____Time[ps] Energy[ kJ/mol ]_____Bond _______Angle ____Dihedral ___Planarity _____Coulomb _________VdW RMSDs-001:CA ____Backbone __HeavyAtoms RMSDs-AVR:CA ____Backbone __HeavyAtoms 0.000 -477248.901 179.699 575.783 16579.408 30.100 -581386.213 86772.322 0.619 0.721 0.813 0.619 0.721 0.813 250.000 -386514.275 857.185 1543.922 16605.591 95.710 -461883.112 56266.428 2.331 2.427 2.842 2.331 2.427 2.842 500.000 -386168.455 757.516 1517.563 16648.712 128.883 -462402.696 57181.567 1.965 2.077 2.588 1.965 2.077 2.588 750.000 -387446.288 825.129 1591.091 16422.511 136.870 -462197.615 55775.724 2.087 2.207 2.633 2.087 2.207 2.633 1000.000 -386586.363 817.754 1633.848 16477.228 119.252 -463420.794 57786.349 1.954 2.029 2.512 1.954 2.029 2.512 1250.000 -386515.755 698.530 1528.878 16412.220 96.748 -462387.643 57135.513 2.201 2.317 2.916 2.201 2.317 2.916 1500.000 -387253.868 738.694 1594.322 16421.552 123.220 -463961.948 57830.293 1.983 2.066 2.604 1.983 2.066 2.604 1750.000 -386673.570 871.800 1565.015 16487.609 107.652 -461061.274 55355.628 2.072 2.194 2.913 2.072 2.194 2.913 2000.000 -386541.844 718.456 1531.985 16656.665 98.638 -464396.082 58848.492 1.952 2.051 2.744 1.952 2.051 2.744 2250.000 -386936.848 657.616 1621.809 16533.855 101.800 -462649.219 56797.291 2.106 2.209 2.911 2.106 2.209 2.911 2500.000 -387193.748 749.146 1543.545 16508.496 109.928 -462293.274 56188.411 2.234 2.351 3.005 2.234 2.351 3.005 2750.000 -387808.977 803.132 1605.486 16450.064 117.326 -461735.663 54950.677 1.968 2.090 2.750 1.968 2.090 2.750 3000.000 -386744.659 784.699 1638.872 16461.702 129.397 -461723.258 55963.930 2.176 2.297 2.940 2.176 2.297 2.940 3250.000 -386758.808 791.408 1570.444 16431.367 98.237 -463567.807 57917.542 1.917 2.006 2.770 1.917 2.006 2.770 3500.000 -386784.606 754.087 1524.953 16489.958 105.851 -463557.531 57898.075 2.301 2.458 2.945 2.301 2.458 2.945 3750.000 -386934.123 853.432 1461.356 16678.330 112.050 -461915.629 55876.338 1.946 2.069 2.698 1.946 2.069 2.698 4000.000 -386624.397 717.643 1486.242 16844.362 114.689 -463374.677 57587.345 2.055 2.211 2.750 2.055 2.211 2.750 4250.000 -386317.823 742.784 1657.282 16686.965 117.424 -461473.601 55951.323 1.972 2.117 2.704 1.972 2.117 2.704 4500.000 -386593.074 797.995 1555.785 16440.678 101.119 -461080.703 55592.053 2.171 2.308 2.773 2.171 2.308 2.773 4750.000 -387529.463 777.090 1613.174 16423.165 113.737 -462238.435 55781.806 2.195 2.323 2.930 2.195 2.323 2.930 5000.000 -387233.665 789.595 1658.307 16473.002 108.302 -463268.633 57005.763 2.026 2.161 2.880 2.026 2.161 2.880 5250.000 -387656.075 841.731 1587.764 16621.387 106.498 -463474.401 56660.947 1.996 2.137 2.695 1.996 2.137 2.695 5500.000 -386346.600 835.612 1596.934 16655.747 113.359 -461581.622 56033.370 2.392 2.462 3.047 2.392 2.462 3.047 5750.000 -386142.388 763.035 1583.729 16364.552 136.272 -462831.507 57841.531 2.064 2.170 2.848 2.064 2.170 2.848 6000.000 -384796.756 772.434 1533.085 16540.103 118.252 -460906.518 57145.888 2.132 2.223 2.985 