. 2014 Mar 21;70(Pt 4):1136–1146. doi: 10.1107/S1399004714001928

Table 2. Topological properties at bond critical points (BCPs) of Glu35 from static and dynamic densities. First line, ρ(BCP) (e Å⁻³); second line, ∇²ρ(BCP) (e Å⁻⁵).

Bond	ρ^stat _IAM(r)	ρ^stat _MP(r)	ρ^dyn _IAM(r)	ρ^dyn _MP(r)
Cⁿ⁻¹—N	1.81	2.29	1.75	1.76
Cⁿ⁻¹—N	−4.00	−23.48	17.38	15.87
N—H	1.84	2.30	—	—
N—H	−17.35	−39.03	—	—
C^α—N	1.48	1.75	1.58	1.59
C^α—N	2.14	−9.81	12.33	12.21
C^α—H^α	1.47	1.87	—	—
C^α—H^α	−8.70	−18.66	—	—
C^α—C	1.19	1.61	1.38	1.46
C^α—C	1.31	−9.12	10.65	8.35
C—O	2.14	2.71	2.53	2.30
C—O	6.91	−23.98	38.26	41.75
C—Nⁿ⁺¹	1.76	2.23	1.75	1.74
C—Nⁿ⁺¹	−2.94	−21.19	20.16	17.77
C^α—C^β	1.19	1.59	1.18	1.12
C^α—C^β	1.55	−8.78	4.18	5.03
C^β—H^β2	1.47	1.81	—	—
C^β—H^β2	−8.74	−16.94	—	—
C^β—H^β3	1.47	1.80	—	—
C^β—H^β3	−8.74	−16.95	—	—
C^β—C^γ	1.24	1.61	1.42	1.41
C^β—C^γ	1.09	−9.33	11.13	10.98
C^γ—H^γ2	1.47	1.81	—	—
C^γ—H^γ2	−8.75	−16.93	—	—
C^γ—H^γ3	1.47	1.81	—	—
C^γ—H^γ3	−8.74	−16.93	—	—
C^γ—C^δ	1.21	1.70	1.30	1.28
C^γ—C^δ	1.20	−11.45	14.15	14.91
C^δ—O^∊1	1.92	2.58	3.12	3.07
C^δ—O^∊1	−3.11	−30.88	13.93	16.90
C^δ—O^∊2	2.15	2.82	2.92	2.89
C^δ—O^∊2	8.12	−24.18	28.54	32.00
O_31⋯H_35—N_35	0.22	0.21	0.27	0.25
O_31⋯H_35—N_35	2.35	1.90	1.90	2.03
O^∊2_35⋯H_110—N_110	0.15	0.15	0.20	0.18
O^∊2_35⋯H_110—N_110	1.72	1.33	2.11	2.10
O_31⋯H^γ3_35—C^γ_35	0.08	0.07	0.11	0.10
O_31⋯H^γ3_35—C^γ_35	1.02	1.11	1.27	1.45
O^∊2_35⋯H^β3_110—C^β_110	0.07	0.05	0.09	0.08
O^∊2_35⋯H^β3_110—C^β_110	0.73	0.76	0.91	0.98
O_35⋯H^γ2_57—C^γ_57	0.07	0.06	0.09	0.08
O_35⋯H^γ2_57—C^γ_57	0.87	0.94	0.92	1.04
O^∊1_35⋯H^β3_57—C^β_57	0.06	0.05	0.08	0.07
O^∊1_35⋯H^β3_57—C^β_57	0.78	0.83	1.09	1.20
O^∊2_35⋯H^β2_108—C^β_108	0.04	0.04	0.07	0.07
O^∊2_35⋯H^β2_108—C^β_108	0.57	0.58	0.67	0.76
C^γ_57⋯H^β2_35—C^β_35	0.06	0.04	0.08	0.06
C^γ_57⋯H^β2_35—C^β_35	0.60	0.55	0.64	0.64

Table 2. Topological properties at bond critical points (BCPs) of Glu35 from static and dynamic densities. First line, ρ(BCP) (e Å−3); second line, ∇2ρ(BCP) (e Å−5).

Table 2. Topological properties at bond critical points (BCPs) of Glu35 from static and dynamic densities. First line, ρ(BCP) (e Å⁻³); second line, ∇²ρ(BCP) (e Å⁻⁵).