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
1,2.5804e+07,10.4024,931479,0.201064,0.00818432,0.00765046,1.24863,1.041,1.56295e+07,10.3225,921425,0.165578,0.00814977,0.00761977,1.2536,1.03605,7.44324e+07,0.545921,572589,0.147991,0.00457654,0.0114194,0,0,9.587,10.485,1,1
2,704.769,5.90672,17056.7,0.428469,0.0073401,0.00803215,1.24863,1.041,1296.89,6.05165,18536.6,0.560624,0.0091558,0.00745836,1.2536,1.03605,4782.92,1.12008,8004.5,0.289997,0.00463079,0.00695317,0,0,0.108,1.82,1,1
3,45850.2,13.0276,280027,0.085505,0.00659484,0.00533352,1.24863,1.041,51386.1,13.0356,286315,0.0950498,0.00864052,0.00576786,1.2536,1.03605,37708.3,0.884257,109313,0.037894,0.00637873,0.00418968,0,0,9999,5.474,0,1
4,7974.71,10.7686,259973,0.116432,0.00843847,0.00584617,1.24863,1.041,8819.98,10.9262,276222,0.119522,0.0103963,0.00587484,1.2536,1.03605,7635.29,0.6812,119805,0.0681183,0.00544897,0.00618742,0,0,9999,9999,0,0
5,32135.8,5.95349,324794,0.413218,0.00427896,0.0104164,1.24863,1.041,768986,5.56559,370270,0.391409,0.00368333,0.00887595,1.2536,1.03605,1.97711e+06,0.662288,152699,0.0744793,0.00187923,0.00882516,0,0,87.466,9999,1,0
6,1.08981e+06,8.5365,119707,0.220489,0.00620858,0.00901929,1.24863,1.041,1.16513e+06,8.79318,136558,0.249224,0.00827982,0.00792456,1.2536,1.03605,6.87136e+06,0.749213,85728.9,0.130615,0.00506116,0.00942192,0,0,9999,9999,0,0
7,61595.1,13.2329,162784,0.113745,0.00328925,0.0196688,1.24863,1.041,41215.5,13.1027,149591,0.111275,0.00431795,0.0257108,1.2536,1.03605,51225,0.677358,51089.6,0.0122844,0.00272275,0.0215854,0,0,9999,9999,0,0
8,222840,4.71589,354270,0.0757773,0.00742671,0.00619499,1.24863,1.041,397436,4.69509,348410,0.0708384,0.00760225,0.00561739,1.2536,1.03605,736424,0.522564,86060.1,0.0302999,0.00485445,0.00555019,0,0,9.531,9.017,1,1
9,5369.92,13.3464,250610,0.106381,0.00620632,0.0124453,1.24863,1.041,9353.88,12.5231,215230,0.10202,0.00567743,0.00926105,1.2536,1.03605,23921.7,2.24412,89603.3,0.0294199,0.00373118,0.00895889,0,0,9999,9999,0,0
10,56130.7,10.0343,104537,0.0413812,0.00747658,0.007721,1.24863,1.041,64093.7,10.032,102463,0.0418411,0.00828965,0.0054415,1.2536,1.03605,124481,1.14692,27965,0.0102445,0.005434,0.00498312,0,0,9999,9999,0,0
11,50898.6,12.763,625266,0.129857,0.00771206,0.00746046,1.24863,1.041,268555,12.5649,614168,0.124229,0.00637124,0.00736593,1.2536,1.03605,2.07074e+06,1.53712,365573,0.0535529,0.00395384,0.0115909,0,0,9999,9999,0,0
12,4.81878e+08,10.3259,7.38971e+06,0.0262725,0.00932767,0.00673106,1.24863,1.041,3.71894e+08,10.3398,7.24327e+06,0.0260047,0.00849495,0.00678282,1.2536,1.03605,4.29654e+08,0.296286,2.74378e+06,0.0130338,0.00582353,0.00647847,0,0,5.532,5.105,1,1
13,7386.28,7.73645,101097,0.0863359,0.00680981,0.00727634,1.24863,1.041,9627.56,7.78395,112186,0.0914582,0.00581876,0.00700337,1.2536,1.03605,5778.52,0.423289,30857.9,0.0240151,0.00358358,0.00570846,0,0,4.458,4.038,1,1
14,3.53304e+06,8.92052,105183,0.708398,0.00739582,0.00670168,1.24863,1.041,2.40905e+06,7.28472,165693,0.547389,0.00697842,0.0069332,1.2536,1.03605,9.4134e+06,1.52153,119243,0.198278,0.003766,0.00609915,0,0,8.41,6.92,1,1
