wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_ca bad_ byst soft bac break pre pre pre cons hbon hbon hbond hbond miss cost .5 r_b _ba .5 2 ic_f hain _c pept roff _cla kbo d_a d_a d_a trai d_ge d_ge _geom _geom ing_ ack ck it ide shes ne_ lph lph lph nts om om_b _beta _beta atom bon cla a2k a04 a06 ackb _pair s e she one s WEIGHTS--> 15.0 5.0 5.0 15.0 25.0 20.0 5.0 4.0 5.0 9.0 12.0 5.0 50.0 2.0 125.0 2.0 2.0 2.0 10.0 5.0 10.0 50.0 100.0 1.0 T0370.try31-opt2.pdb.gz 7.7 8.2 8.1 44.1 75.1 66.6 17.6 0.2 -22.7 3.2 1.5 -0.8 2.8 0.0 3.4 1.1 0.8 0.6 0.0 -3.1 -4.8 -14.0 -24.4 0.0 170.97 T0370.try51-opt2.pdb.gz 7.8 8.2 8.0 43.7 75.1 66.8 17.5 -0.3 -23.7 3.4 1.4 -0.9 3.5 0.0 4.0 1.2 0.7 0.6 0.0 -2.8 -4.5 -14.2 -24.3 0.0 171.12 T0370.try50-opt2.pdb.gz 7.6 8.1 8.0 43.9 75.7 67.1 17.7 0.8 -23.6 3.2 1.5 -0.7 2.7 0.0 4.1 1.0 0.6 0.4 0.0 -3.1 -4.9 -14.0 -24.4 0.0 171.68 T0370.try50-opt1.pdb.gz 7.6 8.2 8.0 43.9 75.7 67.2 17.7 0.8 -23.2 3.2 1.4 -0.7 2.9 0.0 3.7 1.1 0.7 0.4 0.0 -3.1 -4.9 -14.0 -24.4 0.0 172.22 T0370.try51-opt1.pdb.gz 7.8 8.2 8.1 43.7 75.2 66.9 17.5 -0.4 -23.2 3.4 1.4 -0.9 4.2 0.0 4.0 1.2 0.8 0.6 0.0 -2.9 -4.5 -14.3 -24.4 0.0 172.45 T0370.try31-opt1.pdb.gz 7.8 8.2 8.1 44.2 75.8 66.8 17.6 0.3 -22.9 3.3 1.5 -0.7 2.9 0.0 3.6 1.1 0.8 0.6 0.0 -3.1 -4.8 -14.0 -24.4 0.0 172.63 chimera-47-31.pdb.gz 7.8 8.2 8.1 43.9 75.3 66.9 17.6 -0.3 -23.2 3.3 1.4 -0.9 4.0 0.0 4.0 1.2 0.8 0.6 0.0 -2.9 -4.5 -14.2 -24.4 0.0 172.68 chimera-43-31.pdb.gz 7.6 8.2 8.0 43.9 75.7 67.2 17.8 0.8 -23.0 3.2 1.5 -0.7 3.3 0.1 4.2 1.1 0.7 0.4 0.0 -3.1 -4.9 -14.0 -24.4 0.0 173.39 T0370.try30-opt2.pdb.gz 7.7 8.1 8.0 44.1 76.9 67.4 17.8 0.7 -23.3 3.3 1.4 -0.7 2.7 0.0 3.9 1.0 0.7 0.4 0.0 -3.1 -4.9 -14.0 -24.5 0.0 173.74 T0370.try44-opt2.pdb.gz 8.1 8.2 8.1 43.6 74.4 66.4 17.7 -0.5 -26.2 3.0 1.5 -0.7 5.1 0.0 3.9 0.6 0.5 0.4 0.0 -3.3 -5.1 -11.2 -19.4 0.0 175.18 T0370.try30-opt1.pdb.gz 7.7 8.2 8.0 44.4 76.4 67.6 17.8 0.9 -24.3 3.9 1.5 -0.6 3.7 0.0 4.8 1.0 0.6 0.4 0.0 -3.1 -4.9 -13.9 -24.3 0.0 175.66 T0370.try47-opt2.pdb.gz 8.0 8.2 8.1 43.9 75.1 66.1 17.4 -1.2 -26.7 3.1 1.5 -0.7 5.0 0.1 4.4 0.7 0.6 0.6 0.0 -3.1 -4.6 -11.6 -18.9 0.0 176.01 T0370.try31-opt2.repack- 8.1 8.2 8.1 45.6 76.7 67.7 17.6 0.5 -23.1 3.2 1.5 -0.8 3.4 0.0 3.4 1.1 0.8 0.6 0.0 -3.1 -4.8 -14.0 -24.4 0.0 176.16 T0370.try43-opt2.pdb.gz 7.7 8.2 8.0 44.1 76.1 67.4 17.8 0.9 -25.1 3.2 1.4 -0.6 5.2 0.0 4.2 1.0 0.6 0.4 0.0 -2.9 -4.7 -13.4 -23.4 0.0 176.19 T0370.try27-opt2.pdb.gz 7.7 8.2 8.0 44.1 75.8 67.4 17.7 0.8 -24.7 3.8 1.6 -0.6 5.3 0.0 5.5 1.0 0.6 0.4 0.0 -3.1 -4.9 -14.0 -24.4 0.0 176.36 T0370.try45-opt2.pdb.gz 7.9 8.3 8.1 43.4 74.7 66.1 17.6 -0.8 -26.3 2.9 1.5 -0.7 5.4 0.1 4.1 0.6 0.5 0.4 0.0 -3.1 -4.9 -11.0 -18.5 0.0 176.38 T0370.try51-opt2.repack- 8.0 8.2 8.0 45.7 76.8 68.0 17.6 -0.2 -24.3 3.4 1.4 -0.9 4.0 0.0 4.0 1.2 0.7 0.6 0.0 -2.9 -4.5 -14.2 -24.3 0.0 176.38 T0370.try44-opt1.pdb.gz 8.1 8.2 8.2 43.7 74.7 66.6 17.7 -0.5 -25.8 3.2 1.5 -0.6 5.0 0.0 3.8 0.6 0.5 0.4 0.0 -3.2 -5.0 -11.2 -19.4 0.0 176.47 