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(a) A plot over the entire MD simulation depicting the angle for nucleophilic attack of the 2′-oxygen of residue C17 on the phosphorus of residue A1.1. The average attack angle for the production dynamics portion of the simulation is 140°. (b) A plot of the attack distance between the C17 2′-oxygen and the A1.1 phosphorus. The average distance is 3.43 Å.
