____Time[ps] Energy[ kJ/mol ]_____Bond _______Angle ____Dihedral ___Planarity _____Coulomb _________VdW RMSDs-001:CA ____Backbone __HeavyAtoms RMSDs-AVR:CA ____Backbone __HeavyAtoms 0.000 -491574.002 189.129 562.067 13004.050 22.422 -594992.873 89641.202 0.574 0.679 0.850 0.574 0.679 0.850 250.000 -397990.506 782.284 1624.167 13021.755 102.350 -471841.484 58320.421 1.989 2.112 2.676 1.989 2.112 2.676 500.000 -399173.072 895.549 1619.366 12905.244 101.879 -472660.265 57965.154 1.864 1.956 2.504 1.864 1.956 2.504 750.000 -399618.573 762.530 1614.883 12997.820 96.853 -473974.994 58884.335 2.158 2.205 2.802 2.158 2.205 2.802 1000.000 -399043.945 748.168 1674.799 12895.857 104.278 -471828.232 57361.185 2.173 2.216 2.807 2.173 2.216 2.807 1250.000 -399225.845 789.793 1617.853 12919.387 111.206 -474483.722 59819.639 2.195 2.292 2.856 2.195 2.292 2.856 1500.000 -397559.276 822.945 1586.261 13024.355 127.166 -472814.883 59694.880 2.070 2.176 2.588 2.070 2.176 2.588 1750.000 -398949.634 788.362 1508.482 13154.277 130.069 -472456.816 57925.991 2.205 2.305 2.851 2.205 2.305 2.851 2000.000 -399189.532 782.570 1663.380 12945.636 110.046 -473494.923 58803.760 2.124 2.247 2.787 2.124 2.247 2.787 2250.000 -399158.479 770.473 1596.229 13043.338 114.092 -473210.780 58528.168 2.067 2.111 2.744 2.067 2.111 2.744 2500.000 -398553.312 736.931 1662.901 12887.887 129.784 -473169.990 59199.175 2.033 2.093 2.611 2.033 2.093 2.611 2750.000 -398635.519 762.487 1461.701 13050.862 114.211 -472001.756 57976.976 2.102 2.162 2.895 2.102 2.162 2.895 3000.000 -398993.790 756.457 1547.683 13042.993 114.288 -473995.927 59540.717 2.198 2.287 2.901 2.198 2.287 2.901 3250.000 -398716.811 808.963 1665.081 12888.007 113.944 -472836.533 58643.727 2.151 2.196 2.645 2.151 2.196 2.645 3500.000 -400122.126 768.811 1564.176 12816.989 124.280 -473487.205 58090.823 2.009 2.081 2.794 2.009 2.081 2.794 3750.000 -398423.244 717.980 1624.600 12902.444 114.389 -471680.102 57897.444 2.122 2.199 2.917 2.122 2.199 2.917 4000.000 -399303.672 747.908 1602.207 12888.553 120.670 -472874.053 58211.043 2.288 2.340 3.113 2.288 2.340 3.113 4250.000 -399689.634 781.672 1592.014 12894.053 129.763 -473038.187 57951.051 2.575 2.680 3.321 2.575 2.680 3.321 4500.000 -399066.529 757.962 1659.326 12764.229 87.278 -473757.576 59422.252 2.597 2.681 3.392 2.597 2.681 3.392 4750.000 -398074.418 773.971 1577.215 12860.471 124.188 -472480.518 59070.255 2.264 2.300 3.154 2.264 2.300 3.154 5000.000 -398848.390 759.077 1567.183 12912.489 108.446 -472588.621 58393.037 2.569 2.653 3.262 2.569 2.653 3.262 5250.000 -399158.444 703.328 1597.907 12909.009 122.821 -473551.869 59060.361 2.670 2.791 3.454 2.670 2.791 3.454 5500.000 -399520.341 726.859 1598.300 13109.827 121.183 -473472.424 58395.913 2.652 2.715 3.566 2.652 2.715 3.566 5750.000 -399707.631 865.572 1584.274 12865.288 120.849 -472888.216 57744.602 2.699 2.750 3.505 2.699 2.750 3.505 6000.000 -399103.863 798.794 1582.916 13042.085 137.543 -471503.024 56837.825 2.903 2.947 