id,foldx_SAEM,Tmax_SAEM,Cmax_SAEM,alpha_SAEM,FB_SAEM,beta_SAEM,Ftoci_SAEM,Fster_SAEM,foldx_mean,Tmax_mean,Cmax_mean,alpha_mean,FB_mean,beta_mean,Ftoci_mean,Fster_mean,foldx_sd,Tmax_sd,Cmax_sd,alpha_sd,FB_sd,beta_sd,Ftoci_sd,Fster_sd,STERSTT,TOCI1T,STERST_comed,TOCI1_comed
1,1.27156e+07,10.2513,827026,0.165081,0.00866541,0.00385048,1.30078,0.937065,2.98805e+07,10.3029,965708,0.164494,0.00770673,0.00465786,1.29801,0.93923,1.47565e+08,0.563553,719746,0.159643,0.00678248,0.00466554,0,0,9.587,10.485,1,1
2,2227.45,6.37393,33786.6,0.753066,0.00641135,0.00472646,1.30078,0.937065,21581.5,5.44341,30561.8,0.559748,0.00575701,0.00579451,1.29801,0.93923,123195,0.643676,11703.4,0.18744,0.00273061,0.00725101,0,0,0.108,1.82,1,1
3,35338.7,13.4386,259450,0.107984,0.00820641,0.0052636,1.30078,0.937065,44462.3,13.1329,255120,0.102937,0.0084611,0.00551656,1.29801,0.93923,33547.3,0.840747,124945,0.0512879,0.00495735,0.00675316,0,0,9999,5.474,0,1
4,6160.44,10.5533,210371,0.0923198,0.0107421,0.00435268,1.30078,0.937065,7088.84,10.8273,251326,0.0984832,0.00846251,0.0039568,1.29801,0.93923,5796.29,0.773242,113033,0.0545928,0.00536874,0.00355402,0,0,9999,9999,0,0
5,488076,5.83095,354858,0.40051,0.00321322,0.0066499,1.30078,0.937065,81967.3,5.97353,332584,0.406726,0.00352508,0.00642452,1.29801,0.93923,228690,0.508334,110855,0.0747702,0.00190091,0.00762177,0,0,87.466,9999,1,0
6,2.44567e+06,8.64667,102157,0.209543,0.00678949,0.00447217,1.30078,0.937065,794405,8.5073,117318,0.23183,0.00737848,0.00555064,1.29801,0.93923,4.57247e+06,1.09767,64039.6,0.13565,0.00577576,0.00641606,0,0,9999,9999,0,0
7,59227.3,13.0338,141289,0.111747,0.00281296,0.0144085,1.30078,0.937065,74661.1,12.9885,159083,0.112615,0.0026998,0.0154387,1.29801,0.93923,147358,0.78728,69444.7,0.0150408,0.00177851,0.0150484,0,0,9999,9999,0,0
8,243098,4.54702,307108,0.0602179,0.00650053,0.00468903,1.30078,0.937065,335260,4.68952,333385,0.0689915,0.00772865,0.00462178,1.29801,0.93923,789111,0.557068,78858.5,0.0314941,0.00522481,0.0050412,0,0,9.531,9.017,1,1
9,6787.41,12.4757,196758,0.0980885,0.00541022,0.00593279,1.30078,0.937065,10021.8,12.6117,218904,0.0954807,0.00386521,0.00696725,1.29801,0.93923,25661.7,2.14206,83477.9,0.0229339,0.00224505,0.00652154,0,0,9999,9999,0,0
10,116935,9.59517,105345,0.0410457,0.0092377,0.00560047,1.30078,0.937065,124265,9.7811,101155,0.039368,0.0070913,0.00550703,1.29801,0.93923,360319,1.1497,30625.7,0.0108282,0.00617886,0.00758642,0,0,9999,9999,0,0
11,76077.2,12.6723,593355,0.125797,0.00526177,0.00349043,1.30078,0.937065,2.41198e+06,12.3337,619938,0.122163,0.00563084,0.00462162,1.29801,0.93923,3.01328e+07,1.48575,322327,0.0418443,0.00397482,0.00449021,0,0,9999,9999,0,0
