NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2071 8.2993 121.7930 55.6598 33.9841 175.2859 2 R 4.2605 7.7791 115.0241 53.4414 29.8199 172.1910 3 R 4.7783 8.6901 124.7458 55.2461 34.5566 176.1175 4 W 4.5965 9.1468 116.8305 56.8801 28.7863 178.4749 5 K 4.3759 7.6228 120.2616 57.4515 31.0472 178.4523 6 K 4.0948 8.4939 123.8402 60.5685 32.7654 178.5250 7 N 4.2554 8.1309 117.7712 56.5728 39.0973 176.4208 8 F 4.3158 8.8976 122.3100 61.3502 39.2874 176.9688 9 I 3.0303 7.9981 118.2989 64.4050 37.1796 177.5526 10 A 3.9525 7.6021 120.6988 55.6972 18.1126 179.5877 11 V 3.4476 7.6753 115.1169 66.2975 31.5349 178.3359 12 S 3.9499 7.8555 112.5900 61.1029 62.0519 176.0404 13 A 3.9853 7.9783 123.3980 55.1998 18.1071 179.4783 14 A 3.9635 7.8060 118.6754 54.7430 18.5901 179.3419 15 N 4.2610 8.8134 116.1587 56.9127 39.1241 177.2749 16 R 3.9440 8.4711 119.8390 59.4449 29.9883 178.7447 17 F 3.8067 7.9767 115.7094 60.5858 39.1296 177.5678 18 K 4.1254 7.9678 118.4487 59.5548 31.9045 178.8075 19 K 3.8786 8.2850 118.7724 59.5218 32.0891 178.2978 20 I 3.7704 8.0927 119.9387 63.2340 37.0340 176.9763 21 S 3.6570 8.1644 109.1655 62.1689 61.6408 175.1140 22 S 4.3141 7.4351 114.8100 54.9113 68.4872 173.7303 23 S 3.6912 8.1797 116.1531 58.4083 60.4128 171.9301 24 G 4.2141 7.4738 105.6985 44.9373 0.0000 172.5241 25 A 4.3650 8.6735 125.0338 52.4080 17.3198 177.5873 26 L 4.2326 9.0495 121.6771 55.6979 41.8622 176.4123 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 K 8.30 4.21 0.00 1.75 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 2 R 7.78 4.26 0.00 2.00 1.91 0.00 3.11 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 R 8.69 4.78 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 4 W 9.15 4.60 0.00 3.33 3.34 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 5 K 7.62 4.38 0.00 1.85 1.77 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.68 7.81 6 K 8.49 4.09 0.00 1.97 2.14 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.56 7.81 7 N 8.13 4.26 0.00 2.78 2.95 0.00 0.00 6.88 7.77 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 F 8.90 4.32 0.00 3.20 3.40 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 9 I 8.00 3.03 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.84 0.00 0.00 10 A 7.60 3.95 1.35 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 0.00 0.00 11 V 7.68 3.45 2.20 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 1.10 0.00 0.00 0.95 0.00 0.00 12 S 7.86 3.95 0.00 3.09 3.54 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 13 A 7.98 3.99 1.29 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 14 A 7.81 3.96 1.27 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 15 N 8.81 4.26 0.00 2.83 2.99 0.00 0.00 7.15 7.89 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 16 R 8.47 3.94 0.00 2.08 2.02 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 17 F 7.98 3.81 0.00 3.16 3.20 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 18 K 7.97 4.13 0.00 1.85 2.10 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 19 K 8.29 3.88 0.00 1.77 1.95 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 20 I 8.09 3.77 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.41 0.77 0.00 0.00 21 S 8.16 3.66 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.44 4.31 0.00 3.81 3.73 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 23 S 8.18 3.69 0.00 3.99 3.89 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 24 G 7.47 4.21 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 25 A 8.67 4.36 1.06 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 26 L 9.05 4.23 0.00 1.64 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00