total_score fa_rep hbond_sc all_cst tot_pstat_pm tot_nlpstat_pm tot_burunsat_pm tot_hbond_pm tot_NLconts_pm tot_nlsurfaceE_pm tot_total_charge tot_total_pos_charges tot_total_neg_charges tot_seq_recovery SR_1 SR_1_total_score SR_1_fa_rep SR_1_hbond_sc SR_1_all_cst SR_1_hbond_pm SR_1_burunsat_pm SR_1_pstat_pm SR_1_nlpstat_pm SR_2 SR_2_total_score SR_2_fa_rep SR_2_hbond_sc SR_2_all_cst SR_2_hbond_pm SR_2_burunsat_pm SR_2_pstat_pm SR_2_nlpstat_pm SR_3 SR_3_total_score SR_3_fa_rep SR_3_hbond_sc SR_3_all_cst SR_3_interf_E_1_3 SR_3_dsasa_1_3 SR_3_interf_E_2_3 SR_3_dsasa_2_3 SR_3_hbond_pm SR_3_burunsat_pm nlr_dE nlr_totrms nlr_SR1_rms nlr_SR2_rms description -246.22 294.07 -12.38 98.48 0.62 0.63 113.00 295.00 59.00 7.78 -13.00 25.00 38.00 0.30 252.00 0.30 0.22 0.00 19.27 1.00 0.00 0.75 0.56 182.00 -0.75 0.88 0.00 29.97 2.00 1.00 0.63 0.80 322.00 -3.38 0.40 0.00 49.24 -5.34 0.31 -1.43 0.36 0.00 0.00 5.18 0.67 1.85 0.20 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_1 -233.28 319.98 -11.88 72.49 0.69 0.67 102.00 297.00 59.00 7.65 -13.00 25.00 38.00 0.40 252.00 0.33 0.21 0.00 3.94 1.00 0.00 0.51 0.59 182.00 -1.49 0.48 0.00 32.31 0.00 2.00 0.64 0.73 322.00 -3.31 0.41 0.00 36.25 -5.46 0.31 -1.17 0.29 0.00 0.00 5.43 0.26 1.84 0.25 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_2 -197.27 303.84 -12.04 139.35 0.66 0.65 109.00 294.00 58.00 7.66 -13.00 25.00 38.00 0.30 252.00 0.37 0.24 0.00 20.27 2.00 0.00 0.91 0.87 182.00 10.00 1.62 0.00 49.41 0.00 3.00 0.80 0.78 322.00 -2.40 0.20 0.00 69.67 -4.00 0.28 -0.80 0.21 0.00 0.00 1.55 0.36 1.84 0.20 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_3 -233.69 319.54 -11.86 72.82 0.68 0.68 105.00 300.00 59.00 7.78 -13.00 26.00 39.00 0.11 252.00 0.34 0.24 0.00 6.67 1.00 0.00 0.51 0.52 182.00 -1.61 0.54 0.00 29.74 0.00 1.00 0.82 0.66 322.00 -3.33 0.40 0.00 36.41 -5.71 0.41 -0.96 0.22 0.00 0.00 6.12 1.51 1.84 0.23 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_4 -233.09 318.55 -11.90 80.38 0.69 0.67 106.00 297.00 58.00 7.78 -14.00 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0.00 0.56 0.48 182.00 -1.49 0.63 0.00 30.63 0.00 2.00 0.89 0.71 322.00 -2.61 0.72 0.00 37.74 -4.28 0.34 -0.94 0.26 0.00 0.00 5.25 0.65 0.07 0.27 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_8 -270.70 282.18 -11.33 76.82 0.68 0.69 111.00 298.00 59.00 7.79 -12.00 26.00 38.00 0.30 252.00 0.16 0.17 0.00 8.35 1.00 0.00 0.37 0.35 182.00 -1.57 0.39 0.00 30.06 0.00 2.00 0.42 0.60 322.00 -3.31 0.32 0.00 38.41 -5.58 0.35 -1.04 0.23 0.00 0.00 6.64 0.06 0.07 0.24 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_9 267.35 779.89 -12.38 98.09 0.66 0.63 109.00 291.00 55.00 7.10 -13.00 24.00 37.00 0.29 252.00 0.26 0.41 0.00 18.89 1.00 0.00 0.42 0.37 182.00 -0.41 1.24 0.00 30.16 1.00 2.00 0.92 0.87 322.00 -2.97 0.31 0.00 49.04 -5.20 0.25 -0.74 0.40 0.00 0.00 5.97 0.08 0.09 0.36 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_10 2769.30 3246.05 -11.40 341.07 0.66 0.64 112.00 297.00 57.00 7.65 -13.00 25.00 38.00 0.12 252.00 0.29 0.29 0.00 42.99 2.00 0.00 0.44 0.59 182.00 204.23 