12,7.55308e+08,10.3924,1.24892e+07,0.0233605,0.00745282,0.00453421,1.30078,0.937065,1.07459e+09,10.2919,1.12265e+07,0.0235072,0.00762272,0.00584872,1.29801,0.93923,1.68141e+09,0.256339,3.04462e+06,0.00691217,0.00633275,0.00702341,0,0,5.532,5.105,1,1
13,17473.5,7.90663,154406,0.102806,0.00541428,0.00635841,1.30078,0.937065,15108.6,7.78016,134798,0.0905431,0.00548559,0.00581843,1.29801,0.93923,12637.6,0.426827,38607.7,0.0238448,0.00316326,0.00646511,0,0,4.458,4.038,1,1
14,5.75465e+06,8.20754,136470,0.639999,0.00853804,0.00463798,1.30078,0.937065,1.77682e+06,7.52654,139646,0.544612,0.00671805,0.00452217,1.29801,0.93923,1.16262e+07,1.7104,116611,0.20238,0.00360987,0.00417502,0,0,8.41,6.92,1,1
15,151827,6.04462,2.89703e+06,0.0891286,0.0142771,0.00419572,1.30078,0.937065,883280,6.35084,6.00399e+06,0.214923,0.0251711,0.0036627,1.29801,0.93923,3.84967e+06,1.08028,3.79353e+06,0.128348,0.0147045,0.00329071,0,0,9999,9999,0,0
16,2.29483e+06,12.8328,894086,0.0375631,0.00728911,0.00500044,1.30078,0.937065,3.04606e+06,13.0556,971077,0.042982,0.00781583,0.00502239,1.29801,0.93923,8.55559e+06,1.20141,439939,0.0230872,0.00654168,0.00517628,0,0,9999,9999,0,0
17,208445,6.66345,175798,0.247923,0.00864044,0.00439004,1.30078,0.937065,521195,7.15963,223784,0.292587,0.00813963,0.0039836,1.29801,0.93923,2.68501e+06,1.12042,131953,0.101247,0.00455673,0.00340289,0,0,9999,9999,0,0
18,925.294,9.77639,169907,0.337126,0.00865124,0.0059779,1.30078,0.937065,565.151,9.77221,135183,0.308773,0.00958105,0.00515563,1.29801,0.93923,518.26,0.860855,57136.9,0.132574,0.00488825,0.00489702,0,0,9999,8.494,0,1
19,645384,7.15868,110080,0.215496,0.00327358,0.00470039,1.30078,0.937065,405985,7.27769,107970,0.222032,0.0037522,0.00551923,1.29801,0.93923,955132,0.665861,34559.6,0.0327353,0.00206523,0.00589762,0,0,9999,9999,0,0
20,64909.3,5.37084,40561.5,0.437037,0.00913985,0.00655895,1.30078,0.937065,117971,5.122,42175,0.4313,0.00880004,0.00618485,1.29801,0.93923,514243,0.733007,16995.7,0.142638,0.00366966,0.00246067,0,0,9999,9999,0,0
21,3.45241e+06,6.8504,189058,0.105921,0.0035508,0.00322937,1.30078,0.937065,3.18664e+06,6.98294,190392,0.106279,0.00331794,0.00329936,1.29801,0.93923,1.82277e+07,0.433174,49494.7,0.0152394,0.00140555,0.00172963,0,0,9999,9999,0,0
22,1049.47,14.0053,101457,0.217711,0.0128081,0.00303974,1.30078,0.937065,1647.64,14.3281,125630,0.250661,0.0138072,0.00413999,1.29801,0.93923,4222.52,2.28476,71230.6,0.175384,0.00642452,0.0034609,0,0,9999,9999,0,0
23,181250,12.9039,266286,0.465439,0.00796185,0.00522187,1.30078,0.937065,328105,12.7818,282505,0.428902,0.00684273,0.00421687,1.29801,0.93923,727328,0.693844,139876,0.132672,0.00308244,0.00412505,0,0,9999,9999,0,0
