Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22414 | 2jof RC | 15169 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 23.277 7.619 -3.898
2 H1 ASP 1 H1 ASP 1 21.615 6.396 -5.055
3 H2 ASP 1 H2 ASP 1 20.971 5.826 -3.642
4 H3 ASP 1 H3 ASP 1 20.915 7.447 -3.972
5 HB2 ASP 1 HB2 ASP 1 21.647 6.764 -1.514
6 HB3 ASP 1 HB3 ASP 1 23.371 7.165 -1.335
7 H ALA 2 H ALA 2 25.180 6.726 -4.113
8 HA ALA 2 HA ALA 2 25.629 3.894 -4.122
9 HB1 ALA 2 HB3 ALA 2 27.997 4.599 -4.361
10 HB2 ALA 2 HB1 ALA 2 26.931 5.464 -5.481
11 HB3 ALA 2 HB2 ALA 2 27.531 6.282 -4.022
12 H TYR 3 H TYR 3 26.223 6.454 -1.632
13 HA TYR 3 HA TYR 3 27.654 4.808 0.166
14 HD1 TYR 3 HD1 TYR 3 26.607 5.414 3.289
15 HD2 TYR 3 HD2 TYR 3 29.300 7.875 0.982
16 HE1 TYR 3 HE1 TYR 3 28.356 5.178 5.045
17 HE2 TYR 3 HE2 TYR 3 31.031 7.626 2.712
18 HH TYR 3 HH TYR 3 31.635 6.447 4.622
19 HB2 TYR 3 HB2 TYR 3 27.192 7.417 0.116
20 HB3 TYR 3 HB3 TYR 3 25.880 7.012 1.210
21 H ALA 4 H ALA 4 24.147 5.314 -0.157
22 HA ALA 4 HA ALA 4 23.253 3.836 2.096
23 HB1 ALA 4 HB3 ALA 4 21.158 3.598 0.797
24 HB2 ALA 4 HB1 ALA 4 21.791 5.252 0.691
25 HB3 ALA 4 HB2 ALA 4 21.992 4.132 -0.673
26 H GLN 5 H GLN 5 24.011 2.736 -1.242
27 HA GLN 5 HA GLN 5 23.534 -0.029 -0.673
28 HB2 GLN 5 HB2 GLN 5 23.626 1.313 -2.927
29 HB3 GLN 5 HB3 GLN 5 25.335 0.889 -2.923
30 HG2 GLN 5 HG2 GLN 5 24.897 -1.383 -3.247
31 HG3 GLN 5 HG3 GLN 5 23.368 -1.342 -2.374
32 HE21 GLN 5 HE22 GLN 5 21.493 -0.087 -3.479
33 HE22 GLN 5 HE21 GLN 5 21.487 -0.274 -5.238
34 H TRP 6 H TRP 6 26.531 1.932 -0.742
35 HA TRP 6 HA TRP 6 28.488 0.036 -0.224
36 HD1 TRP 6 HD1 TRP 6 31.132 1.354 -0.957
37 HE1 TRP 6 HE1 TRP 6 33.220 0.985 0.488
38 HE3 TRP 6 HE3 TRP 6 29.219 2.809 3.550
39 HZ2 TRP 6 HZ2 TRP 6 33.993 1.416 3.234
40 HZ3 TRP 6 HZ3 TRP 6 30.691 2.941 5.549
41 HH2 TRP 6 HH2 TRP 6 33.070 2.254 5.404
42 HB2 TRP 6 HB2 TRP 6 28.799 2.512 -0.558
43 HB3 TRP 6 HB3 TRP 6 28.292 2.767 1.107
44 H LEU 7 H LEU 7 26.478 1.639 2.274
45 HA LEU 7 HA LEU 7 27.424 -0.004 4.450
46 HG LEU 7 HG LEU 7 27.003 2.932 4.210
47 HB2 LEU 7 HB2 LEU 7 24.848 1.570 4.079
48 HB3 LEU 7 HB3 LEU 7 25.319 0.797 5.593
49 HD11 LEU 7 HD11 LEU 7 24.850 3.874 4.866
50 HD12 LEU 7 HD12 LEU 7 25.016 3.188 6.501
51 HD13 LEU 7 HD13 LEU 7 26.124 4.461 5.946
52 HD21 LEU 7 HD23 LEU 7 28.098 3.127 6.420
53 HD22 LEU 7 HD21 LEU 7 27.097 1.803 7.047
54 HD23 LEU 7 HD22 LEU 7 28.299 1.498 5.774
55 H LYS 8 H LYS 8 24.570 -0.418 2.287
56 HA LYS 8 HA LYS 8 23.474 -2.725 3.581
57 HB2 LYS 8 HB2 LYS 8 23.228 -1.511 0.847
58 HB3 LYS 8 HB3 LYS 8 22.887 -3.225 0.955
59 HG2 LYS 8 HG2 LYS 8 20.809 -2.185 1.237
60 HG3 LYS 8 HG3 LYS 8 21.284 -2.758 2.840
61 HD2 LYS 8 HD2 LYS 8 22.137 -0.401 3.312
62 HD3 LYS 8 HD3 LYS 8 21.414 0.088 1.760
63 HE2 LYS 8 HE2 LYS 8 19.204 -0.487 2.504
64 HE3 LYS 8 HE3 LYS 8 19.831 -1.297 3.949
65 HZ1 LYS 8 HZ3 LYS 8 19.004 0.932 4.446
66 HZ2 LYS 8 HZ1 LYS 8 20.616 0.821 4.756
67 HZ3 LYS 8 HZ2 LYS 8 20.096 1.600 3.408
68 H ASP 9 H ASP 9 25.939 -2.622 0.983
69 HA ASP 9 HA ASP 9 26.281 -5.473 0.871
70 HB2 ASP 9 HB2 ASP 9 28.103 -3.148 0.151
71 HB3 ASP 9 HB3 ASP 9 28.552 -4.825 -0.108
72 H GLY 10 H GLY 10 27.248 -3.323 3.417
73 HA2 GLY 10 HA2 GLY 10 28.056 -4.353 5.464
74 HA3 GLY 10 HA3 GLY 10 29.134 -5.379 4.525
75 H GLY 11 H GLY 11 29.114 -2.158 3.334
76 HA2 GLY 11 HA2 GLY 11 30.684 -0.573 3.173
77 HA3 GLY 11 HA3 GLY 11 30.615 -0.558 4.924
78 HA PRO 12 HA PRO 12 35.055 -1.394 4.547
79 HB2 PRO 12 HB2 PRO 12 34.733 -2.496 7.334
80 HB3 PRO 12 HB3 PRO 12 35.943 -1.334 6.711
81 HG2 PRO 12 HG2 PRO 12 33.840 -0.481 8.201
82 HG3 PRO 12 HG3 PRO 12 34.368 0.450 6.761
83 HD2 PRO 12 HD2 PRO 12 32.072 -1.512 6.993
84 HD3 PRO 12 HD3 PRO 12 32.115 0.098 6.221
85 H SER 13 H SER 13 32.738 -3.832 5.644
86 HA SER 13 HA SER 13 34.370 -6.153 5.663
87 HG SER 13 HG SER 13 31.283 -4.896 6.477
88 HB2 SER 13 HB2 SER 13 31.469 -6.180 4.781
89 HB3 SER 13 HB3 SER 13 32.358 -7.392 5.711
90 H SER 14 H SER 14 32.569 -4.568 3.045
91 HA SER 14 HA SER 14 32.935 -6.603 1.064
92 HG SER 14 HG SER 14 30.149 -4.105 1.234
93 HB2 SER 14 HB2 SER 14 32.268 -3.718 0.518
94 HB3 SER 14 HB3 SER 14 31.601 -5.175 -0.246
95 H GLY 15 H GLY 15 34.917 -3.979 2.125
96 HA2 GLY 15 HA2 GLY 15 36.941 -3.157 1.454
97 HA3 GLY 15 HA3 GLY 15 37.037 -4.455 0.267
98 H ARG 16 H ARG 16 34.379 -3.184 -0.852
99 HA ARG 16 HA ARG 16 35.379 -1.630 -2.962
100 HE ARG 16 HE ARG 16 29.949 -0.927 -2.761
101 HB2 ARG 16 HB2 ARG 16 33.058 -0.882 -3.354
102 HB3 ARG 16 HB3 ARG 16 33.246 -2.616 -3.134
103 HG2 ARG 16 HG2 ARG 16 32.615 -1.943 -0.576
104 HG3 ARG 16 HG3 ARG 16 31.847 -0.606 -1.396
105 HD2 ARG 16 HD2 ARG 16 31.392 -3.480 -2.253
106 HD3 ARG 16 HD3 ARG 16 30.485 -2.756 -0.926
107 HH11 ARG 16 HH11 ARG 16 29.943 -4.362 -3.261
108 HH12 ARG 16 HH12 ARG 16 28.218 -4.410 -3.326
109 HH21 ARG 16 HH21 ARG 16 27.838 -0.987 -3.615
110 HH22 ARG 16 HH22 ARG 16 27.179 -2.551 -3.974
111 HA PRO 17 HA PRO 17 36.660 2.124 -0.916
112 HB2 PRO 17 HB2 PRO 17 36.131 3.335 -3.635
113 HB3 PRO 17 HB3 PRO 17 37.533 3.573 -2.546
114 HG2 PRO 17 HG2 PRO 17 37.714 1.891 -4.664
115 HG3 PRO 17 HG3 PRO 17 38.407 1.416 -3.079
116 HD2 PRO 17 HD2 PRO 17 35.783 0.566 -4.313
117 HD3 PRO 17 HD3 PRO 17 37.004 -0.405 -3.429
118 HA PRO 18 HA PRO 18 32.559 3.848 -0.067
119 HB2 PRO 18 HB2 PRO 18 33.308 5.919 1.654
120 HB3 PRO 18 HB3 PRO 18 33.012 4.228 2.123
121 HG2 PRO 18 HG2 PRO 18 35.638 5.591 1.540
122 HG3 PRO 18 HG3 PRO 18 35.257 4.404 2.829
123 HD2 PRO 18 HD2 PRO 18 36.555 3.713 0.535
124 HD3 PRO 18 HD3 PRO 18 35.402 2.595 1.328
125 HA PRO 19 HA PRO 19 32.656 7.318 -2.940
126 HB2 PRO 19 HB2 PRO 19 30.013 7.964 -3.009
127 HB3 PRO 19 HB3 PRO 19 30.654 6.452 -3.722
128 HG2 PRO 19 HG2 PRO 19 29.290 6.824 -1.053
129 HG3 PRO 19 HG3 PRO 19 29.051 5.523 -2.254
130 HD2 PRO 19 HD2 PRO 19 30.670 5.290 -0.023
131 HD3 PRO 19 HD3 PRO 19 30.916 4.365 -1.536
132 H SER 20 H SER 20 33.612 9.143 -2.241
133 HA SER 20 HA SER 20 32.672 10.738 0.059
134 HG SER 20 HG SER 20 36.049 11.058 0.092
135 HB2 SER 20 HB2 SER 20 34.868 11.123 -2.011
136 HB3 SER 20 HB3 SER 20 34.445 12.332 -0.780
Start of MODEL 2
1 HA ASP 1 HA ASP 1 23.639 7.619 -4.423
2 H1 ASP 1 H1 ASP 1 21.892 6.256 -5.262
3 H2 ASP 1 H2 ASP 1 21.291 6.000 -3.749
4 H3 ASP 1 H3 ASP 1 21.248 7.516 -4.410
5 HB2 ASP 1 HB2 ASP 1 21.930 7.989 -2.244
6 HB3 ASP 1 HB3 ASP 1 23.236 6.989 -1.581
7 H ALA 2 H ALA 2 25.588 6.558 -4.370
8 HA ALA 2 HA ALA 2 25.570 3.661 -4.251
9 HB1 ALA 2 HB3 ALA 2 28.010 3.926 -4.610
10 HB2 ALA 2 HB1 ALA 2 27.056 4.872 -5.766
11 HB3 ALA 2 HB2 ALA 2 27.847 5.685 -4.398
12 H TYR 3 H TYR 3 26.365 6.237 -1.903
13 HA TYR 3 HA TYR 3 27.808 4.617 -0.065
14 HD1 TYR 3 HD1 TYR 3 26.867 5.354 3.005
15 HD2 TYR 3 HD2 TYR 3 29.495 7.781 0.591
16 HE1 TYR 3 HE1 TYR 3 28.571 5.338 4.818
17 HE2 TYR 3 HE2 TYR 3 31.170 7.784 2.407
18 HH TYR 3 HH TYR 3 31.495 7.296 4.671
19 HB2 TYR 3 HB2 TYR 3 27.403 7.236 -0.249
20 HB3 TYR 3 HB3 TYR 3 26.105 6.917 0.882
21 H ALA 4 H ALA 4 24.318 5.190 -0.414
22 HA ALA 4 HA ALA 4 23.376 3.899 1.933
23 HB1 ALA 4 HB3 ALA 4 21.268 3.692 0.678
24 HB2 ALA 4 HB1 ALA 4 21.991 5.289 0.407
25 HB3 ALA 4 HB2 ALA 4 22.110 4.035 -0.846
26 H GLN 5 H GLN 5 24.115 2.555 -1.315
27 HA GLN 5 HA GLN 5 23.555 -0.152 -0.516
28 HB2 GLN 5 HB2 GLN 5 23.764 1.021 -2.948
29 HB3 GLN 5 HB3 GLN 5 25.401 0.380 -2.818
30 HG2 GLN 5 HG2 GLN 5 24.185 -1.350 -3.866
31 HG3 GLN 5 HG3 GLN 5 24.249 -1.889 -2.187
32 HE21 GLN 5 HE22 GLN 5 22.172 -1.703 -0.882
33 HE22 GLN 5 HE21 GLN 5 20.686 -1.455 -1.814
34 H TRP 6 H TRP 6 26.553 1.780 -0.674
35 HA TRP 6 HA TRP 6 28.465 -0.188 -0.051
36 HD1 TRP 6 HD1 TRP 6 31.149 0.983 -1.069
37 HE1 TRP 6 HE1 TRP 6 33.328 0.812 0.297
38 HE3 TRP 6 HE3 TRP 6 29.411 2.650 3.451
39 HZ2 TRP 6 HZ2 TRP 6 34.173 1.257 2.996
40 HZ3 TRP 6 HZ3 TRP 6 30.948 2.816 5.396
41 HH2 TRP 6 HH2 TRP 6 33.323 2.133 5.180
42 HB2 TRP 6 HB2 TRP 6 28.852 2.237 -0.636
43 HB3 TRP 6 HB3 TRP 6 28.444 2.647 1.024
44 H LEU 7 H LEU 7 26.570 1.745 2.332
45 HA LEU 7 HA LEU 7 27.466 0.210 4.604
46 HG LEU 7 HG LEU 7 27.189 3.134 4.183
47 HB2 LEU 7 HB2 LEU 7 24.966 1.881 4.159
48 HB3 LEU 7 HB3 LEU 7 25.412 1.184 5.717
49 HD11 LEU 7 HD11 LEU 7 25.090 4.224 4.814
50 HD12 LEU 7 HD12 LEU 7 25.258 3.637 6.484
51 HD13 LEU 7 HD13 LEU 7 26.414 4.815 5.831
52 HD21 LEU 7 HD23 LEU 7 28.323 3.413 6.366
53 HD22 LEU 7 HD21 LEU 7 27.269 2.181 7.084
54 HD23 LEU 7 HD22 LEU 7 28.436 1.740 5.819
55 H LYS 8 H LYS 8 24.551 -0.224 2.542
56 HA LYS 8 HA LYS 8 23.353 -2.349 3.970
57 HB2 LYS 8 HB2 LYS 8 22.224 -1.104 2.236
58 HB3 LYS 8 HB3 LYS 8 23.337 -1.684 1.003
59 HG2 LYS 8 HG2 LYS 8 21.735 -3.703 2.568
60 HG3 LYS 8 HG3 LYS 8 20.920 -2.758 1.330
61 HD2 LYS 8 HD2 LYS 8 22.025 -3.734 -0.430
62 HD3 LYS 8 HD3 LYS 8 23.500 -4.008 0.458
63 HE2 LYS 8 HE2 LYS 8 21.238 -5.583 1.516
64 HE3 LYS 8 HE3 LYS 8 21.541 -5.889 -0.202
65 HZ1 LYS 8 HZ3 LYS 8 22.929 -7.347 1.108
66 HZ2 LYS 8 HZ1 LYS 8 23.919 -6.223 0.391
67 HZ3 LYS 8 HZ2 LYS 8 23.551 -6.052 1.968
68 H ASP 9 H ASP 9 26.127 -2.558 1.823
69 HA ASP 9 HA ASP 9 26.123 -5.530 2.036
70 HB2 ASP 9 HB2 ASP 9 27.743 -3.600 0.361
71 HB3 ASP 9 HB3 ASP 9 27.987 -5.356 0.380
72 H GLY 10 H GLY 10 26.804 -3.481 4.281
73 HA2 GLY 10 HA2 GLY 10 27.850 -4.067 6.288
74 HA3 GLY 10 HA3 GLY 10 28.870 -5.239 5.454
75 H GLY 11 H GLY 11 28.627 -2.055 4.073
76 HA2 GLY 11 HA2 GLY 11 30.102 -0.378 3.710
77 HA3 GLY 11 HA3 GLY 11 30.477 -0.481 5.419
78 HA PRO 12 HA PRO 12 34.642 -1.450 3.886
79 HB2 PRO 12 HB2 PRO 12 34.930 -2.666 6.628
80 HB3 PRO 12 HB3 PRO 12 36.024 -1.536 5.774
81 HG2 PRO 12 HG2 PRO 12 34.383 -0.661 7.754
82 HG3 PRO 12 HG3 PRO 12 34.616 0.317 6.267
83 HD2 PRO 12 HD2 PRO 12 32.325 -1.530 6.969
84 HD3 PRO 12 HD3 PRO 12 32.287 0.107 6.251
85 H SER 13 H SER 13 32.534 -3.844 5.421
86 HA SER 13 HA SER 13 33.906 -6.256 4.972
87 HG SER 13 HG SER 13 31.210 -4.906 6.464
88 HB2 SER 13 HB2 SER 13 30.914 -5.927 4.577
89 HB3 SER 13 HB3 SER 13 31.795 -7.348 5.153
90 H SER 14 H SER 14 32.186 -4.217 2.719
91 HA SER 14 HA SER 14 31.941 -6.025 0.506
92 HG SER 14 HG SER 14 30.926 -2.956 1.863
93 HB2 SER 14 HB2 SER 14 32.251 -3.048 0.194
94 HB3 SER 14 HB3 SER 14 31.187 -4.163 -0.687
95 H GLY 15 H GLY 15 34.721 -4.301 1.757
96 HA2 GLY 15 HA2 GLY 15 36.843 -3.982 1.002
97 HA3 GLY 15 HA3 GLY 15 36.542 -5.238 -0.197
98 H ARG 16 H ARG 16 34.541 -2.393 -0.376
99 HA ARG 16 HA ARG 16 36.026 -1.500 -2.798
100 HE ARG 16 HE ARG 16 30.018 -1.967 -1.723
101 HB2 ARG 16 HB2 ARG 16 33.642 -0.456 -3.351
102 HB3 ARG 16 HB3 ARG 16 34.146 -2.072 -3.830
103 HG2 ARG 16 HG2 ARG 16 32.959 -3.029 -1.893
104 HG3 ARG 16 HG3 ARG 16 32.389 -1.408 -1.435
105 HD2 ARG 16 HD2 ARG 16 31.735 -1.808 -4.183
106 HD3 ARG 16 HD3 ARG 16 31.402 -3.347 -3.398
107 HH11 ARG 16 HH11 ARG 16 30.244 -1.133 -5.112
108 HH12 ARG 16 HH12 ARG 16 28.669 -0.395 -5.162
109 HH21 ARG 16 HH21 ARG 16 27.909 -1.148 -1.877
110 HH22 ARG 16 HH22 ARG 16 27.446 -0.302 -3.318
111 HA PRO 17 HA PRO 17 36.932 2.348 -0.831
112 HB2 PRO 17 HB2 PRO 17 36.429 3.546 -3.560
113 HB3 PRO 17 HB3 PRO 17 37.786 3.840 -2.430
114 HG2 PRO 17 HG2 PRO 17 38.105 2.182 -4.548
115 HG3 PRO 17 HG3 PRO 17 38.772 1.729 -2.946
116 HD2 PRO 17 HD2 PRO 17 36.222 0.774 -4.258
117 HD3 PRO 17 HD3 PRO 17 37.465 -0.148 -3.356
118 HA PRO 18 HA PRO 18 32.734 3.847 -0.081
119 HB2 PRO 18 HB2 PRO 18 33.281 5.873 1.739
120 HB3 PRO 18 HB3 PRO 18 33.157 4.139 2.131
121 HG2 PRO 18 HG2 PRO 18 35.645 5.771 1.596
122 HG3 PRO 18 HG3 PRO 18 35.369 4.548 2.879
123 HD2 PRO 18 HD2 PRO 18 36.726 3.972 0.593
124 HD3 PRO 18 HD3 PRO 18 35.648 2.764 1.360
125 HA PRO 19 HA PRO 19 32.835 7.285 -2.986
126 HB2 PRO 19 HB2 PRO 19 30.181 7.646 -3.423
127 HB3 PRO 19 HB3 PRO 19 31.042 6.165 -3.937
128 HG2 PRO 19 HG2 PRO 19 29.379 6.568 -1.437
129 HG3 PRO 19 HG3 PRO 19 29.315 5.209 -2.599
130 HD2 PRO 19 HD2 PRO 19 30.737 5.110 -0.249
131 HD3 PRO 19 HD3 PRO 19 31.234 4.228 -1.727
132 H SER 20 H SER 20 33.847 8.642 -1.415
133 HA SER 20 HA SER 20 32.195 10.626 0.090
134 HG SER 20 HG SER 20 33.782 8.852 0.954
135 HB2 SER 20 HB2 SER 20 35.211 10.368 -0.283
136 HB3 SER 20 HB3 SER 20 34.392 11.568 0.747
Start of MODEL 3
1 HA ASP 1 HA ASP 1 25.902 8.432 -4.329
2 H1 ASP 1 H1 ASP 1 24.279 8.610 -6.047
3 H2 ASP 1 H2 ASP 1 23.061 8.780 -4.948
4 H3 ASP 1 H3 ASP 1 24.225 9.954 -5.067
5 HB2 ASP 1 HB2 ASP 1 23.551 9.255 -2.656
6 HB3 ASP 1 HB3 ASP 1 24.798 8.215 -1.925
7 H ALA 2 H ALA 2 26.582 6.480 -3.748
8 HA ALA 2 HA ALA 2 24.680 4.189 -3.898
9 HB1 ALA 2 HB3 ALA 2 26.615 2.880 -4.622
10 HB2 ALA 2 HB1 ALA 2 26.379 4.284 -5.671
11 HB3 ALA 2 HB2 ALA 2 27.672 4.303 -4.458
12 H TYR 3 H TYR 3 25.627 6.011 -1.541
13 HA TYR 3 HA TYR 3 27.182 4.486 0.259
14 HD1 TYR 3 HD2 TYR 3 25.746 5.226 3.416
15 HD2 TYR 3 HD1 TYR 3 28.647 7.388 1.053
16 HE1 TYR 3 HE2 TYR 3 27.367 5.165 5.316
17 HE2 TYR 3 HE1 TYR 3 30.249 7.300 2.930
18 HH TYR 3 HH TYR 3 30.711 6.185 4.947
19 HB2 TYR 3 HB2 TYR 3 26.479 7.036 0.200
20 HB3 TYR 3 HB3 TYR 3 25.149 6.505 1.217
21 H ALA 4 H ALA 4 23.637 4.690 -0.130
22 HA ALA 4 HA ALA 4 22.813 3.091 2.048
23 HB1 ALA 4 HB3 ALA 4 20.802 2.664 0.663
24 HB2 ALA 4 HB1 ALA 4 21.271 4.372 0.612
25 HB3 ALA 4 HB2 ALA 4 21.635 3.309 -0.766
26 H GLN 5 H GLN 5 23.790 2.080 -1.258
27 HA GLN 5 HA GLN 5 23.581 -0.739 -0.736
28 HB2 GLN 5 HB2 GLN 5 23.712 0.560 -3.032
29 HB3 GLN 5 HB3 GLN 5 25.458 0.434 -2.796
30 HG2 GLN 5 HG2 GLN 5 24.737 -2.161 -2.269
31 HG3 GLN 5 HG3 GLN 5 23.408 -1.695 -3.330
32 HE21 GLN 5 HE22 GLN 5 26.711 -2.824 -3.215
33 HE22 GLN 5 HE21 GLN 5 26.935 -2.585 -4.963
34 H TRP 6 H TRP 6 26.324 1.582 -0.576
35 HA TRP 6 HA TRP 6 28.425 -0.229 -0.009
36 HD1 TRP 6 HD1 TRP 6 31.001 0.883 -0.716
37 HE1 TRP 6 HE1 TRP 6 33.102 0.902 0.768
38 HE3 TRP 6 HE3 TRP 6 28.962 2.872 3.546
39 HZ2 TRP 6 HZ2 TRP 6 33.827 1.809 3.376
40 HZ3 TRP 6 HZ3 TRP 6 30.393 3.280 5.532
41 HH2 TRP 6 HH2 TRP 6 32.825 2.779 5.456
42 HB2 TRP 6 HB2 TRP 6 28.616 2.257 -0.479
43 HB3 TRP 6 HB3 TRP 6 28.083 2.555 1.162
44 H LEU 7 H LEU 7 26.229 1.381 2.345
45 HA LEU 7 HA LEU 7 27.219 -0.084 4.628
46 HG LEU 7 HG LEU 7 26.424 2.817 4.322
47 HB2 LEU 7 HB2 LEU 7 24.521 1.200 4.042
48 HB3 LEU 7 HB3 LEU 7 24.936 0.474 5.595
49 HD11 LEU 7 HD11 LEU 7 24.144 3.409 5.037
50 HD12 LEU 7 HD12 LEU 7 24.450 2.707 6.643
51 HD13 LEU 7 HD13 LEU 7 25.344 4.144 6.111
52 HD21 LEU 7 HD23 LEU 7 27.418 3.044 6.629
53 HD22 LEU 7 HD21 LEU 7 26.711 1.470 7.046
54 HD23 LEU 7 HD22 LEU 7 27.952 1.598 5.777
55 H LYS 8 H LYS 8 24.550 -0.829 2.358
56 HA LYS 8 HA LYS 8 23.642 -3.180 3.624
57 HB2 LYS 8 HB2 LYS 8 22.811 -1.704 1.538
58 HB3 LYS 8 HB3 LYS 8 23.562 -2.997 0.608
59 HG2 LYS 8 HG2 LYS 8 22.060 -4.631 1.533
60 HG3 LYS 8 HG3 LYS 8 21.598 -3.555 2.864
61 HD2 LYS 8 HD2 LYS 8 20.624 -1.965 1.074
62 HD3 LYS 8 HD3 LYS 8 20.851 -3.292 -0.071
63 HE2 LYS 8 HE2 LYS 8 18.615 -3.517 0.645
64 HE3 LYS 8 HE3 LYS 8 19.495 -4.739 1.578
65 HZ1 LYS 8 HZ3 LYS 8 18.013 -3.480 3.001
66 HZ2 LYS 8 HZ1 LYS 8 19.564 -3.127 3.420
67 HZ3 LYS 8 HZ2 LYS 8 18.686 -2.052 2.542
68 H ASP 9 H ASP 9 26.223 -2.881 1.205
69 HA ASP 9 HA ASP 9 26.854 -5.689 1.015
70 HB2 ASP 9 HB2 ASP 9 28.501 -3.169 0.532
71 HB3 ASP 9 HB3 ASP 9 29.079 -4.798 0.192
72 H GLY 10 H GLY 10 27.406 -3.505 3.641
73 HA2 GLY 10 HA2 GLY 10 28.162 -4.484 5.744
74 HA3 GLY 10 HA3 GLY 10 29.434 -5.344 4.882
75 H GLY 11 H GLY 11 28.853 -1.984 3.963
76 HA2 GLY 11 HA2 GLY 11 30.025 -0.064 4.268
77 HA3 GLY 11 HA3 GLY 11 30.545 -0.653 5.848
78 HA PRO 12 HA PRO 12 34.383 -0.761 3.368
79 HB2 PRO 12 HB2 PRO 12 36.229 -0.790 5.371
80 HB3 PRO 12 HB3 PRO 12 35.295 0.669 4.934
81 HG2 PRO 12 HG2 PRO 12 34.796 -1.249 7.215
82 HG3 PRO 12 HG3 PRO 12 34.732 0.541 7.220
83 HD2 PRO 12 HD2 PRO 12 32.517 -1.126 6.959
84 HD3 PRO 12 HD3 PRO 12 32.576 0.551 6.352
85 H SER 13 H SER 13 33.036 -3.190 5.387
86 HA SER 13 HA SER 13 35.084 -5.082 5.646
87 HG SER 13 HG SER 13 31.875 -4.348 6.682
88 HB2 SER 13 HB2 SER 13 32.181 -5.848 5.213
89 HB3 SER 13 HB3 SER 13 33.406 -6.657 6.202
90 H SER 14 H SER 14 32.870 -4.576 2.899
91 HA SER 14 HA SER 14 33.581 -6.902 1.416
92 HG SER 14 HG SER 14 30.694 -5.996 1.556
93 HB2 SER 14 HB2 SER 14 32.530 -4.357 0.189
94 HB3 SER 14 HB3 SER 14 32.095 -6.031 -0.192
95 H GLY 15 H GLY 15 35.557 -4.230 2.050
96 HA2 GLY 15 HA2 GLY 15 37.584 -3.620 1.137
97 HA3 GLY 15 HA3 GLY 15 37.385 -4.838 -0.122
98 H ARG 16 H ARG 16 34.738 -2.681 0.042
99 HA ARG 16 HA ARG 16 35.563 -1.372 -2.488
100 HE ARG 16 HE ARG 16 31.079 1.168 -3.634
101 HB2 ARG 16 HB2 ARG 16 33.431 -2.586 -2.445
102 HB3 ARG 16 HB3 ARG 16 32.871 -1.609 -1.079
103 HG2 ARG 16 HG2 ARG 16 32.934 0.419 -2.493
104 HG3 ARG 16 HG3 ARG 16 33.495 -0.538 -3.872
105 HD2 ARG 16 HD2 ARG 16 31.424 -1.388 -4.297
106 HD3 ARG 16 HD3 ARG 16 31.041 -1.591 -2.582
107 HH11 ARG 16 HH11 ARG 16 28.960 -1.548 -2.603
108 HH12 ARG 16 HH12 ARG 16 27.620 -0.529 -2.455
109 HH21 ARG 16 HH21 ARG 16 29.275 2.412 -3.336
110 HH22 ARG 16 HH22 ARG 16 27.792 1.734 -2.735
111 HA PRO 17 HA PRO 17 36.258 2.387 -0.134
112 HB2 PRO 17 HB2 PRO 17 36.427 4.248 -2.163
113 HB3 PRO 17 HB3 PRO 17 37.726 3.092 -1.743
114 HG2 PRO 17 HG2 PRO 17 35.664 2.870 -3.943
115 HG3 PRO 17 HG3 PRO 17 37.420 2.520 -4.018
116 HD2 PRO 17 HD2 PRO 17 35.514 0.578 -3.693
117 HD3 PRO 17 HD3 PRO 17 37.145 0.437 -2.976
118 HA PRO 18 HA PRO 18 32.087 3.940 0.235
119 HB2 PRO 18 HB2 PRO 18 32.495 6.275 1.670
120 HB3 PRO 18 HB3 PRO 18 32.509 4.633 2.368
121 HG2 PRO 18 HG2 PRO 18 34.862 6.325 1.502
122 HG3 PRO 18 HG3 PRO 18 34.685 5.343 2.992
123 HD2 PRO 18 HD2 PRO 18 36.069 4.456 0.818
124 HD3 PRO 18 HD3 PRO 18 35.101 3.338 1.827
125 HA PRO 19 HA PRO 19 31.977 6.980 -3.120
126 HB2 PRO 19 HB2 PRO 19 29.296 7.208 -3.474
127 HB3 PRO 19 HB3 PRO 19 30.180 5.706 -3.890
128 HG2 PRO 19 HG2 PRO 19 28.581 6.297 -1.385
129 HG3 PRO 19 HG3 PRO 19 28.570 4.817 -2.396
130 HD2 PRO 19 HD2 PRO 19 30.048 5.090 -0.077
131 HD3 PRO 19 HD3 PRO 19 30.505 4.003 -1.424
132 H SER 20 H SER 20 32.065 9.178 -3.119
133 HA SER 20 HA SER 20 30.434 10.936 -1.486
134 HG SER 20 HG SER 20 32.619 11.125 1.116
135 HB2 SER 20 HB2 SER 20 33.359 10.401 -0.973
136 HB3 SER 20 HB3 SER 20 32.800 12.086 -0.952
Start of MODEL 4
1 HA ASP 1 HA ASP 1 22.723 7.589 -3.551
2 H1 ASP 1 H1 ASP 1 24.609 8.733 -4.415
3 H2 ASP 1 H2 ASP 1 24.160 8.422 -5.973
4 H3 ASP 1 H3 ASP 1 23.240 9.413 -5.030
5 HB2 ASP 1 HB2 ASP 1 21.317 8.335 -5.535
6 HB3 ASP 1 HB3 ASP 1 21.934 6.926 -6.401
7 H ALA 2 H ALA 2 24.741 6.617 -2.862
8 HA ALA 2 HA ALA 2 25.145 3.941 -4.014
9 HB1 ALA 2 HB3 ALA 2 27.603 4.274 -4.290
10 HB2 ALA 2 HB1 ALA 2 26.639 5.237 -5.418
11 HB3 ALA 2 HB2 ALA 2 27.378 6.018 -4.008
12 H TYR 3 H TYR 3 26.154 6.304 -1.480
13 HA TYR 3 HA TYR 3 27.444 4.557 0.230
14 HD1 TYR 3 HD2 TYR 3 26.472 5.095 3.378
15 HD2 TYR 3 HD1 TYR 3 29.142 7.618 1.098
16 HE1 TYR 3 HE2 TYR 3 28.163 4.982 5.198
17 HE2 TYR 3 HE1 TYR 3 30.797 7.518 2.921
18 HH TYR 3 HH TYR 3 31.001 7.006 5.248
19 HB2 TYR 3 HB2 TYR 3 27.003 7.170 0.259
20 HB3 TYR 3 HB3 TYR 3 25.715 6.742 1.367
21 H ALA 4 H ALA 4 23.942 5.018 -0.106
22 HA ALA 4 HA ALA 4 22.986 3.486 2.071
23 HB1 ALA 4 HB3 ALA 4 20.978 3.206 0.617
24 HB2 ALA 4 HB1 ALA 4 21.557 4.881 0.643
25 HB3 ALA 4 HB2 ALA 4 21.892 3.848 -0.763
26 H GLN 5 H GLN 5 23.971 2.413 -1.225
27 HA GLN 5 HA GLN 5 23.507 -0.387 -0.677
28 HB2 GLN 5 HB2 GLN 5 23.694 0.874 -2.995
29 HB3 GLN 5 HB3 GLN 5 25.425 0.574 -2.791
30 HG2 GLN 5 HG2 GLN 5 24.597 -1.920 -2.270
31 HG3 GLN 5 HG3 GLN 5 23.143 -1.395 -3.120
32 HE21 GLN 5 HE22 GLN 5 24.098 0.111 -5.333
33 HE22 GLN 5 HE21 GLN 5 25.200 -0.980 -6.191
34 H TRP 6 H TRP 6 26.387 1.757 -0.662
35 HA TRP 6 HA TRP 6 28.420 -0.044 -0.090
36 HD1 TRP 6 HD1 TRP 6 30.978 1.338 -0.887
37 HE1 TRP 6 HE1 TRP 6 33.103 1.068 0.520
38 HE3 TRP 6 HE3 TRP 6 29.082 2.697 3.663
39 HZ2 TRP 6 HZ2 TRP 6 33.913 1.551 3.249
40 HZ3 TRP 6 HZ3 TRP 6 30.580 2.888 5.636
41 HH2 TRP 6 HH2 TRP 6 32.990 2.331 5.440
42 HB2 TRP 6 HB2 TRP 6 28.616 2.446 -0.444
43 HB3 TRP 6 HB3 TRP 6 28.135 2.674 1.236
44 H LEU 7 H LEU 7 26.329 1.504 2.384
45 HA LEU 7 HA LEU 7 27.304 -0.118 4.571
46 HG LEU 7 HG LEU 7 26.878 2.796 4.389
47 HB2 LEU 7 HB2 LEU 7 24.724 1.441 4.171
48 HB3 LEU 7 HB3 LEU 7 25.151 0.644 5.685
49 HD11 LEU 7 HD11 LEU 7 24.699 3.725 4.996
50 HD12 LEU 7 HD12 LEU 7 24.821 3.016 6.623
51 HD13 LEU 7 HD13 LEU 7 25.941 4.300 6.121
52 HD21 LEU 7 HD23 LEU 7 27.894 2.955 6.647
53 HD22 LEU 7 HD21 LEU 7 26.881 1.610 7.205
54 HD23 LEU 7 HD22 LEU 7 28.129 1.344 5.968
55 H LYS 8 H LYS 8 24.543 -0.637 2.315
56 HA LYS 8 HA LYS 8 23.431 -2.901 3.645
57 HB2 LYS 8 HB2 LYS 8 23.447 -1.979 0.760
58 HB3 LYS 8 HB3 LYS 8 22.770 -3.529 1.144
59 HG2 LYS 8 HG2 LYS 8 21.775 -1.289 2.857
60 HG3 LYS 8 HG3 LYS 8 21.393 -1.172 1.140
61 HD2 LYS 8 HD2 LYS 8 19.590 -2.298 2.263
62 HD3 LYS 8 HD3 LYS 8 20.373 -3.419 1.158
63 HE2 LYS 8 HE2 LYS 8 21.496 -3.466 3.912
64 HE3 LYS 8 HE3 LYS 8 19.774 -3.832 3.865
65 HZ1 LYS 8 HZ3 LYS 8 21.062 -5.836 3.639
66 HZ2 LYS 8 HZ1 LYS 8 20.258 -5.569 2.233
67 HZ3 LYS 8 HZ2 LYS 8 21.879 -5.263 2.343
68 H ASP 9 H ASP 9 26.181 -2.810 1.411
