1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
|
Cpptraj Generated trajectory
14.519 24.466 25.701 15.441 24.723 26.024 14.258 23.598 26.147 13.848
25.133 26.057 14.540 24.367 24.223 13.662 23.830 23.863 14.594 25.755
23.685 13.601 26.053 24.019 15.452 26.172 24.213 14.806 25.791 22.279
14.147 26.431 22.000 15.689 23.492 23.767 16.802 23.669 24.314 15.485
22.756 22.676 14.575 22.781 22.241 16.545 21.931 22.113 17.228 21.581
22.888 15.928 20.639 21.585 15.071 20.844 20.943 16.695 20.165 20.973
15.533 19.708 22.631 14.274 19.218 23.046 13.359 19.598 22.617 14.475
18.346 24.102 13.699 17.888 24.558 15.794 18.017 24.266 16.450 16.930
24.811 15.767 16.222 25.256 17.842 16.811 24.739 18.288 15.928 25.174
18.576 17.788 24.050 19.638 17.597 24.018 17.909 18.696 23.333 18.478
19.324 22.664 16.495 18.885 23.374 17.225 22.675 20.928 16.607 23.363
20.124 18.567 22.558 20.740 19.098 21.988 21.382 19.283 23.368 19.791
18.646 23.664 18.957 19.911 24.517 20.621 20.472 24.139 21.476 20.939
25.321 19.794 21.780 24.696 19.491 20.532 25.667 18.845 21.335 26.161
20.364 18.873 25.343 21.179 18.440 24.744 21.792 20.270 22.332 19.168
20.685 21.379 19.875 20.642 22.545 17.933 20.346 23.417 17.518 21.652
21.773 17.167 21.870 20.801 17.611 21.198 21.453 15.746 20.289 20.851
15.731 21.015 22.427 15.291 22.199 20.629 14.970 22.979 21.007 13.946
22.990 21.987 13.493 23.614 19.924 13.394 24.309 19.924 12.661 23.391
18.811 14.164 23.951 17.515 14.092 24.657 17.257 13.317 23.577 16.555
15.033 23.823 15.504 15.015 22.749 16.935 16.145 22.395 16.197 16.849
22.142 18.192 16.098 21.349 18.468 16.777 22.448 19.219 15.143 22.883
22.590 17.170 22.980 23.476 16.364 23.882 22.311 17.988 23.830 21.610
18.713 25.065 23.164 17.946 25.089 23.822 17.077 24.982 23.993 19.206
24.098 24.631 19.210 24.796 23.360 20.073 26.119 24.942 19.440 27.066
24.403 19.460 26.076 25.679 18.638 26.015 25.673 20.778 25.983 24.985
21.830 26.066 26.896 20.785 26.280 22.355 17.992 26.392 21.441 18.870
27.247 22.679 17.082 27.015 23.395 16.408 28.510 22.007 16.882 28.890
22.284 15.899 29.589 22.572 17.819 29.130 22.587 18.808 30.405 21.849
17.829 30.153 23.915 17.498 30.186 24.311 16.373 30.707 24.528 18.516
30.608 24.093 19.422 31.323 25.319 18.394 28.395 20.410 16.904 29.223
19.756 17.527 27.429 19.770 16.234 26.694 20.238 15.724 27.382 18.328
16.141 27.111 17.976 15.145 28.331 17.802 16.253 26.437 17.585 17.058
26.410 16.316 17.016 25.806 18.301 18.028 26.054 19.273 18.146 24.999
17.667 19.071 24.762 16.647 18.770 25.884 17.678 20.363 26.965 17.654
20.226 25.720 18.568 20.971 25.578 16.451 21.249 26.059 16.576 22.219
24.513 16.453 21.483 25.960 15.082 20.665 25.570 14.847 19.674 27.033
15.032 20.477 25.717 13.899 21.522 26.248 13.049 21.095 26.103 13.996
22.537 24.293 13.490 21.467 23.705 14.140 21.968 23.961 13.517 20.514
24.199 12.577 21.889 23.679 18.411 19.392 23.700 19.636 19.585 22.588
17.683 19.540 22.635 16.697 19.324 21.428 18.225 20.194 21.188 19.184
19.736 20.217 17.267 20.194 20.480 16.309 20.643 19.453 17.773 20.784
19.715 16.944 18.812 19.708 15.708 18.199 20.123 14.813 18.637 19.192
15.876 16.936 19.012 15.144 16.264 18.667 17.117 16.699 17.988 17.630
15.607 17.727 17.061 14.727 17.479 18.894 15.744 16.977 19.304 14.880
17.615 19.639 16.931 17.043 20.555 16.963 18.519 19.169 17.862 18.676
19.785 18.735 19.046 17.852 17.834 21.763 18.486 21.713 22.243 17.582
22.440 21.627 19.746 22.076 21.253 20.324 21.337 21.870 20.207 23.458
21.881 19.403 24.193 23.298 20.798 23.646 23.995 19.991 23.422 23.593