24,374966,15.0117,615033,0.217132,0.00779396,0.00617787,1.30078,0.937065,139624,14.992,250026,0.241849,0.00681029,0.00473374,1.29801,0.93923,379798,1.89938,332022,0.293037,0.00488072,0.00475367,0,0,7.452,6.294,1,1
25,209565,6.71666,415362,0.145221,0.00501786,0.0150276,1.30078,0.937065,17222,7.42012,444477,0.157333,0.00325611,0.00798825,1.29801,0.93923,74298.5,1.69393,161375,0.0352895,0.00213399,0.00851833,0,0,9999,9999,0,0
26,1.74038e+07,15.8899,4.43873e+06,0.0239293,0.00655243,0.00468668,1.30078,0.937065,1.54142e+07,16.2398,5.18131e+06,0.0277449,0.00849628,0.00501811,1.29801,0.93923,1.50946e+07,0.784366,1.6779e+06,0.00986383,0.00707334,0.0046588,0,0,9999,6.824,0,1
27,512915,12.2178,531975,0.0812455,0.00572424,0.00529531,1.30078,0.937065,706405,12.1114,502778,0.0794921,0.00516844,0.00433387,1.29801,0.93923,1.53782e+06,0.926185,223560,0.0229142,0.00266207,0.00425299,0,0,9999,9999,0,0
28,431166,11.3338,59216.1,0.221718,0.00867939,0.00429602,1.30078,0.937065,273227,11.3586,55053.8,0.213033,0.00934581,0.00407577,1.29801,0.93923,744750,0.567323,21107.4,0.091785,0.00548588,0.00386417,0,0,9999,10.849,0,1
29,25910.6,9.64069,52462.6,0.135762,0.00725328,0.00560415,1.30078,0.937065,37334.9,9.89578,61667,0.151462,0.00766083,0.00527319,1.29801,0.93923,73588.6,1.78194,33295.9,0.063457,0.00534412,0.00706167,0,0,9999,9999,0,0
30,3.51568e+06,5.58872,19571.4,0.0876525,0.00616122,0.00548494,1.30078,0.937065,8.70358e+06,5.45851,22907.6,0.10548,0.00754415,0.00747077,1.29801,0.93923,6.3596e+07,0.886425,7842.38,0.0404344,0.00464438,0.00532913,0,0,9999,9999,0,0
31,305953,9.96796,48254,0.31133,0.00362087,0.0199045,1.30078,0.937065,280311,9.84119,49404.5,0.313346,0.00511714,0.024671,1.29801,0.93923,403738,0.562123,15261.2,0.0641408,0.0041572,0.0144639,0,0,142.563,5.063,1,1
32,370263,6.20589,92595.3,0.0882754,0.00334581,0.0153556,1.30078,0.937065,1.75652e+06,6.1208,99672.4,0.0960431,0.00493072,0.0195209,1.29801,0.93923,1.08132e+07,1.40912,38055.6,0.0306446,0.00382746,0.00967205,0,0,9999,6.408,0,1
33,1.09419e+06,8.74465,259604,0.312843,0.00245839,0.00416963,1.30078,0.937065,260570,10.135,217135,0.339861,0.00297364,0.00503103,1.29801,0.93923,1.03538e+06,1.42955,94005,0.0737108,0.00130884,0.00494072,0,0,30.538,16.913,1,1
34,8.50682e+06,18.1515,207114,0.262339,0.0090534,0.00223108,1.30078,0.937065,3.46712e+07,18.3424,199213,0.301051,0.00929094,0.00286544,1.29801,0.93923,2.45187e+08,1.36274,139696,0.140934,0.00610848,0.00232538,0,0,3.527,3.038,1,1
35,827048,8.84161,92772.2,0.337307,0.00514523,0.00361521,1.30078,0.937065,1.06028e+06,9.0697,94750.4,0.346122,0.00497166,0.00382418,1.29801,0.93923,6.43475e+06,1.21156,42227,0.0875621,0.00274846,0.0032432,0,0,9999,9999,0,0
