Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
537706 | 2lco RC | 17619 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA2 ACE 0 23.741 -6.747 -8.422
2 H2 ACE 0 HA3 ACE 0 23.224 -5.704 -7.099
3 H3 ACE 0 HA1 ACE 0 24.796 -5.454 -7.857
4 H GLY 1 HN GLY 1 22.139 -3.834 -7.573
5 HA2 GLY 1 HA2 GLY 1 22.347 -2.492 -10.088
6 HA3 GLY 1 HA1 GLY 1 20.851 -3.411 -9.928
7 H TRP 2 HN TRP 2 19.391 -1.980 -9.591
8 HA TRP 2 HA TRP 2 19.737 0.386 -8.043
9 HB2 TRP 2 HB2 TRP 2 17.041 0.288 -8.276
10 HB3 TRP 2 HB1 TRP 2 18.072 0.834 -9.594
11 HD1 TRP 2 HD1 TRP 2 17.732 -2.698 -8.434
12 HE1 TRP 2 HE1 TRP 2 16.773 -4.167 -10.338
13 HE3 TRP 2 HE3 TRP 2 16.717 0.919 -11.830
14 HZ2 TRP 2 HZ2 TRP 2 15.708 -3.814 -12.964
15 HZ3 TRP 2 HZ3 TRP 2 15.728 0.349 -14.032
16 HH2 TRP 2 HH2 TRP 2 15.222 -2.011 -14.605
17 H TRP 3 HN TRP 3 19.912 -2.561 -6.992
18 HA TRP 3 HA TRP 3 18.029 -2.527 -4.818
19 HB2 TRP 3 HB2 TRP 3 20.428 -4.319 -4.858
20 HB3 TRP 3 HB1 TRP 3 18.822 -4.642 -4.217
21 HD1 TRP 3 HD1 TRP 3 20.871 -5.797 -6.822
22 HE1 TRP 3 HE1 TRP 3 19.557 -6.606 -8.880
23 HE3 TRP 3 HE3 TRP 3 16.346 -3.643 -5.884
24 HZ2 TRP 3 HZ2 TRP 3 16.943 -6.376 -9.977
25 HZ3 TRP 3 HZ3 TRP 3 14.479 -3.942 -7.438
26 HH2 TRP 3 HH2 TRP 3 14.751 -5.310 -9.493
27 H LEU 4 HN LEU 4 21.546 -2.425 -5.033
28 HA LEU 4 HA LEU 4 22.088 -1.828 -2.383
29 HB2 LEU 4 HB2 LEU 4 23.672 -0.605 -4.648
30 HB3 LEU 4 HB1 LEU 4 24.242 -1.152 -3.072
31 HG LEU 4 HG LEU 4 23.181 -3.522 -4.107
32 HD11 LEU 4 HD11 LEU 4 22.763 -2.750 -6.301
33 HD12 LEU 4 HD12 LEU 4 24.228 -3.702 -6.406
34 HD13 LEU 4 HD13 LEU 4 24.320 -1.944 -6.424
35 HD21 LEU 4 HD21 LEU 4 25.569 -4.126 -4.643
36 HD22 LEU 4 HD22 LEU 4 25.355 -3.427 -3.037
37 HD23 LEU 4 HD23 LEU 4 26.010 -2.443 -4.346
38 H ALA 5 HN ALA 5 20.844 0.100 -4.957
39 HA ALA 5 HA ALA 5 21.340 2.706 -4.176
40 HB1 ALA 5 HB1 ALA 5 19.472 3.320 -5.504
41 HB2 ALA 5 HB2 ALA 5 18.663 1.778 -5.217
42 HB3 ALA 5 HB3 ALA 5 20.096 1.844 -6.241
43 H LEU 6 HN LEU 6 19.721 0.328 -2.417
44 HA LEU 6 HA LEU 6 17.928 2.102 -0.984
45 HB2 LEU 6 HB2 LEU 6 18.607 -0.807 -0.547
46 HB3 LEU 6 HB1 LEU 6 17.304 0.079 0.239
47 HG LEU 6 HG LEU 6 17.459 -0.053 -2.777
48 HD11 LEU 6 HD11 LEU 6 17.516 -2.380 -1.978
49 HD12 LEU 6 HD12 LEU 6 15.955 -2.008 -2.709
50 HD13 LEU 6 HD13 LEU 6 16.115 -2.069 -0.954
51 HD21 LEU 6 HD21 LEU 6 15.217 0.347 -0.759
52 HD22 LEU 6 HD22 LEU 6 14.955 0.156 -2.490
53 HD23 LEU 6 HD23 LEU 6 15.854 1.544 -1.888
54 H ALA 7 HN ALA 7 21.120 0.745 -0.624
55 HA ALA 7 HA ALA 7 21.365 0.937 2.171
56 HB1 ALA 7 HB1 ALA 7 23.121 0.428 -0.094
57 HB2 ALA 7 HB2 ALA 7 23.300 -0.124 1.566
58 HB3 ALA 7 HB3 ALA 7 23.949 1.443 1.086
59 HA PRO 8 HA PRO 8 23.400 5.420 1.184
60 HB2 PRO 8 HB2 PRO 8 21.268 5.896 -0.888
61 HB3 PRO 8 HB1 PRO 8 22.871 6.644 -0.734
62 HG2 PRO 8 HG2 PRO 8 22.504 4.717 -2.482
63 HG3 PRO 8 HG1 PRO 8 23.986 4.752 -1.497
64 HD2 PRO 8 HD2 PRO 8 21.636 2.925 -1.259
65 HD3 PRO 8 HD1 PRO 8 23.336 2.632 -0.838
66 H ALA 9 HN ALA 9 19.935 4.924 0.582
67 HA ALA 9 HA ALA 9 19.021 7.065 2.183
68 HB1 ALA 9 HB1 ALA 9 16.834 6.167 1.877
69 HB2 ALA 9 HB2 ALA 9 17.472 4.557 1.543
70 HB3 ALA 9 HB3 ALA 9 17.720 5.861 0.382
71 H LEU 10 HN LEU 10 19.997 3.810 2.966
72 HA LEU 10 HA LEU 10 18.807 3.886 5.604
73 HB2 LEU 10 HB2 LEU 10 18.610 1.689 4.918
74 HB3 LEU 10 HB1 LEU 10 19.900 1.868 3.747
75 HG LEU 10 HG LEU 10 21.548 1.671 5.645
76 HD11 LEU 10 HD11 LEU 10 19.390 0.456 7.363
77 HD12 LEU 10 HD12 LEU 10 19.500 2.210 7.346
78 HD13 LEU 10 HD13 LEU 10 20.893 1.248 7.833
79 HD21 LEU 10 HD21 LEU 10 21.222 -0.788 5.853
80 HD22 LEU 10 HD22 LEU 10 20.996 -0.224 4.197
81 HD23 LEU 10 HD23 LEU 10 19.594 -0.608 5.196
82 H ALA 11 HN ALA 11 21.496 4.889 4.070
83 HA ALA 11 HA ALA 11 23.662 4.482 5.709
84 HB1 ALA 11 HB1 ALA 11 24.599 6.536 4.872
85 HB2 ALA 11 HB2 ALA 11 23.001 7.152 4.456
86 HB3 ALA 11 HB3 ALA 11 23.679 5.788 3.567
87 H LEU 12 HN LEU 12 20.769 6.143 6.462
88 HA LEU 12 HA LEU 12 21.804 7.867 8.483
89 HB2 LEU 12 HB2 LEU 12 18.987 6.795 8.426
90 HB3 LEU 12 HB1 LEU 12 19.557 8.360 9.008
91 HG LEU 12 HG LEU 12 19.537 7.430 6.124
92 HD11 LEU 12 HD11 LEU 12 17.961 9.579 7.576
93 HD12 LEU 12 HD12 LEU 12 17.317 8.041 7.000
94 HD13 LEU 12 HD13 LEU 12 17.884 9.248 5.846
95 HD21 LEU 12 HD21 LEU 12 20.593 9.923 7.484
96 HD22 LEU 12 HD22 LEU 12 20.176 9.902 5.769
97 HD23 LEU 12 HD23 LEU 12 21.446 8.842 6.381
98 H ALA 13 HN ALA 13 19.792 4.919 8.799
99 HA ALA 13 HA ALA 13 20.270 4.593 11.543
100 HB1 ALA 13 HB1 ALA 13 18.533 3.378 10.092
101 HB2 ALA 13 HB2 ALA 13 19.339 2.430 11.342
102 HB3 ALA 13 HB3 ALA 13 19.842 2.277 9.660
103 H LEU 14 HN LEU 14 22.051 3.502 8.695
104 HA LEU 14 HA LEU 14 23.820 1.754 9.936
105 HB2 LEU 14 HB2 LEU 14 23.592 2.238 7.451
106 HB3 LEU 14 HB1 LEU 14 24.569 3.675 7.718
107 HG LEU 14 HG LEU 14 25.664 1.047 8.731
108 HD11 LEU 14 HD11 LEU 14 24.984 0.355 6.537
109 HD12 LEU 14 HD12 LEU 14 26.718 0.669 6.476
110 HD13 LEU 14 HD13 LEU 14 25.585 1.849 5.817
111 HD21 LEU 14 HD21 LEU 14 27.802 2.095 7.938
112 HD22 LEU 14 HD22 LEU 14 26.963 3.088 9.124
113 HD23 LEU 14 HD23 LEU 14 26.884 3.505 7.415
114 H ALA 15 HN ALA 15 24.074 5.269 9.503
115 HA ALA 15 HA ALA 15 26.541 5.587 10.808
116 HB1 ALA 15 HB1 ALA 15 25.514 7.397 9.522
117 HB2 ALA 15 HB2 ALA 15 25.811 7.928 11.177
118 HB3 ALA 15 HB3 ALA 15 24.181 7.482 10.673
119 H LEU 16 HN LEU 16 23.342 4.964 11.976
120 HA LEU 16 HA LEU 16 23.776 5.811 14.657
121 HB2 LEU 16 HB2 LEU 16 21.540 5.427 13.333
122 HB3 LEU 16 HB1 LEU 16 21.682 3.785 13.944
123 HG LEU 16 HG LEU 16 21.600 6.326 15.603
124 HD11 LEU 16 HD11 LEU 16 19.664 4.028 15.204
125 HD12 LEU 16 HD12 LEU 16 19.409 5.722 14.785
126 HD13 LEU 16 HD13 LEU 16 19.499 5.237 16.477
127 HD21 LEU 16 HD21 LEU 16 21.450 4.560 17.502
128 HD22 LEU 16 HD22 LEU 16 23.037 4.847 16.792
129 HD23 LEU 16 HD23 LEU 16 22.104 3.426 16.319
130 H TRP 17 HN TRP 17 23.206 2.439 13.487
131 HA TRP 17 HA TRP 17 24.392 1.417 15.893
132 HB2 TRP 17 HB2 TRP 17 24.122 -0.799 14.829
133 HB3 TRP 17 HB1 TRP 17 22.643 0.131 14.963
134 HD1 TRP 17 HD1 TRP 17 21.537 0.990 12.715
135 HE1 TRP 17 HE1 TRP 17 21.865 0.290 10.254
136 HE3 TRP 17 HE3 TRP 17 25.909 -1.624 13.102
137 HZ2 TRP 17 HZ2 TRP 17 23.721 -1.172 8.668
138 HZ3 TRP 17 HZ3 TRP 17 26.934 -2.661 11.099
139 HH2 TRP 17 HH2 TRP 17 25.847 -2.439 8.881
140 H TRP 18 HN TRP 18 25.520 1.602 12.531
141 HA TRP 18 HA TRP 18 27.829 0.078 12.768
142 HB2 TRP 18 HB2 TRP 18 26.929 1.300 10.686
143 HB3 TRP 18 HB1 TRP 18 27.799 2.711 11.278
144 HD1 TRP 18 HD1 TRP 18 28.440 -0.937 10.235
145 HE1 TRP 18 HE1 TRP 18 30.877 -1.129 9.408
146 HE3 TRP 18 HE3 TRP 18 30.095 3.784 11.254
147 HZ2 TRP 18 HZ2 TRP 18 33.208 0.495 9.208
148 HZ3 TRP 18 HZ3 TRP 18 32.431 4.435 10.734
149 HH2 TRP 18 HH2 TRP 18 33.988 2.798 9.712
150 H ALA 19 HN ALA 19 27.457 3.557 13.333
151 HA ALA 19 HA ALA 19 30.018 3.666 14.760
152 HB1 ALA 19 HB1 ALA 19 29.926 6.014 14.495
153 HB2 ALA 19 HB2 ALA 19 28.195 5.989 14.160
154 HB3 ALA 19 HB3 ALA 19 29.335 5.363 12.967
155 HA1 ETA 20 HA1 ETA 20 26.342 2.282 17.762
156 HA2 ETA 20 HA2 ETA 20 26.556 4.027 17.907
157 HN2 ETA 20 HN ETA 20 27.662 2.332 15.852
158 HB1 ETA 20 HB1 ETA 20 28.710 2.008 18.595
159 HB2 ETA 20 HB2 ETA 20 27.582 2.656 19.778
160 HO ETA 20 HG ETA 20 29.602 3.826 19.597
Start of MODEL 2
1 H1 ACE 0 HA2 ACE 0 23.378 -7.117 -6.067
2 H2 ACE 0 HA3 ACE 0 22.010 -8.185 -6.378
3 H3 ACE 0 HA1 ACE 0 21.783 -6.717 -5.428
4 H GLY 1 HN GLY 1 21.284 -4.832 -6.477
5 HA2 GLY 1 HA2 GLY 1 21.919 -4.349 -9.223
6 HA3 GLY 1 HA1 GLY 1 20.220 -4.746 -8.974
7 H TRP 2 HN TRP 2 19.229 -2.937 -9.172
8 HA TRP 2 HA TRP 2 20.208 -0.422 -8.263
9 HB2 TRP 2 HB2 TRP 2 17.605 0.154 -8.739
10 HB3 TRP 2 HB1 TRP 2 18.783 0.014 -10.040
11 HD1 TRP 2 HD1 TRP 2 17.398 -2.821 -8.044
12 HE1 TRP 2 HE1 TRP 2 16.109 -4.447 -9.593
13 HE3 TRP 2 HE3 TRP 2 17.585 -0.171 -12.357
14 HZ2 TRP 2 HZ2 TRP 2 15.273 -4.572 -12.322
15 HZ3 TRP 2 HZ3 TRP 2 16.540 -1.046 -14.429
16 HH2 TRP 2 HH2 TRP 2 15.385 -3.241 -14.418
17 H TRP 3 HN TRP 3 19.514 -2.885 -6.465
18 HA TRP 3 HA TRP 3 17.665 -1.739 -4.580
19 HB2 TRP 3 HB2 TRP 3 19.437 -4.059 -3.913
20 HB3 TRP 3 HB1 TRP 3 17.793 -3.736 -3.374
21 HD1 TRP 3 HD1 TRP 3 19.468 -6.084 -5.374
22 HE1 TRP 3 HE1 TRP 3 18.016 -7.035 -7.274
23 HE3 TRP 3 HE3 TRP 3 15.752 -2.595 -5.477
24 HZ2 TRP 3 HZ2 TRP 3 15.606 -6.404 -8.646
25 HZ3 TRP 3 HZ3 TRP 3 13.909 -2.784 -7.077
26 HH2 TRP 3 HH2 TRP 3 13.811 -4.684 -8.673
27 H LEU 4 HN LEU 4 21.066 -2.657 -4.470
28 HA LEU 4 HA LEU 4 21.702 -1.528 -2.022
29 HB2 LEU 4 HB2 LEU 4 23.611 -1.450 -4.364
30 HB3 LEU 4 HB1 LEU 4 23.976 -1.667 -2.654
31 HG LEU 4 HG LEU 4 22.304 -3.859 -3.125
32 HD11 LEU 4 HD11 LEU 4 22.162 -3.649 -5.474
33 HD12 LEU 4 HD12 LEU 4 23.300 -4.946 -5.184
34 HD13 LEU 4 HD13 LEU 4 23.884 -3.353 -5.656
35 HD21 LEU 4 HD21 LEU 4 24.434 -5.203 -3.253
36 HD22 LEU 4 HD22 LEU 4 24.398 -4.052 -1.915
37 HD23 LEU 4 HD23 LEU 4 25.327 -3.687 -3.370
38 H ALA 5 HN ALA 5 21.114 -0.129 -5.114