69 HA ASP 9 HA ASP 9 26.524 -5.717 1.399
70 HB2 ASP 9 HB2 ASP 9 28.501 -3.502 0.748
71 HB3 ASP 9 HB3 ASP 9 28.687 -5.216 0.358
72 H GLY 10 H GLY 10 27.125 -3.400 3.843
73 HA2 GLY 10 HA2 GLY 10 27.937 -4.014 5.996
74 HA3 GLY 10 HA3 GLY 10 29.034 -5.184 5.281
75 H GLY 11 H GLY 11 29.088 -2.209 3.526
76 HA2 GLY 11 HA2 GLY 11 30.616 -0.570 3.289
77 HA3 GLY 11 HA3 GLY 11 30.628 -0.483 5.042
78 HA PRO 12 HA PRO 12 35.002 -1.307 4.447
79 HB2 PRO 12 HB2 PRO 12 34.924 -2.330 7.279
80 HB3 PRO 12 HB3 PRO 12 36.048 -1.155 6.530
81 HG2 PRO 12 HG2 PRO 12 34.033 -0.313 8.141
82 HG3 PRO 12 HG3 PRO 12 34.429 0.583 6.638
83 HD2 PRO 12 HD2 PRO 12 32.219 -1.429 7.103
84 HD3 PRO 12 HD3 PRO 12 32.156 0.149 6.273
85 H SER 13 H SER 13 32.859 -3.878 5.699
86 HA SER 13 HA SER 13 34.662 -6.062 5.731
87 HG SER 13 HG SER 13 31.139 -6.529 4.239
88 HB2 SER 13 HB2 SER 13 32.626 -7.453 5.511
89 HB3 SER 13 HB3 SER 13 32.407 -6.145 6.688
90 H SER 14 H SER 14 32.784 -4.702 3.089
91 HA SER 14 HA SER 14 33.465 -6.766 1.157
92 HG SER 14 HG SER 14 30.984 -4.296 1.905
93 HB2 SER 14 HB2 SER 14 32.445 -4.049 0.385
94 HB3 SER 14 HB3 SER 14 32.049 -5.631 -0.303
95 H GLY 15 H GLY 15 35.110 -3.939 2.221
96 HA2 GLY 15 HA2 GLY 15 36.986 -2.835 1.533
97 HA3 GLY 15 HA3 GLY 15 37.268 -4.130 0.372
98 H ARG 16 H ARG 16 34.377 -3.105 -0.634
99 HA ARG 16 HA ARG 16 35.171 -1.647 -2.888
100 HE ARG 16 HE ARG 16 28.813 -2.214 -1.195
101 HB2 ARG 16 HB2 ARG 16 32.805 -1.058 -3.197
102 HB3 ARG 16 HB3 ARG 16 33.102 -2.758 -2.859
103 HG2 ARG 16 HG2 ARG 16 32.512 -1.987 -0.342
104 HG3 ARG 16 HG3 ARG 16 31.691 -0.692 -1.181
105 HD2 ARG 16 HD2 ARG 16 31.094 -3.379 -2.326
106 HD3 ARG 16 HD3 ARG 16 30.704 -3.240 -0.624
107 HH11 ARG 16 HH11 ARG 16 30.824 -1.680 -3.995
108 HH12 ARG 16 HH12 ARG 16 29.438 -1.110 -4.907
109 HH21 ARG 16 HH21 ARG 16 27.332 -1.831 -2.325
110 HH22 ARG 16 HH22 ARG 16 27.367 -1.297 -3.953
111 HA PRO 17 HA PRO 17 36.450 2.235 -1.126
112 HB2 PRO 17 HB2 PRO 17 35.729 3.298 -3.863
113 HB3 PRO 17 HB3 PRO 17 37.180 3.633 -2.867
114 HG2 PRO 17 HG2 PRO 17 37.302 1.849 -4.902
115 HG3 PRO 17 HG3 PRO 17 38.090 1.477 -3.334
116 HD2 PRO 17 HD2 PRO 17 35.437 0.485 -4.386
117 HD3 PRO 17 HD3 PRO 17 36.729 -0.399 -3.512
118 HA PRO 18 HA PRO 18 32.363 3.876 -0.096
119 HB2 PRO 18 HB2 PRO 18 33.114 5.970 1.568
120 HB3 PRO 18 HB3 PRO 18 32.964 4.266 2.063
121 HG2 PRO 18 HG2 PRO 18 35.453 5.777 1.261
122 HG3 PRO 18 HG3 PRO 18 35.238 4.620 2.614
123 HD2 PRO 18 HD2 PRO 18 36.397 3.906 0.255
124 HD3 PRO 18 HD3 PRO 18 35.358 2.764 1.163
125 HA PRO 19 HA PRO 19 32.276 7.245 -3.090
126 HB2 PRO 19 HB2 PRO 19 29.618 7.854 -3.049
127 HB3 PRO 19 HB3 PRO 19 30.255 6.345 -3.773
128 HG2 PRO 19 HG2 PRO 19 29.012 6.724 -1.047
129 HG3 PRO 19 HG3 PRO 19 28.738 5.403 -2.222
130 HD2 PRO 19 HD2 PRO 19 30.452 5.210 -0.073
131 HD3 PRO 19 HD3 PRO 19 30.661 4.288 -1.593
132 H SER 20 H SER 20 33.011 9.276 -2.677
133 HA SER 20 HA SER 20 31.787 10.992 -0.609
134 HG SER 20 HG SER 20 33.000 9.164 0.379
135 HB2 SER 20 HB2 SER 20 34.778 10.439 -0.868
136 HB3 SER 20 HB3 SER 20 34.042 11.708 0.142
Start of MODEL 5
1 HA ASP 1 HA ASP 1 24.654 8.218 -4.665
2 H1 ASP 1 H1 ASP 1 26.457 9.093 -3.397
3 H2 ASP 1 H2 ASP 1 27.542 8.756 -4.587
4 H3 ASP 1 H3 ASP 1 26.372 9.897 -4.857
5 HB2 ASP 1 HB2 ASP 1 26.764 8.100 -6.835
6 HB3 ASP 1 HB3 ASP 1 25.243 7.189 -6.935
7 H ALA 2 H ALA 2 24.188 5.887 -4.949
8 HA ALA 2 HA ALA 2 24.215 3.783 -4.204
9 HB1 ALA 2 HB3 ALA 2 26.079 2.430 -4.893
10 HB2 ALA 2 HB1 ALA 2 25.804 3.704 -6.094
11 HB3 ALA 2 HB2 ALA 2 27.153 3.843 -4.944
12 H TYR 3 H TYR 3 25.693 5.922 -2.193
13 HA TYR 3 HA TYR 3 27.170 4.495 -0.368
14 HD1 TYR 3 HD2 TYR 3 26.557 5.158 2.714
15 HD2 TYR 3 HD1 TYR 3 28.442 7.970 0.036
16 HE1 TYR 3 HE2 TYR 3 28.454 5.419 4.301
17 HE2 TYR 3 HE1 TYR 3 30.309 8.238 1.612
18 HH TYR 3 HH TYR 3 31.097 7.720 3.719
19 HB2 TYR 3 HB2 TYR 3 26.425 7.053 -0.581
20 HB3 TYR 3 HB3 TYR 3 25.310 6.608 0.695
21 H ALA 4 H ALA 4 23.598 4.700 -0.390
22 HA ALA 4 HA ALA 4 23.073 3.352 2.050
23 HB1 ALA 4 HB3 ALA 4 20.886 2.818 1.008
24 HB2 ALA 4 HB1 ALA 4 21.343 4.512 0.753
25 HB3 ALA 4 HB2 ALA 4 21.508 3.336 -0.573
26 H GLN 5 H GLN 5 23.720 2.012 -1.217
27 HA GLN 5 HA GLN 5 23.448 -0.744 -0.425
28 HB2 GLN 5 HB2 GLN 5 23.474 0.447 -2.842
29 HB3 GLN 5 HB3 GLN 5 25.197 0.091 -2.736
30 HG2 GLN 5 HG2 GLN 5 24.239 -1.782 -3.829
31 HG3 GLN 5 HG3 GLN 5 24.497 -2.344 -2.174
32 HE21 GLN 5 HE22 GLN 5 22.615 -3.054 -0.988
33 HE22 GLN 5 HE21 GLN 5 21.002 -2.837 -1.707
34 H TRP 6 H TRP 6 26.230 1.498 -0.746
35 HA TRP 6 HA TRP 6 28.335 -0.242 -0.075
36 HD1 TRP 6 HD1 TRP 6 30.931 1.060 -1.070
37 HE1 TRP 6 HE1 TRP 6 33.073 0.987 0.368
38 HE3 TRP 6 HE3 TRP 6 28.986 2.767 3.333
39 HZ2 TRP 6 HZ2 TRP 6 33.826 1.620 3.067
40 HZ3 TRP 6 HZ3 TRP 6 30.458 3.109 5.308
41 HH2 TRP 6 HH2 TRP 6 32.872 2.559 5.181
42 HB2 TRP 6 HB2 TRP 6 28.559 2.144 -0.759
43 HB3 TRP 6 HB3 TRP 6 28.089 2.626 0.867
44 H LEU 7 H LEU 7 26.311 1.599 2.241
45 HA LEU 7 HA LEU 7 27.326 0.305 4.605
46 HG LEU 7 HG LEU 7 26.761 3.126 3.951
47 HB2 LEU 7 HB2 LEU 7 24.658 1.653 4.029
48 HB3 LEU 7 HB3 LEU 7 25.172 1.143 5.635
49 HD11 LEU 7 HD11 LEU 7 24.536 4.044 4.376
50 HD12 LEU 7 HD12 LEU 7 24.685 3.667 6.108
51 HD13 LEU 7 HD13 LEU 7 25.747 4.880 5.361
52 HD21 LEU 7 HD23 LEU 7 27.780 3.740 6.105
53 HD22 LEU 7 HD21 LEU 7 26.802 2.518 6.940
54 HD23 LEU 7 HD22 LEU 7 28.049 2.026 5.776
55 H LYS 8 H LYS 8 24.472 -0.505 2.579
56 HA LYS 8 HA LYS 8 23.371 -2.569 4.101
57 HB2 LYS 8 HB2 LYS 8 22.606 -1.452 1.850
58 HB3 LYS 8 HB3 LYS 8 23.566 -2.704 1.075
59 HG2 LYS 8 HG2 LYS 8 21.357 -3.469 1.059
60 HG3 LYS 8 HG3 LYS 8 22.137 -4.419 2.326
61 HD2 LYS 8 HD2 LYS 8 21.047 -3.187 4.061
62 HD3 LYS 8 HD3 LYS 8 20.585 -1.868 2.962
63 HE2 LYS 8 HE2 LYS 8 18.970 -3.170 1.834
64 HE3 LYS 8 HE3 LYS 8 19.601 -4.690 2.479
65 HZ1 LYS 8 HZ3 LYS 8 17.557 -3.984 3.587
66 HZ2 LYS 8 HZ1 LYS 8 18.809 -4.069 4.648
67 HZ3 LYS 8 HZ2 LYS 8 18.282 -2.605 4.115
68 H ASP 9 H ASP 9 26.001 -2.895 1.743
69 HA ASP 9 HA ASP 9 26.418 -5.743 2.181
70 HB2 ASP 9 HB2 ASP 9 27.993 -3.561 0.778
71 HB3 ASP 9 HB3 ASP 9 28.527 -5.234 0.844
72 H GLY 10 H GLY 10 26.892 -3.485 4.496
73 HA2 GLY 10 HA2 GLY 10 27.987 -3.840 6.533
74 HA3 GLY 10 HA3 GLY 10 29.031 -5.055 5.799
75 H GLY 11 H GLY 11 28.745 -2.054 4.072
76 HA2 GLY 11 HA2 GLY 11 30.179 -0.374 3.568
77 HA3 GLY 11 HA3 GLY 11 30.462 -0.274 5.292
78 HA PRO 12 HA PRO 12 34.738 -1.136 4.073
79 HB2 PRO 12 HB2 PRO 12 34.990 -2.033 6.937
80 HB3 PRO 12 HB3 PRO 12 36.034 -0.916 6.006
81 HG2 PRO 12 HG2 PRO 12 34.258 0.034 7.828
82 HG3 PRO 12 HG3 PRO 12 34.476 0.867 6.253
83 HD2 PRO 12 HD2 PRO 12 32.308 -1.086 7.063
84 HD3 PRO 12 HD3 PRO 12 32.163 0.474 6.207
85 H SER 13 H SER 13 32.682 -3.467 5.768
86 HA SER 13 HA SER 13 34.214 -5.817 5.633
87 HG SER 13 HG SER 13 31.382 -4.490 6.883
88 HB2 SER 13 HB2 SER 13 31.221 -5.753 5.134
89 HB3 SER 13 HB3 SER 13 32.185 -7.022 5.903
90 H SER 14 H SER 14 32.192 -4.316 3.138
91 HA SER 14 HA SER 14 32.640 -6.390 1.152
92 HG SER 14 HG SER 14 31.624 -3.030 1.832
93 HB2 SER 14 HB2 SER 14 31.816 -4.536 -0.454
94 HB3 SER 14 HB3 SER 14 30.719 -5.340 0.635
95 H GLY 15 H GLY 15 34.872 -4.077 2.285
96 HA2 GLY 15 HA2 GLY 15 36.936 -3.484 1.528
97 HA3 GLY 15 HA3 GLY 15 36.824 -4.867 0.440
98 H ARG 16 H ARG 16 34.490 -2.357 -0.024
99 HA ARG 16 HA ARG 16 35.836 -1.566 -2.551
100 HE ARG 16 HE ARG 16 30.057 -2.450 -0.752
101 HB2 ARG 16 HB2 ARG 16 33.578 -1.013 -3.388
102 HB3 ARG 16 HB3 ARG 16 33.853 -2.709 -3.002
103 HG2 ARG 16 HG2 ARG 16 32.632 -2.261 -0.768
104 HG3 ARG 16 HG3 ARG 16 32.174 -0.702 -1.470
105 HD2 ARG 16 HD2 ARG 16 31.248 -1.950 -3.446
106 HD3 ARG 16 HD3 ARG 16 31.584 -3.469 -2.600
107 HH11 ARG 16 HH11 ARG 16 29.493 -2.332 -4.229
108 HH12 ARG 16 HH12 ARG 16 27.758 -2.224 -4.034
109 HH21 ARG 16 HH21 ARG 16 27.771 -2.299 -0.612
110 HH22 ARG 16 HH22 ARG 16 26.873 -2.688 -1.960
111 HA PRO 17 HA PRO 17 36.594 2.492 -0.958
112 HB2 PRO 17 HB2 PRO 17 36.033 3.390 -3.789
113 HB3 PRO 17 HB3 PRO 17 37.372 3.861 -2.698
114 HG2 PRO 17 HG2 PRO 17 37.774 2.014 -4.636
115 HG3 PRO 17 HG3 PRO 17 38.454 1.755 -2.996
116 HD2 PRO 17 HD2 PRO 17 35.957 0.556 -4.208
117 HD3 PRO 17 HD3 PRO 17 37.235 -0.212 -3.213
118 HA PRO 18 HA PRO 18 32.325 3.824 -0.329
119 HB2 PRO 18 HB2 PRO 18 32.776 5.999 1.361
120 HB3 PRO 18 HB3 PRO 18 32.642 4.298 1.860
121 HG2 PRO 18 HG2 PRO 18 35.135 5.912 1.327
122 HG3 PRO 18 HG3 PRO 18 34.827 4.738 2.648
123 HD2 PRO 18 HD2 PRO 18 36.277 4.096 0.436
124 HD3 PRO 18 HD3 PRO 18 35.194 2.900 1.216
125 HA PRO 19 HA PRO 19 32.236 7.026 -3.453
126 HB2 PRO 19 HB2 PRO 19 29.553 7.384 -3.708
127 HB3 PRO 19 HB3 PRO 19 30.387 5.893 -4.236
128 HG2 PRO 19 HG2 PRO 19 28.858 6.357 -1.665
129 HG3 PRO 19 HG3 PRO 19 28.800 4.935 -2.750
130 HD2 PRO 19 HD2 PRO 19 30.314 5.029 -0.465
131 HD3 PRO 19 HD3 PRO 19 30.764 4.065 -1.907
132 H SER 20 H SER 20 33.198 8.791 -2.584
133 HA SER 20 HA SER 20 31.746 10.643 -0.747
134 HG SER 20 HG SER 20 33.815 9.028 -0.294
135 HB2 SER 20 HB2 SER 20 34.600 10.710 -1.811
136 HB3 SER 20 HB3 SER 20 33.898 11.827 -0.617
Start of MODEL 6
1 HA ASP 1 HA ASP 1 21.656 6.674 -3.534
2 H1 ASP 1 H1 ASP 1 22.818 7.995 -2.005
3 H2 ASP 1 H2 ASP 1 23.945 8.466 -3.131
4 H3 ASP 1 H3 ASP 1 22.391 8.952 -3.301
5 HB2 ASP 1 HB2 ASP 1 23.552 7.771 -5.633
6 HB3 ASP 1 HB3 ASP 1 22.354 6.487 -5.887
7 H ALA 2 H ALA 2 24.884 6.292 -4.982
8 HA ALA 2 HA ALA 2 25.026 3.626 -4.489
9 HB1 ALA 2 HB3 ALA 2 27.362 3.784 -5.120
10 HB2 ALA 2 HB1 ALA 2 26.446 4.987 -6.042
11 HB3 ALA 2 HB2 ALA 2 27.429 5.494 -4.650
12 H TYR 3 H TYR 3 26.110 6.079 -2.176
13 HA TYR 3 HA TYR 3 27.581 4.449 -0.399
14 HD1 TYR 3 HD1 TYR 3 26.352 5.656 2.839
15 HD2 TYR 3 HD2 TYR 3 29.470 7.076 0.215
16 HE1 TYR 3 HE1 TYR 3 27.988 5.669 4.735
17 HE2 TYR 3 HE2 TYR 3 31.077 7.044 2.068
18 HH TYR 3 HH TYR 3 31.328 6.770 4.345
19 HB2 TYR 3 HB2 TYR 3 27.240 7.041 -0.542
20 HB3 TYR 3 HB3 TYR 3 25.879 6.769 0.534
21 H ALA 4 H ALA 4 24.048 4.794 -0.750
22 HA ALA 4 HA ALA 4 23.297 3.637 1.780
23 HB1 ALA 4 HB3 ALA 4 21.114 3.343 0.695
24 HB2 ALA 4 HB1 ALA 4 21.762 4.950 0.318
25 HB3 ALA 4 HB2 ALA 4 21.824 3.656 -0.899
26 H GLN 5 H GLN 5 23.984 2.297 -1.444
27 HA GLN 5 HA GLN 5 23.502 -0.463 -0.716
28 HB2 GLN 5 HB2 GLN 5 23.383 0.627 -3.023
29 HB3 GLN 5 HB3 GLN 5 25.142 0.576 -3.068
30 HG2 GLN 5 HG2 GLN 5 23.725 -1.998 -2.392
31 HG3 GLN 5 HG3 GLN 5 23.478 -1.364 -4.010
32 HE21 GLN 5 HE22 GLN 5 24.968 -1.996 -5.565
33 HE22 GLN 5 HE21 GLN 5 26.444 -2.815 -5.068
34 H TRP 6 H TRP 6 26.444 1.587 -0.979
35 HA TRP 6 HA TRP 6 28.403 -0.319 -0.350
36 HD1 TRP 6 HD1 TRP 6 31.089 0.664 -1.236
37 HE1 TRP 6 HE1 TRP 6 33.260 0.677 0.173
38 HE3 TRP 6 HE3 TRP 6 29.301 2.915 3.009
39 HZ2 TRP 6 HZ2 TRP 6 34.044 1.398 2.816
40 HZ3 TRP 6 HZ3 TRP 6 30.804 3.282 4.950
41 HH2 TRP 6 HH2 TRP 6 33.168 2.531 4.870
42 HB2 TRP 6 HB2 TRP 6 28.789 2.073 -0.994
43 HB3 TRP 6 HB3 TRP 6 28.333 2.555 0.634
44 H LEU 7 H LEU 7 26.543 1.631 2.060
45 HA LEU 7 HA LEU 7 27.570 0.220 4.357
46 HG LEU 7 HG LEU 7 27.041 3.165 3.894
47 HB2 LEU 7 HB2 LEU 7 24.961 1.722 3.907
48 HB3 LEU 7 HB3 LEU 7 25.464 1.088 5.471
49 HD11 LEU 7 HD11 LEU 7 24.882 4.058 4.614
50 HD12 LEU 7 HD12 LEU 7 25.131 3.429 6.259
51 HD13 LEU 7 HD13 LEU 7 26.157 4.731 5.642
52 HD21 LEU 7 HD23 LEU 7 28.232 3.518 6.037
53 HD22 LEU 7 HD21 LEU 7 27.319 2.187 6.775
54 HD23 LEU 7 HD22 LEU 7 28.470 1.870 5.459
55 H LYS 8 H LYS 8 24.844 -0.529 2.200
56 HA LYS 8 HA LYS 8 23.558 -2.442 3.838
57 HB2 LYS 8 HB2 LYS 8 22.838 -1.247 1.642
58 HB3 LYS 8 HB3 LYS 8 23.593 -2.600 0.798
59 HG2 LYS 8 HG2 LYS 8 22.009 -4.143 1.635
60 HG3 LYS 8 HG3 LYS 8 21.597 -3.110 3.016
61 HD2 LYS 8 HD2 LYS 8 20.596 -1.434 1.381
62 HD3 LYS 8 HD3 LYS 8 20.864 -2.621 0.098
63 HE2 LYS 8 HE2 LYS 8 18.583 -2.836 0.803
64 HE3 LYS 8 HE3 LYS 8 19.455 -4.255 1.405
65 HZ1 LYS 8 HZ3 LYS 8 18.046 -3.321 3.123
66 HZ2 LYS 8 HZ1 LYS 8 19.620 -3.119 3.558
67 HZ3 LYS 8 HZ2 LYS 8 18.758 -1.844 2.986
68 H ASP 9 H ASP 9 26.258 -2.889 1.619
69 HA ASP 9 HA ASP 9 26.461 -5.775 2.141
70 HB2 ASP 9 HB2 ASP 9 27.971 -3.739 0.504
71 HB3 ASP 9 HB3 ASP 9 28.747 -5.267 0.901
72 H GLY 10 H GLY 10 27.028 -3.338 4.264
73 HA2 GLY 10 HA2 GLY 10 28.008 -3.670 6.376
74 HA3 GLY 10 HA3 GLY 10 29.089 -4.895 5.726
75 H GLY 11 H GLY 11 28.903 -2.000 3.840
76 HA2 GLY 11 HA2 GLY 11 30.253 -0.247 3.423
77 HA3 GLY 11 HA3 GLY 11 30.431 -0.098 5.160
78 HA PRO 12 HA PRO 12 34.809 -0.935 4.280
79 HB2 PRO 12 HB2 PRO 12 34.836 -1.875 7.144
80 HB3 PRO 12 HB3 PRO 12 35.963 -0.762 6.310
81 HG2 PRO 12 HG2 PRO 12 34.070 0.207 7.996
82 HG3 PRO 12 HG3 PRO 12 34.403 1.036 6.440
83 HD2 PRO 12 HD2 PRO 12 32.167 -0.900 7.093
84 HD3 PRO 12 HD3 PRO 12 32.093 0.665 6.230
85 H SER 13 H SER 13 32.626 -3.272 5.788
86 HA SER 13 HA SER 13 34.205 -5.602 5.817
87 HG SER 13 HG SER 13 31.332 -4.282 6.902
88 HB2 SER 13 HB2 SER 13 31.238 -5.594 5.173
89 HB3 SER 13 HB3 SER 13 32.180 -6.836 6.012
90 H SER 14 H SER 14 32.307 -4.194 3.111
91 HA SER 14 HA SER 14 32.637 -6.340 1.286
92 HG SER 14 HG SER 14 30.322 -3.229 1.129
93 HB2 SER 14 HB2 SER 14 32.305 -3.634 0.151
94 HB3 SER 14 HB3 SER 14 31.280 -5.066 -0.005
95 H GLY 15 H GLY 15 34.945 -4.004 2.368
96 HA2 GLY 15 HA2 GLY 15 37.018 -3.377 1.664
97 HA3 GLY 15 HA3 GLY 15 37.014 -4.784 0.603
98 H ARG 16 H ARG 16 34.451 -2.787 -0.241
99 HA ARG 16 HA ARG 16 35.722 -1.934 -2.727
100 HE ARG 16 HE ARG 16 31.399 0.763 -4.626
101 HB2 ARG 16 HB2 ARG 16 33.523 -2.820 -2.851
102 HB3 ARG 16 HB3 ARG 16 32.916 -1.750 -1.581
103 HG2 ARG 16 HG2 ARG 16 32.993 0.171 -3.003
104 HG3 ARG 16 HG3 ARG 16 33.880 -0.696 -4.273
105 HD2 ARG 16 HD2 ARG 16 32.035 -1.848 -5.011
106 HD3 ARG 16 HD3 ARG 16 31.288 -1.896 -3.405
107 HH11 ARG 16 HH11 ARG 16 29.424 -2.101 -4.241
108 HH12 ARG 16 HH12 ARG 16 27.916 -1.250 -4.280
109 HH21 ARG 16 HH21 ARG 16 29.442 1.841 -4.895
110 HH22 ARG 16 HH22 ARG 16 27.953 0.937 -4.835
111 HA PRO 17 HA PRO 17 37.056 2.151 -1.443
112 HB2 PRO 17 HB2 PRO 17 36.046 2.821 -4.218
113 HB3 PRO 17 HB3 PRO 17 37.509 3.425 -3.378
114 HG2 PRO 17 HG2 PRO 17 37.708 1.388 -5.143
115 HG3 PRO 17 HG3 PRO 17 38.589 1.299 -3.583
116 HD2 PRO 17 HD2 PRO 17 36.019 -0.053 -4.380
117 HD3 PRO 17 HD3 PRO 17 37.378 -0.682 -3.402
118 HA PRO 18 HA PRO 18 32.968 3.715 -0.171
119 HB2 PRO 18 HB2 PRO 18 33.826 5.778 1.461
120 HB3 PRO 18 HB3 PRO 18 33.730 4.070 1.951
121 HG2 PRO 18 HG2 PRO 18 36.148 5.607 1.003
122 HG3 PRO 18 HG3 PRO 18 36.027 4.449 2.365
123 HD2 PRO 18 HD2 PRO 18 37.030 3.757 -0.070
124 HD3 PRO 18 HD3 PRO 18 36.082 2.597 0.912
125 HA PRO 19 HA PRO 19 33.063 7.141 -3.184
126 HB2 PRO 19 HB2 PRO 19 30.376 7.491 -3.535
127 HB3 PRO 19 HB3 PRO 19 31.278 6.116 -4.240
128 HG2 PRO 19 HG2 PRO 19 29.542 6.144 -1.777
129 HG3 PRO 19 HG3 PRO 19 29.661 4.893 -3.043
130 HD2 PRO 19 HD2 PRO 19 30.988 4.814 -0.582
131 HD3 PRO 19 HD3 PRO 19 31.522 3.930 -2.043
132 H SER 20 H SER 20 32.576 9.457 -3.105
133 HA SER 20 HA SER 20 31.314 10.598 -0.741
134 HG SER 20 HG SER 20 35.269 11.451 -1.195
135 HB2 SER 20 HB2 SER 20 33.253 12.113 -0.379
136 HB3 SER 20 HB3 SER 20 33.570 10.423 0.060
Start of MODEL 7
1 HA ASP 1 HA ASP 1 22.254 7.744 -2.444
2 H1 ASP 1 H1 ASP 1 23.314 8.437 -4.440
3 H2 ASP 1 H2 ASP 1 22.325 7.481 -5.368
4 H3 ASP 1 H3 ASP 1 21.708 8.747 -4.526
5 HB2 ASP 1 HB2 ASP 1 20.070 7.454 -3.923
6 HB3 ASP 1 HB3 ASP 1 20.537 5.752 -3.889
7 H ALA 2 H ALA 2 24.721 6.935 -4.005
8 HA ALA 2 HA ALA 2 24.814 4.075 -4.089
9 HB1 ALA 2 HB3 ALA 2 27.439 4.966 -4.098
10 HB2 ALA 2 HB1 ALA 2 26.393 4.800 -5.509
11 HB3 ALA 2 HB2 ALA 2 26.567 6.377 -4.718
12 H TYR 3 H TYR 3 25.642 6.389 -1.529
13 HA TYR 3 HA TYR 3 27.281 4.692 0.028
14 HD1 TYR 3 HD2 TYR 3 26.367 5.213 3.296
15 HD2 TYR 3 HD1 TYR 3 28.905 7.715 0.859
16 HE1 TYR 3 HE2 TYR 3 28.134 5.160 5.052
17 HE2 TYR 3 HE1 TYR 3 30.648 7.660 2.597
18 HH TYR 3 HH TYR 3 31.081 7.100 4.815
19 HB2 TYR 3 HB2 TYR 3 26.727 7.269 0.149
20 HB3 TYR 3 HB3 TYR 3 25.499 6.768 1.296
21 H ALA 4 H ALA 4 23.728 4.901 -0.123
22 HA ALA 4 HA ALA 4 23.080 3.336 2.170
23 HB1 ALA 4 HB3 ALA 4 20.943 2.977 0.958
24 HB2 ALA 4 HB1 ALA 4 21.441 4.678 0.889
25 HB3 ALA 4 HB2 ALA 4 21.662 3.632 -0.525
26 H GLN 5 H GLN 5 23.824 2.409 -1.209
27 HA GLN 5 HA GLN 5 23.532 -0.423 -0.733
28 HB2 GLN 5 HB2 GLN 5 23.400 0.830 -2.960
29 HB3 GLN 5 HB3 GLN 5 25.170 0.849 -2.963
30 HG2 GLN 5 HG2 GLN 5 25.286 -1.537 -3.100
31 HG3 GLN 5 HG3 GLN 5 23.623 -1.745 -2.551
32 HE21 GLN 5 HE22 GLN 5 21.853 -1.460 -4.066
33 HE22 GLN 5 HE21 GLN 5 22.242 -1.324 -5.784
34 H TRP 6 H TRP 6 26.384 1.776 -0.827
35 HA TRP 6 HA TRP 6 28.419 -0.055 -0.247
36 HD1 TRP 6 HD1 TRP 6 31.091 1.216 -0.930
37 HE1 TRP 6 HE1 TRP 6 33.112 0.976 0.610
38 HE3 TRP 6 HE3 TRP 6 28.919 2.739 3.449
39 HZ2 TRP 6 HZ2 TRP 6 33.769 1.612 3.355
40 HZ3 TRP 6 HZ3 TRP 6 30.291 2.966 5.511
41 HH2 TRP 6 HH2 TRP 6 32.713 2.431 5.471
42 HB2 TRP 6 HB2 TRP 6 28.719 2.379 -0.696
43 HB3 TRP 6 HB3 TRP 6 28.149 2.732 0.932
44 H LEU 7 H LEU 7 26.339 1.562 2.210
45 HA LEU 7 HA LEU 7 27.360 0.122 4.464
46 HG LEU 7 HG LEU 7 26.634 2.925 4.169
47 HB2 LEU 7 HB2 LEU 7 24.633 1.343 3.900
48 HB3 LEU 7 HB3 LEU 7 25.066 0.650 5.459
49 HD11 LEU 7 HD11 LEU 7 24.330 3.647 4.593
50 HD12 LEU 7 HD12 LEU 7 24.422 3.033 6.260
51 HD13 LEU 7 HD13 LEU 7 25.438 4.401 5.752
52 HD21 LEU 7 HD23 LEU 7 27.456 3.279 6.488
53 HD22 LEU 7 HD21 LEU 7 26.566 1.840 7.020
54 HD23 LEU 7 HD22 LEU 7 27.918 1.689 5.877
55 H LYS 8 H LYS 8 24.663 -0.740 2.266
56 HA LYS 8 HA LYS 8 23.787 -3.064 3.616
57 HB2 LYS 8 HB2 LYS 8 22.700 -1.796 1.680
58 HB3 LYS 8 HB3 LYS 8 23.745 -2.718 0.586
59 HG2 LYS 8 HG2 LYS 8 22.754 -4.826 1.315
60 HG3 LYS 8 HG3 LYS 8 21.926 -4.017 2.647
61 HD2 LYS 8 HD2 LYS 8 20.162 -4.149 1.257
62 HD3 LYS 8 HD3 LYS 8 20.794 -2.610 0.668
63 HE2 LYS 8 HE2 LYS 8 21.970 -3.831 -1.174
64 HE3 LYS 8 HE3 LYS 8 21.350 -5.361 -0.537
65 HZ1 LYS 8 HZ3 LYS 8 19.946 -4.571 -2.322
66 HZ2 LYS 8 HZ1 LYS 8 19.100 -4.537 -0.914
67 HZ3 LYS 8 HZ2 LYS 8 19.676 -3.139 -1.551
68 H ASP 9 H ASP 9 26.514 -2.732 1.418
69 HA ASP 9 HA ASP 9 27.067 -5.605 1.297
70 HB2 ASP 9 HB2 ASP 9 28.803 -3.259 0.479
71 HB3 ASP 9 HB3 ASP 9 28.995 -4.949 -0.015
72 H GLY 10 H GLY 10 27.162 -4.035 3.980
73 HA2 GLY 10 HA2 GLY 10 28.205 -4.553 5.998
74 HA3 GLY 10 HA3 GLY 10 29.467 -5.448 5.147
75 H GLY 11 H GLY 11 28.564 -2.160 4.260
76 HA2 GLY 11 HA2 GLY 11 29.776 -0.237 4.053
77 HA3 GLY 11 HA3 GLY 11 30.399 -0.554 5.667
78 HA PRO 12 HA PRO 12 34.171 -0.931 3.200
79 HB2 PRO 12 HB2 PRO 12 36.048 -1.128 5.162
80 HB3 PRO 12 HB3 PRO 12 35.147 0.380 4.841
81 HG2 PRO 12 HG2 PRO 12 34.628 -1.681 6.992
82 HG3 PRO 12 HG3 PRO 12 34.626 0.106 7.127
83 HD2 PRO 12 HD2 PRO 12 32.348 -1.453 6.795
84 HD3 PRO 12 HD3 PRO 12 32.463 0.253 6.292
85 H SER 13 H SER 13 32.778 -3.445 5.052
86 HA SER 13 HA SER 13 34.758 -5.377 5.336
87 HG SER 13 HG SER 13 31.777 -4.653 6.401
88 HB2 SER 13 HB2 SER 13 31.844 -5.915 4.637
89 HB3 SER 13 HB3 SER 13 32.969 -7.032 5.431
90 H SER 14 H SER 14 32.841 -4.723 2.419
91 HA SER 14 HA SER 14 33.834 -6.985 0.893
92 HG SER 14 HG SER 14 30.869 -5.095 1.398
93 HB2 SER 14 HB2 SER 14 32.581 -5.245 -0.854
94 HB3 SER 14 HB3 SER 14 31.795 -6.556 0.023
95 H GLY 15 H GLY 15 35.358 -4.087 1.734
96 HA2 GLY 15 HA2 GLY 15 37.357 -3.240 1.023
97 HA3 GLY 15 HA3 GLY 15 37.402 -4.421 -0.284
98 H ARG 16 H ARG 16 34.586 -3.102 -0.924
99 HA ARG 16 HA ARG 16 35.326 -1.335 -3.027
100 HE ARG 16 HE ARG 16 29.133 -1.893 -1.467
101 HB2 ARG 16 HB2 ARG 16 32.918 -0.764 -3.137
102 HB3 ARG 16 HB3 ARG 16 33.292 -2.483 -3.152
103 HG2 ARG 16 HG2 ARG 16 32.775 -2.365 -0.563
104 HG3 ARG 16 HG3 ARG 16 31.948 -0.875 -0.961
105 HD2 ARG 16 HD2 ARG 16 31.345 -3.390 -2.564
106 HD3 ARG 16 HD3 ARG 16 30.772 -3.254 -0.921
107 HH11 ARG 16 HH11 ARG 16 30.988 -2.209 -4.399
108 HH12 ARG 16 HH12 ARG 16 29.595 -1.771 -5.367
109 HH21 ARG 16 HH21 ARG 16 27.577 -1.720 -2.663
110 HH22 ARG 16 HH22 ARG 16 27.637 -1.193 -4.341
111 HA PRO 17 HA PRO 17 36.476 2.189 -0.474
112 HB2 PRO 17 HB2 PRO 17 36.234 3.621 -3.124
113 HB3 PRO 17 HB3 PRO 17 37.521 3.748 -1.886
114 HG2 PRO 17 HG2 PRO 17 37.913 2.262 -4.118
115 HG3 PRO 17 HG3 PRO 17 38.445 1.640 -2.521
116 HD2 PRO 17 HD2 PRO 17 35.939 0.945 -4.068
117 HD3 PRO 17 HD3 PRO 17 37.078 -0.129 -3.196
118 HA PRO 18 HA PRO 18 32.356 3.896 0.120
119 HB2 PRO 18 HB2 PRO 18 32.953 6.020 1.840
120 HB3 PRO 18 HB3 PRO 18 32.690 4.328 2.314
121 HG2 PRO 18 HG2 PRO 18 35.293 5.774 1.840
122 HG3 PRO 18 HG3 PRO 18 34.896 4.576 3.114
123 HD2 PRO 18 HD2 PRO 18 36.321 3.928 0.880
124 HD3 PRO 18 HD3 PRO 18 35.180 2.772 1.631
125 HA PRO 19 HA PRO 19 32.423 7.230 -2.897
126 HB2 PRO 19 HB2 PRO 19 29.757 7.745 -3.117
127 HB3 PRO 19 HB3 PRO 19 30.513 6.251 -3.750
128 HG2 PRO 19 HG2 PRO 19 29.014 6.621 -1.149
129 HG3 PRO 19 HG3 PRO 19 28.870 5.289 -2.329
130 HD2 PRO 19 HD2 PRO 19 30.405 5.135 -0.048
131 HD3 PRO 19 HD3 PRO 19 30.800 4.245 -1.550
132 H SER 20 H SER 20 33.433 8.986 -2.038
133 HA SER 20 HA SER 20 31.932 11.032 -0.634
134 HG SER 20 HG SER 20 34.395 8.812 -0.073