2.132 2.223 2.985 6250.000 -386596.169 730.952 1535.710 16487.774 106.934 -462548.788 57091.249 2.177 2.244 2.901 2.177 2.244 2.901 6500.000 -387251.847 688.969 1581.336 16514.015 106.804 -462033.376 55890.405 2.295 2.373 3.119 2.295 2.373 3.119 6750.000 -385959.651 753.432 1471.239 16505.354 93.211 -460887.454 56104.567 1.979 2.102 2.788 1.979 2.102 2.788 7000.000 -386879.186 764.997 1496.956 16484.930 110.506 -462720.640 56984.065 1.966 2.073 2.839 1.966 2.073 2.839 7250.000 -387988.057 750.348 1557.709 16462.991 88.580 -463774.202 56926.518 2.452 2.556 3.312 2.452 2.556 3.312 7500.000 -386662.356 707.146 1662.198 16514.014 108.918 -462696.315 57041.683 2.059 2.109 2.902 2.059 2.109 2.902 7750.000 -386080.520 771.825 1477.643 16445.364 123.789 -462248.360 57349.218 2.157 2.270 2.928 2.157 2.270 2.928 8000.000 -388088.836 782.303 1541.255 16544.334 94.556 -463686.288 56635.004 2.104 2.181 2.880 2.104 2.181 2.880 8250.000 -386709.566 720.087 1555.385 16538.797 118.583 -462924.795 57282.377 2.228 2.312 3.071 2.228 2.312 3.071 8500.000 -386885.824 834.457 1532.018 16435.865 107.755 -461316.992 55521.075 2.194 2.304 2.971 2.194 2.304 2.971 8750.000 -387305.993 755.524 1520.239 16418.791 108.184 -463146.199 57037.467 2.416 2.538 3.226 2.416 2.538 3.226 9000.000 -386601.318 729.467 1517.935 16633.097 108.350 -461998.597 56408.430 2.300 2.371 3.107 2.300 2.371 3.107 9250.000 -387013.505 786.870 1551.715 16324.044 76.480 -462281.322 56528.708 2.267 2.349 3.140 2.267 2.349 3.140 9500.000 -386531.624 670.767 1496.399 16711.401 100.358 -462002.451 56491.900 2.357 2.472 3.391 2.357 2.472 3.391 9750.000 -387566.733 757.444 1481.791 16503.396 120.757 -462475.231 56045.111 2.724 2.850 3.469 2.724 2.850 3.469 10000.000 -385513.503 598.457 1620.853 16551.178 124.304 -462367.575 57959.279 2.482 2.595 3.336 2.482 2.595 3.336 10250.000 -386287.976 772.376 1587.905 16395.451 129.117 -462338.579 57165.753 2.317 2.412 3.053 2.317 2.412 3.053 10500.000 -387546.162 722.160 1561.988 16460.526 107.371 -463642.339 57244.132 2.420 2.555 3.208 2.420 2.555 3.208 10750.000 -387457.302 750.951 1585.228 16395.390 130.408 -463564.220 57244.941 2.033 2.111 2.926 2.033 2.111 2.926 11000.000 -386086.884 822.246 1500.476 16506.168 111.708 -461736.107 56708.624 2.246 2.334 2.964 2.246 2.334 2.964 11250.000 -387647.698 699.613 1579.697 16259.588 140.078 -462846.434 56519.760 2.417 2.493 3.134 2.417 2.493 3.134 11500.000 -387297.909 743.627 1559.042 16393.441 128.029 -463072.996 56950.948 2.123 2.230 2.964 2.123 2.230 2.964 11750.000 -386914.957 750.059 1576.838 16375.763 101.872 -462829.256 57109.767 2.295 2.417 3.102 2.295 2.417 3.102 12000.000 -387516.357 801.356 1631.714 16385.333 117.276 -462393.985 55941.949 2.225 2.345 2.907 2.225 2.345 2.907 12250.000 -386320.878 727.274 1469.522 16450.843 113.031 -462061.377 56979.829 2.379 2.490 3.053 2.379 2.490 3.053 12500.000 -386983.081 685.704 1593.461 16418.800 111.159 -462422.387 56630.182 2.342 2.454 3.065 2.342 2.454 3.065 12750.000 -386983.469 722.729 1474.371 16528.455 116.637 -463183.962 57358.302 2.382 2.488 3.018 2.382 2.488 3.018 13000.000 -385584.292 777.373 1557.513 16461.892 104.947 -461182.504 56696.487 2.397 2.488 3.193 2.397 2.488 3.193 13250.000 -387172.016 720.923 1581.776 16384.073 97.099 -462206.498 56250.611 2.422 2.540 3.156 2.422 2.540 3.156 13500.000 -387863.732 769.848 1524.322 16509.337 116.012 -462193.185 55409.935 2.510 2.620 3.305 2.510 2.620 3.305 13750.000 -385903.251 781.692 1506.420 16598.029 103.899 -461442.050 56548.759 2.599 2.689 3.317 2.599 2.689 3.317 14000.000 -386674.385 732.065 1488.260 16646.204 108.250 -462744.754 57095.591 2.474 2.549 3.231 2.474 2.549 3.231 14250.000 -386360.034 677.077 1461.964 16662.284 104.532 -460747.609 55481.718 2.281 2.406 3.014 2.281 2.406 3.014 14500.000 -386347.250 768.851 1557.616 16508.973 89.255 -461445.432 56173.487 2.629 2.719 3.389 2.629 2.719 3.389 14750.000 -387289.697 762.359 1530.015 16617.279 101.661 -462730.882 56429.871 2.759 2.852 3.445 2.759 2.852 3.445 15000.000 -386635.779 721.339 1577.381 16504.827 170.730 -461761.100 56151.045 2.911 3.008 3.614 2.911 3.008 3.614 15250.000 -386806.218 736.459 1559.846 16592.801 100.044 -462742.590 56947.222 2.583 2.661 3.307 2.583 2.661 3.307 15500.000 -387752.840 757.809 1567.473 16531.817 110.121 -462791.148 56071.089 2.533 2.606 3.186 2.533 2.606 3.186 15750.000 -385895.852 713.240 1565.596 16816.738 108.484 -462033.566 56933.656 2.505 2.586 3.215 2.505 2.586 3.215 16000.000 -387484.076 739.310 1507.283 16644.955 90.751 -463248.849 56782.475 2.445 2.547 3.163 2.445 2.547 3.163 16250.000 -386584.715 686.648 1591.655 16720.693 107.658 -463009.767 57318.398 2.319 2.380 3.056 2.319 2.380 3.056 16500.000 -387544.771 739.528 1594.368 16645.202 94.447 -464036.577 57418.262 2.399 2.494 3.143 2.399 2.494 3.143 16750.000 -386999.502 809.478 1540.394 16559.445 131.418 -462215.886 56175.648 2.408 2.480 3.046 2.408 2.480 3.046 17000.000 -387300.314 692.835 1605.371 16556.236 156.207 -463804.591 57493.629 2.276 2.370 2.848 2.276 2.370 2.848 17250.000 -387478.066 738.456 1584.601 16625.763 91.931 -464274.516 57755.699 2.315 2.419 2.871 2.315 2.419 2.871 17500.000 -387540.735 724.793 1593.501 16491.130 148.231 -462154.506 55656.116 2.393 2.470 2.985 2.393 2.470 2.985 17750.000 -385718.254 790.953 1625.825 16365.516 108.432 -462277.271 57668.291 2.341 2.376 2.983 2.341 2.376 2.983 18000.000 -386529.604 752.480 1561.135 16431.728 130.927 -462596.459 57190.584 2.240 2.324 2.832 2.240 2.324 2.832 18250.000 -386272.156 747.773 1575.971 16580.305 104.837 -463223.258 57942.216 2.327 2.390 2.940 2.327 2.390 2.940 18500.000 -386232.856 710.509 1592.089 16539.079 91.969 -461788.461 56621.959 2.265 2.340 2.872 2.265 2.340 2.872 18750.000 -387178.793 650.039 1526.083 16630.962 147.053 -462271.050 56138.122 2.318 2.399 2.911 2.318 2.399 2.911 19000.000 -387142.559 648.819 1588.378 16475.083 103.375 -463239.185 57280.972 2.331 2.417 2.904 2.331 2.417 2.904 19250.000 -385668.718 