NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2219 8.1693 122.4909 54.7866 43.1052 175.3271 2 L 4.1205 8.2106 118.7151 53.4376 41.2808 174.6433 3 T 3.9863 8.0164 109.2209 60.9786 69.8247 173.1538 4 P 4.5440 0.0000 0.0000 61.0642 32.5883 173.5137 5 P 4.4604 0.0000 0.0000 61.5084 31.6934 173.6001 6 P 4.4758 0.0000 0.0000 61.4821 31.7005 174.0919 7 P 4.4478 0.0000 0.0000 61.7432 31.5925 174.4137 8 P 4.3469 0.0000 0.0000 62.3507 31.7407 176.0379 9 L 4.0502 8.3619 122.8239 55.0606 42.5434 176.5913 10 F 4.1971 8.7068 128.0106 57.1975 40.1125 173.0085 11 P 4.2698 0.0000 0.0000 61.4141 31.7067 174.7274 12 P 4.5287 0.0000 0.0000 61.9539 31.7463 174.2029 13 P 4.5163 0.0000 0.0000 62.8741 31.8701 176.4285 14 F 4.3830 8.1886 123.2222 57.5916 40.4126 174.0250 15 F 4.2444 7.3103 121.9825 57.4276 36.9838 173.9923 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 L 8.17 4.22 0.00 1.60 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.21 4.12 0.00 1.86 1.70 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.02 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 P 0.00 4.54 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 5 P 0.00 4.46 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 6 P 0.00 4.48 0.00 2.21 2.13 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 7 P 0.00 4.45 0.00 2.24 2.13 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 8 P 0.00 4.35 0.00 2.21 2.11 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 9 L 8.36 4.05 0.00 1.63 1.64 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.71 4.20 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.27 0.00 1.78 1.76 0.00 2.20 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 12 P 0.00 4.53 0.00 2.20 2.08 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 13 P 0.00 4.52 0.00 1.98 2.25 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 14 F 8.19 4.38 0.00 2.85 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.31 4.24 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00