T0370.try50-opt2.repack- 7.8 8.1 8.0 45.5 77.2 68.4 17.8 1.1 -24.1 3.2 1.5 -0.7 3.7 0.0 4.1 1.0 0.6 0.4 0.0 -3.1 -4.9 -14.0 -24.4 0.0 177.20 T0370.try43-opt1.pdb.gz 7.7 8.2 8.1 44.1 76.4 67.4 17.8 0.9 -25.2 3.4 1.4 -0.5 5.9 0.0 4.5 1.0 0.6 0.4 0.0 -2.9 -4.7 -13.3 -23.4 0.0 177.87 T0370.try47-opt1.pdb.gz 8.0 8.3 8.1 43.9 75.3 66.2 17.4 -1.2 -26.1 3.3 1.5 -0.7 5.9 0.1 4.3 0.7 0.6 0.7 0.0 -3.1 -4.6 -11.5 -18.9 0.0 177.98 T0370.try41-opt2.pdb.gz 8.0 8.2 8.2 43.6 75.1 66.8 17.7 -0.5 -26.4 3.2 1.5 -0.7 5.9 0.0 4.3 0.6 0.5 0.4 0.0 -3.2 -5.0 -11.2 -19.3 0.0 178.10 T0370.try30-opt2.repack- 7.9 8.1 8.0 45.5 78.0 68.5 17.9 1.0 -23.5 3.3 1.4 -0.7 3.5 0.0 3.9 1.0 0.7 0.4 0.0 -3.2 -4.9 -14.0 -24.5 0.0 178.40 T0370.try34-opt2.pdb.gz 7.7 8.2 8.0 44.3 76.4 67.4 17.8 0.9 -25.5 3.9 1.4 -0.5 6.5 0.0 4.6 1.0 0.6 0.4 0.0 -2.9 -4.7 -13.3 -23.4 0.0 178.61 T0370.try45-opt1.pdb.gz 8.0 8.3 8.2 43.5 74.9 66.2 17.6 -0.8 -25.7 3.2 1.4 -0.7 6.4 0.1 4.2 0.6 0.5 0.4 0.0 -3.1 -4.9 -10.9 -18.5 0.0 178.61 T0370.try39-opt2.pdb.gz 8.0 8.3 8.2 43.4 75.0 66.2 17.6 -0.8 -25.8 3.2 1.5 -0.7 6.7 0.1 4.9 0.6 0.4 0.3 0.0 -3.1 -4.9 -11.0 -18.5 0.0 179.56 T0370.try37-opt2.pdb.gz 8.0 8.2 8.1 44.0 75.3 66.3 17.4 -1.1 -26.0 3.1 1.5 -0.7 6.4 0.1 5.3 0.7 0.6 0.6 0.0 -3.1 -4.6 -11.5 -18.9 0.0 179.59 T0370.try27-opt1.pdb.gz 7.9 8.3 8.0 44.4 76.4 67.8 17.8 0.9 -24.8 3.8 1.5 -0.5 5.7 0.0 5.6 1.0 0.6 0.4 0.0 -3.1 -4.9 -13.9 -23.6 0.0 179.61 T0370.try43-opt2.gromacs 8.4 8.2 8.1 44.7 76.2 67.1 17.8 -0.5 -26.5 3.0 1.5 -0.7 6.1 0.0 3.9 0.6 0.5 0.4 0.0 -3.3 -5.1 -11.2 -19.4 0.0 179.85 T0370.try34-opt1.pdb.gz 7.7 8.2 8.0 44.5 76.5 67.8 17.8 0.9 -24.9 4.0 1.4 -0.5 6.1 0.0 4.6 1.0 0.6 0.4 0.0 -3.0 -4.7 -13.2 -23.2 0.0 180.26 T0370.try45-opt2.repack- 8.1 8.3 8.1 44.9 76.4 67.0 17.6 -0.7 -26.3 2.9 1.5 -0.7 5.4 0.1 4.1 0.6 0.5 0.4 0.0 -3.2 -4.9 -11.0 -18.5 0.0 180.71 T0370.try40-opt2.pdb.gz 7.8 8.2 8.0 43.8 75.0 66.8 17.8 0.1 -26.6 3.2 1.5 -0.6 7.4 0.0 5.2 0.5 0.5 0.5 0.0 -3.3 -4.9 -11.3 -18.8 0.0 180.79 T0370.try43-opt2.repack- 7.9 8.2 8.0 45.3 77.8 68.6 17.9 1.2 -24.6 3.2 1.4 -0.6 4.9 0.0 4.2 1.0 0.6 0.4 0.0 -2.9 -4.7 -13.4 -23.4 0.0 180.95 T0370.try25-opt2.pdb.gz 7.8 8.2 8.0 44.5 76.8 68.1 17.8 1.0 -24.6 3.9 1.3 -0.5 6.3 0.0 4.4 1.0 0.6 0.4 0.0 -3.0 -4.7 -13.3 -23.1 0.0 181.13 T0370.try41-opt2.repack- 8.4 8.2 8.2 44.8 76.3 67.5 17.8 -0.3 -26.6 3.2 1.5 -0.7 6.0 0.0 4.3 0.6 0.5 0.4 0.0 -3.2 -5.0 -11.2 -19.3 0.0 181.43 T0370.try27-opt2.repack- 7.7 8.2 8.0 45.7 77.6 68.8 17.8 1.2 -24.4 3.8 1.6 -0.6 4.8 0.0 5.5 1.0 0.6 0.4 0.0 -3.0 -4.9 -14.0 -24.4 0.0 181.52 T0370.try47-opt2.repack- 8.3 8.2 8.1 45.5 76.2 67.2 17.4 -0.6 -26.3 3.1 1.5 -0.7 5.3 0.1 4.4 0.7 0.6 0.6 0.0 -2.9 -4.6 -11.6 -18.9 0.0 181.66 T0370.try73-opt2.pdb.gz 8.1 8.3 8.3 44.2 75.6 67.4 17.7 2.3 -24.7 4.4 2.2 -1.1 3.8 0.0 4.2 0.9 0.6 0.4 0.0 -2.4 -3.9 -12.2 -22.2 0.0 181.76 T0370.try41-opt1.pdb.gz 8.1 8.3 8.2 43.7 75.6 67.3 17.8 -0.3 -25.5 3.3 1.5 -0.6 6.0 0.0 4.3 0.7 0.6 0.5 0.0 -3.2 -4.9 -11.0 -18.5 0.0 181.88 T0370.try38-opt2.pdb.gz 