1HG2 ILE 10 -0.119 2.889 3.986
81 HG22 ILE 10 2HG2 ILE 10 -0.863 1.261 4.123
82 HG23 ILE 10 3HG2 ILE 10 -1.813 2.680 4.554
83 HD11 ILE 10 3HD1 ILE 10 -3.004 4.551 3.841
84 HD12 ILE 10 1HD1 ILE 10 -3.610 5.274 2.312
85 HD13 ILE 10 2HD1 ILE 10 -4.043 3.603 2.747
86 H GLY 11 H GLY 11 -1.413 -0.493 1.570
87 HA2 GLY 11 1HA GLY 11 0.623 -1.830 3.064
88 HA3 GLY 11 2HA GLY 11 -0.526 -2.672 1.976
89 H LYS 12 H LYS 12 0.570 -1.272 -0.351
90 HA LYS 12 HA LYS 12 3.418 -2.146 -0.584
91 HB2 LYS 12 1HB LYS 12 1.818 -4.109 -1.309
92 HB3 LYS 12 2HB LYS 12 1.358 -3.120 -2.689
93 HG2 LYS 12 2HG LYS 12 3.771 -3.131 -3.472
94 HG3 LYS 12 1HG LYS 12 4.241 -4.040 -2.033
95 HD2 LYS 12 2HD LYS 12 2.752 -5.952 -2.765
96 HD3 LYS 12 1HD LYS 12 2.270 -5.031 -4.195
97 HE2 LYS 12 1HE LYS 12 4.692 -4.983 -4.982
98 HE3 LYS 12 2HE LYS 12 5.175 -5.905 -3.551
99 HZ1 LYS 12 2HZ LYS 12 4.865 -7.341 -5.424
100 HZ3 LYS 12 1HZ LYS 12 3.759 -7.711 -4.278
101 H ASP 13 H ASP 13 2.528 0.364 -0.308
102 HA ASP 13 HA ASP 13 3.870 1.631 -2.670
103 HB2 ASP 13 1HB ASP 13 1.265 2.101 -2.340
104 HB3 ASP 13 2HB ASP 13 1.784 3.015 -0.980
105 HD2 ASP 13 HD2 ASP 13 2.323 4.384 -4.745
106 H VAL 14 H VAL 14 3.046 2.041 0.755
107 HA VAL 14 HA VAL 14 5.909 2.951 1.035
108 HB VAL 14 HB VAL 14 5.542 4.331 2.890
109 HG11 VAL 14 1HG1 VAL 14 3.734 5.146 0.544
110 HG12 VAL 14 2HG1 VAL 14 5.506 5.258 0.588
111 HG13 VAL 14 3HG1 VAL 14 4.526 6.262 1.704
112 HG21 VAL 14 3HG2 VAL 14 2.492 3.875 2.517
113 HG22 VAL 14 1HG2 VAL 14 3.458 3.306 3.895
114 HG23 VAL 14 2HG2 VAL 14 3.220 5.055 3.651
115 H TYR 15 H TYR 15 5.104 0.826 0.766
116 HA TYR 15 HA TYR 15 6.584 -0.742 2.872
117 HB2 TYR 15 1HB TYR 15 4.203 -1.465 3.122
118 HB3 TYR 15 2HB TYR 15 4.126 -1.774 1.403
119 HD1 TYR 15 HD1 TYR 15 5.897 -2.853 4.553
120 HD2 TYR 15 HD2 TYR 15 4.971 -3.911 0.488
121 HE1 TYR 15 HE1 TYR 15 6.905 -5.060 4.896
122 HE2 TYR 15 HE2 TYR 15 5.984 -6.112 0.834
123 HH TYR 15 HH TYR 15 7.033 -7.467 2.255
124 H ASP 16 H ASP 16 5.618 -0.312 -0.531
125 HA ASP 16 HA ASP 16 7.933 -2.001 -1.395
126 HB2 ASP 16 2HB ASP 16 5.689 -2.088 -2.699
127 HB3 ASP 16 1HB ASP 16 6.087 -0.469 -3.231
128 HD2 ASP 16 HD2 ASP 16 7.673 -0.188 -4.606
129 H LYS 17 H LYS 17 7.126 1.461 -1.093
130 HA LYS 17 HA LYS 17 9.640 2.268 -2.378
131 HB2 LYS 17 1HB LYS 17 7.603 3.768 -2.222
132 HB3 LYS 17 2HB LYS 17 7.799 3.849 -0.482
133 HG2 LYS 17 2HG LYS 17 8.609 5.893 -1.443
134 HG3 LYS 17 1HG LYS 17 9.993 5.051 -0.768
135 HD2 LYS 17 1HD LYS 17 10.641 4.258 -3.092
136 HD3 LYS 17 2HD LYS 17 9.219 5.066 -3.764
137 HE2 LYS 17 2HE LYS 17 10.117 7.308 -2.953
138 HE3 LYS 17 1HE LYS 17 11.537 6.494 -2.280
139 HZ1 LYS 17 2HZ LYS 17 10.752 6.532 -5.142
140 HZ3 LYS 17 1HZ LYS 17 11.953 7.411 -4.464
141 H VAL 18 H VAL 18 8.873 0.934 0.801
142 HA VAL 18 HA VAL 18 11.282 2.066 2.067
143 HB VAL 18 HB VAL 18 10.668 1.347 4.078
144 HG11 VAL 18 1HG1 VAL 18 7.945 2.125 2.918
145 HG12 VAL 18 2HG1 VAL 18 9.206 3.266 3.427
146 HG13 VAL 18 3HG1 VAL 18 8.384 2.246 4.635
147 HG21 VAL 18 3HG2 VAL 18 10.097 -0.919 4.046
148 HG22 VAL 18 1HG2 VAL 18 8.711 -0.111 4.796
149 HG23 VAL 18 2HG2 VAL 18 8.642 -0.628 3.090
150 H LYS 19 H LYS 19 9.931 -1.067 1.412
151 HA LYS 19 HA LYS 19 12.299 -2.636 1.866
152 HB2 LYS 19 2HB LYS 19 9.904 -3.455 1.592
153 HB3 LYS 19 1HB LYS 19 10.057 -3.275 -0.152
154 HG2 LYS 19 2HG LYS 19 11.870 -5.033 -0.158
155 HG3 LYS 19 1HG LYS 19 11.807 -5.124 1.604
156 HD2 LYS 19 1HD LYS 19 9.389 -5.859 1.479
157 HD3 LYS 19 2HD LYS 19 9.434 -5.792 -0.274
158 HE2 LYS 19 2HE LYS 19 11.216 -7.643 1.464
159 HE3 LYS 19 1HE LYS 19 9.680 -8.118 0.743
160 HZ1 LYS 19 2HZ LYS 19 12.085 -7.270 -0.767
161 HZ3 LYS 19 1HZ LYS 19 11.550 -8.805 -0.592
162 H GLU 20 H GLU 20 11.904 -0.371 -0.627
163 HA GLU 20 HA GLU 20 13.734 -1.650 -2.587
164 HB2 GLU 20 2HB GLU 20 11.598 -0.820 -3.454
165 HB3 GLU 20 1HB GLU 20 12.002 0.782 -2.875
166 HG2 GLU 20 1HG GLU 20 13.945 0.903 -4.477
167 HG3 GLU 20 2HG GLU 20 13.609 -0.740 -5.025
168 HE2 GLU 20 HE2 GLU 20 10.919 0.106 -7.033
169 HN1 NH2 21 2HN NH2 21 13.505 1.724 -1.576
170 HN2 NH2 21 1HN NH2 21 14.356 1.054 -0.177
Start of MODEL 26
1 H1 ACE 1 3HA ACE 1 -12.353 -4.612 -2.837
2 H2 ACE 1 1HA ACE 1 -14.034 -4.614 -2.251
3 H3 ACE 1 2HA ACE 1 -12.679 -4.500 -1.091
4 H GLU 1 H GLU 1 -14.471 -2.630 -0.796
