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Typical α- and β-amino acid residues in α/β peptides. A: Favorable overlap between n- and the π*-orbital in an α-amino acid residue. B: Unfavorable overlap between n- and the π-orbital in a β-amino acid residue. Orbital images were obtained using computational methods described previously 11 on residues in CCDC refcode OGAVAU capped with acetyl and N-methylamino groups.