39 HA ALA 5 HA ALA 5 22.309 2.371 -4.965
40 HB1 ALA 5 HB1 ALA 5 20.997 1.311 -6.891
41 HB2 ALA 5 HB2 ALA 5 20.783 3.043 -6.647
42 HB3 ALA 5 HB3 ALA 5 19.546 1.915 -6.089
43 H LEU 6 HN LEU 6 19.705 1.103 -3.091
44 HA LEU 6 HA LEU 6 18.763 3.738 -2.227
45 HB2 LEU 6 HB2 LEU 6 17.724 1.055 -1.347
46 HB3 LEU 6 HB1 LEU 6 16.901 2.614 -1.336
47 HG LEU 6 HG LEU 6 17.716 1.041 -3.792
48 HD11 LEU 6 HD11 LEU 6 15.035 1.693 -2.536
49 HD12 LEU 6 HD12 LEU 6 15.755 0.095 -2.736
50 HD13 LEU 6 HD13 LEU 6 15.225 1.006 -4.150
51 HD21 LEU 6 HD21 LEU 6 16.524 3.801 -3.419
52 HD22 LEU 6 HD22 LEU 6 16.311 2.898 -4.919
53 HD23 LEU 6 HD23 LEU 6 17.929 3.343 -4.380
54 H ALA 7 HN ALA 7 21.191 1.667 -1.379
55 HA ALA 7 HA ALA 7 20.892 1.576 1.447
56 HB1 ALA 7 HB1 ALA 7 22.949 0.488 1.499
57 HB2 ALA 7 HB2 ALA 7 23.591 1.402 0.138
58 HB3 ALA 7 HB3 ALA 7 22.401 0.132 -0.137
59 HA PRO 8 HA PRO 8 24.089 5.384 1.058
60 HB2 PRO 8 HB2 PRO 8 22.346 6.738 -0.985
61 HB3 PRO 8 HB1 PRO 8 24.101 6.852 -0.748
62 HG2 PRO 8 HG2 PRO 8 23.183 5.396 -2.709
63 HG3 PRO 8 HG1 PRO 8 24.497 4.754 -1.695
64 HD2 PRO 8 HD2 PRO 8 21.582 4.059 -1.633
65 HD3 PRO 8 HD1 PRO 8 22.991 2.989 -1.457
66 H ALA 9 HN ALA 9 20.678 5.958 0.285
67 HA ALA 9 HA ALA 9 20.248 8.102 2.050
68 HB1 ALA 9 HB1 ALA 9 17.839 7.553 1.794
69 HB2 ALA 9 HB2 ALA 9 18.296 6.063 0.969
70 HB3 ALA 9 HB3 ALA 9 18.694 7.626 0.253
71 H LEU 10 HN LEU 10 20.590 4.729 2.680
72 HA LEU 10 HA LEU 10 19.228 4.826 5.230
73 HB2 LEU 10 HB2 LEU 10 18.809 2.704 4.425
74 HB3 LEU 10 HB1 LEU 10 20.171 2.781 3.329
75 HG LEU 10 HG LEU 10 21.675 2.281 5.305
76 HD11 LEU 10 HD11 LEU 10 20.830 1.789 7.412
77 HD12 LEU 10 HD12 LEU 10 19.280 1.219 6.795
78 HD13 LEU 10 HD13 LEU 10 19.596 2.943 6.919
79 HD21 LEU 10 HD21 LEU 10 21.113 -0.119 5.279
80 HD22 LEU 10 HD22 LEU 10 20.952 0.577 3.666
81 HD23 LEU 10 HD23 LEU 10 19.514 0.256 4.634
82 H ALA 11 HN ALA 11 22.126 5.564 3.961
83 HA ALA 11 HA ALA 11 24.098 4.795 5.711
84 HB1 ALA 11 HB1 ALA 11 25.265 6.897 5.168
85 HB2 ALA 11 HB2 ALA 11 23.777 7.540 4.475
86 HB3 ALA 11 HB3 ALA 11 24.570 6.152 3.728
87 H LEU 12 HN LEU 12 21.371 6.749 6.384
88 HA LEU 12 HA LEU 12 22.445 8.211 8.581
89 HB2 LEU 12 HB2 LEU 12 19.536 7.479 8.281
90 HB3 LEU 12 HB1 LEU 12 20.239 8.934 8.991
91 HG LEU 12 HG LEU 12 20.269 8.164 6.060
92 HD11 LEU 12 HD11 LEU 12 18.979 10.316 5.866
93 HD12 LEU 12 HD12 LEU 12 18.905 10.373 7.627
94 HD13 LEU 12 HD13 LEU 12 18.124 9.054 6.755
95 HD21 LEU 12 HD21 LEU 12 21.614 10.399 7.601
96 HD22 LEU 12 HD22 LEU 12 21.291 10.521 5.871
97 HD23 LEU 12 HD23 LEU 12 22.353 9.253 6.482
98 H ALA 13 HN ALA 13 20.105 5.500 8.569
99 HA ALA 13 HA ALA 13 20.348 4.956 11.310
100 HB1 ALA 13 HB1 ALA 13 19.803 2.825 9.248
101 HB2 ALA 13 HB2 ALA 13 18.594 4.034 9.680
102 HB3 ALA 13 HB3 ALA 13 19.209 2.923 10.904
103 H LEU 14 HN LEU 14 22.187 3.825 8.512
104 HA LEU 14 HA LEU 14 23.667 1.826 9.747
105 HB2 LEU 14 HB2 LEU 14 23.665 2.472 7.290
106 HB3 LEU 14 HB1 LEU 14 24.773 3.773 7.710
107 HG LEU 14 HG LEU 14 25.502 0.984 8.618
108 HD11 LEU 14 HD11 LEU 14 26.532 0.439 6.483
109 HD12 LEU 14 HD12 LEU 14 25.942 1.946 5.781
110 HD13 LEU 14 HD13 LEU 14 24.801 0.688 6.256
111 HD21 LEU 14 HD21 LEU 14 27.791 1.827 8.027
112 HD22 LEU 14 HD22 LEU 14 26.986 2.838 9.222
113 HD23 LEU 14 HD23 LEU 14 27.070 3.359 7.541
114 H ALA 15 HN ALA 15 24.335 5.307 9.553
115 HA ALA 15 HA ALA 15 26.727 5.272 11.026
116 HB1 ALA 15 HB1 ALA 15 26.309 7.645 11.431
117 HB2 ALA 15 HB2 ALA 15 24.618 7.448 10.969
118 HB3 ALA 15 HB3 ALA 15 25.891 7.244 9.766
119 H LEU 16 HN LEU 16 23.408 4.942 11.957
120 HA LEU 16 HA LEU 16 23.752 5.582 14.707
121 HB2 LEU 16 HB2 LEU 16 21.580 5.527 13.227
122 HB3 LEU 16 HB1 LEU 16 21.501 3.849 13.745
123 HG LEU 16 HG LEU 16 21.582 6.291 15.546
124 HD11 LEU 16 HD11 LEU 16 19.441 4.205 15.024
125 HD12 LEU 16 HD12 LEU 16 19.406 5.880 14.475
126 HD13 LEU 16 HD13 LEU 16 19.325 5.515 16.200
127 HD21 LEU 16 HD21 LEU 16 22.779 4.603 16.722
128 HD22 LEU 16 HD22 LEU 16 21.730 3.320 16.118
129 HD23 LEU 16 HD23 LEU 16 21.130 4.456 17.326
130 H TRP 17 HN TRP 17 22.900 2.371 13.286
131 HA TRP 17 HA TRP 17 23.799 1.080 15.685
132 HB2 TRP 17 HB2 TRP 17 23.351 -1.019 14.480
133 HB3 TRP 17 HB1 TRP 17 21.980 0.071 14.543
134 HD1 TRP 17 HD1 TRP 17 21.121 1.068 12.267
135 HE1 TRP 17 HE1 TRP 17 21.609 0.474 9.805
136 HE3 TRP 17 HE3 TRP 17 25.267 -1.858 12.858
137 HZ2 TRP 17 HZ2 TRP 17 23.494 -1.030 8.293
138 HZ3 TRP 17 HZ3 TRP 17 26.388 -2.859 10.888
139 HH2 TRP 17 HH2 TRP 17 25.509 -2.449 8.606
140 H TRP 18 HN TRP 18 25.172 1.345 12.423
141 HA TRP 18 HA TRP 18 27.279 -0.444 12.685
142 HB2 TRP 18 HB2 TRP 18 26.667 1.001 10.648
143 HB3 TRP 18 HB1 TRP 18 27.629 2.271 11.401
144 HD1 TRP 18 HD1 TRP 18 27.967 -1.321 10.079
145 HE1 TRP 18 HE1 TRP 18 30.431 -1.721 9.422
146 HE3 TRP 18 HE3 TRP 18 30.031 3.064 11.679
147 HZ2 TRP 18 HZ2 TRP 18 32.931 -0.366 9.555
148 HZ3 TRP 18 HZ3 TRP 18 32.458 3.485 11.402
149 HH2 TRP 18 HH2 TRP 18 33.912 1.777 10.343
150 H ALA 19 HN ALA 19 27.257 3.007 13.481
151 HA ALA 19 HA ALA 19 29.664 2.687 15.147
152 HB1 ALA 19 HB1 ALA 19 29.939 4.450 13.572
153 HB2 ALA 19 HB2 ALA 19 29.607 5.229 15.120
154 HB3 ALA 19 HB3 ALA 19 28.332 5.092 13.909
155 HA1 ETA 20 HA1 ETA 20 25.550 1.899 17.728
156 HA2 ETA 20 HA2 ETA 20 25.951 3.611 17.861
157 HN2 ETA 20 HN ETA 20 27.066 1.737 15.979
158 HB1 ETA 20 HB1 ETA 20 28.131 2.886 18.951
159 HB2 ETA 20 HB2 ETA 20 27.461 1.262 19.025
160 HO ETA 20 HG ETA 20 26.789 2.066 20.886
Start of MODEL 3
1 H1 ACE 0 HA2 ACE 0 23.060 -6.039 -6.340
2 H2 ACE 0 HA3 ACE 0 24.641 -5.920 -7.117
3 H3 ACE 0 HA1 ACE 0 23.535 -7.219 -7.561
4 H GLY 1 HN GLY 1 22.038 -4.187 -6.990
5 HA2 GLY 1 HA2 GLY 1 22.296 -3.091 -9.618
6 HA3 GLY 1 HA1 GLY 1 20.767 -3.933 -9.375
7 H TRP 2 HN TRP 2 19.363 -2.423 -9.179
8 HA TRP 2 HA TRP 2 19.799 0.063 -7.861
9 HB2 TRP 2 HB2 TRP 2 17.101 0.044 -8.088
10 HB3 TRP 2 HB1 TRP 2 18.150 0.425 -9.450
11 HD1 TRP 2 HD1 TRP 2 17.676 -2.966 -7.963
12 HE1 TRP 2 HE1 TRP 2 16.662 -4.571 -9.724
13 HE3 TRP 2 HE3 TRP 2 16.804 0.350 -11.691
14 HZ2 TRP 2 HZ2 TRP 2 15.614 -4.427 -12.378
15 HZ3 TRP 2 HZ3 TRP 2 15.796 -0.387 -13.833
16 HH2 TRP 2 HH2 TRP 2 15.199 -2.770 -14.183
17 H TRP 3 HN TRP 3 19.863 -2.778 -6.536
18 HA TRP 3 HA TRP 3 17.988 -2.465 -4.378
19 HB2 TRP 3 HB2 TRP 3 20.315 -4.344 -4.245
20 HB3 TRP 3 HB1 TRP 3 18.698 -4.542 -3.580
21 HD1 TRP 3 HD1 TRP 3 20.696 -6.016 -6.060
22 HE1 TRP 3 HE1 TRP 3 19.348 -6.963 -8.035
23 HE3 TRP 3 HE3 TRP 3 16.260 -3.610 -5.336
24 HZ2 TRP 3 HZ2 TRP 3 16.742 -6.736 -9.152
25 HZ3 TRP 3 HZ3 TRP 3 14.379 -3.983 -6.857
26 HH2 TRP 3 HH2 TRP 3 14.593 -5.545 -8.775
27 H LEU 4 HN LEU 4 21.505 -2.514 -4.601
28 HA LEU 4 HA LEU 4 22.078 -1.692 -2.021
29 HB2 LEU 4 HB2 LEU 4 23.696 -0.748 -4.392
30 HB3 LEU 4 HB1 LEU 4 24.253 -1.158 -2.771
31 HG LEU 4 HG LEU 4 23.108 -3.580 -3.569
32 HD11 LEU 4 HD11 LEU 4 24.290 -2.275 -6.028
33 HD12 LEU 4 HD12 LEU 4 22.708 -3.013 -5.828
34 HD13 LEU 4 HD13 LEU 4 24.139 -4.019 -5.839
35 HD21 LEU 4 HD21 LEU 4 25.970 -2.626 -3.915
36 HD22 LEU 4 HD22 LEU 4 25.473 -4.313 -4.045
37 HD23 LEU 4 HD23 LEU 4 25.288 -3.456 -2.514
38 H ALA 5 HN ALA 5 20.898 0.031 -4.766
39 HA ALA 5 HA ALA 5 21.494 2.678 -4.233
40 HB1 ALA 5 HB1 ALA 5 18.780 1.757 -5.182
41 HB2 ALA 5 HB2 ALA 5 20.212 1.676 -6.208
42 HB3 ALA 5 HB3 ALA 5 19.645 3.235 -5.611
43 H LEU 6 HN LEU 6 19.749 0.534 -2.278
44 HA LEU 6 HA LEU 6 18.064 2.526 -1.008
45 HB2 LEU 6 HB2 LEU 6 18.556 -0.371 -0.320
46 HB3 LEU 6 HB1 LEU 6 17.304 0.657 0.364
47 HG LEU 6 HG LEU 6 17.508 0.197 -2.618
48 HD11 LEU 6 HD11 LEU 6 15.834 -1.587 -2.377
49 HD12 LEU 6 HD12 LEU 6 15.903 -1.426 -0.622
50 HD13 LEU 6 HD13 LEU 6 17.313 -2.002 -1.510
51 HD21 LEU 6 HD21 LEU 6 15.308 1.122 -0.730
52 HD22 LEU 6 HD22 LEU 6 15.001 0.652 -2.398
53 HD23 LEU 6 HD23 LEU 6 16.043 2.027 -2.054
54 H ALA 7 HN ALA 7 21.160 0.992 -0.500
55 HA ALA 7 HA ALA 7 21.411 1.379 2.266
56 HB1 ALA 7 HB1 ALA 7 24.020 1.702 1.162
57 HB2 ALA 7 HB2 ALA 7 23.154 0.642 0.056
58 HB3 ALA 7 HB3 ALA 7 23.300 0.198 1.749
59 HA PRO 8 HA PRO 8 23.644 5.689 0.999
60 HB2 PRO 8 HB2 PRO 8 21.537 6.124 -1.105
61 HB3 PRO 8 HB1 PRO 8 23.170 6.812 -0.994
62 HG2 PRO 8 HG2 PRO 8 22.727 4.795 -2.616
63 HG3 PRO 8 HG1 PRO 8 24.203 4.824 -1.623
64 HD2 PRO 8 HD2 PRO 8 21.764 3.134 -1.284
65 HD3 PRO 8 HD1 PRO 8 23.448 2.781 -0.841
66 H ALA 9 HN ALA 9 20.161 5.309 0.422
67 HA ALA 9 HA ALA 9 19.376 7.578 1.939
68 HB1 ALA 9 HB1 ALA 9 17.730 5.161 1.173
69 HB2 ALA 9 HB2 ALA 9 17.981 6.579 0.156
70 HB3 ALA 9 HB3 ALA 9 17.109 6.731 1.680
71 H LEU 10 HN LEU 10 19.986 4.228 2.757
72 HA LEU 10 HA LEU 10 18.804 4.465 5.384
73 HB2 LEU 10 HB2 LEU 10 18.386 2.290 4.720
74 HB3 LEU 10 HB1 LEU 10 19.696 2.323 3.558
75 HG LEU 10 HG LEU 10 21.300 1.981 5.477
76 HD11 LEU 10 HD11 LEU 10 19.314 2.742 7.152
77 HD12 LEU 10 HD12 LEU 10 20.572 1.624 7.660
78 HD13 LEU 10 HD13 LEU 10 19.000 1.006 7.167
79 HD21 LEU 10 HD21 LEU 10 20.570 -0.451 5.785
80 HD22 LEU 10 HD22 LEU 10 20.735 0.101 4.118
