NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5452 8.2893 120.3278 55.4385 33.4565 175.4786 2 T 4.1850 8.6890 113.3571 60.1343 71.6287 174.4436 3 I 3.6655 8.9705 122.1096 64.9537 37.4962 179.5743 4 D 4.4060 8.0643 118.9002 57.4454 40.5709 178.6553 5 E 4.0315 8.1499 118.7104 59.2228 29.4402 179.3478 6 I 3.6993 8.0254 120.1631 64.4170 37.1016 178.4734 7 I 3.7150 7.8019 120.5331 64.5509 36.7363 178.3650 8 E 4.4664 8.2965 119.2069 58.8419 29.3978 179.0187 9 A 4.1456 8.2420 121.1459 55.1271 18.4548 179.7986 10 I 3.6886 7.9272 118.3695 64.6190 37.1831 178.4939 11 E 4.0355 8.6055 119.6197 58.8175 29.0352 178.6584 12 K 4.4072 7.3981 116.1867 55.7767 32.7932 176.9328 13 L 4.3260 7.1066 119.7538 54.4496 42.4453 177.1789 14 T 4.3573 8.6241 111.9471 60.7567 71.4341 176.1155 15 V 3.5960 8.1918 120.2478 66.2427 31.3579 178.0152 16 S 4.1773 8.0370 113.4235 61.4775 62.7900 176.1084 17 E 4.0384 8.0346 121.6671 58.7323 29.2166 178.8935 18 L 3.9307 8.0193 120.5668 58.0613 42.1843 178.8761 19 A 4.0359 7.9801 120.5798 55.0924 18.2911 179.5066 20 E 3.9099 8.0236 117.2141 59.2929 29.5441 179.0120 21 L 3.8922 8.0531 120.5007 58.4279 42.1557 179.1917 22 V 3.6113 7.8645 117.8674 65.7826 31.4699 177.7390 23 K 4.0237 8.0269 119.2171 59.7498 32.1228 178.9563 24 K 3.9956 8.5607 118.9140 59.3675 31.8943 179.4464 25 L 4.0782 8.1312 119.4372 57.7716 41.4707 179.3236 26 E 4.0563 8.3076 118.6063 59.3633 29.1568 179.0418 27 D 4.3128 7.7421 117.7223 57.2913 41.0286 178.5531 28 K 3.8200 7.7261 118.3530 59.1196 32.2520 177.9365 29 F 4.7878 8.3737 116.0147 57.2230 40.2136 176.1078 30 G 4.3958 8.2796 111.6474 45.9127 0.0000 172.7948 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 M 8.29 4.55 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 T 8.69 4.19 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 3 I 8.97 3.67 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.83 0.91 0.00 0.00 4 D 8.06 4.41 0.00 2.72 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 5 E 8.15 4.03 0.00 2.25 2.00 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 2.33 2.35 0.00 6 I 8.03 3.70 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.92 0.00 0.00 7 I 7.80 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.91 0.00 0.00 8 E 8.30 4.47 0.00 2.16 2.02 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 2.35 2.19 0.00 9 A 8.24 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.93 3.69 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.92 0.00 0.00 11 E 8.61 4.04 0.00 2.13 2.01 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 2.33 2.62 0.00 12 K 7.40 4.41 0.00 1.68 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.74 7.81 13 L 7.11 4.33 0.00 1.74 1.61 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.62 4.36 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 15 V 8.19 3.60 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 1.08 0.00 0.00 0.93 0.00 0.00 16 S 8.04 4.18 0.00 4.09 4.11 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 17 E 8.03 4.04 0.00 2.29 2.04 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 2.33 2.31 0.00 18 L 8.02 3.93 0.00 1.90 1.80 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.98 4.04 1.34 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 0.00 0.00 20 E 8.02 3.91 0.00 2.18 2.01 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 2.33 2.46 0.00 21 L 8.05 3.89 0.00 1.94 1.85 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.86 3.61 2.23 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 0.96 0.00 0.00 0.98 0.00 0.00 23 K 8.03 4.02 0.00 2.01 2.02 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 24 K 8.56 4.00 0.00 2.00 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 L 8.13 4.08 0.00 1.94 1.89 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.31 4.06 0.00 2.18 2.02 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 2.37 2.57 0.00 27 D 7.74 4.31 0.00 2.80 2.68 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 28 K 7.73 3.82 0.00 1.46 1.50 0.00 1.17 0.00 0.00 1.22 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.98 7.81 29 F 8.37 4.79 0.00 3.14 3.02 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 30 G 8.28 4.40 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 0.00 0.00 0.00