This file gives the conformational comparisons and the experimental energy/ enthalpy/free-energy differences for 19 comparisons to experiment taken from Gundertofte et. al. The energy difference is E(Conf 1) - E(Conf 2). Conf 1 Conf 2 Expt. -------------------------- AR26A AR26B 1.040 AR27A AR27B 2.870 HL11B HL11A 1.100 HL11C HL11A 1.500 HL12A HL12B 0.160 HL13A HL13B 0.500 HL14A HL14B 0.700 HL15A HL15B 0.590 HL16A HL16B 0.930 HL17A HL17B 1.500 HL18A HL18B 1.140 HL19A HL19B 0.800 HL20A HL20B 0.880 NH24A NH24B 2.500 NH25A NH25B 1.600 NH26A NH26B 1.930 NH27A NH27B 1.310 RA17A RA17B 2.580 RA18A RA18B 5.500