5 HA GLU 1 HA GLU 1 -14.437 -0.299 -2.341
6 HB2 GLU 1 1HB GLU 1 -15.115 -0.703 0.633
7 HB3 GLU 1 2HB GLU 1 -15.515 0.738 -0.234
8 HG2 GLU 1 1HG GLU 1 -16.925 -0.274 -1.830
9 HG3 GLU 1 2HG GLU 1 -16.557 -1.908 -1.261
10 HE2 GLU 1 HE2 GLU 1 -18.614 -1.789 1.532
11 H SER 2 H SER 2 -14.173 1.752 -0.539
12 HA SER 2 HA SER 2 -11.619 2.888 -1.052
13 HB2 SER 2 2HB SER 2 -13.744 4.084 -0.317
14 HB3 SER 2 1HB SER 2 -13.281 3.691 1.313
15 HG SER 2 HG SER 2 -11.288 4.762 0.944
16 H ALA 3 H ALA 3 -12.648 1.459 1.944
17 HA ALA 3 HA ALA 3 -9.905 1.587 3.090
18 HB1 ALA 3 3HB ALA 3 -11.970 1.856 4.574
19 HB2 ALA 3 1HB ALA 3 -10.908 0.553 5.175
20 HB3 ALA 3 2HB ALA 3 -12.386 0.142 4.257
21 H LYS 4 H LYS 4 -10.673 -0.160 0.977
22 HA LYS 4 HA LYS 4 -8.579 -2.184 1.411
23 HB2 LYS 4 2HB LYS 4 -11.401 -2.907 0.318
24 HB3 LYS 4 1HB LYS 4 -10.036 -4.004 0.157
25 HG2 LYS 4 1HG LYS 4 -9.840 -4.179 2.669
26 HG3 LYS 4 2HG LYS 4 -11.254 -3.136 2.846
27 HD2 LYS 4 2HD LYS 4 -12.657 -4.792 1.553
28 HD3 LYS 4 1HD LYS 4 -11.250 -5.847 1.372
29 HE2 LYS 4 2HE LYS 4 -11.097 -6.077 3.903
30 HE3 LYS 4 1HE LYS 4 -12.506 -5.022 4.084
31 HZ1 LYS 4 2HZ LYS 4 -13.088 -7.354 4.164
32 HZ3 LYS 4 1HZ LYS 4 -12.464 -7.637 2.680
33 H HIS 5 H HIS 5 -9.305 0.165 -0.221
34 HA HIS 5 HA HIS 5 -7.642 -0.562 -2.625
35 HB2 HIS 5 1HB HIS 5 -10.032 0.134 -3.243
36 HB3 HIS 5 2HB HIS 5 -9.760 1.696 -2.479
37 HD2 HIS 5 HD2 HIS 5 -7.603 -0.457 -5.019
38 HE1 HIS 5 HE1 HIS 5 -7.826 3.396 -6.573
39 HE2 HIS 5 HE2 HIS 5 -6.812 1.078 -7.036
40 H MET 6 H MET 6 -8.188 1.897 -0.063
41 HA MET 6 HA MET 6 -5.691 3.331 -0.770
42 HB2 MET 6 1HB MET 6 -7.317 3.789 1.817
43 HB3 MET 6 2HB MET 6 -6.132 4.849 1.076
44 HG2 MET 6 2HG MET 6 -8.045 4.672 -0.962
45 HG3 MET 6 1HG MET 6 -9.065 4.506 0.452
46 HE1 MET 6 3HE MET 6 -8.159 6.240 2.798
47 HE2 MET 6 1HE MET 6 -9.770 6.438 2.040
48 HE3 MET 6 2HE MET 6 -8.753 7.872 2.373
49 H PHE 7 H PHE 7 -6.973 1.046 1.674
50 HA PHE 7 HA PHE 7 -4.426 0.751 3.107
51 HB2 PHE 7 1HB PHE 7 -7.117 -0.613 3.035
52 HB3 PHE 7 2HB PHE 7 -5.866 -1.588 3.693
53 HD1 PHE 7 HD1 PHE 7 -4.694 -0.846 5.840
54 HD2 PHE 7 HD2 PHE 7 -7.988 1.392 4.210
55 HE1 PHE 7 HE1 PHE 7 -4.953 0.329 7.964
56 HE2 PHE 7 HE2 PHE 7 -8.250 2.559 6.330
57 HZ PHE 7 HZ PHE 7 -6.737 2.044 8.245
58 H ASP 8 H ASP 8 -6.022 -0.981 0.487
59 HA ASP 8 HA ASP 8 -4.112 -3.099 0.039
60 HB2 ASP 8 1HB ASP 8 -6.329 -2.779 -1.111
61 HB3 ASP 8 2HB ASP 8 -5.611 -1.643 -2.214
62 HD2 ASP 8 HD2 ASP 8 -5.007 -5.632 -2.525
63 H ARG 9 H ARG 9 -4.247 0.147 -1.448
64 HA ARG 9 HA ARG 9 -1.673 0.092 -2.827
65 HB2 ARG 9 2HB ARG 9 -3.408 2.471 -1.906
66 HB3 ARG 9 1HB ARG 9 -1.895 2.715 -2.757
67 HG2 ARG 9 2HG ARG 9 -2.683 1.692 -4.805
68 HG3 ARG 9 1HG ARG 9 -4.067 0.960 -4.021
69 HD2 ARG 9 1HD ARG 9 -4.838 2.808 -5.372
70 HD3 ARG 9 2HD ARG 9 -5.186 3.149 -3.697
71 HH11 ARG 9 2HH1 ARG 9 -4.862 4.540 -2.369
72 HH12 ARG 9 1HH1 ARG 9 -4.265 6.241 -2.026
73 HH21 ARG 9 1HH2 ARG 9 -2.438 6.431 -4.937
74 HH22 ARG 9 2HH2 ARG 9 -2.986 7.236 -3.382
75 H ILE 10 H ILE 10 -2.538 1.805 0.237
76 HA ILE 10 HA ILE 10 0.038 2.624 1.055
77 HB ILE 10 HB ILE 10 -2.488 1.766 2.435
78 HG12 ILE 10 2HG1 ILE 10 -1.197 4.543 2.219
79 HG13 ILE 10 1HG1 ILE 10 -2.289 3.903 1.015
80 HG21 ILE 10 1HG2 ILE 10 -1.891 2.673 4.605
81 HG22 ILE 10 2HG2 ILE 10 -0.930 1.258 4.180
82 HG23 ILE 10 3HG2 ILE 10 -0.191 2.890 4.061
83 HD11 ILE 10 3HD1 ILE 10 -4.100 3.603 2.764
84 HD12 ILE 10 1HD1 ILE 10 -3.079 4.541 3.883
85 HD13 ILE 10 2HD1 ILE 10 -3.659 5.277 2.351
86 H GLY 11 H GLY 11 -1.433 -0.485 1.612
87 HA2 GLY 11 2HA GLY 11 0.595 -1.811 3.125
88 HA3 GLY 11 1HA GLY 11 -0.539 -2.661 2.026
89 H LYS 12 H LYS 12 0.553 -1.273 -0.308
90 HA LYS 12 HA LYS 12 3.410 -2.160 -0.534
91 HB2 LYS 12 2HB LYS 12 1.242 -3.128 -2.540
92 HB3 LYS 12 1HB LYS 12 2.972 -3.276 -2.809
93 HG2 LYS 12 2HG LYS 12 3.179 -4.731 -0.741
94 HG3 LYS 12 1HG LYS 12 1.424 -4.692 -0.565
95 HD2 LYS 12 2HD LYS 12 1.158 -5.718 -2.849
96 HD3 LYS 12 1HD LYS 12 2.901 -5.766 -3.063
97 HE2 LYS 12 1HE LYS 12 1.363 -7.269 -0.829
98 HE3 LYS 12 2HE LYS 12 1.837 -7.975 -2.372
99 HZ1 LYS 12 2HZ LYS 12 3.738 -6.888 -0.374
100 HZ3 LYS 12 1HZ LYS 12 4.158 -7.546 -1.810
101 H ASP 13 H ASP 13 2.512 0.371 -0.216
102 HA ASP 13 HA ASP 13 3.848 1.647 -2.585