22.015 22.790 24.529 22.483 23.095 23.735 21.630 21.780 22.875 22.836
22.787 23.551 21.165 24.977 24.463 20.939 25.171 20.777 21.132 23.929
20.017 21.679 23.133 20.724 21.309 25.253 21.399 20.775 25.782 19.675
22.084 25.948 18.803 22.056 25.294 19.291 21.419 27.279 19.082 20.371
27.067 20.116 21.410 27.991 18.079 22.099 27.896 18.043 23.040 28.835
18.801 23.463 29.477 16.824 23.565 28.982 16.618 24.391 29.524 15.946
22.797 28.269 14.528 22.785 28.288 13.915 23.498 28.820 13.904 21.834
27.423 12.841 21.819 27.228 14.698 20.997 26.561 14.199 20.265 25.945
16.114 21.036 26.519 16.710 20.269 26.048 16.733 21.899 27.496 20.082
23.545 26.118 21.241 23.776 26.521 19.168 24.489 25.956 18.264 24.135
25.678 19.318 25.948 26.045 20.148 26.113 26.732 19.552 26.627 24.722
18.677 26.664 24.073 19.888 27.658 24.828 20.708 26.023 23.833 20.523
24.976 23.595 20.769 26.399 22.812 22.160 26.154 24.476 22.359 27.211
24.655 22.196 25.656 25.445 23.267 25.743 23.592 23.074 24.838 23.017
23.303 26.564 22.875 24.574 25.694 24.267 25.336 25.673 23.605 24.679
26.502 24.864 24.627 24.903 24.892 18.054 26.568 26.689 16.971 26.051
26.497 18.132 27.683 27.329 19.003 28.136 27.567 17.222 27.883 27.719
19.515 31.712 40.875 19.497 32.492 40.321 19.343 32.041 41.757 20.744
13.526 20.902 19.834 13.434 21.185 21.208 13.827 21.683 16.350 18.468
51.132 15.421 18.584 51.334 16.436 18.760 50.225 16.849 9.296 41.843
17.293 9.404 41.002 16.627 10.187 42.113 10.894 15.373 42.714 10.665
14.830 41.960 11.734 15.768 42.478 26.095 32.875 45.818 25.217 33.231
45.955 26.677 33.493 46.260 34.829 36.847 34.288 35.073 36.315 35.045
34.111 36.364 33.878 9.939 4.549 26.701 9.581 3.686 26.494 9.361
4.891 27.383 16.184 19.623 48.557 15.713 20.220 47.977 16.043 18.756
48.175 23.484 21.181 48.713 23.091 20.685 49.431 22.836 21.854 48.504
42.439 42.439 42.439
14.555 24.335 25.991 15.290 24.999 26.184 14.774 23.450 26.426 13.721
24.720 26.410 14.362 24.126 24.472 13.466 23.517 24.348 14.150 25.488
23.860 13.334 26.024 24.345 15.079 26.021 24.059 13.945 25.391 22.468
13.570 26.215 22.151 15.504 23.359 23.750 16.625 23.410 24.269 15.308
22.684 22.609 14.376 22.697 22.220 16.430 21.991 21.943 17.215 21.811
22.678 16.035 20.679 21.403 15.206 20.754 20.699 16.777 20.231 20.742
15.737 19.678 22.460 14.499 19.316 22.936 13.562 19.726 22.588 14.668
18.424 23.978 13.920 18.058 24.549 15.924 18.109 24.169 16.545 17.119
24.977 16.011 16.621 25.773 17.919 16.933 24.772 18.442 16.144 25.291
18.668 17.653 23.857 19.677 17.334 23.642 18.063 18.637 23.036 18.567
19.146 22.228 16.701 18.864 23.237 17.165 22.966 20.919 16.480 23.794
20.270 18.418 22.783 20.617 18.933 22.078 21.125 19.235 23.564 19.711
18.675 23.969 18.867 19.891 24.626 20.554 20.388 24.189 21.420 20.993
25.403 19.808 21.910 24.865 19.569 20.714 25.684 18.792 21.198 26.351
20.304 18.979 25.502 21.185 18.077 25.251 20.973 20.256 22.482 19.125
20.935 21.803 19.961 20.483 22.470 17.800 20.059 23.056 17.095 21.584
21.761 17.138 21.895 20.891 17.716 21.226 21.298 15.701 20.394 20.604
15.814 20.868 22.202 15.207 22.311 20.568 14.891 22.983 21.111 13.816
22.944 22.103 13.390 23.999 20.271 13.440 24.710 20.500 12.760 23.901
19.043 14.094 24.551 17.799 14.005 25.280 17.641 13.225 24.252 16.787
14.943 24.730 15.819 14.956 23.362 16.960 15.924 23.056 16.152 16.571
22.676 18.161 16.071 21.928 18.224 16.847 22.880 19.250 15.106 22.876
22.607 17.115 22.930 23.702 16.519 23.972 22.112 17.713 23.843 21.203
18.135 25.215 22.887 17.989 25.206 23.583 17.150 24.954 23.735 19.316
24.032 24.298 19.173 24.880 23.041 20.153 26.040 24.677 19.842 26.997
