NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8528 8.1976 109.7377 45.9900 0.0000 174.6911 4 I 3.2020 8.3402 121.7128 60.2505 37.8334 172.2554 5 R 4.2700 9.0565 123.3566 55.1662 30.7116 177.5184 6 E 4.2402 8.5812 126.7262 56.1825 31.1856 176.9023 7 K 4.7783 8.4540 121.6525 55.6534 32.5598 176.9952 8 I 4.3272 8.6927 127.6781 60.7883 39.3074 175.6846 9 K 4.7273 8.2322 122.2636 56.1729 34.5383 175.7098 10 L 4.9926 8.6751 125.9024 53.6063 43.2386 176.4039 11 V 4.8848 9.0467 122.8508 60.6950 35.0775 174.6257 12 S 3.1247 8.2180 121.5750 58.0745 62.1000 174.4335 13 S 4.2473 8.1950 122.0760 61.2075 63.4222 174.6293 14 A 4.1687 7.8350 121.9962 51.3518 18.8644 177.3118 15 G 3.6989 8.6689 108.3725 48.6924 0.0000 174.7504 16 T 3.7626 7.8070 109.0529 61.8931 68.8844 173.6716 17 G 4.2472 8.5534 113.4740 46.2699 0.0000 172.9711 18 H 4.7962 7.9943 119.8131 55.7421 31.4251 174.1158 19 F 5.6854 7.4000 116.2571 57.0593 40.1540 173.5285 20 Y 4.1885 9.0198 120.8209 58.1059 39.6328 174.0652 21 T 4.8001 8.1091 113.9273 61.1580 70.3340 172.8224 22 T 4.3865 8.5828 124.2205 62.1761 74.9986 171.6955 23 T 5.3894 8.4857 110.9954 60.9431 72.1546 172.7418 24 K 4.4315 8.7567 119.3851 56.1046 36.4372 174.7454 25 N 4.7412 8.7011 120.0456 52.3988 38.2789 174.1898 26 K 3.9160 8.8072 128.5197 59.6869 31.9572 178.1826 27 R 4.1831 7.7964 118.5463 58.6297 30.4928 177.9907 28 T 4.1232 7.8310 107.4882 63.1838 69.2773 175.2966 29 K 4.8828 8.0102 118.5003 56.5959 34.8897 173.6434 30 P 4.5812 0.0000 0.0000 64.5181 32.3422 178.1522 31 E 4.0141 8.1100 117.7626 55.6786 29.8883 176.3424 32 K 4.1025 8.6970 122.7828 56.7218 32.6471 175.9126 33 L 4.5949 8.4021 123.5492 54.3086 41.8752 175.5076 34 E 5.1879 8.2905 122.2350 54.5210 32.8184 175.0977 35 L 4.4979 8.4511 121.1314 54.6939 44.2043 174.0417 36 K 4.8248 8.7087 120.7663 56.6908 32.9961 176.4816 37 K 4.4926 8.9665 122.6303 54.2683 37.0309 175.3708 38 F 4.3994 8.5507 124.4358 58.3430 40.4058 173.9885 39 D 4.8476 8.7374 126.1731 50.8965 42.2835 174.9595 40 P 4.2847 0.0000 0.0000 65.2410 31.8653 178.1693 41 V 3.7706 7.7930 111.7360 63.3753 31.7543 176.9446 42 V 3.9205 7.8056 117.1980 62.1298 31.8749 175.4381 43 R 3.8460 7.5281 117.1201 57.0614 28.3015 175.6424 44 Q 4.7809 6.6563 112.5402 54.9848 33.8627 174.2159 45 H 4.9305 8.9835 119.4071 55.6796 29.4652 174.7190 46 V 4.6064 8.4891 122.4812 60.5159 35.9634 174.2531 47 I 4.4193 8.2393 123.3138 61.3560 38.2023 174.8057 48 Y 5.3844 8.7913 124.1038 55.7933 40.3553 174.9546 49 K 4.8402 8.3585 127.3182 55.2768 35.9526 170.0762 50 E 4.1041 9.3058 126.4071 56.1349 31.0519 174.6236 51 A 4.6407 8.6118 125.7738 52.2508 20.7587 176.0755 52 K 4.1987 8.1825 125.3425 56.8845 32.2426 176.3503 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 3 G 8.20 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 4 I 8.34 3.20 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 1.30 0.63 0.91 0.00 0.00 5 R 9.06 4.27 0.00 1.80 1.92 0.00 3.27 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 6 E 8.58 4.24 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 7 K 8.45 4.78 0.00 1.66 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 I 8.69 4.33 1.91 0.00 0.00 0.88 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 1.55 0.97 0.00 0.00 9 K 8.23 4.73 0.00 1.77 1.85 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 10 L 8.68 4.99 0.00 1.89 1.87 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.05 4.88 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 0.95 0.00 0.00 0.99 0.00 0.00 12 S 8.22 3.12 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.25 0.00 3.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.17 1.20 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 0.00 0.00 15 G 8.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.76 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 1.21 0.00 0.00 17 G 8.55 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 0.00 0.00 0.00 0.00 18 H 7.99 4.80 0.00 3.25 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.40 5.69 0.00 3.48 3.03 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 20 Y 9.02 4.19 0.00 2.83 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 21 T 8.11 4.80 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 1.21 0.00 0.00 22 T 8.58 4.39 4.28 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 1.25 0.00 0.00 23 T 8.49 5.39 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 1.27 0.00 0.00 24 K 8.76 4.43 0.00 1.82 1.92 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 25 N 8.70 4.74 0.00 2.71 2.81 0.00 0.00 6.91 6.68 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 26 K 8.81 3.92 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.55 7.81 27 R 7.80 4.18 0.00 2.06 1.85 0.00 3.19 0.00 0.00 3.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 28 T 7.83 4.12 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 1.26 0.00 0.00 29 K 8.01 4.88 0.00 1.84 1.75 0.00 2.09 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.46 7.81 30 P 0.00 4.58 0.00 2.18 2.18 0.00 3.38 0.00 0.00 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 31 E 8.11 4.01 0.00 2.14 2.14 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 2.37 2.29 0.00 32 K 8.70 4.10 0.00 1.78 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.45 7.81 33 L 8.40 4.59 0.00 1.74 1.69 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.29 5.19 0.00 1.85 1.89 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 2.22 2.28 0.00 35 L 8.45 4.50 0.00 1.68 1.71 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.71 4.82 0.00 1.73 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 37 K 8.97 4.49 0.00 0.79 0.74 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.20 7.81 38 F 8.55 4.40 0.00 2.83 2.98 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 39 D 8.74 4.85 0.00 2.84 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.25 2.33 0.00 3.31 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 41 V 7.79 3.77 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 0.70 0.00 0.00 0.96 0.00 0.00 42 V 7.81 3.92 2.11 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 0.69 0.00 0.00 0.88 0.00 0.00 43 R 7.53 3.85 0.00 2.01 2.16 0.00 3.27 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 44 Q 6.66 4.78 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 45 H 8.98 4.93 0.00 3.10 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.49 4.61 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 0.96 0.00 0.00 0.97 0.00 0.00 47 I 8.24 4.42 1.88 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 1.36 0.75 0.95 0.00 0.00 48 Y 8.79 5.38 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.84 0.00 1.82 1.69 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.56 7.81 50 E 9.31 4.10 0.00 2.27 1.98 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 2.21 2.66 0.00 51 A 8.61 4.64 1.30 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 0.00 0.00 0.00 52 K 8.18 4.20 0.00 1.93 1.80 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81