103 HB2 ASP 13 1HB ASP 13 1.268 2.148 -2.233
104 HB3 ASP 13 2HB ASP 13 1.796 3.031 -0.853
105 HD2 ASP 13 HD2 ASP 13 2.388 4.459 -4.593
106 H VAL 14 H VAL 14 3.081 2.049 0.854
107 HA VAL 14 HA VAL 14 5.967 2.906 1.089
108 HB VAL 14 HB VAL 14 5.656 4.266 2.971
109 HG11 VAL 14 3HG2 VAL 14 4.660 6.228 1.815
110 HG12 VAL 14 1HG2 VAL 14 3.843 5.137 0.649
111 HG13 VAL 14 2HG2 VAL 14 5.617 5.219 0.684
112 HG21 VAL 14 1HG1 VAL 14 3.569 3.267 3.990
113 HG22 VAL 14 2HG1 VAL 14 2.595 3.873 2.634
114 HG23 VAL 14 3HG1 VAL 14 3.361 5.024 3.772
115 H TYR 15 H TYR 15 5.144 0.796 0.812
116 HA TYR 15 HA TYR 15 6.643 -0.811 2.877
117 HB2 TYR 15 1HB TYR 15 4.242 -1.484 3.128
118 HB3 TYR 15 2HB TYR 15 4.168 -1.789 1.409
119 HD1 TYR 15 HD2 TYR 15 5.870 -2.907 4.573
120 HD2 TYR 15 HD1 TYR 15 5.022 -3.926 0.485
121 HE1 TYR 15 HE2 TYR 15 6.777 -5.151 4.946
122 HE2 TYR 15 HE1 TYR 15 5.921 -6.170 0.859
123 HH TYR 15 HH TYR 15 6.862 -7.574 2.315
124 H ASP 16 H ASP 16 5.634 -0.349 -0.509
125 HA ASP 16 HA ASP 16 7.935 -2.032 -1.411
126 HB2 ASP 16 2HB ASP 16 5.685 -2.124 -2.697
127 HB3 ASP 16 1HB ASP 16 6.046 -0.481 -3.185
128 HD2 ASP 16 HD2 ASP 16 7.068 -3.704 -3.276
129 H LYS 17 H LYS 17 7.129 1.422 -1.069
130 HA LYS 17 HA LYS 17 9.611 2.289 -2.369
131 HB2 LYS 17 2HB LYS 17 7.522 3.702 -2.107
132 HB3 LYS 17 1HB LYS 17 7.810 3.801 -0.372
133 HG2 LYS 17 2HG LYS 17 10.038 4.965 -0.900
134 HG3 LYS 17 1HG LYS 17 9.635 4.917 -2.608
135 HD2 LYS 17 2HD LYS 17 8.003 6.380 -0.411
136 HD3 LYS 17 1HD LYS 17 9.215 7.105 -1.436
137 HE2 LYS 17 2HE LYS 17 7.235 7.783 -2.474
138 HE3 LYS 17 1HE LYS 17 7.780 6.469 -3.511
139 HZ1 LYS 17 2HZ LYS 17 5.715 6.253 -1.378
140 HZ3 LYS 17 1HZ LYS 17 6.199 5.014 -2.328
141 H VAL 18 H VAL 18 8.910 0.879 0.798
142 HA VAL 18 HA VAL 18 11.316 2.024 2.059
143 HB VAL 18 HB VAL 18 10.749 1.244 4.061
144 HG11 VAL 18 3HG2 VAL 18 9.282 3.179 3.480
145 HG12 VAL 18 1HG2 VAL 18 8.473 2.132 4.674
146 HG13 VAL 18 2HG2 VAL 18 8.011 2.053 2.962
147 HG21 VAL 18 1HG1 VAL 18 10.180 -1.020 3.988
148 HG22 VAL 18 2HG1 VAL 18 8.813 -0.227 4.789
149 HG23 VAL 18 3HG1 VAL 18 8.702 -0.707 3.075
150 H LYS 19 H LYS 19 9.987 -1.115 1.358
151 HA LYS 19 HA LYS 19 12.377 -2.662 1.747
152 HB2 LYS 19 1HB LYS 19 10.017 -3.561 1.455
153 HB3 LYS 19 2HB LYS 19 10.118 -3.243 -0.265
154 HG2 LYS 19 2HG LYS 19 10.424 -5.588 0.114
155 HG3 LYS 19 1HG LYS 19 11.949 -4.963 -0.484
156 HD2 LYS 19 1HD LYS 19 12.875 -4.943 1.864
157 HD3 LYS 19 2HD LYS 19 11.342 -5.505 2.511
158 HE2 LYS 19 1HE LYS 19 13.088 -7.096 0.499
159 HE3 LYS 19 2HE LYS 19 13.155 -7.288 2.249
160 HZ1 LYS 19 2HZ LYS 19 10.772 -7.807 0.565
161 HZ3 LYS 19 1HZ LYS 19 11.755 -8.938 1.218
162 H GLU 20 H GLU 20 11.924 -0.346 -0.696
163 HA GLU 20 HA GLU 20 13.769 -1.544 -2.691
164 HB2 GLU 20 2HB GLU 20 11.611 -0.731 -3.529
165 HB3 GLU 20 1HB GLU 20 11.994 0.864 -2.917
166 HG2 GLU 20 2HG GLU 20 13.930 1.048 -4.530
167 HG3 GLU 20 1HG GLU 20 13.608 -0.588 -5.107
168 HE2 GLU 20 HE2 GLU 20 12.494 2.589 -4.890
169 HN1 NH2 21 2HN NH2 21 14.351 1.113 -0.221
170 HN2 NH2 21 1HN NH2 21 13.481 1.801 -1.599
Start of MODEL 27
1 H1 ACE 1 3HA ACE 1 -13.899 -4.229 1.030
2 H2 ACE 1 1HA ACE 1 -13.533 -4.407 -0.704
3 H3 ACE 1 2HA ACE 1 -15.202 -4.045 -0.168
4 H GLU 1 H GLU 1 -15.012 -2.211 -1.611
5 HA GLU 1 HA GLU 1 -14.345 -0.115 -2.527
6 HB2 GLU 1 2HB GLU 1 -15.561 -0.064 0.282
7 HB3 GLU 1 1HB GLU 1 -15.576 1.300 -0.814
8 HG2 GLU 1 2HG GLU 1 -17.689 0.525 -1.110
9 HG3 GLU 1 1HG GLU 1 -16.840 -0.012 -2.547
10 HE2 GLU 1 HE2 GLU 1 -18.204 -2.645 0.262
11 H SER 2 H SER 2 -14.051 2.075 -0.717
12 HA SER 2 HA SER 2 -11.415 2.961 -1.130
13 HB2 SER 2 1HB SER 2 -13.498 4.242 -0.306
14 HB3 SER 2 2HB SER 2 -13.003 3.767 1.289
15 HG SER 2 HG SER 2 -12.162 5.782 0.680
16 H ALA 3 H ALA 3 -12.576 1.332 1.699
17 HA ALA 3 HA ALA 3 -9.874 1.332 2.954
18 HB1 ALA 3 3HB ALA 3 -12.401 -0.186 3.922
19 HB2 ALA 3 1HB ALA 3 -11.991 1.495 4.389
20 HB3 ALA 3 2HB ALA 3 -10.954 0.144 4.920
21 H LYS 4 H LYS 4 -10.589 -0.265 0.706
22 HA LYS 4 HA LYS 4 -8.466 -2.266 1.037
23 HB2 LYS 4 1HB LYS 4 -11.184 -3.103 -0.176
24 HB3 LYS 4 2HB LYS 4 -9.763 -4.116 -0.241
25 HG2 LYS 4 2HG LYS 4 -11.225 -3.359 2.361
26 HG3 LYS 4 1HG LYS 4 -11.428 -4.855 1.468
27 HD2 LYS 4 2HD LYS 4 -9.009 -5.454 1.825
28 HD3 LYS 4 1HD LYS 4 -8.756 -3.951 2.718