691.623 1587.193 16603.447 113.439 -462340.322 57675.902 2.286 2.344 2.894 2.286 2.344 2.894 19500.000 -387048.532 777.388 1590.846 16495.851 118.488 -462317.113 56286.008 2.392 2.463 2.946 2.392 2.463 2.946 19750.000 -386298.039 770.618 1554.536 16439.029 116.390 -462537.438 57358.826 2.396 2.448 3.083 2.396 2.448 3.083 20000.000 -386807.872 769.129 1646.844 16639.357 122.035 -461021.245 55036.009 2.422 2.482 2.997 2.422 2.482 2.997 20250.000 -386850.643 718.293 1603.394 16489.125 122.739 -462373.801 56589.608 2.066 2.126 2.816 2.066 2.126 2.816 20500.000 -387464.527 762.029 1539.418 16494.434 122.682 -463166.053 56782.964 2.235 2.271 3.040 2.235 2.271 3.040 20750.000 -386179.040 723.101 1585.731 16477.689 117.469 -461425.756 56342.726 2.514 2.558 3.365 2.514 2.558 3.365 21000.000 -386863.852 714.959 1536.426 16522.440 137.856 -463188.621 57413.088 2.456 2.529 3.175 2.456 2.529 3.175 21250.000 -387230.551 736.208 1675.039 16413.637 112.460 -461124.792 54956.898 2.386 2.441 3.119 2.386 2.441 3.119 21500.000 -386855.769 697.810 1591.734 16546.501 130.854 -461795.299 55972.631 2.418 2.501 3.139 2.418 2.501 3.139 21750.000 -386706.069 722.934 1479.581 16433.372 125.075 -462975.612 57508.581 2.676 2.777 3.257 2.676 2.777 3.257 22000.000 -386234.405 772.033 1554.049 16554.040 118.970 -461137.830 55904.332 2.631 2.675 3.198 2.631 2.675 3.198 22250.000 -386154.017 740.877 1548.384 16498.325 104.945 -462562.443 57515.895 2.442 2.494 3.045 2.442 2.494 3.045 22500.000 -386768.070 731.010 1504.420 16660.181 126.108 -463195.332 57405.543 2.615 2.660 3.195 2.615 2.660 3.195 22750.000 -386787.754 727.212 1539.188 16606.462 97.866 -462725.737 56967.255 2.449 2.487 3.139 2.449 2.487 3.139 23000.000 -386893.498 737.527 1531.920 16544.742 119.576 -463993.295 58166.033 2.474 2.515 3.130 2.474 2.515 3.130 23250.000 -387307.473 775.705 1506.140 16543.752 102.833 -462343.715 56107.811 2.416 2.477 3.152 2.416 2.477 3.152 23500.000 -386976.113 745.912 1589.409 16405.013 119.507 -462859.335 57023.381 2.455 2.542 3.214 2.455 2.542 3.214 23750.000 -386217.252 801.793 1679.836 16370.840 101.456 -462039.464 56868.286 2.406 2.448 3.143 2.406 2.448 3.143 24000.000 -386820.885 724.440 1546.808 16606.577 116.015 -461907.381 56092.656 2.274 2.321 2.938 2.274 2.321 2.938 24250.000 -387401.188 758.836 1596.198 16383.489 98.887 -463949.281 57710.682 2.574 2.639 3.229 2.574 2.639 3.229 24500.000 -387333.883 736.416 1632.021 16406.707 112.130 -463669.116 57447.960 2.489 2.589 3.160 2.489 2.589 3.160 24750.000 -386547.563 745.004 1576.084 16470.714 106.367 -462804.490 57358.757 2.586 2.652 3.170 2.586 2.652 3.170 25000.000 -386299.339 706.140 1511.091 16608.545 100.181 -461776.457 56551.161 2.504 2.582 3.185 2.504 2.582 3.185 25250.000 -386892.498 787.491 1581.107 16582.869 113.855 -463199.099 57241.280 2.668 2.776 3.427 2.668 2.776 3.427 25500.000 -386119.492 674.825 1664.022 16611.658 100.071 -463395.572 58225.503 2.716 2.841 3.267 2.716 2.841 3.267 25750.000 -386881.866 655.128 1546.873 