TABLE 7.

Relaxation free energies

	*					†
	1.0	2.0	3.0	4.0	8.0
Asp-26	−15.3(1.9)	−45.7(0.9)	−55.9(0.5)	−61.2(0.2)	–	−56.1	−36.3
Asp-14	−44.7(6.2)	−60.4(3.6)	–	−68.3(1.8)	−72.2(0.8)	−71.0	−62.3
Asp-20	−72.8(1.7)	−75.4(1.1)	−75.8(0.0)	−76.2(0.7)	–	−76.3	−73.9

^*Free energies in kcal/mol. The relaxation free energies were calculated by Eq. 12. Values underlined indicate which dielectric constants give agreement (in the sense of Eq. 11, with “reac” ≡ ASP and “prod” ≡ ASPH) between static and relaxation free energies. Statistical uncertainty in parentheses. Results for the two endpoints ASP, ASPH agree within the uncertainty, so that a single average value is reported for both states.

^†A correction, added to the static terms of Table 1 to enable comparison with the MDFE derivatives, is omitted here (see footnote of Table 1). Thus, the reported static term differences differ from the values that would be calculated from Table 1 (see text).