29 HE2 LYS 4 1HE LYS 4 -10.469 -4.679 4.448
30 HE3 LYS 4 2HE LYS 4 -10.726 -6.188 3.559
31 HZ1 LYS 4 2HZ LYS 4 -8.134 -5.311 4.710
32 HZ3 LYS 4 1HZ LYS 4 -8.371 -6.704 3.888
33 H HIS 5 H HIS 5 -9.282 0.124 -0.457
34 HA HIS 5 HA HIS 5 -7.604 -0.405 -2.906
35 HB2 HIS 5 2HB HIS 5 -9.705 1.848 -2.547
36 HB3 HIS 5 1HB HIS 5 -8.652 1.701 -3.940
37 HD2 HIS 5 HD2 HIS 5 -9.208 -1.692 -4.205
38 HE1 HIS 5 HE1 HIS 5 -12.992 -0.352 -5.296
39 HE2 HIS 5 HE2 HIS 5 -11.465 -2.420 -5.390
40 H MET 6 H MET 6 -8.123 1.881 -0.172
41 HA MET 6 HA MET 6 -5.613 3.325 -0.808
42 HB2 MET 6 2HB MET 6 -7.281 3.602 1.788
43 HB3 MET 6 1HB MET 6 -6.044 4.691 1.186
44 HG2 MET 6 2HG MET 6 -7.909 4.698 -0.929
45 HG3 MET 6 1HG MET 6 -8.950 4.503 0.471
46 HE1 MET 6 3HE MET 6 -8.956 8.459 -0.435
47 HE2 MET 6 1HE MET 6 -9.987 7.005 -0.315
48 HE3 MET 6 2HE MET 6 -8.734 7.113 -1.591
49 H PHE 7 H PHE 7 -6.903 0.939 1.534
50 HA PHE 7 HA PHE 7 -4.348 0.518 2.903
51 HB2 PHE 7 1HB PHE 7 -7.048 -0.829 2.760
52 HB3 PHE 7 2HB PHE 7 -5.796 -1.830 3.385
53 HD1 PHE 7 HD1 PHE 7 -4.629 -1.166 5.563
54 HD2 PHE 7 HD2 PHE 7 -7.937 1.112 4.018
55 HE1 PHE 7 HE1 PHE 7 -4.898 -0.077 7.730
56 HE2 PHE 7 HE2 PHE 7 -8.210 2.193 6.182
57 HZ PHE 7 HZ PHE 7 -6.695 1.612 8.077
58 H ASP 8 H ASP 8 -5.967 -1.032 0.182
59 HA ASP 8 HA ASP 8 -4.077 -3.144 -0.385
60 HB2 ASP 8 2HB ASP 8 -6.278 -2.757 -1.514
61 HB3 ASP 8 1HB ASP 8 -5.571 -1.551 -2.548
62 HD2 ASP 8 HD2 ASP 8 -4.959 -5.513 -3.106
63 H ARG 9 H ARG 9 -4.186 0.181 -1.701
64 HA ARG 9 HA ARG 9 -1.596 0.147 -3.057
65 HB2 ARG 9 2HB ARG 9 -3.268 2.548 -2.082
66 HB3 ARG 9 1HB ARG 9 -1.736 2.748 -2.917
67 HG2 ARG 9 2HG ARG 9 -2.593 1.609 -4.961
68 HG3 ARG 9 1HG ARG 9 -4.098 1.217 -4.155
69 HD2 ARG 9 1HD ARG 9 -4.571 3.080 -5.568
70 HD3 ARG 9 2HD ARG 9 -4.664 3.682 -3.930
71 HH11 ARG 9 1HH2 ARG 9 -3.829 5.068 -2.804
72 HH12 ARG 9 2HH2 ARG 9 -2.784 6.574 -2.728
73 HH21 ARG 9 2HH1 ARG 9 -1.322 5.988 -5.789
74 HH22 ARG 9 1HH1 ARG 9 -1.462 7.057 -4.304
75 H ILE 10 H ILE 10 -2.463 1.717 0.083
76 HA ILE 10 HA ILE 10 0.117 2.475 0.946
77 HB ILE 10 HB ILE 10 -2.414 1.561 2.280
78 HG12 ILE 10 1HG1 ILE 10 -1.111 4.341 2.205
79 HG13 ILE 10 2HG1 ILE 10 -2.208 3.768 0.973
80 HG21 ILE 10 1HG2 ILE 10 -0.858 0.957 3.996
81 HG22 ILE 10 2HG2 ILE 10 -0.108 2.587 3.957
82 HG23 ILE 10 3HG2 ILE 10 -1.808 2.355 4.494
83 HD11 ILE 10 3HD1 ILE 10 -4.018 3.385 2.701
84 HD12 ILE 10 1HD1 ILE 10 -2.994 4.259 3.868
85 HD13 ILE 10 2HD1 ILE 10 -3.569 5.076 2.376
86 H GLY 11 H GLY 11 -1.374 -0.649 1.334
87 HA2 GLY 11 1HA GLY 11 0.629 -2.075 2.788
88 HA3 GLY 11 2HA GLY 11 -0.493 -2.853 1.628
89 H LYS 12 H LYS 12 0.616 -1.352 -0.615
90 HA LYS 12 HA LYS 12 3.480 -2.206 -0.864
91 HB2 LYS 12 1HB LYS 12 1.336 -3.082 -2.939
92 HB3 LYS 12 2HB LYS 12 3.069 -3.218 -3.193
93 HG2 LYS 12 2HG LYS 12 3.257 -4.799 -1.227
94 HG3 LYS 12 1HG LYS 12 1.504 -4.738 -1.031
95 HD2 LYS 12 2HD LYS 12 1.213 -5.638 -3.397
96 HD3 LYS 12 1HD LYS 12 2.959 -5.680 -3.578
97 HE2 LYS 12 1HE LYS 12 2.295 -7.930 -3.089
98 HE3 LYS 12 2HE LYS 12 3.122 -7.347 -1.647
99 HZ1 LYS 12 2HZ LYS 12 0.958 -6.954 -0.631
100 HZ3 LYS 12 1HZ LYS 12 1.122 -8.517 -1.082
101 H ASP 13 H ASP 13 2.587 0.288 -0.427
102 HA ASP 13 HA ASP 13 3.937 1.691 -2.710
103 HB2 ASP 13 1HB ASP 13 1.339 2.144 -2.375
104 HB3 ASP 13 2HB ASP 13 1.841 2.972 -0.953
105 HD2 ASP 13 HD2 ASP 13 2.407 4.581 -4.616
106 H VAL 14 H VAL 14 3.090 1.905 0.728
107 HA VAL 14 HA VAL 14 5.955 2.784 1.075
108 HB VAL 14 HB VAL 14 5.588 4.037 3.009
109 HG11 VAL 14 3HG2 VAL 14 5.582 5.109 0.773
110 HG12 VAL 14 1HG2 VAL 14 3.809 5.013 0.703
111 HG13 VAL 14 2HG2 VAL 14 4.596 6.049 1.938
112 HG21 VAL 14 1HG1 VAL 14 3.261 4.739 3.790
113 HG22 VAL 14 2HG1 VAL 14 3.486 2.978 3.938
114 HG23 VAL 14 3HG1 VAL 14 2.538 3.628 2.584
115 H TYR 15 H TYR 15 5.192 0.691 0.666
116 HA TYR 15 HA TYR 15 6.681 -1.013 2.669
117 HB2 TYR 15 1HB TYR 15 4.279 -1.719 2.842
118 HB3 TYR 15 2HB TYR 15 4.222 -1.917 1.107
119 HD1 TYR 15 HD2 TYR 15 5.890 -3.218 4.213
120 HD2 TYR 15 HD1 TYR 15 5.114 -3.984 0.056
121 HE1 TYR 15 HE2 TYR 15 6.796 -5.479 4.464
122 HE2 TYR 15 HE1 TYR 15 6.016 -6.244 0.306
123 HH TYR 15 HH TYR 15 7.260 -7.414 3.447
124 H ASP 16 H ASP 16 5.660 -0.357 -0.709
125 HA ASP 16 HA ASP 16 7.884 -2.001 -1.805
