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Definitions of the dihedrals investigated in this work. (a) (Ala)3 ϕ/ψ MM energy surfaces. ϕs/ψs MM energy surfaces for (b) Ser α-GalNAc and (c) Ser β-GalNAc. In all figures the left panel depicts the un-scaled energy surface while the right panel depicts the scaled energy surface using a 60% scaled bpCMAP.