81 HD23 LEU 10 HD23 LEU 10 19.134 -0.038 4.846
82 H ALA 11 HN ALA 11 21.583 5.170 3.860
83 HA ALA 11 HA ALA 11 23.698 4.566 5.503
84 HB1 ALA 11 HB1 ALA 11 24.839 6.480 4.629
85 HB2 ALA 11 HB2 ALA 11 23.320 7.295 4.264
86 HB3 ALA 11 HB3 ALA 11 23.799 5.869 3.343
87 H LEU 12 HN LEU 12 20.980 6.509 6.246
88 HA LEU 12 HA LEU 12 22.183 8.131 8.259
89 HB2 LEU 12 HB2 LEU 12 19.272 7.348 8.196
90 HB3 LEU 12 HB1 LEU 12 19.994 8.847 8.781
91 HG LEU 12 HG LEU 12 19.860 7.920 5.899
92 HD11 LEU 12 HD11 LEU 12 18.543 10.190 7.419
93 HD12 LEU 12 HD12 LEU 12 17.739 8.799 6.691
94 HD13 LEU 12 HD13 LEU 12 18.498 10.016 5.664
95 HD21 LEU 12 HD21 LEU 12 20.807 10.291 5.528
96 HD22 LEU 12 HD22 LEU 12 21.936 9.078 6.128
97 HD23 LEU 12 HD23 LEU 12 21.243 10.261 7.238
98 H ALA 13 HN ALA 13 19.866 5.422 8.597
99 HA ALA 13 HA ALA 13 20.318 5.055 11.340
100 HB1 ALA 13 HB1 ALA 13 18.455 4.028 9.897
101 HB2 ALA 13 HB2 ALA 13 19.157 3.004 11.150
102 HB3 ALA 13 HB3 ALA 13 19.636 2.789 9.470
103 H LEU 14 HN LEU 14 21.984 3.809 8.492
104 HA LEU 14 HA LEU 14 23.549 1.861 9.701
105 HB2 LEU 14 HB2 LEU 14 23.398 2.434 7.229
106 HB3 LEU 14 HB1 LEU 14 24.520 3.751 7.545
107 HG LEU 14 HG LEU 14 25.317 0.993 8.488
108 HD11 LEU 14 HD11 LEU 14 25.353 1.883 5.599
109 HD12 LEU 14 HD12 LEU 14 24.592 0.440 6.271
110 HD13 LEU 14 HD13 LEU 14 26.350 0.572 6.229
111 HD21 LEU 14 HD21 LEU 14 26.820 2.872 8.952
112 HD22 LEU 14 HD22 LEU 14 26.807 3.342 7.256
113 HD23 LEU 14 HD23 LEU 14 27.564 1.828 7.744
114 H ALA 15 HN ALA 15 24.160 5.342 9.383
115 HA ALA 15 HA ALA 15 26.638 5.369 10.705
116 HB1 ALA 15 HB1 ALA 15 24.559 7.558 10.863
117 HB2 ALA 15 HB2 ALA 15 25.551 7.282 9.432
118 HB3 ALA 15 HB3 ALA 15 26.312 7.725 10.959
119 H LEU 16 HN LEU 16 23.386 5.029 11.851
120 HA LEU 16 HA LEU 16 23.900 5.739 14.557
121 HB2 LEU 16 HB2 LEU 16 21.631 5.656 13.258
122 HB3 LEU 16 HB1 LEU 16 21.616 3.969 13.758
123 HG LEU 16 HG LEU 16 22.142 4.959 16.158
124 HD11 LEU 16 HD11 LEU 16 20.889 7.322 14.720
125 HD12 LEU 16 HD12 LEU 16 22.455 7.287 15.526
126 HD13 LEU 16 HD13 LEU 16 20.976 7.163 16.472
127 HD21 LEU 16 HD21 LEU 16 19.426 5.146 14.809
128 HD22 LEU 16 HD22 LEU 16 19.669 5.218 16.555
129 HD23 LEU 16 HD23 LEU 16 20.085 3.753 15.667
130 H TRP 17 HN TRP 17 22.983 2.482 13.294
131 HA TRP 17 HA TRP 17 24.053 1.278 15.669
132 HB2 TRP 17 HB2 TRP 17 23.561 -0.877 14.488
133 HB3 TRP 17 HB1 TRP 17 22.193 0.187 14.754
134 HD1 TRP 17 HD1 TRP 17 21.264 1.521 12.589
135 HE1 TRP 17 HE1 TRP 17 21.333 0.884 10.089
136 HE3 TRP 17 HE3 TRP 17 24.917 -2.049 12.674
137 HZ2 TRP 17 HZ2 TRP 17 22.739 -0.889 8.364
138 HZ3 TRP 17 HZ3 TRP 17 25.601 -3.196 10.586
139 HH2 TRP 17 HH2 TRP 17 24.518 -2.621 8.431
140 H TRP 18 HN TRP 18 25.201 1.449 12.313
141 HA TRP 18 HA TRP 18 27.335 -0.321 12.501
142 HB2 TRP 18 HB2 TRP 18 26.580 1.057 10.459
143 HB3 TRP 18 HB1 TRP 18 27.595 2.346 11.098
144 HD1 TRP 18 HD1 TRP 18 27.854 -1.324 9.962
145 HE1 TRP 18 HE1 TRP 18 30.258 -1.745 9.123
146 HE3 TRP 18 HE3 TRP 18 29.983 3.180 11.075
147 HZ2 TRP 18 HZ2 TRP 18 32.741 -0.364 8.947
148 HZ3 TRP 18 HZ3 TRP 18 32.372 3.601 10.561
149 HH2 TRP 18 HH2 TRP 18 33.753 1.837 9.499
150 H ALA 19 HN ALA 19 27.333 3.157 13.183
151 HA ALA 19 HA ALA 19 29.901 2.964 14.573
152 HB1 ALA 19 HB1 ALA 19 28.264 5.460 14.169
153 HB2 ALA 19 HB2 ALA 19 29.314 4.820 12.905
154 HB3 ALA 19 HB3 ALA 19 29.999 5.323 14.450
155 HA1 ETA 20 HA1 ETA 20 26.159 1.723 17.569
156 HA2 ETA 20 HA2 ETA 20 26.558 3.420 17.832
157 HN2 ETA 20 HN ETA 20 27.442 1.776 15.632
158 HB1 ETA 20 HB1 ETA 20 28.267 1.001 18.480
159 HB2 ETA 20 HB2 ETA 20 27.543 2.124 19.624
160 HO ETA 20 HG ETA 20 29.505 2.776 17.694
Start of MODEL 4
1 H1 ACE 0 HA2 ACE 0 23.611 -6.881 -8.330
2 H2 ACE 0 HA3 ACE 0 23.125 -5.822 -7.006
3 H3 ACE 0 HA1 ACE 0 24.677 -5.577 -7.809
4 H GLY 1 HN GLY 1 22.016 -3.966 -7.481
5 HA2 GLY 1 HA2 GLY 1 22.157 -2.655 -10.017
6 HA3 GLY 1 HA1 GLY 1 20.670 -3.577 -9.808
7 H TRP 2 HN TRP 2 19.213 -2.153 -9.455
8 HA TRP 2 HA TRP 2 19.580 0.238 -7.951
9 HB2 TRP 2 HB2 TRP 2 16.879 0.117 -8.117
10 HB3 TRP 2 HB1 TRP 2 17.876 0.655 -9.465
11 HD1 TRP 2 HD1 TRP 2 17.577 -2.861 -8.247
12 HE1 TRP 2 HE1 TRP 2 16.591 -4.365 -10.111
13 HE3 TRP 2 HE3 TRP 2 16.489 0.698 -11.679
14 HZ2 TRP 2 HZ2 TRP 2 15.480 -4.056 -12.725
15 HZ3 TRP 2 HZ3 TRP 2 15.466 0.092 -13.855
16 HH2 TRP 2 HH2 TRP 2 14.959 -2.279 -14.384
17 H TRP 3 HN TRP 3 19.802 -2.691 -6.860
18 HA TRP 3 HA TRP 3 17.972 -2.634 -4.640
19 HB2 TRP 3 HB2 TRP 3 20.377 -4.415 -4.715
20 HB3 TRP 3 HB1 TRP 3 18.789 -4.737 -4.030
21 HD1 TRP 3 HD1 TRP 3 20.778 -5.915 -6.671
22 HE1 TRP 3 HE1 TRP 3 19.417 -6.760 -8.683
23 HE3 TRP 3 HE3 TRP 3 16.267 -3.776 -5.643
24 HZ2 TRP 3 HZ2 TRP 3 16.773 -6.560 -9.713
25 HZ3 TRP 3 HZ3 TRP 3 14.361 -4.107 -7.142
26 HH2 TRP 3 HH2 TRP 3 14.587 -5.499 -9.187
27 H LEU 4 HN LEU 4 21.481 -2.515 -4.950
28 HA LEU 4 HA LEU 4 22.091 -1.876 -2.327
29 HB2 LEU 4 HB2 LEU 4 23.602 -0.681 -4.654
30 HB3 LEU 4 HB1 LEU 4 24.222 -1.194 -3.086
31 HG LEU 4 HG LEU 4 23.147 -3.591 -4.048
32 HD11 LEU 4 HD11 LEU 4 24.137 -3.807 -6.369
33 HD12 LEU 4 HD12 LEU 4 24.217 -2.050 -6.421
34 HD13 LEU 4 HD13 LEU 4 22.668 -2.860 -6.243
35 HD21 LEU 4 HD21 LEU 4 25.347 -3.463 -3.035
36 HD22 LEU 4 HD22 LEU 4 25.963 -2.500 -4.379
37 HD23 LEU 4 HD23 LEU 4 25.525 -4.190 -4.634
38 H ALA 5 HN ALA 5 20.763 0.005 -4.893
39 HA ALA 5 HA ALA 5 21.266 2.625 -4.170
40 HB1 ALA 5 HB1 ALA 5 19.966 1.728 -6.181
41 HB2 ALA 5 HB2 ALA 5 19.350 3.207 -5.445
42 HB3 ALA 5 HB3 ALA 5 18.565 1.662 -5.111
43 H LEU 6 HN LEU 6 19.718 0.269 -2.320
44 HA LEU 6 HA LEU 6 17.961 2.060 -0.861
45 HB2 LEU 6 HB2 LEU 6 18.666 -0.838 -0.397
46 HB3 LEU 6 HB1 LEU 6 17.384 0.055 0.415
47 HG LEU 6 HG LEU 6 17.447 -0.131 -2.601
48 HD11 LEU 6 HD11 LEU 6 17.538 -2.442 -1.690
49 HD12 LEU 6 HD12 LEU 6 16.003 -2.098 -2.488
50 HD13 LEU 6 HD13 LEU 6 16.101 -2.098 -0.727
51 HD21 LEU 6 HD21 LEU 6 14.951 0.077 -2.239
52 HD22 LEU 6 HD22 LEU 6 15.866 1.480 -1.701
53 HD23 LEU 6 HD23 LEU 6 15.269 0.313 -0.523
54 H ALA 7 HN ALA 7 21.165 0.713 -0.577
55 HA ALA 7 HA ALA 7 21.504 0.952 2.202
56 HB1 ALA 7 HB1 ALA 7 23.426 -0.102 1.549
57 HB2 ALA 7 HB2 ALA 7 24.047 1.461 1.024
58 HB3 ALA 7 HB3 ALA 7 23.188 0.426 -0.113
59 HA PRO 8 HA PRO 8 23.476 5.434 1.080
60 HB2 PRO 8 HB2 PRO 8 21.258 5.860 -0.912
61 HB3 PRO 8 HB1 PRO 8 22.857 6.629 -0.830
62 HG2 PRO 8 HG2 PRO 8 22.448 4.675 -2.537
63 HG3 PRO 8 HG1 PRO 8 23.964 4.738 -1.608
64 HD2 PRO 8 HD2 PRO 8 21.645 2.891 -1.260
65 HD3 PRO 8 HD1 PRO 8 23.361 2.621 -0.895
66 H ALA 9 HN ALA 9 19.992 4.900 0.627
67 HA ALA 9 HA ALA 9 19.112 7.057 2.218
68 HB1 ALA 9 HB1 ALA 9 17.707 5.843 0.555
69 HB2 ALA 9 HB2 ALA 9 16.929 6.021 2.128
70 HB3 ALA 9 HB3 ALA 9 17.641 4.475 1.667
71 H LEU 10 HN LEU 10 20.238 3.872 3.049
72 HA LEU 10 HA LEU 10 19.191 3.988 5.746
73 HB2 LEU 10 HB2 LEU 10 19.048 1.755 5.182
74 HB3 LEU 10 HB1 LEU 10 20.205 1.949 3.883
75 HG LEU 10 HG LEU 10 22.034 1.893 5.663
76 HD11 LEU 10 HD11 LEU 10 20.026 0.557 7.478
77 HD12 LEU 10 HD12 LEU 10 20.141 2.308 7.511
78 HD13 LEU 10 HD13 LEU 10 21.557 1.332 7.878
79 HD21 LEU 10 HD21 LEU 10 20.189 -0.445 5.134
80 HD22 LEU 10 HD22 LEU 10 21.726 -0.632 5.980
81 HD23 LEU 10 HD23 LEU 10 21.702 -0.044 4.318
82 H ALA 11 HN ALA 11 21.757 5.035 4.039
83 HA ALA 11 HA ALA 11 24.005 4.752 5.601
84 HB1 ALA 11 HB1 ALA 11 23.242 7.338 4.238
85 HB2 ALA 11 HB2 ALA 11 23.897 5.936 3.389
86 HB3 ALA 11 HB3 ALA 11 24.867 6.761 4.608
87 H LEU 12 HN LEU 12 21.188 6.718 6.219
88 HA LEU 12 HA LEU 12 22.374 8.348 8.230
89 HB2 LEU 12 HB2 LEU 12 19.445 7.645 8.116
90 HB3 LEU 12 HB1 LEU 12 20.196 9.143 8.669
91 HG LEU 12 HG LEU 12 20.101 8.124 5.816
92 HD11 LEU 12 HD11 LEU 12 17.994 9.108 6.604
93 HD12 LEU 12 HD12 LEU 12 18.775 10.190 5.452
94 HD13 LEU 12 HD13 LEU 12 18.857 10.533 7.180
95 HD21 LEU 12 HD21 LEU 12 21.131 10.448 5.390
96 HD22 LEU 12 HD22 LEU 12 22.206 9.224 6.061
97 HD23 LEU 12 HD23 LEU 12 21.523 10.467 7.110
98 H ALA 13 HN ALA 13 19.988 5.704 8.572
99 HA ALA 13 HA ALA 13 20.391 5.417 11.340
100 HB1 ALA 13 HB1 ALA 13 18.433 4.390 10.571
101 HB2 ALA 13 HB2 ALA 13 19.487 3.004 10.850
102 HB3 ALA 13 HB3 ALA 13 19.252 3.622 9.216
103 H LEU 14 HN LEU 14 22.092 4.105 8.546
104 HA LEU 14 HA LEU 14 23.534 2.083 9.802
105 HB2 LEU 14 HB2 LEU 14 23.479 2.700 7.323
106 HB3 LEU 14 HB1 LEU 14 24.663 3.943 7.698
107 HG LEU 14 HG LEU 14 25.282 1.137 8.626
108 HD11 LEU 14 HD11 LEU 14 24.518 0.735 6.342
109 HD12 LEU 14 HD12 LEU 14 26.272 0.577 6.429
110 HD13 LEU 14 HD13 LEU 14 25.552 2.034 5.747
111 HD21 LEU 14 HD21 LEU 14 27.581 1.831 8.033
112 HD22 LEU 14 HD22 LEU 14 26.837 3.019 9.098
113 HD23 LEU 14 HD23 LEU 14 26.959 3.342 7.372
114 H ALA 15 HN ALA 15 24.286 5.540 9.488
115 HA ALA 15 HA ALA 15 26.716 5.501 10.884
116 HB1 ALA 15 HB1 ALA 15 26.414 7.869 11.183
117 HB2 ALA 15 HB2 ALA 15 24.669 7.728 10.970
118 HB3 ALA 15 HB3 ALA 15 25.749 7.451 9.604
119 H LEU 16 HN LEU 16 23.432 5.231 11.952
120 HA LEU 16 HA LEU 16 23.881 5.922 14.671
