NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3017 8.2649 123.5817 51.8238 19.9114 176.1750 4 L 4.1126 8.3424 123.3864 53.1592 42.6395 175.2847 5 A 4.1884 8.4923 126.3926 51.3464 20.1005 176.6055 6 K 4.0421 8.4159 122.2841 55.6776 32.6694 175.3743 7 P 4.6260 0.0000 0.0000 61.3060 32.7828 175.2827 8 Q 4.0942 8.3925 120.3029 56.5504 29.2799 175.5130 9 M 4.6982 8.6189 122.3682 54.8337 33.9373 175.5771 10 R 4.5969 7.5067 117.3008 55.1952 32.9953 175.4944 11 G 3.9988 8.7138 107.9492 46.7993 0.0000 176.0937 12 L 3.9481 8.0100 121.7662 57.1974 41.6379 178.7222 13 L 3.9059 7.8304 119.5537 58.2121 42.2599 178.5758 14 A 4.0196 8.0157 120.2529 55.2613 18.3092 179.4642 15 R 3.8641 8.3634 117.4912 59.4587 30.1868 178.5265 16 R 3.9613 8.1544 118.6526 59.4730 30.0084 178.2725 17 L 4.0292 8.1391 119.9837 58.2004 42.1255 179.1340 18 R 3.9438 8.1912 118.0715 59.1347 29.9504 178.6031 19 F 4.0702 8.2174 120.2515 61.9829 39.3573 177.0237 20 H 4.1592 8.5364 115.6376 58.6347 28.4588 177.8946 21 I 3.7027 8.3003 122.2168 64.3830 36.9115 178.5321 22 V 3.6467 7.8162 119.0679 65.9045 31.3148 178.0186 23 G 3.5531 8.0037 105.3222 47.8944 0.0000 175.2740 24 A 4.0095 8.2108 123.6522 54.6656 18.3976 179.3662 25 F 4.0371 8.4416 119.0655 62.0437 39.4994 176.6552 26 M 3.8489 8.4390 118.0010 59.1686 31.8095 178.9986 27 V 3.6232 8.3911 118.1365 66.1191 31.6077 178.4980 28 S 4.1248 7.9644 114.9819 61.4148 62.5979 176.5594 29 L 3.9200 7.6731 121.6605 57.8317 41.4121 179.7674 30 G 3.7176 7.9574 105.5522 47.7199 0.0000 175.4906 31 F 4.1661 8.4322 122.5558 61.1523 39.4500 176.6421 32 A 3.9004 8.3896 120.7916 55.8775 17.7729 179.2628 33 T 3.8269 8.2435 113.7831 67.1479 68.6655 176.3013 34 F 4.3623 8.3767 121.9237 61.6073 39.4313 176.5879 35 Y 3.5796 8.2349 119.4455 60.3353 38.7202 177.4216 36 K 4.2859 8.4014 116.9077 57.1964 31.5922 177.7432 37 F 4.5627 7.3829 121.8021 59.3470 40.8404 176.4854 38 A 3.2473 7.7404 117.8477 52.6426 18.8054 177.0482 39 V 3.7313 7.1521 114.5511 63.8206 33.6430 177.5812 40 A 3.8807 7.5519 120.4957 55.1702 18.4912 179.2859 41 E 3.8261 7.5525 116.1386 59.3619 29.4836 179.1684 42 K 3.6270 7.1894 119.3991 59.8371 31.9388 178.5754 43 R 3.9449 7.8831 118.4586 59.3000 30.0269 178.5298 44 K 4.0241 8.2265 118.4865 59.2123 31.9426 179.2253 45 K 3.8951 8.6544 120.0140 59.5154 32.1958 178.4411 46 A 3.9553 8.2967 121.3870 55.7299 18.2315 179.2996 47 Y 3.7863 8.0718 114.6919 60.9178 38.0938 178.2695 48 A 4.1902 8.2539 121.8632 55.2286 18.2957 179.4368 49 D 4.3173 8.2877 116.7792 57.4232 40.9947 178.4100 50 F 4.0043 7.9613 119.8061 61.4505 39.8009 176.2701 51 Y 4.4211 8.2312 114.5042 58.9885 37.6767 177.6080 52 R 4.0192 7.6833 119.8853 58.9324 30.3612 177.8266 53 N 5.0059 7.7860 113.5366 52.8570 39.4328 174.1513 54 Y 4.0479 7.6433 119.0115 57.3339 39.6087 174.9720 55 D 4.5020 7.6743 125.0895 52.0118 43.4732 176.5061 56 S 3.8462 8.0503 123.6573 61.4356 63.2904 176.0490 57 M 4.1154 7.9317 121.8626 58.0991 31.7307 178.4303 58 K 3.9544 8.8862 120.1247 59.4072 32.4163 178.2774 59 D 4.3580 8.0069 118.3815 57.3940 41.1980 178.0346 60 F 4.3703 8.7413 121.4927 61.5110 39.3886 176.9220 61 E 3.8008 8.6803 118.6194 59.3562 29.1669 179.1464 62 E 3.9424 8.3238 118.6725 59.6482 29.5020 179.4543 63 M 3.8988 7.7364 118.1715 58.1459 31.9765 178.4406 64 R 3.9498 8.0655 119.2673 59.7795 29.9138 178.6968 65 K 3.9313 8.0941 116.5825 59.1271 32.1160 178.5458 66 A 4.2212 7.4519 118.4324 52.3679 18.3530 178.0248 67 G 3.8191 7.9817 105.9590 45.8192 0.0000 175.1545 68 I 3.7044 7.3702 114.6091 62.1592 37.9892 176.2156 69 F 4.9109 7.4496 119.0105 56.2936 40.3239 175.3847 70 Q 4.2726 8.9099 124.2694 57.7570 29.3246 176.6655 71 S 4.6191 8.1997 109.6723 58.1958 64.2267 174.0870 72 A 4.6298 7.7118 122.8991 49.7612 19.0275 175.8088 73 K 4.2395 8.4317 119.3215 56.8062 32.1009 177.3804 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 A 8.26 4.30 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 4 L 8.34 4.11 0.00 1.72 1.61 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.49 4.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.04 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.63 0.00 2.20 2.03 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 8 Q 8.39 4.