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
1,1.82614e+08,10.3574,978979,0.166441,0.00922222,0.00751083,1.22376,1.05448,1.53462e+07,10.3859,1.02283e+06,0.201778,0.00992371,0.00682032,1.21663,1.05405,5.0862e+07,0.590052,933520,0.214875,0.00702817,0.00522398,0,0,9.587,10.485,1,1
2,465.865,6.18778,24771.5,0.674358,0.00807128,0.00737117,1.22376,1.05448,4283,5.84076,19934.5,0.561452,0.00747498,0.00726301,1.21663,1.05405,25192.1,1.02771,7422.19,0.176009,0.00354975,0.00516291,0,0,0.108,1.82,1,1
3,90128.5,12.9368,348434,0.0932603,0.00941043,0.00695873,1.22376,1.05448,76916.8,12.9472,334709,0.0917958,0.00949203,0.00658082,1.21663,1.05405,52311,0.925808,142676,0.036391,0.00679826,0.00497772,0,0,9999,5.474,0,1
4,7262.96,10.8922,263733,0.116998,0.0116121,0.00782428,1.22376,1.05448,7721.61,10.8673,254899,0.110133,0.0123398,0.00718201,1.21663,1.05405,6666.5,0.74518,106793,0.0592497,0.00925154,0.00469839,0,0,9999,9999,0,0
5,41961.1,6.05907,321210,0.415425,0.00389945,0.00759749,1.22376,1.05448,439087,5.80279,328331,0.396409,0.00417716,0.00837155,1.21663,1.05405,3.05654e+06,0.60088,111337,0.0716816,0.00184402,0.00689584,0,0,87.466,9999,1,0
6,3.79408e+06,8.59288,106314,0.21415,0.00841735,0.00770222,1.22376,1.05448,2.58896e+06,8.60087,116042,0.220172,0.00768354,0.00753894,1.21663,1.05405,1.78521e+07,0.817957,56682.6,0.0738028,0.00426768,0.00566383,0,0,9999,9999,0,0
7,70562.5,12.8007,142008,0.109445,0.00393038,0.0182584,1.22376,1.05448,54889.5,13.131,160944,0.11418,0.0033146,0.0173761,1.21663,1.05405,105460,0.646841,66741.1,0.0145636,0.00223607,0.0105992,0,0,9999,9999,0,0
8,132081,4.75363,324896,0.0607169,0.00860954,0.00691133,1.22376,1.05448,188104,4.98471,348701,0.0787623,0.0104684,0.00810647,1.21663,1.05405,467673,0.576692,92192.1,0.034753,0.00858994,0.0062136,0,0,9.531,9.017,1,1
9,194005,11.972,239408,0.10265,0.00508107,0.00884438,1.22376,1.05448,235936,10.977,199651,0.0915349,0.00530093,0.00875989,1.21663,1.05405,1.18564e+06,2.8123,76250.2,0.022317,0.00369953,0.00651889,0,0,9999,9999,0,0
10,117582,9.67695,106151,0.0416064,0.0102034,0.00679946,1.22376,1.05448,111509,9.76707,95192.5,0.0381517,0.00870362,0.00679535,1.21663,1.05405,273030,1.23934,36863.5,0.0110025,0.00550625,0.00494165,0,0,9999,9999,0,0
11,76566.2,12.5028,627571,0.122429,0.00671949,0.00601624,1.22376,1.05448,89079.2,12.5106,647772,0.131819,0.00723041,0.00741291,1.21663,1.05405,281977,1.35799,339489,0.0535428,0.00415125,0.0054251,0,0,9999,9999,0,0
12,4.22274e+08,10.4415,8.97209e+06,0.0295523,0.0107127,0.00649655,1.22376,1.05448,4.38059e+08,10.3734,8.5407e+06,0.0260625,0.00997208,0.00760992,1.21663,1.05405,5.40029e+08,0.281871,2.66883e+06,0.00869395,0.00870778,0.00587247,0,0,5.532,5.105,1,1
