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#Frame DPDP[total] DPDP[vdw] DPDP[elec] DPDP[gb] DPDP[bond] DPDP[angle] DPDP[dihedral] DPDP[vdw14] DPDP[elec14] DPDP[surf]
1 -362.4643 -115.9750 -1411.3160 -287.5523 65.3607 131.8731 137.8161 65.0756 1044.0345 8.2191
2 -354.7133 -120.2763 -1395.6827 -291.9428 57.7708 157.4151 132.2196 64.1154 1033.1675 8.5001
3 -370.7565 -125.1295 -1400.7943 -300.7252 65.6276 138.9934 132.4764 63.6082 1046.7778 8.4092
4 -376.7324 -117.7838 -1423.3411 -290.1824 54.0259 147.7710 128.0771 65.6641 1050.8066 8.2300
5 -375.7554 -124.8303 -1392.5554 -307.0641 49.4597 139.9179 129.8075 70.3971 1050.8492 8.2632
6 -386.0375 -118.8866 -1400.8651 -295.0492 49.2628 142.8182 138.1374 61.6022 1028.5830 8.3598
7 -356.8886 -117.6782 -1388.2306 -303.4668 61.8618 150.0429 127.6294 66.5359 1038.1030 8.3141
8 -363.6296 -125.5548 -1387.9611 -293.7736 53.1676 155.3169 137.1281 63.5159 1026.4366 8.0948
9 -371.4302 -120.7442 -1403.4900 -293.0892 62.9546 134.8385 133.8371 63.1068 1043.1964 7.9598
10 -376.8531 -126.2939 -1384.7891 -287.9323 53.8934 142.4284 138.3462 63.0387 1016.3050 8.1505
11 -376.3221 -121.0978 -1407.5259 -293.8726 55.3054 129.9546 127.5286 71.7840 1053.1556 8.4462
12 -354.6716 -114.6492 -1386.1169 -299.0632 53.4129 153.6630 134.3733 56.8265 1038.4127 8.4692
13 -363.8540 -124.1634 -1392.0693 -300.1360 56.2882 148.1127 133.3699 69.4499 1037.1483 8.1457
14 -383.0943 -130.3721 -1412.1513 -293.6105 55.8638 138.2717 130.8474 63.3417 1056.7785 7.9364
15 -373.0024 -127.3972 -1405.9664 -301.0056 56.0693 142.7686 129.0879 65.9910 1059.3338 8.1161
16 -372.2255 -121.9517 -1385.2350 -303.2308 61.3072 133.6336 136.9613 63.5579 1034.4417 8.2903
17 -390.8298 -126.5692 -1406.3273 -306.9232 57.0179 134.0674 131.8413 60.0611 1058.2101 7.7921
18 -388.4135 -129.0991 -1402.6265 -304.2855 55.1195 133.6977 128.8725 68.0979 1054.0128 7.7974
19 -382.3478 -126.7821 -1391.4464 -307.6631 48.6427 145.8739 136.5354 60.0096 1044.3992 8.0830
20 -377.9898 -123.1587 -1419.6001 -290.6263 55.8712 130.1390 145.0579 64.7638 1051.5065 8.0568
21 -366.9266 -126.0537 -1408.3946 -295.6529 54.6986 150.5643 135.5579 65.0243 1049.4507 7.8789
22 -370.3183 -126.4980 -1428.5837 -293.2419 50.9631 145.3701 135.3746 69.0404 1069.2887 7.9684
23 -378.2025 -117.9406 -1433.1884 -261.5259 45.6743 151.0320 129.4612 66.5696 1033.2969 8.4184
24 -374.9478 -124.9557 -1441.5793 -259.8646 53.7975 157.4404 128.4965 63.5865 1039.6832 8.4479
25 -358.4672 -130.1868 -1416.4437 -271.2092 53.6699 161.2282 135.4090 62.9472 1037.7845 8.3336
26 -376.0564 -121.5649 -1414.4782 -273.9034 56.8596 138.6478 123.8937 67.5998 1038.4554 8.4339
27 -380.6136 -115.1863 -1432.7357 -262.1217 48.1485 148.4915 120.2825 66.4896 1037.4989 8.5190
28 -379.3036 -117.4515 -1439.8451 -269.8482 53.4295 142.6836 123.6364 70.5412 1049.4299 8.1205
29 -366.0312 -121.7265 -1437.9017 -262.1843 55.5181 159.9433 130.4472 65.3908 1036.0575 8.4245
30 -363.4711 -114.1851 -1428.8274 -268.0293 56.9507 148.2727 136.9640 64.5306 1032.2292 8.6235
31 -370.3763 -118.3613 -1407.1001 -291.2862 55.2426 152.7345 129.6734 61.4624 1038.9035 8.3549
32 -364.5201 -119.2168 -1407.0315 -286.0545 68.8036 139.0309 135.8712 60.5774 1035.1132 8.3865