121 HB2 LEU 16 HB2 LEU 16 21.656 5.831 13.275
122 HB3 LEU 16 HB1 LEU 16 21.599 4.166 13.834
123 HG LEU 16 HG LEU 16 21.746 6.649 15.576
124 HD11 LEU 16 HD11 LEU 16 19.510 5.952 16.303
125 HD12 LEU 16 HD12 LEU 16 19.584 4.545 15.243
126 HD13 LEU 16 HD13 LEU 16 19.534 6.168 14.553
127 HD21 LEU 16 HD21 LEU 16 21.913 3.690 16.208
128 HD22 LEU 16 HD22 LEU 16 21.354 4.854 17.410
129 HD23 LEU 16 HD23 LEU 16 22.981 4.986 16.748
130 H TRP 17 HN TRP 17 22.945 2.678 13.393
131 HA TRP 17 HA TRP 17 23.971 1.456 15.778
132 HB2 TRP 17 HB2 TRP 17 23.461 -0.690 14.581
133 HB3 TRP 17 HB1 TRP 17 22.106 0.393 14.841
134 HD1 TRP 17 HD1 TRP 17 21.228 1.768 12.676
135 HE1 TRP 17 HE1 TRP 17 21.310 1.145 10.173
136 HE3 TRP 17 HE3 TRP 17 24.803 -1.881 12.779
137 HZ2 TRP 17 HZ2 TRP 17 22.698 -0.648 8.451
138 HZ3 TRP 17 HZ3 TRP 17 25.485 -3.030 10.691
139 HH2 TRP 17 HH2 TRP 17 24.438 -2.419 8.527
140 H TRP 18 HN TRP 18 25.157 1.635 12.442
141 HA TRP 18 HA TRP 18 27.257 -0.174 12.624
142 HB2 TRP 18 HB2 TRP 18 26.545 1.235 10.595
143 HB3 TRP 18 HB1 TRP 18 27.565 2.507 11.261
144 HD1 TRP 18 HD1 TRP 18 27.819 -1.174 10.137
145 HE1 TRP 18 HE1 TRP 18 30.222 -1.596 9.295
146 HE3 TRP 18 HE3 TRP 18 29.935 3.352 11.192
147 HZ2 TRP 18 HZ2 TRP 18 32.699 -0.207 9.096
148 HZ3 TRP 18 HZ3 TRP 18 32.320 3.775 10.665
149 HH2 TRP 18 HH2 TRP 18 33.705 2.003 9.619
150 H ALA 19 HN ALA 19 27.314 3.298 13.354
151 HA ALA 19 HA ALA 19 29.893 3.069 14.687
152 HB1 ALA 19 HB1 ALA 19 28.188 5.545 14.532
153 HB2 ALA 19 HB2 ALA 19 29.186 5.020 13.177
154 HB3 ALA 19 HB3 ALA 19 29.939 5.428 14.718
155 HA1 ETA 20 HA1 ETA 20 27.763 1.889 18.411
156 HA2 ETA 20 HA2 ETA 20 26.188 1.602 17.673
157 HN2 ETA 20 HN ETA 20 27.408 1.814 15.711
158 HB1 ETA 20 HB1 ETA 20 26.194 4.260 17.479
159 HB2 ETA 20 HB2 ETA 20 27.305 4.131 18.836
160 HO ETA 20 HG ETA 20 25.506 2.479 19.502
Start of MODEL 5
1 H1 ACE 0 HA2 ACE 0 22.769 -6.298 -5.871
2 H2 ACE 0 HA3 ACE 0 24.374 -6.311 -6.604
3 H3 ACE 0 HA1 ACE 0 23.207 -7.568 -7.012
4 H GLY 1 HN GLY 1 21.884 -4.423 -6.647
5 HA2 GLY 1 HA2 GLY 1 22.272 -3.492 -9.322
6 HA3 GLY 1 HA1 GLY 1 20.690 -4.231 -9.080
7 H TRP 2 HN TRP 2 19.372 -2.637 -9.003
8 HA TRP 2 HA TRP 2 19.915 -0.111 -7.807
9 HB2 TRP 2 HB2 TRP 2 17.227 0.008 -8.114
10 HB3 TRP 2 HB1 TRP 2 18.334 0.257 -9.461
11 HD1 TRP 2 HD1 TRP 2 17.622 -3.015 -7.811
12 HE1 TRP 2 HE1 TRP 2 16.568 -4.656 -9.515
13 HE3 TRP 2 HE3 TRP 2 17.053 0.132 -11.736
14 HZ2 TRP 2 HZ2 TRP 2 15.608 -4.600 -12.204
15 HZ3 TRP 2 HZ3 TRP 2 16.067 -0.663 -13.868
16 HH2 TRP 2 HH2 TRP 2 15.342 -3.024 -14.108
17 H TRP 3 HN TRP 3 19.781 -2.873 -6.333
18 HA TRP 3 HA TRP 3 17.870 -2.340 -4.251
19 HB2 TRP 3 HB2 TRP 3 20.081 -4.336 -3.949
20 HB3 TRP 3 HB1 TRP 3 18.440 -4.408 -3.322
21 HD1 TRP 3 HD1 TRP 3 20.415 -6.121 -5.663
22 HE1 TRP 3 HE1 TRP 3 19.067 -7.098 -7.625
23 HE3 TRP 3 HE3 TRP 3 16.105 -3.439 -5.195
24 HZ2 TRP 3 HZ2 TRP 3 16.509 -6.788 -8.827
25 HZ3 TRP 3 HZ3 TRP 3 14.246 -3.787 -6.748
26 HH2 TRP 3 HH2 TRP 3 14.422 -5.461 -8.575
27 H LEU 4 HN LEU 4 21.382 -2.599 -4.365
28 HA LEU 4 HA LEU 4 21.934 -1.669 -1.817
29 HB2 LEU 4 HB2 LEU 4 23.665 -0.952 -4.187
30 HB3 LEU 4 HB1 LEU 4 24.155 -1.301 -2.531
31 HG LEU 4 HG LEU 4 22.889 -3.696 -3.230
32 HD11 LEU 4 HD11 LEU 4 24.219 -2.601 -5.718
33 HD12 LEU 4 HD12 LEU 4 22.587 -3.227 -5.528
34 HD13 LEU 4 HD13 LEU 4 23.951 -4.320 -5.441
35 HD21 LEU 4 HD21 LEU 4 25.812 -2.930 -3.542
36 HD22 LEU 4 HD22 LEU 4 25.218 -4.590 -3.592
37 HD23 LEU 4 HD23 LEU 4 25.044 -3.636 -2.119
38 H ALA 5 HN ALA 5 20.926 -0.036 -4.684
39 HA ALA 5 HA ALA 5 21.660 2.598 -4.274
40 HB1 ALA 5 HB1 ALA 5 20.367 1.565 -6.227
41 HB2 ALA 5 HB2 ALA 5 19.876 3.183 -5.726
42 HB3 ALA 5 HB3 ALA 5 18.919 1.781 -5.242
43 H LEU 6 HN LEU 6 19.800 0.662 -2.236
44 HA LEU 6 HA LEU 6 18.187 2.799 -1.106
45 HB2 LEU 6 HB2 LEU 6 18.503 -0.086 -0.276
46 HB3 LEU 6 HB1 LEU 6 17.294 1.042 0.330
47 HG LEU 6 HG LEU 6 17.518 0.465 -2.629
48 HD11 LEU 6 HD11 LEU 6 17.248 -1.704 -1.484
49 HD12 LEU 6 HD12 LEU 6 15.785 -1.260 -2.362
50 HD13 LEU 6 HD13 LEU 6 15.854 -1.068 -0.611
51 HD21 LEU 6 HD21 LEU 6 15.050 1.020 -2.485
52 HD22 LEU 6 HD22 LEU 6 16.110 2.362 -2.067
53 HD23 LEU 6 HD23 LEU 6 15.298 1.449 -0.796
54 H ALA 7 HN ALA 7 21.164 1.087 -0.452
55 HA ALA 7 HA ALA 7 21.407 1.578 2.291
56 HB1 ALA 7 HB1 ALA 7 23.253 0.302 1.849
57 HB2 ALA 7 HB2 ALA 7 24.041 1.740 1.202
58 HB3 ALA 7 HB3 ALA 7 23.134 0.677 0.133
59 HA PRO 8 HA PRO 8 23.855 5.727 0.895
60 HB2 PRO 8 HB2 PRO 8 21.783 6.187 -1.239
61 HB3 PRO 8 HB1 PRO 8 23.446 6.802 -1.138
62 HG2 PRO 8 HG2 PRO 8 22.928 4.755 -2.693
63 HG3 PRO 8 HG1 PRO 8 24.391 4.747 -1.681
64 HD2 PRO 8 HD2 PRO 8 21.867 3.193 -1.316
65 HD3 PRO 8 HD1 PRO 8 23.526 2.767 -0.845
66 H ALA 9 HN ALA 9 20.360 5.497 0.309
67 HA ALA 9 HA ALA 9 19.688 7.850 1.759
68 HB1 ALA 9 HB1 ALA 9 18.290 6.798 -0.045
69 HB2 ALA 9 HB2 ALA 9 17.402 7.209 1.423
70 HB3 ALA 9 HB3 ALA 9 17.863 5.535 1.110
71 H LEU 10 HN LEU 10 20.083 4.487 2.649
72 HA LEU 10 HA LEU 10 18.891 4.846 5.257
73 HB2 LEU 10 HB2 LEU 10 18.346 2.690 4.623
74 HB3 LEU 10 HB1 LEU 10 19.672 2.618 3.481
75 HG LEU 10 HG LEU 10 21.226 2.212 5.421
76 HD11 LEU 10 HD11 LEU 10 19.270 3.139 7.059
77 HD12 LEU 10 HD12 LEU 10 20.465 1.969 7.605
78 HD13 LEU 10 HD13 LEU 10 18.864 1.422 7.120
79 HD21 LEU 10 HD21 LEU 10 18.935 0.318 4.842
80 HD22 LEU 10 HD22 LEU 10 20.357 -0.158 5.768
81 HD23 LEU 10 HD23 LEU 10 20.530 0.348 4.088
82 H ALA 11 HN ALA 11 21.718 5.355 3.752
83 HA ALA 11 HA ALA 11 23.784 4.654 5.413
84 HB1 ALA 11 HB1 ALA 11 25.038 6.486 4.519
85 HB2 ALA 11 HB2 ALA 11 23.569 7.381 4.135
86 HB3 ALA 11 HB3 ALA 11 23.969 5.918 3.237
87 H LEU 12 HN LEU 12 21.182 6.759 6.123
88 HA LEU 12 HA LEU 12 22.482 8.325 8.126
89 HB2 LEU 12 HB2 LEU 12 19.594 7.782 7.448
90 HB3 LEU 12 HB1 LEU 12 20.041 8.736 8.861
91 HG LEU 12 HG LEU 12 21.205 10.351 7.486
92 HD11 LEU 12 HD11 LEU 12 21.036 10.031 4.927
93 HD12 LEU 12 HD12 LEU 12 20.688 8.341 5.289
94 HD13 LEU 12 HD13 LEU 12 22.224 9.050 5.785
95 HD21 LEU 12 HD21 LEU 12 18.705 10.508 7.687
96 HD22 LEU 12 HD22 LEU 12 18.568 9.648 6.154
97 HD23 LEU 12 HD23 LEU 12 19.328 11.238 6.207
98 H ALA 13 HN ALA 13 19.962 5.804 8.480
99 HA ALA 13 HA ALA 13 20.382 5.426 11.225
100 HB1 ALA 13 HB1 ALA 13 19.542 3.191 9.381
101 HB2 ALA 13 HB2 ALA 13 18.456 4.524 9.772
102 HB3 ALA 13 HB3 ALA 13 19.064 3.474 11.055
103 H LEU 14 HN LEU 14 21.981 4.072 8.395
104 HA LEU 14 HA LEU 14 23.388 2.000 9.588
105 HB2 LEU 14 HB2 LEU 14 23.319 2.639 7.127
106 HB3 LEU 14 HB1 LEU 14 24.527 3.864 7.492
107 HG LEU 14 HG LEU 14 25.113 1.037 8.383
108 HD11 LEU 14 HD11 LEU 14 26.149 0.597 6.124
109 HD12 LEU 14 HD12 LEU 14 25.244 1.981 5.513
110 HD13 LEU 14 HD13 LEU 14 24.386 0.576 6.147
111 HD21 LEU 14 HD21 LEU 14 26.782 3.295 7.212
112 HD22 LEU 14 HD22 LEU 14 27.423 1.727 7.694
113 HD23 LEU 14 HD23 LEU 14 26.734 2.803 8.903
114 H ALA 15 HN ALA 15 24.267 5.431 9.339
115 HA ALA 15 HA ALA 15 26.713 5.255 10.705
116 HB1 ALA 15 HB1 ALA 15 26.381 7.662 11.197
117 HB2 ALA 15 HB2 ALA 15 24.711 7.528 10.646
118 HB3 ALA 15 HB3 ALA 15 26.038 7.281 9.511
119 H LEU 16 HN LEU 16 23.428 5.119 11.794
120 HA LEU 16 HA LEU 16 23.934 5.739 14.522
121 HB2 LEU 16 HB2 LEU 16 21.695 5.796 13.144
122 HB3 LEU 16 HB1 LEU 16 21.551 4.127 13.678
123 HG LEU 16 HG LEU 16 21.851 6.569 15.457
124 HD11 LEU 16 HD11 LEU 16 19.587 5.927 16.218
125 HD12 LEU 16 HD12 LEU 16 19.574 4.604 15.052
126 HD13 LEU 16 HD13 LEU 16 19.607 6.275 14.489
127 HD21 LEU 16 HD21 LEU 16 21.860 3.596 16.040
128 HD22 LEU 16 HD22 LEU 16 21.379 4.769 17.266
129 HD23 LEU 16 HD23 LEU 16 23.004 4.821 16.588
130 H TRP 17 HN TRP 17 22.828 2.572 13.182
131 HA TRP 17 HA TRP 17 23.788 1.255 15.545
132 HB2 TRP 17 HB2 TRP 17 23.175 -0.840 14.319
133 HB3 TRP 17 HB1 TRP 17 21.874 0.307 14.579
134 HD1 TRP 17 HD1 TRP 17 21.040 1.700 12.426
135 HE1 TRP 17 HE1 TRP 17 21.128 1.110 9.915
136 HE3 TRP 17 HE3 TRP 17 24.532 -2.028 12.505
137 HZ2 TRP 17 HZ2 TRP 17 22.489 -0.690 8.181
138 HZ3 TRP 17 HZ3 TRP 17 25.204 -3.163 10.407
139 HH2 TRP 17 HH2 TRP 17 24.189 -2.500 8.245
140 H TRP 18 HN TRP 18 24.991 1.434 12.214
141 HA TRP 18 HA TRP 18 26.999 -0.477 12.370
142 HB2 TRP 18 HB2 TRP 18 26.365 0.998 10.362
143 HB3 TRP 18 HB1 TRP 18 27.440 2.209 11.053
144 HD1 TRP 18 HD1 TRP 18 27.531 -1.469 9.887
145 HE1 TRP 18 HE1 TRP 18 29.914 -1.988 9.043
146 HE3 TRP 18 HE3 TRP 18 29.842 2.949 10.984
147 HZ2 TRP 18 HZ2 TRP 18 32.450 -0.708 8.858
148 HZ3 TRP 18 HZ3 TRP 18 32.244 3.272 10.464
149 HH2 TRP 18 HH2 TRP 18 33.551 1.451 9.402
150 H ALA 19 HN ALA 19 27.222 2.975 13.161
151 HA ALA 19 HA ALA 19 29.790 2.610 14.473
152 HB1 ALA 19 HB1 ALA 19 29.911 4.968 14.594
153 HB2 ALA 19 HB2 ALA 19 28.165 5.143 14.419
154 HB3 ALA 19 HB3 ALA 19 29.142 4.635 13.042
155 HA1 ETA 20 HA1 ETA 20 27.594 1.287 18.139
156 HA2 ETA 20 HA2 ETA 20 25.987 1.253 17.418
157 HN2 ETA 20 HN ETA 20 27.240 1.434 15.468
158 HB1 ETA 20 HB1 ETA 20 27.432 3.521 18.766
159 HB2 ETA 20 HB2 ETA 20 25.741 3.054 18.883