13,11290.1,7.89625,129531,0.0994629,0.00577872,0.00797001,1.22376,1.05448,11603.3,7.8004,116418,0.0908265,0.00755754,0.00869069,1.21663,1.05405,9285.67,0.491097,35922,0.0242149,0.00458035,0.00548585,0,0,4.458,4.038,1,1
14,7.17655e+06,7.29553,124956,0.518425,0.00913334,0.00589925,1.22376,1.05448,7.77221e+06,7.39957,113004,0.503325,0.00915501,0.00697508,1.21663,1.05405,1.01074e+08,1.70983,78283.3,0.180749,0.00513468,0.00427312,0,0,8.41,6.92,1,1
15,266523,7.11945,9.49446e+06,0.363482,0.029925,0.00444204,1.22376,1.05448,328309,6.81948,8.02154e+06,0.292986,0.0317659,0.0046936,1.21663,1.05405,940983,1.00367,4.51913e+06,0.148189,0.0162108,0.00305505,0,0,9999,9999,0,0
16,5.06919e+06,12.8051,923275,0.0421592,0.00900378,0.00599726,1.22376,1.05448,4.65423e+06,12.89,910003,0.0435889,0.00917423,0.00632305,1.21663,1.05405,3.34044e+07,1.12079,383788,0.022161,0.00639976,0.00448092,0,0,9999,9999,0,0
17,69961,7.45976,206802,0.297526,0.00928799,0.00631639,1.22376,1.05448,85118.2,7.31394,193820,0.287643,0.0100437,0.00630944,1.21663,1.05405,129259,1.03089,97253,0.100494,0.00538593,0.00389891,0,0,9999,9999,0,0
18,661.768,9.77774,137388,0.295721,0.0106285,0.00648204,1.22376,1.05448,847.386,10.0227,169906,0.370984,0.0106544,0.0082483,1.21663,1.05405,676.928,0.825316,65426,0.148426,0.00467314,0.00541431,0,0,9999,8.494,0,1
19,495636,7.05488,100420,0.213502,0.00470159,0.00881543,1.22376,1.05448,715178,7.10774,104557,0.221491,0.00505485,0.00946501,1.21663,1.05405,1.826e+06,0.790922,32626.3,0.0408722,0.00280255,0.00663206,0,0,9999,9999,0,0
20,34521,5.58136,40275.6,0.581687,0.00967267,0.00706835,1.22376,1.05448,43782.5,5.12005,39612,0.405362,0.00957141,0.00655728,1.21663,1.05405,74467.6,0.682386,19050.8,0.127731,0.0037921,0.00213519,0,0,9999,9999,0,0
21,2.2192e+06,6.92595,181846,0.104722,0.00465348,0.0045714,1.22376,1.05448,2.40454e+07,6.97455,178748,0.105358,0.00424732,0.00421024,1.21663,1.05405,2.83229e+08,0.441353,48536.3,0.015166,0.00174053,0.00165244,0,0,9999,9999,0,0
22,2082.51,13.8496,147180,0.244251,0.0152104,0.00650142,1.22376,1.05448,1708.7,14.8461,145250,0.305611,0.0160742,0.0064335,1.21663,1.05405,2626.34,2.17566,81561.2,0.227585,0.0102195,0.00389602,0,0,9999,9999,0,0
23,286184,12.7347,287787,0.425232,0.00780537,0.00677473,1.22376,1.05448,156691,12.7668,235522,0.410787,0.00843859,0.00600315,1.21663,1.05405,269371,0.752598,97427.7,0.137165,0.0037173,0.00414627,0,0,9999,9999,0,0