16554.187 106.418 -462110.442 56365.971 3.210 3.288 3.895 3.210 3.288 3.895 26000.000 -386318.443 745.807 1516.980 16417.956 120.013 -462085.763 56966.564 2.492 2.574 3.088 2.492 2.574 3.088 26250.000 -387158.987 745.008 1601.743 16550.186 93.151 -462910.897 56761.823 2.910 2.959 3.471 2.910 2.959 3.471 26500.000 -387254.944 783.509 1537.574 16574.951 114.084 -462697.011 56431.949 2.770 2.820 3.520 2.770 2.820 3.520 26750.000 -386895.024 785.748 1505.766 16454.922 150.357 -462631.080 56839.262 2.653 2.716 3.262 2.653 2.716 3.262 27000.000 -387037.039 768.776 1541.445 16475.305 119.898 -462421.208 56478.745 2.755 2.799 3.389 2.755 2.799 3.389 27250.000 -386718.763 675.605 1472.688 16537.074 110.959 -463670.818 58155.729 2.613 2.705 3.282 2.613 2.705 3.282 27500.000 -387217.801 694.796 1478.638 16355.421 108.999 -462166.244 56310.587 2.729 2.798 3.345 2.729 2.798 3.345 27750.000 -387006.676 790.797 1523.418 16422.999 148.958 -461990.061 56097.213 2.492 2.590 3.247 2.492 2.590 3.247 28000.000 -386844.651 711.725 1501.739 16550.959 109.751 -463280.682 57561.857 2.373 2.449 3.096 2.373 2.449 3.096 28250.000 -387335.832 712.791 1443.753 16754.756 100.210 -463194.143 56846.802 2.552 2.643 3.307 2.552 2.643 3.307 28500.000 -387479.697 775.811 1506.046 16634.511 112.517 -464037.852 57529.271 2.562 2.662 3.285 2.562 2.662 3.285 28750.000 -385468.072 731.918 1551.806 16575.153 133.070 -461940.985 57480.966 2.497 2.585 3.141 2.497 2.585 3.141 29000.000 -387757.139 778.861 1559.235 16475.685 118.749 -462425.214 55735.544 2.431 2.475 3.088 2.431 2.475 3.088 29250.000 -387662.773 710.368 1510.205 16611.260 126.903 -462812.813 56191.304 2.338 2.410 3.099 2.338 2.410 3.099 29500.000 -386845.101 722.067 1554.051 16583.053 101.790 -461813.030 56006.968 2.547 2.635 3.311 2.547 2.635 3.311 29750.000 -386218.653 730.298 1499.471 16581.676 129.486 -463196.167 58036.583 2.607 2.687 3.361 2.607 2.687 3.361 30000.000 -386635.646 726.244 1686.988 16515.107 90.979 -462442.787 56787.822 2.631 2.731 3.272 2.631 2.731 3.272 30250.000 -386252.280 697.052 1543.511 16560.487 137.138 -462069.389 56878.921 2.387 2.483 3.084 2.387 2.483 3.084 30500.000 -387319.187 716.207 1552.182 16608.992 129.457 -463712.655 57386.630 2.508 2.602 3.200 2.508 2.602 3.200 30750.000 -387021.989 747.618 1419.741 16485.915 120.081 -462333.915 56538.572 2.384 2.458 3.117 2.384 2.458 3.117 31000.000 -386110.011 826.990 1571.490 16541.238 91.045 -462813.869 57673.096 2.723 2.795 3.338 2.723 2.795 3.338 31250.000 -387029.422 750.323 1484.906 16730.833 106.013 -461069.696 54968.199 2.597 2.663 3.280 2.597 2.663 3.280 31500.000 -387079.434 723.002 1580.748 16431.306 118.480 -462937.537 57004.566 2.678 2.771 3.330 2.678 2.771 3.330 31750.000 -387744.181 784.877 1531.791 16659.637 115.246 -462352.792 55517.060 2.849 2.983 3.545 2.849 2.983 3.545 32000.000 -386957.556 763.156 1474.122 16716.395 117.724 -461409.288 55380.334 2.535 2.592 3.156 2.535 2.592 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