3.745 2.903 2.947 3.745 6250.000 -400248.744 786.555 1539.370 13002.018 124.739 -473228.455 57527.029 2.730 2.789 3.696 2.730 2.789 3.696 6500.000 -398794.659 719.531 1572.344 12966.858 107.506 -473770.125 59609.227 2.759 2.848 3.661 2.759 2.848 3.661 6750.000 -399457.120 806.656 1479.059 12986.838 118.305 -473361.964 58513.986 2.509 2.580 3.425 2.509 2.580 3.425 7000.000 -398425.534 700.542 1574.841 13032.452 114.633 -472751.525 58903.522 2.463 2.560 3.434 2.463 2.560 3.434 7250.000 -399294.747 697.935 1558.342 13038.664 145.923 -472773.847 58038.235 2.534 2.572 3.544 2.534 2.572 3.544 7500.000 -399459.259 732.728 1595.995 12926.556 86.192 -472190.599 57389.870 2.406 2.455 3.376 2.406 2.455 3.376 7750.000 -399147.867 699.026 1596.330 12995.049 114.708 -471950.121 57397.142 2.596 2.706 3.444 2.596 2.706 3.444 8000.000 -399612.183 770.827 1568.897 12999.673 98.124 -474033.136 58983.432 2.561 2.604 3.383 2.561 2.604 3.383 8250.000 -399118.976 815.614 1579.627 12937.125 132.061 -472587.214 58003.811 2.604 2.700 3.540 2.604 2.700 3.540 8500.000 -399467.271 802.660 1635.005 12854.360 136.393 -472945.955 58050.267 2.772 2.849 3.448 2.772 2.849 3.448 8750.000 -399877.475 750.196 1608.883 13082.173 110.238 -472186.387 56757.422 2.639 2.683 3.270 2.639 2.683 3.270 9000.000 -399038.117 749.208 1565.707 12979.278 135.048 -472465.336 57997.978 2.502 2.558 3.354 2.502 2.558 3.354 9250.000 -399839.879 770.335 1573.857 12887.883 118.806 -474376.287 59185.526 2.531 2.621 3.475 2.531 2.621 3.475 9500.000 -399940.080 827.228 1583.394 12846.455 128.455 -472627.100 57301.487 2.465 2.550 3.366 2.465 2.550 3.366 9750.000 -398972.572 790.164 1579.373 12955.857 120.790 -473394.721 58975.965 2.393 2.480 3.247 2.393 2.480 3.247 10000.000 -399611.582 871.497 1601.929 12890.049 102.717 -471753.384 56675.610 2.960 3.078 3.819 2.960 3.078 3.819 10250.000 -399156.633 821.106 1547.898 13069.148 137.502 -473323.772 58591.484 2.479 2.546 3.479 2.479 2.546 3.479 10500.000 -399420.549 744.122 1602.312 13096.818 101.942 -472082.441 57116.698 2.648 2.696 3.536 2.648 2.696 3.536 10750.000 -400336.605 820.277 1607.939 12898.134 93.779 -473697.302 57940.568 2.874 2.921 3.691 2.874 2.921 3.691 11000.000 -398701.689 708.287 1667.154 12936.983 124.599 -472796.483 58657.769 2.400 2.464 3.361 2.400 2.464 3.361 11250.000 -399817.905 808.699 1665.620 12936.853 118.503 -473540.474 58192.894 2.599 2.675 3.577 2.599 2.675 3.577 11500.000 -398192.280 752.259 1570.257 13171.579 131.364 -473562.057 59744.319 2.985 3.098 3.872 2.985 3.098 3.872 11750.000 -400132.106 817.729 1555.593 12898.955 113.319 -473130.319 57612.617 2.702 2.780 3.651 2.702 2.780 3.651 12000.000 -398893.523 725.447 1514.079 13006.708 132.892 -472675.887 58403.238 2.394 2.460 3.268 2.394 2.460 3.268 12250.000 -398880.379 714.005 1605.872 12939.399 159.005 -475539.160 61240.500 2.718 2.771 3.629 2.718 2.771 3.629 12500.000 -399961.055 729.837 1600.587 13085.300 86.929 -474122.414 58658.704 3.181 3.258 3.911 3.181 3.258 3.911 12750.000 -399214.143 703.675 1445.339 13250.604 107.881 -472661.261 57939.620 2.713 2.831 3.552 2.713 2.831 3.552 13000.000 -399281.911 727.193 1521.707 13155.680 115.845 -472952.379 58150.044 2.407 2.495 3.300 2.407 2.495 3.300 13250.000 -398879.279 822.926 1587.851 13070.453 111.368 -472697.948 58226.070 2.152 2.264 2.990 2.152 2.264 2.990 13500.000 -398750.575 782.413 1598.043 13182.170 110.973 -473456.148 59031.975 2.827 2.913 3.544 2.827 2.913 3.544 13750.000 -399473.406 740.845 1619.699 13112.612 119.204 -473040.196 57974.431 2.631 2.704 3.445 2.631 2.704 3.445 14000.000 -399098.084 773.132 1472.740 13095.106 103.269 -473084.482 58542.152 2.578 2.641 3.487 2.578 2.641 3.487 14250.000 -398966.905 693.014 1421.801 13048.314 112.429 -472188.820 57946.356 2.381 2.405 3.257 2.381 2.405 3.257 14500.000 -399031.963 754.865 1561.021 13214.594 131.689 -473738.302 59044.171 2.513 2.565 3.329 2.513 2.565 3.329 14750.000 -398977.127 821.231 1467.105 13220.486 129.887 -471995.061 57379.226 2.476 2.519 3.279 2.476 2.519 3.279 15000.000 -399149.937 682.878 1501.554 13231.420 93.245 -474097.299 59438.264 2.243 2.305 3.180 2.243 2.305 3.180 15250.000 -399213.483 795.385 1503.639 13166.475 114.962 -473085.349 58291.405 2.580 2.611 3.530 2.580 2.611 3.530 15500.000 -398179.231 699.834 1614.304 12956.254 116.325 -472097.687 58531.740 2.346 2.413 3.150 2.346 2.413 3.150 15750.000 -398934.603 780.406 1470.108 13181.821 136.592 -473474.549 58971.019 2.453 2.530 3.207 2.453 2.530 3.207 16000.000 -398917.148 750.699 1501.113 13153.943 141.659 -472539.714 58075.150 2.560 2.649 3.311 2.560 2.649 3.311 16250.000 -399421.852 822.153 1510.257 13187.930 122.664 -472435.063 57370.207 2.451 2.485 3.243 2.451 2.485 3.243 16500.000 -399895.545 800.074 1561.971 13153.164 112.973 -473451.937 57928.212 2.313 2.382 3.201 2.313 2.382 3.201 16750.000 -400516.581 791.717 1618.466 13043.293 99.167 -474925.338 58856.114 2.454 2.532 3.294 2.454 2.532 3.294 17000.000 -399155.500 744.800 1576.541 13046.981 114.258 -473045.412 58407.331 2.526 2.564 3.406 2.526 2.564 3.406 17250.000 -398979.095 746.025 1602.833 13078.727 121.094 -473287.426 58759.652 2.421 2.506 3.223 2.421 2.506 3.223 17500.000 -399828.332 722.091 1493.403 13279.757 117.041 -473654.185 58213.561 2.393 2.436 3.237 2.393 2.436 3.237 17750.000 -399604.547 815.041 1545.676 13299.451 125.211 -473477.614 58087.687 2.397 2.440 3.287 2.397 2.440 3.287 18000.000 -399090.951 757.146 1552.010 12981.617 110.695 -472990.820 58498.401 2.446 2.552 3.314 2.446 2.552 3.314 18250.000 -399945.291 692.929 1503.275 13058.486 121.464 -473386.714 58065.270 2.664 2.718 3.550 2.664 2.718 3.550 18500.000 -399436.719 898.726 1544.687 13129.857 128.710 -473176.262 58037.563 2.678 2.723 3.512 2.678 2.723 3.512 18750.000 -399863.095 789.738 1618.661 13134.321 112.187 -473569.816 58051.815 2.301 2.362 3.165 2.301 2.362 3.165 19000.000 -399482.564 704.913 1533.359 13047.159 123.403 -472085.784 57194.386 2.581 2.633 3.420 2.581 2.633 3.420 19250.000 -398992.563 