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150.77 T0329.try13-opt2.pdb.gz 8.0 8.5 8.6 44.6 59.0 48.5 17.2 1.5 -26.5 1.8 1.7 -0.7 0.5 0.0 1.7 0.4 0.3 0.3 -2.4 -3.0 -4.4 -4.9 -8.3 0.0 152.54 T0329.try10-opt2.repack- 8.0 8.3 8.6 45.1 61.5 49.5 17.2 0.7 -26.9 2.6 1.4 -0.4 2.3 0.1 3.9 -0.3 -0.3 -0.3 -5.5 -3.0 -4.7 -5.4 -9.1 0.0 153.09 T0329.try8-opt2.pdb.gz 8.2 8.4 8.6 44.7 59.2 48.4 17.2 1.6 -27.6 2.1 1.2 -1.0 2.7 0.0 3.2 -0.1 -0.1 -0.1 -2.8 -2.9 -4.3 -4.7 -7.6 0.0 154.22 T0329.try7-opt2.pdb.gz 8.2 8.5 8.6 44.4 59.0 48.4 17.1 1.5 -27.4 1.9 1.4 -1.0 2.6 0.1 4.2 -0.1 -0.1 -0.1 -2.9 -2.8 -4.3 -4.8 -7.9 0.0 154.39 T0329.try14-opt1-scwrl.p 8.1 8.3 8.5 45.4 61.6 49.2 17.1 0.7 -27.7 2.6 1.8 -0.5 5.2 0.1 1.5 0.1 0.1 0.1 -5.5 -2.8 -4.6 -5.3 -9.0 0.0 155.05 T0329.try5-opt2.pdb.gz 8.2 8.5 8.6 44.1 58.8 48.1 17.2 1.5 -26.6 2.2 1.4 -0.9 2.6 0.1 4.1 -0.0 -0.0 -0.0 -2.5 -2.7 -4.3 -4.6 -7.5 0.0 155.94 T0329.try13-opt1.pdb.gz 8.1 8.4 8.5 45.1 59.6 48.8 17.2 1.6 -25.7 1.8 1.8 -0.7 0.7 0.0 1.7 0.4 0.4 0.4 -2.4 -2.9 -4.3 -4.7 -7.6 0.0 155.96 T0329.try11-opt2.pdb.gz 8.0 8.0 8.4 44.9 60.1 48.7 17.1 0.9 -26.7 1.3 1.9 -1.1 4.1 0.1 3.9 0.1 0.1 0.2 -1.3 -2.9 -4.4 -5.5 -9.2 0.0 156.65 T0329.try8-opt2.repack-n 8.2 8.4 8.6 45.0 59.8 49.0 17.1 1.6 -24.9 2.1 1.2 -1.0 1.5 0.0 3.2 -0.1 -0.1 -0.1 -2.8 -3.0 -4.3 -4.7 -7.6 0.0 157.16 T0329.try13-opt2.repack- 8.2 8.5 8.6 45.0 60.2 49.2 17.2 1.5 -24.6 1.8 1.7 -0.7 0.8 0.0 1.7 0.4 0.3 0.3 -2.3 -3.0 -4.4 -4.9 -8.3 0.0 157.22 T0329.try8-opt1.pdb.gz 8.3 8.5 8.6 45.0 59.6 48.8 17.2 1.6 -26.9 2.2 1.2 -1.0 2.6 0.1 3.4 -0.1 -0.1 -0.1 -2.7 -2.8 -4.2 -4.6 -7.4 0.0 157.36 T0329.try14-opt2.gromacs 8.0 8.3 8.6 44.9 60.5 48.8 17.1 0.7 -20.8 1.7 2.4 -0.5 0.3 0.0 1.9 0.9 0.8 0.9 -5.3 -3.0 -4.6 -5.2 -8.9 0.0 157.48 T0329.try7-opt2.repack-n 8.2 8.5 8.6 45.3 60.0 49.1 17.2 1.5 -25.5 1.9 1.4 -1.0 1.3 0.1 4.2 -0.1 -0.1 -0.1 -2.9 -2.9 -4.3 -4.8 -7.9 0.0 157.65 T0329.try10-opt1.pdb.gz 8.2 8.4 8.7 45.4 61.3 49.9 17.2 0.8 -26.8 2.5 1.4 -0.3 4.2 0.1 3.8 0.0 0.0 0.0 -5.0 -2.9 -4.7 -5.3 -9.0 0.0 157.88 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