135 HB2 SER 20 HB2 SER 20 33.763 11.262 1.112
136 HB3 SER 20 HB3 SER 20 32.648 9.899 1.331
Start of MODEL 8
1 HA ASP 1 HA ASP 1 23.139 7.691 -2.965
2 H1 ASP 1 H1 ASP 1 23.997 7.810 -5.273
3 H2 ASP 1 H2 ASP 1 22.682 6.880 -5.743
4 H3 ASP 1 H3 ASP 1 22.441 8.346 -5.124
5 HB2 ASP 1 HB2 ASP 1 21.309 6.036 -2.534
6 HB3 ASP 1 HB3 ASP 1 20.830 7.444 -3.466
7 H ALA 2 H ALA 2 25.424 6.547 -4.562
8 HA ALA 2 HA ALA 2 25.613 3.777 -4.256
9 HB1 ALA 2 HB3 ALA 2 28.027 4.192 -4.611
10 HB2 ALA 2 HB1 ALA 2 27.028 5.146 -5.722
11 HB3 ALA 2 HB2 ALA 2 27.778 5.926 -4.312
12 H TYR 3 H TYR 3 26.296 6.296 -1.843
13 HA TYR 3 HA TYR 3 27.775 4.710 -0.008
14 HD1 TYR 3 HD2 TYR 3 26.849 5.346 3.054
15 HD2 TYR 3 HD1 TYR 3 29.342 7.983 0.700
16 HE1 TYR 3 HE2 TYR 3 28.642 5.218 4.772
17 HE2 TYR 3 HE1 TYR 3 31.101 7.845 2.394
18 HH TYR 3 HH TYR 3 31.809 6.752 4.305
19 HB2 TYR 3 HB2 TYR 3 27.266 7.323 -0.160
20 HB3 TYR 3 HB3 TYR 3 25.990 6.930 0.977
21 H ALA 4 H ALA 4 24.248 5.076 -0.449
22 HA ALA 4 HA ALA 4 23.398 3.782 1.959
23 HB1 ALA 4 HB3 ALA 4 21.284 3.441 0.701
24 HB2 ALA 4 HB1 ALA 4 21.883 5.103 0.543
25 HB3 ALA 4 HB2 ALA 4 22.082 3.952 -0.795
26 H GLN 5 H GLN 5 24.098 2.517 -1.322
27 HA GLN 5 HA GLN 5 23.713 -0.233 -0.597
28 HB2 GLN 5 HB2 GLN 5 23.835 0.970 -2.975
29 HB3 GLN 5 HB3 GLN 5 25.543 0.557 -2.848
30 HG2 GLN 5 HG2 GLN 5 24.624 -1.289 -3.954
31 HG3 GLN 5 HG3 GLN 5 24.693 -1.868 -2.288
32 HE21 GLN 5 HE22 GLN 5 22.791 -2.300 -4.848
33 HE22 GLN 5 HE21 GLN 5 21.221 -2.152 -4.057
34 H TRP 6 H TRP 6 26.643 1.838 -0.645
35 HA TRP 6 HA TRP 6 28.602 -0.097 -0.030
36 HD1 TRP 6 HD1 TRP 6 31.448 1.486 -0.857
37 HE1 TRP 6 HE1 TRP 6 33.446 1.040 0.643
38 HE3 TRP 6 HE3 TRP 6 29.255 2.522 3.641
39 HZ2 TRP 6 HZ2 TRP 6 34.098 1.375 3.447
40 HZ3 TRP 6 HZ3 TRP 6 30.643 2.621 5.701
41 HH2 TRP 6 HH2 TRP 6 33.056 2.058 5.615
42 HB2 TRP 6 HB2 TRP 6 29.002 2.338 -0.546
43 HB3 TRP 6 HB3 TRP 6 28.478 2.735 1.082
44 H LEU 7 H LEU 7 26.587 1.743 2.314
45 HA LEU 7 HA LEU 7 27.462 0.250 4.620
46 HG LEU 7 HG LEU 7 27.085 3.123 4.210
47 HB2 LEU 7 HB2 LEU 7 24.899 1.788 4.045
48 HB3 LEU 7 HB3 LEU 7 25.287 1.107 5.623
49 HD11 LEU 7 HD11 LEU 7 24.907 4.148 4.623
50 HD12 LEU 7 HD12 LEU 7 24.940 3.600 6.314
51 HD13 LEU 7 HD13 LEU 7 26.115 4.803 5.740
52 HD21 LEU 7 HD23 LEU 7 28.026 3.467 6.465
53 HD22 LEU 7 HD21 LEU 7 26.931 2.239 7.128
54 HD23 LEU 7 HD22 LEU 7 28.207 1.777 5.985
55 H LYS 8 H LYS 8 24.664 -0.281 2.435
56 HA LYS 8 HA LYS 8 23.488 -2.428 3.810
57 HB2 LYS 8 HB2 LYS 8 23.120 -1.114 1.322
58 HB3 LYS 8 HB3 LYS 8 23.309 -2.813 0.908
59 HG2 LYS 8 HG2 LYS 8 21.520 -3.345 2.628
60 HG3 LYS 8 HG3 LYS 8 21.341 -1.596 2.893
61 HD2 LYS 8 HD2 LYS 8 20.965 -1.450 0.318
62 HD3 LYS 8 HD3 LYS 8 20.741 -3.211 0.389
63 HE2 LYS 8 HE2 LYS 8 18.968 -2.777 2.188
64 HE3 LYS 8 HE3 LYS 8 19.173 -1.048 1.858
65 HZ1 LYS 8 HZ3 LYS 8 17.382 -1.774 0.529
66 HZ2 LYS 8 HZ1 LYS 8 18.649 -1.626 -0.514
67 HZ3 LYS 8 HZ2 LYS 8 18.179 -3.114 0.000
68 H ASP 9 H ASP 9 26.158 -2.651 1.468
69 HA ASP 9 HA ASP 9 26.359 -5.557 1.640
70 HB2 ASP 9 HB2 ASP 9 28.117 -3.359 0.513
71 HB3 ASP 9 HB3 ASP 9 28.651 -5.041 0.550
72 H GLY 10 H GLY 10 26.833 -3.540 4.176
73 HA2 GLY 10 HA2 GLY 10 27.777 -4.158 6.238
74 HA3 GLY 10 HA3 GLY 10 28.788 -5.368 5.448
75 H GLY 11 H GLY 11 28.697 -2.176 4.046
76 HA2 GLY 11 HA2 GLY 11 30.203 -0.504 3.790
77 HA3 GLY 11 HA3 GLY 11 30.482 -0.657 5.511
78 HA PRO 12 HA PRO 12 34.712 -1.573 4.165
79 HB2 PRO 12 HB2 PRO 12 34.911 -2.820 6.900
80 HB3 PRO 12 HB3 PRO 12 36.014 -1.655 6.106
81 HG2 PRO 12 HG2 PRO 12 34.281 -0.843 8.035
82 HG3 PRO 12 HG3 PRO 12 34.551 0.163 6.573
83 HD2 PRO 12 HD2 PRO 12 32.273 -1.745 7.148
84 HD3 PRO 12 HD3 PRO 12 32.228 -0.092 6.472
85 H SER 13 H SER 13 32.544 -4.002 5.553
86 HA SER 13 HA SER 13 33.969 -6.389 5.277
87 HG SER 13 HG SER 13 31.148 -5.088 6.505
88 HB2 SER 13 HB2 SER 13 31.021 -6.075 4.586
89 HB3 SER 13 HB3 SER 13 31.844 -7.510 5.216
90 H SER 14 H SER 14 32.169 -4.611 2.836
91 HA SER 14 HA SER 14 32.390 -6.366 0.630
92 HG SER 14 HG SER 14 31.370 -3.088 1.957
93 HB2 SER 14 HB2 SER 14 32.351 -3.502 0.025
94 HB3 SER 14 HB3 SER 14 31.168 -4.747 -0.386
95 H GLY 15 H GLY 15 34.800 -4.207 1.993
96 HA2 GLY 15 HA2 GLY 15 36.828 -3.452 1.317
97 HA3 GLY 15 HA3 GLY 15 36.838 -4.718 0.097
98 H ARG 16 H ARG 16 34.210 -2.977 -0.823
99 HA ARG 16 HA ARG 16 35.527 -1.566 -2.940
100 HE ARG 16 HE ARG 16 29.828 -2.676 -2.446
101 HB2 ARG 16 HB2 ARG 16 33.264 -0.375 -3.220
102 HB3 ARG 16 HB3 ARG 16 33.385 -2.088 -3.569
103 HG2 ARG 16 HG2 ARG 16 32.024 -2.728 -1.879
104 HG3 ARG 16 HG3 ARG 16 32.546 -1.428 -0.789
105 HD2 ARG 16 HD2 ARG 16 30.638 -0.449 -1.113
106 HD3 ARG 16 HD3 ARG 16 31.146 -0.059 -2.766
107 HH11 ARG 16 HH11 ARG 16 29.222 0.744 -2.880
108 HH12 ARG 16 HH12 ARG 16 27.572 0.498 -3.375
109 HH21 ARG 16 HH21 ARG 16 27.517 -2.814 -2.722
110 HH22 ARG 16 HH22 ARG 16 26.778 -1.547 -3.618
111 HA PRO 17 HA PRO 17 36.847 2.207 -0.886
112 HB2 PRO 17 HB2 PRO 17 36.328 3.349 -3.637
113 HB3 PRO 17 HB3 PRO 17 37.713 3.634 -2.540
114 HG2 PRO 17 HG2 PRO 17 37.948 1.911 -4.616
115 HG3 PRO 17 HG3 PRO 17 38.625 1.477 -3.012
116 HD2 PRO 17 HD2 PRO 17 36.022 0.576 -4.261
117 HD3 PRO 17 HD3 PRO 17 37.242 -0.372 -3.352
118 HA PRO 18 HA PRO 18 32.668 3.821 -0.147
119 HB2 PRO 18 HB2 PRO 18 33.314 5.866 1.635
120 HB3 PRO 18 HB3 PRO 18 33.053 4.158 2.068
121 HG2 PRO 18 HG2 PRO 18 35.660 5.597 1.577
122 HG3 PRO 18 HG3 PRO 18 35.271 4.393 2.848
123 HD2 PRO 18 HD2 PRO 18 36.648 3.745 0.590
124 HD3 PRO 18 HD3 PRO 18 35.493 2.598 1.337
125 HA PRO 19 HA PRO 19 32.861 7.279 -3.011
126 HB2 PRO 19 HB2 PRO 19 30.227 7.990 -3.119
127 HB3 PRO 19 HB3 PRO 19 30.852 6.479 -3.850
128 HG2 PRO 19 HG2 PRO 19 29.453 6.834 -1.202
129 HG3 PRO 19 HG3 PRO 19 29.201 5.559 -2.427
130 HD2 PRO 19 HD2 PRO 19 30.772 5.247 -0.171
131 HD3 PRO 19 HD3 PRO 19 31.040 4.347 -1.696
132 H SER 20 H SER 20 32.796 9.536 -2.956
133 HA SER 20 HA SER 20 32.849 10.817 -0.300
134 HG SER 20 HG SER 20 33.930 12.614 -0.312
135 HB2 SER 20 HB2 SER 20 34.613 11.132 -2.177
136 HB3 SER 20 HB3 SER 20 33.381 12.100 -3.015
Start of MODEL 9
1 HA ASP 1 HA ASP 1 23.864 7.999 -3.676
2 H1 ASP 1 H1 ASP 1 24.562 8.246 -5.934
3 H2 ASP 1 H2 ASP 1 23.274 7.383 -6.480
4 H3 ASP 1 H3 ASP 1 23.035 8.861 -5.771
5 HB2 ASP 1 HB2 ASP 1 21.413 7.972 -4.335
6 HB3 ASP 1 HB3 ASP 1 21.609 6.262 -4.736
7 H ALA 2 H ALA 2 25.246 6.613 -2.806
8 HA ALA 2 HA ALA 2 25.532 3.868 -3.819
9 HB1 ALA 2 HB3 ALA 2 27.979 4.043 -4.114
10 HB2 ALA 2 HB1 ALA 2 27.111 5.100 -5.241
11 HB3 ALA 2 HB2 ALA 2 27.900 5.795 -3.808
12 H TYR 3 H TYR 3 26.480 6.319 -1.361
13 HA TYR 3 HA TYR 3 27.742 4.641 0.454
14 HD1 TYR 3 HD1 TYR 3 26.658 5.300 3.558
15 HD2 TYR 3 HD2 TYR 3 29.425 7.720 1.286
16 HE1 TYR 3 HE1 TYR 3 28.368 5.077 5.355
17 HE2 TYR 3 HE2 TYR 3 31.107 7.477 3.051
18 HH TYR 3 HH TYR 3 31.666 6.296 4.976
19 HB2 TYR 3 HB2 TYR 3 27.317 7.254 0.379
20 HB3 TYR 3 HB3 TYR 3 25.984 6.874 1.454
21 H ALA 4 H ALA 4 24.215 5.076 -0.006
22 HA ALA 4 HA ALA 4 23.294 3.710 2.295
23 HB1 ALA 4 HB3 ALA 4 21.228 3.469 1.023
24 HB2 ALA 4 HB1 ALA 4 21.922 5.064 0.674
25 HB3 ALA 4 HB2 ALA 4 22.079 3.754 -0.508
26 H GLN 5 H GLN 5 24.110 2.453 -0.961
27 HA GLN 5 HA GLN 5 23.702 -0.313 -0.239
28 HB2 GLN 5 HB2 GLN 5 23.698 0.896 -2.613
29 HB3 GLN 5 HB3 GLN 5 25.429 0.555 -2.564
30 HG2 GLN 5 HG2 GLN 5 24.425 -1.286 -3.695
31 HG3 GLN 5 HG3 GLN 5 24.786 -1.901 -2.083
32 HE21 GLN 5 HE22 GLN 5 22.190 -1.123 -4.390
33 HE22 GLN 5 HE21 GLN 5 20.929 -1.691 -3.284
34 H TRP 6 H TRP 6 26.553 1.830 -0.313
35 HA TRP 6 HA TRP 6 28.590 -0.043 0.235
36 HD1 TRP 6 HD1 TRP 6 31.249 1.436 -0.634
37 HE1 TRP 6 HE1 TRP 6 33.335 1.011 0.753
38 HE3 TRP 6 HE3 TRP 6 29.304 2.514 3.960
39 HZ2 TRP 6 HZ2 TRP 6 34.151 1.482 3.498
40 HZ3 TRP 6 HZ3 TRP 6 30.793 2.623 5.948
41 HH2 TRP 6 HH2 TRP 6 33.214 2.124 5.728
42 HB2 TRP 6 HB2 TRP 6 28.861 2.436 -0.180
43 HB3 TRP 6 HB3 TRP 6 28.396 2.708 1.495
44 H LEU 7 H LEU 7 26.570 1.671 2.680
45 HA LEU 7 HA LEU 7 27.482 0.052 4.884
46 HG LEU 7 HG LEU 7 27.089 2.956 4.629
47 HB2 LEU 7 HB2 LEU 7 24.913 1.623 4.466
48 HB3 LEU 7 HB3 LEU 7 25.351 0.854 5.992
49 HD11 LEU 7 HD11 LEU 7 24.927 3.930 5.221
50 HD12 LEU 7 HD12 LEU 7 25.047 3.266 6.866
51 HD13 LEU 7 HD13 LEU 7 26.181 4.520 6.323
52 HD21 LEU 7 HD23 LEU 7 28.139 3.157 6.858
53 HD22 LEU 7 HD21 LEU 7 27.089 1.871 7.485
54 HD23 LEU 7 HD22 LEU 7 28.313 1.510 6.251
55 H LYS 8 H LYS 8 24.590 -0.342 2.771
56 HA LYS 8 HA LYS 8 23.513 -2.582 4.087
57 HB2 LYS 8 HB2 LYS 8 22.552 -1.144 2.119
58 HB3 LYS 8 HB3 LYS 8 23.435 -2.253 1.067
59 HG2 LYS 8 HG2 LYS 8 21.219 -3.099 1.200
60 HG3 LYS 8 HG3 LYS 8 22.190 -4.164 2.210
61 HD2 LYS 8 HD2 LYS 8 21.296 -2.125 3.979
62 HD3 LYS 8 HD3 LYS 8 19.925 -2.392 2.916
63 HE2 LYS 8 HE2 LYS 8 21.419 -4.548 4.482
64 HE3 LYS 8 HE3 LYS 8 19.907 -3.784 4.996
65 HZ1 LYS 8 HZ3 LYS 8 19.487 -5.887 3.904
66 HZ2 LYS 8 HZ1 LYS 8 18.860 -4.666 2.993
67 HZ3 LYS 8 HZ2 LYS 8 20.265 -5.392 2.541
68 H ASP 9 H ASP 9 25.993 -2.583 1.553
69 HA ASP 9 HA ASP 9 26.331 -5.479 1.598
70 HB2 ASP 9 HB2 ASP 9 27.894 -3.260 0.245
71 HB3 ASP 9 HB3 ASP 9 28.145 -4.983 -0.023
72 H GLY 10 H GLY 10 26.798 -4.145 4.191
73 HA2 GLY 10 HA2 GLY 10 28.117 -4.757 6.001
74 HA3 GLY 10 HA3 GLY 10 29.209 -5.617 4.917
75 H GLY 11 H GLY 11 28.477 -2.209 4.377
76 HA2 GLY 11 HA2 GLY 11 29.777 -0.324 4.420
77 HA3 GLY 11 HA3 GLY 11 30.534 -0.945 5.881
78 HA PRO 12 HA PRO 12 33.987 -1.166 2.949
79 HB2 PRO 12 HB2 PRO 12 36.036 -1.781 4.645
80 HB3 PRO 12 HB3 PRO 12 35.272 -0.171 4.589
81 HG2 PRO 12 HG2 PRO 12 34.771 -2.403 6.561
82 HG3 PRO 12 HG3 PRO 12 34.952 -0.647 6.874
83 HD2 PRO 12 HD2 PRO 12 32.515 -1.959 6.656
84 HD3 PRO 12 HD3 PRO 12 32.739 -0.226 6.296
85 H SER 13 H SER 13 32.719 -3.879 4.796
86 HA SER 13 HA SER 13 34.630 -5.862 4.191
87 HG SER 13 HG SER 13 33.829 -6.576 6.364
88 HB2 SER 13 HB2 SER 13 31.628 -6.096 4.621
89 HB3 SER 13 HB3 SER 13 32.750 -7.467 4.594
90 H SER 14 H SER 14 32.203 -4.502 2.021
91 HA SER 14 HA SER 14 32.293 -6.683 0.110
92 HG SER 14 HG SER 14 30.096 -4.345 1.279
93 HB2 SER 14 HB2 SER 14 31.336 -4.477 -1.256
94 HB3 SER 14 HB3 SER 14 30.379 -5.678 -0.402
95 H GLY 15 H GLY 15 34.715 -4.460 0.885
96 HA2 GLY 15 HA2 GLY 15 36.773 -4.250 -0.156
97 HA3 GLY 15 HA3 GLY 15 36.193 -5.243 -1.491
98 H ARG 16 H ARG 16 34.155 -2.605 -0.955
99 HA ARG 16 HA ARG 16 35.277 -1.089 -3.256
100 HE ARG 16 HE ARG 16 30.489 -1.331 -4.163
101 HB2 ARG 16 HB2 ARG 16 33.024 0.074 -3.211
102 HB3 ARG 16 HB3 ARG 16 33.074 -1.594 -3.775
103 HG2 ARG 16 HG2 ARG 16 31.987 -2.442 -1.875
104 HG3 ARG 16 HG3 ARG 16 32.411 -1.060 -0.875
105 HD2 ARG 16 HD2 ARG 16 30.167 -0.779 -1.227
106 HD3 ARG 16 HD3 ARG 16 30.897 0.361 -2.355
107 HH11 ARG 16 HH11 ARG 16 28.485 -1.572 -1.266
108 HH12 ARG 16 HH12 ARG 16 27.367 -2.576 -2.131
109 HH21 ARG 16 HH21 ARG 16 28.658 -2.257 -5.212
110 HH22 ARG 16 HH22 ARG 16 27.320 -2.730 -4.181
111 HA PRO 17 HA PRO 17 36.755 2.019 -0.337
112 HB2 PRO 17 HB2 PRO 17 36.488 3.752 -2.802
113 HB3 PRO 17 HB3 PRO 17 37.823 3.691 -1.609
114 HG2 PRO 17 HG2 PRO 17 38.073 2.442 -4.000
115 HG3 PRO 17 HG3 PRO 17 38.624 1.624 -2.501
116 HD2 PRO 17 HD2 PRO 17 36.045 1.211 -4.028
117 HD3 PRO 17 HD3 PRO 17 37.147 -0.003 -3.305
118 HA PRO 18 HA PRO 18 32.777 3.915 0.646
119 HB2 PRO 18 HB2 PRO 18 33.620 5.926 2.386
120 HB3 PRO 18 HB3 PRO 18 33.312 4.230 2.825
121 HG2 PRO 18 HG2 PRO 18 35.940 5.568 2.194
122 HG3 PRO 18 HG3 PRO 18 35.584 4.349 3.459
123 HD2 PRO 18 HD2 PRO 18 36.795 3.711 1.100
124 HD3 PRO 18 HD3 PRO 18 35.662 2.584 1.904
125 HA PRO 19 HA PRO 19 33.019 7.412 -2.224
126 HB2 PRO 19 HB2 PRO 19 30.361 7.976 -2.485
127 HB3 PRO 19 HB3 PRO 19 31.122 6.533 -3.222
128 HG2 PRO 19 HG2 PRO 19 29.515 6.701 -0.677
129 HG3 PRO 19 HG3 PRO 19 29.437 5.460 -1.958
130 HD2 PRO 19 HD2 PRO 19 30.866 5.182 0.407
131 HD3 PRO 19 HD3 PRO 19 31.278 4.327 -1.110
132 H SER 20 H SER 20 32.655 9.734 -2.126
133 HA SER 20 HA SER 20 31.901 10.938 0.468
134 HG SER 20 HG SER 20 33.723 13.137 0.405
135 HB2 SER 20 HB2 SER 20 34.394 10.379 0.397
136 HB3 SER 20 HB3 SER 20 34.528 11.504 -0.969
Start of MODEL 10
1 HA ASP 1 HA ASP 1 23.791 8.033 -4.316
2 H1 ASP 1 H1 ASP 1 21.657 7.178 -4.819
3 H2 ASP 1 H2 ASP 1 21.292 6.954 -3.220
4 H3 ASP 1 H3 ASP 1 21.487 8.490 -3.807
5 HB2 ASP 1 HB2 ASP 1 22.738 7.973 -1.478
6 HB3 ASP 1 HB3 ASP 1 24.470 8.095 -1.851
7 H ALA 2 H ALA 2 25.520 6.714 -4.324
8 HA ALA 2 HA ALA 2 25.207 3.882 -4.191
9 HB1 ALA 2 HB3 ALA 2 27.662 3.928 -4.562
10 HB2 ALA 2 HB1 ALA 2 26.809 5.035 -5.653
11 HB3 ALA 2 HB2 ALA 2 27.675 5.678 -4.245
12 H TYR 3 H TYR 3 26.138 6.249 -1.721
13 HA TYR 3 HA TYR 3 27.503 4.573 0.073
14 HD1 TYR 3 HD2 TYR 3 26.435 5.164 3.197
15 HD2 TYR 3 HD1 TYR 3 29.072 7.674 0.889
16 HE1 TYR 3 HE2 TYR 3 28.104 5.145 5.051
17 HE2 TYR 3 HE1 TYR 3 30.720 7.658 2.723
18 HH TYR 3 HH TYR 3 31.038 7.109 4.967
19 HB2 TYR 3 HB2 TYR 3 26.988 7.178 0.032
20 HB3 TYR 3 HB3 TYR 3 25.682 6.735 1.113
21 H ALA 4 H ALA 4 24.008 4.962 -0.413
22 HA ALA 4 HA ALA 4 23.087 3.504 1.875
23 HB1 ALA 4 HB3 ALA 4 20.990 3.339 0.573
24 HB2 ALA 4 HB1 ALA 4 21.653 4.985 0.507
25 HB3 ALA 4 HB2 ALA 4 21.839 3.891 -0.886
26 H GLN 5 H GLN 5 24.328 2.452 -1.274
27 HA GLN 5 HA GLN 5 23.622 -0.366 -0.807
28 HB2 GLN 5 HB2 GLN 5 23.795 0.932 -3.096
29 HB3 GLN 5 HB3 GLN 5 25.521 0.631 -2.948
30 HG2 GLN 5 HG2 GLN 5 25.246 -1.489 -3.684
31 HG3 GLN 5 HG3 GLN 5 24.107 -1.858 -2.397
32 HE21 GLN 5 HE22 GLN 5 21.738 -1.465 -2.821
33 HE22 GLN 5 HE21 GLN 5 21.269 -1.336 -4.526
34 H TRP 6 H TRP 6 26.536 1.732 -0.816
35 HA TRP 6 HA TRP 6 28.528 -0.086 -0.162
36 HD1 TRP 6 HD1 TRP 6 31.156 1.265 -0.907
37 HE1 TRP 6 HE1 TRP 6 33.213 0.996 0.588
38 HE3 TRP 6 HE3 TRP 6 29.085 2.740 3.529
39 HZ2 TRP 6 HZ2 TRP 6 33.933 1.627 3.315
40 HZ3 TRP 6 HZ3 TRP 6 30.506 2.983 5.553
41 HH2 TRP 6 HH2 TRP 6 32.928 2.447 5.456
42 HB2 TRP 6 HB2 TRP 6 28.779 2.381 -0.591
43 HB3 TRP 6 HB3 TRP 6 28.236 2.684 1.057
44 H LEU 7 H LEU 7 26.465 1.586 2.278
45 HA LEU 7 HA LEU 7 27.422 0.062 4.521
46 HG LEU 7 HG LEU 7 26.871 2.934 4.241
47 HB2 LEU 7 HB2 LEU 7 24.788 1.488 4.009
48 HB3 LEU 7 HB3 LEU 7 25.199 0.753 5.558
49 HD11 LEU 7 HD11 LEU 7 24.643 3.786 4.801
50 HD12 LEU 7 HD12 LEU 7 24.780 3.126 6.447
51 HD13 LEU 7 HD13 LEU 7 25.850 4.441 5.919
52 HD21 LEU 7 HD23 LEU 7 27.833 3.183 6.524
53 HD22 LEU 7 HD21 LEU 7 26.879 1.792 7.074
54 HD23 LEU 7 HD22 LEU 7 28.162 1.582 5.864
55 H LYS 8 H LYS 8 24.874 -0.670 2.191
56 HA LYS 8 HA LYS 8 23.666 -2.887 3.535
57 HB2 LYS 8 HB2 LYS 8 23.064 -1.387 1.378
58 HB3 LYS 8 HB3 LYS 8 23.764 -2.745 0.518
59 HG2 LYS 8 HG2 LYS 8 22.093 -4.229 1.273
60 HG3 LYS 8 HG3 LYS 8 21.619 -3.191 2.624
61 HD2 LYS 8 HD2 LYS 8 21.234 -2.337 -0.276
62 HD3 LYS 8 HD3 LYS 8 20.025 -3.263 0.631
63 HE2 LYS 8 HE2 LYS 8 20.096 -1.473 2.422
64 HE3 LYS 8 HE3 LYS 8 21.111 -0.498 1.351
65 HZ1 LYS 8 HZ3 LYS 8 18.749 0.061 1.188
66 HZ2 LYS 8 HZ1 LYS 8 19.309 -0.492 -0.254
67 HZ3 LYS 8 HZ2 LYS 8 18.384 -1.463 0.699
68 H ASP 9 H ASP 9 26.327 -2.725 1.192
69 HA ASP 9 HA ASP 9 26.998 -5.561 1.306
70 HB2 ASP 9 HB2 ASP 9 28.431 -3.106 0.230
71 HB3 ASP 9 HB3 ASP 9 29.029 -4.748 0.049
72 H GLY 10 H GLY 10 26.906 -4.236 3.959
73 HA2 GLY 10 HA2 GLY 10 27.983 -4.496 5.975
74 HA3 GLY 10 HA3 GLY 10 29.250 -5.416 5.161
75 H GLY 11 H GLY 11 28.432 -2.132 4.207
76 HA2 GLY 11 HA2 GLY 11 29.670 -0.205 4.074
77 HA3 GLY 11 HA3 GLY 11 30.209 -0.542 5.712
78 HA PRO 12 HA PRO 12 34.079 -0.925 3.409
79 HB2 PRO 12 HB2 PRO 12 35.865 -1.107 5.456
80 HB3 PRO 12 HB3 PRO 12 34.992 0.403 5.069
81 HG2 PRO 12 HG2 PRO 12 34.357 -1.615 7.228
82 HG3 PRO 12 HG3 PRO 12 34.364 0.174 7.333
83 HD2 PRO 12 HD2 PRO 12 32.089 -1.368 6.924
84 HD3 PRO 12 HD3 PRO 12 32.245 0.326 6.388
85 H SER 13 H SER 13 32.607 -3.428 5.282
86 HA SER 13 HA SER 13 34.614 -5.353 5.553
87 HG SER 13 HG SER 13 33.609 -7.346 6.391
88 HB2 SER 13 HB2 SER 13 32.305 -5.441 6.515
89 HB3 SER 13 HB3 SER 13 31.681 -5.863 4.909
90 H SER 14 H SER 14 32.592 -4.754 2.699
91 HA SER 14 HA SER 14 33.611 -6.982 1.146
92 HG SER 14 HG SER 14 30.629 -5.649 1.468
93 HB2 SER 14 HB2 SER 14 32.131 -4.458 0.337
94 HB3 SER 14 HB3 SER 14 32.437 -5.854 -0.717
95 H GLY 15 H GLY 15 35.192 -4.034 1.930
96 HA2 GLY 15 HA2 GLY 15 37.218 -3.243 1.208
97 HA3 GLY 15 HA3 GLY 15 37.268 -4.486 -0.037
98 H ARG 16 H ARG 16 34.471 -3.141 -0.823
99 HA ARG 16 HA ARG 16 35.363 -1.503 -2.972
100 HE ARG 16 HE ARG 16 30.187 -1.668 -3.069
101 HB2 ARG 16 HB2 ARG 16 33.010 -0.794 -3.205
102 HB3 ARG 16 HB3 ARG 16 33.263 -2.528 -3.145
103 HG2 ARG 16 HG2 ARG 16 32.718 -1.888 -0.458
104 HG3 ARG 16 HG3 ARG 16 31.685 -0.784 -1.354
105 HD2 ARG 16 HD2 ARG 16 31.822 -3.776 -1.839
106 HD3 ARG 16 HD3 ARG 16 30.660 -2.998 -0.749
107 HH11 ARG 16 HH11 ARG 16 30.333 -5.069 -2.370
108 HH12 ARG 16 HH12 ARG 16 28.678 -5.251 -2.793
109 HH21 ARG 16 HH21 ARG 16 28.352 -2.209 -4.314
110 HH22 ARG 16 HH22 ARG 16 27.894 -3.888 -4.379
111 HA PRO 17 HA PRO 17 36.599 2.118 -0.646
112 HB2 PRO 17 HB2 PRO 17 36.194 3.474 -3.318
113 HB3 PRO 17 HB3 PRO 17 37.551 3.644 -2.161
114 HG2 PRO 17 HG2 PRO 17 37.820 2.083 -4.359
115 HG3 PRO 17 HG3 PRO 17 38.440 1.514 -2.775
116 HD2 PRO 17 HD2 PRO 17 35.860 0.762 -4.162
117 HD3 PRO 17 HD3 PRO 17 37.044 -0.275 -3.304
118 HA PRO 18 HA PRO 18 32.530 3.888 0.158
119 HB2 PRO 18 HB2 PRO 18 33.243 6.021 1.796
120 HB3 PRO 18 HB3 PRO 18 33.032 4.335 2.320
121 HG2 PRO 18 HG2 PRO 18 35.587 5.779 1.616
122 HG3 PRO 18 HG3 PRO 18 35.286 4.637 2.965
123 HD2 PRO 18 HD2 PRO 18 36.543 3.886 0.667
124 HD3 PRO 18 HD3 PRO 18 35.447 2.770 1.538
125 HA PRO 19 HA PRO 19 32.625 7.183 -2.943
126 HB2 PRO 19 HB2 PRO 19 29.953 7.619 -3.229
127 HB3 PRO 19 HB3 PRO 19 30.755 6.139 -3.837
128 HG2 PRO 19 HG2 PRO 19 29.184 6.486 -1.274
129 HG3 PRO 19 HG3 PRO 19 29.106 5.143 -2.454
130 HD2 PRO 19 HD2 PRO 19 30.587 5.062 -0.127
131 HD3 PRO 19 HD3 PRO 19 31.017 4.140 -1.600
132 H SER 20 H SER 20 33.097 9.315 -2.530
133 HA SER 20 HA SER 20 31.517 10.916 -0.707
134 HG SER 20 HG SER 20 34.600 9.571 -0.862
135 HB2 SER 20 HB2 SER 20 33.563 11.802 0.468
136 HB3 SER 20 HB3 SER 20 33.069 10.166 0.945
Start of MODEL 11
1 HA ASP 1 HA ASP 1 23.694 8.797 -3.506
2 H1 ASP 1 H1 ASP 1 26.061 8.978 -3.726
3 H2 ASP 1 H2 ASP 1 25.979 8.572 -5.348
4 H3 ASP 1 H3 ASP 1 25.363 9.965 -4.853
5 HB2 ASP 1 HB2 ASP 1 22.335 8.171 -5.566
6 HB3 ASP 1 HB3 ASP 1 23.007 9.793 -5.499
7 H ALA 2 H ALA 2 26.199 6.785 -3.635
8 HA ALA 2 HA ALA 2 24.574 4.300 -3.858
9 HB1 ALA 2 HB3 ALA 2 26.681 3.253 -4.569
10 HB2 ALA 2 HB1 ALA 2 26.191 4.583 -5.630
11 HB3 ALA 2 HB2 ALA 2 27.501 4.829 -4.464
12 H TYR 3 H TYR 3 25.415 6.160 -1.414
13 HA TYR 3 HA TYR 3 27.107 4.620 0.258
14 HD1 TYR 3 HD2 TYR 3 28.718 6.396 1.362
15 HD2 TYR 3 HD1 TYR 3 25.026 6.103 3.586
16 HE1 TYR 3 HE2 TYR 3 30.005 6.232 3.493
17 HE2 TYR 3 HE1 TYR 3 26.329 6.025 5.713
18 HH TYR 3 HH TYR 3 28.899 6.864 6.381
19 HB2 TYR 3 HB2 TYR 3 26.461 7.092 0.415
20 HB3 TYR 3 HB3 TYR 3 24.981 6.567 1.210
21 H ALA 4 H ALA 4 23.534 4.578 -0.015
22 HA ALA 4 HA ALA 4 22.990 2.860 2.183
23 HB1 ALA 4 HB3 ALA 4 20.857 2.502 1.115
24 HB2 ALA 4 HB1 ALA 4 21.320 4.185 0.812
25 HB3 ALA 4 HB2 ALA 4 21.492 2.971 -0.475
26 H GLN 5 H GLN 5 23.768 2.091 -1.227
27 HA GLN 5 HA GLN 5 23.705 -0.765 -0.913
28 HB2 GLN 5 HB2 GLN 5 23.646 0.694 -3.100
29 HB3 GLN 5 HB3 GLN 5 25.408 0.666 -2.956
30 HG2 GLN 5 HG2 GLN 5 25.010 -1.977 -2.666
31 HG3 GLN 5 HG3 GLN 5 23.469 -1.610 -3.439
32 HE21 GLN 5 HE22 GLN 5 26.742 -2.431 -4.025
33 HE22 GLN 5 HE21 GLN 5 26.738 -1.852 -5.705
34 H TRP 6 H TRP 6 26.297 1.698 -0.536
35 HA TRP 6 HA TRP 6 28.474 -0.124 -0.113
36 HD1 TRP 6 HD1 TRP 6 31.064 1.006 -0.677
37 HE1 TRP 6 HE1 TRP 6 33.098 1.009 0.863
38 HE3 TRP 6 HE3 TRP 6 28.824 2.840 3.547
39 HZ2 TRP 6 HZ2 TRP 6 33.707 1.862 3.559
40 HZ3 TRP 6 HZ3 TRP 6 30.163 3.246 5.594
41 HH2 TRP 6 HH2 TRP 6 32.603 2.779 5.612
42 HB2 TRP 6 HB2 TRP 6 28.679 2.318 -0.511
43 HB3 TRP 6 HB3 TRP 6 28.074 2.613 1.114
44 H LEU 7 H LEU 7 26.281 1.365 2.306
45 HA LEU 7 HA LEU 7 27.250 -0.131 4.537
46 HG LEU 7 HG LEU 7 26.402 2.717 4.117
47 HB2 LEU 7 HB2 LEU 7 24.491 1.012 3.978
48 HB3 LEU 7 HB3 LEU 7 25.016 0.402 5.546
49 HD11 LEU 7 HD11 LEU 7 24.145 3.392 4.547
50 HD12 LEU 7 HD12 LEU 7 24.159 2.665 6.173
51 HD13 LEU 7 HD13 LEU 7 25.141 4.096 5.830
52 HD21 LEU 7 HD23 LEU 7 27.362 3.209 6.292
53 HD22 LEU 7 HD21 LEU 7 26.501 1.840 7.032
54 HD23 LEU 7 HD22 LEU 7 27.790 1.559 5.839
55 H LYS 8 H LYS 8 24.563 -0.952 2.293
56 HA LYS 8 HA LYS 8 23.709 -3.373 3.451
57 HB2 LYS 8 HB2 LYS 8 23.815 -2.289 0.646
58 HB3 LYS 8 HB3 LYS 8 23.448 -3.980 0.825
59 HG2 LYS 8 HG2 LYS 8 21.819 -2.275 2.642
60 HG3 LYS 8 HG3 LYS 8 21.637 -1.873 0.936
61 HD2 LYS 8 HD2 LYS 8 19.964 -3.510 1.356
62 HD3 LYS 8 HD3 LYS 8 21.226 -4.312 0.439
63 HE2 LYS 8 HE2 LYS 8 20.883 -5.909 2.050
64 HE3 LYS 8 HE3 LYS 8 22.167 -4.983 2.833
65 HZ1 LYS 8 HZ3 LYS 8 20.342 -5.380 4.352
66 HZ2 LYS 8 HZ1 LYS 8 20.398 -3.766 4.028
67 HZ3 LYS 8 HZ2 LYS 8 19.254 -4.709 3.319
68 H ASP 9 H ASP 9 26.556 -2.934 1.389
69 HA ASP 9 HA ASP 9 27.256 -5.791 1.437