36,1439.86,8.51965,136775,0.637166,0.00367306,0.00882036,1.30078,0.937065,1159.01,7.69642,78274.3,0.431291,0.00594337,0.00636249,1.29801,0.93923,1476.14,1.17831,55030,0.238991,0.00485274,0.00541741,0,0,4.573,3.945,1,1
37,40204.7,9.54499,179249,0.0825037,0.0117492,0.00442919,1.30078,0.937065,46150.7,9.67493,219874,0.101438,0.00812624,0.00328958,1.29801,0.93923,54670.3,0.551293,89874.6,0.0396436,0.00422759,0.00221343,0,0,9999,9999,0,0
38,1.47521e+06,7.49305,439296,0.247091,0.00470054,0.00522821,1.30078,0.937065,1.63944e+06,7.39256,377004,0.233849,0.00528671,0.00507866,1.29801,0.93923,7.46804e+06,0.833528,266649,0.0815554,0.00259031,0.00529025,0,0,9999,9999,0,0
39,1.43883e+06,6.29867,256118,0.0946905,0.00792279,0.0035102,1.30078,0.937065,1.66457e+07,6.14613,240726,0.0882712,0.00816281,0.00470552,1.29801,0.93923,1.42324e+08,0.981515,87188.4,0.0345647,0.00524285,0.00457196,0,0,10.535,9.447,1,1
40,272316,12.1488,106047,0.337675,0.00641887,0.00317493,1.30078,0.937065,431401,12.3033,122634,0.366905,0.00537315,0.00360103,1.29801,0.93923,696797,0.956599,74036,0.113373,0.00411372,0.00264697,0,0,9999,9999,0,0
41,22256.9,7.47469,265603,0.117624,0.00933448,0.00291569,1.30078,0.937065,36927.6,7.49729,293388,0.125252,0.00945695,0.00433615,1.29801,0.93923,79309.7,0.740109,153385,0.0493022,0.00616031,0.00432825,0,0,9999,9999,0,0
42,1.24491e+06,8.37073,180601,0.0747187,0.00708527,0.00435829,1.30078,0.937065,3.23423e+06,8.67215,176417,0.073627,0.00664977,0.00540279,1.29801,0.93923,2.00036e+07,2.3543,75478.4,0.0270207,0.00625796,0.00662415,0,0,9999,23.109,0,1
43,1.91822e+06,7.06873,491381,0.321895,0.00832666,0.00559228,1.30078,0.937065,1.98946e+06,7.028,474282,0.304001,0.00817829,0.00491244,1.29801,0.93923,6.09387e+06,0.41619,226642,0.0915908,0.00605742,0.00327619,0,0,9999,9999,0,0
44,4763.93,9.12785,111106,0.12552,0.0138758,0.00500523,1.30078,0.937065,4250.64,9.5009,127875,0.140117,0.0106098,0.00398321,1.29801,0.93923,10888.6,1.50712,73872.8,0.0783218,0.00586461,0.00305027,0,0,9999,9999,0,0
45,67543.5,12.859,135952,0.0619823,0.00830426,0.00520439,1.30078,0.937065,58757.4,13.4644,159758,0.0698413,0.00770114,0.00540225,1.29801,0.93923,52065.7,1.19175,83392.2,0.0308574,0.00542298,0.00527524,0,0,9999,9999,0,0
46,1.25117e+06,22.3063,184338,0.130736,0.0082439,0.00592269,1.30078,0.937065,844217,21.846,143868,0.108279,0.00819523,0.00482494,1.29801,0.93923,974650,1.62686,116046,0.087573,0.00804893,0.00406494,0,0,4.539,3.994,1,1