24.156 19.810 26.168 25.558 19.213 25.672 25.204 21.254 25.541 24.319
22.128 25.546 26.450 21.498 26.422 21.979 18.049 26.544 21.167 18.959
27.447 22.260 17.216 27.356 22.982 16.517 28.717 21.589 17.203 29.152
21.877 16.246 29.729 22.242 18.308 29.108 22.435 19.183 30.578 21.596
18.529 30.284 23.585 17.902 30.286 24.009 16.760 30.641 24.442 18.802
30.672 24.122 19.759 30.799 25.403 18.534 28.615 20.049 17.312 29.248
19.369 18.164 27.960 19.478 16.305 27.435 20.088 15.695 27.866 17.983
16.245 27.637 17.787 15.198 28.823 17.487 16.410 26.825 17.390 17.241
26.786 16.156 17.371 25.894 18.183 17.869 26.039 19.179 17.786 24.993
17.727 18.879 24.805 16.684 18.625 25.672 17.806 20.257 26.686 18.205
20.284 25.269 18.620 20.859 25.647 16.500 20.972 26.043 16.677 21.972
24.602 16.196 21.030 26.424 15.350 20.336 25.778 15.073 19.502 27.379
15.707 19.950 26.708 14.203 21.402 27.380 13.406 21.083 27.169 14.731
22.237 25.401 13.624 21.825 24.845 14.277 22.358 24.856 13.261 21.056
25.494 12.887 22.510 23.596 18.308 18.963 23.399 19.500 18.811 22.557
17.592 19.323 22.749 16.604 19.236 21.301 18.047 19.945 20.998 19.031
19.585 20.103 17.175 19.754 20.480 16.156 19.829 19.379 17.398 20.538
19.443 17.261 18.382 19.635 16.439 17.345 20.364 15.647 17.430 18.934
16.921 16.252 18.916 16.437 15.366 18.402 18.155 16.438 17.766 19.075
15.633 17.508 18.943 14.592 17.450 20.313 16.196 16.721 20.968 15.742
17.732 20.664 17.532 17.409 21.581 18.001 18.304 19.714 18.333 18.557
19.880 19.370 18.710 18.434 17.819 21.669 18.238 21.365 22.169 17.339
22.104 21.274 19.475 21.849 21.136 20.281 21.256 21.533 20.003 23.210
21.640 19.229 23.970 22.974 20.544 23.184 23.632 19.855 22.655 23.164
21.920 22.525 24.244 21.979 22.388 22.698 21.933 21.540 22.818 22.770
23.114 23.387 20.703 24.530 24.310 20.442 24.499 20.425 21.032 23.724
19.644 21.513 22.932 20.392 21.169 25.085 21.081 20.806 25.728 19.414
21.987 25.718 18.515 21.979 25.102 19.028 21.218 26.995 18.744 20.208
26.698 19.920 20.931 27.553 17.939 21.752 27.805 18.022 22.535 28.910
18.931 22.859 29.394 16.767 22.842 29.379 16.739 23.421 30.206 15.776
22.293 28.618 14.337 22.415 28.620 13.735 22.844 29.407 13.627 21.693
27.635 12.549 21.760 27.646 14.354 20.933 26.668 13.745 20.377 25.971
15.781 20.923 26.602 16.328 20.438 25.807 16.496 21.544 27.624 19.891
23.390 26.105 21.002 23.594 26.605 18.957 24.334 25.893 18.125 23.990
25.435 19.082 25.808 26.168 19.965 26.007 26.775 19.345 26.614 24.839
18.454 26.642 24.212 19.557 27.613 25.221 20.545 26.121 23.945 20.386
25.080 23.663 20.566 26.792 23.087 21.946 26.348 24.562 22.160 27.398
24.765 21.990 25.811 25.509 22.983 25.782 23.579 22.643 24.780 23.318
23.087 26.389 22.680 24.255 25.623 24.208 24.916 25.270 23.531 24.582
26.476 24.637 24.165 24.864 24.869 17.798 26.396 26.717 16.655 26.012
26.400 17.888 27.363 27.661 18.807 27.498 28.056 17.065 27.623 28.187
19.777 30.050 40.076 20.161 30.708 39.496 19.196 30.547 40.651 21.122
12.731 22.295 20.377 13.324 22.204 21.802 13.114 21.741 16.593 17.547
50.695 15.915 16.912 50.926 16.558 17.598 49.739 18.158 8.930 42.185
19.032 8.581 42.013 17.827 9.184 41.323 12.799 17.030 42.703 12.302
16.959 41.888 13.102 17.938 42.720 26.257 33.947 45.831 25.373 33.622
46.001 26.673 33.970 46.693 33.508 36.990 35.886 32.830 36.497 36.349
34.186 36.342 35.695 10.309 5.556 26.987 10.142 5.147 27.837 9.799
6.365 27.007 16.553 18.167 48.073 16.226 17.315 47.784 17.287 18.353
47.488 24.001 21.045 49.424 23.242 20.796 49.951 23.868 21.974 49.236
42.427 42.427 42.427
|