70 HB2 ASP 9 HB2 ASP 9 28.425 -3.281 0.216
71 HB3 ASP 9 HB3 ASP 9 29.300 -4.799 0.176
72 H GLY 10 H GLY 10 27.133 -4.295 4.050
73 HA2 GLY 10 HA2 GLY 10 28.243 -4.570 6.067
74 HA3 GLY 10 HA3 GLY 10 29.548 -5.421 5.237
75 H GLY 11 H GLY 11 28.541 -2.237 4.170
76 HA2 GLY 11 HA2 GLY 11 29.660 -0.249 3.958
77 HA3 GLY 11 HA3 GLY 11 30.175 -0.473 5.622
78 HA PRO 12 HA PRO 12 34.142 -0.723 3.477
79 HB2 PRO 12 HB2 PRO 12 35.854 -0.762 5.600
80 HB3 PRO 12 HB3 PRO 12 34.929 0.685 5.121
81 HG2 PRO 12 HG2 PRO 12 34.327 -1.249 7.354
82 HG3 PRO 12 HG3 PRO 12 34.196 0.538 7.342
83 HD2 PRO 12 HD2 PRO 12 32.077 -1.234 6.927
84 HD3 PRO 12 HD3 PRO 12 32.095 0.461 6.376
85 H SER 13 H SER 13 32.704 -3.270 5.308
86 HA SER 13 HA SER 13 34.840 -5.113 5.553
87 HG SER 13 HG SER 13 33.470 -7.523 5.194
88 HB2 SER 13 HB2 SER 13 32.588 -5.246 6.659
89 HB3 SER 13 HB3 SER 13 31.905 -5.771 5.107
90 H SER 14 H SER 14 32.703 -4.522 2.763
91 HA SER 14 HA SER 14 33.674 -6.835 1.273
92 HG SER 14 HG SER 14 30.695 -5.828 1.616
93 HB2 SER 14 HB2 SER 14 31.963 -4.454 0.499
94 HB3 SER 14 HB3 SER 14 32.407 -5.762 -0.620
95 H GLY 15 H GLY 15 35.391 -4.069 2.015
96 HA2 GLY 15 HA2 GLY 15 37.444 -3.399 1.218
97 HA3 GLY 15 HA3 GLY 15 37.366 -4.683 0.012
98 H ARG 16 H ARG 16 34.758 -2.476 -0.066
99 HA ARG 16 HA ARG 16 35.762 -1.212 -2.559
100 HE ARG 16 HE ARG 16 31.111 -0.489 -3.134
101 HB2 ARG 16 HB2 ARG 16 33.331 -0.590 -2.897
102 HB3 ARG 16 HB3 ARG 16 33.797 -2.278 -3.074
103 HG2 ARG 16 HG2 ARG 16 32.916 -2.767 -0.794
104 HG3 ARG 16 HG3 ARG 16 32.357 -1.100 -0.652
105 HD2 ARG 16 HD2 ARG 16 31.504 -3.050 -2.844
106 HD3 ARG 16 HD3 ARG 16 30.643 -2.818 -1.321
107 HH11 ARG 16 HH11 ARG 16 28.666 -2.734 -1.852
108 HH12 ARG 16 HH12 ARG 16 27.454 -1.594 -1.742
109 HH21 ARG 16 HH21 ARG 16 29.327 0.887 -3.470
110 HH22 ARG 16 HH22 ARG 16 27.756 0.327 -2.973
111 HA PRO 17 HA PRO 17 36.451 2.519 -0.151
112 HB2 PRO 17 HB2 PRO 17 36.230 3.784 -2.887
113 HB3 PRO 17 HB3 PRO 17 37.431 4.094 -1.596
114 HG2 PRO 17 HG2 PRO 17 38.071 2.533 -3.719
115 HG3 PRO 17 HG3 PRO 17 38.579 2.057 -2.066
116 HD2 PRO 17 HD2 PRO 17 36.245 1.025 -3.687
117 HD3 PRO 17 HD3 PRO 17 37.419 0.126 -2.674
118 HA PRO 18 HA PRO 18 32.183 3.882 0.174
119 HB2 PRO 18 HB2 PRO 18 32.514 6.208 1.682
120 HB3 PRO 18 HB3 PRO 18 32.433 4.549 2.325
121 HG2 PRO 18 HG2 PRO 18 34.878 6.209 1.705
122 HG3 PRO 18 HG3 PRO 18 34.577 5.150 3.122
123 HD2 PRO 18 HD2 PRO 18 36.106 4.353 1.022
124 HD3 PRO 18 HD3 PRO 18 35.027 3.201 1.868
125 HA PRO 19 HA PRO 19 32.083 6.968 -3.114
126 HB2 PRO 19 HB2 PRO 19 29.419 7.058 -3.610
127 HB3 PRO 19 HB3 PRO 19 30.410 5.616 -3.986
128 HG2 PRO 19 HG2 PRO 19 28.631 6.075 -1.574
129 HG3 PRO 19 HG3 PRO 19 28.771 4.609 -2.591
130 HD2 PRO 19 HD2 PRO 19 30.099 4.950 -0.192
131 HD3 PRO 19 HD3 PRO 19 30.698 3.913 -1.523
132 H SER 20 H SER 20 32.553 9.005 -2.608
133 HA SER 20 HA SER 20 30.962 10.668 -0.730
134 HG SER 20 HG SER 20 32.781 11.295 0.477
135 HB2 SER 20 HB2 SER 20 33.587 11.008 -2.237
136 HB3 SER 20 HB3 SER 20 32.743 12.398 -1.536
Start of MODEL 12
1 HA ASP 1 HA ASP 1 22.099 7.915 -2.806
2 H1 ASP 1 H1 ASP 1 21.516 7.750 -5.100
3 H2 ASP 1 H2 ASP 1 20.276 6.717 -4.771
4 H3 ASP 1 H3 ASP 1 20.203 8.286 -4.255
5 HB2 ASP 1 HB2 ASP 1 19.650 7.603 -2.119
6 HB3 ASP 1 HB3 ASP 1 19.946 5.869 -2.205
7 H ALA 2 H ALA 2 24.025 6.970 -3.137
8 HA ALA 2 HA ALA 2 24.139 4.090 -3.931
9 HB1 ALA 2 HB3 ALA 2 26.392 4.625 -4.725
10 HB2 ALA 2 HB1 ALA 2 25.201 5.708 -5.469
11 HB3 ALA 2 HB2 ALA 2 26.232 6.297 -4.143
12 H TYR 3 H TYR 3 25.091 6.402 -1.411
13 HA TYR 3 HA TYR 3 27.049 4.773 -0.126
14 HD1 TYR 3 HD2 TYR 3 28.992 6.825 0.640
15 HD2 TYR 3 HD1 TYR 3 25.821 6.031 3.457
16 HE1 TYR 3 HE2 TYR 3 30.675 6.509 2.442
17 HE2 TYR 3 HE1 TYR 3 27.502 5.807 5.270
18 HH TYR 3 HH TYR 3 29.722 5.809 5.809
19 HB2 TYR 3 HB2 TYR 3 26.638 7.292 0.096
20 HB3 TYR 3 HB3 TYR 3 25.324 6.893 1.197
21 H ALA 4 H ALA 4 23.458 4.998 0.263
22 HA ALA 4 HA ALA 4 23.167 3.229 2.437
23 HB1 ALA 4 HB3 ALA 4 20.946 2.764 1.427
24 HB2 ALA 4 HB1 ALA 4 21.326 4.497 1.434
25 HB3 ALA 4 HB2 ALA 4 21.465 3.568 -0.073
26 H GLN 5 H GLN 5 23.666 2.409 -1.053
27 HA GLN 5 HA GLN 5 23.421 -0.431 -0.603
28 HB2 GLN 5 HB2 GLN 5 23.250 0.900 -2.875
29 HB3 GLN 5 HB3 GLN 5 25.009 0.710 -2.905
30 HG2 GLN 5 HG2 GLN 5 24.260 -1.863 -2.253
31 HG3 GLN 5 HG3 GLN 5 22.830 -1.342 -3.136
32 HE21 GLN 5 HE22 GLN 5 25.993 -2.757 -3.469
33 HE22 GLN 5 HE21 GLN 5 25.983 -2.497 -5.229
34 H TRP 6 H TRP 6 26.230 1.792 -0.824
35 HA TRP 6 HA TRP 6 28.297 -0.126 -0.573
36 HD1 TRP 6 HD1 TRP 6 30.963 0.863 -1.385
37 HE1 TRP 6 HE1 TRP 6 33.167 0.841 -0.005
38 HE3 TRP 6 HE3 TRP 6 29.244 2.987 2.942
39 HZ2 TRP 6 HZ2 TRP 6 33.995 1.511 2.627
40 HZ3 TRP 6 HZ3 TRP 6 30.780 3.306 4.869
41 HH2 TRP 6 HH2 TRP 6 33.148 2.588 4.724
42 HB2 TRP 6 HB2 TRP 6 28.658 2.274 -1.060
43 HB3 TRP 6 HB3 TRP 6 28.221 2.681 0.594
44 H LEU 7 H LEU 7 26.509 1.513 2.098
45 HA LEU 7 HA LEU 7 27.714 -0.113 4.171
46 HG LEU 7 HG LEU 7 27.142 2.884 4.147
47 HB2 LEU 7 HB2 LEU 7 25.099 1.437 4.047
48 HB3 LEU 7 HB3 LEU 7 25.652 0.581 5.486
49 HD11 LEU 7 HD11 LEU 7 25.087 3.619 5.235
50 HD12 LEU 7 HD12 LEU 7 25.482 2.689 6.700
51 HD13 LEU 7 HD13 LEU 7 26.466 4.086 6.245
52 HD21 LEU 7 HD23 LEU 7 28.503 2.863 6.255
53 HD22 LEU 7 HD21 LEU 7 27.720 1.337 6.717
54 HD23 LEU 7 HD22 LEU 7 28.757 1.422 5.275
55 H LYS 8 H LYS 8 24.708 -0.600 2.260
56 HA LYS 8 HA LYS 8 23.749 -2.905 3.555
57 HB2 LYS 8 HB2 LYS 8 22.839 -1.469 1.502
58 HB3 LYS 8 HB3 LYS 8 23.652 -2.706 0.542
59 HG2 LYS 8 HG2 LYS 8 22.271 -4.404 1.986
60 HG3 LYS 8 HG3 LYS 8 21.356 -2.973 2.501
61 HD2 LYS 8 HD2 LYS 8 21.226 -2.502 -0.124
62 HD3 LYS 8 HD3 LYS 8 21.594 -4.235 -0.240
63 HE2 LYS 8 HE2 LYS 8 19.622 -4.680 1.273
64 HE3 LYS 8 HE3 LYS 8 19.274 -2.944 1.265
65 HZ1 LYS 8 HZ3 LYS 8 17.946 -4.067 -0.389
66 HZ2 LYS 8 HZ1 LYS 8 19.023 -3.088 -1.154
67 HZ3 LYS 8 HZ2 LYS 8 19.278 -4.710 -1.110
68 H ASP 9 H ASP 9 26.165 -2.747 0.947
69 HA ASP 9 HA ASP 9 26.728 -5.595 0.843
70 HB2 ASP 9 HB2 ASP 9 28.182 -3.096 -0.108
71 HB3 ASP 9 HB3 ASP 9 28.876 -4.698 -0.298
72 H GLY 10 H GLY 10 27.418 -3.451 3.398
73 HA2 GLY 10 HA2 GLY 10 28.491 -4.239 5.364
74 HA3 GLY 10 HA3 GLY 10 29.626 -5.183 4.409
75 H GLY 11 H GLY 11 29.389 -2.118 2.973
76 HA2 GLY 11 HA2 GLY 11 30.886 -0.476 2.691
77 HA3 GLY 11 HA3 GLY 11 30.707 -0.232 4.419
78 HA PRO 12 HA PRO 12 35.184 -0.892 4.448
79 HB2 PRO 12 HB2 PRO 12 34.748 -1.723 7.309
80 HB3 PRO 12 HB3 PRO 12 35.930 -0.559 6.634
81 HG2 PRO 12 HG2 PRO 12 33.700 0.321 7.908
82 HG3 PRO 12 HG3 PRO 12 34.263 1.123 6.405
83 HD2 PRO 12 HD2 PRO 12 32.075 -0.952 6.719
84 HD3 PRO 12 HD3 PRO 12 32.055 0.580 5.800
85 H SER 13 H SER 13 32.933 -3.386 5.750
86 HA SER 13 HA SER 13 34.835 -5.548 5.799
87 HG SER 13 HG SER 13 33.433 -5.838 7.820
88 HB2 SER 13 HB2 SER 13 31.803 -5.608 5.497
89 HB3 SER 13 HB3 SER 13 32.835 -6.978 5.936
90 H SER 14 H SER 14 32.832 -4.150 3.187
91 HA SER 14 HA SER 14 33.115 -6.410 1.406
92 HG SER 14 HG SER 14 30.437 -4.980 1.751
93 HB2 SER 14 HB2 SER 14 32.540 -3.651 0.392
94 HB3 SER 14 HB3 SER 14 31.772 -5.186 -0.034
95 H GLY 15 H GLY 15 35.190 -3.779 2.254
96 HA2 GLY 15 HA2 GLY 15 37.255 -3.112 1.493
97 HA3 GLY 15 HA3 GLY 15 37.281 -4.525 0.439
98 H ARG 16 H ARG 16 34.565 -2.631 -0.254
99 HA ARG 16 HA ARG 16 35.660 -1.738 -2.817
100 HE ARG 16 HE ARG 16 30.726 -1.877 -3.572
101 HB2 ARG 16 HB2 ARG 16 33.448 -2.696 -2.731
102 HB3 ARG 16 HB3 ARG 16 32.909 -1.530 -1.529
103 HG2 ARG 16 HG2 ARG 16 32.296 -0.042 -3.105
104 HG3 ARG 16 HG3 ARG 16 33.864 -0.091 -3.882
105 HD2 ARG 16 HD2 ARG 16 32.261 -0.715 -5.508
106 HD3 ARG 16 HD3 ARG 16 33.224 -2.144 -5.100
107 HH11 ARG 16 HH11 ARG 16 32.072 -3.199 -6.504
108 HH12 ARG 16 HH12 ARG 16 30.800 -4.372 -6.708
109 HH21 ARG 16 HH21 ARG 16 29.052 -3.392 -3.848
110 HH22 ARG 16 HH22 ARG 16 29.142 -4.471 -5.192
111 HA PRO 17 HA PRO 17 36.989 2.383 -1.552
112 HB2 PRO 17 HB2 PRO 17 35.844 2.968 -4.294
113 HB3 PRO 17 HB3 PRO 17 37.305 3.659 -3.519
114 HG2 PRO 17 HG2 PRO 17 37.536 1.598 -5.254
115 HG3 PRO 17 HG3 PRO 17 38.484 1.587 -3.731
116 HD2 PRO 17 HD2 PRO 17 35.984 0.067 -4.413
117 HD3 PRO 17 HD3 PRO 17 37.388 -0.441 -3.433
118 HA PRO 18 HA PRO 18 32.929 3.804 -0.091
119 HB2 PRO 18 HB2 PRO 18 33.784 5.923 1.487
120 HB3 PRO 18 HB3 PRO 18 33.763 4.214 1.983
121 HG2 PRO 18 HG2 PRO 18 36.083 5.823 0.922
122 HG3 PRO 18 HG3 PRO 18 36.061 4.658 2.285
123 HD2 PRO 18 HD2 PRO 18 36.977 3.995 -0.185
124 HD3 PRO 18 HD3 PRO 18 36.091 2.810 0.825
125 HA PRO 19 HA PRO 19 32.548 7.264 -3.014
126 HB2 PRO 19 HB2 PRO 19 29.857 7.349 -3.294
127 HB3 PRO 19 HB3 PRO 19 30.847 6.015 -3.955
128 HG2 PRO 19 HG2 PRO 19 29.224 6.039 -1.407
129 HG3 PRO 19 HG3 PRO 19 29.342 4.752 -2.636
130 HD2 PRO 19 HD2 PRO 19 30.823 4.818 -0.272
131 HD3 PRO 19 HD3 PRO 19 31.338 3.957 -1.753
132 H SER 20 H SER 20 33.478 8.716 -1.501
133 HA SER 20 HA SER 20 31.578 10.734 -0.441
134 HG SER 20 HG SER 20 34.646 10.109 0.344
135 HB2 SER 20 HB2 SER 20 32.768 10.892 1.676
136 HB3 SER 20 HB3 SER 20 32.251 9.195 1.481
Start of MODEL 13
1 HA ASP 1 HA ASP 1 24.017 8.131 -4.572
2 H1 ASP 1 H1 ASP 1 24.869 8.806 -2.455
3 H2 ASP 1 H2 ASP 1 26.366 9.064 -3.079
4 H3 ASP 1 H3 ASP 1 25.106 10.039 -3.532
5 HB2 ASP 1 HB2 ASP 1 25.590 9.770 -5.751
6 HB3 ASP 1 HB3 ASP 1 26.834 8.515 -5.640
7 H ALA 2 H ALA 2 24.049 5.876 -4.932
8 HA ALA 2 HA ALA 2 24.130 3.768 -4.175
9 HB1 ALA 2 HB3 ALA 2 26.151 2.651 -4.861
10 HB2 ALA 2 HB1 ALA 2 25.794 3.984 -5.975
11 HB3 ALA 2 HB2 ALA 2 27.074 4.170 -4.760
12 H TYR 3 H TYR 3 25.670 5.836 -2.044
13 HA TYR 3 HA TYR 3 27.058 4.361 -0.289
14 HD1 TYR 3 HD1 TYR 3 26.161 5.431 2.983
15 HD2 TYR 3 HD2 TYR 3 28.740 7.256 0.039
16 HE1 TYR 3 HE1 TYR 3 28.062 5.415 4.603
17 HE2 TYR 3 HE2 TYR 3 30.623 7.167 1.614
18 HH TYR 3 HH TYR 3 31.337 6.420 3.664
19 HB2 TYR 3 HB2 TYR 3 26.461 6.928 -0.450
20 HB3 TYR 3 HB3 TYR 3 25.280 6.552 0.796
21 H ALA 4 H ALA 4 23.510 4.539 -0.247
22 HA ALA 4 HA ALA 4 23.045 3.272 2.262
23 HB1 ALA 4 HB3 ALA 4 20.821 2.821 1.387
24 HB2 ALA 4 HB1 ALA 4 21.321 4.436 0.856
25 HB3 ALA 4 HB2 ALA 4 21.368 3.072 -0.284
26 H GLN 5 H GLN 5 23.579 1.891 -1.007
27 HA GLN 5 HA GLN 5 23.327 -0.857 -0.199
28 HB2 GLN 5 HB2 GLN 5 23.301 0.313 -2.621
29 HB3 GLN 5 HB3 GLN 5 25.026 -0.032 -2.546
30 HG2 GLN 5 HG2 GLN 5 24.279 -1.986 -3.511
31 HG3 GLN 5 HG3 GLN 5 24.170 -2.480 -1.823
32 HE21 GLN 5 HE22 GLN 5 21.862 -2.312 -0.788
33 HE22 GLN 5 HE21 GLN 5 20.540 -2.385 -1.969
34 H TRP 6 H TRP 6 26.121 1.334 -0.674
35 HA TRP 6 HA TRP 6 28.229 -0.400 -0.040
36 HD1 TRP 6 HD1 TRP 6 30.868 0.914 -1.093
37 HE1 TRP 6 HE1 TRP 6 33.015 0.976 0.300
38 HE3 TRP 6 HE3 TRP 6 28.936 2.866 3.223
39 HZ2 TRP 6 HZ2 TRP 6 33.804 1.876 2.916
40 HZ3 TRP 6 HZ3 TRP 6 30.433 3.386 5.136
41 HH2 TRP 6 HH2 TRP 6 32.861 2.904 4.996
42 HB2 TRP 6 HB2 TRP 6 28.450 1.970 -0.807
43 HB3 TRP 6 HB3 TRP 6 27.995 2.514 0.801
44 H LEU 7 H LEU 7 26.277 1.493 2.323
45 HA LEU 7 HA LEU 7 27.433 0.249 4.653
46 HG LEU 7 HG LEU 7 26.753 3.070 4.077
47 HB2 LEU 7 HB2 LEU 7 24.714 1.537 4.207
48 HB3 LEU 7 HB3 LEU 7 25.300 1.002 5.781
49 HD11 LEU 7 HD11 LEU 7 24.537 3.902 4.703
50 HD12 LEU 7 HD12 LEU 7 24.828 3.463 6.402
51 HD13 LEU 7 HD13 LEU 7 25.795 4.737 5.629
52 HD21 LEU 7 HD23 LEU 7 27.888 3.632 6.205
53 HD22 LEU 7 HD21 LEU 7 27.024 2.318 7.024
54 HD23 LEU 7 HD22 LEU 7 28.211 1.959 5.751
55 H LYS 8 H LYS 8 24.374 -0.592 2.906
56 HA LYS 8 HA LYS 8 23.641 -2.796 4.524
57 HB2 LYS 8 HB2 LYS 8 23.207 -2.324 1.543
58 HB3 LYS 8 HB3 LYS 8 22.550 -3.697 2.402
59 HG2 LYS 8 HG2 LYS 8 21.742 -1.511 3.995
60 HG3 LYS 8 HG3 LYS 8 21.614 -0.914 2.339
61 HD2 LYS 8 HD2 LYS 8 19.492 -1.874 2.805
62 HD3 LYS 8 HD3 LYS 8 20.322 -3.022 1.758
63 HE2 LYS 8 HE2 LYS 8 19.391 -4.392 3.429
64 HE3 LYS 8 HE3 LYS 8 21.080 -4.224 3.920
65 HZ1 LYS 8 HZ3 LYS 8 19.633 -3.874 5.795
66 HZ2 LYS 8 HZ1 LYS 8 20.349 -2.438 5.432
67 HZ3 LYS 8 HZ2 LYS 8 18.783 -2.706 5.010
68 H ASP 9 H ASP 9 25.920 -2.845 1.799
69 HA ASP 9 HA ASP 9 26.288 -5.702 1.807
70 HB2 ASP 9 HB2 ASP 9 28.086 -3.450 0.841
71 HB3 ASP 9 HB3 ASP 9 28.305 -5.165 0.466
72 H GLY 10 H GLY 10 27.334 -3.442 4.142
73 HA2 GLY 10 HA2 GLY 10 28.452 -4.371 6.134
74 HA3 GLY 10 HA3 GLY 10 29.563 -5.240 5.076
75 H GLY 11 H GLY 11 28.720 -1.920 4.225
76 HA2 GLY 11 HA2 GLY 11 29.993 -0.041 4.036
77 HA3 GLY 11 HA3 GLY 11 30.668 -0.436 5.612
78 HA PRO 12 HA PRO 12 34.249 -0.679 2.828
79 HB2 PRO 12 HB2 PRO 12 36.267 -0.712 4.662
80 HB3 PRO 12 HB3 PRO 12 35.311 0.755 4.311
81 HG2 PRO 12 HG2 PRO 12 34.962 -1.191 6.601
82 HG3 PRO 12 HG3 PRO 12 34.967 0.601 6.652
83 HD2 PRO 12 HD2 PRO 12 32.670 -0.925 6.572
84 HD3 PRO 12 HD3 PRO 12 32.762 0.716 5.882
85 H SER 13 H SER 13 33.188 -3.088 5.120
86 HA SER 13 HA SER 13 35.251 -5.042 4.806
87 HG SER 13 HG SER 13 33.992 -7.254 4.843
88 HB2 SER 13 HB2 SER 13 33.411 -5.070 6.553
89 HB3 SER 13 HB3 SER 13 32.296 -5.589 5.266
90 H SER 14 H SER 14 32.881 -3.967 2.586
91 HA SER 14 HA SER 14 32.632 -6.363 0.960
92 HG SER 14 HG SER 14 30.872 -3.551 1.843
93 HB2 SER 14 HB2 SER 14 32.153 -3.491 0.138
94 HB3 SER 14 HB3 SER 14 31.414 -4.958 -0.542
95 H GLY 15 H GLY 15 35.229 -4.113 1.299
96 HA2 GLY 15 HA2 GLY 15 37.201 -3.939 0.092
97 HA3 GLY 15 HA3 GLY 15 36.611 -5.146 -1.048
98 H ARG 16 H ARG 16 34.494 -2.478 -0.651
99 HA ARG 16 HA ARG 16 35.405 -1.238 -3.207
100 HE ARG 16 HE ARG 16 29.713 -3.187 -1.332
101 HB2 ARG 16 HB2 ARG 16 32.968 -0.296 -3.200
102 HB3 ARG 16 HB3 ARG 16 33.347 -1.896 -3.829
103 HG2 ARG 16 HG2 ARG 16 32.508 -3.001 -1.929
104 HG3 ARG 16 HG3 ARG 16 32.320 -1.496 -0.997
105 HD2 ARG 16 HD2 ARG 16 30.348 -0.953 -2.023
106 HD3 ARG 16 HD3 ARG 16 30.858 -1.569 -3.587
107 HH11 ARG 16 HH11 ARG 16 30.239 -2.913 -4.780
108 HH12 ARG 16 HH12 ARG 16 29.409 -4.414 -5.104
109 HH21 ARG 16 HH21 ARG 16 28.313 -4.676 -2.001
110 HH22 ARG 16 HH22 ARG 16 28.568 -5.611 -3.431
111 HA PRO 17 HA PRO 17 36.515 2.313 -0.703
112 HB2 PRO 17 HB2 PRO 17 36.089 3.713 -3.353
113 HB3 PRO 17 HB3 PRO 17 37.416 3.928 -2.169
114 HG2 PRO 17 HG2 PRO 17 37.802 2.426 -4.388
115 HG3 PRO 17 HG3 PRO 17 38.417 1.852 -2.803
116 HD2 PRO 17 HD2 PRO 17 35.908 1.010 -4.264
117 HD3 PRO 17 HD3 PRO 17 37.111 0.012 -3.388
118 HA PRO 18 HA PRO 18 32.422 3.984 0.181
119 HB2 PRO 18 HB2 PRO 18 33.146 6.244 1.661
120 HB3 PRO 18 HB3 PRO 18 32.988 4.589 2.287
121 HG2 PRO 18 HG2 PRO 18 35.478 6.054 1.431
122 HG3 PRO 18 HG3 PRO 18 35.256 4.946 2.823
123 HD2 PRO 18 HD2 PRO 18 36.454 4.172 0.500
124 HD3 PRO 18 HD3 PRO 18 35.442 3.046 1.453
125 HA PRO 19 HA PRO 19 32.316 7.209 -3.021
126 HB2 PRO 19 HB2 PRO 19 29.683 7.152 -3.670
127 HB3 PRO 19 HB3 PRO 19 30.798 5.814 -4.055
128 HG2 PRO 19 HG2 PRO 19 28.865 5.995 -1.741
129 HG3 PRO 19 HG3 PRO 19 29.143 4.624 -2.847
130 HD2 PRO 19 HD2 PRO 19 30.340 4.863 -0.351
131 HD3 PRO 19 HD3 PRO 19 31.067 3.965 -1.715
132 H SER 20 H SER 20 32.968 8.393 -0.891
133 HA SER 20 HA SER 20 31.329 10.831 -0.731
134 HG SER 20 HG SER 20 29.796 10.353 0.601
135 HB2 SER 20 HB2 SER 20 32.087 9.139 1.692
136 HB3 SER 20 HB3 SER 20 31.855 10.892 1.807
Start of MODEL 14
1 HA ASP 1 HA ASP 1 23.457 8.375 -4.239
2 H1 ASP 1 H1 ASP 1 21.554 7.200 -5.268
3 H2 ASP 1 H2 ASP 1 20.915 6.998 -3.753
4 H3 ASP 1 H3 ASP 1 21.085 8.518 -4.364
5 HB2 ASP 1 HB2 ASP 1 23.715 8.188 -1.818
6 HB3 ASP 1 HB3 ASP 1 22.176 8.989 -2.169
7 H ALA 2 H ALA 2 25.315 7.039 -3.326
8 HA ALA 2 HA ALA 2 24.937 4.113 -3.838
9 HB1 ALA 2 HB3 ALA 2 27.615 4.441 -3.948
10 HB2 ALA 2 HB1 ALA 2 26.548 4.626 -5.346
11 HB3 ALA 2 HB2 ALA 2 27.118 6.061 -4.470
12 H TYR 3 H TYR 3 25.539 6.379 -1.285
13 HA TYR 3 HA TYR 3 27.251 4.781 0.348
14 HD1 TYR 3 HD1 TYR 3 28.973 6.334 1.702
15 HD2 TYR 3 HD2 TYR 3 25.075 6.528 3.548
16 HE1 TYR 3 HE1 TYR 3 30.030 6.163 3.940
17 HE2 TYR 3 HE2 TYR 3 26.151 6.417 5.797
18 HH TYR 3 HH TYR 3 29.616 6.563 6.247
19 HB2 TYR 3 HB2 TYR 3 26.893 7.254 0.516
20 HB3 TYR 3 HB3 TYR 3 25.301 6.946 1.199
21 H ALA 4 H ALA 4 23.612 5.007 0.207
22 HA ALA 4 HA ALA 4 23.092 3.234 2.351
23 HB1 ALA 4 HB3 ALA 4 20.942 2.858 1.178
24 HB2 ALA 4 HB1 ALA 4 21.382 4.578 1.195
25 HB3 ALA 4 HB2 ALA 4 21.601 3.627 -0.285
26 H GLN 5 H GLN 5 23.846 2.474 -1.082
27 HA GLN 5 HA GLN 5 23.520 -0.376 -0.717
28 HB2 GLN 5 HB2 GLN 5 23.530 1.024 -2.960
29 HB3 GLN 5 HB3 GLN 5 25.284 0.792 -2.874
30 HG2 GLN 5 HG2 GLN 5 24.471 -1.771 -2.344
31 HG3 GLN 5 HG3 GLN 5 23.069 -1.213 -3.255
32 HE21 GLN 5 HE22 GLN 5 26.403 -2.382 -3.446
33 HE22 GLN 5 HE21 GLN 5 26.312 -2.239 -5.241
34 H TRP 6 H TRP 6 26.376 1.808 -0.725
35 HA TRP 6 HA TRP 6 28.405 -0.086 -0.276
36 HD1 TRP 6 HD1 TRP 6 31.081 1.230 -0.986
37 HE1 TRP 6 HE1 TRP 6 33.131 0.935 0.520
38 HE3 TRP 6 HE3 TRP 6 28.979 2.686 3.436
39 HZ2 TRP 6 HZ2 TRP 6 33.815 1.501 3.279
40 HZ3 TRP 6 HZ3 TRP 6 30.371 2.875 5.485
41 HH2 TRP 6 HH2 TRP 6 32.790 2.309 5.414
42 HB2 TRP 6 HB2 TRP 6 28.717 2.355 -0.693
43 HB3 TRP 6 HB3 TRP 6 28.165 2.693 0.944
44 H LEU 7 H LEU 7 26.353 1.518 2.217
45 HA LEU 7 HA LEU 7 27.344 -0.027 4.416
46 HG LEU 7 HG LEU 7 26.759 2.822 4.255
47 HB2 LEU 7 HB2 LEU 7 24.683 1.349 3.940
48 HB3 LEU 7 HB3 LEU 7 25.098 0.564 5.462
49 HD11 LEU 7 HD11 LEU 7 24.583 3.711 4.722
50 HD12 LEU 7 HD12 LEU 7 24.484 2.850 6.279
51 HD13 LEU 7 HD13 LEU 7 25.632 4.181 6.071
52 HD21 LEU 7 HD23 LEU 7 27.688 3.032 6.507
53 HD22 LEU 7 HD21 LEU 7 26.675 1.693 7.088
54 HD23 LEU 7 HD22 LEU 7 27.976 1.395 5.915
55 H LYS 8 H LYS 8 24.518 -0.747 2.258
56 HA LYS 8 HA LYS 8 23.761 -3.201 3.499
57 HB2 LYS 8 HB2 LYS 8 23.673 -2.409 0.556
58 HB3 LYS 8 HB3 LYS 8 23.130 -3.966 1.154
59 HG2 LYS 8 HG2 LYS 8 21.551 -2.646 2.726
60 HG3 LYS 8 HG3 LYS 8 21.914 -1.255 1.684
61 HD2 LYS 8 HD2 LYS 8 21.398 -3.165 -0.222
62 HD3 LYS 8 HD3 LYS 8 20.408 -3.792 1.103
63 HE2 LYS 8 HE2 LYS 8 19.283 -1.545 1.240
64 HE3 LYS 8 HE3 LYS 8 20.287 -0.999 -0.115
65 HZ1 LYS 8 HZ3 LYS 8 18.160 -1.744 -0.931
66 HZ2 LYS 8 HZ1 LYS 8 19.310 -2.802 -1.445
67 HZ3 LYS 8 HZ2 LYS 8 18.320 -3.210 -0.200
68 H ASP 9 H ASP 9 26.337 -2.672 1.106
69 HA ASP 9 HA ASP 9 27.052 -5.469 0.909
70 HB2 ASP 9 HB2 ASP 9 28.594 -2.976 0.098
71 HB3 ASP 9 HB3 ASP 9 28.973 -4.633 -0.382
72 H GLY 10 H GLY 10 27.099 -4.193 3.684
73 HA2 GLY 10 HA2 GLY 10 28.162 -4.756 5.649
74 HA3 GLY 10 HA3 GLY 10 29.461 -5.544 4.753
75 H GLY 11 H GLY 11 28.495 -2.230 4.067
76 HA2 GLY 11 HA2 GLY 11 29.702 -0.289 3.983
77 HA3 GLY 11 HA3 GLY 11 30.254 -0.665 5.611
78 HA PRO 12 HA PRO 12 34.124 -0.977 3.286
79 HB2 PRO 12 HB2 PRO 12 35.917 -1.205 5.325
80 HB3 PRO 12 HB3 PRO 12 35.039 0.308 4.966
81 HG2 PRO 12 HG2 PRO 12 34.424 -1.736 7.103
82 HG3 PRO 12 HG3 PRO 12 34.410 0.052 7.219
83 HD2 PRO 12 HD2 PRO 12 32.157 -1.532 6.794
84 HD3 PRO 12 HD3 PRO 12 32.280 0.180 6.310
85 H SER 13 H SER 13 32.628 -3.546 5.030
86 HA SER 13 HA SER 13 34.655 -5.480 5.223
87 HG SER 13 HG SER 13 33.444 -7.720 4.657
88 HB2 SER 13 HB2 SER 13 32.368 -5.631 6.237
89 HB3 SER 13 HB3 SER 13 31.720 -5.988 4.621
90 H SER 14 H SER 14 32.823 -4.591 2.309
91 HA SER 14 HA SER 14 33.721 -6.942 0.801
92 HG SER 14 HG SER 14 30.824 -4.837 1.162
93 HB2 SER 14 HB2 SER 14 32.543 -5.320 -1.019
94 HB3 SER 14 HB3 SER 14 31.660 -6.466 -0.013
95 H GLY 15 H GLY 15 35.234 -4.026 1.628
96 HA2 GLY 15 HA2 GLY 15 37.301 -3.272 0.963
97 HA3 GLY 15 HA3 GLY 15 37.322 -4.453 -0.343
98 H ARG 16 H ARG 16 34.577 -3.060 -1.084
99 HA ARG 16 HA ARG 16 35.463 -1.289 -3.134
100 HE ARG 16 HE ARG 16 29.833 -1.423 -2.817
101 HB2 ARG 16 HB2 ARG 16 33.085 -0.658 -3.353
102 HB3 ARG 16 HB3 ARG 16 33.391 -2.387 -3.360
103 HG2 ARG 16 HG2 ARG 16 32.816 -2.012 -0.688
104 HG3 ARG 16 HG3 ARG 16 31.860 -0.730 -1.406
105 HD2 ARG 16 HD2 ARG 16 31.760 -3.648 -2.236
106 HD3 ARG 16 HD3 ARG 16 30.678 -2.906 -1.055
107 HH11 ARG 16 HH11 ARG 16 30.989 -4.599 -3.696
108 HH12 ARG 16 HH12 ARG 16 29.913 -4.722 -5.061
109 HH21 ARG 16 HH21 ARG 16 28.436 -1.681 -4.479
110 HH22 ARG 16 HH22 ARG 16 28.615 -3.020 -5.582
111 HA PRO 17 HA PRO 17 36.614 2.187 -0.527
112 HB2 PRO 17 HB2 PRO 17 36.324 3.673 -3.144
113 HB3 PRO 17 HB3 PRO 17 37.620 3.797 -1.915
114 HG2 PRO 17 HG2 PRO 17 38.010 2.350 -4.172
115 HG3 PRO 17 HG3 PRO 17 38.563 1.710 -2.590
116 HD2 PRO 17 HD2 PRO 17 36.062 1.000 -4.136
117 HD3 PRO 17 HD3 PRO 17 37.210 -0.067 -3.268
118 HA PRO 18 HA PRO 18 32.484 3.818 0.188
119 HB2 PRO 18 HB2 PRO 18 33.131 5.936 1.924
120 HB3 PRO 18 HB3 PRO 18 32.812 4.250 2.378
121 HG2 PRO 18 HG2 PRO 18 35.453 5.628 1.953
122 HG3 PRO 18 HG3 PRO 18 35.022 4.389 3.175
123 HD2 PRO 18 HD2 PRO 18 36.446 3.809 0.922
124 HD3 PRO 18 HD3 PRO 18 35.286 2.642 1.625
125 HA PRO 19 HA PRO 19 32.420 7.315 -2.650
126 HB2 PRO 19 HB2 PRO 19 29.748 7.753 -2.828
127 HB3 PRO 19 HB3 PRO 19 30.523 6.285 -3.498
128 HG2 PRO 19 HG2 PRO 19 29.077 6.576 -0.846
129 HG3 PRO 19 HG3 PRO 19 28.896 5.286 -2.071
130 HD2 PRO 19 HD2 PRO 19 30.511 5.045 0.148
131 HD3 PRO 19 HD3 PRO 19 30.869 4.233 -1.406
132 H SER 20 H SER 20 33.375 9.049 -1.696
133 HA SER 20 HA SER 20 31.674 10.998 -0.263
134 HG SER 20 HG SER 20 34.880 10.660 -0.270