15,74069.2,7.51122,9.81075e+06,0.354,0.0237807,0.00300813,1.24863,1.041,1.34713e+06,6.8329,8.95456e+06,0.297252,0.027858,0.0038184,1.2536,1.03605,6.74936e+06,1.08357,4.07959e+06,0.102991,0.0141042,0.00210161,0,0,9999,9999,0,0
16,2.30293e+06,12.6283,828433,0.033914,0.00895976,0.00703325,1.24863,1.041,3.65534e+06,12.8096,886854,0.0427842,0.00801157,0.0061084,1.2536,1.03605,8.67654e+06,0.982675,336113,0.0220873,0.00491232,0.00680474,0,0,9999,9999,0,0
17,98854,7.77504,231936,0.329581,0.00872773,0.0060051,1.24863,1.041,74913.7,7.67761,246902,0.33208,0.00785881,0.00555015,1.2536,1.03605,114578,0.865691,123232,0.107874,0.00381334,0.0056916,0,0,9999,9999,0,0
18,874.751,10.0691,182399,0.417545,0.0111095,0.00723404,1.24863,1.041,525.874,9.73267,123574,0.289953,0.0115829,0.006698,1.2536,1.03605,468.035,0.699834,48163.7,0.13292,0.00480354,0.00478129,0,0,9999,8.494,0,1
19,1.07098e+06,6.93111,109215,0.222767,0.00597467,0.0114812,1.24863,1.041,514417,7.28759,100361,0.219404,0.00449168,0.00757448,1.2536,1.03605,2.07874e+06,0.789935,32938.6,0.0376759,0.00214019,0.00603604,0,0,9999,9999,0,0
20,22955.9,5.55044,41199.7,0.452687,0.00923666,0.00659388,1.24863,1.041,111796,5.18863,44618,0.44457,0.00802067,0.00622408,1.2536,1.03605,447696,0.712278,19902.7,0.20222,0.00252548,0.00187145,0,0,9999,9999,0,0
21,863365,7.01074,195941,0.108979,0.00334864,0.00310816,1.24863,1.041,5.75535e+06,6.96718,188811,0.10598,0.00369972,0.00370419,1.2536,1.03605,3.50155e+07,0.275358,40234.6,0.0130837,0.00158304,0.00152165,0,0,9999,9999,0,0
22,1402.6,14.9249,132482,0.264213,0.0157513,0.00488851,1.24863,1.041,1725.52,14.6125,139744,0.257244,0.0143612,0.00470708,1.2536,1.03605,2381.45,1.85587,73653.8,0.10827,0.00710033,0.00327402,0,0,9999,9999,0,0
23,289134,12.8522,272609,0.42976,0.00660243,0.004686,1.24863,1.041,223142,12.7517,253929,0.426394,0.0084366,0.00548875,1.2536,1.03605,415845,0.663213,98600,0.118588,0.00389577,0.00533478,0,0,9999,9999,0,0
24,87747.1,14.8869,226286,0.279763,0.00792183,0.00674495,1.24863,1.041,51655,13.8384,108273,0.190488,0.00785109,0.00737389,1.2536,1.03605,66250.7,2.09197,108673,0.146221,0.00520098,0.00738235,0,0,7.452,6.294,1,1
25,1196.29,7.94065,426018,0.161047,0.00443976,0.0111045,1.24863,1.041,3513.85,7.36188,440101,0.150678,0.00452756,0.014533,1.2536,1.03605,9033.42,1.31595,185921,0.0356595,0.00318204,0.0142036,0,0,9999,9999,0,0
26,2.77563e+07,16.1194,6.66267e+06,0.0258433,0.00938631,0.00623182,1.24863,1.041,1.97545e+07,16.418,7.21077e+06,0.0287774,0.0092913,0.00675232,1.2536,1.03605,1.43948e+07,0.693852,1.92626e+06,0.009041,0.00680495,0.00884697,0,0,9999,6.824,0,1
27,565729,12.1727,502851,0.0795162,0.00593706,0.00623424,1.24863,1.041,622857,11.9688,463485,0.0754388,0.00780272,0.00767919,1.2536,1.03605,1.8805e+06,0.803989,185542,0.0152197,0.00503652,0.00615578,0,0,9999,9999,0,0
28,174031,11.5968,64145.5,0.236809,0.00891239,0.00616042,1.24863,1.041,279648,11.4261,58059.8,0.215701,0.00958591,0.00511973,1.2536,1.03605,1.10484e+06,0.542407,22205.5,0.0681738,0.00558657,0.0038903,0,0,9999,10.849,0,1
29,70177.3,9.85839,69989.2,0.164355,0.0100065,0.00576002,1.24863,1.041,28710.4,10.5898,102552,0.207787,0.00781458,0.00687067,1.2536,1.03605,51546.6,2.43123,125583,0.199816,0.00485129,0.00649493,0,0,9999,9999,0,0