33 -370.2562 -107.2154 -1447.7751 -256.9025 55.0902 157.2314 128.2379 63.1669 1029.2673 8.6432
34 -367.0764 -123.2517 -1421.7993 -268.3559 60.3024 145.9796 128.7138 62.6577 1040.1395 8.5376
35 -376.4465 -117.3351 -1428.1273 -263.3880 64.4013 137.0067 131.2024 64.1728 1027.2545 8.3662
36 -378.5088 -114.9366 -1409.9118 -287.7266 57.5792 139.0553 121.2059 64.5424 1043.3918 8.2918
37 -362.1689 -120.7328 -1411.9065 -275.9779 43.2342 163.2659 129.3471 66.9988 1035.3904 8.2119
38 -394.0615 -117.5483 -1417.8981 -271.5389 56.3010 136.3248 125.5547 61.3369 1025.0299 8.3765
39 -368.3368 -117.2665 -1432.1797 -259.4943 54.6186 146.0676 133.9473 68.1487 1029.6384 8.1830
40 -370.9152 -111.1429 -1447.2186 -264.9556 51.5722 148.2079 123.7549 66.5018 1054.1245 8.2407
41 -387.0502 -117.3817 -1416.4135 -275.2917 50.6889 129.3059 130.2035 67.1367 1036.6142 8.0876
42 -393.4039 -122.7493 -1434.6676 -265.1529 52.6693 136.8790 125.7700 61.3937 1044.4173 8.0366
43 -375.3078 -121.4760 -1423.8903 -271.5170 59.3284 141.0120 127.7331 64.0905 1041.2125 8.1990
44 -378.4484 -116.5651 -1413.1831 -278.9913 64.1477 132.7412 123.9140 60.6160 1040.2589 8.6132
45 -373.9150 -119.1632 -1433.7433 -260.3203 62.9612 145.2352 127.9352 63.8549 1031.1785 8.1467
46 -368.7802 -114.2412 -1413.6225 -267.5115 50.8784 148.1046 131.7764 68.9012 1018.4316 8.5029
47 -378.1142 -113.9798 -1406.9894 -273.1535 48.9750 140.1283 135.6558 66.3180 1016.3728 8.5585
48 -372.0898 -106.8784 -1416.3356 -273.8235 55.7936 146.5386 126.8880 65.4379 1022.0638 8.2258
49 -382.4588 -117.5285 -1431.2281 -270.2789 52.1743 148.1726 119.9993 63.9993 1043.7726 8.4587
50 -374.3804 -123.7341 -1418.3191 -273.0608 50.8669 145.3822 130.6027 70.6206 1034.9376 8.3235
51 -382.2494 -124.1527 -1439.5630 -264.0175 50.7098 148.7767 131.4128 65.1048 1041.4194 8.0603
52 -376.1025 -116.9890 -1426.8094 -262.9400 48.9503 141.1495 126.8933 70.1105 1035.5437 7.9886
53 -380.0230 -118.2068 -1421.9356 -271.1504 66.0352 135.9233 126.4001 62.1707 1032.3043 8.4362
54 -377.2588 -116.1368 -1450.8169 -257.3253 58.2409 140.4208 123.6185 63.4404 1052.7573 8.5423
55 -389.5909 -114.5950 -1422.0678 -258.0208 45.7256 133.9326 124.8075 63.3846 1028.8358 8.4066
56 -373.0907 -116.2242 -1409.4890 -268.7254 45.0232 152.7312 132.2321 61.7975 1021.1887 8.3752
57 -385.5173 -116.3758 -1410.9071 -273.1435 61.5508 128.6400 129.2220 60.6586 1026.4236 8.4140
58 -371.9563 -117.4617 -1415.7348 -282.0899 51.5881 148.8700 131.3776 65.5367 1038.1315 7.8262
59 -355.0733 -112.4652 -1448.5702 -256.2883 52.1066 145.8017 129.3593 75.7320 1051.0321 8.2188
60 -391.1765 -125.0242 -1458.3839 -253.6395 47.0066 146.5450 130.8925 67.0668 1046.3681 7.9921
61 -368.0869 -123.1316 -1464.0444 -252.2451 52.8233 153.9279 131.7322 72.8346 1052.1832 7.8330
62 -368.3626 -123.7191 -1455.7643 -248.6275 62.8354 148.7573 130.2542 68.3631 1041.4865 8.0518
63 -380.1849 -115.9329 -1472.2848 -257.1716 51.3219 138.1288 140.7623 66.9722 1060.0673 7.9519
64 -363.6933 -122.5901 -1453.1786 -257.3609 59.8338 161.8989 129.0898 67.2989 1043.0931 8.2217
65 -368.4548 -115.3097 -1416.5832 -267.0532 60.8597 132.6889 138.9629 62.9829 1026.5155 8.4812
66 -352.0178 -113.6297 -1402.5460 -280.2801 58.1670 161.1825 132.5889 62.2109 1021.8496 8.4393