135 HB2 SER 20 HB2 SER 20 33.322 11.363 1.474
136 HB3 SER 20 HB3 SER 20 32.951 9.618 1.475
Start of MODEL 15
1 HA ASP 1 HA ASP 1 22.221 7.226 -3.247
2 H1 ASP 1 H1 ASP 1 23.968 8.527 -2.375
3 H2 ASP 1 H2 ASP 1 24.816 8.493 -3.803
4 H3 ASP 1 H3 ASP 1 23.385 9.277 -3.744
5 HB2 ASP 1 HB2 ASP 1 23.684 7.435 -5.898
6 HB3 ASP 1 HB3 ASP 1 22.259 6.425 -5.579
7 H ALA 2 H ALA 2 25.198 6.176 -4.984
8 HA ALA 2 HA ALA 2 25.149 3.562 -4.354
9 HB1 ALA 2 HB3 ALA 2 27.608 3.630 -4.820
10 HB2 ALA 2 HB1 ALA 2 26.655 4.580 -5.969
11 HB3 ALA 2 HB2 ALA 2 27.567 5.392 -4.674
12 H TYR 3 H TYR 3 26.223 5.995 -2.054
13 HA TYR 3 HA TYR 3 27.611 4.389 -0.187
14 HD1 TYR 3 HD2 TYR 3 26.173 5.710 2.978
15 HD2 TYR 3 HD1 TYR 3 29.466 6.923 0.475
16 HE1 TYR 3 HE2 TYR 3 27.708 5.756 4.960
17 HE2 TYR 3 HE1 TYR 3 30.977 6.918 2.415
18 HH TYR 3 HH TYR 3 31.090 6.757 4.709
19 HB2 TYR 3 HB2 TYR 3 27.262 6.978 -0.377
20 HB3 TYR 3 HB3 TYR 3 25.844 6.705 0.622
21 H ALA 4 H ALA 4 24.097 4.755 -0.727
22 HA ALA 4 HA ALA 4 23.194 3.605 1.745
23 HB1 ALA 4 HB3 ALA 4 21.084 3.291 0.512
24 HB2 ALA 4 HB1 ALA 4 21.757 4.899 0.183
25 HB3 ALA 4 HB2 ALA 4 21.907 3.609 -1.029
26 H GLN 5 H GLN 5 24.016 2.182 -1.435
27 HA GLN 5 HA GLN 5 23.491 -0.546 -0.604
28 HB2 GLN 5 HB2 GLN 5 23.608 0.417 -3.035
29 HB3 GLN 5 HB3 GLN 5 25.361 0.217 -2.856
30 HG2 GLN 5 HG2 GLN 5 24.667 -2.230 -2.012
31 HG3 GLN 5 HG3 GLN 5 23.161 -1.870 -2.847
32 HE21 GLN 5 HE22 GLN 5 26.400 -2.986 -3.178
33 HE22 GLN 5 HE21 GLN 5 26.289 -3.109 -4.956
34 H TRP 6 H TRP 6 26.448 1.488 -0.851
35 HA TRP 6 HA TRP 6 28.377 -0.393 -0.088
36 HD1 TRP 6 HD1 TRP 6 31.059 0.615 -1.030
37 HE1 TRP 6 HE1 TRP 6 33.226 0.717 0.345
38 HE3 TRP 6 HE3 TRP 6 29.201 2.880 3.169
39 HZ2 TRP 6 HZ2 TRP 6 34.001 1.568 2.988
40 HZ3 TRP 6 HZ3 TRP 6 30.682 3.329 5.108
41 HH2 TRP 6 HH2 TRP 6 33.078 2.676 5.034
42 HB2 TRP 6 HB2 TRP 6 28.742 1.989 -0.820
43 HB3 TRP 6 HB3 TRP 6 28.280 2.509 0.795
44 H LEU 7 H LEU 7 26.415 1.631 2.187
45 HA LEU 7 HA LEU 7 27.335 0.288 4.554
46 HG LEU 7 HG LEU 7 26.795 3.206 4.008
47 HB2 LEU 7 HB2 LEU 7 24.738 1.743 3.962
48 HB3 LEU 7 HB3 LEU 7 25.177 1.134 5.558
49 HD11 LEU 7 HD11 LEU 7 24.612 4.078 4.681
50 HD12 LEU 7 HD12 LEU 7 24.838 3.463 6.335
51 HD13 LEU 7 HD13 LEU 7 25.860 4.773 5.727
52 HD21 LEU 7 HD23 LEU 7 27.922 3.591 6.190
53 HD22 LEU 7 HD21 LEU 7 27.039 2.217 6.887
54 HD23 LEU 7 HD22 LEU 7 28.228 1.966 5.588
55 H LYS 8 H LYS 8 24.456 -0.471 2.512
56 HA LYS 8 HA LYS 8 23.510 -2.692 4.038
57 HB2 LYS 8 HB2 LYS 8 23.398 -2.095 1.061
58 HB3 LYS 8 HB3 LYS 8 22.668 -3.532 1.762
59 HG2 LYS 8 HG2 LYS 8 21.153 -2.225 3.123
60 HG3 LYS 8 HG3 LYS 8 21.976 -0.722 2.698
61 HD2 LYS 8 HD2 LYS 8 19.976 -0.825 1.384
62 HD3 LYS 8 HD3 LYS 8 21.344 -1.087 0.294
63 HE2 LYS 8 HE2 LYS 8 20.931 -3.590 0.518
64 HE3 LYS 8 HE3 LYS 8 19.485 -3.210 1.465
65 HZ1 LYS 8 HZ3 LYS 8 18.915 -3.562 -0.835
66 HZ2 LYS 8 HZ1 LYS 8 18.661 -1.976 -0.481
67 HZ3 LYS 8 HZ2 LYS 8 19.985 -2.427 -1.347
68 H ASP 9 H ASP 9 26.059 -2.632 1.564
69 HA ASP 9 HA ASP 9 26.582 -5.488 1.709
70 HB2 ASP 9 HB2 ASP 9 28.219 -3.233 0.494
71 HB3 ASP 9 HB3 ASP 9 28.467 -4.962 0.224
72 H GLY 10 H GLY 10 26.887 -3.746 4.247
73 HA2 GLY 10 HA2 GLY 10 28.020 -4.250 6.214
74 HA3 GLY 10 HA3 GLY 10 29.244 -5.147 5.318
75 H GLY 11 H GLY 11 28.416 -1.899 4.294
76 HA2 GLY 11 HA2 GLY 11 29.629 0.026 4.119
77 HA3 GLY 11 HA3 GLY 11 30.228 -0.272 5.747
78 HA PRO 12 HA PRO 12 34.006 -0.842 3.305
79 HB2 PRO 12 HB2 PRO 12 35.861 -1.009 5.295
80 HB3 PRO 12 HB3 PRO 12 35.036 0.517 4.866
81 HG2 PRO 12 HG2 PRO 12 34.390 -1.374 7.135
82 HG3 PRO 12 HG3 PRO 12 34.485 0.416 7.161
83 HD2 PRO 12 HD2 PRO 12 32.125 -1.017 6.907
84 HD3 PRO 12 HD3 PRO 12 32.348 0.632 6.258
85 H SER 13 H SER 13 32.506 -3.219 5.304
86 HA SER 13 HA SER 13 34.451 -5.238 5.499
87 HG SER 13 HG SER 13 33.424 -7.155 6.433
88 HB2 SER 13 HB2 SER 13 32.207 -5.186 6.618
89 HB3 SER 13 HB3 SER 13 31.463 -5.613 5.063
90 H SER 14 H SER 14 32.334 -4.495 2.707
91 HA SER 14 HA SER 14 33.072 -6.799 1.151
92 HG SER 14 HG SER 14 30.376 -4.733 1.642
93 HB2 SER 14 HB2 SER 14 32.152 -4.783 -0.579
94 HB3 SER 14 HB3 SER 14 31.217 -6.109 0.105
95 H GLY 15 H GLY 15 34.987 -4.095 1.956
96 HA2 GLY 15 HA2 GLY 15 37.040 -3.440 1.190
97 HA3 GLY 15 HA3 GLY 15 37.017 -4.783 0.050
98 H ARG 16 H ARG 16 34.308 -2.903 -0.521
99 HA ARG 16 HA ARG 16 35.330 -1.862 -3.027
100 HE ARG 16 HE ARG 16 30.883 1.003 -4.037
101 HB2 ARG 16 HB2 ARG 16 33.119 -2.715 -2.971
102 HB3 ARG 16 HB3 ARG 16 32.658 -1.702 -1.596
103 HG2 ARG 16 HG2 ARG 16 32.634 0.285 -2.915
104 HG3 ARG 16 HG3 ARG 16 33.427 -0.505 -4.291
105 HD2 ARG 16 HD2 ARG 16 31.543 -1.622 -4.966
106 HD3 ARG 16 HD3 ARG 16 30.859 -1.710 -3.330
107 HH11 ARG 16 HH11 ARG 16 29.295 -1.872 -5.229
108 HH12 ARG 16 HH12 ARG 16 27.779 -1.067 -5.535
109 HH21 ARG 16 HH21 ARG 16 28.907 2.005 -4.404
110 HH22 ARG 16 HH22 ARG 16 27.608 1.110 -5.145
111 HA PRO 17 HA PRO 17 36.912 2.098 -1.665
112 HB2 PRO 17 HB2 PRO 17 35.686 2.941 -4.304
113 HB3 PRO 17 HB3 PRO 17 37.238 3.454 -3.569
114 HG2 PRO 17 HG2 PRO 17 37.205 1.504 -5.441
115 HG3 PRO 17 HG3 PRO 17 38.220 1.310 -3.973
116 HD2 PRO 17 HD2 PRO 17 35.544 0.080 -4.596
117 HD3 PRO 17 HD3 PRO 17 36.961 -0.638 -3.775
118 HA PRO 18 HA PRO 18 33.011 3.749 0.044
119 HB2 PRO 18 HB2 PRO 18 34.111 5.693 1.680
120 HB3 PRO 18 HB3 PRO 18 33.975 3.972 2.099
121 HG2 PRO 18 HG2 PRO 18 36.375 5.438 1.019
122 HG3 PRO 18 HG3 PRO 18 36.308 4.211 2.325
123 HD2 PRO 18 HD2 PRO 18 37.065 3.615 -0.220
124 HD3 PRO 18 HD3 PRO 18 36.151 2.444 0.781
125 HA PRO 19 HA PRO 19 33.067 7.317 -2.824
126 HB2 PRO 19 HB2 PRO 19 30.365 7.654 -3.120
127 HB3 PRO 19 HB3 PRO 19 31.297 6.383 -3.964
128 HG2 PRO 19 HG2 PRO 19 29.529 6.110 -1.551
129 HG3 PRO 19 HG3 PRO 19 29.760 4.976 -2.906
130 HD2 PRO 19 HD2 PRO 19 31.016 4.808 -0.392
131 HD3 PRO 19 HD3 PRO 19 31.577 3.991 -1.879
132 H SER 20 H SER 20 32.789 9.599 -2.450
133 HA SER 20 HA SER 20 31.121 10.727 -0.407
134 HG SER 20 HG SER 20 32.250 9.091 0.883
135 HB2 SER 20 HB2 SER 20 34.126 10.538 0.075
136 HB3 SER 20 HB3 SER 20 33.090 11.768 0.837
Start of MODEL 16
1 HA ASP 1 HA ASP 1 25.120 8.835 -3.911
2 H1 ASP 1 H1 ASP 1 24.101 8.686 -6.048
3 H2 ASP 1 H2 ASP 1 22.607 8.554 -5.391
4 H3 ASP 1 H3 ASP 1 23.442 9.979 -5.244
5 HB2 ASP 1 HB2 ASP 1 23.029 10.041 -2.997
6 HB3 ASP 1 HB3 ASP 1 22.354 8.432 -2.724
7 H ALA 2 H ALA 2 25.617 6.871 -2.711
8 HA ALA 2 HA ALA 2 24.174 4.416 -3.453
9 HB1 ALA 2 HB3 ALA 2 26.215 3.236 -4.166
10 HB2 ALA 2 HB1 ALA 2 25.854 4.610 -5.224
11 HB3 ALA 2 HB2 ALA 2 27.150 4.740 -4.022
12 H TYR 3 H TYR 3 25.115 6.240 -0.941
13 HA TYR 3 HA TYR 3 26.910 4.657 0.581
14 HD1 TYR 3 HD1 TYR 3 28.555 6.526 1.755
15 HD2 TYR 3 HD2 TYR 3 24.893 5.985 3.970
16 HE1 TYR 3 HE1 TYR 3 29.867 6.282 3.850
17 HE2 TYR 3 HE2 TYR 3 26.216 5.813 6.085
18 HH TYR 3 HH TYR 3 29.755 5.659 6.081
19 HB2 TYR 3 HB2 TYR 3 26.305 7.120 0.815
20 HB3 TYR 3 HB3 TYR 3 24.831 6.612 1.625
21 H ALA 4 H ALA 4 23.350 4.714 0.524
22 HA ALA 4 HA ALA 4 22.804 2.891 2.621
23 HB1 ALA 4 HB3 ALA 4 20.666 2.546 1.470
24 HB2 ALA 4 HB1 ALA 4 21.110 4.261 1.402
25 HB3 ALA 4 HB2 ALA 4 21.323 3.230 -0.031
26 H GLN 5 H GLN 5 23.600 2.236 -0.809
27 HA GLN 5 HA GLN 5 23.366 -0.645 -0.529
28 HB2 GLN 5 HB2 GLN 5 23.089 0.808 -2.666
29 HB3 GLN 5 HB3 GLN 5 24.858 0.791 -2.747
30 HG2 GLN 5 HG2 GLN 5 24.807 -1.712 -2.737
31 HG3 GLN 5 HG3 GLN 5 23.041 -1.670 -2.635
32 HE21 GLN 5 HE22 GLN 5 21.820 -0.761 -4.519
33 HE22 GLN 5 HE21 GLN 5 22.644 -0.787 -6.077
34 H TRP 6 H TRP 6 26.092 1.700 -0.579
35 HA TRP 6 HA TRP 6 28.248 -0.081 -0.322
36 HD1 TRP 6 HD1 TRP 6 30.801 1.052 -0.922
37 HE1 TRP 6 HE1 TRP 6 32.920 1.007 0.545
38 HE3 TRP 6 HE3 TRP 6 28.832 2.859 3.462
39 HZ2 TRP 6 HZ2 TRP 6 33.711 1.912 3.116
40 HZ3 TRP 6 HZ3 TRP 6 30.315 3.243 5.419
41 HH2 TRP 6 HH2 TRP 6 32.760 2.821 5.249
42 HB2 TRP 6 HB2 TRP 6 28.419 2.384 -0.599
43 HB3 TRP 6 HB3 TRP 6 27.900 2.603 1.067
44 H LEU 7 H LEU 7 26.241 1.243 2.365
45 HA LEU 7 HA LEU 7 27.442 -0.339 4.430
46 HG LEU 7 HG LEU 7 26.456 2.516 4.284
47 HB2 LEU 7 HB2 LEU 7 24.617 0.747 4.163
48 HB3 LEU 7 HB3 LEU 7 25.276 0.046 5.639
49 HD11 LEU 7 HD11 LEU 7 24.185 2.983 5.014
50 HD12 LEU 7 HD12 LEU 7 24.496 2.237 6.601
51 HD13 LEU 7 HD13 LEU 7 25.319 3.736 6.144
52 HD21 LEU 7 HD23 LEU 7 27.574 2.882 6.427
53 HD22 LEU 7 HD21 LEU 7 26.885 1.377 7.075
54 HD23 LEU 7 HD22 LEU 7 28.067 1.329 5.745
55 H LYS 8 H LYS 8 24.684 -1.156 2.262
56 HA LYS 8 HA LYS 8 24.051 -3.678 3.459
57 HB2 LYS 8 HB2 LYS 8 23.733 -2.761 0.568
58 HB3 LYS 8 HB3 LYS 8 23.146 -4.286 1.190
59 HG2 LYS 8 HG2 LYS 8 22.212 -2.253 2.998
60 HG3 LYS 8 HG3 LYS 8 21.922 -1.659 1.365
61 HD2 LYS 8 HD2 LYS 8 21.067 -4.425 2.324
62 HD3 LYS 8 HD3 LYS 8 20.043 -2.982 2.421
63 HE2 LYS 8 HE2 LYS 8 20.272 -2.662 -0.042
64 HE3 LYS 8 HE3 LYS 8 21.213 -4.158 -0.142
65 HZ1 LYS 8 HZ3 LYS 8 18.844 -4.484 -0.642
66 HZ2 LYS 8 HZ1 LYS 8 19.300 -5.367 0.669
67 HZ3 LYS 8 HZ2 LYS 8 18.435 -3.984 0.870
68 H ASP 9 H ASP 9 26.551 -2.940 1.031
69 HA ASP 9 HA ASP 9 27.445 -5.703 0.819
70 HB2 ASP 9 HB2 ASP 9 28.776 -3.067 0.102
71 HB3 ASP 9 HB3 ASP 9 29.464 -4.650 -0.261
72 H GLY 10 H GLY 10 27.408 -4.223 3.685
73 HA2 GLY 10 HA2 GLY 10 28.635 -4.765 5.612
74 HA3 GLY 10 HA3 GLY 10 29.879 -5.540 4.629
75 H GLY 11 H GLY 11 28.874 -2.343 3.690
76 HA2 GLY 11 HA2 GLY 11 29.934 -0.326 3.597
77 HA3 GLY 11 HA3 GLY 11 30.411 -0.618 5.261
78 HA PRO 12 HA PRO 12 34.408 -0.529 3.139
79 HB2 PRO 12 HB2 PRO 12 36.080 -0.388 5.288
80 HB3 PRO 12 HB3 PRO 12 35.033 0.969 4.792
81 HG2 PRO 12 HG2 PRO 12 34.564 -1.032 7.007
82 HG3 PRO 12 HG3 PRO 12 34.305 0.742 7.022
83 HD2 PRO 12 HD2 PRO 12 32.314 -1.150 6.565
84 HD3 PRO 12 HD3 PRO 12 32.240 0.534 5.987
85 H SER 13 H SER 13 33.160 -3.148 5.006
86 HA SER 13 HA SER 13 35.582 -4.682 5.260
87 HG SER 13 HG SER 13 35.156 -6.242 6.870
88 HB2 SER 13 HB2 SER 13 33.409 -4.759 6.649
89 HB3 SER 13 HB3 SER 13 32.768 -5.805 5.371
90 H SER 14 H SER 14 33.385 -4.337 2.598
91 HA SER 14 HA SER 14 34.265 -6.843 1.282
92 HG SER 14 HG SER 14 30.995 -6.131 1.612
93 HB2 SER 14 HB2 SER 14 32.194 -4.750 0.569
94 HB3 SER 14 HB3 SER 14 32.627 -6.102 -0.502
95 H GLY 15 H GLY 15 36.060 -4.284 1.653
96 HA2 GLY 15 HA2 GLY 15 37.865 -3.456 0.430
97 HA3 GLY 15 HA3 GLY 15 37.493 -4.640 -0.823
98 H ARG 16 H ARG 16 34.903 -2.518 -0.052
99 HA ARG 16 HA ARG 16 35.176 -1.271 -2.721
100 HE ARG 16 HE ARG 16 29.944 -1.744 -2.392
101 HB2 ARG 16 HB2 ARG 16 33.250 -2.822 -2.067
102 HB3 ARG 16 HB3 ARG 16 32.618 -1.509 -1.068
103 HG2 ARG 16 HG2 ARG 16 32.161 -0.143 -2.988
104 HG3 ARG 16 HG3 ARG 16 33.344 -1.012 -3.959
105 HD2 ARG 16 HD2 ARG 16 31.545 -1.829 -4.928
106 HD3 ARG 16 HD3 ARG 16 31.761 -3.081 -3.721
107 HH11 ARG 16 HH11 ARG 16 29.942 -2.052 -5.886
108 HH12 ARG 16 HH12 ARG 16 28.213 -1.809 -5.988
109 HH21 ARG 16 HH21 ARG 16 27.624 -1.971 -2.753
110 HH22 ARG 16 HH22 ARG 16 27.017 -1.405 -4.257
111 HA PRO 17 HA PRO 17 36.000 2.478 -0.477
112 HB2 PRO 17 HB2 PRO 17 36.017 4.350 -2.485
113 HB3 PRO 17 HB3 PRO 17 37.304 3.127 -2.259
114 HG2 PRO 17 HG2 PRO 17 34.943 3.020 -4.154
115 HG3 PRO 17 HG3 PRO 17 36.663 2.653 -4.500
116 HD2 PRO 17 HD2 PRO 17 34.813 0.717 -3.945
117 HD3 PRO 17 HD3 PRO 17 36.525 0.555 -3.446
118 HA PRO 18 HA PRO 18 31.908 4.066 0.298
119 HB2 PRO 18 HB2 PRO 18 32.457 6.365 1.747
120 HB3 PRO 18 HB3 PRO 18 32.509 4.708 2.397
121 HG2 PRO 18 HG2 PRO 18 34.801 6.401 1.390
122 HG3 PRO 18 HG3 PRO 18 34.738 5.367 2.854
123 HD2 PRO 18 HD2 PRO 18 35.924 4.553 0.532
124 HD3 PRO 18 HD3 PRO 18 35.048 3.405 1.591
125 HA PRO 19 HA PRO 19 31.503 7.163 -2.972
126 HB2 PRO 19 HB2 PRO 19 28.812 7.243 -3.227
127 HB3 PRO 19 HB3 PRO 19 29.743 5.767 -3.616
128 HG2 PRO 19 HG2 PRO 19 28.285 6.397 -1.021
129 HG3 PRO 19 HG3 PRO 19 28.185 4.906 -2.011
130 HD2 PRO 19 HD2 PRO 19 29.842 5.128 0.154
131 HD3 PRO 19 HD3 PRO 19 30.250 4.136 -1.279
132 H SER 20 H SER 20 32.547 8.601 -1.241
133 HA SER 20 HA SER 20 30.830 10.952 -0.802
134 HG SER 20 HG SER 20 29.702 10.837 0.959
135 HB2 SER 20 HB2 SER 20 31.268 9.110 1.313
136 HB3 SER 20 HB3 SER 20 32.431 10.414 1.607
Start of MODEL 17
1 HA ASP 1 HA ASP 1 25.439 8.237 -4.767
2 H1 ASP 1 H1 ASP 1 23.353 8.348 -5.840
3 H2 ASP 1 H2 ASP 1 22.539 8.460 -4.406
4 H3 ASP 1 H3 ASP 1 23.527 9.702 -4.880
5 HB2 ASP 1 HB2 ASP 1 23.803 8.966 -2.329
6 HB3 ASP 1 HB3 ASP 1 25.439 8.274 -2.206
7 H ALA 2 H ALA 2 26.374 6.356 -4.071
8 HA ALA 2 HA ALA 2 24.594 3.999 -3.897
9 HB1 ALA 2 HB3 ALA 2 26.670 2.767 -4.438
10 HB2 ALA 2 HB1 ALA 2 26.311 4.030 -5.628
11 HB3 ALA 2 HB2 ALA 2 27.582 4.290 -4.425
12 H TYR 3 H TYR 3 25.865 6.059 -1.649
13 HA TYR 3 HA TYR 3 27.337 4.559 0.164
14 HD1 TYR 3 HD1 TYR 3 29.031 6.119 1.333
15 HD2 TYR 3 HD2 TYR 3 25.199 6.701 3.235
16 HE1 TYR 3 HE1 TYR 3 30.130 6.083 3.571
17 HE2 TYR 3 HE2 TYR 3 26.316 6.728 5.460
18 HH TYR 3 HH TYR 3 28.772 5.515 6.317
19 HB2 TYR 3 HB2 TYR 3 26.948 7.048 0.121
20 HB3 TYR 3 HB3 TYR 3 25.369 6.776 0.845
21 H ALA 4 H ALA 4 23.777 4.856 0.064
22 HA ALA 4 HA ALA 4 23.119 3.353 2.369
23 HB1 ALA 4 HB3 ALA 4 20.948 3.000 1.197
24 HB2 ALA 4 HB1 ALA 4 21.489 4.686 1.109
25 HB3 ALA 4 HB2 ALA 4 21.661 3.622 -0.305
26 H GLN 5 H GLN 5 23.681 2.209 -0.998
27 HA GLN 5 HA GLN 5 23.280 -0.570 -0.334
28 HB2 GLN 5 HB2 GLN 5 23.164 0.613 -2.677
29 HB3 GLN 5 HB3 GLN 5 24.915 0.380 -2.695
30 HG2 GLN 5 HG2 GLN 5 23.979 -2.138 -1.893
31 HG3 GLN 5 HG3 GLN 5 22.695 -1.585 -2.962
32 HE21 GLN 5 HE22 GLN 5 25.805 -3.084 -2.813
33 HE22 GLN 5 HE21 GLN 5 26.072 -2.989 -4.567
34 H TRP 6 H TRP 6 26.193 1.503 -0.712
35 HA TRP 6 HA TRP 6 28.207 -0.395 -0.313
36 HD1 TRP 6 HD1 TRP 6 30.827 0.733 -1.346
37 HE1 TRP 6 HE1 TRP 6 33.091 0.727 -0.067
38 HE3 TRP 6 HE3 TRP 6 29.263 2.652 3.138
39 HZ2 TRP 6 HZ2 TRP 6 34.018 1.280 2.552
40 HZ3 TRP 6 HZ3 TRP 6 30.883 2.937 5.004
41 HH2 TRP 6 HH2 TRP 6 33.255 2.267 4.721
42 HB2 TRP 6 HB2 TRP 6 28.519 2.022 -0.882
43 HB3 TRP 6 HB3 TRP 6 28.160 2.441 0.786
44 H LEU 7 H LEU 7 26.485 1.414 2.282
45 HA LEU 7 HA LEU 7 27.647 -0.066 4.463
46 HG LEU 7 HG LEU 7 27.077 2.865 4.101
47 HB2 LEU 7 HB2 LEU 7 24.993 1.402 4.199
48 HB3 LEU 7 HB3 LEU 7 25.598 0.737 5.715
49 HD11 LEU 7 HD11 LEU 7 24.994 3.795 4.868
50 HD12 LEU 7 HD12 LEU 7 25.182 3.062 6.479
51 HD13 LEU 7 HD13 LEU 7 26.263 4.366 5.966
52 HD21 LEU 7 HD23 LEU 7 28.364 3.201 6.157
53 HD22 LEU 7 HD21 LEU 7 27.458 1.910 6.975
54 HD23 LEU 7 HD22 LEU 7 28.546 1.533 5.622
55 H LYS 8 H LYS 8 24.642 -0.664 2.593
56 HA LYS 8 HA LYS 8 23.681 -2.863 4.105
57 HB2 LYS 8 HB2 LYS 8 22.435 -1.550 2.396
58 HB3 LYS 8 HB3 LYS 8 23.378 -2.337 1.122
59 HG2 LYS 8 HG2 LYS 8 22.445 -4.484 1.612
60 HG3 LYS 8 HG3 LYS 8 21.659 -3.890 3.088
61 HD2 LYS 8 HD2 LYS 8 20.035 -2.689 1.940
62 HD3 LYS 8 HD3 LYS 8 20.997 -2.518 0.470
63 HE2 LYS 8 HE2 LYS 8 19.946 -5.210 1.417
64 HE3 LYS 8 HE3 LYS 8 18.990 -4.126 0.394
65 HZ1 LYS 8 HZ3 LYS 8 20.249 -5.725 -0.927
66 HZ2 LYS 8 HZ1 LYS 8 20.744 -4.191 -1.253
67 HZ3 LYS 8 HZ2 LYS 8 21.671 -5.166 -0.313
68 H ASP 9 H ASP 9 26.078 -2.893 1.462
69 HA ASP 9 HA ASP 9 26.445 -5.788 1.535
70 HB2 ASP 9 HB2 ASP 9 28.071 -3.497 0.377
71 HB3 ASP 9 HB3 ASP 9 28.557 -5.187 0.244
72 H GLY 10 H GLY 10 27.262 -3.550 3.933
73 HA2 GLY 10 HA2 GLY 10 28.365 -4.258 5.930
74 HA3 GLY 10 HA3 GLY 10 29.432 -5.306 5.003
75 H GLY 11 H GLY 11 29.056 -2.228 3.515
76 HA2 GLY 11 HA2 GLY 11 30.420 -0.484 3.156
77 HA3 GLY 11 HA3 GLY 11 30.551 -0.396 4.902
78 HA PRO 12 HA PRO 12 34.958 -0.990 4.067
79 HB2 PRO 12 HB2 PRO 12 35.024 -2.036 6.891
80 HB3 PRO 12 HB3 PRO 12 36.080 -0.820 6.109
81 HG2 PRO 12 HG2 PRO 12 34.113 -0.052 7.817
82 HG3 PRO 12 HG3 PRO 12 34.418 0.868 6.308
83 HD2 PRO 12 HD2 PRO 12 32.285 -1.217 6.838
84 HD3 PRO 12 HD3 PRO 12 32.140 0.375 6.036
85 H SER 13 H SER 13 32.917 -3.554 5.466
86 HA SER 13 HA SER 13 34.694 -5.769 5.303
87 HG SER 13 HG SER 13 31.880 -7.849 5.656
88 HB2 SER 13 HB2 SER 13 32.433 -5.670 6.439
89 HB3 SER 13 HB3 SER 13 31.691 -5.795 4.829
90 H SER 14 H SER 14 32.567 -4.303 2.804
91 HA SER 14 HA SER 14 32.936 -6.270 0.804
92 HG SER 14 HG SER 14 30.288 -3.605 0.908
93 HB2 SER 14 HB2 SER 14 32.408 -3.373 0.162
94 HB3 SER 14 HB3 SER 14 31.676 -4.834 -0.525
95 H GLY 15 H GLY 15 35.144 -3.833 1.908
96 HA2 GLY 15 HA2 GLY 15 37.132 -3.019 1.137
97 HA3 GLY 15 HA3 GLY 15 37.184 -4.388 0.030
98 H ARG 16 H ARG 16 34.446 -2.572 -0.667
99 HA ARG 16 HA ARG 16 35.525 -1.481 -3.148
100 HE ARG 16 HE ARG 16 30.758 -1.381 -4.857
101 HB2 ARG 16 HB2 ARG 16 33.252 -2.448 -3.020
102 HB3 ARG 16 HB3 ARG 16 32.806 -1.278 -1.791
103 HG2 ARG 16 HG2 ARG 16 31.892 -0.118 -3.470
104 HG3 ARG 16 HG3 ARG 16 33.496 0.458 -3.797
105 HD2 ARG 16 HD2 ARG 16 33.290 -0.308 -5.866
106 HD3 ARG 16 HD3 ARG 16 33.384 -1.961 -5.243
107 HH11 ARG 16 HH11 ARG 16 32.681 -1.082 -7.763
108 HH12 ARG 16 HH12 ARG 16 31.292 -1.098 -8.817
109 HH21 ARG 16 HH21 ARG 16 29.001 -1.381 -6.229
110 HH22 ARG 16 HH22 ARG 16 29.247 -1.297 -7.943
111 HA PRO 17 HA PRO 17 36.659 2.661 -1.619
112 HB2 PRO 17 HB2 PRO 17 35.575 3.346 -4.361
113 HB3 PRO 17 HB3 PRO 17 37.006 4.013 -3.516
114 HG2 PRO 17 HG2 PRO 17 37.307 2.079 -5.382
115 HG3 PRO 17 HG3 PRO 17 38.232 1.985 -3.847
116 HD2 PRO 17 HD2 PRO 17 35.731 0.492 -4.638
117 HD3 PRO 17 HD3 PRO 17 37.169 -0.092 -3.747
118 HA PRO 18 HA PRO 18 32.415 3.752 -0.369
119 HB2 PRO 18 HB2 PRO 18 33.023 5.766 1.439
120 HB3 PRO 18 HB3 PRO 18 33.061 4.028 1.799
121 HG2 PRO 18 HG2 PRO 18 35.359 5.840 1.067
122 HG3 PRO 18 HG3 PRO 18 35.303 4.561 2.323
123 HD2 PRO 18 HD2 PRO 18 36.442 4.181 -0.128
124 HD3 PRO 18 HD3 PRO 18 35.592 2.857 0.729
125 HA PRO 19 HA PRO 19 32.041 7.515 -2.933
126 HB2 PRO 19 HB2 PRO 19 29.359 7.611 -3.220
127 HB3 PRO 19 HB3 PRO 19 30.328 6.309 -3.975
128 HG2 PRO 19 HG2 PRO 19 28.780 6.187 -1.365
129 HG3 PRO 19 HG3 PRO 19 28.774 5.009 -2.707
130 HD2 PRO 19 HD2 PRO 19 30.350 4.755 -0.458
131 HD3 PRO 19 HD3 PRO 19 30.813 4.095 -2.056
132 H SER 20 H SER 20 32.996 8.612 -1.084
133 HA SER 20 HA SER 20 31.170 9.887 0.879
134 HG SER 20 HG SER 20 32.467 11.720 1.529
135 HB2 SER 20 HB2 SER 20 33.414 9.080 1.652
136 HB3 SER 20 HB3 SER 20 34.167 10.273 0.547
Start of MODEL 18
1 HA ASP 1 HA ASP 1 24.395 8.667 -3.564
2 H1 ASP 1 H1 ASP 1 24.124 8.607 -5.914
3 H2 ASP 1 H2 ASP 1 22.530 8.238 -5.785
4 H3 ASP 1 H3 ASP 1 23.072 9.729 -5.306
5 HB2 ASP 1 HB2 ASP 1 22.016 9.548 -3.258
6 HB3 ASP 1 HB3 ASP 1 21.474 7.873 -3.343
7 H ALA 2 H ALA 2 25.241 6.823 -2.775
8 HA ALA 2 HA ALA 2 24.135 4.200 -3.450
9 HB1 ALA 2 HB3 ALA 2 26.269 3.326 -4.336
10 HB2 ALA 2 HB1 ALA 2 25.643 4.644 -5.341
11 HB3 ALA 2 HB2 ALA 2 26.989 4.950 -4.221
12 H TYR 3 H TYR 3 24.983 6.151 -1.016
13 HA TYR 3 HA TYR 3 27.134 4.643 0.271
14 HD1 TYR 3 HD1 TYR 3 26.386 5.229 3.698
15 HD2 TYR 3 HD2 TYR 3 28.771 7.525 0.937
16 HE1 TYR 3 HE1 TYR 3 28.297 5.205 5.304
17 HE2 TYR 3 HE2 TYR 3 30.668 7.489 2.521
18 HH TYR 3 HH TYR 3 31.291 6.994 4.696
19 HB2 TYR 3 HB2 TYR 3 26.515 7.180 0.463
20 HB3 TYR 3 HB3 TYR 3 25.384 6.652 1.697
21 H ALA 4 H ALA 4 23.610 4.794 0.589
22 HA ALA 4 HA ALA 4 23.229 3.176 2.877
23 HB1 ALA 4 HB3 ALA 4 21.023 2.685 1.886
24 HB2 ALA 4 HB1 ALA 4 21.428 4.402 1.697
25 HB3 ALA 4 HB2 ALA 4 21.570 3.299 0.311
26 H GLN 5 H GLN 5 23.652 2.190 -0.540
27 HA GLN 5 HA GLN 5 23.578 -0.627 -0.021
28 HB2 GLN 5 HB2 GLN 5 23.311 0.802 -2.272
29 HB3 GLN 5 HB3 GLN 5 25.050 0.534 -2.394
30 HG2 GLN 5 HG2 GLN 5 23.902 -1.224 -3.607
31 HG3 GLN 5 HG3 GLN 5 24.615 -1.943 -2.168
32 HE21 GLN 5 HE22 GLN 5 21.469 -0.683 -3.525
33 HE22 GLN 5 HE21 GLN 5 20.548 -1.716 -2.418
34 H TRP 6 H TRP 6 26.305 1.704 -0.280
35 HA TRP 6 HA TRP 6 28.460 -0.106 0.007
36 HD1 TRP 6 HD1 TRP 6 31.077 1.379 -0.866
37 HE1 TRP 6 HE1 TRP 6 33.227 1.124 0.450
38 HE3 TRP 6 HE3 TRP 6 29.263 2.692 3.715
39 HZ2 TRP 6 HZ2 TRP 6 34.111 1.749 3.132
40 HZ3 TRP 6 HZ3 TRP 6 30.823 2.978 5.630
41 HH2 TRP 6 HH2 TRP 6 33.242 2.504 5.357
42 HB2 TRP 6 HB2 TRP 6 28.666 2.369 -0.373
43 HB3 TRP 6 HB3 TRP 6 28.238 2.637 1.310
44 H LEU 7 H LEU 7 26.556 1.401 2.665
45 HA LEU 7 HA LEU 7 27.758 -0.222 4.734
46 HG LEU 7 HG LEU 7 27.122 2.693 4.576
47 HB2 LEU 7 HB2 LEU 7 25.069 1.189 4.606
48 HB3 LEU 7 HB3 LEU 7 25.718 0.422 6.054
49 HD11 LEU 7 HD11 LEU 7 24.986 3.467 5.474
50 HD12 LEU 7 HD12 LEU 7 25.378 2.776 7.067
51 HD13 LEU 7 HD13 LEU 7 26.330 4.128 6.418
52 HD21 LEU 7 HD23 LEU 7 28.416 2.916 6.675
53 HD22 LEU 7 HD21 LEU 7 27.577 1.506 7.354
54 HD23 LEU 7 HD22 LEU 7 28.663 1.321 5.961
55 H LYS 8 H LYS 8 24.702 -0.699 2.888
56 HA LYS 8 HA LYS 8 23.853 -2.991 4.246
57 HB2 LYS 8 HB2 LYS 8 22.777 -1.460 2.278
58 HB3 LYS 8 HB3 LYS 8 23.311 -2.808 1.291
59 HG2 LYS 8 HG2 LYS 8 21.031 -3.175 1.889
60 HG3 LYS 8 HG3 LYS 8 21.979 -4.338 2.830
61 HD2 LYS 8 HD2 LYS 8 21.754 -2.942 4.848
62 HD3 LYS 8 HD3 LYS 8 21.061 -1.624 3.901
63 HE2 LYS 8 HE2 LYS 8 19.312 -2.743 5.134
64 HE3 LYS 8 HE3 LYS 8 19.074 -2.975 3.398
65 HZ1 LYS 8 HZ3 LYS 8 18.763 -5.030 4.669
66 HZ2 LYS 8 HZ1 LYS 8 20.017 -5.177 3.611
67 HZ3 LYS 8 HZ2 LYS 8 20.317 -4.963 5.210
68 H ASP 9 H ASP 9 26.060 -2.947 1.445
69 HA ASP 9 HA ASP 9 26.313 -5.817 1.257
