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Potential energy surfaces (upper panels) and crystallographic probability distributions for the α, β, γ, ε and ζ dihedrals. Energy surfaces obtained at the MP2/6–31+G(d) level with the sugar puckers fixed as described in the text and the surfaces in each panel are offset to the global minimum energy conformation in that panel (BI minimum in all cases). Probability distributions from a survey of the NDB for A form DNA and from Djuranovic and Hartmann 93 for the BI and BII forms of DNA.