7.9 8.1 8.1 44.0 75.6 67.2 17.8 0.1 -24.1 3.5 1.6 -0.6 7.9 0.1 5.9 0.7 0.5 0.4 0.0 -3.1 -4.6 -12.4 -22.2 0.0 182.24 T0370.try51-opt2.gromacs 7.8 8.4 8.2 44.3 76.1 67.1 17.6 -0.4 -17.6 2.1 2.9 -0.6 0.6 0.0 4.2 2.1 1.8 1.6 0.0 -2.7 -4.3 -13.9 -23.1 0.0 182.26 T0370.try48-opt1.pdb.gz 8.2 8.2 8.1 44.1 75.0 66.1 17.5 -1.1 -25.5 3.1 1.5 -0.5 9.6 0.0 4.4 0.5 0.4 0.3 0.0 -3.2 -5.0 -10.7 -18.5 0.0 182.47 T0370.try50-opt2.gromacs 7.6 8.3 8.1 44.8 76.7 67.4 17.7 0.8 -18.0 2.2 2.8 -0.5 0.4 0.0 3.8 2.0 1.7 1.5 0.0 -3.0 -4.8 -13.8 -23.2 0.0 182.48 T0370.try45-opt2.gromacs 8.0 8.4 8.1 44.4 76.1 66.3 17.5 -0.8 -20.1 2.2 2.7 -0.5 0.9 0.1 1.9 1.5 1.6 1.7 0.0 -3.1 -4.8 -11.0 -18.4 0.0 182.73 T0370.try34-opt2.repack- 7.8 8.2 8.0 45.3 77.8 68.8 17.9 1.2 -24.4 3.9 1.4 -0.5 5.5 0.0 4.6 1.0 0.6 0.4 0.0 -2.9 -4.7 -13.3 -23.4 0.0 183.09 T0370.try73-opt1.pdb.gz 8.1 8.3 8.3 44.4 75.9 67.5 17.7 2.3 -24.4 4.4 2.3 -1.0 4.1 0.0 3.7 1.0 0.6 0.4 0.0 -2.4 -3.9 -12.0 -22.1 0.0 183.17 T0370.try39-opt2.repack- 8.2 8.3 8.2 44.8 76.3 66.8 17.6 -0.7 -25.4 3.2 1.5 -0.7 6.2 0.1 4.9 0.6 0.4 0.3 0.0 -3.2 -4.9 -11.0 -18.5 0.0 183.18 T0370.try31-opt2.gromacs 7.7 8.3 8.2 44.9 76.0 66.9 17.6 0.2 -17.6 2.2 2.9 -0.5 0.5 0.0 5.4 2.0 1.8 1.6 0.0 -3.0 -4.6 -13.8 -23.2 0.0 183.44 T0370.try46-opt2.pdb.gz 8.6 8.6 8.3 45.7 77.4 69.7 18.3 4.6 -22.5 2.4 2.1 -1.0 0.5 0.0 4.7 1.3 1.0 0.8 0.0 -3.1 -4.9 -14.3 -23.8 0.0 184.33 T0370.try37-opt1.pdb.gz 8.1 8.3 8.1 44.6 76.0 66.9 17.4 -0.9 -24.5 3.1 1.4 -0.7 7.6 0.1 4.1 0.9 0.8 0.8 0.0 -3.0 -4.6 -11.4 -18.9 0.0 184.44 T0370.try45-opt2.gromacs 8.3 8.4 8.1 45.3 76.9 66.8 17.6 -0.6 -21.3 2.2 2.7 -0.5 1.3 0.1 1.9 1.5 1.6 1.7 0.0 -3.2 -4.8 -11.0 -18.4 0.0 184.48 T0370.try72-opt2.pdb.gz 8.1 8.3 8.3 44.4 76.2 67.4 17.7 2.3 -24.0 4.4 2.3 -1.0 4.6 0.0 3.9 1.1 0.7 0.5 0.0 -2.4 -3.9 -12.1 -22.2 0.0 184.70 T0370.try41-opt2.gromacs 8.1 8.6 8.2 44.7 76.1 67.0 17.8 -0.5 -19.9 1.9 2.9 -0.5 0.9 0.0 2.9 1.5 1.7 1.8 0.0 -3.2 -4.9 -11.1 -19.3 0.0 184.71 T0370.try44-opt2.gromacs 8.1 8.5 8.1 44.7 75.3 66.8 17.7 -0.5 -19.8 1.9 3.0 -0.4 0.9 0.0 4.4 1.5 1.6 1.7 0.0 -3.3 -5.0 -11.2 -19.2 0.0 184.99 T0370.try25-opt2.repack- 7.8 8.2 8.0 45.7 77.8 69.2 18.0 1.3 -24.1 3.9 1.3 -0.5 6.1 0.0 4.4 1.0 0.6 0.4 0.0 -3.0 -4.7 -13.3 -23.1 0.0 185.05 T0370.try47-opt2.gromacs 8.1 8.4 8.2 44.6 76.0 66.4 17.4 -1.2 -20.0 2.2 3.0 -0.6 1.1 0.0 3.7 1.5 1.7 1.9 0.0 -3.0 -4.4 -11.4 -18.6 0.0 185.09 T0370.try42-opt2.pdb.gz 8.3 8.2 8.0 43.6 75.5 67.2 18.0 -1.0 -26.0 3.6 1.8 -0.5 7.7 0.1 8.5 0.5 0.5 0.4 0.0 -3.2 -5.0 -11.3 -19.5 0.0 185.22 T0370.try37-opt2.gromacs 8.0 8.5 8.2 44.5 76.2 66.6 17.4 -1.1 -19.9 2.2 2.8 -0.7 1.4 0.1 3.3 1.5 1.8 1.9 0.0 -3.0 -4.5 -11.4 -18.5 0.0 185.29 T0370.try30-opt2.gromacs 7.7 8.2 8.2 45.1 77.4 67.7 17.8 0.7 -17.9 2.1 2.8 -0.6 0.4 0.0 5.1 2.0 1.7 1.5 0.0 -3.0 -4.7 -13.7 -23.1 0.0 185.37 T0370.try51-opt2.gromacs 8.2 8.4 8.2 45.8 77.3 67.5 17.6 -0.3 -18.2 2.1 2.9 -0.6 0.9 0.0 4.2 2.1 1.8 1.6 0.0 -2.7 -4.3 -13.9 -23.1 0.0 185.45 T0370.try39-opt2.gromacs 8.0 8.4 8.2 