Table 2.

ET reaction rates from experiment, $k/k_{\mathrm{W}\mathrm{T}}$; Marcus theory under the assumptions of Eq. 2, $k_{\mathrm{M}\mathrm{T}}/k_{\mathrm{M}\mathrm{T}}^{\mathrm{W}\mathrm{T}}$; and KC-RPMD, $k_{\mathrm{K}\mathrm{C}}/k_{\mathrm{K}\mathrm{C}}^{\mathrm{W}\mathrm{T}}$, as well as the reorganization energy and average electronic coupling from KC-RPMD

Mutant	$k/k^{\mathrm{W}\mathrm{T}}$	$k_{\mathrm{M}\mathrm{T}}/k_{\mathrm{M}\mathrm{T}}^{\mathrm{W}\mathrm{T}}$	$k_{\mathrm{K}\mathrm{C}}/k_{\mathrm{K}\mathrm{C}}^{\mathrm{W}\mathrm{T}}$	${\lambda }_{\mathrm{K}\mathrm{C}}$	${⟨H_{\mathrm{A}\mathrm{B}}⟩}_{\mathrm{K}\mathrm{C}}$
WT	1.0	1.00	1.00	0.78	$3.1$
N47D	0.5(1)	0.76(8)	0.75(2)	0.78	$3.1$
N47S	0.23(5)	0.63(7)	0.88(4)	0.77	$3.4$
N47L	1.9(5)	0.56(7)	1.71(6)	0.78	$5.3$

Units for λ_KC and ⟨H_AB⟩ are eV and 10⁻⁵ eV, respectively. Statistical error for these is smaller than the last reported digit.