Table 2. Statistics for accepted structures.

	Without hydrogen bond restraints	With hydrogen bond restraints
No. of structures accepted from 50	28	39
Mean CNS energy term (kcal/mol ± SD)
E (total)	226.6 ± 11.3	314.4 ± 17.7
E(van der Waals)	100.8 ± 6.1	130.9 ± 9.4
E (NOE)	41.8 ± 3.0	62.8 ± 5.2
rmsd from the ideal geometry used within CNS
Bond lengths	0.0027 Å	0.0033 Å
Bond angles	0.44°	0.51°
Improper angles	0.37°	0.48°
Average atomic (N, Cα, C) rmsd from the average structure (±SD)
Residues 420-480	0.76 ± 0.23 Å	0.75 ± 0.15 Å
Residues 420-470	0.40 ± 0.09 Å	0.38 ± 0.10 Å