44.6 75.8 66.4 17.6 -0.8 -19.7 2.1 2.8 -0.5 1.1 0.0 3.8 1.5 1.6 1.7 0.0 -3.1 -4.8 -10.9 -18.3 0.0 185.60 T0370.try50-opt2.gromacs 7.8 8.3 8.1 45.7 77.8 68.4 17.8 1.0 -18.4 2.2 2.8 -0.5 0.6 0.0 3.8 2.0 1.7 1.5 0.0 -3.0 -4.8 -13.8 -23.2 0.0 185.71 T0370.try38-opt2.repack- 8.4 8.1 8.1 45.3 76.9 68.9 18.0 0.4 -24.9 3.5 1.6 -0.6 6.8 0.1 5.9 0.7 0.5 0.4 0.0 -3.0 -4.6 -12.4 -22.2 0.0 185.84 T0370.try73-opt2.repack- 8.5 8.3 8.3 45.6 77.0 68.0 17.7 2.5 -24.3 4.4 2.2 -1.1 3.6 0.0 4.2 0.9 0.6 0.4 0.0 -2.5 -3.9 -12.2 -22.2 0.0 185.91 T0370.try37-opt2.repack- 8.2 8.2 8.1 45.7 76.3 67.3 17.5 -0.7 -25.0 3.1 1.5 -0.7 7.2 0.1 5.3 0.7 0.6 0.6 0.0 -3.0 -4.6 -11.5 -18.9 0.0 186.08 T0370.try27-opt2.gromacs 7.7 8.3 8.1 44.9 76.8 67.7 17.8 0.8 -18.2 2.4 2.9 -0.5 1.1 0.0 5.8 2.1 1.8 1.5 0.0 -3.0 -4.7 -13.6 -23.1 0.0 186.38 T0370.try39-opt1.pdb.gz 8.1 8.3 8.2 44.0 75.4 66.4 17.6 -0.8 -24.0 3.3 1.4 -0.5 10.6 0.1 3.8 0.7 0.6 0.6 0.0 -3.1 -4.7 -11.0 -18.5 0.0 186.55 T0370.try41-opt2.gromacs 8.4 8.6 8.2 45.0 77.0 67.6 17.8 -0.2 -20.6 1.9 2.9 -0.5 0.9 0.0 2.9 1.5 1.7 1.8 0.0 -3.0 -4.9 -11.1 -19.3 0.0 186.59 T0370.try40-opt1.pdb.gz 7.8 8.2 8.0 44.4 76.4 67.5 17.9 0.5 -24.9 3.0 1.4 -0.6 8.2 0.0 4.6 0.7 0.7 0.8 0.0 -3.2 -4.8 -11.3 -18.8 0.0 186.61 T0370.try67-opt2.pdb.gz 8.0 8.4 8.2 44.6 76.1 68.1 17.9 1.1 -24.9 4.6 2.4 -0.7 3.5 0.1 4.3 0.5 0.4 0.3 0.0 -2.6 -3.9 -10.5 -18.6 0.0 187.14 T0370.try40-opt2.repack- 7.8 8.2 8.0 45.3 76.8 68.3 18.0 0.3 -26.3 3.2 1.5 -0.6 8.2 0.0 5.2 0.5 0.5 0.5 0.0 -3.2 -4.9 -11.3 -18.8 0.0 187.20 T0370.try23-opt2.pdb.gz 8.6 8.5 8.4 44.5 76.0 68.3 17.9 0.1 -21.3 3.4 1.9 -1.1 11.6 0.0 4.4 1.3 1.2 1.0 0.0 -3.0 -4.7 -13.6 -25.9 0.0 187.31 T0370.try40-opt2.gromacs 7.7 8.3 8.0 44.5 75.8 67.2 17.8 0.1 -20.5 2.4 2.8 -0.4 2.3 0.0 4.2 1.6 1.6 1.7 0.0 -3.2 -4.8 -11.1 -18.6 0.0 187.52 T0370.try44-opt2.gromacs 8.3 8.5 8.1 45.4 76.8 67.2 17.8 -0.5 -20.6 1.9 3.0 -0.4 1.3 0.0 4.4 1.5 1.6 1.7 0.0 -3.2 -5.0 -11.2 -19.2 0.0 187.59 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T0370.try19-opt2.gromacs 8.8 8.4 8.3 47.4 77.7 68.7 17.8 1.1 -15.9 2.8 3.2 -0.2 1.9 0.1 5.0 2.3 2.0 1.8 0.0 -3.2 -4.6 -13.1 -23.4 0.0 196.87 T0370.try21-opt2.pdb.gz 8.1 8.4 8.2 47.3 80.3 71.4 18.6 4.2 -23.5 3.1 1.3 -0.2 5.7 0.1 6.0 1.4 1.3 1.0 0.0 -3.0 -5.0 -13.9 -23.9 0.0 196.87 T0370.try27-opt1-scwrl.p 8.0 8.3 8.0 46.2 78.3 69.3 18.0 1.2 -26.1 3.8 1.5 -0.5 18.2 0.0 5.6 1.0 0.6 0.4 0.0 -2.8 -4.9 -13.9 -23.6 0.0 196.90 T0370.try58-opt2.pdb.gz 7.9 8.2 8.1 43.5 75.8 67.0 17.6 0.8 -15.9 3.4 2.4 -1.0 2.9 0.1 5.3 1.1 0.8 0.8 0.0 -2.3 -3.5 -9.0 -16.9 0.0 196.96 T0370.try54-opt1.pdb.gz 8.0 8.2 8.1 44.7 76.7 67.6 17.7 0.9 -20.0 4.4 2.4 -0.7 3.6 0.1 4.3 1.0 0.7 0.6 0.0 -2.2 -3.5 -8.9 -16.8 0.0 197.02 T0370.try15-opt2.pdb.gz 8.2 8.3 8.4 46.5 80.7 71.5 18.6 4.4 -20.1 3.3 1.2 -0.7 3.5 0.1 4.7 1.4 1.0 0.8 0.0 -3.0 -4.6 -13.4 -23.9 0.0 197.05 T0370.try47-opt1-scwrl.p 8.2 8.3 8.1 46.8 77.0 67.2 17.5 -0.9 -28.5 3.3 1.5 -0.7 20.8 0.1 4.3 0.7 0.6 0.7 0.0 -2.8 -4.6 -11.5 -18.9 0.0 197.08 