NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3747 8.1127 119.6569 56.1305 32.4375 173.5648 5 E 4.6879 8.3728 120.5735 53.1213 32.2027 173.4922 6 C 4.1296 9.6535 127.9308 59.8312 32.5965 173.5492 7 D 4.4519 8.5101 124.5638 55.7164 39.8181 175.5161 8 Y 4.4756 7.9428 118.2211 58.9209 41.4888 176.5012 9 C 4.0048 8.1186 113.5283 61.3471 30.6402 174.9243 10 G 3.9655 8.4519 106.9573 45.3162 0.0000 173.9906 11 T 4.2776 7.9485 110.1115 61.6085 70.2804 173.2651 12 D 4.8899 8.5005 122.4559 54.3234 41.7891 176.4563 13 I 4.1019 8.4646 124.9553 60.1359 37.4169 175.6547 14 E 3.8604 8.9984 128.3018 55.7376 29.7764 175.1667 15 P 4.3229 0.0000 0.0000 64.1777 31.7512 175.6388 16 G 3.8783 9.3481 106.2785 46.6503 0.0000 173.2711 17 T 4.4818 7.7985 113.6691 62.8322 72.6320 174.2994 18 G 4.1224 8.9152 108.8276 45.7587 0.0000 172.5741 19 T 4.8319 8.3132 113.3684 61.7338 72.8602 173.1480 20 M 5.0549 8.7405 123.6063 53.8825 34.5700 174.5664 21 F 4.8519 9.4877 130.1590 56.6004 40.8991 174.9658 22 V 3.8460 8.0019 127.5701 62.5102 31.6143 175.5900 23 H 3.8784 8.9696 126.2591 54.9377 29.4365 176.7042 24 K 3.9320 8.5680 121.4283 59.8664 31.9217 177.7854 25 D 4.4179 7.9374 116.3038 54.0631 39.4060 176.2683 26 G 3.8523 7.6844 107.4604 45.4983 0.0000 174.3024 27 A 4.1966 9.7335 122.7731 52.9506 19.5739 176.6901 28 T 5.0356 8.2923 114.4547 62.1649 72.7631 174.0837 29 T 4.6404 8.4189 120.9338 62.4201 72.7503 172.6944 30 H 5.1179 9.8216 124.9991 54.9569 30.6669 174.6251 31 F 5.2943 9.4698 121.4902 55.9290 41.8273 176.2559 32 C 4.3516 9.1800 116.9866 60.3091 30.3060 173.5867 33 S 4.6845 7.6758 114.1018 56.0125 66.9980 174.7458 34 S 4.7443 8.4173 117.3905 60.7400 62.9349 175.8421 35 K 3.7299 8.1002 122.8149 59.6826 31.6920 178.2412 36 C 4.1909 7.9077 116.0275 62.8711 28.2187 175.4756 37 E 2.5400 7.2583 120.0782 59.3012 28.9977 179.5485 38 N 4.1281 8.3300 116.1008 56.4869 38.5765 177.2520 39 N 4.3823 8.1493 117.5113 56.1286 38.3529 177.3374 40 A 4.0045 8.0499 122.4968 55.4620 18.3611 179.3437 41 D 3.9130 8.0652 116.1883 57.4685 40.9291 178.8184 42 L 4.2473 7.5924 117.8285 55.5944 41.6729 177.9370 43 G 3.9582 8.9915 108.0457 45.5891 0.0000 173.6060 44 R 4.4160 7.5802 117.4604 55.0521 31.3034 175.7614 45 E 4.5635 8.5028 120.1482 54.3653 31.3791 176.8061 46 A 3.3969 8.1372 127.0006 55.3316 18.3265 179.5942 47 R 3.8328 7.7300 113.1034 58.7192 30.1546 177.0593 48 N 4.5933 8.4356 113.5484 52.8725 39.3751 174.6159 49 L 4.5154 7.4313 120.2530 52.6982 42.2597 176.9960 50 E 3.9420 8.9252 124.8411 59.0739 29.5204 178.7632 51 W 4.3900 7.8270 113.8053 58.3150 28.8992 176.5667 52 T 3.7115 7.0185 117.8893 63.0084 68.4835 174.9400 53 D 4.2851 8.8554 126.5385 58.0607 41.0285 177.9284 54 T 3.8345 8.1455 114.2180 66.8976 68.6234 175.1262 55 A 4.0048 7.7688 122.3907 55.1944 18.6693 177.5522 56 R 4.0799 7.8698 118.4643 56.5758 30.0440 176.4391 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 4.37 0.00 1.78 1.89 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 5 E 8.37 4.69 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.48 0.00 6 C 9.65 4.13 0.00 3.10 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 7 D 8.51 4.45 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.48 0.00 2.88 3.04 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 0.00 0.00 0.00 0.00 9 C 8.12 4.00 0.00 3.08 3.27 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 10 G 8.45 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 0.00 0.00 0.00 11 T 7.95 4.28 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 1.33 0.00 0.00 12 D 8.50 4.89 0.00 2.61 2.66 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 13 I 8.46 4.10 1.91 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 0.60 0.97 0.00 0.00 14 E 9.00 3.86 0.00 1.93 1.93 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 2.32 2.41 0.00 15 P 0.00 4.32 0.00 2.23 2.06 0.00 3.93 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 1.98 0.00 16 G 9.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.80 4.48 4.62 0.00 0.00 0.00 0.00 0.00 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 8.92 4.12 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 0.00 0.00 0.00 19 T 8.31 4.83 4.46 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 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.74 5.05 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.38 0.00 21 F 9.49 4.85 0.00 3.26 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 22 V 8.00 3.85 1.90 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 0.72 0.00 0.00 0.86 0.00 0.00 23 H 8.97 3.88 0.00 3.25 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.57 3.93 0.00 1.74 1.86 0.00 1.81 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 1.43 1.44 7.81 25 D 7.94 4.42 0.00 2.81 2.79 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 26 G 7.68 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 27 A 9.73 4.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 5.04 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 1.20 0.00 0.00 29 T 8.42 4.64 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 0.46 0.00 0.00 30 H 9.82 5.12 0.00 3.05 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.47 5.29 0.00 2.97 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 32 C 9.18 4.35 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.68 0.00 4.03 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 34 S 8.42 4.74 0.00 3.97 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 35 K 8.10 3.73 0.00 1.74 1.85 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.39 1.35 7.81 36 C 7.91 4.19 0.00 3.36 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 37 E 7.26 2.54 0.00 1.64 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 1.47 2.14 0.00 38 N 8.33 4.13 0.00 2.76 2.77 0.00 0.00 7.11 6.78 0.00 0.00 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 8.15 4.38 0.00 3.08 3.14 0.00 0.00 6.97 6.90 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 40 A 8.05 4.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.91 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.25 0.00 1.92 1.75 0.95 0.98 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 8.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.42 0.00 2.14 2.00 0.00 3.26 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 45 E 8.50 4.56 0.00 1.97 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 2.34 2.30 0.00 46 A 8.14 3.40 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 7.73 3.83 0.00 1.73 1.93 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 1.49 1.55 0.00 48 N 8.44 4.59 0.00 2.72 2.83 0.00 0.00 6.90 8.43 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 49 L 7.43 4.52 0.00 1.14 1.03 1.41 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.93 3.94 0.00 2.02 2.09 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 2.32 2.32 0.00 51 W 7.83 4.39 0.00 3.60 3.24 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 0.00 52 T 7.02 3.71 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 0.94 0.00 0.00 53 D 8.86 4.29 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.83 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 1.05 0.00 0.00 55 A 7.77 4.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.08 0.00 1.92 1.84 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00