Figure shows the collective φ/ψ distributions from the dipeptide MD simulations, along with the main expected protein conformational propensities. As discussed in Section S9 of the Supporting Information, it is important to consider the dihedral distributions present as well as the J coupling data. Encouragingly, the φ/ψ distribution for the dipeptides show that the major conformations present in protein structures are sampled in the QUBE MD simulations. The ζ conformation does have a slightly lower ψ angle than suggested, and there is an additional region with very low occupancy to the right of the γ conformation.