remark goes here MASS FA 55.0 FC 55.0 S2 32.6 S3 32.6 S1 32.6 BOND FA-S2 68.5 2.27 FA-S3 52.5 2.33 FC-S2 79.0 2.24 FC-S3 64.0 2.27 FA-S1 56.2 2.35 FC-S1 68.9 2.32 S1-CT 155.3 1.82 ANGLE CT-S1-FA 8.6 105.1 CT-S1-FC 8.6 105.1 FA-S2-FC 13.5 73.8 FA-S3-FA 14.4 68.8 FA-S2-FA 18.0 69.8 FA-S3-FC 9.8 72.0 S1-FA-S2 11.0 110.6 S1-FA-S3 5.0 112.0 S1-FC-S2 8.4 110.8 S1-FC-S3 17.6 114.2 S2-FA-S2 10.0 116.0 S2-FA-S3 11.8 104.0 S2-FC-S2 6.64 112.9 S2-FC-S3 13.00 104.0 H1-CT-S1 50.0 109.50 AA cys changed based on NMA nmodes CT-CT-S1 50.0 114.70 AA cyx (SCHERAGA JPC 79,1428) DIHE S2-FA-S3-FC 1 0.000 0.000 0.000 S2-FA-S3-FA 1 0.000 0.000 0.000 S3-FA-S2-FA 1 0.000 0.000 0.000 S3-FA-S2-FC 1 0.000 0.000 0.000 FA-S2-FA-S3 1 0.000 0.000 0.000 FA-S2-FC-S3 1 0.000 0.000 0.000 S2-FA-S2-FA 1 0.000 0.000 0.000 S2-FA-S2-FC 1 0.000 0.000 0.000 S1-FA-S2-FA 1 0.000 0.000 0.000 S1-FC-S2-FA 1 0.000 0.000 0.000 S1-FC-S2-FC 1 0.000 0.000 0.000 S1-FA-S3-FA 1 0.000 0.000 0.000 S1-FA-S3-FC 1 0.000 0.000 0.000 S1-FC-S3-FA 1 0.000 0.000 0.000 CT-S1-FA-S2 1 0.000 0.000 0.000 CT-S1-FC-S2 1 0.000 0.000 0.000 CT-S1-FA-S3 1 0.000 0.000 0.000 CT-S1-FC-S3 1 0.000 0.000 0.000 CT-CT-S1-FA 1 0.000 0.000 0.000 CT-CT-S1-FC 1 0.000 0.000 0.000 H1-CT-S1-FA 1 0.000 0.000 0.000 H1-CT-S1-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S1-FA-S2-FC 1 0.000 0.000 0.00 S2-FC-S2-FA 1 0.000 0.000 0.00 S2-FC-S3-FA 1 0.000 0.000 0.00 S2-FC-S3-FA 1 0.000 0.000 0.00 S2-FC-S2-FA 1 0.000 0.000 0.00 S2-FC-S3-FA 1 0.000 0.000 0.00 S2-FC-S3-FA 1 0.000 0.000 0.00 IMPROPER NONBON FA 1.20000 0.05000 0.00000 FC 1.20000 0.05000 0.00000 S2 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's S3 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's S1 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's