T0370.try24-opt2.pdb.gz 8.0 8.4 8.1 47.5 80.9 71.6 18.3 2.4 -24.6 4.2 1.6 -0.7 4.2 0.1 8.4 1.7 1.1 0.9 0.0 -2.9 -4.6 -13.4 -24.1 0.0 197.10 T0370.try32-opt2.gromacs 8.3 8.5 8.3 46.3 79.4 70.1 18.3 2.3 -15.8 2.3 3.1 -0.6 2.3 0.0 5.9 2.1 1.8 1.5 0.0 -2.9 -4.8 -14.3 -25.1 0.0 197.12 T0370.try61-opt2.pdb.gz 8.0 8.2 8.2 44.1 75.9 66.7 17.5 0.3 -23.3 5.3 2.7 -0.8 7.7 0.2 8.0 0.6 0.5 0.3 0.0 -2.4 -3.7 -9.5 -17.3 0.0 197.23 T0370.try25-opt1-scwrl.p 8.2 8.3 8.1 46.0 78.3 69.8 18.2 1.9 -25.6 4.0 1.3 -0.5 15.9 0.0 3.9 1.2 0.8 0.5 0.0 -2.7 -4.6 -13.0 -22.5 0.0 197.37 T0370.try63-opt1.pdb.gz 7.9 8.2 8.2 43.9 76.0 67.0 17.6 0.5 -22.0 5.8 2.5 -0.9 7.9 0.1 5.8 0.9 0.7 0.6 0.0 -2.5 -3.7 -9.8 -17.6 0.0 197.42 T0370.try72-opt2.gromacs 8.5 8.3 8.3 45.8 78.0 68.2 17.7 2.4 -17.9 2.6 3.2 -0.6 1.9 0.0 4.9 2.1 1.6 1.5 0.0 -2.5 -3.7 -11.6 -21.3 0.0 197.53 T0370.try46-opt2.gromacs 8.6 8.7 8.2 46.8 79.1 70.6 18.4 4.8 -17.4 2.1 3.1 -0.8 0.2 0.0 4.2 2.5 2.0 1.7 0.0 -2.8 -4.7 -14.1 -23.8 0.0 197.61 T0370.try20-opt2.repack- 7.7 8.3 8.0 45.7 79.8 71.7 18.9 7.6 -23.3 4.1 1.1 -0.4 6.2 0.0 2.7 1.1 0.8 0.6 0.0 -2.9 -4.7 -13.0 -22.2 0.0 197.62 T0370.try32-opt2.repack- 8.6 8.5 8.3 48.3 80.7 70.5 18.3 2.2 -22.4 3.4 1.5 -0.7 7.9 0.1 7.4 1.2 0.9 0.6 0.0 -2.9 -4.9 -14.5 -25.2 0.0 197.65 T0370.try43-opt1-scwrl.p 8.0 8.2 8.1 46.0 78.0 69.2 18.0 1.1 -26.3 3.4 1.4 -0.5 20.7 0.0 4.5 1.0 0.6 0.4 0.0 -2.8 -4.7 -13.3 -23.4 0.0 197.67 T0370.try32-opt2.gromacs 8.5 8.5 8.3 47.2 80.7 70.7 18.3 2.1 -17.8 2.3 3.1 -0.6 2.3 0.0 5.9 2.1 1.8 1.5 0.0 -3.0 -4.8 -14.3 -25.1 0.0 197.68 T0370.try33-opt2.repack- 8.6 8.4 8.4 45.9 79.7 70.9 18.2 4.1 -21.2 3.2 1.3 -0.7 2.5 0.0 3.7 1.4 1.1 1.1 0.0 -3.1 -4.9 -11.9 -19.2 0.0 197.72 T0370.try40-opt1-scwrl.p 8.0 8.2 8.0 45.7 77.6 69.0 18.1 1.1 -28.0 3.0 1.4 -0.6 17.4 0.0 4.6 0.7 0.7 0.8 0.0 -3.1 -4.8 -11.3 -18.8 0.0 197.76 T0370.try71-opt2.gromacs 8.1 8.5 8.4 45.0 75.9 66.2 17.6 -0.4 -17.3 2.4 3.4 -0.8 1.9 0.1 6.4 2.0 1.6 1.4 0.0 -2.5 -3.5 -9.5 -17.0 0.0 197.87 T0370.try2-opt2.gromacs0 8.9 8.5 8.4 46.3 77.9 68.7 17.8 1.3 -16.4 2.9 3.5 0.0 3.5 0.0 7.9 2.2 1.9 1.7 0.0 -3.1 -4.8 -13.8 -25.1 0.0 197.94 T0370.try18-opt2.repack- 8.8 8.4 8.3 47.8 79.7 69.8 18.0 1.6 -20.8 3.9 2.1 -0.2 5.2 0.1 7.0 1.3 1.0 0.8 0.0 -3.1 -4.7 -13.1 -24.0 0.0 197.99 T0370.try26-opt2.repack- 8.6 8.3 8.4 47.1 80.4 70.6 18.2 2.3 -22.5 3.7 1.5 -0.8 5.5 0.1 7.2 1.5 1.0 0.8 0.0 -2.8 -4.5 -13.5 -23.0 0.0 198.05 T0370.try29-opt2.pdb.gz 8.9 8.5 8.5 46.0 77.4 68.8 18.1 3.9 -22.2 4.0 2.2 -0.0 6.3 0.0 8.1 1.0 0.9 0.8 0.0 -3.2 -4.7 -12.6 -22.7 0.0 198.08 T0370.try17-opt2.repack- 8.7 8.4 8.4 47.8 81.1 71.9 18.6 4.7 -21.6 4.0 1.4 -0.7 3.1 0.1 5.6 1.5 1.1 1.0 0.0 -3.0 -4.9 -14.2 -24.5 0.0 198.34 T0370.try11-opt2.pdb.gz 8.4 8.7 8.5 47.6 80.2 71.1 18.5 2.6 -20.4 3.1 1.9 -0.6 7.6 0.1 5.0 1.1 1.2 1.1 0.0 -3.2 -5.1 -13.7 -25.1 0.0 198.46 T0370.try2-opt2.gromacs0 8.9 8.5 8.4 46.4 78.5 69.0 17.8 1.4 -17.0 2.9 3.5 0.0 3.3 0.0 7.9 2.2 1.9 1.7 0.0 -3.0 -4.8 -13.8 -25.1 0.0 198.50 T0370.try57-opt1.pdb.gz 