NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2518 8.1727 120.1341 56.5761 34.2923 177.0681 3 V 3.2927 7.7864 115.8540 62.8999 31.4659 178.1887 4 R 3.1368 7.9972 116.0091 57.7928 32.9077 174.5918 5 S 4.8079 12.0000 114.1753 58.2218 64.4052 174.3626 6 S 4.3058 9.1361 120.2605 58.5208 59.2046 167.5735 7 V 4.4203 8.1703 123.6547 62.0244 33.6846 176.4086 8 K 4.3173 8.5657 123.7286 56.7325 34.0196 172.7246 9 K 3.6704 8.3937 117.2023 57.3772 30.4546 175.0427 10 M 4.5982 8.6593 128.7859 56.0074 30.8303 177.0561 11 C 3.8451 7.9500 121.7813 52.8881 44.9858 174.6099 12 D 4.7429 8.4654 117.4295 55.0408 39.6833 176.5802 13 N 4.5872 8.5006 116.1621 55.4723 41.9310 175.6962 14 C 3.8616 7.0662 115.0346 54.3385 31.8989 174.0332 15 K 4.3393 12.0000 124.4601 55.6458 34.1053 176.3605 16 V 4.1600 8.2564 121.0839 61.6286 32.3239 174.5806 17 V 4.4717 8.2030 127.3068 60.9721 34.9824 174.8086 18 R 5.1860 8.8119 122.8616 53.6365 31.2942 175.5523 19 R 4.4575 8.2948 119.8893 55.3790 30.6169 175.4616 20 H 3.8477 9.0738 121.6146 56.9797 25.3868 178.0538 21 G 4.5149 8.3468 107.9131 47.0607 0.0000 174.7623 22 R 3.9088 8.7139 118.3371 56.5890 30.6897 175.6672 23 V 5.1814 8.1248 118.8970 60.2135 33.1310 174.8794 24 L 4.7372 8.2848 126.7706 52.5490 44.4784 176.7310 25 V 3.9026 8.1024 124.1044 64.0142 32.0763 175.4544 26 I 4.7349 8.2094 125.5495 59.7301 41.6955 174.0010 27 C 4.9735 8.5311 124.5067 58.8174 33.9045 174.1621 28 S 4.4798 8.6247 122.0547 57.4304 62.1130 174.6205 29 N 4.8965 10.9700 117.3495 53.0842 42.4823 176.3224 30 V 3.6574 8.6922 123.2768 65.5005 31.9374 176.0306 31 K 4.9278 7.6301 118.9824 55.9062 31.9893 176.4196 32 H 4.8278 8.3399 113.1441 56.9899 36.4396 174.4017 33 K 4.3020 7.2888 121.8077 55.4917 31.7450 176.6028 34 Q 4.1581 10.7000 121.6019 56.4200 30.2350 175.6942 35 R 4.9224 8.3408 124.8058 55.3994 33.5806 174.4092 36 Q 5.0106 8.2643 120.7462 55.2168 29.4890 175.1988 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 2 K 8.17 4.25 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 V 7.79 3.29 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 1.00 0.00 0.00 0.93 0.00 0.00 4 R 8.00 3.14 0.00 2.00 1.89 0.00 3.11 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 5 S 12.00 4.81 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.14 4.31 0.00 4.08 4.34 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 7 V 8.17 4.42 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 0.89 0.00 0.00 1.03 0.00 0.00 8 K 8.57 4.32 0.00 1.72 1.69 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.50 7.81 9 K 8.39 3.67 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.43 7.81 10 M 8.66 4.60 0.00 2.26 1.74 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 11 C 7.95 3.85 0.00 3.10 3.12 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 12 D 8.47 4.74 0.00 2.68 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 13 N 8.50 4.59 0.00 2.56 2.73 0.00 0.00 6.98 7.27 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 14 C 7.07 3.86 0.00 2.96 3.19 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 K 12.00 4.34 0.00 1.77 1.73 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 16 V 8.26 4.16 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 0.77 0.00 0.00 0.93 0.00 0.00 17 V 8.20 4.47 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 0.96 0.00 0.00 0.93 0.00 0.00 18 R 8.81 5.19 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 19 R 8.29 4.46 0.00 1.97 1.95 0.00 3.13 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 20 H 9.07 3.85 0.00 3.43 3.48 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.35 4.51 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 22 R 8.71 3.91 0.00 2.27 1.90 0.00 3.06 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 23 V 8.12 5.18 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 1.05 0.00 0.00 1.00 0.00 0.00 24 L 8.28 4.74 0.00 1.51 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.10 3.90 2.07 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 0.76 0.00 0.00 0.60 0.00 0.00 26 I 8.21 4.73 1.87 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 1.12 0.92 0.91 0.00 0.00 27 C 8.53 4.97 0.00 2.92 2.63 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 S 8.62 4.48 0.00 4.02 3.97 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 29 N 10.97 4.90 0.00 3.12 2.86 0.00 0.00 6.69 7.56 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 V 8.69 3.66 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 0.99 0.00 0.00 0.93 0.00 0.00 31 K 7.63 4.93 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 32 H 8.34 4.83 0.00 3.40 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.29 4.30 0.00 1.64 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.59 7.81 34 Q 10.70 4.16 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 35 R 8.34 4.92 0.00 1.81 1.80 0.00 3.22 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 36 Q 8.26 5.01 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00