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T0361.try8-opt1.pdb.gz 7.9 7.7 7.9 45.0 59.2 49.9 17.5 -0.1 0.7 1.3 -32.3 -0.8 5.4 0.1 0.4 0.0 0.4 0.3 -3.0 -4.7 -0.3 0.0 0.0 0.0 162.62 T0361.try1-opt2.pdb.gz 8.4 8.2 8.8 43.8 58.8 52.0 19.0 4.9 1.3 2.3 -33.6 -0.5 2.4 0.0 1.8 -0.9 -1.0 -1.3 -4.3 -7.0 -0.5 0.0 0.0 0.0 162.68 T0361.try7-opt2.pdb.gz 8.6 8.4 9.0 43.7 58.1 51.9 18.9 5.2 1.5 2.3 -34.6 -0.3 3.2 0.0 2.1 -1.1 -1.2 -1.6 -4.1 -6.6 -0.4 0.0 0.0 0.0 163.13 T0361.try3-opt2.pdb.gz 8.5 8.6 8.8 43.8 58.8 51.1 18.4 1.8 1.6 2.6 -33.7 -0.7 3.0 0.1 4.1 -0.5 -1.0 -1.3 -4.0 -6.3 -0.5 0.0 0.0 0.0 163.16 T0361.try4-opt2.repack-n 8.5 8.7 8.8 45.5 60.1 51.5 18.5 1.8 1.5 2.6 -33.9 -0.7 1.7 0.1 3.5 -0.9 -1.2 -1.6 -4.1 -6.4 -0.5 0.0 0.0 0.0 163.38 T0361.try5-opt1-scwrl.pd 8.4 8.3 8.7 43.7 59.1 52.1 18.4 1.7 1.7 1.8 -35.0 -0.1 5.8 0.0 1.3 -0.9 -0.9 -1.0 -3.6 -5.6 -0.3 0.0 0.0 0.0 163.47 T0361.try10-opt2.pdb.gz 8.2 8.2 8.3 42.7 57.0 49.1 17.9 5.5 1.6 2.7 -32.8 -0.5 5.6 0.1 3.2 -0.8 -0.8 -1.1 -3.8 -6.0 -0.7 0.0 0.0 0.0 163.79 T0361.try6-opt1.pdb.gz 8.6 8.6 9.0 44.2 59.8 53.3 18.8 2.9 1.5 2.3 -34.4 -0.0 2.9 0.0 0.8 -0.9 -1.1 -1.5 -4.1 -6.7 -0.4 0.0 0.0 0.0 163.81 T0361.try14-opt1.pdb.gz 8.1 7.8 8.4 42.3 58.3 50.5 18.3 1.8 2.3 1.9 -30.6 -0.1 6.1 0.1 0.7 -0.3 0.1 0.2 -3.6 -5.6 -1.9 -1.1 0.0 0.0 163.98 T0361.try1-opt2.repack-n 8.4 8.2 8.8 45.1 60.2 52.3 19.1 5.0 1.3 2.3 -34.2 -0.5 1.5 0.0 1.8 -0.9 -1.0 -1.3 -4.3 -7.0 -0.5 0.0 0.0 0.0 164.53 T0361.try9-opt2.pdb.gz 8.1 7.9 8.4 42.2 58.6 50.7 18.4 1.9 2.3 1.9 -30.2 -0.1 5.7 0.1 0.7 -0.2 0.1 0.1 -3.6 -5.6 -1.8 -1.1 0.0 0.0 164.55 T0361.try18-opt1-scwrl.p 8.6 8.6 8.9 44.6 60.1 52.9 18.8 2.9 1.7 2.0 -35.5 -0.0 4.4 0.0 0.7 -0.8 -1.0 -1.4 -3.9 -6.6 -0.5 0.0 0.0 0.0 164.70 T0361.try8-opt2.gromacs0 7.8 7.8 7.8 44.3 58.5 48.9 17.4 -0.2 1.1 4.2 -27.6 -0.6 1.1 0.0 0.6 0.4 0.9 0.9 -3.3 -4.9 -0.3 0.0 0.0 0.0 164.85 T0361.try13-opt1.pdb.gz 8.2 7.9 8.2 42.2 58.4 49.7 17.9 1.3 2.5 1.9 -29.9 -0.2 6.6 0.1 0.7 0.0 0.5 0.6 -3.4 -5.4 -1.9 -1.1 0.0 0.0 164.91 T0361.try19-opt2.repack- 8.6 8.3 8.7 45.1 59.9 53.4 18.9 3.8 1.4 1.6 -32.7 -0.2 1.5 0.0 0.7 -0.9 -1.0 -1.4 -3.8 -6.2 -0.4 0.0 0.0 0.0 165.17 T0361.try14-opt2.repack- 8.0 7.8 8.3 44.4 59.5 51.7 18.5 2.0 2.2 2.0 -30.0 -0.2 3.5 0.1 0.9 -0.5 -0.3 -0.4 -3.6 -5.7 -1.9 -1.1 0.0 0.0 165.26 T0361.try7-opt2.repack-n 8.5 8.4 9.0 45.3 59.4 52.1 18.9 5.0 1.5 2.3 -34.2 -0.3 2.2 0.0 2.1 -1.1 -1.2 -1.6 -4.0 -6.6 -0.4 0.0 0.0 0.0 165.46 T0361.try3-opt2.repack-n 8.6 8.6 8.8 45.4 59.9 51.8 18.5 1.9 1.6 2.6 -33.4 -0.7 1.8 0.1 4.1 -0.5 -1.0 -1.3 -3.9 -6.3 -0.5 0.0 0.0 0.0 166.09 T0361.try10-opt2.repack- 8.0 8.2 8.3 43.6 57.8 49.8 17.9 5.6 1.6 2.7 -31.0 -0.5 3.9 0.1 3.2 -0.8 -0.8 -1.1 -3.7 -6.0 -0.7 0.0 0.0 0.0 166.41 T0361.try8-opt2.gromacs0 7.8 7.8 7.8 45.1 58.8 49.4 17.5 -0.1 1.1 4.2 -27.6 -0.6 0.9 0.0 0.6 0.4 0.9 0.9 -3.2 -4.9 -0.3 0.0 0.0 0.0 166.55 T0361.try13-opt2.repack- 8.1 7.9 8.2 44.2 58.9 50.8 18.0 1.5 2.4 2.0 -28.1 -0.2 3.9 0.1 1.2 -0.4 -0.0 -0.0 -3.3 -5.5 -1.9 -1.1 0.0 0.0 166.65 T0361.try2-opt1-scwrl.pd 8.5 8.4 8.6 44.4 59.1 52.3 18.5 1.8 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0.0 -0.2 -4.2 -6.5 -0.5 0.0 0.0 0.0 168.69 T0361.try14-opt1-scwrl.p 8.1 7.8 8.4 44.3 59.5 51.7 18.4 1.9 2.3 1.9 -32.4 -0.1 8.2 0.1 0.7 -0.3 0.1 0.2 -3.6 -5.6 -1.9 -1.1 0.0 0.0 168.79 T0361.try1-opt1.pdb.gz 8.3 8.2 8.8 44.3 59.6 52.1 19.0 5.0 1.3 2.5 -31.6 -0.3 4.0 0.0 2.3 -0.9 -1.1 -1.4 -4.0 -6.7 -0.4 0.0 0.0 0.0 168.92 T0361.try11-opt2.repack- 8.9 8.5 8.8 44.4 60.3 53.7 19.2 4.9 2.0 2.1 -32.6 -0.4 2.3 0.0 2.0 -1.2 -1.5 -2.0 -3.9 -6.3 -0.2 0.0 0.0 0.0 168.96 T0361.try15-opt2.repack- 7.5 8.0 8.7 44.4 61.3 56.2 20.0 6.2 1.4 1.4 -34.7 -0.1 2.1 0.1 0.8 -1.1 -0.9 -1.3 -4.0 -6.7 -0.2 0.0 0.0 0.0 169.03 T0361.try16-opt2.pdb.gz 8.1 8.3 8.6 44.0 60.5 53.3 18.9 4.4 1.6 2.1 -33.2 -0.6 2.6 0.0 1.7 -0.6 -0.3 -0.7 -3.6 -5.8 -0.1 0.0 0.0 0.0 169.20 T0361.try13-opt1-scwrl.p 8.3 7.9 8.2 44.1 59.3 51.0 18.0 1.5 2.5 1.9 -32.0 -0.2 8.5 0.1 0.7 0.0 0.5 0.6 -3.4 -5.4 -1.9 -1.1 0.0 0.0 169.29 T0361.try12-opt2.pdb.gz 7.8 8.1 8.4 44.0 60.4 52.3 18.3 1.7 1.9 2.0 -30.2 -0.2 1.9 0.1 2.1 -0.4 -0.1 -0.3 -3.2 -4.9 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