8.1 8.2 8.1 44.9 77.1 67.8 17.7 0.9 -20.2 4.9 2.5 -0.7 3.6 0.0 4.8 1.0 0.7 0.6 0.0 -2.2 -3.5 -8.9 -16.7 0.0 198.60 T0370.try5-opt2.repack-n 8.8 8.5 8.5 47.4 80.6 70.0 18.0 -0.2 -20.7 3.9 1.6 -0.5 8.2 0.0 1.0 1.4 1.6 1.6 0.0 -3.2 -4.8 -11.4 -21.5 0.0 198.61 T0370.try28-opt2.pdb.gz 8.5 8.4 8.2 45.2 76.4 67.9 17.8 3.3 -24.8 4.8 2.4 -0.3 10.9 0.1 10.6 0.8 0.7 0.7 0.0 -3.1 -4.9 -12.8 -22.1 0.0 198.67 T0370.try65-opt2.pdb.gz 8.1 8.2 8.2 43.9 75.2 66.3 17.5 0.3 -23.4 6.1 2.8 -0.7 7.7 0.3 9.8 0.4 0.3 0.2 0.0 -2.4 -3.5 -9.6 -16.8 0.0 198.79 try65-opt2_broken.pdb.gz 8.1 8.2 8.2 43.9 75.2 66.3 17.5 0.3 -23.4 6.1 2.8 -0.7 7.7 0.3 9.8 0.4 0.3 0.2 0.0 -2.4 -3.5 -9.6 -16.8 0.0 198.79 T0370.try46-opt1-scwrl.p 8.7 8.6 8.3 47.7 79.2 70.5 18.4 4.6 -24.0 2.4 2.2 -0.8 9.0 0.0 4.1 1.7 1.3 1.0 0.0 -2.8 -4.7 -13.7 -23.1 0.0 198.86 T0370.try61-opt1.pdb.gz 8.0 8.2 8.3 44.0 76.1 66.9 17.6 0.3 -22.1 5.1 2.6 -0.8 7.1 0.2 7.5 0.7 0.5 0.4 0.0 -2.3 -3.5 -9.1 -17.0 0.0 198.88 T0370.try55-opt1.pdb.gz 8.1 8.2 8.1 44.7 76.8 67.5 17.6 0.7 -19.4 5.4 2.4 -0.7 3.9 0.0 4.6 1.0 0.7 0.6 0.0 -2.2 -3.5 -8.9 -16.9 0.0 198.92 T0370.try53-opt2.pdb.gz 8.1 8.2 8.2 44.9 77.1 67.8 17.7 0.9 -20.5 5.5 2.5 -0.7 3.5 0.0 5.5 1.0 0.7 0.6 0.0 -2.2 -3.5 -9.0 -17.0 0.0 198.99 T0370.try42-opt2.gromacs 8.6 8.4 8.1 45.5 77.7 68.6 18.1 -0.7 -17.5 3.6 3.1 -0.3 2.6 0.1 6.5 1.6 1.7 1.8 0.0 -3.1 -4.9 -11.1 -19.2 0.0 199.07 T0370.try9-opt2.repack-n 8.6 8.4 8.1 47.2 79.9 69.4 18.0 1.8 -20.1 2.7 2.1 -0.2 7.3 0.0 6.9 1.5 1.1 1.0 0.0 -3.0 -4.8 -13.1 -23.9 0.0 199.12 T0370.try37-opt1-scwrl.p 8.3 8.3 8.1 47.0 77.4 68.0 17.6 -0.6 -27.8 3.1 1.4 -0.7 20.1 0.1 4.1 0.9 0.8 0.8 0.0 -2.9 -4.6 -11.4 -18.9 0.0 199.15 T0370.try36-opt2.gromacs 9.2 8.4 8.3 46.9 78.9 69.7 18.1 1.4 -15.8 3.0 3.4 -0.5 3.4 0.1 7.1 2.0 1.7 1.5 0.0 -3.1 -4.8 -13.9 -25.6 0.0 199.22 T0370.try60-opt1.pdb.gz 8.0 8.3 8.2 44.0 75.9 67.0 17.6 0.5 -18.9 5.1 2.5 -0.7 4.6 0.1 6.0 1.0 0.7 0.6 0.0 -2.3 -3.5 -8.8 -16.9 0.0 199.27 T0370.try5-opt2.gromacs0 9.1 8.6 8.5 47.2 78.8 69.4 18.0 -0.3 -17.5 2.7 3.1 -0.5 2.3 0.0 4.1 1.6 1.8 1.8 0.0 -3.0 -4.6 -11.0 -20.9 0.0 199.34 T0370.try9-opt2.gromacs0 8.4 8.4 8.2 45.8 78.2 68.5 17.9 1.7 -15.5 2.3 3.4 0.1 2.5 0.0 7.8 2.1 1.8 1.6 0.0 -3.2 -4.6 -12.8 -23.3 0.0 199.45 T0370.try22-opt2.repack- 8.5 8.6 8.5 48.2 82.0 72.0 18.7 3.0 -23.2 3.1 1.4 -0.4 4.8 0.1 6.0 1.6 1.2 1.1 0.0 -3.0 -4.7 -13.6 -24.5 0.0 199.51 T0370.try54-opt2.repack- 8.3 8.2 8.1 45.8 78.5 67.8 17.7 0.7 -20.4 3.9 2.4 -0.7 3.7 0.1 4.5 1.1 0.8 0.7 0.0 -2.2 -3.5 -9.0 -16.9 0.0 199.57 T0370.try56-opt2.repack- 8.3 8.2 8.1 45.4 78.2 67.7 17.7 0.8 -19.8 3.6 2.4 -0.7 3.6 0.1 5.0 1.1 0.9 0.8 0.0 -2.2 -3.6 -9.1 -16.9 0.0 199.60 T0370.try63-opt2.repack- 8.3 8.2 8.3 45.2 77.5 68.0 17.7 0.6 -23.1 5.8 2.6 -0.8 6.4 0.2 7.5 0.6 0.4 0.3 0.0 -2.2 -3.7 -10.0 -17.8 0.0 199.73 T0370.try57-opt2.repack- 8.3 8.2 8.1 45.6 77.9 68.1 17.8 1.0 -19.8 3.7 2.4 -0.7 3.6 0.1 4.1 1.1 0.8 0.7 0.0 -2.3 -3.5 -8.9 -16.4 0.0 199.80 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T0370.try58-opt2.repack- 