67 -363.2221 -122.9298 -1441.3248 -270.4562 61.8273 152.2172 129.6724 67.4160 1051.9976 8.3580
68 -367.5860 -121.0232 -1454.7442 -262.6632 51.4962 154.6757 133.5684 70.3259 1052.4616 8.3168
69 -357.8827 -121.9480 -1410.4928 -271.5078 57.7934 155.7785 128.4284 66.8225 1028.8313 8.4117
70 -367.8356 -109.5185 -1421.5308 -272.5254 52.8359 155.8594 129.5950 63.6450 1025.2439 8.5599
71 -366.0618 -118.9269 -1439.8751 -261.0163 55.4747 155.6609 133.4205 67.2478 1033.7277 8.2249
72 -389.4186 -117.7716 -1464.0601 -261.1231 49.8372 140.3799 133.5556 70.0932 1051.7516 7.9187
73 -363.8590 -113.0715 -1463.5413 -253.7205 54.5397 165.1839 134.3611 67.7878 1036.6233 7.9785
74 -374.6770 -114.9592 -1452.8439 -256.3253 54.8214 141.0952 136.9512 71.7555 1036.5729 8.2552
75 -367.2931 -111.1491 -1415.5370 -264.8998 51.5715 140.0358 140.0528 61.8973 1022.1398 8.5956
76 -367.3162 -118.7760 -1415.7138 -274.7721 54.3608 149.2484 133.7374 61.4951 1034.5136 8.5903
77 -358.7523 -118.9986 -1402.6975 -270.8033 54.3523 149.7298 132.1509 69.2076 1019.4421 8.8644
78 -377.0844 -110.4151 -1438.5668 -273.1425 58.5123 127.5527 128.4062 67.3295 1054.4361 8.8033
79 -355.6102 -116.0379 -1401.2530 -283.4225 54.3895 150.9465 128.6645 66.6828 1035.5120 8.9079
80 -361.7800 -121.9232 -1420.3024 -269.7711 59.6984 139.0770 128.1482 71.4438 1043.1037 8.7455
81 -370.6686 -119.5903 -1469.9454 -248.3223 45.5449 151.0672 141.1353 70.0242 1051.4878 7.9300
82 -372.5900 -117.4761 -1470.8420 -247.4308 53.9646 148.9218 137.5275 63.9726 1050.8411 7.9313
83 -380.4700 -117.8260 -1466.0470 -255.9645 53.5226 142.6006 128.7139 67.1750 1059.6078 7.7476
84 -377.9793 -120.0374 -1469.8117 -249.9507 60.0146 141.6374 135.9863 64.9176 1051.4315 7.8332
85 -367.1218 -117.0585 -1429.4364 -267.7536 55.8165 133.8010 128.1641 72.1625 1048.6404 8.5422
86 -380.0461 -122.4332 -1423.4387 -277.1170 53.9440 134.6349 125.4270 66.8982 1054.1378 7.9008
87 -370.5684 -118.4841 -1429.4130 -264.9334 55.1776 152.8731 130.1709 61.6216 1033.9393 8.4795
88 -381.2341 -121.6610 -1435.7617 -272.5491 45.1885 141.0867 133.1488 62.9821 1057.9098 8.4217
89 -371.3474 -121.5331 -1432.4442 -260.8950 61.9128 148.1307 126.5855 65.9900 1032.6615 8.2444
90 -363.0489 -124.5014 -1446.9778 -265.4388 58.5486 143.4168 137.8979 63.0533 1062.6902 8.2623
91 -373.6656 -120.8279 -1419.8704 -289.8998 56.7858 137.8859 142.2930 66.6924 1044.8802 8.3952
92 -360.7605 -111.8257 -1420.3826 -282.0560 52.8064 155.7915 139.1678 61.8681 1035.3877 8.4822
93 -379.0545 -122.0914 -1455.7467 -264.3086 46.5512 150.4214 130.0005 66.5813 1061.4933 8.0445
94 -370.7147 -120.2698 -1434.5957 -265.1000 66.7132 142.4756 125.9836 61.8797 1043.9843 8.2144
95 -382.0758 -119.3685 -1442.8550 -262.4411 50.3559 143.6346 135.3945 65.0683 1039.7894 8.3461
96 -369.5503 -116.6821 -1451.2536 -262.5810 58.0142 138.3254 135.6859 69.4420 1051.1832 8.3156
97 -380.6129 -117.9805 -1452.5876 -271.3628 49.1514 139.9584 133.2247 69.3901 1061.3456 8.2479
98 -378.5077 -116.2311 -1448.1226 -262.5902 46.4559 145.6981 132.6970 66.3574 1049.0884 8.1394
99 -381.9224 -107.6384 -1418.5997 -284.4703 63.7698 129.1249 126.9622 60.8390 1040.0153 8.0748
100 -383.6505 -115.2943 -1436.1385 -274.2312 57.1866 132.5138 128.6483 65.1466 1050.2714 8.2469
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