126 HB2 ASP 16 2HB ASP 16 5.692 -1.844 -3.086
127 HB3 ASP 16 1HB ASP 16 6.058 -0.147 -3.325
128 HD2 ASP 16 HD2 ASP 16 7.951 -3.056 -5.422
129 H LYS 17 H LYS 17 7.199 1.469 -1.178
130 HA LYS 17 HA LYS 17 9.845 2.297 -2.249
131 HB2 LYS 17 2HB LYS 17 7.772 3.881 -0.627
132 HB3 LYS 17 1HB LYS 17 9.288 4.555 -1.165
133 HG2 LYS 17 2HG LYS 17 7.068 3.521 -3.026
134 HG3 LYS 17 1HG LYS 17 7.340 5.194 -2.603
135 HD2 LYS 17 2HD LYS 17 9.306 3.429 -4.203
136 HD3 LYS 17 1HD LYS 17 8.157 4.571 -4.878
137 HE2 LYS 17 1HE LYS 17 9.332 6.482 -3.642
138 HE3 LYS 17 2HE LYS 17 10.538 5.328 -3.052
139 HZ1 LYS 17 2HZ LYS 17 9.967 5.940 -5.899
140 HZ3 LYS 17 1HZ LYS 17 11.255 6.469 -5.042
141 H VAL 18 H VAL 18 8.806 0.731 0.488
142 HA VAL 18 HA VAL 18 10.762 1.856 2.434
143 HB VAL 18 HB VAL 18 8.418 0.056 2.966
144 HG11 VAL 18 1HG1 VAL 18 10.541 0.534 5.038
145 HG12 VAL 18 2HG1 VAL 18 8.913 -0.191 5.290
146 HG13 VAL 18 3HG1 VAL 18 10.088 -1.018 4.260
147 HG21 VAL 18 3HG2 VAL 18 9.162 2.751 4.212
148 HG22 VAL 18 1HG2 VAL 18 7.697 1.790 4.555
149 HG23 VAL 18 2HG2 VAL 18 7.929 2.493 2.946
150 H LYS 19 H LYS 19 9.876 -1.277 1.029
151 HA LYS 19 HA LYS 19 12.295 -2.653 1.830
152 HB2 LYS 19 2HB LYS 19 10.099 -3.698 1.064
153 HB3 LYS 19 1HB LYS 19 10.457 -3.202 -0.579
154 HG2 LYS 19 1HG LYS 19 10.907 -5.553 -0.344
155 HG3 LYS 19 2HG LYS 19 12.440 -4.751 -0.630
156 HD2 LYS 19 2HD LYS 19 12.971 -4.888 1.849
157 HD3 LYS 19 1HD LYS 19 11.404 -5.651 2.143
158 HE2 LYS 19 1HE LYS 19 12.079 -7.600 0.648
159 HE3 LYS 19 2HE LYS 19 13.646 -6.831 0.356
160 HZ1 LYS 19 2HZ LYS 19 14.067 -6.936 2.750
161 HZ3 LYS 19 1HZ LYS 19 12.620 -7.646 3.020
162 H GLU 20 H GLU 20 12.053 -0.115 -0.395
163 HA GLU 20 HA GLU 20 14.148 -0.992 -2.296
164 HB2 GLU 20 2HB GLU 20 12.062 -0.027 -3.233
165 HB3 GLU 20 1HB GLU 20 12.395 1.438 -2.331
166 HG2 GLU 20 1HG GLU 20 14.519 1.790 -3.694
167 HG3 GLU 20 2HG GLU 20 14.151 0.322 -4.602
168 HE2 GLU 20 HE2 GLU 20 12.231 3.808 -5.283
169 HN1 NH2 21 2HN NH2 21 13.682 2.143 -0.733
170 HN2 NH2 21 1HN NH2 21 14.384 1.232 0.609
Start of MODEL 28
1 H1 ACE 1 3HA ACE 1 -12.263 -2.986 -3.949
2 H2 ACE 1 1HA ACE 1 -12.967 -1.394 -3.608
3 H3 ACE 1 2HA ACE 1 -11.376 -1.839 -2.923
4 H GLU 1 H GLU 1 -14.365 -2.685 -0.456
5 HA GLU 1 HA GLU 1 -14.436 -0.457 -2.155
6 HB2 GLU 1 1HB GLU 1 -15.090 -0.650 0.837
7 HB3 GLU 1 2HB GLU 1 -15.546 0.658 -0.202
8 HG2 GLU 1 1HG GLU 1 -17.487 -0.491 -0.127
9 HG3 GLU 1 2HG GLU 1 -16.842 -0.847 -1.717
10 HE2 GLU 1 HE2 GLU 1 -17.119 -1.974 1.495
11 H SER 2 H SER 2 -14.174 1.746 -0.411
12 HA SER 2 HA SER 2 -11.645 2.861 -1.008
13 HB2 SER 2 1HB SER 2 -13.771 4.057 -0.252
14 HB3 SER 2 2HB SER 2 -13.252 3.722 1.376
15 HG SER 2 HG SER 2 -12.542 5.744 0.630
16 H ALA 3 H ALA 3 -12.588 1.512 2.048
17 HA ALA 3 HA ALA 3 -9.819 1.682 3.123
18 HB1 ALA 3 3HB ALA 3 -12.266 0.258 4.380
19 HB2 ALA 3 1HB ALA 3 -11.847 1.981 4.641
20 HB3 ALA 3 2HB ALA 3 -10.768 0.697 5.252
21 H LYS 4 H LYS 4 -10.595 -0.100 1.061
22 HA LYS 4 HA LYS 4 -8.480 -2.090 1.487
23 HB2 LYS 4 2HB LYS 4 -10.907 -3.104 2.014
24 HB3 LYS 4 1HB LYS 4 -11.180 -3.013 0.278
25 HG2 LYS 4 1HG LYS 4 -9.212 -4.628 -0.060
26 HG3 LYS 4 2HG LYS 4 -8.969 -4.663 1.686
27 HD2 LYS 4 2HD LYS 4 -11.307 -5.605 1.983
28 HD3 LYS 4 1HD LYS 4 -11.546 -5.559 0.232
29 HE2 LYS 4 2HE LYS 4 -9.604 -7.177 -0.075
30 HE3 LYS 4 1HE LYS 4 -9.365 -7.222 1.678
31 HZ1 LYS 4 2HZ LYS 4 -10.681 -9.067 0.951
32 HZ3 LYS 4 1HZ LYS 4 -11.587 -8.115 1.924
33 H HIS 5 H HIS 5 -9.271 0.201 -0.161
34 HA HIS 5 HA HIS 5 -7.679 -0.529 -2.607
35 HB2 HIS 5 2HB HIS 5 -10.104 0.168 -3.119
36 HB3 HIS 5 1HB HIS 5 -9.789 1.736 -2.387
37 HD2 HIS 5 HD2 HIS 5 -7.959 -0.509 -5.101
38 HE1 HIS 5 HE1 HIS 5 -8.025 3.379 -6.579
39 HE2 HIS 5 HE2 HIS 5 -7.249 0.998 -7.168
40 H MET 6 H MET 6 -8.155 1.959 -0.057
41 HA MET 6 HA MET 6 -5.658 3.362 -0.827
42 HB2 MET 6 1HB MET 6 -7.241 3.856 1.785
43 HB3 MET 6 2HB MET 6 -6.060 4.902 1.017
44 HG2 MET 6 1HG MET 6 -8.013 4.719 -0.990
45 HG3 MET 6 2HG MET 6 -9.000 4.582 0.459
46 HE1 MET 6 3HE MET 6 -10.212 6.946 -0.271
47 HE2 MET 6 1HE MET 6 -9.288 8.445 -0.581
48 HE3 MET 6 2HE MET 6 -9.113 7.047 -1.682
49 H PHE 7 H PHE 7 -6.911 1.148 1.701
50 HA PHE 7 HA PHE 7 -4.331 0.836 3.059
51 HB2 PHE 7 1HB PHE 7 -7.033 -0.516 3.076