24,50916.3,13.6899,93061.6,0.198671,0.0095624,0.00620601,1.22376,1.05448,87473.2,14.0397,148992,0.233708,0.0086231,0.00729482,1.21663,1.05405,192549,2.23388,219596,0.254951,0.00632502,0.0058787,0,0,7.452,6.294,1,1
25,4953.03,7.72851,487323,0.168097,0.00407876,0.01276,1.22376,1.05448,4655.53,7.78105,499443,0.171747,0.0049859,0.014697,1.21663,1.05405,24369.4,1.46346,245696,0.0623986,0.00461701,0.0138533,0,0,9999,9999,0,0
26,4.62203e+07,16.2816,1.00539e+07,0.0300573,0.00889258,0.0071929,1.22376,1.05448,3.88417e+07,16.2253,9.58387e+06,0.0282122,0.00952291,0.00701373,1.21663,1.05405,3.2694e+07,0.71493,2.78551e+06,0.00892145,0.00708294,0.00528157,0,0,9999,6.824,0,1
27,299289,12.2155,483243,0.081071,0.00858262,0.00819929,1.22376,1.05448,668582,11.9985,495577,0.0795407,0.00715228,0.00674398,1.21663,1.05405,1.16214e+06,0.78884,179208,0.0167852,0.0052711,0.00389514,0,0,9999,9999,0,0
28,1.00766e+06,11.1973,64925.9,0.262643,0.0112527,0.00787488,1.22376,1.05448,306482,11.4702,67581,0.268789,0.00984534,0.00718638,1.21663,1.05405,1.14004e+06,0.649204,38070,0.206671,0.00534254,0.00563863,0,0,9999,10.849,0,1
29,109913,9.91169,100067,0.179007,0.00926959,0.00785532,1.22376,1.05448,38832.3,9.73565,63100.2,0.156787,0.00936738,0.0079423,1.21663,1.05405,71885.2,1.81933,42315.6,0.0928939,0.00635336,0.00707305,0,0,9999,9999,0,0
30,3.70976e+06,5.39696,27094.8,0.132005,0.0121086,0.00986098,1.22376,1.05448,2.18769e+06,5.64674,28946.6,0.136892,0.0108489,0.0103959,1.21663,1.05405,1.78409e+07,1.11138,10134.9,0.0449245,0.00683636,0.00490921,0,0,9999,9999,0,0
31,1.58963e+06,9.6192,55916.3,0.283581,0.00747079,0.0249004,1.22376,1.05448,622947,9.78688,64076.6,0.292509,0.00525432,0.0211967,1.21663,1.05405,1.04607e+06,0.641443,19886.5,0.0628985,0.00386095,0.00957092,0,0,142.563,5.063,1,1
32,2.77894e+06,6.33554,99426.6,0.0951033,0.00387047,0.0158206,1.22376,1.05448,1.18206e+07,6.42975,92713.1,0.0911061,0.00532891,0.0201761,1.21663,1.05405,1.34554e+08,1.20249,34683.1,0.0277843,0.00419831,0.00980712,0,0,9999,6.408,0,1
33,434496,9.35195,250502,0.320844,0.00353732,0.00935371,1.22376,1.05448,2.80805e+06,9.87322,205839,0.328421,0.00356141,0.00749557,1.21663,1.05405,1.52606e+07,1.50444,88970.7,0.062674,0.00153231,0.00474669,0,0,30.538,16.913,1,1
34,2.15192e+06,18.6177,153619,0.386487,0.007567,0.00445213,1.22376,1.05448,2.88834e+06,18.3358,119022,0.316566,0.0121252,0.00476338,1.21663,1.05405,1.23494e+07,1.09036,55262.8,0.145525,0.00701079,0.00261094,0,0,3.527,3.038,1,1
35,599604,9.24213,84878.8,0.350733,0.00627053,0.0055456,1.22376,1.05448,1.55651e+06,8.97652,87913.8,0.334411,0.00616994,0.00578546,1.21663,1.05405,7.8551e+06,1.10124,38391.3,0.0788638,0.00324496,0.00370895,0,0,9999,9999,0,0
