NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3434 8.4449 118.8027 56.2202 30.9645 174.4179 2 E 4.4446 8.6983 118.8949 54.1081 30.7957 174.3523 3 W 4.9311 8.7975 123.8159 54.7592 32.5443 174.5922 4 E 4.2937 8.6157 122.6494 54.9754 29.8795 175.7612 5 V 3.7074 8.1621 126.5135 62.2604 32.0187 175.2709 6 L 4.3371 8.1338 126.5966 55.8597 42.8235 177.5691 7 C 4.6851 7.2002 113.8847 55.3446 44.2847 173.8829 8 W 4.5087 8.6730 124.3271 59.0450 29.2214 176.5886 9 T 4.5822 7.2803 103.8700 59.1915 71.7006 173.9343 10 W 4.5698 8.4472 121.9204 60.0562 29.3029 178.7793 11 E 4.1126 8.4765 116.8668 58.9384 29.0038 177.6350 12 T 4.4609 7.5296 106.5075 61.2045 69.2763 173.6053 13 C 4.5400 7.9886 123.4276 56.5083 44.2309 172.6190 14 E 4.8706 8.4627 125.2469 54.8360 33.0163 175.4133 15 R 4.1476 8.4524 121.8118 56.8884 30.0332 174.3425 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 E 8.44 4.34 0.00 2.27 2.15 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 2.36 2.76 0.00 2 E 8.70 4.44 0.00 2.12 1.99 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 2.26 2.37 0.00 3 W 8.80 4.93 0.00 3.18 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 4 E 8.62 4.29 0.00 1.93 1.83 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 2.19 2.26 0.00 5 V 8.16 3.71 1.39 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 -0.47 0.00 0.00 0.69 0.00 0.00 6 L 8.13 4.34 0.00 1.56 1.61 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.20 4.69 0.00 2.62 2.72 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 8 W 8.67 4.51 0.00 3.24 3.10 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 9 T 7.28 4.58 4.42 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 1.24 0.00 0.00 10 W 8.45 4.57 0.00 3.44 3.26 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 E 8.48 4.11 0.00 2.00 2.08 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 2.38 2.47 0.00 12 T 7.53 4.46 4.32 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 1.26 0.00 0.00 13 C 7.99 4.54 0.00 3.25 3.35 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 14 E 8.46 4.87 0.00 1.95 1.79 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 2.23 2.30 0.00 15 R 8.45 4.15 0.00 1.76 1.75 0.00 3.44 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00