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.62 4.70 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 10 R 7.51 4.60 0.00 1.89 1.80 0.00 3.30 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 11 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.95 0.00 1.69 1.72 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 3.91 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.02 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.86 0.00 1.92 2.17 0.00 3.10 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 16 R 8.15 3.96 0.00 2.03 2.11 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 17 L 8.14 4.03 0.00 1.84 1.86 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.19 3.94 0.00 1.96 2.01 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.22 4.07 0.00 3.04 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 20 H 8.54 4.16 0.00 3.46 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 3.70 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.92 0.00 0.00 22 V 7.82 3.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.89 0.00 0.00 23 G 8.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.04 0.00 3.17 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 26 M 8.44 3.85 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 27 V 8.39 3.62 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 1.01 0.00 0.00 0.95 0.00 0.00 28 S 7.96 4.12 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.92 0.00 1.60 1.58 0.48 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.96 3.72 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 0.00 0.00 0.00 31 F 8.43 4.17 0.00 3.17 3.28 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 32 A 8.39 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.83 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 F 8.38 4.36 0.00 3.21 3.14 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 35 Y 8.23 3.58 0.00 2.46 2.77 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 0.00 0.00 0.00 0.00 36 K 8.40 4.29 0.00 1.99 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 37 F 7.38 4.56 0.00 3.00 3.06 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 38 A 7.74 3.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.15 3.73 0.81 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 0.58 0.00 0.00 0.32 0.00 0.00 40 A 7.55 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.55 3.83 0.00 2.09 1.97 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 2.57 2.44 0.00 42 K 7.19 3.63 0.00 1.49 1.74 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.31 7.81 43 R 7.88 3.94 0.00 1.92 2.09 0.00 3.12 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 44 K 8.23 4.02 0.00 1.99 1.86 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 45 K 8.65 3.90 0.00 1.89 1.93 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.46 7.81 46 A 8.30 3.96 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 47 Y 8.07 3.79 0.00 3.10 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 48 A 8.25 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.32 0.00 2.71 2.75 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 50 F 7.96 4.00 0.00 2.85 2.85 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 51 Y 8.23 4.42 0.00 3.34 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 52 R 7.68 4.02 0.00 2.06 1.99 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 53 N 7.79 5.01 0.00 2.69 2.76 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.64 4.05 0.00 2.81 3.10 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 55 D 7.67 4.50 0.00 2.56 2.30 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 56 S 8.05 3.85 0.00 4.18 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 57 M 7.93 4.12 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 58 K 8.89 3.95 0.00 1.93 1.93 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.42 7.81 59 D 8.01 4.36 0.00 2.95 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 60 F 8.74 4.37 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.68 3.80 0.00 2.12 1.97 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 2.75 2.57 0.00 62 E 8.32 3.94 0.00 2.22 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 2.31 2.50 0.00 63 M 7.74 3.90 0.00 1.72 2.32 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.50 0.00 64 R 8.07 3.95 0.00 1.16 1.78 0.00 3.26 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.98 0.00 65 K 8.09 3.93 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.54 7.81 66 A 7.45 4.22 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 67 G 7.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.37 3.70 1.52 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.33 0.74 0.00 0.00 69 F 7.45 4.91 0.00 3.38 3.09 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 70 Q 8.91 4.27 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 71 S 8.20 4.62 0.00 4.02 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 0.00 72 A 7.71 4.63 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.43 4.24 0.00 1.80 1.77 0.00 1.95 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.41 7.81