794.966 1574.843 12962.784 104.123 -471788.821 57359.543 2.707 2.747 3.444 2.707 2.747 3.444 19500.000 -398971.892 781.845 1487.093 13227.725 130.447 -472265.309 57666.308 2.509 2.584 3.293 2.509 2.584 3.293 19750.000 -399357.296 785.884 1586.210 12975.356 106.526 -473111.494 58300.222 2.241 2.318 3.049 2.241 2.318 3.049 20000.000 -399525.747 808.534 1535.563 13085.950 109.963 -472826.964 57761.207 2.305 2.351 3.181 2.305 2.351 3.181 20250.000 -399305.764 791.459 1628.789 13074.468 93.840 -471536.669 56642.349 2.566 2.576 3.419 2.566 2.576 3.419 20500.000 -399842.929 647.419 1536.874 13180.455 103.497 -473449.709 58138.536 2.411 2.439 3.256 2.411 2.439 3.256 20750.000 -399532.148 737.539 1499.648 13370.679 118.023 -474330.546 59072.508 2.284 2.392 3.199 2.284 2.392 3.199 21000.000 -398663.423 668.633 1616.845 13165.468 131.085 -472870.551 58625.096 2.574 2.612 3.417 2.574 2.612 3.417 21250.000 -398957.515 825.976 1516.238 13043.824 110.931 -472528.159 58073.675 2.715 2.798 3.367 2.715 2.798 3.367 21500.000 -399675.230 724.055 1544.342 13124.869 123.383 -473738.777 58546.898 2.459 2.530 3.108 2.459 2.530 3.108 21750.000 -398781.626 738.897 1510.553 13189.210 130.315 -473569.425 59218.824 2.472 2.546 3.285 2.472 2.546 3.285 22000.000 -399198.317 806.941 1564.015 13083.929 126.914 -472050.850 57270.734 2.562 2.647 3.396 2.562 2.647 3.396 22250.000 -399261.997 697.351 1481.121 13141.916 129.861 -474076.090 59363.844 2.510 2.543 3.325 2.510 2.543 3.325 22500.000 -399335.718 761.390 1559.986 13221.791 99.951 -472841.851 57863.015 2.618 2.692 3.451 2.618 2.692 3.451 22750.000 -399437.071 813.830 1492.928 13064.281 123.898 -473087.889 58155.880 2.427 2.496 3.261 2.427 2.496 3.261 23000.000 -398880.687 747.130 1497.392 13095.317 94.595 -472657.710 58342.589 2.425 2.489 3.326 2.425 2.489 3.326 23250.000 -399387.357 795.245 1550.727 13142.427 101.792 -472946.021 57968.474 2.582 2.654 3.538 2.582 2.654 3.538 23500.000 -399795.591 718.163 1515.813 13348.957 103.691 -473444.533 57962.318 2.894 2.977 3.604 2.894 2.977 3.604 23750.000 -398537.758 753.758 1630.224 13080.007 121.743 -473198.351 59074.861 2.511 2.590 3.467 2.511 2.590 3.467 24000.000 -397844.213 768.505 1515.568 13030.562 112.967 -471463.258 58191.443 2.280 2.379 3.131 2.280 2.379 3.131 24250.000 -399349.863 770.401 1636.775 13056.495 134.957 -472747.358 57798.866 2.339 2.464 3.034 2.339 2.464 3.034 24500.000 -398794.854 765.570 1521.252 13257.187 99.956 -473244.782 58805.961 2.359 2.481 3.129 2.359 2.481 3.129 24750.000 -399433.900 803.258 1589.056 13152.726 147.978 -474144.707 59017.790 2.033 2.090 2.952 2.033 2.090 2.952 25000.000 -398952.754 735.763 1447.754 13263.200 140.612 -472761.419 58221.337 2.316 2.397 3.112 2.316 2.397 3.112 25250.000 -399806.160 766.668 1647.232 13135.513 113.124 -474005.210 58536.514 2.439 2.504 3.178 2.439 2.504 3.178 25500.000 -399137.402 730.926 1578.035 13189.358 101.736 -472897.605 58160.148 2.450 2.516 3.152 2.450 2.516 3.152 25750.000 -399785.377 827.701 