NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3926 8.1133 119.6558 56.1153 32.2615 173.9353 5 E 4.8273 8.4191 119.8122 53.3469 32.6588 174.4155 6 C 4.1846 9.7146 125.0288 59.6590 32.6881 173.8522 7 D 4.5013 8.7069 126.5852 55.9422 39.7514 175.7351 8 Y 4.4028 7.0822 118.1086 58.7668 41.3741 175.9768 9 C 4.0327 8.1219 115.0083 59.1487 30.7956 175.6369 10 G 3.9540 8.0509 108.4578 45.0177 0.0000 173.4272 11 T 4.3634 7.5814 109.8152 61.3019 70.8056 173.1058 12 D 4.9762 8.4740 121.9514 53.7807 41.4625 176.7142 13 I 3.9149 8.2944 125.8345 60.7465 37.4322 176.0152 14 E 3.8879 8.9832 128.6637 55.6093 29.8106 174.9816 15 P 4.2557 0.0000 0.0000 64.4033 31.6322 175.9685 16 G 3.8502 9.6451 108.0909 46.5871 0.0000 172.9301 17 T 4.5049 7.6789 113.8895 62.7712 72.6874 174.2843 18 G 4.1371 8.7893 109.0508 45.7795 0.0000 172.6781 19 T 4.7990 8.2393 114.0760 61.7538 72.5732 173.0430 20 M 4.9945 8.7772 124.5191 53.8960 34.2824 174.4677 21 F 4.7744 9.4314 129.6817 56.7535 41.2986 174.7435 22 V 3.9859 7.7651 127.2615 61.7555 31.5231 175.3335 23 H 4.1335 8.9043 126.4519 55.0570 29.5304 177.0094 24 K 3.9408 8.7127 121.6085 59.7777 31.9547 177.8666 25 D 4.4191 7.9714 116.2348 54.6064 39.5659 175.9551 26 G 3.6567 7.7485 108.3950 45.3980 0.0000 174.2577 27 A 4.1466 8.6986 122.8805 53.0112 19.4785 176.6966 28 T 5.0417 8.4245 115.7560 62.1066 71.9872 174.2527 29 T 4.5996 8.6421 120.9617 62.2364 72.4594 172.6912 30 H 4.9958 9.5392 125.4855 55.1771 30.1728 174.7044 31 F 5.3306 9.4500 122.6063 55.8361 41.2204 176.7306 32 C 4.2989 9.1777 117.4796 60.7395 30.2407 173.6604 33 S 4.5951 7.6527 113.8859 56.2087 66.1898 175.7588 34 S 4.1529 8.3662 118.2078 60.7824 62.6478 176.0206 35 K 3.7228 8.0820 122.8791 59.6390 31.7794 178.1926 36 C 4.1725 7.6215 116.6686 62.7639 28.1471 175.7419 37 E 2.6721 7.4434 119.9688 59.3447 28.7741 179.3794 38 N 4.2952 7.9394 115.0055 56.2473 38.8213 177.0287 39 N 4.5120 7.9166 117.3391 56.2311 38.7610 177.3726 40 A 4.3568 7.6520 122.1089 55.2044 18.1890 179.3400 41 D 4.3467 7.6825 116.5640 56.7490 40.9612 177.8997 42 L 4.3542 7.5389 117.4941 54.6820 41.9001 177.6871 43 G 3.9767 7.7466 107.0611 45.3878 0.0000 173.9734 44 R 4.2070 7.7608 118.3720 55.6330 31.1173 175.5758 45 E 4.4648 8.5948 121.4182 54.4532 30.9503 176.7804 46 A 3.6270 8.1650 127.0356 55.2441 18.3170 179.5334 47 R 3.8476 7.6663 113.0636 58.5539 30.2420 177.1277 48 N 4.4923 8.1831 114.0250 53.3545 39.3117 174.8697 49 L 4.3545 7.2087 119.9029 52.8377 41.7724 176.9261 50 E 3.8618 8.8996 124.9455 59.1677 29.4739 178.7391 51 W 4.4492 7.8013 113.2344 57.9627 28.9900 176.4346 52 T 3.9431 7.3340 118.2171 63.0374 68.5148 175.4755 53 D 4.6783 8.5702 125.0948 57.2414 41.2497 177.9491 54 T 3.8348 7.6507 114.8362 66.6305 68.4996 175.5598 55 A 3.9931 7.6366 123.0006 54.2598 18.6263 177.2761 56 R 4.1926 8.5377 116.5438 56.1701 29.7100 176.0469 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 4 R 8.11 4.39 0.00 1.76 1.88 0.00 2.90 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 5 E 8.42 4.83 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 6 C 9.71 4.18 0.00 3.03 2.91 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 7 D 8.71 4.50 0.00 2.62 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 8 Y 7.08 4.40 0.00 2.87 2.97 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 9 C 8.12 4.03 0.00 3.18 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 3.95 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 0.00 0.00 0.00 11 T 7.58 4.36 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 12 D 8.47 4.98 0.00 2.61 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 13 I 8.29 3.91 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.97 0.00 0.00 14 E 8.98 3.89 0.00 1.93 1.92 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 2.32 2.40 0.00 15 P 0.00 4.26 0.00 2.22 2.06 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.65 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 0.00 0.00 0.00 17 T 7.68 4.50 4.56 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 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.79 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.80 4.35 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 1.30 0.00 0.00 20 M 8.78 4.99 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.34 0.00 21 F 9.43 4.77 0.00 3.31 3.21 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 22 V 7.77 3.99 1.85 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 0.72 0.00 0.00 0.83 0.00 0.00 23 H 8.90 4.13 0.00 3.36 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.71 3.94 0.00 1.75 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 25 D 7.97 4.42 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.70 4.15 1.21 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 28 T 8.42 5.04 4.25 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 1.16 0.00 0.00 29 T 8.64 4.60 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 0.69 0.00 0.00 30 H 9.54 5.00 0.00 3.19 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.45 5.33 0.00 3.12 2.89 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 32 C 9.18 4.30 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.65 4.60 0.00 4.03 4.02 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 34 S 8.37 4.15 0.00 3.98 4.10 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 35 K 8.08 3.72 0.00 1.75 1.84 0.00 1.40 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.46 1.41 7.81 36 C 7.62 4.17 0.00 3.40 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.44 2.67 0.00 1.66 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 1.47 2.12 0.00 38 N 7.94 4.30 0.00 2.56 2.80 0.00 0.00 7.17 7.54 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 39 N 7.92 4.51 0.00 2.96 3.09 0.00 0.00 6.83 7.87 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 40 A 7.65 4.36 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.68 4.35 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.54 4.35 0.00 1.86 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.76 4.21 0.00 2.14 1.98 0.00 3.31 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 45 E 8.59 4.46 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 46 A 8.17 3.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.67 3.85 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 48 N 8.18 4.49 0.00 2.69 2.82 0.00 0.00 6.93 7.87 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 49 L 7.21 4.35 0.00 0.88 0.90 1.01 0.89 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 50 E 8.90 3.86 0.00 2.02 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 2.31 2.34 0.00 51 W 7.80 4.45 0.00 3.55 3.21 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 52 T 7.33 3.94 3.99 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 0.00 0.00 0.95 0.00 0.00 53 D 8.57 4.68 0.00 2.84 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 54 T 7.65 3.83 4.01 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 0.00 0.00 1.06 0.00 0.00 55 A 7.64 3.99 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 56 R 8.54 4.19 0.00 1.92 2.01 0.00 2.83 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00