160 HO ETA 20 HG ETA 20 26.737 4.914 17.346
Start of MODEL 6
1 H1 ACE 0 HA2 ACE 0 20.897 -5.773 -9.061
2 H2 ACE 0 HA3 ACE 0 22.489 -5.937 -9.807
3 H3 ACE 0 HA1 ACE 0 21.079 -6.676 -10.565
4 H GLY 1 HN GLY 1 20.537 -3.589 -9.160
5 HA2 GLY 1 HA2 GLY 1 21.266 -1.973 -11.400
6 HA3 GLY 1 HA1 GLY 1 19.543 -2.344 -11.363
7 H TRP 2 HN TRP 2 18.641 -0.591 -10.734
8 HA TRP 2 HA TRP 2 19.711 1.205 -8.801
9 HB2 TRP 2 HB2 TRP 2 17.148 2.064 -8.971
10 HB3 TRP 2 HB1 TRP 2 18.348 2.457 -10.199
11 HD1 TRP 2 HD1 TRP 2 16.794 -0.897 -9.673
12 HE1 TRP 2 HE1 TRP 2 15.466 -1.599 -11.783
13 HE3 TRP 2 HE3 TRP 2 17.191 3.381 -12.354
14 HZ2 TRP 2 HZ2 TRP 2 14.684 -0.455 -14.281
15 HZ3 TRP 2 HZ3 TRP 2 16.152 3.573 -14.598
16 HH2 TRP 2 HH2 TRP 2 14.899 1.662 -15.565
17 H TRP 3 HN TRP 3 18.850 -1.764 -8.294
18 HA TRP 3 HA TRP 3 17.018 -1.481 -6.095
19 HB2 TRP 3 HB2 TRP 3 18.671 -3.941 -6.524
20 HB3 TRP 3 HB1 TRP 3 17.030 -3.811 -5.903
21 HD1 TRP 3 HD1 TRP 3 18.655 -5.107 -8.732
22 HE1 TRP 3 HE1 TRP 3 17.213 -5.046 -10.862
23 HE3 TRP 3 HE3 TRP 3 15.091 -1.758 -7.290
24 HZ2 TRP 3 HZ2 TRP 3 14.865 -3.757 -11.820
25 HZ3 TRP 3 HZ3 TRP 3 13.283 -1.130 -8.815
26 HH2 TRP 3 HH2 TRP 3 13.145 -2.119 -11.089
27 H LEU 4 HN LEU 4 20.366 -2.541 -6.390
28 HA LEU 4 HA LEU 4 20.990 -2.639 -3.695
29 HB2 LEU 4 HB2 LEU 4 22.971 -1.649 -5.752
30 HB3 LEU 4 HB1 LEU 4 23.267 -2.626 -4.316
31 HG LEU 4 HG LEU 4 21.497 -4.271 -5.724
32 HD11 LEU 4 HD11 LEU 4 23.189 -2.797 -7.753
33 HD12 LEU 4 HD12 LEU 4 21.447 -3.023 -7.731
34 HD13 LEU 4 HD13 LEU 4 22.494 -4.389 -8.045
35 HD21 LEU 4 HD21 LEU 4 23.537 -5.112 -4.715
36 HD22 LEU 4 HD22 LEU 4 24.531 -4.198 -5.850
37 HD23 LEU 4 HD23 LEU 4 23.554 -5.549 -6.425
38 H ALA 5 HN ALA 5 20.556 0.019 -5.849
39 HA ALA 5 HA ALA 5 21.884 2.121 -4.643
40 HB1 ALA 5 HB1 ALA 5 20.480 2.114 -6.779
41 HB2 ALA 5 HB2 ALA 5 20.363 3.555 -5.769
42 HB3 ALA 5 HB3 ALA 5 19.078 2.346 -5.733
43 H LEU 6 HN LEU 6 19.460 0.180 -3.289
44 HA LEU 6 HA LEU 6 18.348 2.177 -1.517
45 HB2 LEU 6 HB2 LEU 6 18.024 -0.825 -1.571
46 HB3 LEU 6 HB1 LEU 6 17.069 0.299 -0.607
47 HG LEU 6 HG LEU 6 17.234 0.618 -3.609
48 HD11 LEU 6 HD11 LEU 6 15.254 -1.107 -2.091
49 HD12 LEU 6 HD12 LEU 6 16.506 -1.699 -3.183
50 HD13 LEU 6 HD13 LEU 6 15.178 -0.724 -3.811
51 HD21 LEU 6 HD21 LEU 6 16.225 2.485 -2.425
52 HD22 LEU 6 HD22 LEU 6 15.210 1.401 -1.476
53 HD23 LEU 6 HD23 LEU 6 14.929 1.583 -3.203
54 H ALA 7 HN ALA 7 20.921 -0.171 -1.472
55 HA ALA 7 HA ALA 7 21.145 -0.518 1.312
56 HB1 ALA 7 HB1 ALA 7 23.780 -0.719 0.279
57 HB2 ALA 7 HB2 ALA 7 22.725 -1.177 -1.053
58 HB3 ALA 7 HB3 ALA 7 22.626 -2.045 0.470
59 HA PRO 8 HA PRO 8 24.582 3.166 0.949
60 HB2 PRO 8 HB2 PRO 8 22.662 4.560 -0.905
61 HB3 PRO 8 HB1 PRO 8 24.403 4.812 -0.701
62 HG2 PRO 8 HG2 PRO 8 23.555 3.369 -2.710
63 HG3 PRO 8 HG1 PRO 8 24.964 2.821 -1.770
64 HD2 PRO 8 HD2 PRO 8 22.193 1.718 -1.774
65 HD3 PRO 8 HD1 PRO 8 23.727 0.899 -1.414
66 H ALA 9 HN ALA 9 21.114 3.544 0.663
67 HA ALA 9 HA ALA 9 20.700 5.762 2.300
68 HB1 ALA 9 HB1 ALA 9 18.400 5.065 2.436
69 HB2 ALA 9 HB2 ALA 9 18.830 3.412 1.996
70 HB3 ALA 9 HB3 ALA 9 18.996 4.711 0.815
71 H LEU 10 HN LEU 10 22.031 2.824 3.282
72 HA LEU 10 HA LEU 10 20.773 2.675 5.846
73 HB2 LEU 10 HB2 LEU 10 21.956 0.706 6.168
74 HB3 LEU 10 HB1 LEU 10 21.939 0.783 4.418
75 HG LEU 10 HG LEU 10 24.223 1.742 6.167
76 HD11 LEU 10 HD11 LEU 10 23.865 -0.709 6.244
77 HD12 LEU 10 HD12 LEU 10 25.388 -0.263 5.473
78 HD13 LEU 10 HD13 LEU 10 24.011 -0.754 4.487
79 HD21 LEU 10 HD21 LEU 10 25.449 2.091 4.169
80 HD22 LEU 10 HD22 LEU 10 23.866 2.762 3.810
81 HD23 LEU 10 HD23 LEU 10 24.302 1.170 3.199
82 H ALA 11 HN ALA 11 22.965 4.579 4.475
83 HA ALA 11 HA ALA 11 24.967 5.136 6.271
84 HB1 ALA 11 HB1 ALA 11 24.957 7.439 5.425
85 HB2 ALA 11 HB2 ALA 11 23.351 7.188 4.739
86 HB3 ALA 11 HB3 ALA 11 24.731 6.290 4.106
87 H LEU 12 HN LEU 12 21.562 5.923 6.511
88 HA LEU 12 HA LEU 12 21.820 7.714 8.713
89 HB2 LEU 12 HB2 LEU 12 19.821 7.836 7.377
90 HB3 LEU 12 HB1 LEU 12 19.482 6.127 7.634
91 HG LEU 12 HG LEU 12 19.004 6.495 9.973
92 HD11 LEU 12 HD11 LEU 12 20.123 9.249 9.423
93 HD12 LEU 12 HD12 LEU 12 20.601 8.101 10.673
94 HD13 LEU 12 HD13 LEU 12 19.064 8.952 10.801
95 HD21 LEU 12 HD21 LEU 12 17.742 8.768 8.407
96 HD22 LEU 12 HD22 LEU 12 17.053 7.920 9.791
97 HD23 LEU 12 HD23 LEU 12 17.249 7.083 8.252
98 H ALA 13 HN ALA 13 20.722 4.323 8.477
99 HA ALA 13 HA ALA 13 20.548 3.856 11.239
100 HB1 ALA 13 HB1 ALA 13 19.562 2.243 9.781
101 HB2 ALA 13 HB2 ALA 13 20.905 1.425 10.583
102 HB3 ALA 13 HB3 ALA 13 21.083 1.992 8.922
103 H LEU 14 HN LEU 14 23.247 3.682 8.977
104 HA LEU 14 HA LEU 14 25.112 2.391 10.571
105 HB2 LEU 14 HB2 LEU 14 25.362 3.127 8.154
106 HB3 LEU 14 HB1 LEU 14 25.727 4.738 8.759
107 HG LEU 14 HG LEU 14 27.326 2.439 9.895
108 HD11 LEU 14 HD11 LEU 14 28.943 2.594 8.022
109 HD12 LEU 14 HD12 LEU 14 27.801 3.611 7.143
110 HD13 LEU 14 HD13 LEU 14 27.388 1.937 7.511
111 HD21 LEU 14 HD21 LEU 14 27.980 5.296 9.080
112 HD22 LEU 14 HD22 LEU 14 29.136 4.168 9.784
113 HD23 LEU 14 HD23 LEU 14 27.752 4.709 10.725
114 H ALA 15 HN ALA 15 24.367 5.859 10.410
115 HA ALA 15 HA ALA 15 26.186 6.694 12.372
116 HB1 ALA 15 HB1 ALA 15 24.884 8.225 10.897
117 HB2 ALA 15 HB2 ALA 15 24.784 8.671 12.600
118 HB3 ALA 15 HB3 ALA 15 23.435 7.840 11.827
119 H LEU 16 HN LEU 16 23.170 4.999 12.586
120 HA LEU 16 HA LEU 16 22.637 5.559 15.319
121 HB2 LEU 16 HB2 LEU 16 21.055 4.677 13.409
122 HB3 LEU 16 HB1 LEU 16 21.578 3.097 13.974
123 HG LEU 16 HG LEU 16 20.242 5.258 15.635
124 HD11 LEU 16 HD11 LEU 16 18.773 3.950 14.096
125 HD12 LEU 16 HD12 LEU 16 18.409 3.653 15.796
126 HD13 LEU 16 HD13 LEU 16 19.329 2.467 14.870
127 HD21 LEU 16 HD21 LEU 16 21.502 2.602 16.369
128 HD22 LEU 16 HD22 LEU 16 20.243 3.330 17.367
129 HD23 LEU 16 HD23 LEU 16 21.765 4.179 17.114
130 H TRP 17 HN TRP 17 23.507 2.355 13.893
131 HA TRP 17 HA TRP 17 24.360 1.450 16.479
132 HB2 TRP 17 HB2 TRP 17 25.116 -0.587 15.229
133 HB3 TRP 17 HB1 TRP 17 23.410 -0.199 15.113
134 HD1 TRP 17 HD1 TRP 17 22.564 0.845 12.768
135 HE1 TRP 17 HE1 TRP 17 23.503 0.558 10.383
136 HE3 TRP 17 HE3 TRP 17 27.243 -0.897 13.852
137 HZ2 TRP 17 HZ2 TRP 17 25.903 -0.291 9.108
138 HZ3 TRP 17 HZ3 TRP 17 28.834 -1.437 12.031
139 HH2 TRP 17 HH2 TRP 17 28.171 -1.137 9.660
140 H TRP 18 HN TRP 18 26.104 2.427 13.552
141 HA TRP 18 HA TRP 18 28.670 1.658 14.285
142 HB2 TRP 18 HB2 TRP 18 27.926 2.824 12.124
143 HB3 TRP 18 HB1 TRP 18 28.092 4.337 13.010
144 HD1 TRP 18 HD1 TRP 18 30.185 1.265 11.998
145 HE1 TRP 18 HE1 TRP 18 32.657 1.989 11.832
146 HE3 TRP 18 HE3 TRP 18 29.806 6.093 13.615
147 HZ2 TRP 18 HZ2 TRP 18 34.253 4.296 12.319
148 HZ3 TRP 18 HZ3 TRP 18 31.819 7.532 13.755
149 HH2 TRP 18 HH2 TRP 18 34.042 6.641 13.110
150 H ALA 19 HN ALA 19 27.052 4.739 14.955
151 HA ALA 19 HA ALA 19 29.053 5.434 16.977
152 HB1 ALA 19 HB1 ALA 19 28.186 7.077 15.211
153 HB2 ALA 19 HB2 ALA 19 28.198 7.638 16.883
154 HB3 ALA 19 HB3 ALA 19 26.689 7.104 16.143
155 HA1 ETA 20 HA1 ETA 20 24.922 3.686 18.866
156 HA2 ETA 20 HA2 ETA 20 26.236 3.988 20.002
157 HN2 ETA 20 HN ETA 20 27.134 3.259 17.348
158 HB1 ETA 20 HB1 ETA 20 25.620 1.436 18.494
159 HB2 ETA 20 HB2 ETA 20 25.636 1.676 20.236
160 HO ETA 20 HG ETA 20 27.661 1.243 20.227
Start of MODEL 7
1 H1 ACE 0 HA2 ACE 0 22.940 -5.946 -6.961
2 H2 ACE 0 HA3 ACE 0 24.538 -5.795 -7.692
3 H3 ACE 0 HA1 ACE 0 23.426 -7.040 -8.254
4 H GLY 1 HN GLY 1 21.974 -4.024 -7.493
5 HA2 GLY 1 HA2 GLY 1 22.302 -2.749 -10.030
6 HA3 GLY 1 HA1 GLY 1 20.755 -3.581 -9.881
7 H TRP 2 HN TRP 2 19.371 -2.067 -9.603
8 HA TRP 2 HA TRP 2 19.813 0.309 -8.098
9 HB2 TRP 2 HB2 TRP 2 17.121 0.350 -8.386
10 HB3 TRP 2 HB1 TRP 2 18.207 0.813 -9.692
11 HD1 TRP 2 HD1 TRP 2 17.647 -2.668 -8.467
12 HE1 TRP 2 HE1 TRP 2 16.653 -4.126 -10.363
13 HE3 TRP 2 HE3 TRP 2 16.914 0.921 -11.963
14 HZ2 TRP 2 HZ2 TRP 2 15.670 -3.774 -13.021
15 HZ3 TRP 2 HZ3 TRP 2 15.946 0.357 -14.177
16 HH2 TRP 2 HH2 TRP 2 15.324 -1.984 -14.711
17 H TRP 3 HN TRP 3 19.808 -2.618 -6.982
18 HA TRP 3 HA TRP 3 17.887 -2.434 -4.848
19 HB2 TRP 3 HB2 TRP 3 20.184 -4.357 -4.803
20 HB3 TRP 3 HB1 TRP 3 18.550 -4.577 -4.188
21 HD1 TRP 3 HD1 TRP 3 20.582 -5.896 -6.728
22 HE1 TRP 3 HE1 TRP 3 19.265 -6.676 -8.795
23 HE3 TRP 3 HE3 TRP 3 16.166 -3.482 -5.924
24 HZ2 TRP 3 HZ2 TRP 3 16.689 -6.327 -9.948
25 HZ3 TRP 3 HZ3 TRP 3 14.313 -3.712 -7.507
26 HH2 TRP 3 HH2 TRP 3 14.550 -5.134 -9.530
27 H LEU 4 HN LEU 4 21.408 -2.533 -4.992
28 HA LEU 4 HA LEU 4 21.931 -1.907 -2.347
29 HB2 LEU 4 HB2 LEU 4 23.623 -0.826 -4.604
30 HB3 LEU 4 HB1 LEU 4 24.133 -1.368 -3.007
31 HG LEU 4 HG LEU 4 22.957 -3.698 -4.011
32 HD11 LEU 4 HD11 LEU 4 24.040 -3.990 -6.281
33 HD12 LEU 4 HD12 LEU 4 24.236 -2.242 -6.335
34 HD13 LEU 4 HD13 LEU 4 22.630 -2.949 -6.230
35 HD21 LEU 4 HD21 LEU 4 25.111 -3.700 -2.896
36 HD22 LEU 4 HD22 LEU 4 25.849 -2.789 -4.214
37 HD23 LEU 4 HD23 LEU 4 25.317 -4.450 -4.480
38 H ALA 5 HN ALA 5 20.845 0.029 -4.985
39 HA ALA 5 HA ALA 5 21.473 2.619 -4.254
40 HB1 ALA 5 HB1 ALA 5 19.657 3.306 -5.621
