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. 2014 May 6;10(7):2729–2737. doi: 10.1021/ct500250f

Table 1. Final Parameters for the Asp and Glu Models.

  Asp Glu   Asp Glu
B 0.579 671 1.013 770 Vii –150.505 417 –150.291 915
b 1.506 881 1.418 695 c1 –25.099 920 –25.013 330
b 0.000 108 1.084 593 c2 2.799 262 3.018 957
dOO0 2.4 2.4 c3 1.299 994 1.280 649
C 0.579 841 0.987 714 D 143.003 143.003
c 0.931 593 1.146 188 α 1.8 1.8
dOH0 1.0 1.0 r0 0.975 0.975
rs 3.5 3.5      
rs 4.0 4.0