36,1.56286e+06,6.97614,60902,0.387238,0.00790248,0.00764624,1.22376,1.05448,646.691,7.64223,56662.3,0.402191,0.00738018,0.00878117,1.21663,1.05405,971.749,1.11493,33355.3,0.206493,0.00514812,0.00615481,0,0,4.573,3.945,1,1
37,61600.4,9.61865,209992,0.0979622,0.012508,0.00564607,1.22376,1.05448,43989.5,9.75197,240842,0.1106,0.0102439,0.00514051,1.21663,1.05405,48063.5,0.607426,111250,0.0499191,0.00586945,0.00289625,0,0,9999,9999,0,0
38,697882,7.26004,328209,0.220024,0.00644941,0.00640761,1.22376,1.05448,2.01542e+06,7.34798,398737,0.244113,0.00682115,0.00829375,1.21663,1.05405,7.07994e+06,0.832575,222520,0.082225,0.00400483,0.00583815,0,0,9999,9999,0,0
39,4.39748e+06,5.85906,239060,0.086824,0.0101383,0.00570124,1.22376,1.05448,1.84473e+07,5.97263,257830,0.0921992,0.00896173,0.00595357,1.21663,1.05405,1.02908e+08,1.12123,108575,0.0372919,0.00512513,0.00350094,0,0,10.535,9.447,1,1
40,480267,11.9081,101081,0.341467,0.00667615,0.00371395,1.22376,1.05448,544251,12.3716,124264,0.390492,0.007345,0.0057637,1.21663,1.05405,2.65027e+06,0.947795,82065.1,0.140621,0.00426775,0.00284023,0,0,9999,9999,0,0
41,33205.1,7.46973,284285,0.124209,0.00947078,0.00555345,1.22376,1.05448,35348.3,7.55651,297199,0.134958,0.0119739,0.00595218,1.21663,1.05405,55594.2,0.787358,113037,0.0429644,0.00745315,0.0038627,0,0,9999,9999,0,0
42,2.92213e+06,8.55369,174917,0.0724555,0.00843675,0.00693941,1.22376,1.05448,2.94007e+06,8.6188,190609,0.077246,0.00977412,0.00699987,1.21663,1.05405,1.9914e+07,2.24242,95633.1,0.0305844,0.00787341,0.00474493,0,0,9999,23.109,0,1
43,2.51663e+06,7.02158,516606,0.32305,0.00931386,0.0064251,1.22376,1.05448,1.87679e+06,6.98591,437593,0.304629,0.010655,0.00664589,1.21663,1.05405,4.38726e+06,0.365609,169629,0.0799096,0.00618292,0.00297819,0,0,9999,9999,0,0
44,5960.64,9.02426,106467,0.118627,0.0116808,0.00614314,1.22376,1.05448,4604.46,9.74651,134798,0.14757,0.013974,0.00663032,1.21663,1.05405,9538.51,1.80605,102687,0.112714,0.00862594,0.00366549,0,0,9999,9999,0,0
45,71679.6,13.7718,193662,0.080215,0.00856061,0.00728819,1.22376,1.05448,60822.5,13.5798,168706,0.0760902,0.00977491,0.00695451,1.21663,1.05405,51937.8,1.28055,90421.7,0.0384653,0.00728073,0.00516751,0,0,9999,9999,0,0
46,528918,22.2287,95568.7,0.120519,0.00751937,0.00681494,1.22376,1.05448,595466,22.1526,108678,0.138633,0.00962113,0.006997,1.21663,1.05405,683827,1.28065,64840.8,0.11945,0.0072135,0.00525499,0,0,4.539,3.994,1,1
47,1.49298e+07,9.58886,273565,0.172889,0.00903139,0.00665033,1.22376,1.05448,1.38682e+07,9.11563,295599,0.173152,0.00826164,0.00765402,1.21663,1.05405,4.29987e+07,1.21896,163176,0.0595457,0.00552902,0.0059644,0,0,9999,9999,0,0