8.3 8.2 8.1 45.3 77.8 67.8 17.7 0.9 -18.1 3.4 2.4 -1.0 3.3 0.1 5.3 1.1 0.8 0.8 0.0 -2.3 -3.5 -9.0 -16.9 0.0 200.27 T0370.try59-opt2.pdb.gz 8.1 8.3 8.2 43.6 75.7 66.8 17.6 0.9 -19.5 5.6 2.7 -0.8 7.1 0.1 7.7 0.8 0.6 0.5 0.0 -2.6 -3.8 -10.3 -17.2 0.0 200.29 T0370.try60-opt2.pdb.gz 8.1 8.2 8.2 43.9 75.3 66.7 17.6 0.7 -17.5 5.0 2.6 -1.0 5.9 0.2 6.6 0.9 0.6 0.5 0.0 -2.5 -3.6 -9.3 -17.1 0.0 200.31 T0370.try29-opt2.repack- 8.9 8.5 8.5 47.0 79.0 69.0 18.1 3.7 -22.1 4.0 2.2 -0.0 5.8 0.0 8.1 1.0 0.9 0.8 0.0 -3.2 -4.7 -12.6 -22.7 0.0 200.32 T0370.try26-opt2.gromacs 8.4 8.5 8.3 46.3 79.9 70.0 18.3 2.2 -15.7 2.2 3.1 -0.5 0.9 0.1 6.4 2.7 2.1 1.9 0.0 -2.9 -4.6 -13.8 -23.4 0.0 200.47 T0370.try17-opt2.gromacs 8.4 8.7 8.4 46.9 79.9 71.3 18.5 4.5 -16.5 2.1 2.8 -0.3 0.4 0.0 5.3 2.5 2.2 2.0 0.0 -3.0 -4.8 -14.3 -24.6 0.0 200.52 T0370.try55-opt2.repack- 8.3 8.2 8.1 45.6 78.2 67.6 17.6 0.6 -20.2 5.0 2.4 -0.7 3.8 0.0 5.1 1.0 0.7 0.6 0.0 -2.2 -3.5 -8.9 -16.8 0.0 200.57 T0370.try12-opt2.repack- 8.6 8.5 8.3 47.5 79.2 70.1 18.2 2.6 -20.7 2.8 2.3 -0.4 2.9 0.1 9.3 1.8 1.4 1.2 0.0 -3.0 -4.6 -12.6 -22.8 0.0 200.65 T0370.try12-opt2.pdb.gz 8.7 8.5 8.3 47.0 78.5 70.3 18.2 2.7 -20.5 2.8 2.3 -0.4 3.4 0.1 9.3 1.8 1.4 1.2 0.0 -2.9 -4.6 -12.6 -22.8 0.0 200.71 T0370.try70-opt2.gromacs 8.1 8.6 8.3 44.9 76.6 66.4 17.6 -0.3 -16.7 2.7 3.4 -0.7 1.8 0.0 7.0 2.0 1.6 1.5 0.0 -2.4 -3.5 -9.4 -16.8 0.0 200.77 T0370.try62-opt1.pdb.gz 8.0 8.3 8.2 44.0 75.9 67.2 17.7 0.6 -21.4 5.8 2.5 -0.9 7.8 0.2 6.4 0.8 0.6 0.5 0.0 -2.4 -3.5 -9.1 -16.4 0.0 200.83 T0370.try11-opt2.repack- 8.8 8.7 8.5 48.3 81.6 71.3 18.5 2.5 -20.4 3.1 1.9 -0.6 7.5 0.1 5.0 1.1 1.2 1.1 0.0 -3.3 -5.1 -13.7 -25.1 0.0 200.98 T0370.try14-opt2.gromacs 8.6 8.6 8.3 47.6 80.9 70.8 18.4 2.7 -18.2 3.3 2.8 -0.3 0.6 0.0 5.3 2.8 2.3 2.1 0.0 -2.9 -4.6 -13.8 -24.1 0.0 201.19 T0370.try21-opt2.repack- 8.2 8.4 8.2 48.2 81.8 72.1 18.7 4.6 -22.9 3.1 1.3 -0.2 5.9 0.1 6.0 1.4 1.3 1.0 0.0 -3.0 -5.0 -13.9 -23.9 0.0 201.26 T0370.try11-opt2.gromacs 8.5 8.7 8.5 48.1 80.4 71.1 18.5 2.6 -15.9 2.9 3.0 -0.3 2.1 0.0 4.4 1.7 1.7 1.6 0.0 -3.2 -4.9 -13.4 -24.7 0.0 201.33 T0370.try53-opt2.repack- 8.3 8.2 8.2 45.7 78.1 67.9 17.7 0.9 -20.4 5.5 2.5 -0.7 3.6 0.0 5.5 1.0 0.7 0.6 0.0 -2.2 -3.5 -9.0 -17.0 0.0 201.33 T0370.try4-opt2.pdb.gz 8.6 8.4 8.4 46.6 77.8 69.0 17.9 1.2 -21.7 4.7 2.1 -0.3 8.8 0.1 8.9 1.3 1.0 0.8 0.0 -3.1 -4.7 -12.9 -21.7 0.0 201.34 T0370.try71-opt2.gromacs 8.5 8.5 8.4 46.2 77.1 67.2 17.7 -0.2 -18.0 2.4 3.4 -0.8 2.2 0.1 6.4 2.0 1.6 1.4 0.0 -2.5 -3.5 -9.5 -17.0 0.0 201.38 T0370.try11-opt2.gromacs 8.6 8.7 8.5 48.3 82.1 71.3 18.5 2.5 -18.0 2.9 3.0 -0.3 2.0 0.0 4.4 1.7 1.7 1.6 0.0 -3.1 -4.9 -13.4 -24.7 0.0 201.39 T0370.try24-opt2.repack- 8.4 8.4 8.1 48.3 82.3 71.9 18.3 2.6 -23.0 4.2 1.6 -0.7 3.8 0.1 8.4 1.7 1.1 0.9 0.0 -2.8 -4.6 -13.4 -24.1 0.0 201.50 T0370.try6-opt2.gromacs0 8.7 8.4 8.5 47.0 77.2 68.2 17.8 1.4 -15.0 2.8 3.4 -0.1 2.0 0.0 8.6 2.3 2.0 1.8 0.0 -3.1 -4.5 -12.6 -23.2 0.0 201.55 T0370.try68-opt2.pdb.gz 8.3 