52 HB3 PHE 7 2HB PHE 7 -5.768 -1.465 3.748
53 HD1 PHE 7 HD1 PHE 7 -7.901 1.513 4.205
54 HD2 PHE 7 HD2 PHE 7 -4.553 -0.636 5.844
55 HE1 PHE 7 HE1 PHE 7 -8.133 2.751 6.288
56 HE2 PHE 7 HE2 PHE 7 -4.780 0.610 7.930
57 HZ PHE 7 HZ PHE 7 -6.576 2.317 8.188
58 H ASP 8 H ASP 8 -6.014 -0.919 0.503
59 HA ASP 8 HA ASP 8 -4.149 -3.075 0.059
60 HB2 ASP 8 1HB ASP 8 -6.384 -2.741 -1.046
61 HB3 ASP 8 2HB ASP 8 -5.677 -1.640 -2.192
62 HD2 ASP 8 HD2 ASP 8 -4.308 -2.388 -3.632
63 H ARG 9 H ARG 9 -4.263 0.146 -1.495
64 HA ARG 9 HA ARG 9 -1.705 -0.019 -2.903
65 HB2 ARG 9 1HB ARG 9 -3.390 2.440 -2.120
66 HB3 ARG 9 2HB ARG 9 -1.850 2.600 -2.949
67 HG2 ARG 9 1HG ARG 9 -2.633 1.284 -4.887
68 HG3 ARG 9 2HG ARG 9 -4.182 0.952 -4.112
69 HD2 ARG 9 1HD ARG 9 -4.804 3.365 -4.145
70 HD3 ARG 9 2HD ARG 9 -3.198 3.811 -4.751
71 HH11 ARG 9 2HH2 ARG 9 -4.759 5.282 -5.626
72 HH12 ARG 9 1HH2 ARG 9 -5.421 5.705 -7.283
73 HH21 ARG 9 2HH1 ARG 9 -5.150 2.480 -8.463
74 HH22 ARG 9 1HH1 ARG 9 -5.627 4.224 -8.780
75 H ILE 10 H ILE 10 -2.500 1.804 0.121
76 HA ILE 10 HA ILE 10 0.102 2.606 0.868
77 HB ILE 10 HB ILE 10 -2.404 1.816 2.322
78 HG12 ILE 10 1HG1 ILE 10 -1.087 4.572 2.006
79 HG13 ILE 10 2HG1 ILE 10 -2.213 3.915 0.845
80 HG21 ILE 10 1HG2 ILE 10 -0.057 2.950 3.868
81 HG22 ILE 10 2HG2 ILE 10 -0.816 1.334 4.047
82 HG23 ILE 10 3HG2 ILE 10 -1.748 2.773 4.455
83 HD11 ILE 10 3HD1 ILE 10 -2.933 4.634 3.710
84 HD12 ILE 10 1HD1 ILE 10 -3.987 3.678 2.638
85 HD13 ILE 10 2HD1 ILE 10 -3.538 5.336 2.171
86 H GLY 11 H GLY 11 -1.397 -0.467 1.529
87 HA2 GLY 11 2HA GLY 11 0.629 -1.790 3.048
88 HA3 GLY 11 1HA GLY 11 -0.524 -2.648 1.979
89 H LYS 12 H LYS 12 0.547 -1.335 -0.398
90 HA LYS 12 HA LYS 12 3.397 -2.235 -0.642
91 HB2 LYS 12 1HB LYS 12 1.199 -3.241 -2.598
92 HB3 LYS 12 2HB LYS 12 2.924 -3.416 -2.877
93 HG2 LYS 12 1HG LYS 12 3.140 -4.846 -0.802
94 HG3 LYS 12 2HG LYS 12 1.392 -4.750 -0.574
95 HD2 LYS 12 2HD LYS 12 1.040 -5.823 -2.858
96 HD3 LYS 12 1HD LYS 12 2.782 -5.899 -3.072
97 HE2 LYS 12 1HE LYS 12 2.105 -8.098 -2.399
98 HE3 LYS 12 2HE LYS 12 2.969 -7.417 -1.024
99 HZ1 LYS 12 2HZ LYS 12 0.971 -8.517 -0.329
100 HZ3 LYS 12 1HZ LYS 12 0.832 -6.922 0.006
101 H ASP 13 H ASP 13 2.528 0.299 -0.381
102 HA ASP 13 HA ASP 13 3.841 1.506 -2.793
103 HB2 ASP 13 2HB ASP 13 1.258 2.010 -2.440
104 HB3 ASP 13 1HB ASP 13 1.795 2.942 -1.096
105 HD2 ASP 13 HD2 ASP 13 1.838 2.594 -4.433
106 H VAL 14 H VAL 14 3.077 1.995 0.634
107 HA VAL 14 HA VAL 14 5.956 2.870 0.849
108 HB VAL 14 HB VAL 14 5.641 4.276 2.687
109 HG11 VAL 14 1HG1 VAL 14 3.825 5.083 0.345
110 HG12 VAL 14 2HG1 VAL 14 4.645 6.206 1.478
111 HG13 VAL 14 3HG1 VAL 14 5.599 5.166 0.373
112 HG21 VAL 14 3HG2 VAL 14 2.580 3.868 2.354
113 HG22 VAL 14 1HG2 VAL 14 3.548 3.313 3.735
114 HG23 VAL 14 2HG2 VAL 14 3.337 5.061 3.456
115 H TYR 15 H TYR 15 5.160 0.756 0.625
116 HA TYR 15 HA TYR 15 6.672 -0.801 2.729
117 HB2 TYR 15 1HB TYR 15 4.273 -1.473 3.001
118 HB3 TYR 15 2HB TYR 15 4.178 -1.800 1.287
119 HD1 TYR 15 HD2 TYR 15 5.908 -2.880 4.446
120 HD2 TYR 15 HD1 TYR 15 5.030 -3.948 0.376
121 HE1 TYR 15 HE2 TYR 15 6.817 -5.120 4.839
122 HE2 TYR 15 HE1 TYR 15 5.935 -6.186 0.770
123 HH TYR 15 HH TYR 15 6.886 -7.573 2.236
124 H ASP 16 H ASP 16 5.594 -0.399 -0.675
125 HA ASP 16 HA ASP 16 7.783 -2.144 -1.683
126 HB2 ASP 16 2HB ASP 16 5.571 -2.058 -2.935
127 HB3 ASP 16 1HB ASP 16 5.948 -0.387 -3.304
128 HD2 ASP 16 HD2 ASP 16 6.908 -3.611 -3.668
129 H LYS 17 H LYS 17 7.134 1.365 -1.311
130 HA LYS 17 HA LYS 17 9.732 2.132 -2.501
131 HB2 LYS 17 2HB LYS 17 7.659 3.603 -2.537
132 HB3 LYS 17 1HB LYS 17 7.785 3.801 -0.792
133 HG2 LYS 17 1HG LYS 17 10.040 4.925 -1.106
134 HG3 LYS 17 2HG LYS 17 9.926 4.665 -2.849
135 HD2 LYS 17 2HD LYS 17 7.826 6.086 -2.915
136 HD3 LYS 17 1HD LYS 17 7.941 6.335 -1.169
137 HE2 LYS 17 2HE LYS 17 10.198 7.472 -1.480
138 HE3 LYS 17 1HE LYS 17 10.082 7.221 -3.228
139 HZ1 LYS 17 2HZ LYS 17 8.045 8.550 -3.216
140 HZ3 LYS 17 1HZ LYS 17 8.151 8.782 -1.601
141 H VAL 18 H VAL 18 8.774 0.744 0.390
142 HA VAL 18 HA VAL 18 10.807 1.954 2.198
143 HB VAL 18 HB VAL 18 8.438 0.250 2.917
144 HG11 VAL 18 1HG1 VAL 18 10.113 -0.760 4.250
145 HG12 VAL 18 2HG1 VAL 18 8.978 0.166 5.240
146 HG13 VAL 18 3HG1 VAL 18 10.614 0.835 4.902
147 HG21 VAL 18 3HG2 VAL 18 7.785 2.109 4.388
148 HG22 VAL 18 1HG2 VAL 18 7.990 2.687 2.727
