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. Author manuscript; available in PMC: 2022 Nov 3.
Published in final edited form as: Phys Chem Chem Phys. 2011 Mar 9;13(15):6955–6969. doi: 10.1039/c0cp02487b

Table 3.

The absolute deviation from 90° of the angle between the dipole vector for an amino acid i, μ{aa},i, and the dipole vector for the entire protein μ5ZNF was averaged over all timesteps and all amino acids (Δα).

x H2O Δα(μ5ZNF,μ{aa},i)[]
1 20.4
0.927 30.1
0.854 33.1
0.751 35.5
0.675 36.4