8.3 8.1 45.2 76.6 68.0 18.0 0.0 -23.6 4.6 2.5 -0.9 7.8 0.2 6.1 0.8 0.7 0.5 0.0 -2.2 -3.3 -8.6 -15.5 0.0 201.68 T0370.try69-opt2.gromacs 8.2 8.5 8.4 45.4 76.6 67.3 17.8 0.4 -17.3 2.3 3.3 -0.7 1.8 0.1 6.0 1.9 1.5 1.4 0.0 -2.4 -3.4 -9.3 -16.2 0.0 201.71 T0370.try20-opt2.gromacs 7.9 8.3 8.1 46.0 79.9 71.5 18.9 7.5 -19.4 2.7 2.5 -0.4 2.1 0.1 3.8 1.9 1.6 1.4 0.0 -2.9 -4.7 -13.0 -22.0 0.0 201.74 T0370.try5-opt2.gromacs0 9.0 8.6 8.5 47.4 79.8 69.9 18.0 -0.2 -17.8 2.7 3.1 -0.5 3.3 0.0 4.1 1.6 1.8 1.8 0.0 -3.0 -4.6 -11.0 -20.9 0.0 201.80 T0370.try53-opt1.pdb.gz 8.0 8.1 8.2 45.3 77.7 67.9 17.7 0.8 -20.6 6.0 2.6 -0.8 4.2 0.1 5.8 0.9 0.7 0.5 0.0 -2.2 -3.5 -8.9 -16.7 0.0 201.85 T0370.try1-opt2.pdb.gz 8.4 8.2 8.2 46.3 79.6 70.5 18.4 3.8 -26.1 3.2 2.1 -0.4 8.5 0.1 16.4 0.8 0.5 0.3 0.0 -3.0 -4.7 -14.3 -24.5 0.0 202.00 T0370.try21-opt2.gromacs 8.1 8.6 8.3 48.1 80.8 71.6 18.6 4.2 -19.1 2.6 2.8 -0.0 1.8 0.1 5.0 2.2 2.0 1.8 0.0 -3.0 -4.9 -13.8 -23.8 0.0 202.04 T0370.try62-opt2.repack- 8.3 8.2 8.2 45.9 77.5 67.8 17.6 0.6 -21.7 5.7 2.5 -0.9 6.9 0.1 5.6 0.8 0.6 0.5 0.0 -2.3 -3.6 -9.4 -17.0 0.0 202.07 T0370.try59-opt1.pdb.gz 8.1 8.3 8.2 43.8 75.9 66.9 17.6 0.7 -18.9 5.8 2.6 -0.8 8.0 0.2 6.5 0.8 0.6 0.5 0.0 -2.5 -3.6 -9.9 -16.9 0.0 202.10 T0370.try26-opt2.gromacs 8.7 8.5 8.3 46.5 81.2 70.4 18.3 2.3 -16.7 2.2 3.1 -0.5 1.4 0.1 6.4 2.7 2.1 1.9 0.0 -2.9 -4.6 -13.8 -23.4 0.0 202.27 T0370.try4-opt2.repack-n 8.7 8.4 8.4 47.3 79.1 69.4 18.0 1.0 -20.3 4.7 2.1 -0.3 6.0 0.1 8.9 1.3 1.0 0.8 0.0 -3.1 -4.7 -12.9 -21.7 0.0 202.29 T0370.try28-opt2.repack- 8.5 8.4 8.2 46.0 78.0 68.2 17.8 3.4 -21.5 4.8 2.4 -0.3 8.6 0.1 10.6 0.8 0.7 0.7 0.0 -3.2 -4.9 -12.8 -22.1 0.0 202.33 T0370.try48-opt1-scwrl.p 8.2 8.2 8.1 46.2 76.8 67.4 17.6 -1.0 -28.5 3.1 1.5 -0.5 26.8 0.0 4.4 0.5 0.4 0.3 0.0 -3.1 -5.0 -10.7 -18.5 0.0 202.40 T0370.try9-opt2.gromacs0 8.8 8.4 8.2 46.9 79.2 69.0 18.0 1.7 -16.8 2.3 3.4 0.1 3.5 0.0 7.8 2.1 1.8 1.6 0.0 -3.0 -4.6 -12.8 -23.3 0.0 202.41 T0370.try61-opt2.repack- 8.2 8.2 8.2 45.4 77.9 67.5 17.6 0.2 -22.7 5.3 2.7 -0.8 8.1 0.2 8.0 0.6 0.5 0.3 0.0 -2.4 -3.7 -9.5 -17.3 0.0 202.44 T0370.try70-opt2.gromacs 8.5 8.6 8.3 46.2 77.0 67.2 17.7 -0.2 -18.3 2.7 3.4 -0.7 2.0 0.0 7.0 2.0 1.6 1.5 0.0 -2.2 -3.5 -9.4 -16.8 0.0 202.51 T0370.try38-opt1-scwrl.p 8.3 8.1 8.1 47.2 77.8 69.2 18.0 0.6 -25.2 3.5 1.6 -0.6 19.5 0.1 5.3 1.0 0.7 0.6 0.0 -2.8 -4.6 -12.2 -21.7 0.0 202.56 T0370.try13-opt2.repack- 8.5 8.3 8.3 47.2 81.7 72.9 18.7 4.2 -23.2 3.3 1.4 -0.3 6.4 0.0 7.1 1.2 1.0 0.7 0.0 -3.1 -4.8 -13.5 -23.3 0.0 202.64 T0370.try33-opt2.gromacs 8.3 8.6 8.3 45.4 79.2 70.3 18.2 3.6 -17.4 2.4 2.9 -0.4 0.5 0.1 5.8 2.1 2.1 2.1 0.0 -3.2 -4.8 -12.0 -19.3 0.0 202.72 T0370.try18-opt2.gromacs 8.8 8.5 8.4 47.1 78.6 69.5 18.0 1.5 -16.7 2.5 3.4 0.1 2.2 0.0 9.1 2.2 1.9 1.7 0.0 -3.1 -4.6 -12.8 -23.7 0.0 202.92 T0370.try73-opt1-scwrl.p 8.7 8.3 8.3 46.1 79.3 68.1 17.7 1.6 -26.5 4.4 2.3 -1.0 20.5 0.0 3.7 1.0 0.6 0.4 0.0 -2.3 -3.9 -12.0 -22.1 0.0 203.21 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