149 HG23 VAL 18 2HG2 VAL 18 9.257 3.014 3.942
150 H LYS 19 H LYS 19 9.825 -1.250 1.053
151 HA LYS 19 HA LYS 19 12.223 -2.619 1.918
152 HB2 LYS 19 2HB LYS 19 9.988 -3.662 1.260
153 HB3 LYS 19 1HB LYS 19 10.339 -3.306 -0.420
154 HG2 LYS 19 2HG LYS 19 10.734 -5.637 -0.011
155 HG3 LYS 19 1HG LYS 19 12.288 -4.905 -0.360
156 HD2 LYS 19 1HD LYS 19 12.832 -4.863 2.107
157 HD3 LYS 19 2HD LYS 19 11.259 -5.539 2.498
158 HE2 LYS 19 1HE LYS 19 13.407 -6.969 0.776
159 HE3 LYS 19 2HE LYS 19 13.210 -7.190 2.513
160 HZ1 LYS 19 2HZ LYS 19 12.110 -8.912 1.260
161 HZ3 LYS 19 1HZ LYS 19 11.166 -7.838 0.468
162 H GLU 20 H GLU 20 11.990 -0.256 -0.519
163 HA GLU 20 HA GLU 20 14.103 -1.323 -2.306
164 HB2 GLU 20 1HB GLU 20 11.997 -0.517 -3.359
165 HB3 GLU 20 2HB GLU 20 12.308 1.043 -2.647
166 HG2 GLU 20 2HG GLU 20 12.916 1.164 -4.970
167 HG3 GLU 20 1HG GLU 20 14.383 1.323 -4.017
168 HE2 GLU 20 HE2 GLU 20 12.486 -0.710 -5.942
169 HN1 NH2 21 2HN NH2 21 13.577 1.963 -1.122
170 HN2 NH2 21 1HN NH2 21 14.296 1.232 0.320
Start of MODEL 29
1 H1 ACE 1 3HA ACE 1 -12.253 -2.972 -3.968
2 H2 ACE 1 1HA ACE 1 -12.946 -1.376 -3.620
3 H3 ACE 1 2HA ACE 1 -11.359 -1.835 -2.937
4 H GLU 1 H GLU 1 -14.359 -2.675 -0.479
5 HA GLU 1 HA GLU 1 -14.420 -0.443 -2.172
6 HB2 GLU 1 2HB GLU 1 -15.083 -0.646 0.815
7 HB3 GLU 1 1HB GLU 1 -15.531 0.673 -0.227
8 HG2 GLU 1 2HG GLU 1 -17.473 -0.480 -0.155
9 HG3 GLU 1 1HG GLU 1 -16.828 -0.830 -1.746
10 HE2 GLU 1 HE2 GLU 1 -16.579 -2.785 -2.268
11 H SER 2 H SER 2 -14.157 1.754 -0.420
12 HA SER 2 HA SER 2 -11.624 2.864 -1.007
13 HB2 SER 2 2HB SER 2 -13.750 4.062 -0.252
14 HB3 SER 2 1HB SER 2 -13.234 3.722 1.376
15 HG SER 2 HG SER 2 -11.720 5.097 -0.586
16 H ALA 3 H ALA 3 -12.578 1.506 2.042
17 HA ALA 3 HA ALA 3 -9.812 1.668 3.125
18 HB1 ALA 3 3HB ALA 3 -12.263 0.243 4.371
19 HB2 ALA 3 1HB ALA 3 -11.843 1.965 4.638
20 HB3 ALA 3 2HB ALA 3 -10.766 0.678 5.249
21 H LYS 4 H LYS 4 -10.586 -0.109 1.057
22 HA LYS 4 HA LYS 4 -8.467 -2.092 1.482
23 HB2 LYS 4 1HB LYS 4 -10.882 -3.129 2.018
24 HB3 LYS 4 2HB LYS 4 -11.178 -3.004 0.296
25 HG2 LYS 4 1HG LYS 4 -10.621 -5.294 0.822
26 HG3 LYS 4 2HG LYS 4 -9.296 -4.661 -0.136
27 HD2 LYS 4 2HD LYS 4 -7.934 -4.313 1.981
28 HD3 LYS 4 1HD LYS 4 -9.288 -4.912 2.947
29 HE2 LYS 4 2HE LYS 4 -9.136 -7.160 1.760
30 HE3 LYS 4 1HE LYS 4 -7.782 -6.556 0.792
31 HZ1 LYS 4 2HZ LYS 4 -6.555 -6.190 2.862
32 HZ3 LYS 4 1HZ LYS 4 -7.805 -6.748 3.755
33 H HIS 5 H HIS 5 -9.259 0.193 -0.164
34 HA HIS 5 HA HIS 5 -7.663 -0.533 -2.607
35 HB2 HIS 5 1HB HIS 5 -10.088 0.165 -3.122
36 HB3 HIS 5 2HB HIS 5 -9.772 1.732 -2.389
37 HD2 HIS 5 HD2 HIS 5 -7.939 -0.512 -5.101
38 HE1 HIS 5 HE1 HIS 5 -8.004 3.377 -6.578
39 HE2 HIS 5 HE2 HIS 5 -7.227 0.996 -7.166
40 H MET 6 H MET 6 -8.143 1.952 -0.055
41 HA MET 6 HA MET 6 -5.645 3.356 -0.820
42 HB2 MET 6 1HB MET 6 -7.234 3.847 1.788
43 HB3 MET 6 2HB MET 6 -6.050 4.893 1.027
44 HG2 MET 6 1HG MET 6 -7.997 4.713 -0.987
45 HG3 MET 6 2HG MET 6 -8.988 4.577 0.459
46 HE1 MET 6 3HE MET 6 -10.193 6.944 -0.280
47 HE2 MET 6 1HE MET 6 -9.086 7.043 -1.686
48 HE3 MET 6 2HE MET 6 -9.265 8.441 -0.584
49 H PHE 7 H PHE 7 -6.902 1.144 1.707
50 HA PHE 7 HA PHE 7 -4.323 0.828 3.066
51 HB2 PHE 7 2HB PHE 7 -7.022 -0.526 3.077
52 HB3 PHE 7 1HB PHE 7 -5.763 -1.473 3.752
53 HD1 PHE 7 HD1 PHE 7 -7.896 1.506 4.201
54 HD2 PHE 7 HD2 PHE 7 -4.557 -0.645 5.856
55 HE1 PHE 7 HE1 PHE 7 -8.137 2.743 6.284
56 HE2 PHE 7 HE2 PHE 7 -4.793 0.600 7.941
57 HZ PHE 7 HZ PHE 7 -6.590 2.307 8.191
58 H ASP 8 H ASP 8 -6.003 -0.926 0.507
59 HA ASP 8 HA ASP 8 -4.135 -3.082 0.066
60 HB2 ASP 8 1HB ASP 8 -6.370 -2.751 -1.040
61 HB3 ASP 8 2HB ASP 8 -5.663 -1.650 -2.187
62 HD2 ASP 8 HD2 ASP 8 -4.293 -2.399 -3.625
63 H ARG 9 H ARG 9 -4.250 0.138 -1.488
64 HA ARG 9 HA ARG 9 -1.692 -0.026 -2.896
65 HB2 ARG 9 2HB ARG 9 -3.378 2.433 -2.114
66 HB3 ARG 9 1HB ARG 9 -1.836 2.594 -2.940
67 HG2 ARG 9 2HG ARG 9 -2.616 1.279 -4.880
68 HG3 ARG 9 1HG ARG 9 -4.166 0.947 -4.108
69 HD2 ARG 9 1HD ARG 9 -4.788 3.360 -4.140
70 HD3 ARG 9 2HD ARG 9 -3.180 3.806 -4.743
71 HH11 ARG 9 2HH1 ARG 9 -4.740 5.277 -5.619
72 HH12 ARG 9 1HH1 ARG 9 -5.399 5.702 -7.278
73 HH21 ARG 9 2HH2 ARG 9 -5.126 2.479 -8.459
74 HH22 ARG 9 1HH2 ARG 9 -5.602 4.222 -8.776
75 H ILE 10 H ILE 10 -2.488 1.795 0.129