48,2012.63,15.8097,548640,0.177746,0.00956054,0.00482418,1.22376,1.05448,2275.3,15.0323,480955,0.141914,0.0108542,0.00630198,1.21663,1.05405,3019.1,2.2008,344685,0.0843895,0.00718206,0.00429603,0,0,9999,9999,0,0
49,189784,9.88248,1.05477e+06,0.219262,0.0127319,0.00650788,1.22376,1.05448,263573,9.86979,1.09956e+06,0.2278,0.00957616,0.00578388,1.21663,1.05405,270941,0.533452,392647,0.0593286,0.00408594,0.00323819,0,0,9999,9999,0,0
50,4.41583e+06,6.25341,373372,0.290878,0.014127,0.00625911,1.22376,1.05448,8.95534e+06,6.86034,257837,0.248764,0.0147745,0.00518065,1.21663,1.05405,7.21942e+07,1.27618,148489,0.114305,0.00892245,0.00331933,0,0,9999,9999,0,0
51,3.48797e+06,12.022,143153,0.569687,0.00468175,0.00773843,1.22376,1.05448,5.72394e+06,11.9278,140900,0.531622,0.00536589,0.00809273,1.21663,1.05405,3.06514e+07,0.817607,70243.4,0.203605,0.00268905,0.00332387,0,0,174.569,9999,1,0
52,5.22691e+06,6.01033,73136.9,0.0777331,0.0133627,0.00501818,1.22376,1.05448,559046,6.14331,70141.7,0.0724701,0.013467,0.0055809,1.21663,1.05405,4.6773e+06,0.554626,17765,0.0220475,0.00703866,0.00309976,0,0,13.53,4.981,1,1
53,132855,11.9724,1.09665e+06,0.12628,0.0159665,0.00502118,1.22376,1.05448,238066,12.1869,1.56225e+06,0.203154,0.0164909,0.00534235,1.21663,1.05405,394805,0.901616,787062,0.129421,0.0103304,0.00334326,0,0,6.535,5.621,1,1
54,15416.2,6.15477,87114.4,0.0527054,0.0121421,0.00610922,1.22376,1.05448,74788.9,6.09362,97986,0.0587458,0.0108635,0.00625512,1.21663,1.05405,592712,0.610197,38884.2,0.0336596,0.00662382,0.00384983,0,0,9999,9999,0,0
55,68157.9,11.4964,772819,0.124539,0.00681406,0.00888291,1.22376,1.05448,71959.4,11.4429,832588,0.123074,0.00617328,0.00861667,1.21663,1.05405,65771.6,0.8789,359201,0.0502654,0.00331197,0.00428806,0,0,5.517,1.028,1,1
56,1.53775e+06,9.07918,98574.4,0.0528152,0.00961464,0.00745985,1.22376,1.05448,948539,9.32649,116685,0.0670559,0.00992247,0.00728086,1.21663,1.05405,1.53897e+06,0.858095,38563.7,0.032087,0.00816786,0.00632874,0,0,9999,4.224,0,1
57,1.51709e+07,7.23543,1.71671e+06,0.0934405,0.00877582,0.00665677,1.22376,1.05448,4.31818e+06,7.27762,1.67041e+06,0.0883935,0.00934096,0.00768008,1.21663,1.05405,1.59469e+07,0.384692,637702,0.037614,0.00694213,0.005866,0,0,9999,9999,0,0
58,18061.2,10.254,665538,0.477886,0.00646286,0.00764246,1.22376,1.05448,10484.4,10.3727,579832,0.450698,0.00689475,0.00710609,1.21663,1.05405,17212.2,0.727787,224064,0.162642,0.00347567,0.00451341,0,0,9999,5.351,0,1
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