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Similar to Fig. 6, but for the M5C+D3 model. To be consistent with Fig. 6, the results here only include charges for the sidechain atoms. Results include backbone charges for the M5C+D3 model are shown in Fig. S14 in the Supporting Information; results computed with DFT/MM single point calculations are also included in the Supporting Information (Figs. S15–S18).