76 HA ILE 10 HA ILE 10 0.117 2.587 0.875
77 HB ILE 10 HB ILE 10 -2.394 1.806 2.330
78 HG12 ILE 10 2HG1 ILE 10 -1.066 4.557 2.020
79 HG13 ILE 10 1HG1 ILE 10 -2.192 3.903 0.854
80 HG21 ILE 10 1HG2 ILE 10 -0.043 2.929 3.878
81 HG22 ILE 10 2HG2 ILE 10 -1.734 2.758 4.465
82 HG23 ILE 10 3HG2 ILE 10 -0.809 1.316 4.055
83 HD11 ILE 10 3HD1 ILE 10 -3.516 5.328 2.184
84 HD12 ILE 10 1HD1 ILE 10 -2.915 4.620 3.721
85 HD13 ILE 10 2HD1 ILE 10 -3.971 3.670 2.645
86 H GLY 11 H GLY 11 -1.393 -0.482 1.534
87 HA2 GLY 11 2HA GLY 11 0.626 -1.817 3.050
88 HA3 GLY 11 1HA GLY 11 -0.526 -2.668 1.973
89 H LYS 12 H LYS 12 0.563 -1.332 -0.385
90 HA LYS 12 HA LYS 12 3.414 -2.188 -0.602
91 HB2 LYS 12 2HB LYS 12 1.894 -4.201 -1.216
92 HB3 LYS 12 1HB LYS 12 1.370 -3.314 -2.637
93 HG2 LYS 12 2HG LYS 12 3.654 -3.314 -3.560
94 HG3 LYS 12 1HG LYS 12 4.358 -3.916 -2.072
95 HD2 LYS 12 1HD LYS 12 2.303 -5.578 -3.684
96 HD3 LYS 12 2HD LYS 12 3.998 -5.518 -4.101
97 HE2 LYS 12 2HE LYS 12 3.788 -7.502 -2.835
98 HE3 LYS 12 1HE LYS 12 4.641 -6.374 -1.789
99 HZ1 LYS 12 2HZ LYS 12 2.955 -7.556 -0.596
100 HZ3 LYS 12 1HZ LYS 12 2.558 -5.971 -0.621
101 H ASP 13 H ASP 13 2.549 0.296 -0.392
102 HA ASP 13 HA ASP 13 3.854 1.516 -2.794
103 HB2 ASP 13 1HB ASP 13 1.258 1.989 -2.448
104 HB3 ASP 13 2HB ASP 13 1.783 2.931 -1.109
105 HD2 ASP 13 HD2 ASP 13 2.980 4.681 -1.431
106 H VAL 14 H VAL 14 3.058 1.980 0.633
107 HA VAL 14 HA VAL 14 5.921 2.900 0.877
108 HB VAL 14 HB VAL 14 5.569 4.290 2.719
109 HG11 VAL 14 3HG2 VAL 14 3.753 5.086 0.374
110 HG12 VAL 14 1HG2 VAL 14 5.525 5.196 0.411
111 HG13 VAL 14 2HG2 VAL 14 4.550 6.212 1.520
112 HG21 VAL 14 1HG1 VAL 14 3.488 3.287 3.751
113 HG22 VAL 14 2HG1 VAL 14 3.249 5.032 3.480
114 HG23 VAL 14 3HG1 VAL 14 2.517 3.834 2.368
115 H TYR 15 H TYR 15 5.162 0.787 0.634
116 HA TYR 15 HA TYR 15 6.676 -0.785 2.722
117 HB2 TYR 15 2HB TYR 15 4.339 -1.533 3.055
118 HB3 TYR 15 1HB TYR 15 4.151 -1.774 1.336
119 HD1 TYR 15 HD1 TYR 15 6.131 -2.982 4.314
120 HD2 TYR 15 HD2 TYR 15 4.888 -3.893 0.297
121 HE1 TYR 15 HE1 TYR 15 7.168 -5.189 4.492
122 HE2 TYR 15 HE2 TYR 15 5.929 -6.096 0.477
123 HH TYR 15 HH TYR 15 7.617 -7.119 3.456
124 H ASP 16 H ASP 16 5.589 -0.341 -0.684
125 HA ASP 16 HA ASP 16 7.793 -2.053 -1.729
126 HB2 ASP 16 1HB ASP 16 5.557 -1.906 -2.970
127 HB3 ASP 16 2HB ASP 16 5.985 -0.248 -3.327
128 HD2 ASP 16 HD2 ASP 16 7.691 -3.374 -5.259
129 H LYS 17 H LYS 17 7.140 1.446 -1.296
130 HA LYS 17 HA LYS 17 9.745 2.223 -2.467
131 HB2 LYS 17 1HB LYS 17 7.667 3.691 -2.476
132 HB3 LYS 17 2HB LYS 17 7.798 3.865 -0.731
133 HG2 LYS 17 2HG LYS 17 10.067 4.967 -1.043
134 HG3 LYS 17 1HG LYS 17 9.928 4.784 -2.785
135 HD2 LYS 17 1HD LYS 17 7.985 6.411 -1.010
136 HD3 LYS 17 2HD LYS 17 9.379 7.081 -1.846
137 HE2 LYS 17 1HE LYS 17 8.387 6.413 -4.090
138 HE3 LYS 17 2HE LYS 17 6.959 5.774 -3.264
139 HZ1 LYS 17 2HZ LYS 17 6.572 7.992 -2.349
140 HZ3 LYS 17 1HZ LYS 17 7.889 8.586 -3.114
141 H VAL 18 H VAL 18 8.769 0.802 0.405
142 HA VAL 18 HA VAL 18 10.822 1.962 2.223
143 HB VAL 18 HB VAL 18 8.435 0.272 2.926
144 HG11 VAL 18 3HG2 VAL 18 10.107 -0.729 4.269
145 HG12 VAL 18 1HG2 VAL 18 8.967 0.199 5.251
146 HG13 VAL 18 2HG2 VAL 18 10.603 0.871 4.916
147 HG21 VAL 18 1HG1 VAL 18 7.770 2.131 4.391
148 HG22 VAL 18 2HG1 VAL 18 7.977 2.705 2.730
149 HG23 VAL 18 3HG1 VAL 18 9.241 3.041 3.946
150 H LYS 19 H LYS 19 9.804 -1.223 1.056
151 HA LYS 19 HA LYS 19 12.194 -2.615 1.932
152 HB2 LYS 19 1HB LYS 19 9.910 -3.584 1.372
153 HB3 LYS 19 2HB LYS 19 10.241 -3.332 -0.339
154 HG2 LYS 19 2HG LYS 19 12.082 -5.013 -0.261
155 HG3 LYS 19 1HG LYS 19 12.009 -5.076 1.493
156 HD2 LYS 19 2HD LYS 19 10.932 -7.068 0.653
157 HD3 LYS 19 1HD LYS 19 9.730 -6.069 1.434
158 HE2 LYS 19 1HE LYS 19 8.713 -7.008 -0.544
159 HE3 LYS 19 2HE LYS 19 8.888 -5.283 -0.842
160 HZ1 LYS 19 2HZ LYS 19 10.864 -5.763 -2.160
161 HZ3 LYS 19 1HZ LYS 19 9.558 -6.556 -2.743
162 H GLU 20 H GLU 20 11.973 -0.270 -0.500
163 HA GLU 20 HA GLU 20 14.015 -1.404 -2.331
164 HB2 GLU 20 1HB GLU 20 11.918 -0.556 -3.344
165 HB3 GLU 20 2HB GLU 20 12.266 1.000 -2.643
166 HG2 GLU 20 2HG GLU 20 12.826 1.101 -4.977
167 HG3 GLU 20 1HG GLU 20 14.315 1.251 -4.060
168 HE2 GLU 20 HE2 GLU 20 15.723 -0.310 -4.109
169 HN1 NH2 21 2HN NH2 21 13.609 1.905 -1.162
170 HN2 NH2 21 1HN NH2 21 14.337 1.165 0.270