Table 2: Calculated bond lengths (in angstrom) for the peptide planes of the dipeptides; the gas phase values are given in brackets.

DipeptidesC3–C4C4=O11C4–N6N6–H10N6–C7

Sec-Val1.540 (1.541)1.232 (1.223)1.349 (1.358)1.013 (1.011)1.448 (1.448)
Sec-Leu1.538 (1.541)1.233 (1.224)1.347 (1.356)1.013 (1.012)1.450 (1.448)
Sec-Asp1.539 (1.540)1.230 (1.221)1.353 (1.364)1.015 (1.014)1.446 (1.446)
Sec-Ser1.540 (1.543)1.230 (1.221)1.353 (1.361)1.015 (1.013)1.451 (1.455)
Sec-Gln1.538 (1.540)1.232 (1.223)1.348 (1.357)1.013 (1.012)1.452 (1.448)
Sec-His1.541 (1.543)1.230 (1.221)1.354 (1.361)1.015 (1.013)1.454 (1.456)
Sec-Pyl1.539 (1.542)1.233 (1.224)1.348 (1.357)1.014 (1.013)1.449 (1.449)

Average1.539 (1.541)1.231 (1.222)1.350 (1.359)1.014 (1.013)1.450 (1.450)
MDa0.002 (0.002)0.002 (0.002)0.004 (0.005)0.001 (0.002)0.004 (0.006)

Maximum deviation from average values.