Table 3. RMSF per Hot-Spot Residue for the Six Simulations^a.

		N1ao	N1ac	N1ho	N1hc	N9a	N9h
Sialic Acid Region
R	118	0.57	0.54	0.51	0.51	0.42	0.48
E	119	0.56	0.55	0.65	0.61	0.44	0.48
R	224	0.47	0.49	0.48	0.61	0.42	0.43
E	227	0.48	0.53	0.52	0.65	0.44	0.45
S	246	1.13	1.01	1.02	1.31
E	277	0.57	0.6	0.49	0.56	0.47	0.41
R	371	0.77	0.78	0.83	0.8	0.79	0.73
Y	406	0.47	0.55	0.48	0.54	1	0.55
150-Loop Region
V	116	0.68	0.64	0.49	0.69	0.51	0.55
Q	136	0.81	0.74	0.87	0.77	0.78	0.79
V	149	2.31	1.53	1.21	2.82
D	151	1.52	0.99	0.71	1.66	0.98	0.69
R	152	1.26	0.96	0.79	1.32	0.95	0.79
S	153	1.22	0.94	0.83	1.23	0.97	0.85
P	154	1.24	0.98	0.93	1.22
R	156	0.69	0.64	0.59	0.62	0.54	0.59
W	178	0.56	0.5	0.77	0.57	0.44	0.44
S	179	0.48	0.47	0.66	0.51	0.4	0.41
S	195	0.64	0.6	0.64	0.79	0.54	0.56
G	196	0.77	0.76	0.81	1.19	0.72	0.74

^aThe first column lists the residue type, the second column lists the residue number, and the third through eighth columns list the RMSF per residue for the N1-apo-open, N1-apo-closed, N1-holo-open, N1-holo-closed, N9-apo, and N9-holo systems, respectively.