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. Author manuscript; available in PMC: 2010 Sep 2.
Published in final edited form as: J Phys Chem B. 2009 Sep 3;113(35):12037–12049. doi: 10.1021/jp901504r

Figure 6.

Figure 6

Ramachandran plots of the peptide amino acid residues: (a) the crystal structure;41 (b) trajectory u1; (c) u2; (d) u3; and (e) r. The dihedral values plotted are time averages. The number corresponds to the residue number in Figure 1. The ψ8 angle is defined on the basis of the N–C–C–O dihedral angle, with the O atom being the ester oxygen associated with the OtBu group. The dashed box indicates the range of ±11° centered at (φ, ψ) = (−57°, −30°).