30,1.07917e+06,5.31061,24263.2,0.108443,0.00629975,0.00758629,1.24863,1.041,1.68447e+06,5.54785,24717.1,0.117718,0.00981919,0.0090947,1.2536,1.03605,5.57575e+06,0.903325,10662.5,0.0455631,0.00523188,0.00468453,0,0,9999,9999,0,0
31,514011,9.83277,58114.5,0.30407,0.0062134,0.0255211,1.24863,1.041,465533,9.74129,55840.5,0.297494,0.00571258,0.023259,1.2536,1.03605,755011,0.553792,15516.7,0.0466836,0.00336848,0.00845669,0,0,142.563,5.063,1,1
32,1.05659e+07,6.37166,89231.2,0.0893035,0.00437863,0.0196574,1.24863,1.041,3.64436e+06,5.82283,91004.9,0.0856983,0.00566571,0.0234649,1.2536,1.03605,2.76329e+07,0.858177,28020.2,0.0225798,0.00334389,0.0119246,0,0,9999,6.408,0,1
33,882256,10.7028,200326,0.371484,0.00407578,0.00920953,1.24863,1.041,2.87342e+06,9.98493,213260,0.329642,0.00352662,0.00690977,1.2536,1.03605,1.28393e+07,1.40016,126695,0.0629427,0.0014784,0.00707311,0,0,30.538,16.913,1,1
34,1.58989e+06,18.3899,100823,0.315047,0.00890145,0.0031318,1.24863,1.041,3.13563e+06,18.7173,134729,0.375204,0.00816375,0.00381868,1.2536,1.03605,7.29791e+06,1.35694,77977.2,0.193895,0.0053098,0.00261905,0,0,3.527,3.038,1,1
35,1.4691e+06,8.71328,87622.8,0.330944,0.00602026,0.00501706,1.24863,1.041,302940,9.07216,89491.2,0.347598,0.00653991,0.00588099,1.2536,1.03605,732570,1.24248,40079.8,0.0800767,0.00351488,0.00459562,0,0,9999,9999,0,0
36,628.418,7.99598,72946.8,0.486814,0.00471588,0.00766681,1.24863,1.041,775.803,7.70817,62444.2,0.452249,0.00617364,0.00983588,1.2536,1.03605,1029.11,1.25463,38746.7,0.325273,0.00340188,0.00731401,0,0,4.573,3.945,1,1
37,63236.3,9.91441,293641,0.131008,0.0087658,0.00457905,1.24863,1.041,52418.8,9.85742,271259,0.115311,0.00998864,0.00562686,1.2536,1.03605,46411.2,0.594948,117812,0.0457417,0.0052073,0.00304879,0,0,9999,9999,0,0
38,6.03421e+06,7.22746,315569,0.214136,0.00616158,0.00631898,1.24863,1.041,656905,7.51309,419661,0.251301,0.00630944,0.00755559,1.2536,1.03605,1.70284e+06,0.623968,176395,0.0662968,0.00322442,0.0055445,0,0,9999,9999,0,0
39,1.22982e+06,6.16015,248724,0.0921602,0.00947851,0.00467742,1.24863,1.041,2.76991e+06,6.48742,233702,0.0899422,0.00949727,0.005339,1.2536,1.03605,1.29679e+07,0.865596,72614.8,0.0315316,0.00614665,0.00444728,0,0,10.535,9.447,1,1
40,784337,12.3424,168433,0.396514,0.00492844,0.00349499,1.24863,1.041,236055,12.5187,131416,0.39411,0.00614439,0.00516226,1.2536,1.03605,258535,0.982769,71315.6,0.154538,0.00360374,0.00334179,0,0,9999,9999,0,0
41,37435.4,7.23936,242625,0.111469,0.0108881,0.00456477,1.24863,1.041,38094.8,7.53747,296946,0.129033,0.00974114,0.00442491,1.2536,1.03605,53600.6,0.854439,141381,0.048546,0.00498347,0.00270124,0,0,9999,9999,0,0
42,1.26096e+06,9.14475,181703,0.0812467,0.00880193,0.00672745,1.24863,1.041,7.16692e+06,8.63393,172365,0.0735692,0.00802746,0.0061141,1.2536,1.03605,3.82926e+07,2.2477,65207.1,0.022301,0.00458506,0.00471468,0,0,9999,23.109,0,1
43,1.61331e+06,6.95516,444623,0.306579,0.00836442,0.0053005,1.24863,1.041,1.6439e+06,7.0794,482189,0.309428,0.00821718,0.00524719,1.2536,1.03605,4.09901e+06,0.430573,212420,0.0908368,0.00466462,0.00338791,0,0,9999,9999,0,0