41 HB2 ALA 5 HB2 ALA 5 18.765 1.814 -5.317
42 HB3 ALA 5 HB3 ALA 5 20.216 1.786 -6.320
43 H LEU 6 HN LEU 6 19.692 0.376 -2.471
44 HA LEU 6 HA LEU 6 17.989 2.288 -1.103
45 HB2 LEU 6 HB2 LEU 6 18.470 -0.650 -0.600
46 HB3 LEU 6 HB1 LEU 6 17.211 0.334 0.141
47 HG LEU 6 HG LEU 6 17.422 0.119 -2.867
48 HD11 LEU 6 HD11 LEU 6 15.786 -1.723 -2.787
49 HD12 LEU 6 HD12 LEU 6 15.890 -1.742 -1.027
50 HD13 LEU 6 HD13 LEU 6 17.295 -2.183 -1.998
51 HD21 LEU 6 HD21 LEU 6 14.930 0.507 -2.640
52 HD22 LEU 6 HD22 LEU 6 15.915 1.849 -2.069
53 HD23 LEU 6 HD23 LEU 6 15.175 0.742 -0.912
54 H ALA 7 HN ALA 7 21.078 0.730 -0.662
55 HA ALA 7 HA ALA 7 21.291 0.948 2.131
56 HB1 ALA 7 HB1 ALA 7 23.174 -0.226 1.577
57 HB2 ALA 7 HB2 ALA 7 23.918 1.293 1.080
58 HB3 ALA 7 HB3 ALA 7 23.050 0.310 -0.096
59 HA PRO 8 HA PRO 8 23.597 5.294 1.125
60 HB2 PRO 8 HB2 PRO 8 21.527 5.867 -0.984
61 HB3 PRO 8 HB1 PRO 8 23.168 6.523 -0.814
62 HG2 PRO 8 HG2 PRO 8 22.719 4.600 -2.545
63 HG3 PRO 8 HG1 PRO 8 24.182 4.558 -1.534
64 HD2 PRO 8 HD2 PRO 8 21.721 2.882 -1.316
65 HD3 PRO 8 HD1 PRO 8 23.394 2.488 -0.867
66 H ALA 9 HN ALA 9 20.116 4.998 0.478
67 HA ALA 9 HA ALA 9 19.302 7.213 2.027
68 HB1 ALA 9 HB1 ALA 9 17.820 4.760 1.086
69 HB2 ALA 9 HB2 ALA 9 17.799 6.375 0.377
70 HB3 ALA 9 HB3 ALA 9 17.039 6.088 1.943
71 H LEU 10 HN LEU 10 20.154 3.961 2.913
72 HA LEU 10 HA LEU 10 18.919 4.136 5.525
73 HB2 LEU 10 HB2 LEU 10 18.677 1.926 4.897
74 HB3 LEU 10 HB1 LEU 10 19.986 2.043 3.740
75 HG LEU 10 HG LEU 10 21.604 1.856 5.667
76 HD11 LEU 10 HD11 LEU 10 19.540 2.478 7.322
77 HD12 LEU 10 HD12 LEU 10 20.904 1.503 7.854
78 HD13 LEU 10 HD13 LEU 10 19.400 0.719 7.380
79 HD21 LEU 10 HD21 LEU 10 19.601 -0.355 5.130
80 HD22 LEU 10 HD22 LEU 10 21.125 -0.609 5.979
81 HD23 LEU 10 HD23 LEU 10 21.132 -0.071 4.300
82 H ALA 11 HN ALA 11 21.656 5.043 4.025
83 HA ALA 11 HA ALA 11 23.786 4.620 5.704
84 HB1 ALA 11 HB1 ALA 11 23.170 7.264 4.367
85 HB2 ALA 11 HB2 ALA 11 23.911 5.879 3.560
86 HB3 ALA 11 HB3 ALA 11 24.755 6.686 4.882
87 H LEU 12 HN LEU 12 20.915 6.345 6.398
88 HA LEU 12 HA LEU 12 21.966 8.070 8.409
89 HB2 LEU 12 HB2 LEU 12 19.858 8.663 7.426
90 HB3 LEU 12 HB1 LEU 12 19.169 7.088 7.811
91 HG LEU 12 HG LEU 12 19.172 7.572 10.170
92 HD11 LEU 12 HD11 LEU 12 20.843 9.954 9.351
93 HD12 LEU 12 HD12 LEU 12 21.223 8.707 10.538
94 HD13 LEU 12 HD13 LEU 12 19.992 9.916 10.895
95 HD21 LEU 12 HD21 LEU 12 17.326 8.560 8.839
96 HD22 LEU 12 HD22 LEU 12 18.273 10.034 8.632
97 HD23 LEU 12 HD23 LEU 12 17.715 9.562 10.238
98 H ALA 13 HN ALA 13 19.843 5.204 8.747
99 HA ALA 13 HA ALA 13 20.296 4.884 11.495
100 HB1 ALA 13 HB1 ALA 13 18.535 3.712 10.024
101 HB2 ALA 13 HB2 ALA 13 19.279 2.762 11.311
102 HB3 ALA 13 HB3 ALA 13 19.809 2.552 9.644
103 H LEU 14 HN LEU 14 22.086 3.761 8.673
104 HA LEU 14 HA LEU 14 23.778 1.933 9.895
105 HB2 LEU 14 HB2 LEU 14 23.620 2.517 7.425
106 HB3 LEU 14 HB1 LEU 14 24.638 3.909 7.769
107 HG LEU 14 HG LEU 14 25.620 1.206 8.701
108 HD11 LEU 14 HD11 LEU 14 26.608 0.703 6.531
109 HD12 LEU 14 HD12 LEU 14 25.858 2.136 5.829
110 HD13 LEU 14 HD13 LEU 14 24.852 0.797 6.380
111 HD21 LEU 14 HD21 LEU 14 26.974 3.188 9.202
112 HD22 LEU 14 HD22 LEU 14 26.953 3.668 7.508
113 HD23 LEU 14 HD23 LEU 14 27.810 2.210 8.000
114 H ALA 15 HN ALA 15 24.135 5.452 9.604
115 HA ALA 15 HA ALA 15 26.583 5.656 10.963
116 HB1 ALA 15 HB1 ALA 15 26.004 7.989 11.320
117 HB2 ALA 15 HB2 ALA 15 24.303 7.650 11.004
118 HB3 ALA 15 HB3 ALA 15 25.485 7.514 9.703
119 H LEU 16 HN LEU 16 23.352 5.062 12.061
120 HA LEU 16 HA LEU 16 23.776 5.783 14.781
121 HB2 LEU 16 HB2 LEU 16 21.537 5.539 13.437
122 HB3 LEU 16 HB1 LEU 16 21.638 3.857 13.943
123 HG LEU 16 HG LEU 16 22.066 4.922 16.351
124 HD11 LEU 16 HD11 LEU 16 21.030 7.039 16.726
125 HD12 LEU 16 HD12 LEU 16 20.334 7.071 15.107
126 HD13 LEU 16 HD13 LEU 16 22.070 7.273 15.322
127 HD21 LEU 16 HD21 LEU 16 20.151 3.513 15.938
128 HD22 LEU 16 HD22 LEU 16 19.380 4.751 14.947
129 HD23 LEU 16 HD23 LEU 16 19.543 4.991 16.686
130 H TRP 17 HN TRP 17 23.124 2.482 13.472
131 HA TRP 17 HA TRP 17 24.240 1.334 15.853
132 HB2 TRP 17 HB2 TRP 17 23.926 -0.833 14.678
133 HB3 TRP 17 HB1 TRP 17 22.474 0.131 14.866
134 HD1 TRP 17 HD1 TRP 17 21.444 1.223 12.660
135 HE1 TRP 17 HE1 TRP 17 21.723 0.615 10.168
136 HE3 TRP 17 HE3 TRP 17 25.602 -1.733 12.921
137 HZ2 TRP 17 HZ2 TRP 17 23.464 -0.912 8.514
138 HZ3 TRP 17 HZ3 TRP 17 26.548 -2.753 10.870
139 HH2 TRP 17 HH2 TRP 17 25.486 -2.346 8.666
140 H TRP 18 HN TRP 18 25.425 1.626 12.521
141 HA TRP 18 HA TRP 18 27.683 0.020 12.718
142 HB2 TRP 18 HB2 TRP 18 26.855 1.365 10.684
143 HB3 TRP 18 HB1 TRP 18 27.756 2.720 11.357
144 HD1 TRP 18 HD1 TRP 18 28.317 -0.902 10.177
145 HE1 TRP 18 HE1 TRP 18 30.758 -1.123 9.367
146 HE3 TRP 18 HE3 TRP 18 30.071 3.739 11.379
147 HZ2 TRP 18 HZ2 TRP 18 33.127 0.451 9.247
148 HZ3 TRP 18 HZ3 TRP 18 32.426 4.352 10.906
149 HH2 TRP 18 HH2 TRP 18 33.956 2.716 9.843
150 H ALA 19 HN ALA 19 27.406 3.478 13.447
151 HA ALA 19 HA ALA 19 29.961 3.462 14.874
152 HB1 ALA 19 HB1 ALA 19 29.259 5.293 13.225
153 HB2 ALA 19 HB2 ALA 19 29.874 5.824 14.790
154 HB3 ALA 19 HB3 ALA 19 28.138 5.827 14.477
155 HA1 ETA 20 HA1 ETA 20 26.103 3.236 17.834
156 HA2 ETA 20 HA2 ETA 20 27.686 3.053 18.593
157 HN2 ETA 20 HN ETA 20 27.583 2.071 15.873
158 HB1 ETA 20 HB1 ETA 20 25.824 0.911 17.558
159 HB2 ETA 20 HB2 ETA 20 26.501 1.080 19.172
160 HO ETA 20 HG ETA 20 28.199 0.763 16.962
Start of MODEL 8
1 H1 ACE 0 HA2 ACE 0 23.224 -5.517 -7.548
2 H2 ACE 0 HA3 ACE 0 24.740 -5.151 -8.376
3 H3 ACE 0 HA1 ACE 0 23.719 -6.471 -8.946
4 H GLY 1 HN GLY 1 22.030 -3.681 -7.876
5 HA2 GLY 1 HA2 GLY 1 22.031 -2.221 -10.332
6 HA3 GLY 1 HA1 GLY 1 20.593 -3.220 -10.136
7 H TRP 2 HN TRP 2 19.086 -1.885 -9.656
8 HA TRP 2 HA TRP 2 19.398 0.425 -8.020
9 HB2 TRP 2 HB2 TRP 2 16.702 0.197 -8.117
10 HB3 TRP 2 HB1 TRP 2 17.633 0.857 -9.459
11 HD1 TRP 2 HD1 TRP 2 17.521 -2.736 -8.447
12 HE1 TRP 2 HE1 TRP 2 16.541 -4.168 -10.371
13 HE3 TRP 2 HE3 TRP 2 16.176 0.970 -11.627
14 HZ2 TRP 2 HZ2 TRP 2 15.336 -3.754 -12.927
15 HZ3 TRP 2 HZ3 TRP 2 15.110 0.448 -13.804
16 HH2 TRP 2 HH2 TRP 2 14.688 -1.907 -14.460
17 H TRP 3 HN TRP 3 19.780 -2.548 -7.115
18 HA TRP 3 HA TRP 3 18.017 -2.706 -4.846
19 HB2 TRP 3 HB2 TRP 3 20.494 -4.373 -5.099
20 HB3 TRP 3 HB1 TRP 3 18.943 -4.804 -4.388
21 HD1 TRP 3 HD1 TRP 3 20.896 -5.734 -7.152
22 HE1 TRP 3 HE1 TRP 3 19.508 -6.517 -9.172
23 HE3 TRP 3 HE3 TRP 3 16.333 -3.861 -5.868
24 HZ2 TRP 3 HZ2 TRP 3 16.827 -6.372 -10.113
25 HZ3 TRP 3 HZ3 TRP 3 14.396 -4.185 -7.329
26 HH2 TRP 3 HH2 TRP 3 14.617 -5.442 -9.459
27 H LEU 4 HN LEU 4 21.508 -2.416 -5.244
28 HA LEU 4 HA LEU 4 22.168 -1.911 -2.604
29 HB2 LEU 4 HB2 LEU 4 23.561 -0.511 -4.890
30 HB3 LEU 4 HB1 LEU 4 24.245 -1.094 -3.375
31 HG LEU 4 HG LEU 4 23.244 -3.470 -4.458
32 HD11 LEU 4 HD11 LEU 4 24.178 -1.738 -6.757
33 HD12 LEU 4 HD12 LEU 4 22.669 -2.623 -6.589
34 HD13 LEU 4 HD13 LEU 4 24.166 -3.499 -6.815
35 HD21 LEU 4 HD21 LEU 4 25.468 -3.308 -3.503
36 HD22 LEU 4 HD22 LEU 4 26.000 -2.240 -4.801
37 HD23 LEU 4 HD23 LEU 4 25.625 -3.928 -5.147
38 H ALA 5 HN ALA 5 20.686 0.061 -5.012
39 HA ALA 5 HA ALA 5 21.098 2.654 -4.146
40 HB1 ALA 5 HB1 ALA 5 18.414 1.628 -5.072
41 HB2 ALA 5 HB2 ALA 5 19.779 1.820 -6.172
42 HB3 ALA 5 HB3 ALA 5 19.123 3.223 -5.331
43 H LEU 6 HN LEU 6 19.716 0.131 -2.389
44 HA LEU 6 HA LEU 6 17.920 1.755 -0.789
45 HB2 LEU 6 HB2 LEU 6 18.777 -1.126 -0.504
46 HB3 LEU 6 HB1 LEU 6 17.481 -0.342 0.394
47 HG LEU 6 HG LEU 6 17.455 -0.359 -2.630
48 HD11 LEU 6 HD11 LEU 6 16.101 -2.399 -2.577
49 HD12 LEU 6 HD12 LEU 6 16.284 -2.497 -0.826
50 HD13 LEU 6 HD13 LEU 6 17.688 -2.709 -1.871
51 HD21 LEU 6 HD21 LEU 6 14.965 -0.299 -2.185
52 HD22 LEU 6 HD22 LEU 6 15.826 1.116 -1.589
53 HD23 LEU 6 HD23 LEU 6 15.325 -0.147 -0.467
54 H ALA 7 HN ALA 7 21.193 0.559 -0.669
55 HA ALA 7 HA ALA 7 21.599 0.679 2.114
56 HB1 ALA 7 HB1 ALA 7 23.539 -0.272 1.360
57 HB2 ALA 7 HB2 ALA 7 24.086 1.336 0.889
58 HB3 ALA 7 HB3 ALA 7 23.232 0.320 -0.270
59 HA PRO 8 HA PRO 8 23.364 5.279 1.144
60 HB2 PRO 8 HB2 PRO 8 21.083 5.710 -0.774
61 HB3 PRO 8 HB1 PRO 8 22.655 6.531 -0.696
62 HG2 PRO 8 HG2 PRO 8 22.271 4.641 -2.479
63 HG3 PRO 8 HG1 PRO 8 23.808 4.720 -1.586
64 HD2 PRO 8 HD2 PRO 8 21.567 2.774 -1.262
65 HD3 PRO 8 HD1 PRO 8 23.302 2.553 -0.956
66 H ALA 9 HN ALA 9 19.894 4.630 0.745
67 HA ALA 9 HA ALA 9 18.954 6.677 2.431
68 HB1 ALA 9 HB1 ALA 9 17.659 4.038 1.724
69 HB2 ALA 9 HB2 ALA 9 17.502 5.548 0.826
70 HB3 ALA 9 HB3 ALA 9 16.835 5.416 2.453
71 H LEU 10 HN LEU 10 20.325 3.575 3.154
72 HA LEU 10 HA LEU 10 19.319 3.529 5.868
73 HB2 LEU 10 HB2 LEU 10 19.358 1.308 5.247
74 HB3 LEU 10 HB1 LEU 10 20.469 1.633 3.936
75 HG LEU 10 HG LEU 10 22.329 1.692 5.697
76 HD11 LEU 10 HD11 LEU 10 20.446 0.131 7.470
77 HD12 LEU 10 HD12 LEU 10 20.450 1.883 7.578
78 HD13 LEU 10 HD13 LEU 10 21.929 0.985 7.891
79 HD21 LEU 10 HD21 LEU 10 20.705 -0.817 5.194
80 HD22 LEU 10 HD22 LEU 10 22.330 -0.827 5.878
81 HD23 LEU 10 HD23 LEU 10 22.066 -0.219 4.245
