NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4628 8.1927 116.7968 58.3923 63.4461 174.8567 2 C 4.0629 8.6388 125.4738 59.0944 41.7601 173.2580 3 A 4.0274 8.8979 123.1750 55.4647 18.4920 179.1663 4 S 4.0654 8.0383 113.0944 61.7037 63.0200 176.7645 5 R 3.9004 7.9255 121.0394 59.6210 29.8304 177.9902 6 C 4.3489 8.4823 116.6071 59.7036 35.7230 175.9391 7 K 2.7156 8.3220 121.9449 59.0200 31.6325 179.1783 8 G 3.5030 7.8165 105.6133 47.8529 0.0000 175.1871 9 H 4.0423 8.1117 120.5023 59.1717 29.8743 176.6247 10 C 4.3103 8.1721 120.3686 59.6513 44.6884 175.5190 11 R 3.7811 7.8971 120.0796 59.3727 29.4449 178.3778 12 A 4.0333 8.2441 120.0408 54.6704 18.3571 178.7651 13 R 4.2154 7.5271 114.3153 55.2881 31.4836 176.2731 14 R 3.7907 8.1431 118.0006 57.9896 28.3987 174.5665 15 C 5.6294 8.2705 114.2960 55.4660 43.5551 176.2711 16 G 3.9284 9.1902 108.7070 46.5644 0.0000 172.9403 17 Y 5.1042 8.1363 121.9246 56.0746 42.4055 173.5346 18 Y 5.2940 7.8670 121.8426 55.8705 41.0701 173.8411 19 V 4.2328 8.7180 121.4327 61.2359 35.0452 174.5631 20 S 5.1832 8.1570 119.7842 57.3002 65.9781 173.5904 21 V 4.4932 9.1429 123.8201 61.3679 35.2260 172.6346 22 L 5.3566 8.7109 129.7729 53.6061 43.8207 174.8624 23 Y 4.6234 9.2121 126.7803 57.2841 41.9661 174.4645 24 R 3.5993 8.9408 125.0955 57.2781 28.6578 176.3376 25 G 3.8946 8.4662 100.4866 45.2939 0.0000 173.7527 26 R 4.5705 8.2856 119.5544 54.0613 32.5172 173.3624 27 C 5.2026 8.5072 123.7518 55.2906 46.6113 172.6920 28 Y 4.4578 9.6332 125.0962 56.7218 38.4529 173.9336 29 C 5.6083 8.5275 120.7241 55.2342 42.5396 173.1651 30 K 4.8164 9.0722 121.3474 55.5092 35.9280 173.7727 31 C 5.4997 8.7169 124.0697 55.1834 41.0866 172.7709 32 L 4.6547 9.1640 124.8648 53.3616 46.6130 175.5352 33 R 4.0564 8.2449 114.3413 58.1113 27.3287 177.4798 34 C 5.5029 7.9071 117.1847 56.5175 41.5099 174.5100 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 S 8.19 4.46 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.64 4.06 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 3 A 8.90 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.07 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.90 0.00 1.92 2.06 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 6 C 8.48 4.35 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 2.72 0.00 1.36 1.63 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.70 0.66 7.81 8 G 7.82 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.11 4.04 0.00 3.43 3.40 0.00 5.79 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 10 C 8.17 4.31 0.00 3.17 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 R 7.90 3.78 0.00 2.04 1.86 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 12 A 8.24 4.03 1.32 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 0.00 0.00 0.00 13 R 7.53 4.22 0.00 2.08 1.99 0.00 3.49 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.96 0.00 14 R 8.14 3.79 0.00 2.02 1.96 0.00 3.03 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 15 C 8.27 5.63 0.00 2.99 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.19 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 5.10 0.00 3.03 2.87 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 18 Y 7.87 5.29 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.72 4.23 2.06 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 0.96 0.00 0.00 0.86 0.00 0.00 20 S 8.16 5.18 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 9.14 4.49 2.12 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 0.80 0.00 0.00 0.89 0.00 0.00 22 L 8.71 5.36 0.00 1.75 1.60 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.21 4.62 0.00 3.00 2.83 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 0.00 0.00 0.00 24 R 8.94 3.60 0.00 1.69 2.00 0.00 3.43 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 25 G 8.47 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 0.00 0.00 0.00 26 R 8.29 4.57 0.00 1.92 2.14 0.00 3.01 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.29 0.00 27 C 8.51 5.20 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.63 4.46 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.53 5.61 0.00 2.84 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 K 9.07 4.82 0.00 1.86 1.62 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.48 7.81 31 C 8.72 5.50 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.16 4.65 0.00 1.74 1.61 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.24 4.06 0.00 2.21 2.01 0.00 3.23 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 34 C 7.91 5.50 0.00 2.97 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