Table 2. Pathway Distance Dependence of H_DA for Green and Blue Models.

	blue			green
H-bond distance (Å)	P–P1–P2	P–P1	P–P1–P2a	P–P1–P2	P–P1
2.6	9.2	10.9	10.7	18.9	1.0
2.8	6.9	8.7	8.3	16.4	1.1
3.1	3.5	4.9	4.8	11.9	1.7
3.3	1.1	2.1	2.3	8.7	2.2
3.5				5.9	2.6
3.9				1.1	3.4
2.8b	2.2b			5.8b
2.8c	5.5c			0.4c

^aCovalency corrected using a slope of 0.25 cm^–1/%S(p).

^bT2(NiR).

^cT2(NiR), P2 rotates to 75°.