44,6046.39,9.24214,87549.8,0.0953458,0.0106349,0.004559,1.24863,1.041,16781.6,9.17912,86439.9,0.0964625,0.0109444,0.00562975,1.2536,1.03605,160328,1.53296,46927.8,0.0718967,0.00636179,0.0043606,0,0,9999,9999,0,0
45,77273.5,14.2945,246072,0.0982392,0.00864614,0.00775513,1.24863,1.041,55703.5,13.8567,167024,0.0748952,0.00964002,0.00696064,1.2536,1.03605,54796.1,1.16456,68084.7,0.0327758,0.00586666,0.00611695,0,0,9999,9999,0,0
46,780404,21.7553,85345.1,0.11459,0.00783353,0.00728713,1.24863,1.041,497384,22.0737,90925.4,0.128749,0.00772349,0.00572176,1.2536,1.03605,626600,1.24884,55122.3,0.104702,0.0051805,0.00577239,0,0,4.539,3.994,1,1
47,1.23707e+07,8.64814,263551,0.157227,0.00839913,0.0074501,1.24863,1.041,1.29035e+07,9.12912,289518,0.175399,0.00802733,0.00718059,1.2536,1.03605,2.97529e+07,1.33677,159450,0.0692746,0.00420119,0.00690964,0,0,9999,9999,0,0
48,1128.75,15.1416,328584,0.112212,0.0110788,0.00539797,1.24863,1.041,1816.84,15.1837,475079,0.150418,0.0100983,0.00484622,1.2536,1.03605,1963.8,1.68295,277503,0.0766423,0.00511082,0.00372683,0,0,9999,9999,0,0
49,265531,9.64953,982535,0.20107,0.00934657,0.00421145,1.24863,1.041,217554,9.84647,973047,0.206801,0.0104645,0.00479393,1.2536,1.03605,257936,0.52376,378246,0.0570723,0.00458721,0.00290804,0,0,9999,9999,0,0
50,644338,6.8624,233976,0.239996,0.0136433,0.0051345,1.24863,1.041,1.06351e+07,6.61644,250591,0.230564,0.0136915,0.00474204,1.2536,1.03605,8.96247e+07,1.33734,128877,0.079807,0.00657132,0.00357497,0,0,9999,9999,0,0
51,8.05125e+06,11.7051,160081,0.543048,0.00530423,0.00894198,1.24863,1.041,4.93082e+06,11.9716,141723,0.549828,0.00510726,0.00770648,1.2536,1.03605,1.72376e+07,0.907138,70131.8,0.197728,0.00218531,0.00312288,0,0,174.569,9999,1,0
52,3.74247e+06,5.84274,61488.5,0.065918,0.011476,0.00375662,1.24863,1.041,682706,5.88327,66354.6,0.0699745,0.0116698,0.00388289,1.2536,1.03605,3.76371e+06,0.437534,15148.1,0.0171614,0.00537541,0.00417417,0,0,13.53,4.981,1,1
53,251528,12.1047,1.38922e+06,0.187863,0.0115194,0.00384651,1.24863,1.041,153408,12.2273,1.25117e+06,0.199197,0.0138146,0.00464938,1.2536,1.03605,185852,1.01806,911935,0.272579,0.00822811,0.00331549,0,0,6.535,5.621,1,1
54,48902.4,6.003,80380.9,0.0450655,0.00769684,0.00414659,1.24863,1.041,38784.9,6.02976,97868.6,0.0571613,0.00865339,0.00453907,1.2536,1.03605,118132,0.536907,32801.1,0.0280322,0.00528249,0.00320642,0,0,9999,9999,0,0
55,104166,11.169,632926,0.127504,0.00747695,0.00858193,1.24863,1.041,64782,11.8289,851053,0.155139,0.00503251,0.00780121,1.2536,1.03605,49357.9,0.871359,372117,0.0585523,0.0027933,0.00476908,0,0,5.517,1.028,1,1
56,1.65414e+06,8.69827,87049.4,0.0613364,0.00849585,0.00851314,1.24863,1.041,812669,8.93488,86056.7,0.0562128,0.00800446,0.00674544,1.2536,1.03605,908208,0.70621,25391.6,0.029201,0.00599865,0.00613572,0,0,9999,4.224,0,1
57,895504,7.38418,1.72046e+06,0.0880392,0.00951492,0.0073755,1.24863,1.041,2.84782e+06,7.2959,1.66268e+06,0.0859576,0.00871435,0.00651922,1.2536,1.03605,1.20226e+07,0.432367,667736,0.0372651,0.00540292,0.0062102,0,0,9999,9999,0,0