70 HB2 ASP 9 HB2 ASP 9 27.891 -3.442 0.229
71 HB3 ASP 9 HB3 ASP 9 28.498 -5.081 0.028
72 H GLY 10 H GLY 10 27.389 -3.880 3.814
73 HA2 GLY 10 HA2 GLY 10 28.583 -5.033 5.644
74 HA3 GLY 10 HA3 GLY 10 29.665 -5.751 4.454
75 H GLY 11 H GLY 11 28.750 -2.376 4.065
76 HA2 GLY 11 HA2 GLY 11 29.986 -0.440 4.100
77 HA3 GLY 11 HA3 GLY 11 30.715 -1.048 5.572
78 HA PRO 12 HA PRO 12 34.226 -0.687 2.740
79 HB2 PRO 12 HB2 PRO 12 36.282 -1.056 4.511
80 HB3 PRO 12 HB3 PRO 12 35.302 0.434 4.470
81 HG2 PRO 12 HG2 PRO 12 34.998 -1.937 6.321
82 HG3 PRO 12 HG3 PRO 12 34.986 -0.191 6.732
83 HD2 PRO 12 HD2 PRO 12 32.702 -1.673 6.388
84 HD3 PRO 12 HD3 PRO 12 32.781 0.063 5.976
85 H SER 13 H SER 13 33.325 -3.579 4.480
86 HA SER 13 HA SER 13 35.461 -5.293 3.594
87 HG SER 13 HG SER 13 35.127 -5.762 5.886
88 HB2 SER 13 HB2 SER 13 32.632 -5.937 4.522
89 HB3 SER 13 HB3 SER 13 33.969 -7.095 4.379
90 H SER 14 H SER 14 33.188 -3.811 1.740
91 HA SER 14 HA SER 14 32.382 -6.040 0.047
92 HG SER 14 HG SER 14 31.118 -3.121 1.596
93 HB2 SER 14 HB2 SER 14 31.760 -3.142 -0.479
94 HB3 SER 14 HB3 SER 14 30.794 -4.580 -0.826
95 H GLY 15 H GLY 15 35.258 -4.561 0.019
96 HA2 GLY 15 HA2 GLY 15 36.950 -4.397 -1.565
97 HA3 GLY 15 HA3 GLY 15 35.874 -5.144 -2.743
98 H ARG 16 H ARG 16 34.623 -2.300 -1.323
99 HA ARG 16 HA ARG 16 35.342 -0.617 -3.676
100 HE ARG 16 HE ARG 16 30.290 -2.189 -3.845
101 HB2 ARG 16 HB2 ARG 16 32.987 0.310 -3.485
102 HB3 ARG 16 HB3 ARG 16 33.201 -1.265 -4.243
103 HG2 ARG 16 HG2 ARG 16 32.196 -2.436 -2.518
104 HG3 ARG 16 HG3 ARG 16 32.611 -1.231 -1.300
105 HD2 ARG 16 HD2 ARG 16 30.397 -0.890 -1.382
106 HD3 ARG 16 HD3 ARG 16 30.939 0.307 -2.583
107 HH11 ARG 16 HH11 ARG 16 28.746 0.558 -2.327
108 HH12 ARG 16 HH12 ARG 16 27.260 0.388 -3.211
109 HH21 ARG 16 HH21 ARG 16 28.323 -2.427 -4.942
110 HH22 ARG 16 HH22 ARG 16 27.034 -1.303 -4.656
111 HA PRO 17 HA PRO 17 36.746 2.130 -0.414
112 HB2 PRO 17 HB2 PRO 17 36.439 4.163 -2.637
113 HB3 PRO 17 HB3 PRO 17 37.790 3.966 -1.477
114 HG2 PRO 17 HG2 PRO 17 38.014 3.030 -4.009
115 HG3 PRO 17 HG3 PRO 17 38.599 2.040 -2.632
116 HD2 PRO 17 HD2 PRO 17 36.014 1.778 -4.175
117 HD3 PRO 17 HD3 PRO 17 37.135 0.506 -3.595
118 HA PRO 18 HA PRO 18 32.971 4.065 1.065
119 HB2 PRO 18 HB2 PRO 18 33.999 6.122 2.642
120 HB3 PRO 18 HB3 PRO 18 33.824 4.424 3.127
121 HG2 PRO 18 HG2 PRO 18 36.276 5.833 2.089
122 HG3 PRO 18 HG3 PRO 18 36.153 4.629 3.412
123 HD2 PRO 18 HD2 PRO 18 37.016 3.963 0.924
124 HD3 PRO 18 HD3 PRO 18 36.018 2.838 1.891
125 HA PRO 19 HA PRO 19 32.820 7.474 -1.966
126 HB2 PRO 19 HB2 PRO 19 30.205 7.367 -2.646
127 HB3 PRO 19 HB3 PRO 19 31.349 6.076 -3.107
128 HG2 PRO 19 HG2 PRO 19 29.407 6.080 -0.779
129 HG3 PRO 19 HG3 PRO 19 29.702 4.786 -1.977
130 HD2 PRO 19 HD2 PRO 19 30.899 4.895 0.526
131 HD3 PRO 19 HD3 PRO 19 31.629 4.088 -0.890
132 H SER 20 H SER 20 33.399 8.515 0.206
133 HA SER 20 HA SER 20 31.389 9.828 1.815
134 HG SER 20 HG SER 20 32.392 11.854 2.407
135 HB2 SER 20 HB2 SER 20 33.731 9.396 2.629
136 HB3 SER 20 HB3 SER 20 34.299 10.648 1.481
Start of MODEL 19
1 HA ASP 1 HA ASP 1 24.139 8.406 -5.018
2 H1 ASP 1 H1 ASP 1 25.045 9.130 -2.960
3 H2 ASP 1 H2 ASP 1 26.590 8.755 -3.438
4 H3 ASP 1 H3 ASP 1 25.757 9.923 -4.241
5 HB2 ASP 1 HB2 ASP 1 27.038 8.015 -5.748
6 HB3 ASP 1 HB3 ASP 1 25.723 7.199 -6.622
7 H ALA 2 H ALA 2 26.792 6.043 -4.495
8 HA ALA 2 HA ALA 2 24.672 4.112 -4.034
9 HB1 ALA 2 HB3 ALA 2 26.327 2.487 -4.583
10 HB2 ALA 2 HB1 ALA 2 26.539 3.860 -5.679
11 HB3 ALA 2 HB2 ALA 2 27.658 3.629 -4.323
12 H TYR 3 H TYR 3 25.665 5.998 -1.754
13 HA TYR 3 HA TYR 3 27.139 4.584 0.159
14 HD1 TYR 3 HD2 TYR 3 28.746 6.381 1.233
15 HD2 TYR 3 HD1 TYR 3 24.896 6.511 3.189
16 HE1 TYR 3 HE2 TYR 3 29.870 6.439 3.456
17 HE2 TYR 3 HE1 TYR 3 26.037 6.639 5.401
18 HH TYR 3 HH TYR 3 28.638 5.699 6.208
19 HB2 TYR 3 HB2 TYR 3 26.594 7.066 0.049
20 HB3 TYR 3 HB3 TYR 3 25.041 6.691 0.784
21 H ALA 4 H ALA 4 23.577 4.742 -0.127
22 HA ALA 4 HA ALA 4 22.872 3.185 2.135
23 HB1 ALA 4 HB3 ALA 4 20.780 2.747 0.817
24 HB2 ALA 4 HB1 ALA 4 21.238 4.459 0.853
25 HB3 ALA 4 HB2 ALA 4 21.548 3.488 -0.603
26 H GLN 5 H GLN 5 23.773 2.144 -1.171
27 HA GLN 5 HA GLN 5 23.366 -0.671 -0.633
28 HB2 GLN 5 HB2 GLN 5 23.420 0.763 -2.900
29 HB3 GLN 5 HB3 GLN 5 25.120 0.332 -2.887
30 HG2 GLN 5 HG2 GLN 5 24.684 -1.815 -3.508
31 HG3 GLN 5 HG3 GLN 5 23.398 -2.015 -2.325
32 HE21 GLN 5 HE22 GLN 5 21.244 -0.638 -2.937
33 HE22 GLN 5 HE21 GLN 5 20.873 -0.826 -4.658
34 H TRP 6 H TRP 6 26.210 1.481 -0.803
35 HA TRP 6 HA TRP 6 28.294 -0.306 -0.280
36 HD1 TRP 6 HD1 TRP 6 30.879 0.943 -1.044
37 HE1 TRP 6 HE1 TRP 6 32.983 0.885 0.439
38 HE3 TRP 6 HE3 TRP 6 28.883 2.931 3.219
39 HZ2 TRP 6 HZ2 TRP 6 33.702 1.666 3.110
40 HZ3 TRP 6 HZ3 TRP 6 30.326 3.342 5.202
41 HH2 TRP 6 HH2 TRP 6 32.729 2.726 5.157
42 HB2 TRP 6 HB2 TRP 6 28.508 2.126 -0.815
43 HB3 TRP 6 HB3 TRP 6 27.967 2.521 0.811
44 H LEU 7 H LEU 7 26.286 1.388 2.178
45 HA LEU 7 HA LEU 7 27.375 -0.018 4.439
46 HG LEU 7 HG LEU 7 26.679 2.855 3.986
47 HB2 LEU 7 HB2 LEU 7 24.661 1.282 3.981
48 HB3 LEU 7 HB3 LEU 7 25.210 0.679 5.544
49 HD11 LEU 7 HD11 LEU 7 24.511 3.710 4.519
50 HD12 LEU 7 HD12 LEU 7 24.556 3.014 6.158
51 HD13 LEU 7 HD13 LEU 7 25.629 4.357 5.733
52 HD21 LEU 7 HD23 LEU 7 27.772 3.331 6.112
53 HD22 LEU 7 HD21 LEU 7 26.868 2.027 6.912
54 HD23 LEU 7 HD22 LEU 7 28.080 1.653 5.665
55 H LYS 8 H LYS 8 24.542 -0.789 2.367
56 HA LYS 8 HA LYS 8 23.609 -3.052 3.780
57 HB2 LYS 8 HB2 LYS 8 22.609 -1.757 1.736
58 HB3 LYS 8 HB3 LYS 8 23.570 -2.871 0.752
59 HG2 LYS 8 HG2 LYS 8 22.386 -4.782 1.979
60 HG3 LYS 8 HG3 LYS 8 21.367 -3.548 2.734
61 HD2 LYS 8 HD2 LYS 8 21.312 -2.941 -0.041
62 HD3 LYS 8 HD3 LYS 8 21.257 -4.698 0.014
63 HE2 LYS 8 HE2 LYS 8 19.418 -2.838 1.591
64 HE3 LYS 8 HE3 LYS 8 19.019 -3.506 0.003
65 HZ1 LYS 8 HZ3 LYS 8 18.078 -4.830 1.795
66 HZ2 LYS 8 HZ1 LYS 8 19.166 -5.718 0.939
67 HZ3 LYS 8 HZ2 LYS 8 19.575 -5.124 2.416
68 H ASP 9 H ASP 9 26.108 -2.924 1.238
69 HA ASP 9 HA ASP 9 26.730 -5.754 1.259
70 HB2 ASP 9 HB2 ASP 9 28.293 -3.291 0.376
71 HB3 ASP 9 HB3 ASP 9 28.896 -4.933 0.186
72 H GLY 10 H GLY 10 27.288 -3.503 3.775
73 HA2 GLY 10 HA2 GLY 10 28.323 -4.161 5.809
74 HA3 GLY 10 HA3 GLY 10 29.454 -5.191 4.942
75 H GLY 11 H GLY 11 29.202 -2.136 3.392
76 HA2 GLY 11 HA2 GLY 11 30.639 -0.444 3.097
77 HA3 GLY 11 HA3 GLY 11 30.539 -0.256 4.838
78 HA PRO 12 HA PRO 12 35.026 -0.843 4.622
79 HB2 PRO 12 HB2 PRO 12 34.770 -1.703 7.491
80 HB3 PRO 12 HB3 PRO 12 35.869 -0.492 6.765
81 HG2 PRO 12 HG2 PRO 12 33.679 0.273 8.189
82 HG3 PRO 12 HG3 PRO 12 34.154 1.146 6.696
83 HD2 PRO 12 HD2 PRO 12 32.016 -0.971 7.037
84 HD3 PRO 12 HD3 PRO 12 31.948 0.577 6.148
85 H SER 13 H SER 13 32.813 -3.348 5.838
86 HA SER 13 HA SER 13 34.748 -5.507 5.948
87 HG SER 13 HG SER 13 33.044 -7.598 5.355
88 HB2 SER 13 HB2 SER 13 32.535 -5.450 7.152
89 HB3 SER 13 HB3 SER 13 31.728 -5.651 5.584
90 H SER 14 H SER 14 32.714 -4.145 3.345
91 HA SER 14 HA SER 14 32.959 -6.425 1.585
92 HG SER 14 HG SER 14 30.320 -5.051 2.117
93 HB2 SER 14 HB2 SER 14 32.306 -3.670 0.629
94 HB3 SER 14 HB3 SER 14 31.533 -5.207 0.204
95 H GLY 15 H GLY 15 34.884 -3.615 2.226
96 HA2 GLY 15 HA2 GLY 15 37.013 -3.071 1.525
97 HA3 GLY 15 HA3 GLY 15 36.984 -4.418 0.390
98 H ARG 16 H ARG 16 34.349 -3.007 -0.650
99 HA ARG 16 HA ARG 16 35.505 -1.522 -2.818
100 HE ARG 16 HE ARG 16 29.610 -2.588 -2.941
101 HB2 ARG 16 HB2 ARG 16 33.166 -0.773 -3.297
102 HB3 ARG 16 HB3 ARG 16 33.457 -2.498 -3.270
103 HG2 ARG 16 HG2 ARG 16 32.567 -1.784 -0.629
104 HG3 ARG 16 HG3 ARG 16 31.540 -0.931 -1.763
105 HD2 ARG 16 HD2 ARG 16 32.048 -3.925 -1.925
106 HD3 ARG 16 HD3 ARG 16 30.721 -3.194 -1.027
107 HH11 ARG 16 HH11 ARG 16 32.472 -4.398 -3.831
108 HH12 ARG 16 HH12 ARG 16 31.961 -4.605 -5.484
109 HH21 ARG 16 HH21 ARG 16 29.023 -2.818 -5.052
110 HH22 ARG 16 HH22 ARG 16 30.033 -3.696 -6.164
111 HA PRO 17 HA PRO 17 36.411 2.317 -0.713
112 HB2 PRO 17 HB2 PRO 17 35.976 3.503 -3.457
113 HB3 PRO 17 HB3 PRO 17 37.301 3.807 -2.293
114 HG2 PRO 17 HG2 PRO 17 37.680 2.162 -4.418
115 HG3 PRO 17 HG3 PRO 17 38.338 1.726 -2.808
116 HD2 PRO 17 HD2 PRO 17 35.833 0.704 -4.157
117 HD3 PRO 17 HD3 PRO 17 37.077 -0.185 -3.220
118 HA PRO 18 HA PRO 18 32.197 3.782 -0.078
119 HB2 PRO 18 HB2 PRO 18 32.722 6.077 1.436
120 HB3 PRO 18 HB3 PRO 18 32.576 4.417 2.057
121 HG2 PRO 18 HG2 PRO 18 35.073 5.957 1.364
122 HG3 PRO 18 HG3 PRO 18 34.787 4.861 2.754
123 HD2 PRO 18 HD2 PRO 18 36.174 4.084 0.545
124 HD3 PRO 18 HD3 PRO 18 35.104 2.945 1.419
125 HA PRO 19 HA PRO 19 32.006 6.940 -3.299
126 HB2 PRO 19 HB2 PRO 19 29.328 7.068 -3.683
127 HB3 PRO 19 HB3 PRO 19 30.278 5.613 -4.120
128 HG2 PRO 19 HG2 PRO 19 28.631 6.074 -1.611
129 HG3 PRO 19 HG3 PRO 19 28.669 4.631 -2.661
130 HD2 PRO 19 HD2 PRO 19 30.135 4.860 -0.341
131 HD3 PRO 19 HD3 PRO 19 30.649 3.864 -1.737
132 H SER 20 H SER 20 32.582 8.940 -2.682
133 HA SER 20 HA SER 20 30.838 10.573 -0.887
134 HG SER 20 HG SER 20 33.854 9.791 0.860
135 HB2 SER 20 HB2 SER 20 33.861 10.607 -1.202
136 HB3 SER 20 HB3 SER 20 32.911 11.742 -0.222
Start of MODEL 20
1 HA ASP 1 HA ASP 1 23.344 8.177 -4.943
2 H1 ASP 1 H1 ASP 1 24.559 8.742 -2.962
3 H2 ASP 1 H2 ASP 1 26.000 8.569 -3.754
4 H3 ASP 1 H3 ASP 1 24.948 9.746 -4.214
5 HB2 ASP 1 HB2 ASP 1 25.161 9.008 -6.457
6 HB3 ASP 1 HB3 ASP 1 26.052 7.514 -6.152
7 H ALA 2 H ALA 2 26.023 5.867 -5.113
8 HA ALA 2 HA ALA 2 24.351 3.790 -4.150
9 HB1 ALA 2 HB3 ALA 2 26.294 2.394 -4.704
10 HB2 ALA 2 HB1 ALA 2 25.978 3.597 -5.964
11 HB3 ALA 2 HB2 ALA 2 27.321 3.847 -4.823
12 H TYR 3 H TYR 3 25.565 5.914 -2.057
13 HA TYR 3 HA TYR 3 27.233 4.474 -0.276
14 HD1 TYR 3 HD2 TYR 3 26.234 5.615 2.975
15 HD2 TYR 3 HD1 TYR 3 28.932 7.290 0.050
16 HE1 TYR 3 HE2 TYR 3 28.013 5.788 4.701
17 HE2 TYR 3 HE1 TYR 3 30.705 7.428 1.765
18 HH TYR 3 HH TYR 3 30.087 6.845 5.173
19 HB2 TYR 3 HB2 TYR 3 26.661 7.040 -0.487
20 HB3 TYR 3 HB3 TYR 3 25.436 6.683 0.718
21 H ALA 4 H ALA 4 23.676 4.775 -0.298
22 HA ALA 4 HA ALA 4 23.125 3.492 2.185
23 HB1 ALA 4 HB3 ALA 4 20.906 3.069 1.191
24 HB2 ALA 4 HB1 ALA 4 21.449 4.718 0.830
25 HB3 ALA 4 HB2 ALA 4 21.532 3.462 -0.426
26 H GLN 5 H GLN 5 23.678 2.132 -1.083
27 HA GLN 5 HA GLN 5 23.352 -0.610 -0.241
28 HB2 GLN 5 HB2 GLN 5 23.209 0.484 -2.655
29 HB3 GLN 5 HB3 GLN 5 24.947 0.131 -2.688
30 HG2 GLN 5 HG2 GLN 5 24.387 -2.252 -2.013
31 HG3 GLN 5 HG3 GLN 5 22.671 -1.835 -2.131
32 HE21 GLN 5 HE22 GLN 5 24.452 -3.795 -3.700
33 HE22 GLN 5 HE21 GLN 5 24.056 -3.314 -5.361
34 H TRP 6 H TRP 6 26.191 1.516 -0.731
35 HA TRP 6 HA TRP 6 28.244 -0.300 -0.123
36 HD1 TRP 6 HD1 TRP 6 30.867 0.850 -1.153
37 HE1 TRP 6 HE1 TRP 6 33.026 0.829 0.272
38 HE3 TRP 6 HE3 TRP 6 29.043 2.858 3.200
39 HZ2 TRP 6 HZ2 TRP 6 33.881 1.755 2.795
40 HZ3 TRP 6 HZ3 TRP 6 30.580 3.282 5.111
41 HH2 TRP 6 HH2 TRP 6 32.999 2.759 4.916
42 HB2 TRP 6 HB2 TRP 6 28.508 2.085 -0.847
43 HB3 TRP 6 HB3 TRP 6 28.082 2.597 0.781
44 H LEU 7 H LEU 7 26.299 1.559 2.281
45 HA LEU 7 HA LEU 7 27.487 0.280 4.570
46 HG LEU 7 HG LEU 7 26.834 3.113 4.047
47 HB2 LEU 7 HB2 LEU 7 24.779 1.600 4.179
48 HB3 LEU 7 HB3 LEU 7 25.371 1.038 5.741
49 HD11 LEU 7 HD11 LEU 7 24.645 3.967 4.721
50 HD12 LEU 7 HD12 LEU 7 24.939 3.470 6.403
51 HD13 LEU 7 HD13 LEU 7 25.920 4.755 5.668
52 HD21 LEU 7 HD23 LEU 7 28.011 3.620 6.164
53 HD22 LEU 7 HD21 LEU 7 27.142 2.302 6.976
54 HD23 LEU 7 HD22 LEU 7 28.303 1.950 5.680
55 H LYS 8 H LYS 8 24.562 -0.650 2.705
56 HA LYS 8 HA LYS 8 23.687 -2.819 4.326
57 HB2 LYS 8 HB2 LYS 8 23.574 -2.333 1.343
58 HB3 LYS 8 HB3 LYS 8 22.852 -3.759 2.055
59 HG2 LYS 8 HG2 LYS 8 21.162 -2.612 3.128
60 HG3 LYS 8 HG3 LYS 8 22.054 -1.091 3.210
61 HD2 LYS 8 HD2 LYS 8 21.196 -0.360 1.261
62 HD3 LYS 8 HD3 LYS 8 21.683 -1.831 0.420
63 HE2 LYS 8 HE2 LYS 8 19.569 -2.880 1.580
64 HE3 LYS 8 HE3 LYS 8 19.058 -1.189 1.730
65 HZ1 LYS 8 HZ3 LYS 8 18.299 -2.141 -0.361
66 HZ2 LYS 8 HZ1 LYS 8 19.425 -0.984 -0.688
67 HZ3 LYS 8 HZ2 LYS 8 19.828 -2.572 -0.778
68 H ASP 9 H ASP 9 26.203 -2.859 1.794
69 HA ASP 9 HA ASP 9 26.772 -5.696 2.128
70 HB2 ASP 9 HB2 ASP 9 28.250 -3.452 0.708
71 HB3 ASP 9 HB3 ASP 9 28.720 -5.156 0.664
72 H GLY 10 H GLY 10 27.065 -3.750 4.589
73 HA2 GLY 10 HA2 GLY 10 28.302 -4.031 6.550
74 HA3 GLY 10 HA3 GLY 10 29.422 -5.107 5.711
75 H GLY 11 H GLY 11 28.618 -1.946 4.430
76 HA2 GLY 11 HA2 GLY 11 29.835 -0.060 3.986
77 HA3 GLY 11 HA3 GLY 11 30.589 -0.271 5.555
78 HA PRO 12 HA PRO 12 34.118 -0.870 2.795
79 HB2 PRO 12 HB2 PRO 12 36.154 -0.903 4.610
80 HB3 PRO 12 HB3 PRO 12 35.245 0.576 4.204
81 HG2 PRO 12 HG2 PRO 12 34.905 -1.221 6.605
82 HG3 PRO 12 HG3 PRO 12 34.890 0.570 6.528
83 HD2 PRO 12 HD2 PRO 12 32.619 -1.045 6.563
84 HD3 PRO 12 HD3 PRO 12 32.660 0.607 5.896
85 H SER 13 H SER 13 32.855 -3.192 4.955
86 HA SER 13 HA SER 13 34.836 -5.148 5.169
87 HG SER 13 HG SER 13 31.983 -4.278 6.520
88 HB2 SER 13 HB2 SER 13 31.854 -5.672 4.867
89 HB3 SER 13 HB3 SER 13 33.061 -6.733 5.618
90 H SER 14 H SER 14 32.577 -4.675 2.434
91 HA SER 14 HA SER 14 33.335 -6.927 0.902
92 HG SER 14 HG SER 14 31.428 -3.672 0.803
93 HB2 SER 14 HB2 SER 14 32.586 -4.653 -0.765
94 HB3 SER 14 HB3 SER 14 31.745 -6.171 -0.460
95 H GLY 15 H GLY 15 35.378 -4.304 1.661
96 HA2 GLY 15 HA2 GLY 15 37.470 -3.776 0.828
97 HA3 GLY 15 HA3 GLY 15 37.249 -4.912 -0.503
98 H ARG 16 H ARG 16 34.585 -2.853 -0.391
99 HA ARG 16 HA ARG 16 35.549 -1.375 -2.757
100 HE ARG 16 HE ARG 16 30.311 -1.394 -3.049
101 HB2 ARG 16 HB2 ARG 16 33.342 -2.653 -2.646
102 HB3 ARG 16 HB3 ARG 16 32.720 -1.374 -1.594
103 HG2 ARG 16 HG2 ARG 16 32.937 0.278 -3.366
104 HG3 ARG 16 HG3 ARG 16 33.969 -0.807 -4.308
105 HD2 ARG 16 HD2 ARG 16 32.013 -0.958 -5.467
106 HD3 ARG 16 HD3 ARG 16 31.977 -2.398 -4.476
107 HH11 ARG 16 HH11 ARG 16 30.865 0.472 -5.964
108 HH12 ARG 16 HH12 ARG 16 29.278 1.182 -5.951
109 HH21 ARG 16 HH21 ARG 16 28.275 -0.455 -3.061
110 HH22 ARG 16 HH22 ARG 16 27.865 0.688 -4.299
111 HA PRO 17 HA PRO 17 36.200 2.194 -0.156
112 HB2 PRO 17 HB2 PRO 17 36.605 4.190 -2.004
113 HB3 PRO 17 HB3 PRO 17 37.790 2.894 -1.658
114 HG2 PRO 17 HG2 PRO 17 35.780 3.036 -3.917
115 HG3 PRO 17 HG3 PRO 17 37.511 2.575 -3.991
116 HD2 PRO 17 HD2 PRO 17 35.469 0.753 -3.884
117 HD3 PRO 17 HD3 PRO 17 37.071 0.427 -3.160
118 HA PRO 18 HA PRO 18 32.211 4.102 0.254
119 HB2 PRO 18 HB2 PRO 18 32.780 6.389 1.689
120 HB3 PRO 18 HB3 PRO 18 32.769 4.739 2.364
121 HG2 PRO 18 HG2 PRO 18 35.134 6.365 1.408
122 HG3 PRO 18 HG3 PRO 18 34.990 5.378 2.898
123 HD2 PRO 18 HD2 PRO 18 36.238 4.466 0.647
124 HD3 PRO 18 HD3 PRO 18 35.301 3.376 1.711
125 HA PRO 19 HA PRO 19 32.344 7.024 -3.214
126 HB2 PRO 19 HB2 PRO 19 29.771 6.907 -4.041
127 HB3 PRO 19 HB3 PRO 19 30.883 5.516 -4.197
128 HG2 PRO 19 HG2 PRO 19 28.820 6.000 -2.022
129 HG3 PRO 19 HG3 PRO 19 29.099 4.508 -2.970
130 HD2 PRO 19 HD2 PRO 19 30.177 4.937 -0.465
131 HD3 PRO 19 HD3 PRO 19 30.985 3.942 -1.712
132 H SER 20 H SER 20 32.915 8.824 -1.898
133 HA SER 20 HA SER 20 30.697 10.725 -1.241
134 HG SER 20 HG SER 20 31.854 9.832 1.954
135 HB2 SER 20 HB2 SER 20 33.326 10.284 0.223
136 HB3 SER 20 HB3 SER 20 32.183 11.605 0.536
Start of MODEL 21
1 HA ASP 1 HA ASP 1 24.341 8.578 -4.150
2 H1 ASP 1 H1 ASP 1 23.294 8.080 -6.227
3 H2 ASP 1 H2 ASP 1 21.890 7.673 -5.479
4 H3 ASP 1 H3 ASP 1 22.409 9.246 -5.453
5 HB2 ASP 1 HB2 ASP 1 22.103 9.358 -3.168
6 HB3 ASP 1 HB3 ASP 1 21.763 7.657 -2.830
7 H ALA 2 H ALA 2 25.622 6.896 -3.408
8 HA ALA 2 HA ALA 2 24.684 4.097 -3.876
9 HB1 ALA 2 HB3 ALA 2 27.038 3.569 -4.480
10 HB2 ALA 2 HB1 ALA 2 26.269 4.706 -5.602
11 HB3 ALA 2 HB2 ALA 2 27.429 5.302 -4.401
12 H TYR 3 H TYR 3 25.234 6.217 -1.390
13 HA TYR 3 HA TYR 3 27.187 4.805 0.204
14 HD1 TYR 3 HD2 TYR 3 26.235 5.317 3.383
15 HD2 TYR 3 HD1 TYR 3 28.413 8.036 0.829
16 HE1 TYR 3 HE2 TYR 3 28.056 5.474 5.081
17 HE2 TYR 3 HE1 TYR 3 30.219 8.182 2.515
18 HH TYR 3 HH TYR 3 31.096 6.609 4.435
19 HB2 TYR 3 HB2 TYR 3 26.282 7.325 0.194
20 HB3 TYR 3 HB3 TYR 3 25.150 6.694 1.374
21 H ALA 4 H ALA 4 23.625 4.885 0.091
22 HA ALA 4 HA ALA 4 23.078 3.171 2.294
23 HB1 ALA 4 HB3 ALA 4 20.931 2.738 1.130
24 HB2 ALA 4 HB1 ALA 4 21.345 4.463 1.120
25 HB3 ALA 4 HB2 ALA 4 21.575 3.485 -0.348
26 H GLN 5 H GLN 5 23.824 2.334 -1.114
27 HA GLN 5 HA GLN 5 23.571 -0.511 -0.759
28 HB2 GLN 5 HB2 GLN 5 23.539 0.846 -2.957
29 HB3 GLN 5 HB3 GLN 5 25.299 0.860 -2.841
30 HG2 GLN 5 HG2 GLN 5 24.487 -1.866 -2.402
31 HG3 GLN 5 HG3 GLN 5 23.487 -1.263 -3.717
32 HE21 GLN 5 HE22 GLN 5 24.570 -0.634 -5.781
33 HE22 GLN 5 HE21 GLN 5 26.249 -1.183 -5.956
34 H TRP 6 H TRP 6 26.410 1.724 -0.704
35 HA TRP 6 HA TRP 6 28.424 -0.148 -0.158
36 HD1 TRP 6 HD1 TRP 6 31.069 1.018 -0.869
37 HE1 TRP 6 HE1 TRP 6 33.169 0.914 0.645
38 HE3 TRP 6 HE3 TRP 6 29.010 2.702 3.505
39 HZ2 TRP 6 HZ2 TRP 6 33.874 1.653 3.298
40 HZ3 TRP 6 HZ3 TRP 6 30.430 2.981 5.529
41 HH2 TRP 6 HH2 TRP 6 32.863 2.488 5.432
42 HB2 TRP 6 HB2 TRP 6 28.717 2.296 -0.607
43 HB3 TRP 6 HB3 TRP 6 28.177 2.641 1.030
44 H LEU 7 H LEU 7 26.297 1.447 2.275
45 HA LEU 7 HA LEU 7 27.340 -0.022 4.520
46 HG LEU 7 HG LEU 7 26.620 2.830 4.158
47 HB2 LEU 7 HB2 LEU 7 24.612 1.235 4.053
48 HB3 LEU 7 HB3 LEU 7 25.144 0.584 5.602
49 HD11 LEU 7 HD11 LEU 7 24.355 3.564 4.694
50 HD12 LEU 7 HD12 LEU 7 24.522 2.966 6.361
51 HD13 LEU 7 HD13 LEU 7 25.512 4.330 5.796
52 HD21 LEU 7 HD23 LEU 7 27.627 3.249 6.356
53 HD22 LEU 7 HD21 LEU 7 26.729 1.887 7.056
54 HD23 LEU 7 HD22 LEU 7 27.989 1.602 5.835
55 H LYS 8 H LYS 8 24.699 -0.866 2.254
56 HA LYS 8 HA LYS 8 23.724 -3.177 3.614
57 HB2 LYS 8 HB2 LYS 8 23.553 -2.099 0.835
58 HB3 LYS 8 HB3 LYS 8 23.468 -3.846 0.935
59 HG2 LYS 8 HG2 LYS 8 21.240 -3.135 1.052
60 HG3 LYS 8 HG3 LYS 8 21.667 -3.590 2.703
61 HD2 LYS 8 HD2 LYS 8 22.149 -1.063 3.083
62 HD3 LYS 8 HD3 LYS 8 21.378 -0.804 1.509
63 HE2 LYS 8 HE2 LYS 8 19.669 -2.553 2.995
64 HE3 LYS 8 HE3 LYS 8 20.209 -1.324 4.142
65 HZ1 LYS 8 HZ3 LYS 8 18.207 -0.624 3.015
66 HZ2 LYS 8 HZ1 LYS 8 19.443 0.365 2.565
67 HZ3 LYS 8 HZ2 LYS 8 18.905 -0.802 1.537
68 H ASP 9 H ASP 9 26.451 -2.949 1.357
69 HA ASP 9 HA ASP 9 27.093 -5.779 1.572
70 HB2 ASP 9 HB2 ASP 9 28.404 -3.392 0.237
71 HB3 ASP 9 HB3 ASP 9 29.109 -5.011 0.212
72 H GLY 10 H GLY 10 27.123 -4.210 4.102
73 HA2 GLY 10 HA2 GLY 10 28.205 -4.500 6.121
74 HA3 GLY 10 HA3 GLY 10 29.463 -5.443 5.316
75 H GLY 11 H GLY 11 28.619 -2.211 4.223
76 HA2 GLY 11 HA2 GLY 11 29.791 -0.260 4.050
77 HA3 GLY 11 HA3 GLY 11 30.415 -0.564 5.665
78 HA PRO 12 HA PRO 12 34.185 -0.996 3.195
79 HB2 PRO 12 HB2 PRO 12 36.059 -1.114 5.168
80 HB3 PRO 12 HB3 PRO 12 35.159 0.376 4.776
81 HG2 PRO 12 HG2 PRO 12 34.658 -1.564 7.034
82 HG3 PRO 12 HG3 PRO 12 34.615 0.228 7.057
83 HD2 PRO 12 HD2 PRO 12 32.383 -1.431 6.802
84 HD3 PRO 12 HD3 PRO 12 32.441 0.268 6.266
85 H SER 13 H SER 13 32.741 -3.454 5.056
86 HA SER 13 HA SER 13 34.727 -5.408 5.370
87 HG SER 13 HG SER 13 31.784 -4.632 6.489
88 HB2 SER 13 HB2 SER 13 31.794 -5.917 4.734
89 HB3 SER 13 HB3 SER 13 32.924 -7.037 5.516
90 H SER 14 H SER 14 32.823 -4.695 2.455
91 HA SER 14 HA SER 14 33.714 -6.977 0.918
92 HG SER 14 HG SER 14 30.933 -4.924 1.346
93 HB2 SER 14 HB2 SER 14 32.738 -5.049 -0.841
94 HB3 SER 14 HB3 SER 14 31.811 -6.353 -0.106
95 H GLY 15 H GLY 15 35.475 -4.253 1.899
96 HA2 GLY 15 HA2 GLY 15 37.535 -3.492 1.213
97 HA3 GLY 15 HA3 GLY 15 37.530 -4.658 -0.110
98 H ARG 16 H ARG 16 34.749 -2.728 -0.148
99 HA ARG 16 HA ARG 16 35.568 -1.302 -2.576
100 HE ARG 16 HE ARG 16 31.927 0.899 -4.852
101 HB2 ARG 16 HB2 ARG 16 33.372 -2.481 -2.346
102 HB3 ARG 16 HB3 ARG 16 32.953 -1.422 -1.010
103 HG2 ARG 16 HG2 ARG 16 31.776 -0.461 -2.716
104 HG3 ARG 16 HG3 ARG 16 33.228 0.533 -2.760
105 HD2 ARG 16 HD2 ARG 16 34.086 -0.790 -4.668
106 HD3 ARG 16 HD3 ARG 16 32.692 -1.884 -4.530
107 HH11 ARG 16 HH11 ARG 16 32.811 -1.933 -6.692
108 HH12 ARG 16 HH12 ARG 16 31.889 -1.464 -8.096
109 HH21 ARG 16 HH21 ARG 16 30.727 1.472 -6.659
110 HH22 ARG 16 HH22 ARG 16 30.739 0.451 -8.063
111 HA PRO 17 HA PRO 17 36.373 2.444 -0.154
112 HB2 PRO 17 HB2 PRO 17 36.618 4.292 -2.185
113 HB3 PRO 17 HB3 PRO 17 37.894 3.128 -1.720
114 HG2 PRO 17 HG2 PRO 17 35.917 2.933 -3.995
115 HG3 PRO 17 HG3 PRO 17 37.663 2.530 -3.990
116 HD2 PRO 17 HD2 PRO 17 35.652 0.663 -3.729
117 HD3 PRO 17 HD3 PRO 17 37.273 0.446 -3.002
118 HA PRO 18 HA PRO 18 32.155 3.919 0.046
119 HB2 PRO 18 HB2 PRO 18 32.455 6.168 1.649
120 HB3 PRO 18 HB3 PRO 18 32.418 4.486 2.241
121 HG2 PRO 18 HG2 PRO 18 34.826 6.218 1.651
122 HG3 PRO 18 HG3 PRO 18 34.545 5.143 3.059
123 HD2 PRO 18 HD2 PRO 18 36.081 4.389 0.941
124 HD3 PRO 18 HD3 PRO 18 35.035 3.214 1.794
125 HA PRO 19 HA PRO 19 32.106 7.148 -3.085
126 HB2 PRO 19 HB2 PRO 19 29.436 7.532 -3.391
127 HB3 PRO 19 HB3 PRO 19 30.252 6.016 -3.881
128 HG2 PRO 19 HG2 PRO 19 28.688 6.547 -1.341
129 HG3 PRO 19 HG3 PRO 19 28.618 5.119 -2.418
130 HD2 PRO 19 HD2 PRO 19 30.119 5.222 -0.102
131 HD3 PRO 19 HD3 PRO 19 30.535 4.198 -1.510
132 H SER 20 H SER 20 32.900 9.070 -2.501
133 HA SER 20 HA SER 20 31.319 10.980 -0.862
134 HG SER 20 HG SER 20 32.236 11.269 1.142
135 HB2 SER 20 HB2 SER 20 34.172 10.057 -0.551