204.72 0.00 127.54 1.00 0.00 0.54 0.75 322.00 355.56 356.98 0.00 170.53 711.13 0.40 -0.01 0.02 0.00 0.00 -2815.17 1.46 0.00 3.25 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_11 57.37 561.66 -12.35 92.66 0.62 0.62 111.00 293.00 56.00 7.65 -14.00 24.00 38.00 0.29 252.00 0.11 0.45 0.00 16.59 1.00 0.00 0.40 0.44 182.00 0.27 1.10 0.00 29.74 0.00 3.00 0.89 0.79 322.00 -2.89 0.33 0.00 46.33 -5.31 0.26 -0.48 0.47 0.00 0.00 4.16 0.29 0.09 0.13 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_12 -271.24 284.65 -13.50 77.06 0.70 0.69 107.00 304.00 60.00 7.79 -12.00 26.00 38.00 0.40 252.00 0.37 0.31 0.00 8.73 2.00 0.00 0.62 0.66 182.00 -1.70 0.39 0.00 29.80 0.00 2.00 0.47 0.50 322.00 -3.54 0.31 0.00 38.53 -6.03 0.40 -1.06 0.22 0.00 0.00 6.98 0.70 0.07 0.25 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_13 -232.20 320.15 -11.40 80.45 0.67 0.68 106.00 299.00 58.00 7.78 -14.00 25.00 39.00 0.11 252.00 0.27 0.21 0.00 10.19 2.00 0.00 0.68 0.65 182.00 -1.73 0.66 0.00 30.04 0.00 1.00 0.48 0.68 322.00 -3.28 0.37 0.00 40.22 -5.44 0.38 -1.13 0.17 0.00 0.00 5.30 0.95 1.84 0.24 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_14 -83.46 438.87 -12.97 115.19 0.64 0.62 111.00 292.00 57.00 7.11 -12.00 25.00 37.00 0.21 252.00 0.24 0.31 0.00 27.79 1.00 0.00 0.30 0.42 182.00 0.18 0.73 0.00 29.81 2.00 2.00 0.89 0.90 322.00 -3.12 0.29 0.00 57.60 -5.34 0.28 -0.91 0.29 0.00 0.00 6.53 0.01 0.08 0.00 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_15 -227.67 321.91 -11.36 52.91 0.70 0.70 106.00 298.00 57.00 7.78 -14.00 25.00 39.00 0.33 252.00 0.28 0.20 0.00 1.57 1.00 0.00 0.83 0.75 182.00 -1.26 0.68 0.00 24.89 0.00 1.00 0.49 0.46 322.00 -2.80 0.53 0.00 26.46 -4.58 0.36 -1.02 0.25 0.00 0.00 4.80 0.70 0.07 0.22 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_16 -230.21 321.30 -11.37 0.96 0.67 0.67 108.00 299.00 60.00 7.79 -13.00 25.00 38.00 0.12 252.00 0.27 0.28 0.00 0.23 1.00 0.00 0.53 0.49 182.00 -0.22 0.10 0.00 0.25 0.00 1.00 0.57 0.61 322.00 -1.79 0.15 0.00 0.48 -3.21 0.43 -0.37 0.26 0.00 0.00 3.43 0.06 0.07 0.25 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_17 -233.99 319.98 -11.89 74.42 0.70 0.69 107.00 299.00 59.00 7.78 -13.00 26.00 39.00 0.11 252.00 0.29 0.19 0.00 6.68 1.00 0.00 0.81 0.65 182.00 -1.47 0.54 0.00 30.52 0.00 1.00 0.47 0.39 322.00 -3.36 0.40 0.00 37.21 -5.80 0.42 -0.92 0.22 0.00 0.00 5.81 1.40 1.85 3.99 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_18 -211.03 304.46 -11.93 105.78 0.68 0.67 113.00 298.00 58.00 7.78 -14.00 25.00 39.00 0.11 252.00 0.26 0.30 0.00 22.72 2.00 0.00 0.33 0.45 182.00 0.11 2.65 0.00 30.17 3.00 2.00 0.91 0.96 322.00 -2.68 0.72 0.00 52.89 -4.74 0.34 -0.63 0.42 0.00 0.00 3.48 0.73 0.10 0.36 UM_107_C12H190_1jw9_clean_femococonstraints_1__DE_19 -269.53 282.27 -11.33 72.50 0.67 0.67 105.00 297.00 57.00 7.66 -13.00 25.00 38.00 0.30 252.00 0.10 0.21 0.00 6.38 2.00 0.00 0.65 0.74 182.00 -1.63 0.38 0.00 29.87 0.00 2.00 0.74 0.86 322.00 -3.34 0.31 0.00 36.25 -5.59 0.36 -1.10 0.25 0.00 0.00 6.38 0.48 1.84 0.25 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