82 H ALA 11 HN ALA 11 21.760 4.834 4.153
83 HA ALA 11 HA ALA 11 24.041 4.699 5.697
84 HB1 ALA 11 HB1 ALA 11 23.848 5.889 3.503
85 HB2 ALA 11 HB2 ALA 11 24.729 6.795 4.732
86 HB3 ALA 11 HB3 ALA 11 23.061 7.221 4.352
87 H LEU 12 HN LEU 12 21.098 6.486 6.322
88 HA LEU 12 HA LEU 12 22.174 8.148 8.362
89 HB2 LEU 12 HB2 LEU 12 19.916 8.341 7.039
90 HB3 LEU 12 HB1 LEU 12 19.282 7.298 8.307
91 HG LEU 12 HG LEU 12 20.710 9.934 8.783
92 HD11 LEU 12 HD11 LEU 12 18.528 10.259 7.702
93 HD12 LEU 12 HD12 LEU 12 18.457 10.768 9.389
94 HD13 LEU 12 HD13 LEU 12 17.763 9.222 8.905
95 HD21 LEU 12 HD21 LEU 12 19.555 9.550 11.098
96 HD22 LEU 12 HD22 LEU 12 21.008 8.624 10.738
97 HD23 LEU 12 HD23 LEU 12 19.423 7.865 10.586
98 H ALA 13 HN ALA 13 19.983 5.329 8.641
99 HA ALA 13 HA ALA 13 20.360 5.021 11.409
100 HB1 ALA 13 HB1 ALA 13 19.429 3.167 9.234
101 HB2 ALA 13 HB2 ALA 13 18.508 3.860 10.562
102 HB3 ALA 13 HB3 ALA 13 19.660 2.561 10.874
103 H LEU 14 HN LEU 14 22.190 3.842 8.628
104 HA LEU 14 HA LEU 14 23.774 1.952 9.921
105 HB2 LEU 14 HB2 LEU 14 23.693 2.481 7.439
106 HB3 LEU 14 HB1 LEU 14 24.737 3.856 7.772
107 HG LEU 14 HG LEU 14 25.639 1.160 8.794
108 HD11 LEU 14 HD11 LEU 14 24.929 0.649 6.499
109 HD12 LEU 14 HD12 LEU 14 26.687 0.617 6.635
110 HD13 LEU 14 HD13 LEU 14 25.885 2.002 5.894
111 HD21 LEU 14 HD21 LEU 14 27.048 3.552 7.549
112 HD22 LEU 14 HD22 LEU 14 27.863 2.094 8.106
113 HD23 LEU 14 HD23 LEU 14 27.028 3.127 9.259
114 H ALA 15 HN ALA 15 24.261 5.452 9.560
115 HA ALA 15 HA ALA 15 26.683 5.605 10.969
116 HB1 ALA 15 HB1 ALA 15 25.664 7.468 9.644
117 HB2 ALA 15 HB2 ALA 15 26.182 7.962 11.256
118 HB3 ALA 15 HB3 ALA 15 24.473 7.675 10.929
119 H LEU 16 HN LEU 16 23.413 5.145 12.007
120 HA LEU 16 HA LEU 16 23.784 5.919 14.716
121 HB2 LEU 16 HB2 LEU 16 21.587 5.662 13.304
122 HB3 LEU 16 HB1 LEU 16 21.631 4.004 13.886
123 HG LEU 16 HG LEU 16 21.606 6.511 15.597
124 HD11 LEU 16 HD11 LEU 16 19.570 4.312 15.124
125 HD12 LEU 16 HD12 LEU 16 19.427 6.000 14.634
126 HD13 LEU 16 HD13 LEU 16 19.412 5.574 16.345
127 HD21 LEU 16 HD21 LEU 16 22.911 4.938 16.812
128 HD22 LEU 16 HD22 LEU 16 21.937 3.574 16.262
129 HD23 LEU 16 HD23 LEU 16 21.282 4.707 17.444
130 H TRP 17 HN TRP 17 23.105 2.597 13.470
131 HA TRP 17 HA TRP 17 24.150 1.483 15.898
132 HB2 TRP 17 HB2 TRP 17 23.814 -0.697 14.794
133 HB3 TRP 17 HB1 TRP 17 22.375 0.302 14.869
134 HD1 TRP 17 HD1 TRP 17 21.378 1.164 12.589
135 HE1 TRP 17 HE1 TRP 17 21.814 0.497 10.135
136 HE3 TRP 17 HE3 TRP 17 25.704 -1.496 13.142
137 HZ2 TRP 17 HZ2 TRP 17 23.730 -0.960 8.615
138 HZ3 TRP 17 HZ3 TRP 17 26.814 -2.513 11.172
139 HH2 TRP 17 HH2 TRP 17 25.833 -2.249 8.909
140 H TRP 18 HN TRP 18 25.407 1.680 12.586
141 HA TRP 18 HA TRP 18 27.635 0.047 12.863
142 HB2 TRP 18 HB2 TRP 18 26.870 1.345 10.780
143 HB3 TRP 18 HB1 TRP 18 27.759 2.713 11.443
144 HD1 TRP 18 HD1 TRP 18 28.331 -0.928 10.336
145 HE1 TRP 18 HE1 TRP 18 30.794 -1.176 9.602
146 HE3 TRP 18 HE3 TRP 18 30.084 3.715 11.533
147 HZ2 TRP 18 HZ2 TRP 18 33.176 0.379 9.532
148 HZ3 TRP 18 HZ3 TRP 18 32.456 4.305 11.122
149 HH2 TRP 18 HH2 TRP 18 34.004 2.646 10.123
150 H ALA 19 HN ALA 19 27.399 3.524 13.500
151 HA ALA 19 HA ALA 19 29.905 3.479 15.026
152 HB1 ALA 19 HB1 ALA 19 29.946 5.834 14.796
153 HB2 ALA 19 HB2 ALA 19 28.233 5.901 14.383
154 HB3 ALA 19 HB3 ALA 19 29.393 5.235 13.233
155 HA1 ETA 20 HA1 ETA 20 26.087 2.210 17.877
156 HA2 ETA 20 HA2 ETA 20 26.293 3.956 18.005
157 HN2 ETA 20 HN ETA 20 27.450 2.252 16.003
158 HB1 ETA 20 HB1 ETA 20 28.641 3.452 18.896
159 HB2 ETA 20 HB2 ETA 20 28.114 1.781 19.048
160 HO ETA 20 HG ETA 20 26.307 2.592 20.283
Start of MODEL 9
1 H1 ACE 0 HA2 ACE 0 22.799 -6.104 -6.676
2 H2 ACE 0 HA3 ACE 0 24.414 -6.040 -7.384
3 H3 ACE 0 HA1 ACE 0 23.263 -7.261 -7.924
4 H GLY 1 HN GLY 1 21.906 -4.174 -7.291
5 HA2 GLY 1 HA2 GLY 1 22.328 -2.995 -9.860
6 HA3 GLY 1 HA1 GLY 1 20.750 -3.766 -9.716
7 H TRP 2 HN TRP 2 19.413 -2.199 -9.510
8 HA TRP 2 HA TRP 2 19.912 0.209 -8.077
9 HB2 TRP 2 HB2 TRP 2 17.227 0.331 -8.412
10 HB3 TRP 2 HB1 TRP 2 18.350 0.714 -9.714
11 HD1 TRP 2 HD1 TRP 2 17.650 -2.703 -8.383
12 HE1 TRP 2 HE1 TRP 2 16.639 -4.189 -10.248
13 HE3 TRP 2 HE3 TRP 2 17.105 0.788 -12.012
14 HZ2 TRP 2 HZ2 TRP 2 15.718 -3.895 -12.936
15 HZ3 TRP 2 HZ3 TRP 2 16.160 0.183 -14.224
16 HH2 TRP 2 HH2 TRP 2 15.466 -2.154 -14.691
17 H TRP 3 HN TRP 3 19.789 -2.676 -6.865
18 HA TRP 3 HA TRP 3 17.843 -2.356 -4.771
19 HB2 TRP 3 HB2 TRP 3 20.071 -4.352 -4.624
20 HB3 TRP 3 HB1 TRP 3 18.421 -4.496 -4.030
21 HD1 TRP 3 HD1 TRP 3 20.448 -5.966 -6.492
22 HE1 TRP 3 HE1 TRP 3 19.136 -6.770 -8.554
23 HE3 TRP 3 HE3 TRP 3 16.102 -3.380 -5.838
24 HZ2 TRP 3 HZ2 TRP 3 16.591 -6.373 -9.760
25 HZ3 TRP 3 HZ3 TRP 3 14.269 -3.601 -7.444
26 HH2 TRP 3 HH2 TRP 3 14.486 -5.096 -9.415
27 H LEU 4 HN LEU 4 21.359 -2.574 -4.858
28 HA LEU 4 HA LEU 4 21.867 -1.880 -2.226
29 HB2 LEU 4 HB2 LEU 4 23.623 -0.932 -4.494
30 HB3 LEU 4 HB1 LEU 4 24.095 -1.431 -2.872
31 HG LEU 4 HG LEU 4 22.859 -3.758 -3.810
32 HD11 LEU 4 HD11 LEU 4 22.585 -3.080 -6.058
33 HD12 LEU 4 HD12 LEU 4 23.960 -4.165 -6.053
34 HD13 LEU 4 HD13 LEU 4 24.213 -2.425 -6.165
35 HD21 LEU 4 HD21 LEU 4 25.779 -2.946 -4.004
36 HD22 LEU 4 HD22 LEU 4 25.201 -4.598 -4.219
37 HD23 LEU 4 HD23 LEU 4 24.997 -3.788 -2.664
38 H ALA 5 HN ALA 5 20.881 0.003 -4.943
39 HA ALA 5 HA ALA 5 21.584 2.594 -4.283
40 HB1 ALA 5 HB1 ALA 5 19.814 3.295 -5.701
41 HB2 ALA 5 HB2 ALA 5 18.866 1.843 -5.363
42 HB3 ALA 5 HB3 ALA 5 20.329 1.733 -6.341
43 H LEU 6 HN LEU 6 19.721 0.464 -2.454
44 HA LEU 6 HA LEU 6 18.056 2.466 -1.168
45 HB2 LEU 6 HB2 LEU 6 18.431 -0.472 -0.583
46 HB3 LEU 6 HB1 LEU 6 17.197 0.573 0.116
47 HG LEU 6 HG LEU 6 17.437 0.277 -2.884
48 HD11 LEU 6 HD11 LEU 6 17.229 -1.998 -1.906
49 HD12 LEU 6 HD12 LEU 6 15.792 -1.528 -2.812
50 HD13 LEU 6 HD13 LEU 6 15.778 -1.477 -1.049
51 HD21 LEU 6 HD21 LEU 6 15.186 1.012 -0.973
52 HD22 LEU 6 HD22 LEU 6 14.957 0.748 -2.698
53 HD23 LEU 6 HD23 LEU 6 15.976 2.070 -2.143
54 H ALA 7 HN ALA 7 21.082 0.813 -0.635
55 HA ALA 7 HA ALA 7 21.272 1.087 2.148
56 HB1 ALA 7 HB1 ALA 7 23.044 0.374 -0.045
57 HB2 ALA 7 HB2 ALA 7 23.141 -0.130 1.636
58 HB3 ALA 7 HB3 ALA 7 23.918 1.366 1.122
59 HA PRO 8 HA PRO 8 23.673 5.369 1.091
60 HB2 PRO 8 HB2 PRO 8 21.632 5.942 -1.046
61 HB3 PRO 8 HB1 PRO 8 23.281 6.574 -0.871
62 HG2 PRO 8 HG2 PRO 8 22.818 4.631 -2.573
63 HG3 PRO 8 HG1 PRO 8 24.269 4.578 -1.544
64 HD2 PRO 8 HD2 PRO 8 21.772 2.955 -1.326
65 HD3 PRO 8 HD1 PRO 8 23.431 2.534 -0.855
66 H ALA 9 HN ALA 9 20.190 5.131 0.424
67 HA ALA 9 HA ALA 9 19.419 7.387 1.940
68 HB1 ALA 9 HB1 ALA 9 17.794 4.956 1.173
69 HB2 ALA 9 HB2 ALA 9 17.990 6.416 0.203
70 HB3 ALA 9 HB3 ALA 9 17.141 6.490 1.747
71 H LEU 10 HN LEU 10 20.154 4.111 2.850
72 HA LEU 10 HA LEU 10 18.915 4.344 5.454
73 HB2 LEU 10 HB2 LEU 10 18.595 2.139 4.849
74 HB3 LEU 10 HB1 LEU 10 19.899 2.203 3.683
75 HG LEU 10 HG LEU 10 21.521 1.968 5.605
76 HD11 LEU 10 HD11 LEU 10 19.288 0.910 7.329
77 HD12 LEU 10 HD12 LEU 10 19.478 2.656 7.266
78 HD13 LEU 10 HD13 LEU 10 20.822 1.647 7.794
79 HD21 LEU 10 HD21 LEU 10 20.919 -0.485 5.944
80 HD22 LEU 10 HD22 LEU 10 21.017 0.046 4.266
81 HD23 LEU 10 HD23 LEU 10 19.444 -0.159 5.034
82 H ALA 11 HN ALA 11 21.687 5.148 3.966
83 HA ALA 11 HA ALA 11 23.796 4.653 5.651
84 HB1 ALA 11 HB1 ALA 11 23.961 5.908 3.505
85 HB2 ALA 11 HB2 ALA 11 24.842 6.676 4.827
86 HB3 ALA 11 HB3 ALA 11 23.280 7.318 4.318
87 H LEU 12 HN LEU 12 20.984 6.477 6.338
88 HA LEU 12 HA LEU 12 22.093 8.165 8.351
89 HB2 LEU 12 HB2 LEU 12 19.809 8.346 7.062
90 HB3 LEU 12 HB1 LEU 12 19.204 7.303 8.344
91 HG LEU 12 HG LEU 12 20.541 10.006 8.700
92 HD11 LEU 12 HD11 LEU 12 18.185 10.031 7.880
93 HD12 LEU 12 HD12 LEU 12 18.348 10.719 9.497
94 HD13 LEU 12 HD13 LEU 12 17.712 9.086 9.293
95 HD21 LEU 12 HD21 LEU 12 19.738 9.583 11.139
96 HD22 LEU 12 HD22 LEU 12 21.187 8.738 10.605
97 HD23 LEU 12 HD23 LEU 12 19.644 7.884 10.669
98 H ALA 13 HN ALA 13 19.872 5.371 8.686
99 HA ALA 13 HA ALA 13 20.314 5.035 11.434
100 HB1 ALA 13 HB1 ALA 13 19.222 2.952 11.251
101 HB2 ALA 13 HB2 ALA 13 19.752 2.717 9.587
102 HB3 ALA 13 HB3 ALA 13 18.517 3.919 9.957
103 H LEU 14 HN LEU 14 22.067 3.852 8.614
104 HA LEU 14 HA LEU 14 23.698 1.967 9.830
105 HB2 LEU 14 HB2 LEU 14 23.568 2.573 7.363
106 HB3 LEU 14 HB1 LEU 14 24.632 3.928 7.720
107 HG LEU 14 HG LEU 14 25.519 1.188 8.636
108 HD11 LEU 14 HD11 LEU 14 25.810 2.129 5.773
109 HD12 LEU 14 HD12 LEU 14 24.744 0.830 6.307
110 HD13 LEU 14 HD13 LEU 14 26.491 0.660 6.470
111 HD21 LEU 14 HD21 LEU 14 26.935 3.120 9.159
112 HD22 LEU 14 HD22 LEU 14 26.937 3.613 7.469
113 HD23 LEU 14 HD23 LEU 14 27.744 2.123 7.952
114 H ALA 15 HN ALA 15 24.157 5.477 9.578
115 HA ALA 15 HA ALA 15 26.612 5.593 10.939
116 HB1 ALA 15 HB1 ALA 15 25.497 7.483 9.685
117 HB2 ALA 15 HB2 ALA 15 26.153 7.931 11.261
118 HB3 ALA 15 HB3 ALA 15 24.419 7.673 11.069
119 H LEU 16 HN LEU 16 23.363 5.086 12.030
120 HA LEU 16 HA LEU 16 23.806 5.769 14.756
121 HB2 LEU 16 HB2 LEU 16 21.561 5.618 13.430