136 HB3 SER 20 HB3 SER 20 33.862 11.792 -0.391
Start of MODEL 22
1 HA ASP 1 HA ASP 1 22.968 7.973 -4.138
2 H1 ASP 1 H1 ASP 1 20.963 6.649 -4.081
3 H2 ASP 1 H2 ASP 1 20.956 6.674 -2.439
4 H3 ASP 1 H3 ASP 1 20.736 8.085 -3.266
5 HB2 ASP 1 HB2 ASP 1 22.494 7.931 -1.149
6 HB3 ASP 1 HB3 ASP 1 24.124 8.167 -1.812
7 H ALA 2 H ALA 2 25.049 7.002 -4.124
8 HA ALA 2 HA ALA 2 25.084 4.148 -4.220
9 HB1 ALA 2 HB3 ALA 2 27.510 4.495 -4.571
10 HB2 ALA 2 HB1 ALA 2 26.546 5.586 -5.575
11 HB3 ALA 2 HB2 ALA 2 27.329 6.206 -4.108
12 H TYR 3 H TYR 3 25.826 6.421 -1.598
13 HA TYR 3 HA TYR 3 27.272 4.720 0.117
14 HD1 TYR 3 HD2 TYR 3 28.966 6.455 1.326
15 HD2 TYR 3 HD1 TYR 3 25.189 6.145 3.393
16 HE1 TYR 3 HE2 TYR 3 30.170 6.169 3.493
17 HE2 TYR 3 HE1 TYR 3 26.410 5.923 5.562
18 HH TYR 3 HH TYR 3 29.106 4.945 6.083
19 HB2 TYR 3 HB2 TYR 3 26.792 7.240 0.315
20 HB3 TYR 3 HB3 TYR 3 25.258 6.791 1.051
21 H ALA 4 H ALA 4 23.761 4.905 -0.438
22 HA ALA 4 HA ALA 4 22.899 3.333 1.783
23 HB1 ALA 4 HB3 ALA 4 20.823 3.199 0.619
24 HB2 ALA 4 HB1 ALA 4 21.497 4.775 0.158
25 HB3 ALA 4 HB2 ALA 4 21.591 3.403 -0.968
26 H GLN 5 H GLN 5 24.059 2.456 -1.471
27 HA GLN 5 HA GLN 5 23.564 -0.386 -1.116
28 HB2 GLN 5 HB2 GLN 5 23.826 1.051 -3.347
29 HB3 GLN 5 HB3 GLN 5 25.540 0.701 -3.126
30 HG2 GLN 5 HG2 GLN 5 24.105 -1.779 -2.695
31 HG3 GLN 5 HG3 GLN 5 23.397 -1.004 -4.106
32 HE21 GLN 5 HE22 GLN 5 26.439 -2.606 -2.807
33 HE22 GLN 5 HE21 GLN 5 27.068 -2.649 -4.426
34 H TRP 6 H TRP 6 26.404 1.786 -0.871
35 HA TRP 6 HA TRP 6 28.402 -0.121 -0.334
36 HD1 TRP 6 HD1 TRP 6 31.040 0.960 -0.914
37 HE1 TRP 6 HE1 TRP 6 33.130 0.919 0.629
38 HE3 TRP 6 HE3 TRP 6 28.914 2.810 3.353
39 HZ2 TRP 6 HZ2 TRP 6 33.762 1.668 3.295
40 HZ3 TRP 6 HZ3 TRP 6 30.287 3.088 5.413
41 HH2 TRP 6 HH2 TRP 6 32.706 2.547 5.392
42 HB2 TRP 6 HB2 TRP 6 28.692 2.361 -0.708
43 HB3 TRP 6 HB3 TRP 6 28.121 2.635 0.931
44 H LEU 7 H LEU 7 26.182 1.428 2.023
45 HA LEU 7 HA LEU 7 27.156 0.030 4.336
46 HG LEU 7 HG LEU 7 26.304 2.827 3.885
47 HB2 LEU 7 HB2 LEU 7 24.387 1.111 3.668
48 HB3 LEU 7 HB3 LEU 7 24.856 0.528 5.265
49 HD11 LEU 7 HD11 LEU 7 24.054 3.562 4.124
50 HD12 LEU 7 HD12 LEU 7 23.876 2.787 5.716
51 HD13 LEU 7 HD13 LEU 7 24.905 4.215 5.534
52 HD21 LEU 7 HD23 LEU 7 27.198 3.325 6.032
53 HD22 LEU 7 HD21 LEU 7 26.151 2.136 6.838
54 HD23 LEU 7 HD22 LEU 7 27.478 1.600 5.787
55 H LYS 8 H LYS 8 24.767 -0.917 1.905
56 HA LYS 8 HA LYS 8 23.712 -3.257 3.168
57 HB2 LYS 8 HB2 LYS 8 23.432 -1.880 0.689
58 HB3 LYS 8 HB3 LYS 8 23.966 -3.497 0.251
59 HG2 LYS 8 HG2 LYS 8 22.093 -4.510 1.375
60 HG3 LYS 8 HG3 LYS 8 21.632 -2.981 2.146
61 HD2 LYS 8 HD2 LYS 8 21.787 -3.174 -0.879
62 HD3 LYS 8 HD3 LYS 8 20.358 -3.774 -0.040
63 HE2 LYS 8 HE2 LYS 8 21.372 -1.049 0.744
64 HE3 LYS 8 HE3 LYS 8 20.640 -1.184 -0.857
65 HZ1 LYS 8 HZ3 LYS 8 19.234 -0.804 1.377
66 HZ2 LYS 8 HZ1 LYS 8 18.612 -1.506 0.024
67 HZ3 LYS 8 HZ2 LYS 8 19.144 -2.441 1.265
68 H ASP 9 H ASP 9 26.708 -2.715 1.428
69 HA ASP 9 HA ASP 9 27.362 -5.564 1.299
70 HB2 ASP 9 HB2 ASP 9 29.203 -3.252 0.650
71 HB3 ASP 9 HB3 ASP 9 29.247 -4.923 0.069
72 H GLY 10 H GLY 10 27.064 -4.109 3.994
73 HA2 GLY 10 HA2 GLY 10 27.965 -4.311 6.100
74 HA3 GLY 10 HA3 GLY 10 29.263 -5.312 5.462
75 H GLY 11 H GLY 11 28.575 -2.117 4.148
76 HA2 GLY 11 HA2 GLY 11 29.752 -0.145 4.105
77 HA3 GLY 11 HA3 GLY 11 30.299 -0.508 5.740
78 HA PRO 12 HA PRO 12 34.162 -0.948 3.396
79 HB2 PRO 12 HB2 PRO 12 35.967 -0.760 5.412
80 HB3 PRO 12 HB3 PRO 12 34.963 0.620 4.905
81 HG2 PRO 12 HG2 PRO 12 34.567 -1.191 7.281
82 HG3 PRO 12 HG3 PRO 12 34.362 0.586 7.166
83 HD2 PRO 12 HD2 PRO 12 32.312 -1.334 6.952
84 HD3 PRO 12 HD3 PRO 12 32.202 0.361 6.400
85 H SER 13 H SER 13 32.606 -3.439 4.973
86 HA SER 13 HA SER 13 34.798 -5.221 5.547
87 HG SER 13 HG SER 13 31.622 -6.540 4.140
88 HB2 SER 13 HB2 SER 13 33.096 -6.943 5.772
89 HB3 SER 13 HB3 SER 13 32.579 -5.449 6.578
90 H SER 14 H SER 14 32.858 -4.665 2.592
91 HA SER 14 HA SER 14 33.882 -6.953 1.164
92 HG SER 14 HG SER 14 31.094 -5.275 1.376
93 HB2 SER 14 HB2 SER 14 33.100 -4.820 -0.611
94 HB3 SER 14 HB3 SER 14 32.293 -6.355 -0.313
95 H GLY 15 H GLY 15 35.468 -4.099 2.096
96 HA2 GLY 15 HA2 GLY 15 37.581 -3.322 1.549
97 HA3 GLY 15 HA3 GLY 15 37.719 -4.572 0.310
98 H ARG 16 H ARG 16 34.924 -2.541 0.116
99 HA ARG 16 HA ARG 16 35.904 -1.323 -2.389
100 HE ARG 16 HE ARG 16 31.189 0.046 -4.414
101 HB2 ARG 16 HB2 ARG 16 33.760 -2.478 -2.422
102 HB3 ARG 16 HB3 ARG 16 33.173 -1.525 -1.075
103 HG2 ARG 16 HG2 ARG 16 32.186 -0.213 -2.551
104 HG3 ARG 16 HG3 ARG 16 33.727 0.499 -2.908
105 HD2 ARG 16 HD2 ARG 16 33.836 -0.395 -4.978
106 HD3 ARG 16 HD3 ARG 16 33.275 -1.983 -4.432
107 HH11 ARG 16 HH11 ARG 16 32.730 -2.354 -6.396
108 HH12 ARG 16 HH12 ARG 16 31.349 -2.587 -7.436
109 HH21 ARG 16 HH21 ARG 16 29.395 -0.263 -5.727
110 HH22 ARG 16 HH22 ARG 16 29.478 -1.389 -7.042
111 HA PRO 17 HA PRO 17 36.549 2.532 -0.241
112 HB2 PRO 17 HB2 PRO 17 36.745 4.263 -2.407
113 HB3 PRO 17 HB3 PRO 17 38.053 3.217 -1.784
114 HG2 PRO 17 HG2 PRO 17 36.304 2.804 -4.183
115 HG3 PRO 17 HG3 PRO 17 38.008 2.325 -3.926
116 HD2 PRO 17 HD2 PRO 17 35.785 0.649 -3.716
117 HD3 PRO 17 HD3 PRO 17 37.383 0.308 -3.002
118 HA PRO 18 HA PRO 18 32.301 3.943 0.012
119 HB2 PRO 18 HB2 PRO 18 32.720 6.332 1.424
120 HB3 PRO 18 HB3 PRO 18 32.545 4.698 2.127
121 HG2 PRO 18 HG2 PRO 18 35.079 6.210 1.461
122 HG3 PRO 18 HG3 PRO 18 34.715 5.232 2.921
123 HD2 PRO 18 HD2 PRO 18 36.214 4.257 0.909
124 HD3 PRO 18 HD3 PRO 18 35.021 3.204 1.733
125 HA PRO 19 HA PRO 19 32.254 6.882 -3.408
126 HB2 PRO 19 HB2 PRO 19 29.621 6.894 -4.001
127 HB3 PRO 19 HB3 PRO 19 30.613 5.423 -4.203
128 HG2 PRO 19 HG2 PRO 19 28.777 6.123 -1.887
129 HG3 PRO 19 HG3 PRO 19 28.923 4.565 -2.760
130 HD2 PRO 19 HD2 PRO 19 30.195 5.129 -0.372
131 HD3 PRO 19 HD3 PRO 19 30.795 3.949 -1.578
132 H SER 20 H SER 20 33.034 8.616 -1.974
133 HA SER 20 HA SER 20 30.988 10.734 -1.545
134 HG SER 20 HG SER 20 31.206 9.436 1.755
135 HB2 SER 20 HB2 SER 20 33.081 9.880 0.489
136 HB3 SER 20 HB3 SER 20 32.016 11.296 0.618
Start of MODEL 23
1 HA ASP 1 HA ASP 1 25.572 8.444 -4.282
2 H1 ASP 1 H1 ASP 1 25.221 8.347 -6.604
3 H2 ASP 1 H2 ASP 1 23.593 8.112 -6.420
4 H3 ASP 1 H3 ASP 1 24.261 9.565 -5.989
5 HB2 ASP 1 HB2 ASP 1 22.538 8.474 -4.165
6 HB3 ASP 1 HB3 ASP 1 23.578 8.212 -2.753
7 H ALA 2 H ALA 2 26.222 6.574 -3.372
8 HA ALA 2 HA ALA 2 24.642 4.084 -3.787
9 HB1 ALA 2 HB3 ALA 2 26.696 2.873 -4.380
10 HB2 ALA 2 HB1 ALA 2 26.367 4.178 -5.530
11 HB3 ALA 2 HB2 ALA 2 27.630 4.384 -4.301
12 H TYR 3 H TYR 3 25.730 6.119 -1.478
13 HA TYR 3 HA TYR 3 27.335 4.562 0.236
14 HD1 TYR 3 HD1 TYR 3 26.413 5.299 3.416
15 HD2 TYR 3 HD2 TYR 3 28.902 7.659 0.798
16 HE1 TYR 3 HE1 TYR 3 28.255 5.243 5.094
17 HE2 TYR 3 HE2 TYR 3 30.721 7.613 2.480
18 HH TYR 3 HH TYR 3 31.488 6.363 4.365
19 HB2 TYR 3 HB2 TYR 3 26.728 7.147 0.136
20 HB3 TYR 3 HB3 TYR 3 25.516 6.705 1.326
21 H ALA 4 H ALA 4 23.783 4.877 0.120
22 HA ALA 4 HA ALA 4 23.132 3.467 2.489
23 HB1 ALA 4 HB3 ALA 4 20.948 3.143 1.430
24 HB2 ALA 4 HB1 ALA 4 21.537 4.780 1.093
25 HB3 ALA 4 HB2 ALA 4 21.621 3.529 -0.168
26 H GLN 5 H GLN 5 23.713 2.232 -0.827
27 HA GLN 5 HA GLN 5 23.379 -0.541 -0.142
28 HB2 GLN 5 HB2 GLN 5 23.392 0.746 -2.507
29 HB3 GLN 5 HB3 GLN 5 25.104 0.326 -2.457
30 HG2 GLN 5 HG2 GLN 5 24.155 -1.498 -3.562
31 HG3 GLN 5 HG3 GLN 5 24.257 -2.108 -1.910
32 HE21 GLN 5 HE22 GLN 5 22.244 -2.347 -4.466
33 HE22 GLN 5 HE21 GLN 5 20.711 -2.232 -3.589
34 H TRP 6 H TRP 6 26.255 1.586 -0.441
35 HA TRP 6 HA TRP 6 28.295 -0.258 0.075
36 HD1 TRP 6 HD1 TRP 6 30.919 1.013 -0.866
37 HE1 TRP 6 HE1 TRP 6 33.098 0.925 0.512
38 HE3 TRP 6 HE3 TRP 6 29.098 2.599 3.649
39 HZ2 TRP 6 HZ2 TRP 6 33.949 1.600 3.143
40 HZ3 TRP 6 HZ3 TRP 6 30.630 2.854 5.591
41 HH2 TRP 6 HH2 TRP 6 33.053 2.372 5.350
42 HB2 TRP 6 HB2 TRP 6 28.562 2.182 -0.469
43 HB3 TRP 6 HB3 TRP 6 28.130 2.569 1.189
44 H LEU 7 H LEU 7 26.398 1.509 2.579
45 HA LEU 7 HA LEU 7 27.495 0.053 4.811
46 HG LEU 7 HG LEU 7 26.904 2.919 4.431
47 HB2 LEU 7 HB2 LEU 7 24.813 1.437 4.428
48 HB3 LEU 7 HB3 LEU 7 25.362 0.784 5.970
49 HD11 LEU 7 HD11 LEU 7 24.700 3.782 5.034
50 HD12 LEU 7 HD12 LEU 7 24.908 3.221 6.709
51 HD13 LEU 7 HD13 LEU 7 25.943 4.513 6.064
52 HD21 LEU 7 HD23 LEU 7 28.007 3.313 6.602
53 HD22 LEU 7 HD21 LEU 7 27.056 2.011 7.344
54 HD23 LEU 7 HD22 LEU 7 28.261 1.643 6.092
55 H LYS 8 H LYS 8 24.616 -0.617 2.789
56 HA LYS 8 HA LYS 8 23.637 -2.866 4.184
57 HB2 LYS 8 HB2 LYS 8 22.818 -1.484 1.970
58 HB3 LYS 8 HB3 LYS 8 23.531 -2.877 1.171
59 HG2 LYS 8 HG2 LYS 8 21.250 -3.401 1.447
60 HG3 LYS 8 HG3 LYS 8 22.067 -4.337 2.710
61 HD2 LYS 8 HD2 LYS 8 21.481 -2.557 4.372
62 HD3 LYS 8 HD3 LYS 8 20.702 -1.621 3.080
63 HE2 LYS 8 HE2 LYS 8 19.098 -3.459 2.703
64 HE3 LYS 8 HE3 LYS 8 19.895 -4.428 3.954
65 HZ1 LYS 8 HZ3 LYS 8 17.946 -3.276 4.821
66 HZ2 LYS 8 HZ1 LYS 8 19.307 -2.725 5.565
67 HZ3 LYS 8 HZ2 LYS 8 18.579 -1.813 4.408
68 H ASP 9 H ASP 9 26.137 -2.770 1.692
69 HA ASP 9 HA ASP 9 26.606 -5.625 1.660
70 HB2 ASP 9 HB2 ASP 9 28.370 -3.351 0.681
71 HB3 ASP 9 HB3 ASP 9 28.509 -5.062 0.251
72 H GLY 10 H GLY 10 27.003 -3.954 4.347
73 HA2 GLY 10 HA2 GLY 10 28.223 -4.526 6.267
74 HA3 GLY 10 HA3 GLY 10 29.314 -5.525 5.304
75 H GLY 11 H GLY 11 28.593 -2.218 4.373
76 HA2 GLY 11 HA2 GLY 11 29.828 -0.311 4.194
77 HA3 GLY 11 HA3 GLY 11 30.608 -0.742 5.705
78 HA PRO 12 HA PRO 12 34.075 -1.095 2.816
79 HB2 PRO 12 HB2 PRO 12 36.133 -1.450 4.568
80 HB3 PRO 12 HB3 PRO 12 35.276 0.106 4.384
81 HG2 PRO 12 HG2 PRO 12 34.877 -2.002 6.514
82 HG3 PRO 12 HG3 PRO 12 34.974 -0.222 6.703
83 HD2 PRO 12 HD2 PRO 12 32.604 -1.657 6.565
84 HD3 PRO 12 HD3 PRO 12 32.751 0.054 6.080
85 H SER 13 H SER 13 32.757 -3.633 4.686
86 HA SER 13 HA SER 13 34.636 -5.686 4.611
87 HG SER 13 HG SER 13 31.858 -4.900 6.108
88 HB2 SER 13 HB2 SER 13 31.630 -6.006 4.253
89 HB3 SER 13 HB3 SER 13 32.775 -7.241 4.810
90 H SER 14 H SER 14 32.430 -4.730 1.955
91 HA SER 14 HA SER 14 33.020 -6.792 0.140
92 HG SER 14 HG SER 14 30.842 -3.573 0.256
93 HB2 SER 14 HB2 SER 14 32.425 -4.137 -1.029
94 HB3 SER 14 HB3 SER 14 31.553 -5.668 -1.172
95 H GLY 15 H GLY 15 35.222 -4.390 1.199
96 HA2 GLY 15 HA2 GLY 15 37.314 -3.816 0.408
97 HA3 GLY 15 HA3 GLY 15 37.084 -4.868 -0.990
98 H ARG 16 H ARG 16 34.529 -2.630 -0.640
99 HA ARG 16 HA ARG 16 35.514 -1.033 -2.937
100 HE ARG 16 HE ARG 16 30.343 0.092 -3.534
101 HB2 ARG 16 HB2 ARG 16 33.337 -2.055 -3.187
102 HB3 ARG 16 HB3 ARG 16 32.738 -1.320 -1.700
103 HG2 ARG 16 HG2 ARG 16 32.365 0.731 -2.687
104 HG3 ARG 16 HG3 ARG 16 33.812 0.639 -3.663
105 HD2 ARG 16 HD2 ARG 16 32.343 0.559 -5.333
106 HD3 ARG 16 HD3 ARG 16 32.514 -1.174 -5.044
107 HH11 ARG 16 HH11 ARG 16 31.108 -1.386 -6.598
108 HH12 ARG 16 HH12 ARG 16 29.441 -1.621 -7.049
109 HH21 ARG 16 HH21 ARG 16 28.194 -0.263 -4.104
110 HH22 ARG 16 HH22 ARG 16 27.827 -0.969 -5.644
111 HA PRO 17 HA PRO 17 36.337 2.323 -0.046
112 HB2 PRO 17 HB2 PRO 17 36.685 4.419 -1.829
113 HB3 PRO 17 HB3 PRO 17 37.921 3.184 -1.448
114 HG2 PRO 17 HG2 PRO 17 36.001 3.245 -3.788
115 HG3 PRO 17 HG3 PRO 17 37.760 2.896 -3.800
116 HD2 PRO 17 HD2 PRO 17 35.918 0.917 -3.839
117 HD3 PRO 17 HD3 PRO 17 37.429 0.731 -2.913
118 HA PRO 18 HA PRO 18 32.290 4.065 0.443
119 HB2 PRO 18 HB2 PRO 18 32.779 6.262 2.049
120 HB3 PRO 18 HB3 PRO 18 32.791 4.566 2.607
121 HG2 PRO 18 HG2 PRO 18 35.144 6.292 1.794
122 HG3 PRO 18 HG3 PRO 18 34.992 5.220 3.224
123 HD2 PRO 18 HD2 PRO 18 36.297 4.436 0.972
124 HD3 PRO 18 HD3 PRO 18 35.307 3.283 1.916
125 HA PRO 19 HA PRO 19 32.300 7.221 -2.802
126 HB2 PRO 19 HB2 PRO 19 29.663 7.281 -3.424
127 HB3 PRO 19 HB3 PRO 19 30.685 5.853 -3.761
128 HG2 PRO 19 HG2 PRO 19 28.824 6.283 -1.401
129 HG3 PRO 19 HG3 PRO 19 28.962 4.843 -2.454
130 HD2 PRO 19 HD2 PRO 19 30.234 5.067 -0.023
131 HD3 PRO 19 HD3 PRO 19 30.900 4.116 -1.385
132 H SER 20 H SER 20 33.052 8.940 -1.472
133 HA SER 20 HA SER 20 30.964 10.803 -0.395
134 HG SER 20 HG SER 20 32.250 8.836 0.893
135 HB2 SER 20 HB2 SER 20 33.840 10.586 0.563
136 HB3 SER 20 HB3 SER 20 32.536 11.580 1.257
Start of MODEL 24
1 HA ASP 1 HA ASP 1 22.709 7.848 -5.310
2 H1 ASP 1 H1 ASP 1 22.592 8.340 -3.018
3 H2 ASP 1 H2 ASP 1 24.220 8.668 -2.931
4 H3 ASP 1 H3 ASP 1 23.254 9.634 -3.838
5 HB2 ASP 1 HB2 ASP 1 25.608 8.688 -5.060
6 HB3 ASP 1 HB3 ASP 1 24.923 7.851 -6.469
7 H ALA 2 H ALA 2 25.910 6.653 -4.254
8 HA ALA 2 HA ALA 2 24.689 3.949 -4.214
9 HB1 ALA 2 HB3 ALA 2 26.967 3.229 -4.812
10 HB2 ALA 2 HB1 ALA 2 26.326 4.445 -5.927
11 HB3 ALA 2 HB2 ALA 2 27.527 4.915 -4.710
12 H TYR 3 H TYR 3 25.521 6.083 -1.846
13 HA TYR 3 HA TYR 3 27.207 4.607 -0.118
14 HD1 TYR 3 HD2 TYR 3 26.196 5.325 3.097
15 HD2 TYR 3 HD1 TYR 3 28.608 7.689 0.399
16 HE1 TYR 3 HE2 TYR 3 28.004 5.463 4.808
17 HE2 TYR 3 HE1 TYR 3 30.395 7.815 2.102
18 HH TYR 3 HH TYR 3 30.210 7.534 5.020
19 HB2 TYR 3 HB2 TYR 3 26.402 7.150 -0.192
20 HB3 TYR 3 HB3 TYR 3 25.234 6.591 0.993
21 H ALA 4 H ALA 4 23.638 4.687 -0.280
22 HA ALA 4 HA ALA 4 23.066 3.143 2.040
23 HB1 ALA 4 HB3 ALA 4 20.924 2.685 0.897
24 HB2 ALA 4 HB1 ALA 4 21.371 4.392 0.738
25 HB3 ALA 4 HB2 ALA 4 21.591 3.283 -0.635
26 H GLN 5 H GLN 5 23.805 2.136 -1.318
27 HA GLN 5 HA GLN 5 23.600 -0.676 -0.794
28 HB2 GLN 5 HB2 GLN 5 23.594 0.673 -3.072
29 HB3 GLN 5 HB3 GLN 5 25.346 0.407 -2.998
30 HG2 GLN 5 HG2 GLN 5 24.830 -2.072 -2.616
31 HG3 GLN 5 HG3 GLN 5 23.128 -1.695 -2.920
32 HE21 GLN 5 HE22 GLN 5 25.360 -3.318 -4.449
33 HE22 GLN 5 HE21 GLN 5 25.110 -2.657 -6.077
34 H TRP 6 H TRP 6 26.370 1.623 -0.802
35 HA TRP 6 HA TRP 6 28.440 -0.215 -0.229
36 HD1 TRP 6 HD1 TRP 6 31.079 0.917 -0.962
37 HE1 TRP 6 HE1 TRP 6 33.165 0.903 0.574
38 HE3 TRP 6 HE3 TRP 6 28.991 2.833 3.310
39 HZ2 TRP 6 HZ2 TRP 6 33.858 1.784 3.174
40 HZ3 TRP 6 HZ3 TRP 6 30.406 3.232 5.315
41 HH2 TRP 6 HH2 TRP 6 32.839 2.740 5.253
42 HB2 TRP 6 HB2 TRP 6 28.706 2.216 -0.765
43 HB3 TRP 6 HB3 TRP 6 28.162 2.609 0.860
44 H LEU 7 H LEU 7 26.323 1.474 2.161
45 HA LEU 7 HA LEU 7 27.353 0.036 4.433
46 HG LEU 7 HG LEU 7 26.706 2.909 4.039
47 HB2 LEU 7 HB2 LEU 7 24.668 1.374 3.959
48 HB3 LEU 7 HB3 LEU 7 25.176 0.720 5.515
49 HD11 LEU 7 HD11 LEU 7 24.473 3.699 4.651
50 HD12 LEU 7 HD12 LEU 7 24.691 3.105 6.313
51 HD13 LEU 7 HD13 LEU 7 25.692 4.439 5.703
52 HD21 LEU 7 HD23 LEU 7 27.763 3.296 6.241
53 HD22 LEU 7 HD21 LEU 7 26.872 1.922 6.924
54 HD23 LEU 7 HD22 LEU 7 28.104 1.663 5.670
55 H LYS 8 H LYS 8 24.622 -0.783 2.248
56 HA LYS 8 HA LYS 8 23.647 -3.060 3.610
57 HB2 LYS 8 HB2 LYS 8 23.689 -2.155 0.750
58 HB3 LYS 8 HB3 LYS 8 23.310 -3.839 1.014
59 HG2 LYS 8 HG2 LYS 8 21.865 -1.571 2.433
60 HG3 LYS 8 HG3 LYS 8 21.353 -2.230 0.882
61 HD2 LYS 8 HD2 LYS 8 21.779 -4.424 2.796
62 HD3 LYS 8 HD3 LYS 8 20.728 -3.194 3.488
63 HE2 LYS 8 HE2 LYS 8 19.243 -4.653 2.411
64 HE3 LYS 8 HE3 LYS 8 19.377 -3.269 1.319
65 HZ1 LYS 8 HZ3 LYS 8 19.548 -5.331 0.098
66 HZ2 LYS 8 HZ1 LYS 8 21.009 -4.577 0.036
67 HZ3 LYS 8 HZ2 LYS 8 20.790 -5.861 1.036
68 H ASP 9 H ASP 9 26.491 -2.924 1.494
69 HA ASP 9 HA ASP 9 27.016 -5.796 1.733
70 HB2 ASP 9 HB2 ASP 9 28.516 -3.444 0.532
71 HB3 ASP 9 HB3 ASP 9 29.185 -5.075 0.582
72 H GLY 10 H GLY 10 27.084 -3.759 4.234
73 HA2 GLY 10 HA2 GLY 10 28.096 -4.123 6.324
74 HA3 GLY 10 HA3 GLY 10 29.325 -5.152 5.586
75 H GLY 11 H GLY 11 28.596 -2.030 4.183
76 HA2 GLY 11 HA2 GLY 11 29.779 -0.101 3.909
77 HA3 GLY 11 HA3 GLY 11 30.311 -0.272 5.574
78 HA PRO 12 HA PRO 12 34.210 -0.849 3.368
79 HB2 PRO 12 HB2 PRO 12 35.974 -0.763 5.437
80 HB3 PRO 12 HB3 PRO 12 35.058 0.668 4.887
81 HG2 PRO 12 HG2 PRO 12 34.483 -1.111 7.258
82 HG3 PRO 12 HG3 PRO 12 34.402 0.676 7.143
83 HD2 PRO 12 HD2 PRO 12 32.221 -1.053 6.893
84 HD3 PRO 12 HD3 PRO 12 32.273 0.605 6.241
85 H SER 13 H SER 13 32.700 -3.204 5.346
86 HA SER 13 HA SER 13 34.722 -5.084 5.846
87 HG SER 13 HG SER 13 33.712 -6.969 6.858
88 HB2 SER 13 HB2 SER 13 32.380 -5.100 6.738
89 HB3 SER 13 HB3 SER 13 31.816 -5.685 5.160
90 H SER 14 H SER 14 32.741 -4.775 2.850
91 HA SER 14 HA SER 14 33.801 -6.953 1.408
92 HG SER 14 HG SER 14 31.463 -3.793 0.548
93 HB2 SER 14 HB2 SER 14 32.997 -4.950 -0.414
94 HB3 SER 14 HB3 SER 14 32.018 -6.279 0.211
95 H GLY 15 H GLY 15 35.577 -4.190 2.359
96 HA2 GLY 15 HA2 GLY 15 37.640 -3.427 1.662
97 HA3 GLY 15 HA3 GLY 15 37.682 -4.689 0.430
98 H ARG 16 H ARG 16 34.891 -2.722 0.240
99 HA ARG 16 HA ARG 16 35.841 -1.506 -2.284
100 HE ARG 16 HE ARG 16 31.368 0.710 -3.899
101 HB2 ARG 16 HB2 ARG 16 33.728 -2.777 -2.232
102 HB3 ARG 16 HB3 ARG 16 33.074 -1.675 -1.010
103 HG2 ARG 16 HG2 ARG 16 33.118 0.185 -2.591
104 HG3 ARG 16 HG3 ARG 16 33.908 -0.821 -3.822
105 HD2 ARG 16 HD2 ARG 16 32.001 -1.932 -4.375
106 HD3 ARG 16 HD3 ARG 16 31.388 -1.937 -2.712
107 HH11 ARG 16 HH11 ARG 16 29.509 -2.256 -3.692
108 HH12 ARG 16 HH12 ARG 16 27.981 -1.475 -3.928
109 HH21 ARG 16 HH21 ARG 16 29.370 1.711 -4.197
110 HH22 ARG 16 HH22 ARG 16 27.921 0.749 -4.227
111 HA PRO 17 HA PRO 17 36.361 2.388 -0.138
112 HB2 PRO 17 HB2 PRO 17 36.587 4.150 -2.246
113 HB3 PRO 17 HB3 PRO 17 37.878 3.026 -1.727
114 HG2 PRO 17 HG2 PRO 17 35.899 2.686 -3.987
115 HG3 PRO 17 HG3 PRO 17 37.658 2.341 -3.979
116 HD2 PRO 17 HD2 PRO 17 35.738 0.415 -3.630
117 HD3 PRO 17 HD3 PRO 17 37.349 0.303 -2.865
118 HA PRO 18 HA PRO 18 32.151 3.907 -0.022
119 HB2 PRO 18 HB2 PRO 18 32.466 6.253 1.412
120 HB3 PRO 18 HB3 PRO 18 32.477 4.620 2.131
121 HG2 PRO 18 HG2 PRO 18 34.839 6.339 1.342
122 HG3 PRO 18 HG3 PRO 18 34.609 5.381 2.841
123 HD2 PRO 18 HD2 PRO 18 36.100 4.478 0.743
124 HD3 PRO 18 HD3 PRO 18 35.111 3.364 1.735
125 HA PRO 19 HA PRO 19 32.157 6.874 -3.409
126 HB2 PRO 19 HB2 PRO 19 29.489 7.271 -3.752
127 HB3 PRO 19 HB3 PRO 19 30.284 5.714 -4.135
128 HG2 PRO 19 HG2 PRO 19 28.723 6.447 -1.647
129 HG3 PRO 19 HG3 PRO 19 28.632 4.946 -2.617
130 HD2 PRO 19 HD2 PRO 19 30.128 5.191 -0.304
131 HD3 PRO 19 HD3 PRO 19 30.539 4.064 -1.633
132 H SER 20 H SER 20 32.619 8.988 -3.344
133 HA SER 20 HA SER 20 31.371 10.823 -1.351
134 HG SER 20 HG SER 20 33.373 11.301 -3.834
135 HB2 SER 20 HB2 SER 20 33.420 12.134 -1.569
136 HB3 SER 20 HB3 SER 20 33.893 10.450 -1.205
Start of MODEL 25
1 HA ASP 1 HA ASP 1 23.333 8.479 -4.225
2 H1 ASP 1 H1 ASP 1 25.219 8.775 -2.668
3 H2 ASP 1 H2 ASP 1 26.239 8.646 -3.980
4 H3 ASP 1 H3 ASP 1 25.173 9.895 -3.885
5 HB2 ASP 1 HB2 ASP 1 23.810 7.645 -6.456
6 HB3 ASP 1 HB3 ASP 1 24.541 9.235 -6.223
7 H ALA 2 H ALA 2 26.170 6.279 -4.597
8 HA ALA 2 HA ALA 2 24.530 3.969 -4.082
9 HB1 ALA 2 HB3 ALA 2 26.666 2.791 -4.564
10 HB2 ALA 2 HB1 ALA 2 26.290 4.043 -5.763
11 HB3 ALA 2 HB2 ALA 2 27.522 4.352 -4.530
12 H TYR 3 H TYR 3 25.501 5.989 -1.767
13 HA TYR 3 HA TYR 3 27.111 4.531 0.029
14 HD1 TYR 3 HD2 TYR 3 25.922 5.320 3.212
15 HD2 TYR 3 HD1 TYR 3 28.545 7.582 0.628
16 HE1 TYR 3 HE2 TYR 3 27.582 5.542 5.062
17 HE2 TYR 3 HE1 TYR 3 30.176 7.804 2.467
18 HH TYR 3 HH TYR 3 30.511 7.504 4.744
19 HB2 TYR 3 HB2 TYR 3 26.377 7.068 -0.095
20 HB3 TYR 3 HB3 TYR 3 25.123 6.568 1.024
21 H ALA 4 H ALA 4 23.551 4.630 -0.199
22 HA ALA 4 HA ALA 4 22.920 3.126 2.138
23 HB1 ALA 4 HB3 ALA 4 20.798 2.663 0.952
24 HB2 ALA 4 HB1 ALA 4 21.260 4.367 0.788
25 HB3 ALA 4 HB2 ALA 4 21.503 3.246 -0.570
26 H GLN 5 H GLN 5 23.732 2.065 -1.182
27 HA GLN 5 HA GLN 5 23.456 -0.747 -0.606
28 HB2 GLN 5 HB2 GLN 5 23.222 0.395 -2.849
29 HB3 GLN 5 HB3 GLN 5 24.987 0.495 -2.919
30 HG2 GLN 5 HG2 GLN 5 25.223 -1.854 -3.080
31 HG3 GLN 5 HG3 GLN 5 23.658 -2.167 -2.323
32 HE21 GLN 5 HE22 GLN 5 22.198 -3.043 -3.794
33 HE22 GLN 5 HE21 GLN 5 22.117 -2.459 -5.462
34 H TRP 6 H TRP 6 26.236 1.511 -0.781
35 HA TRP 6 HA TRP 6 28.348 -0.252 -0.192
36 HD1 TRP 6 HD1 TRP 6 30.970 0.899 -0.865
37 HE1 TRP 6 HE1 TRP 6 33.020 0.959 0.682
38 HE3 TRP 6 HE3 TRP 6 28.806 2.978 3.299
39 HZ2 TRP 6 HZ2 TRP 6 33.690 2.013 3.246
40 HZ3 TRP 6 HZ3 TRP 6 30.200 3.510 5.286
41 HH2 TRP 6 HH2 TRP 6 32.639 3.050 5.270
42 HB2 TRP 6 HB2 TRP 6 28.562 2.178 -0.736
43 HB3 TRP 6 HB3 TRP 6 27.987 2.570 0.877
44 H LEU 7 H LEU 7 26.270 1.429 2.246
45 HA LEU 7 HA LEU 7 27.344 0.015 4.501
46 HG LEU 7 HG LEU 7 26.552 2.875 4.104
47 HB2 LEU 7 HB2 LEU 7 24.601 1.240 4.044
48 HB3 LEU 7 HB3 LEU 7 25.151 0.612 5.596
49 HD11 LEU 7 HD11 LEU 7 24.282 3.530 4.763
50 HD12 LEU 7 HD12 LEU 7 24.576 2.957 6.420
51 HD13 LEU 7 HD13 LEU 7 25.480 4.346 5.782
52 HD21 LEU 7 HD23 LEU 7 27.622 3.307 6.293
53 HD22 LEU 7 HD21 LEU 7 26.823 1.877 6.976
54 HD23 LEU 7 HD22 LEU 7 28.044 1.702 5.696
55 H LYS 8 H LYS 8 24.531 -0.838 2.423
56 HA LYS 8 HA LYS 8 23.748 -3.209 3.769
57 HB2 LYS 8 HB2 LYS 8 23.338 -2.038 1.088
58 HB3 LYS 8 HB3 LYS 8 23.435 -3.790 1.036
59 HG2 LYS 8 HG2 LYS 8 21.709 -3.794 2.955
60 HG3 LYS 8 HG3 LYS 8 21.470 -2.071 2.582
61 HD2 LYS 8 HD2 LYS 8 20.943 -2.706 0.209
62 HD3 LYS 8 HD3 LYS 8 21.187 -4.414 0.640
63 HE2 LYS 8 HE2 LYS 8 19.388 -4.101 2.425
64 HE3 LYS 8 HE3 LYS 8 19.047 -2.524 1.697
65 HZ1 LYS 8 HZ3 LYS 8 17.595 -4.229 0.799
66 HZ2 LYS 8 HZ1 LYS 8 18.592 -3.696 -0.397
67 HZ3 LYS 8 HZ2 LYS 8 18.874 -5.146 0.325
68 H ASP 9 H ASP 9 26.263 -2.877 1.270
69 HA ASP 9 HA ASP 9 27.059 -5.661 1.341
70 HB2 ASP 9 HB2 ASP 9 28.373 -3.138 0.265