1510.950 13142.147 134.338 -473573.593 58173.080 2.255 2.319 3.085 2.255 2.319 3.085 26000.000 -398710.213 733.145 1645.037 13106.290 102.202 -472876.265 58579.378 2.302 2.349 3.134 2.302 2.349 3.134 26250.000 -398687.369 697.288 1604.911 13185.024 106.333 -471762.972 57482.048 2.494 2.561 3.273 2.494 2.561 3.273 26500.000 -399785.556 751.527 1597.975 13039.165 114.835 -473777.294 58488.236 2.421 2.460 3.227 2.421 2.460 3.227 26750.000 -399749.097 773.659 1601.195 13055.882 107.624 -473632.195 58344.738 2.257 2.293 3.016 2.257 2.293 3.016 27000.000 -399088.192 710.383 1447.653 13200.403 152.512 -473657.239 59058.096 2.263 2.336 3.028 2.263 2.336 3.028 27250.000 -397962.882 691.733 1646.050 13019.505 122.467 -471187.210 57744.574 2.380 2.419 3.158 2.380 2.419 3.158 27500.000 -400171.698 732.602 1572.478 13142.302 124.163 -473465.110 57721.866 2.370 2.445 3.261 2.370 2.445 3.261 27750.000 -398744.295 788.963 1610.597 13190.857 109.524 -474191.408 59747.172 2.589 2.702 3.270 2.589 2.702 3.270 28000.000 -399823.292 771.547 1591.713 13111.596 128.974 -473077.506 57650.383 2.330 2.433 3.067 2.330 2.433 3.067 28250.000 -398870.313 772.762 1568.777 13215.809 124.519 -471580.708 57028.528 2.457 2.493 3.147 2.457 2.493 3.147 28500.000 -399915.825 777.460 1476.966 13164.004 123.837 -471973.883 56515.792 2.452 2.489 3.331 2.452 2.489 3.331 28750.000 -398506.806 788.093 1531.629 13156.537 112.372 -472185.981 58090.545 2.635 2.755 3.421 2.635 2.755 3.421 29000.000 -399090.701 749.204 1564.632 13169.851 119.265 -474991.567 60297.913 2.638 2.733 3.346 2.638 2.733 3.346 29250.000 -399318.286 740.379 1485.240 13176.801 99.587 -473472.150 58651.857 2.390 2.487 3.164 2.390 2.487 3.164 29500.000 -400041.594 810.181 1528.185 13011.121 120.754 -473163.395 57651.560 2.355 2.428 3.254 2.355 2.428 3.254 29750.000 -398950.041 811.969 1623.364 13040.888 105.124 -472433.065 57901.680 2.545 2.624 3.484 2.545 2.624 3.484 30000.000 -399489.191 757.618 1494.234 13071.839 132.941 -472939.140 57993.317 2.774 2.836 3.481 2.774 2.836 3.481 30250.000 -399182.501 793.431 1590.257 12956.625 128.016 -471836.879 57186.049 2.719 2.794 3.364 2.719 2.794 3.364 30500.000 -400038.089 755.913 1590.316 13071.807 143.468 -473314.703 57715.111 2.805 2.924 3.523 2.805 2.924 3.523 30750.000 -398990.640 756.196 1517.768 12913.745 125.280 -470459.352 56155.724 2.653 2.720 3.358 2.653 2.720 3.358 31000.000 -398469.801 706.558 1623.774 13046.934 99.897 -473577.116 59630.152 2.722 2.805 3.421 2.722 2.805 3.421 31250.000 -398826.867 727.341 1602.853 13075.242 110.858 -473176.601 58833.441 2.923 2.998 3.528 2.923 2.998 3.528 31500.000 -399351.576 788.204 1521.758 12960.739 98.354 -473049.626 58328.994 2.855 2.910 3.577 2.855 2.910 3.577 31750.000 -398737.776 768.092 1493.893 12948.313 107.649 -472734.512 58678.790 2.879 2.997 3.544 2.879 2.997 3.544 32000.000 -398818.280 753.536 1540.845 13047.574 125.789 -472763.831 58477.806 2.635 2.764 3.330 2.635 2.764 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