122 HB3 LEU 16 HB1 LEU 16 21.612 3.920 13.888
123 HG LEU 16 HG LEU 16 22.066 4.873 16.319
124 HD11 LEU 16 HD11 LEU 16 20.728 7.214 14.922
125 HD12 LEU 16 HD12 LEU 16 22.285 7.227 15.748
126 HD13 LEU 16 HD13 LEU 16 20.801 7.015 16.671
127 HD21 LEU 16 HD21 LEU 16 19.560 5.054 16.664
128 HD22 LEU 16 HD22 LEU 16 20.077 3.592 15.826
129 HD23 LEU 16 HD23 LEU 16 19.376 4.928 14.914
130 H TRP 17 HN TRP 17 23.051 2.501 13.418
131 HA TRP 17 HA TRP 17 24.131 1.299 15.789
132 HB2 TRP 17 HB2 TRP 17 23.750 -0.851 14.578
133 HB3 TRP 17 HB1 TRP 17 22.333 0.155 14.810
134 HD1 TRP 17 HD1 TRP 17 21.364 1.407 12.635
135 HE1 TRP 17 HE1 TRP 17 21.555 0.813 10.131
136 HE3 TRP 17 HE3 TRP 17 25.278 -1.872 12.789
137 HZ2 TRP 17 HZ2 TRP 17 23.146 -0.822 8.428
138 HZ3 TRP 17 HZ3 TRP 17 26.110 -2.933 10.711
139 HH2 TRP 17 HH2 TRP 17 25.050 -2.413 8.529
140 H TRP 18 HN TRP 18 25.329 1.582 12.460
141 HA TRP 18 HA TRP 18 27.531 -0.101 12.647
142 HB2 TRP 18 HB2 TRP 18 26.755 1.289 10.623
143 HB3 TRP 18 HB1 TRP 18 27.700 2.607 11.310
144 HD1 TRP 18 HD1 TRP 18 28.145 -1.029 10.115
145 HE1 TRP 18 HE1 TRP 18 30.577 -1.322 9.302
146 HE3 TRP 18 HE3 TRP 18 30.041 3.555 11.323
147 HZ2 TRP 18 HZ2 TRP 18 32.992 0.179 9.182
148 HZ3 TRP 18 HZ3 TRP 18 32.413 4.097 10.847
149 HH2 TRP 18 HH2 TRP 18 33.891 2.416 9.779
150 H ALA 19 HN ALA 19 27.367 3.355 13.411
151 HA ALA 19 HA ALA 19 29.926 3.254 14.815
152 HB1 ALA 19 HB1 ALA 19 29.230 5.142 13.228
153 HB2 ALA 19 HB2 ALA 19 29.879 5.620 14.797
154 HB3 ALA 19 HB3 ALA 19 28.139 5.660 14.513
155 HA1 ETA 20 HA1 ETA 20 26.050 2.919 17.791
156 HA2 ETA 20 HA2 ETA 20 27.641 2.860 18.553
157 HN2 ETA 20 HN ETA 20 27.534 1.878 15.807
158 HB1 ETA 20 HB1 ETA 20 26.674 0.813 19.172
159 HB2 ETA 20 HB2 ETA 20 27.642 0.373 17.771
160 HO ETA 20 HG ETA 20 24.980 0.234 18.066
Start of MODEL 10
1 H1 ACE 0 HA2 ACE 0 22.243 -6.702 -4.452
2 H2 ACE 0 HA3 ACE 0 23.863 -7.077 -5.044
3 H3 ACE 0 HA1 ACE 0 22.552 -8.234 -5.268
4 H GLY 1 HN GLY 1 21.659 -4.947 -5.665
5 HA2 GLY 1 HA2 GLY 1 22.300 -4.671 -8.438
6 HA3 GLY 1 HA1 GLY 1 20.620 -5.134 -8.168
7 H TRP 2 HN TRP 2 19.539 -3.404 -8.529
8 HA TRP 2 HA TRP 2 20.374 -0.771 -7.836
9 HB2 TRP 2 HB2 TRP 2 17.750 -0.378 -8.377
10 HB3 TRP 2 HB1 TRP 2 18.949 -0.566 -9.653
11 HD1 TRP 2 HD1 TRP 2 17.689 -3.287 -7.428
12 HE1 TRP 2 HE1 TRP 2 16.507 -5.109 -8.840
13 HE3 TRP 2 HE3 TRP 2 17.794 -1.016 -11.954
14 HZ2 TRP 2 HZ2 TRP 2 15.714 -5.513 -11.554
15 HZ3 TRP 2 HZ3 TRP 2 16.823 -2.121 -13.950
16 HH2 TRP 2 HH2 TRP 2 15.783 -4.366 -13.759
17 H TRP 3 HN TRP 3 19.789 -3.104 -5.835
18 HA TRP 3 HA TRP 3 17.863 -1.897 -4.069
19 HB2 TRP 3 HB2 TRP 3 19.744 -4.055 -3.192
20 HB3 TRP 3 HB1 TRP 3 18.082 -3.774 -2.693
21 HD1 TRP 3 HD1 TRP 3 19.898 -6.193 -4.472
22 HE1 TRP 3 HE1 TRP 3 18.518 -7.379 -6.292
23 HE3 TRP 3 HE3 TRP 3 16.006 -2.927 -4.901
24 HZ2 TRP 3 HZ2 TRP 3 16.093 -6.997 -7.729
25 HZ3 TRP 3 HZ3 TRP 3 14.194 -3.351 -6.489
26 HH2 TRP 3 HH2 TRP 3 14.212 -5.383 -7.916
27 H LEU 4 HN LEU 4 21.306 -2.621 -3.861
28 HA LEU 4 HA LEU 4 21.859 -1.254 -1.517
29 HB2 LEU 4 HB2 LEU 4 23.781 -1.276 -3.848
30 HB3 LEU 4 HB1 LEU 4 24.143 -1.322 -2.124
31 HG LEU 4 HG LEU 4 22.596 -3.635 -2.407
32 HD11 LEU 4 HD11 LEU 4 23.669 -4.843 -4.358
33 HD12 LEU 4 HD12 LEU 4 24.170 -3.269 -4.965
34 HD13 LEU 4 HD13 LEU 4 22.464 -3.639 -4.765
35 HD21 LEU 4 HD21 LEU 4 24.685 -3.607 -1.174
36 HD22 LEU 4 HD22 LEU 4 25.608 -3.320 -2.651
37 HD23 LEU 4 HD23 LEU 4 24.796 -4.867 -2.405
38 H ALA 5 HN ALA 5 21.225 -0.158 -4.720
39 HA ALA 5 HA ALA 5 22.285 2.407 -4.778
40 HB1 ALA 5 HB1 ALA 5 19.562 1.710 -5.877
41 HB2 ALA 5 HB2 ALA 5 21.050 1.116 -6.614
42 HB3 ALA 5 HB3 ALA 5 20.746 2.850 -6.522
43 H LEU 6 HN LEU 6 19.721 1.161 -2.831
44 HA LEU 6 HA LEU 6 18.639 3.804 -2.189
45 HB2 LEU 6 HB2 LEU 6 17.720 1.151 -1.105
46 HB3 LEU 6 HB1 LEU 6 16.820 2.662 -1.238
47 HG LEU 6 HG LEU 6 17.755 0.925 -3.536
48 HD11 LEU 6 HD11 LEU 6 15.805 0.015 -2.391
49 HD12 LEU 6 HD12 LEU 6 15.299 0.705 -3.933
50 HD13 LEU 6 HD13 LEU 6 15.009 1.588 -2.434
51 HD21 LEU 6 HD21 LEU 6 16.439 3.652 -3.429
52 HD22 LEU 6 HD22 LEU 6 16.303 2.612 -4.848
53 HD23 LEU 6 HD23 LEU 6 17.887 3.175 -4.317
54 H ALA 7 HN ALA 7 21.158 1.943 -1.166
55 HA ALA 7 HA ALA 7 20.835 2.046 1.656
56 HB1 ALA 7 HB1 ALA 7 22.419 0.555 0.211
57 HB2 ALA 7 HB2 ALA 7 22.952 1.086 1.804
58 HB3 ALA 7 HB3 ALA 7 23.542 1.905 0.361
59 HA PRO 8 HA PRO 8 23.865 5.966 0.975
60 HB2 PRO 8 HB2 PRO 8 22.000 7.072 -1.114
61 HB3 PRO 8 HB1 PRO 8 23.745 7.330 -0.911
62 HG2 PRO 8 HG2 PRO 8 22.929 5.686 -2.759
63 HG3 PRO 8 HG1 PRO 8 24.285 5.202 -1.713
64 HD2 PRO 8 HD2 PRO 8 21.425 4.316 -1.592
65 HD3 PRO 8 HD1 PRO 8 22.901 3.359 -1.343
66 H ALA 9 HN ALA 9 20.408 6.307 0.261
67 HA ALA 9 HA ALA 9 19.941 8.522 1.948
68 HB1 ALA 9 HB1 ALA 9 17.577 8.034 1.645
69 HB2 ALA 9 HB2 ALA 9 17.962 6.417 1.056
70 HB3 ALA 9 HB3 ALA 9 18.426 7.832 0.111
71 H LEU 10 HN LEU 10 20.134 5.095 2.583
72 HA LEU 10 HA LEU 10 18.953 5.327 5.215
73 HB2 LEU 10 HB2 LEU 10 18.257 3.273 4.418
74 HB3 LEU 10 HB1 LEU 10 19.575 3.196 3.268
75 HG LEU 10 HG LEU 10 21.094 2.527 5.161
76 HD11 LEU 10 HD11 LEU 10 18.694 1.783 6.823
77 HD12 LEU 10 HD12 LEU 10 19.199 3.466 6.875
78 HD13 LEU 10 HD13 LEU 10 20.332 2.197 7.329
79 HD21 LEU 10 HD21 LEU 10 18.663 0.851 4.481
80 HD22 LEU 10 HD22 LEU 10 20.070 0.209 5.330
81 HD23 LEU 10 HD23 LEU 10 20.241 0.833 3.689
82 H ALA 11 HN ALA 11 21.829 5.736 3.746
83 HA ALA 11 HA ALA 11 23.809 4.752 5.376
84 HB1 ALA 11 HB1 ALA 11 23.832 7.563 4.265
85 HB2 ALA 11 HB2 ALA 11 24.161 6.124 3.298
86 HB3 ALA 11 HB3 ALA 11 25.224 6.547 4.639
87 H LEU 12 HN LEU 12 21.379 7.013 6.198
88 HA LEU 12 HA LEU 12 22.763 8.346 8.306
89 HB2 LEU 12 HB2 LEU 12 19.848 8.043 7.586
90 HB3 LEU 12 HB1 LEU 12 20.349 8.872 9.060
91 HG LEU 12 HG LEU 12 21.633 10.486 7.793
92 HD11 LEU 12 HD11 LEU 12 22.563 9.232 6.009
93 HD12 LEU 12 HD12 LEU 12 21.451 10.347 5.219
94 HD13 LEU 12 HD13 LEU 12 20.982 8.665 5.470
95 HD21 LEU 12 HD21 LEU 12 18.937 10.036 6.466
96 HD22 LEU 12 HD22 LEU 12 19.820 11.561 6.527
97 HD23 LEU 12 HD23 LEU 12 19.177 10.855 8.010
98 H ALA 13 HN ALA 13 20.097 5.957 8.472
99 HA ALA 13 HA ALA 13 20.452 5.388 11.196
100 HB1 ALA 13 HB1 ALA 13 19.493 3.345 9.195
101 HB2 ALA 13 HB2 ALA 13 18.488 4.706 9.689
102 HB3 ALA 13 HB3 ALA 13 19.028 3.526 10.885
103 H LEU 14 HN LEU 14 21.957 4.044 8.296
104 HA LEU 14 HA LEU 14 23.227 1.861 9.462
105 HB2 LEU 14 HB2 LEU 14 23.149 2.490 6.998
106 HB3 LEU 14 HB1 LEU 14 24.450 3.625 7.329
107 HG LEU 14 HG LEU 14 24.844 0.766 8.225
108 HD11 LEU 14 HD11 LEU 14 25.733 0.156 5.996
109 HD12 LEU 14 HD12 LEU 14 25.109 1.674 5.348
110 HD13 LEU 14 HD13 LEU 14 23.995 0.452 5.965
111 HD21 LEU 14 HD21 LEU 14 27.185 1.282 7.486
112 HD22 LEU 14 HD22 LEU 14 26.603 2.404 8.709
113 HD23 LEU 14 HD23 LEU 14 26.653 2.895 7.018
114 H ALA 15 HN ALA 15 24.322 5.225 9.181
115 HA ALA 15 HA ALA 15 26.783 4.886 10.492
116 HB1 ALA 15 HB1 ALA 15 24.937 7.286 10.408
117 HB2 ALA 15 HB2 ALA 15 26.266 6.943 9.300
118 HB3 ALA 15 HB3 ALA 15 26.602 7.323 10.989
119 H LEU 16 HN LEU 16 23.519 5.002 11.645
120 HA LEU 16 HA LEU 16 24.137 5.594 14.359
121 HB2 LEU 16 HB2 LEU 16 21.880 5.872 13.074
122 HB3 LEU 16 HB1 LEU 16 21.616 4.196 13.538
123 HG LEU 16 HG LEU 16 22.286 5.047 15.956
124 HD11 LEU 16 HD11 LEU 16 21.398 7.599 14.571
125 HD12 LEU 16 HD12 LEU 16 22.941 7.315 15.374
126 HD13 LEU 16 HD13 LEU 16 21.458 7.392 16.319
127 HD21 LEU 16 HD21 LEU 16 20.058 4.173 15.351
128 HD22 LEU 16 HD22 LEU 16 19.616 5.743 14.680
129 HD23 LEU 16 HD23 LEU 16 19.905 5.575 16.411
130 H TRP 17 HN TRP 17 22.760 2.528 13.038
131 HA TRP 17 HA TRP 17 23.627 1.141 15.397
132 HB2 TRP 17 HB2 TRP 17 22.826 -0.888 14.245
133 HB3 TRP 17 HB1 TRP 17 21.622 0.377 14.397
134 HD1 TRP 17 HD1 TRP 17 20.776 1.523 12.176
135 HE1 TRP 17 HE1 TRP 17 20.985 0.861 9.692
136 HE3 TRP 17 HE3 TRP 17 24.439 -2.024 12.501
137 HZ2 TRP 17 HZ2 TRP 17 22.495 -0.921 8.066
138 HZ3 TRP 17 HZ3 TRP 17 25.243 -3.188 10.467
139 HH2 TRP 17 HH2 TRP 17 24.278 -2.642 8.248
140 H TRP 18 HN TRP 18 24.802 1.184 12.046
141 HA TRP 18 HA TRP 18 26.661 -0.873 12.213
142 HB2 TRP 18 HB2 TRP 18 26.111 0.627 10.190
143 HB3 TRP 18 HB1 TRP 18 27.301 1.747 10.845
144 HD1 TRP 18 HD1 TRP 18 27.021 -1.897 9.641
145 HE1 TRP 18 HE1 TRP 18 29.338 -2.654 8.796
146 HE3 TRP 18 HE3 TRP 18 29.789 2.217 10.851
147 HZ2 TRP 18 HZ2 TRP 18 31.999 -1.653 8.652
148 HZ3 TRP 18 HZ3 TRP 18 32.215 2.289 10.347
149 HH2 TRP 18 HH2 TRP 18 33.325 0.361 9.250
150 H ALA 19 HN ALA 19 27.152 2.562 12.936
151 HA ALA 19 HA ALA 19 29.653 1.980 14.347
152 HB1 ALA 19 HB1 ALA 19 28.430 4.697 13.908
153 HB2 ALA 19 HB2 ALA 19 29.387 3.894 12.664
154 HB3 ALA 19 HB3 ALA 19 30.118 4.295 14.218
155 HA1 ETA 20 HA1 ETA 20 25.831 1.216 17.353
156 HA2 ETA 20 HA2 ETA 20 26.224 2.930 17.481
157 HN2 ETA 20 HN ETA 20 27.033 1.187 15.380
158 HB1 ETA 20 HB1 ETA 20 27.116 1.581 19.380
159 HB2 ETA 20 HB2 ETA 20 28.390 2.379 18.467
160 HO ETA 20 HG ETA 20 29.032 0.536 17.613