71 HB3 ASP 9 HB3 ASP 9 29.072 -4.746 0.078
72 H GLY 10 H GLY 10 27.132 -4.029 4.052
73 HA2 GLY 10 HA2 GLY 10 28.361 -4.507 5.988
74 HA3 GLY 10 HA3 GLY 10 29.599 -5.317 5.028
75 H GLY 11 H GLY 11 28.626 -2.137 4.017
76 HA2 GLY 11 HA2 GLY 11 29.713 -0.135 3.863
77 HA3 GLY 11 HA3 GLY 11 30.190 -0.383 5.534
78 HA PRO 12 HA PRO 12 34.186 -0.425 3.406
79 HB2 PRO 12 HB2 PRO 12 35.862 -0.286 5.559
80 HB3 PRO 12 HB3 PRO 12 34.868 1.090 5.011
81 HG2 PRO 12 HG2 PRO 12 34.319 -0.811 7.291
82 HG3 PRO 12 HG3 PRO 12 34.116 0.969 7.237
83 HD2 PRO 12 HD2 PRO 12 32.067 -0.870 6.844
84 HD3 PRO 12 HD3 PRO 12 32.053 0.790 6.191
85 H SER 13 H SER 13 32.868 -2.985 5.293
86 HA SER 13 HA SER 13 35.258 -4.588 5.541
87 HG SER 13 HG SER 13 33.441 -6.936 7.246
88 HB2 SER 13 HB2 SER 13 33.091 -4.549 6.973
89 HB3 SER 13 HB3 SER 13 32.447 -5.668 5.754
90 H SER 14 H SER 14 33.199 -4.115 2.848
91 HA SER 14 HA SER 14 33.818 -6.763 1.633
92 HG SER 14 HG SER 14 30.655 -5.979 1.893
93 HB2 SER 14 HB2 SER 14 31.885 -4.552 0.943
94 HB3 SER 14 HB3 SER 14 32.295 -5.824 -0.230
95 H GLY 15 H GLY 15 35.841 -4.405 1.972
96 HA2 GLY 15 HA2 GLY 15 37.747 -3.796 0.776
97 HA3 GLY 15 HA3 GLY 15 37.300 -5.004 -0.430
98 H ARG 16 H ARG 16 34.944 -2.563 0.178
99 HA ARG 16 HA ARG 16 35.457 -1.423 -2.518
100 HE ARG 16 HE ARG 16 29.897 -1.233 -2.638
101 HB2 ARG 16 HB2 ARG 16 33.452 -2.905 -2.105
102 HB3 ARG 16 HB3 ARG 16 32.778 -1.631 -1.078
103 HG2 ARG 16 HG2 ARG 16 32.696 -0.082 -2.979
104 HG3 ARG 16 HG3 ARG 16 33.648 -1.197 -3.966
105 HD2 ARG 16 HD2 ARG 16 31.755 -2.019 -4.786
106 HD3 ARG 16 HD3 ARG 16 31.509 -2.806 -3.244
107 HH11 ARG 16 HH11 ARG 16 31.175 -0.394 -5.786
108 HH12 ARG 16 HH12 ARG 16 29.825 0.627 -6.195
109 HH21 ARG 16 HH21 ARG 16 28.186 0.104 -3.185
110 HH22 ARG 16 HH22 ARG 16 28.183 0.917 -4.720
111 HA PRO 17 HA PRO 17 36.124 2.332 -0.250
112 HB2 PRO 17 HB2 PRO 17 36.357 4.174 -2.273
113 HB3 PRO 17 HB3 PRO 17 37.594 2.932 -1.913
114 HG2 PRO 17 HG2 PRO 17 35.417 2.837 -4.018
115 HG3 PRO 17 HG3 PRO 17 37.155 2.434 -4.196
116 HD2 PRO 17 HD2 PRO 17 35.222 0.541 -3.785
117 HD3 PRO 17 HD3 PRO 17 36.879 0.357 -3.135
118 HA PRO 18 HA PRO 18 32.031 4.035 0.180
119 HB2 PRO 18 HB2 PRO 18 32.531 6.368 1.587
120 HB3 PRO 18 HB3 PRO 18 32.521 4.733 2.290
121 HG2 PRO 18 HG2 PRO 18 34.893 6.362 1.363
122 HG3 PRO 18 HG3 PRO 18 34.729 5.383 2.856
123 HD2 PRO 18 HD2 PRO 18 36.036 4.467 0.644
124 HD3 PRO 18 HD3 PRO 18 35.075 3.373 1.683
125 HA PRO 19 HA PRO 19 31.918 6.963 -3.274
126 HB2 PRO 19 HB2 PRO 19 29.236 7.149 -3.653
127 HB3 PRO 19 HB3 PRO 19 30.158 5.665 -4.040
128 HG2 PRO 19 HG2 PRO 19 28.532 6.245 -1.549
129 HG3 PRO 19 HG3 PRO 19 28.543 4.759 -2.544
130 HD2 PRO 19 HD2 PRO 19 30.005 5.045 -0.233
131 HD3 PRO 19 HD3 PRO 19 30.525 4.003 -1.593
132 H SER 20 H SER 20 32.781 8.762 -2.379
133 HA SER 20 HA SER 20 31.238 10.592 -0.609
134 HG SER 20 HG SER 20 33.451 9.107 -0.194
135 HB2 SER 20 HB2 SER 20 34.054 10.825 -1.755
136 HB3 SER 20 HB3 SER 20 33.315 11.903 -0.551
Start of MODEL 26
1 HA ASP 1 HA ASP 1 21.727 7.323 -4.892
2 H1 ASP 1 H1 ASP 1 21.106 6.704 -2.690
3 H2 ASP 1 H2 ASP 1 22.247 7.703 -2.036
4 H3 ASP 1 H3 ASP 1 20.992 8.342 -2.892
5 HB2 ASP 1 HB2 ASP 1 22.536 9.604 -4.135
6 HB3 ASP 1 HB3 ASP 1 24.056 8.837 -3.667
7 H ALA 2 H ALA 2 24.969 7.168 -3.591
8 HA ALA 2 HA ALA 2 25.002 4.268 -4.135
9 HB1 ALA 2 HB3 ALA 2 27.405 4.665 -4.420
10 HB2 ALA 2 HB1 ALA 2 26.446 5.814 -5.372
11 HB3 ALA 2 HB2 ALA 2 27.204 6.347 -3.861
12 H TYR 3 H TYR 3 25.839 6.460 -1.419
13 HA TYR 3 HA TYR 3 27.252 4.683 0.180
14 HD1 TYR 3 HD1 TYR 3 29.047 6.459 1.361
15 HD2 TYR 3 HD2 TYR 3 25.378 6.010 3.593
16 HE1 TYR 3 HE1 TYR 3 30.354 6.149 3.466
17 HE2 TYR 3 HE2 TYR 3 26.698 5.772 5.697
18 HH TYR 3 HH TYR 3 29.157 6.528 6.463
19 HB2 TYR 3 HB2 TYR 3 26.845 7.191 0.458
20 HB3 TYR 3 HB3 TYR 3 25.340 6.775 1.267
21 H ALA 4 H ALA 4 23.735 4.949 -0.079
22 HA ALA 4 HA ALA 4 22.918 3.235 2.028
23 HB1 ALA 4 HB3 ALA 4 20.858 2.998 0.700
24 HB2 ALA 4 HB1 ALA 4 21.407 4.684 0.686
25 HB3 ALA 4 HB2 ALA 4 21.676 3.646 -0.735
26 H GLN 5 H GLN 5 24.034 2.455 -1.292
27 HA GLN 5 HA GLN 5 23.553 -0.397 -0.959
28 HB2 GLN 5 HB2 GLN 5 23.629 1.078 -3.178
29 HB3 GLN 5 HB3 GLN 5 25.365 0.790 -3.071
30 HG2 GLN 5 HG2 GLN 5 24.559 -0.935 -4.461
31 HG3 GLN 5 HG3 GLN 5 24.759 -1.732 -2.900
32 HE21 GLN 5 HE22 GLN 5 22.592 -1.428 -5.498
33 HE22 GLN 5 HE21 GLN 5 21.129 -1.775 -4.579
34 H TRP 6 H TRP 6 26.361 1.807 -0.796
35 HA TRP 6 HA TRP 6 28.401 -0.094 -0.353
36 HD1 TRP 6 HD1 TRP 6 31.024 0.873 -0.913
37 HE1 TRP 6 HE1 TRP 6 33.125 0.852 0.610
38 HE3 TRP 6 HE3 TRP 6 29.021 2.980 3.313
39 HZ2 TRP 6 HZ2 TRP 6 33.850 1.754 3.192
40 HZ3 TRP 6 HZ3 TRP 6 30.455 3.377 5.299
41 HH2 TRP 6 HH2 TRP 6 32.868 2.796 5.248
42 HB2 TRP 6 HB2 TRP 6 28.706 2.357 -0.720
43 HB3 TRP 6 HB3 TRP 6 28.147 2.655 0.920
44 H LEU 7 H LEU 7 26.301 1.434 2.149
45 HA LEU 7 HA LEU 7 27.324 -0.039 4.375
46 HG LEU 7 HG LEU 7 26.388 2.793 4.019
47 HB2 LEU 7 HB2 LEU 7 24.534 1.038 3.819
48 HB3 LEU 7 HB3 LEU 7 25.051 0.413 5.382
49 HD11 LEU 7 HD11 LEU 7 24.053 3.311 4.481
50 HD12 LEU 7 HD12 LEU 7 24.194 2.664 6.131
51 HD13 LEU 7 HD13 LEU 7 25.071 4.134 5.672
52 HD21 LEU 7 HD23 LEU 7 27.299 3.255 6.239
53 HD22 LEU 7 HD21 LEU 7 26.499 1.813 6.901
54 HD23 LEU 7 HD22 LEU 7 27.809 1.654 5.708
55 H LYS 8 H LYS 8 24.833 -0.963 2.011
56 HA LYS 8 HA LYS 8 23.900 -3.340 3.286
57 HB2 LYS 8 HB2 LYS 8 23.530 -1.944 0.774
58 HB3 LYS 8 HB3 LYS 8 23.890 -3.610 0.396
59 HG2 LYS 8 HG2 LYS 8 21.906 -3.372 2.574
60 HG3 LYS 8 HG3 LYS 8 21.412 -2.458 1.166
61 HD2 LYS 8 HD2 LYS 8 22.294 -5.363 0.914
62 HD3 LYS 8 HD3 LYS 8 20.669 -4.921 1.424
63 HE2 LYS 8 HE2 LYS 8 20.575 -5.355 -0.911
64 HE3 LYS 8 HE3 LYS 8 20.310 -3.628 -0.651
65 HZ1 LYS 8 HZ3 LYS 8 21.859 -4.251 -2.502
66 HZ2 LYS 8 HZ1 LYS 8 22.395 -3.123 -1.489
67 HZ3 LYS 8 HZ2 LYS 8 22.985 -4.677 -1.368
68 H ASP 9 H ASP 9 26.703 -2.830 1.218
69 HA ASP 9 HA ASP 9 27.527 -5.648 1.286
70 HB2 ASP 9 HB2 ASP 9 28.653 -3.090 0.099
71 HB3 ASP 9 HB3 ASP 9 29.560 -4.601 0.092
72 H GLY 10 H GLY 10 27.267 -4.114 3.903
73 HA2 GLY 10 HA2 GLY 10 28.339 -4.278 5.948
74 HA3 GLY 10 HA3 GLY 10 29.631 -5.211 5.184
75 H GLY 11 H GLY 11 28.796 -2.081 3.879
76 HA2 GLY 11 HA2 GLY 11 29.947 -0.140 3.613
77 HA3 GLY 11 HA3 GLY 11 30.441 -0.276 5.294
78 HA PRO 12 HA PRO 12 34.423 -0.812 3.241
79 HB2 PRO 12 HB2 PRO 12 36.102 -0.884 5.383
80 HB3 PRO 12 HB3 PRO 12 35.241 0.598 4.877
81 HG2 PRO 12 HG2 PRO 12 34.506 -1.313 7.102
82 HG3 PRO 12 HG3 PRO 12 34.503 0.480 7.116
83 HD2 PRO 12 HD2 PRO 12 32.260 -1.094 6.672
84 HD3 PRO 12 HD3 PRO 12 32.435 0.570 6.064
85 H SER 13 H SER 13 32.851 -3.225 5.154
86 HA SER 13 HA SER 13 34.872 -5.139 5.523
87 HG SER 13 HG SER 13 33.903 -7.008 6.583
88 HB2 SER 13 HB2 SER 13 32.571 -5.138 6.525
89 HB3 SER 13 HB3 SER 13 31.939 -5.716 4.970
90 H SER 14 H SER 14 32.709 -4.826 2.651
91 HA SER 14 HA SER 14 33.922 -6.985 1.190
92 HG SER 14 HG SER 14 30.658 -6.223 0.411
93 HB2 SER 14 HB2 SER 14 32.159 -4.648 0.417
94 HB3 SER 14 HB3 SER 14 32.761 -5.810 -0.784
95 H GLY 15 H GLY 15 35.625 -4.266 2.082
96 HA2 GLY 15 HA2 GLY 15 37.669 -3.514 1.333
97 HA3 GLY 15 HA3 GLY 15 37.609 -4.699 0.029
98 H ARG 16 H ARG 16 34.899 -2.682 0.050
99 HA ARG 16 HA ARG 16 35.723 -1.286 -2.416
100 HE ARG 16 HE ARG 16 31.756 0.413 -4.802
101 HB2 ARG 16 HB2 ARG 16 33.563 -2.547 -2.228
102 HB3 ARG 16 HB3 ARG 16 33.070 -1.483 -0.919
103 HG2 ARG 16 HG2 ARG 16 31.910 -0.697 -2.763
104 HG3 ARG 16 HG3 ARG 16 33.227 0.463 -2.603
105 HD2 ARG 16 HD2 ARG 16 34.428 -0.596 -4.463
106 HD3 ARG 16 HD3 ARG 16 33.245 -1.917 -4.511
107 HH11 ARG 16 HH11 ARG 16 34.287 -1.073 -6.690
108 HH12 ARG 16 HH12 ARG 16 33.653 -0.506 -8.212
109 HH21 ARG 16 HH21 ARG 16 30.927 1.087 -6.755
110 HH22 ARG 16 HH22 ARG 16 31.757 0.698 -8.228
111 HA PRO 17 HA PRO 17 36.438 2.406 0.106
112 HB2 PRO 17 HB2 PRO 17 36.747 4.310 -1.862
113 HB3 PRO 17 HB3 PRO 17 38.004 3.116 -1.419
114 HG2 PRO 17 HG2 PRO 17 36.021 2.983 -3.702
115 HG3 PRO 17 HG3 PRO 17 37.778 2.628 -3.731
116 HD2 PRO 17 HD2 PRO 17 35.868 0.683 -3.531
117 HD3 PRO 17 HD3 PRO 17 37.461 0.521 -2.732
118 HA PRO 18 HA PRO 18 32.286 3.967 0.320
119 HB2 PRO 18 HB2 PRO 18 32.615 6.330 1.732
120 HB3 PRO 18 HB3 PRO 18 32.629 4.697 2.446
121 HG2 PRO 18 HG2 PRO 18 34.987 6.407 1.630
122 HG3 PRO 18 HG3 PRO 18 34.776 5.442 3.127
123 HD2 PRO 18 HD2 PRO 18 36.237 4.536 1.015
124 HD3 PRO 18 HD3 PRO 18 35.236 3.424 1.998
125 HA PRO 19 HA PRO 19 32.212 6.939 -3.096
126 HB2 PRO 19 HB2 PRO 19 29.564 6.959 -3.649
127 HB3 PRO 19 HB3 PRO 19 30.593 5.531 -3.973
128 HG2 PRO 19 HG2 PRO 19 28.769 6.000 -1.596
129 HG3 PRO 19 HG3 PRO 19 28.934 4.523 -2.595
130 HD2 PRO 19 HD2 PRO 19 30.228 4.892 -0.187
131 HD3 PRO 19 HD3 PRO 19 30.885 3.880 -1.510
132 H SER 20 H SER 20 32.887 8.819 -2.148
133 HA SER 20 HA SER 20 31.128 10.600 -0.590
134 HG SER 20 HG SER 20 32.953 10.544 0.703
135 HB2 SER 20 HB2 SER 20 33.840 11.013 -1.945
136 HB3 SER 20 HB3 SER 20 32.994 12.237 -0.980
Start of MODEL 27
1 HA ASP 1 HA ASP 1 25.151 8.619 -3.535
2 H1 ASP 1 H1 ASP 1 25.904 8.785 -5.775
3 H2 ASP 1 H2 ASP 1 24.356 8.676 -6.357
4 H3 ASP 1 H3 ASP 1 24.799 9.986 -5.449
5 HB2 ASP 1 HB2 ASP 1 22.456 8.862 -4.866
6 HB3 ASP 1 HB3 ASP 1 22.624 8.134 -3.253
7 H ALA 2 H ALA 2 26.061 6.742 -3.123
8 HA ALA 2 HA ALA 2 24.505 4.294 -3.734
9 HB1 ALA 2 HB3 ALA 2 26.561 3.084 -4.371
10 HB2 ALA 2 HB1 ALA 2 26.202 4.420 -5.476
11 HB3 ALA 2 HB2 ALA 2 27.488 4.600 -4.272
12 H TYR 3 H TYR 3 25.502 6.178 -1.306
13 HA TYR 3 HA TYR 3 27.128 4.617 0.370
14 HD1 TYR 3 HD1 TYR 3 26.130 5.050 3.532
15 HD2 TYR 3 HD2 TYR 3 28.377 7.859 1.137
16 HE1 TYR 3 HE1 TYR 3 27.851 5.233 5.330
17 HE2 TYR 3 HE2 TYR 3 30.062 8.048 2.926
18 HH TYR 3 HH TYR 3 30.471 7.587 5.185
19 HB2 TYR 3 HB2 TYR 3 26.288 7.153 0.397
20 HB3 TYR 3 HB3 TYR 3 25.107 6.525 1.528
21 H ALA 4 H ALA 4 23.564 4.718 0.156
22 HA ALA 4 HA ALA 4 22.969 3.047 2.378
23 HB1 ALA 4 HB3 ALA 4 20.781 2.844 1.358
24 HB2 ALA 4 HB1 ALA 4 21.355 4.498 1.078
25 HB3 ALA 4 HB2 ALA 4 21.415 3.300 -0.237
26 H GLN 5 H GLN 5 23.981 2.238 -0.927
27 HA GLN 5 HA GLN 5 23.529 -0.638 -0.593
28 HB2 GLN 5 HB2 GLN 5 23.506 0.729 -2.828
29 HB3 GLN 5 HB3 GLN 5 25.266 0.644 -2.716
30 HG2 GLN 5 HG2 GLN 5 24.463 -2.011 -2.219
31 HG3 GLN 5 HG3 GLN 5 23.275 -1.447 -3.389
32 HE21 GLN 5 HE22 GLN 5 26.468 -2.729 -2.990
33 HE22 GLN 5 HE21 GLN 5 26.947 -2.402 -4.667
34 H TRP 6 H TRP 6 26.333 1.637 -0.592
35 HA TRP 6 HA TRP 6 28.405 -0.173 -0.094
36 HD1 TRP 6 HD1 TRP 6 30.947 0.971 -0.809
37 HE1 TRP 6 HE1 TRP 6 33.105 0.889 0.625
38 HE3 TRP 6 HE3 TRP 6 29.072 2.771 3.602
39 HZ2 TRP 6 HZ2 TRP 6 33.914 1.659 3.232
40 HZ3 TRP 6 HZ3 TRP 6 30.573 3.084 5.557
41 HH2 TRP 6 HH2 TRP 6 32.993 2.552 5.383
42 HB2 TRP 6 HB2 TRP 6 28.608 2.304 -0.465
43 HB3 TRP 6 HB3 TRP 6 28.105 2.565 1.199
44 H LEU 7 H LEU 7 26.347 1.362 2.435
45 HA LEU 7 HA LEU 7 27.387 -0.216 4.603
46 HG LEU 7 HG LEU 7 26.667 2.691 4.333
47 HB2 LEU 7 HB2 LEU 7 24.677 1.109 4.220
48 HB3 LEU 7 HB3 LEU 7 25.223 0.397 5.739
49 HD11 LEU 7 HD11 LEU 7 24.430 3.383 5.059
50 HD12 LEU 7 HD12 LEU 7 24.727 2.719 6.682
51 HD13 LEU 7 HD13 LEU 7 25.666 4.109 6.099
52 HD21 LEU 7 HD23 LEU 7 27.778 2.992 6.525
53 HD22 LEU 7 HD21 LEU 7 26.958 1.546 7.147
54 HD23 LEU 7 HD22 LEU 7 28.154 1.412 5.839
55 H LYS 8 H LYS 8 24.779 -0.963 2.291
56 HA LYS 8 HA LYS 8 23.736 -3.284 3.593
57 HB2 LYS 8 HB2 LYS 8 22.807 -1.953 1.547
58 HB3 LYS 8 HB3 LYS 8 23.915 -2.902 0.578
59 HG2 LYS 8 HG2 LYS 8 21.867 -4.021 0.392
60 HG3 LYS 8 HG3 LYS 8 22.855 -4.996 1.463
61 HD2 LYS 8 HD2 LYS 8 20.839 -5.062 2.544
62 HD3 LYS 8 HD3 LYS 8 21.573 -3.721 3.407
63 HE2 LYS 8 HE2 LYS 8 19.634 -3.502 1.050
64 HE3 LYS 8 HE3 LYS 8 19.174 -3.386 2.750
65 HZ1 LYS 8 HZ3 LYS 8 19.427 -1.200 1.821
66 HZ2 LYS 8 HZ1 LYS 8 20.623 -1.429 2.929
67 HZ3 LYS 8 HZ2 LYS 8 20.966 -1.504 1.331
68 H ASP 9 H ASP 9 26.405 -2.952 1.272
69 HA ASP 9 HA ASP 9 27.107 -5.787 1.326
70 HB2 ASP 9 HB2 ASP 9 28.526 -3.335 0.222
71 HB3 ASP 9 HB3 ASP 9 29.061 -5.004 -0.016
72 H GLY 10 H GLY 10 27.199 -4.099 3.937
73 HA2 GLY 10 HA2 GLY 10 28.312 -4.549 5.920
74 HA3 GLY 10 HA3 GLY 10 29.572 -5.422 5.045
75 H GLY 11 H GLY 11 28.770 -2.199 3.930
76 HA2 GLY 11 HA2 GLY 11 29.901 -0.227 3.911
77 HA3 GLY 11 HA3 GLY 11 30.483 -0.580 5.534
78 HA PRO 12 HA PRO 12 34.294 -0.981 3.128
79 HB2 PRO 12 HB2 PRO 12 36.136 -1.129 5.124
80 HB3 PRO 12 HB3 PRO 12 35.244 0.371 4.740
81 HG2 PRO 12 HG2 PRO 12 34.690 -1.616 6.951
82 HG3 PRO 12 HG3 PRO 12 34.678 0.176 7.022
83 HD2 PRO 12 HD2 PRO 12 32.415 -1.415 6.701
84 HD3 PRO 12 HD3 PRO 12 32.526 0.281 6.159
85 H SER 13 H SER 13 32.918 -3.503 5.120
86 HA SER 13 HA SER 13 34.974 -5.407 5.184
87 HG SER 13 HG SER 13 32.248 -6.105 7.217
88 HB2 SER 13 HB2 SER 13 31.964 -5.755 4.994
89 HB3 SER 13 HB3 SER 13 33.093 -7.094 5.282
90 H SER 14 H SER 14 32.878 -4.621 2.417
91 HA SER 14 HA SER 14 33.688 -6.906 0.823
92 HG SER 14 HG SER 14 30.878 -4.911 1.343
93 HB2 SER 14 HB2 SER 14 32.629 -4.975 -0.884
94 HB3 SER 14 HB3 SER 14 31.753 -6.303 -0.129
95 H GLY 15 H GLY 15 35.506 -4.224 1.760
96 HA2 GLY 15 HA2 GLY 15 37.556 -3.494 1.018
97 HA3 GLY 15 HA3 GLY 15 37.482 -4.632 -0.327
98 H ARG 16 H ARG 16 34.731 -2.712 -0.272
99 HA ARG 16 HA ARG 16 35.485 -1.201 -2.671
100 HE ARG 16 HE ARG 16 31.270 0.890 -4.471
101 HB2 ARG 16 HB2 ARG 16 33.326 -2.415 -2.470
102 HB3 ARG 16 HB3 ARG 16 32.925 -1.478 -1.043
103 HG2 ARG 16 HG2 ARG 16 31.683 -0.322 -2.491
104 HG3 ARG 16 HG3 ARG 16 33.159 0.598 -2.753
105 HD2 ARG 16 HD2 ARG 16 33.612 -0.639 -4.808
106 HD3 ARG 16 HD3 ARG 16 32.285 -1.770 -4.450
107 HH11 ARG 16 HH11 ARG 16 32.377 -1.476 -6.777
108 HH12 ARG 16 HH12 ARG 16 31.277 -0.959 -8.029
109 HH21 ARG 16 HH21 ARG 16 29.823 1.511 -6.066
110 HH22 ARG 16 HH22 ARG 16 29.854 0.721 -7.610
111 HA PRO 17 HA PRO 17 36.330 2.452 -0.122
112 HB2 PRO 17 HB2 PRO 17 36.508 4.381 -2.089
113 HB3 PRO 17 HB3 PRO 17 37.804 3.211 -1.702
114 HG2 PRO 17 HG2 PRO 17 35.746 3.062 -3.914
115 HG3 PRO 17 HG3 PRO 17 37.502 2.714 -3.997
116 HD2 PRO 17 HD2 PRO 17 35.597 0.759 -3.744
117 HD3 PRO 17 HD3 PRO 17 37.224 0.599 -3.014
118 HA PRO 18 HA PRO 18 32.153 3.967 0.294
119 HB2 PRO 18 HB2 PRO 18 32.529 6.223 1.855
120 HB3 PRO 18 HB3 PRO 18 32.561 4.547 2.461
121 HG2 PRO 18 HG2 PRO 18 34.898 6.308 1.696
122 HG3 PRO 18 HG3 PRO 18 34.725 5.248 3.133
123 HD2 PRO 18 HD2 PRO 18 36.127 4.486 0.923
124 HD3 PRO 18 HD3 PRO 18 35.163 3.309 1.866
125 HA PRO 19 HA PRO 19 32.053 7.121 -2.944
126 HB2 PRO 19 HB2 PRO 19 29.374 7.305 -3.356
127 HB3 PRO 19 HB3 PRO 19 30.312 5.849 -3.810
128 HG2 PRO 19 HG2 PRO 19 28.631 6.281 -1.324
129 HG3 PRO 19 HG3 PRO 19 28.681 4.848 -2.394
130 HD2 PRO 19 HD2 PRO 19 30.097 5.044 -0.038
131 HD3 PRO 19 HD3 PRO 19 30.636 4.057 -1.432
132 H SER 20 H SER 20 32.296 9.251 -2.712
133 HA SER 20 HA SER 20 31.245 10.737 -0.399
134 HG SER 20 HG SER 20 31.402 12.953 -1.120
135 HB2 SER 20 HB2 SER 20 33.562 11.170 -1.327
136 HB3 SER 20 HB3 SER 20 32.773 11.800 -2.804
Start of MODEL 28
1 HA ASP 1 HA ASP 1 24.567 8.482 -4.034
2 H1 ASP 1 H1 ASP 1 26.672 9.070 -3.051
3 H2 ASP 1 H2 ASP 1 27.433 8.927 -4.490
4 H3 ASP 1 H3 ASP 1 26.287 10.101 -4.291
5 HB2 ASP 1 HB2 ASP 1 25.780 9.193 -6.428
6 HB3 ASP 1 HB3 ASP 1 25.713 7.424 -6.529
7 H ALA 2 H ALA 2 24.105 6.080 -4.820
8 HA ALA 2 HA ALA 2 24.158 3.886 -4.159
9 HB1 ALA 2 HB3 ALA 2 26.100 2.674 -4.834
10 HB2 ALA 2 HB1 ALA 2 25.938 4.070 -5.916
11 HB3 ALA 2 HB2 ALA 2 27.148 4.090 -4.615
12 H TYR 3 H TYR 3 25.235 5.957 -1.925
13 HA TYR 3 HA TYR 3 26.845 4.611 -0.132
14 HD1 TYR 3 HD2 TYR 3 28.382 6.221 1.132
15 HD2 TYR 3 HD1 TYR 3 24.468 6.703 2.892
16 HE1 TYR 3 HE2 TYR 3 29.408 6.280 3.395
17 HE2 TYR 3 HE1 TYR 3 25.513 6.842 5.151
18 HH TYR 3 HH TYR 3 28.897 6.074 5.705
19 HB2 TYR 3 HB2 TYR 3 26.260 7.041 -0.169
20 HB3 TYR 3 HB3 TYR 3 24.692 6.654 0.530
21 H ALA 4 H ALA 4 23.261 4.541 -0.148
22 HA ALA 4 HA ALA 4 22.845 3.005 2.199
23 HB1 ALA 4 HB3 ALA 4 20.684 2.428 1.143
24 HB2 ALA 4 HB1 ALA 4 21.052 4.150 0.935
25 HB3 ALA 4 HB2 ALA 4 21.273 3.024 -0.423
26 H GLN 5 H GLN 5 23.534 1.944 -1.150
27 HA GLN 5 HA GLN 5 23.362 -0.862 -0.555
28 HB2 GLN 5 HB2 GLN 5 23.132 0.430 -2.809
29 HB3 GLN 5 HB3 GLN 5 24.890 0.246 -2.918
30 HG2 GLN 5 HG2 GLN 5 24.698 -2.178 -2.820
31 HG3 GLN 5 HG3 GLN 5 22.989 -2.087 -2.375
32 HE21 GLN 5 HE22 GLN 5 24.216 -3.517 -4.742
33 HE22 GLN 5 HE21 GLN 5 23.334 -2.746 -6.073
34 H TRP 6 H TRP 6 26.082 1.465 -0.786
35 HA TRP 6 HA TRP 6 28.220 -0.308 -0.229
36 HD1 TRP 6 HD1 TRP 6 30.765 0.786 -1.096
37 HE1 TRP 6 HE1 TRP 6 32.911 0.836 0.357
38 HE3 TRP 6 HE3 TRP 6 28.883 2.964 3.153
39 HZ2 TRP 6 HZ2 TRP 6 33.732 1.867 2.839
40 HZ3 TRP 6 HZ3 TRP 6 30.399 3.455 5.066
41 HH2 TRP 6 HH2 TRP 6 32.825 2.946 4.910
42 HB2 TRP 6 HB2 TRP 6 28.407 2.108 -0.866
43 HB3 TRP 6 HB3 TRP 6 27.918 2.553 0.762
44 H LEU 7 H LEU 7 26.193 1.460 2.180
45 HA LEU 7 HA LEU 7 27.319 0.197 4.492
46 HG LEU 7 HG LEU 7 26.413 3.000 3.869
47 HB2 LEU 7 HB2 LEU 7 24.519 1.274 4.000
48 HB3 LEU 7 HB3 LEU 7 25.142 0.815 5.581
49 HD11 LEU 7 HD11 LEU 7 24.174 3.697 4.375
50 HD12 LEU 7 HD12 LEU 7 24.298 3.119 6.056
51 HD13 LEU 7 HD13 LEU 7 25.243 4.517 5.526
52 HD21 LEU 7 HD23 LEU 7 27.476 3.701 5.937
53 HD22 LEU 7 HD21 LEU 7 26.684 2.394 6.840
54 HD23 LEU 7 HD22 LEU 7 27.912 2.021 5.608
55 H LYS 8 H LYS 8 24.577 -0.843 2.440
56 HA LYS 8 HA LYS 8 23.834 -3.154 3.917
57 HB2 LYS 8 HB2 LYS 8 23.436 -2.101 1.157
58 HB3 LYS 8 HB3 LYS 8 23.260 -3.824 1.275
59 HG2 LYS 8 HG2 LYS 8 21.774 -1.815 3.019
60 HG3 LYS 8 HG3 LYS 8 21.143 -2.515 1.529
61 HD2 LYS 8 HD2 LYS 8 21.797 -4.061 4.086
62 HD3 LYS 8 HD3 LYS 8 20.210 -3.644 3.457
63 HE2 LYS 8 HE2 LYS 8 20.230 -5.693 2.532
64 HE3 LYS 8 HE3 LYS 8 21.185 -4.914 1.271
65 HZ1 LYS 8 HZ3 LYS 8 22.321 -6.879 1.964
66 HZ2 LYS 8 HZ1 LYS 8 23.213 -5.651 2.595
67 HZ3 LYS 8 HZ2 LYS 8 22.204 -6.502 3.558
68 H ASP 9 H ASP 9 26.631 -2.764 1.939
69 HA ASP 9 HA ASP 9 27.268 -5.668 1.936
70 HB2 ASP 9 HB2 ASP 9 28.397 -3.201 0.564
71 HB3 ASP 9 HB3 ASP 9 29.312 -4.699 0.636
72 H GLY 10 H GLY 10 27.229 -3.786 4.439
73 HA2 GLY 10 HA2 GLY 10 28.404 -3.912 6.449
74 HA3 GLY 10 HA3 GLY 10 29.646 -4.902 5.679
75 H GLY 11 H GLY 11 28.720 -1.880 4.172
76 HA2 GLY 11 HA2 GLY 11 29.859 0.040 3.724
77 HA3 GLY 11 HA3 GLY 11 30.513 -0.025 5.357
78 HA PRO 12 HA PRO 12 34.231 -0.733 2.912
79 HB2 PRO 12 HB2 PRO 12 36.152 -0.621 4.840
80 HB3 PRO 12 HB3 PRO 12 35.226 0.806 4.302
81 HG2 PRO 12 HG2 PRO 12 34.809 -0.856 6.784
82 HG3 PRO 12 HG3 PRO 12 34.726 0.923 6.590
83 HD2 PRO 12 HD2 PRO 12 32.533 -0.811 6.589
84 HD3 PRO 12 HD3 PRO 12 32.530 0.820 5.879
85 H SER 13 H SER 13 32.935 -3.026 5.187
86 HA SER 13 HA SER 13 35.014 -4.899 5.377
87 HG SER 13 HG SER 13 33.925 -5.241 7.477
88 HB2 SER 13 HB2 SER 13 32.002 -5.300 5.373
89 HB3 SER 13 HB3 SER 13 33.172 -6.562 5.803
90 H SER 14 H SER 14 32.714 -4.550 2.666
91 HA SER 14 HA SER 14 33.668 -6.977 1.343
92 HG SER 14 HG SER 14 30.344 -6.307 0.860
93 HB2 SER 14 HB2 SER 14 31.820 -4.729 0.518
94 HB3 SER 14 HB3 SER 14 32.305 -6.019 -0.606
95 H GLY 15 H GLY 15 35.557 -4.421 1.907
96 HA2 GLY 15 HA2 GLY 15 37.562 -3.820 0.921
97 HA3 GLY 15 HA3 GLY 15 37.264 -5.005 -0.352
98 H ARG 16 H ARG 16 34.821 -2.605 0.133
99 HA ARG 16 HA ARG 16 35.542 -1.387 -2.483
100 HE ARG 16 HE ARG 16 30.482 -1.511 -3.215
101 HB2 ARG 16 HB2 ARG 16 33.422 -2.837 -2.117
102 HB3 ARG 16 HB3 ARG 16 32.743 -1.447 -1.273
103 HG2 ARG 16 HG2 ARG 16 32.560 -0.190 -3.251
104 HG3 ARG 16 HG3 ARG 16 33.986 -0.947 -3.962
105 HD2 ARG 16 HD2 ARG 16 32.300 -1.718 -5.302
106 HD3 ARG 16 HD3 ARG 16 32.711 -3.074 -4.247
107 HH11 ARG 16 HH11 ARG 16 31.263 -3.983 -5.544
108 HH12 ARG 16 HH12 ARG 16 29.631 -4.593 -5.638
109 HH21 ARG 16 HH21 ARG 16 28.383 -2.458 -3.217
110 HH22 ARG 16 HH22 ARG 16 28.058 -3.732 -4.309
111 HA PRO 17 HA PRO 17 36.138 2.300 -0.092
112 HB2 PRO 17 HB2 PRO 17 36.418 4.224 -2.035
113 HB3 PRO 17 HB3 PRO 17 37.651 2.973 -1.688
114 HG2 PRO 17 HG2 PRO 17 35.564 2.990 -3.875
115 HG3 PRO 17 HG3 PRO 17 37.294 2.537 -3.985
116 HD2 PRO 17 HD2 PRO 17 35.239 0.736 -3.723
117 HD3 PRO 17 HD3 PRO 17 36.885 0.411 -3.101
118 HA PRO 18 HA PRO 18 32.098 4.083 0.364
119 HB2 PRO 18 HB2 PRO 18 32.617 6.446 1.685
120 HB3 PRO 18 HB3 PRO 18 32.671 4.831 2.435
121 HG2 PRO 18 HG2 PRO 18 34.971 6.473 1.361
122 HG3 PRO 18 HG3 PRO 18 34.883 5.550 2.896
123 HD2 PRO 18 HD2 PRO 18 36.115 4.572 0.662
124 HD3 PRO 18 HD3 PRO 18 35.227 3.503 1.789
125 HA PRO 19 HA PRO 19 32.030 6.959 -3.151
126 HB2 PRO 19 HB2 PRO 19 29.443 6.749 -3.869
127 HB3 PRO 19 HB3 PRO 19 30.591 5.396 -4.084
128 HG2 PRO 19 HG2 PRO 19 28.606 5.780 -1.812
129 HG3 PRO 19 HG3 PRO 19 28.903 4.310 -2.788
130 HD2 PRO 19 HD2 PRO 19 30.048 4.808 -0.322
131 HD3 PRO 19 HD3 PRO 19 30.839 3.812 -1.583
132 H SER 20 H SER 20 32.354 9.019 -2.503
133 HA SER 20 HA SER 20 30.082 10.615 -1.413
134 HG SER 20 HG SER 20 33.225 11.270 -1.733
135 HB2 SER 20 HB2 SER 20 31.640 11.836 0.001
136 HB3 SER 20 HB3 SER 20 31.805 10.101 0.391