47,3.81961e+06,9.37502,255665,0.161119,0.00598054,0.00543362,1.30078,0.937065,3.85794e+06,9.14848,234213,0.1555,0.00843665,0.00563008,1.29801,0.93923,8.46996e+06,1.12646,124574,0.0478564,0.00849767,0.00518928,0,0,9999,9999,0,0
48,1962.27,16.3117,562748,0.186095,0.00764299,0.00328687,1.30078,0.937065,1686.87,15.1673,433226,0.142364,0.0106483,0.00400685,1.29801,0.93923,1965.57,1.86402,238212,0.08145,0.00701193,0.00357452,0,0,9999,9999,0,0
49,245898,9.79057,1.07915e+06,0.220795,0.010059,0.00443906,1.30078,0.937065,239344,9.89524,1.19632e+06,0.22911,0.00872284,0.00429422,1.29801,0.93923,310936,0.601385,782589,0.0739253,0.00481762,0.0036136,0,0,9999,9999,0,0
50,1.56103e+06,6.80405,273023,0.257597,0.0129207,0.00324331,1.30078,0.937065,1.51479e+07,6.65169,274330,0.263161,0.0130282,0.00366587,1.29801,0.93923,1.22041e+08,1.41486,163265,0.169224,0.00641875,0.0031451,0,0,9999,9999,0,0
51,4.94947e+06,11.8914,153924,0.585067,0.00352404,0.0051004,1.30078,0.937065,1.87866e+06,12.2046,131971,0.552346,0.00506054,0.0065428,1.29801,0.93923,5.12263e+06,0.932962,64297.9,0.211712,0.00273321,0.00373597,0,0,174.569,9999,1,0
52,916174,5.83894,63399.3,0.0722881,0.0120147,0.00275785,1.30078,0.937065,579113,6.05096,64196.9,0.0733929,0.0119366,0.00320047,1.29801,0.93923,3.13056e+06,0.526243,16030.2,0.0218127,0.00655047,0.00281225,0,0,13.53,4.981,1,1
53,126511,11.7139,1.02108e+06,0.0773309,0.00894135,0.00464346,1.30078,0.937065,186128,11.967,1.28838e+06,0.122771,0.0119817,0.00377295,1.29801,0.93923,226793,1.00472,683249,0.105653,0.00854167,0.00334701,0,0,6.535,5.621,1,1
54,11496.9,6.20759,91170.3,0.050523,0.00859063,0.00456604,1.30078,0.937065,284758,6.02598,87648.1,0.0507624,0.00792718,0.0048507,1.29801,0.93923,2.09001e+06,0.588337,28107.9,0.0221744,0.0046038,0.00561526,0,0,9999,9999,0,0
55,111415,11.7278,929393,0.133552,0.0041198,0.00623379,1.30078,0.937065,96117.8,11.4613,768222,0.117866,0.00425257,0.00561564,1.29801,0.93923,67120.2,0.860186,355789,0.0438323,0.00241977,0.003962,0,0,5.517,1.028,1,1
56,664904,8.96667,69713.9,0.0521383,0.00703585,0.00441667,1.30078,0.937065,536581,8.9989,71205,0.0621666,0.00777402,0.00414581,1.29801,0.93923,708574,0.715708,20045.5,0.0304114,0.0066213,0.00410007,0,0,9999,4.224,0,1
57,2.45517e+07,7.26261,1.56384e+06,0.0854355,0.00966861,0.00517806,1.30078,0.937065,4.24493e+06,7.33098,1.66729e+06,0.0864296,0.00661165,0.00528055,1.29801,0.93923,2.07139e+07,0.456239,687178,0.0414285,0.00580927,0.00571655,0,0,9999,9999,0,0
58,4739.82,10.2866,402398,0.404727,0.00620667,0.00505909,1.30078,0.937065,4620.46,10.4535,441223,0.440946,0.00545967,0.00603762,1.29801,0.93923,5592.1,0.873163,186651,0.176511,0.00317177,0.00634878,0,0,9999,5.351,0,1
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