wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_c bad_ byst soft bac break pre pre pre cons hbon hbon hbon hbond missi may may cost .5 r_b _ba .5 2 ic_f hain a_c pept roff _cla kbo d_a d_a d_a trai d_ge d_ge d_ge _geom ng_at be_ be_ ack ck it ide shes ne_ lph lph lph nts om om_b om_b _beta oms met ssb bon cla a2k a04 a06 ackb eta _pair al ond e she one s WEIGHTS--> 15.0 5.0 5.0 30.0 20.0 15.0 5.0 4.0 5.0 5.0 10.0 5.0 70.0 2.0 300.0 2.0 2.0 2.0 10.0 5.0 10.0 50.0 100.0 1.0 0.5 1.0 T0371.try9-opt2.pdb.gz 8.0 8.8 8.8 89.9 60.4 48.6 17.3 3.4 -23.3 1.6 1.9 -0.7 2.4 0.0 9.5 1.1 1.3 1.4 0.0 -2.8 -4.0 -6.8 -11.1 0.0 0.0 0.0 216.02 T0371.try8-opt1.pdb 7.9 8.8 8.8 90.7 60.6 48.8 17.4 3.1 -23.3 2.7 1.9 -0.7 3.5 0.0 9.4 0.9 0.9 1.1 0.0 -2.8 -4.1 -6.3 -10.6 0.0 0.0 0.0 218.55 T0371.try9-opt2.repack-n 8.1 8.8 8.8 91.5 60.9 48.8 17.3 3.6 -22.4 1.6 1.9 -0.7 1.6 0.0 9.5 1.1 1.3 1.4 0.0 -2.8 -4.0 -6.8 -11.1 0.0 0.0 0.0 218.55 T0371.try5-opt2.pdb.gz 8.0 8.8 8.8 89.7 60.6 48.7 17.3 3.4 -23.0 2.4 1.9 -0.7 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61.0 48.8 17.3 3.3 -23.9 2.2 1.2 -0.6 7.5 0.1 18.9 0.3 0.3 0.4 0.0 -2.8 -4.1 -7.1 -12.1 0.0 0.0 0.0 228.37 T0371.try6-opt2.pdb.gz 7.9 8.9 8.8 89.7 60.6 48.7 17.4 3.1 -25.9 2.1 1.1 -0.9 10.0 0.0 19.2 0.6 0.7 0.8 0.0 -2.7 -4.2 -6.6 -11.0 0.0 0.0 0.0 228.37 T0371.try6-opt2.gromacs0 7.9 8.8 8.8 91.4 60.8 48.8 17.4 3.1 -20.1 2.8 2.4 -0.4 2.9 0.0 13.5 1.3 1.5 1.6 0.0 -2.7 -4.0 -6.5 -10.8 0.0 0.0 0.0 228.59 T0371.try9-opt2.gromacs0 8.0 8.9 8.9 90.6 60.7 48.7 17.3 3.4 -17.8 1.3 2.7 -0.4 1.3 0.0 13.0 1.8 2.0 2.2 0.0 -2.8 -3.9 -6.6 -10.6 0.0 0.0 0.0 228.84 T0371.try6-opt2.repack-n 7.9 8.9 8.8 91.8 60.6 48.8 17.4 3.2 -23.7 2.1 1.1 -0.9 6.8 0.0 19.2 0.6 0.7 0.8 0.0 -2.8 -4.2 -6.6 -11.0 0.0 0.0 0.0 229.60 T0371.try7-opt2.pdb.gz 8.0 8.9 8.8 89.6 59.8 48.4 17.3 3.3 -25.7 2.2 1.2 -0.6 14.6 0.1 18.9 0.3 0.3 0.4 0.0 -2.8 -4.1 -7.1 -12.1 0.0 0.0 0.0 229.84 T0371.try7-opt2.gromacs0 8.1 8.9 9.0 91.8 61.0 48.9 17.3 3.5 -16.7 1.5 2.4 -0.4 1.9 0.1 10.9 1.8 2.0 2.2 0.0 -2.7 -3.9 -6.8 -10.8 0.0 0.0 0.0 229.94 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