58,8620.9,10.281,511026,0.420962,0.00546433,0.00746236,1.24863,1.041,17669.9,10.1948,606815,0.49186,0.00574078,0.00662481,1.2536,1.03605,25050.6,0.643672,263330,0.175844,0.00304742,0.00739715,0,0,9999,5.351,0,1
59,25414.5,8.58634,203484,0.155327,0.00830541,0.00770269,1.24863,1.041,25353.1,8.68321,228597,0.170026,0.00634311,0.00657593,1.2536,1.03605,26741.4,0.411906,48998.8,0.0455582,0.00365137,0.00391544,0,0,5.45,5.169,1,1
60,9520.75,9.05258,1.197e+06,0.0773168,0.00657105,0.00639316,1.24863,1.041,12898.7,9.37962,1.30152e+06,0.0872531,0.00798991,0.00661784,1.2536,1.03605,32435.1,1.41519,654705,0.0296778,0.00575257,0.00748902,0,0,9999,9999,0,0
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63,5.93455e+07,13.5311,529485,0.178749,0.0107632,0.0046039,1.24863,1.041,7.3317e+07,13.6042,629714,0.220112,0.0134527,0.00486812,1.2536,1.03605,2.6884e+08,0.761691,357036,0.0935103,0.00692713,0.00398051,0,0,9999,9999,0,0
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66,278968,9.09097,189266,0.0780307,0.00516007,0.00548862,1.24863,1.041,215510,10.1743,178128,0.0784315,0.00692517,0.00727462,1.2536,1.03605,823008,2.27125,56000,0.0132837,0.004433,0.00482994,0,0,9999,9999,0,0
67,963.851,9.49044,24182,0.452244,0.00621,0.00347762,1.24863,1.041,832.957,9.52058,22517.1,0.423746,0.00675567,0.00339179,1.2536,1.03605,437.606,0.768606,4926.29,0.081105,0.0026845,0.00152869,0,0,9999,1.892,0,1
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69,62035.6,11.4185,13588.5,0.521526,0.00355482,0.0112924,1.24863,1.041,34390.4,11.0883,11176.9,0.446618,0.00410007,0.010305,1.2536,1.03605,47683.6,0.612088,4242.02,0.109784,0.00199892,0.0112128,0,0,2.323,1.654,1,1
70,7960.09,9.00986,56617.3,0.228472,0.00804878,0.00601837,1.24863,1.041,8303.92,8.95981,68410.3,0.297239,0.00771632,0.00619769,1.2536,1.03605,8315.96,0.828264,42473.8,0.216757,0.00517619,0.00571262,0,0,9999,9999,0,0
71,882925,5.83633,170131,0.124704,0.00769779,0.00632638,1.24863,1.041,1.23707e+07,5.89907,199804,0.139445,0.00844653,0.00604691,1.2536,1.03605,9.49725e+07,1.17372,73035.2,0.0442464,0.00574295,0.00599003,0,0,15.224,9.796,1,1
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82,537060,12.3408,100717,0.0837672,0.00840614,0.00452365,1.24863,1.041,549650,12.5262,112522,0.0971725,0.00891547,0.00799612,1.2536,1.03605,968764,0.817326,31516,0.0338831,0.00672695,0.00765811,0,0,9999,27.058,0,1
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84,3.36862e+07,15.2887,83723.9,0.123461,0.01676,0.00317232,1.24863,1.041,373416,16.4623,91662.1,0.129868,0.0165585,0.00332685,1.2536,1.03605,2.79886e+06,1.73619,58069.6,0.0632992,0.00747925,0.00171391,0,0,9999,9999,0,0
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88,472529,11.9302,1.22435e+06,0.0555799,0.0112794,0.00270911,1.24863,1.041,1.36364e+06,11.5833,1.45323e+06,0.0643577,0.0135368,0.00356849,1.2536,1.03605,2.89523e+06,1.06889,563253,0.026713,0.00857092,0.00191181,0,0,9999,9999,0,0
89,504178,11.3231,166063,0.144778,0.00791783,0.00427098,1.24863,1.041,405897,11.1203,140216,0.124911,0.00964099,0.00507154,1.2536,1.03605,785743,0.627721,52402.6,0.0353083,0.00497914,0.00442628,0,0,9999,9999,0,0
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