NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9162 8.4093 118.1339 52.8299 42.3647 174.0011 2 L 4.8129 8.0922 118.1196 53.8534 46.9699 171.5482 3 V 5.2182 9.2218 111.4065 60.3569 35.8284 176.8542 4 T 4.8165 9.0717 117.1361 61.1054 71.4400 171.4903 5 A 5.1387 7.9351 121.8379 51.0553 22.5386 175.3894 6 F 4.7632 8.8883 116.4983 55.9299 43.6089 176.5298 7 S 4.2367 8.9752 116.9211 61.5151 63.9768 173.9880 8 N 5.1546 7.7648 114.2911 50.5086 40.4053 174.4330 9 M 3.5730 8.5718 116.3114 58.9392 31.9930 177.6510 10 D 4.1577 7.8043 118.3998 57.2703 40.7645 178.1113 11 D 4.3449 7.7403 117.1935 57.3497 41.5661 177.5092 12 M 2.5500 7.1481 118.2057 58.0019 31.9197 178.1883 13 L 3.1953 7.3066 118.2688 56.9834 41.7691 178.5842 14 Q 4.3862 7.3743 114.4692 56.1151 29.6853 175.8833 15 K 4.6776 7.6714 121.2028 55.9001 33.1204 178.2221 16 A 4.2004 8.2970 123.7076 55.5744 18.6311 179.5090 17 H 4.7556 8.0380 109.9980 56.6932 29.0991 175.7200 18 L 4.4830 7.7850 118.9459 54.6473 42.1833 176.4559 19 V 4.4743 7.2931 117.7272 60.7292 33.2128 175.1133 20 I 4.0076 8.2158 127.8930 60.4218 37.9034 175.0169 21 E 3.8839 8.5618 124.6828 58.2491 29.7226 177.1005 22 G 3.8314 9.7835 113.7932 45.8087 0.0000 172.9811 23 T 4.6812 7.2933 114.9236 61.6551 71.3434 173.7583 24 F 5.2019 9.1065 123.6000 56.8783 41.2150 174.8672 25 I 5.0999 9.8184 124.2031 59.8662 40.1843 173.7377 26 Y 4.1625 8.8251 129.2212 55.8969 40.7712 174.2459 27 L 4.7467 8.3497 127.2844 53.1686 42.6632 177.4131 28 R 3.3230 8.2344 124.3487 59.2683 30.3353 178.4784 29 D 4.4166 8.1850 116.5699 56.9428 40.7377 177.6440 30 S 4.5119 7.8916 109.7926 57.2337 63.9688 173.4775 31 T 3.3597 7.4350 110.5776 63.4114 67.9701 170.9746 32 E 4.9711 7.6734 118.3030 55.7070 33.9181 175.9199 33 F 5.4730 8.5816 118.0928 56.0593 43.1477 174.3034 34 F 5.5432 10.0332 120.5628 55.6977 43.9708 173.6314 35 I 5.0489 9.0260 113.2501 59.1693 40.4010 174.5545 36 R 4.4766 9.1952 127.4947 56.3286 31.1683 175.5565 37 V 5.1706 8.3113 119.9405 59.1326 36.3161 174.4496 38 R 3.8988 8.4639 121.5521 58.1656 29.9232 176.0414 39 D 4.4822 8.6610 123.9090 53.2789 38.9625 175.5579 40 G 3.4714 5.8370 106.1169 45.7600 0.0000 171.6989 41 W 5.8320 8.3508 123.0872 55.2694 34.0173 174.7728 42 K 4.8655 9.2042 119.4630 54.7749 35.9883 175.9075 43 K 3.7143 8.8471 126.2115 55.7560 32.9751 175.7923 44 L 4.3205 8.2990 130.2590 54.4603 43.0371 176.3454 45 Q 4.1557 8.7372 125.4535 55.7612 28.5994 175.3160 46 L 4.7573 8.2471 122.7881 52.5971 44.6348 177.1105 47 G 3.9403 8.2223 110.1847 44.2148 0.0000 172.9845 48 E 4.0787 8.3651 119.4527 55.3682 30.1600 176.3324 49 L 3.9143 8.4020 125.9994 55.3953 42.4818 176.5521 50 I 4.2482 8.1168 127.2056 58.8825 37.1006 173.7597 51 P 4.3853 0.0000 0.0000 62.3558 31.8257 176.7898 52 I 3.9468 8.0942 122.6260 60.2849 37.7518 174.5260 53 P 4.2804 0.0000 0.0000 62.3486 31.8739 176.2734 54 A 4.1658 8.5781 123.1309 52.7305 18.2110 177.4748 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 N 8.41 4.92 0.00 2.77 2.98 0.00 0.00 6.73 6.97 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 2 L 8.09 4.81 0.00 1.88 1.60 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.22 5.22 2.31 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 0.77 0.00 0.00 1.24 0.00 0.00 4 T 9.07 4.82 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 1.29 0.00 0.00 5 A 7.94 5.14 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 6 F 8.89 4.76 0.00 2.84 2.88 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 7 S 8.98 4.24 0.00 3.78 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 8 N 7.76 5.15 0.00 2.76 2.83 0.00 0.00 5.82 7.66 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 9 M 8.57 3.57 0.00 1.89 1.90 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 1.93 2.14 0.00 10 D 7.80 4.16 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.34 0.00 2.61 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 12 M 7.15 2.55 0.00 1.57 1.40 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.48 0.00 13 L 7.31 3.20 0.00 1.45 1.45 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.37 4.39 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.41 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 15 K 7.67 4.68 0.00 1.71 1.99 0.00 2.00 0.00 0.00 2.00 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.42 7.81 16 A 8.30 4.20 1.13 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 0.00 0.00 17 H 8.04 4.76 0.00 3.20 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.78 4.48 0.00 2.00 1.83 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.29 4.47 2.26 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 0.97 0.00 0.00 1.37 0.00 0.00 20 I 8.22 4.01 1.89 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 1.33 1.24 0.91 0.00 0.00 21 E 8.56 3.88 0.00 1.85 1.83 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 2.26 2.27 0.00 22 G 9.78 3.83 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 0.00 0.00 0.00 23 T 7.29 4.68 4.37 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 1.39 0.00 0.00 24 F 9.11 5.20 0.00 3.37 3.42 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 25 I 9.82 5.10 2.21 0.00 0.00 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 1.44 0.99 1.24 0.00 0.00 26 Y 8.83 4.16 0.00 1.99 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 27 L 8.35 4.75 0.00 1.48 1.48 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.23 3.32 0.00 1.67 1.89 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 29 D 8.19 4.42 0.00 2.66 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 30 S 7.89 4.51 0.00 3.96 3.94 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 31 T 7.43 3.36 4.44 0.00 0.00 0.00 0.00 0.00 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 32 E 7.67 4.97 0.00 2.01 1.88 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 2.32 2.43 0.00 33 F 8.58 5.47 0.00 3.01 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 34 F 10.03 5.54 0.00 2.97 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 35 I 9.03 5.05 1.71 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 1.41 0.96 0.76 0.00 0.00 36 R 9.20 4.48 0.00 2.09 1.96 0.00 2.94 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 37 V 8.31 5.17 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 0.87 0.00 0.00 0.92 0.00 0.00 38 R 8.46 3.90 0.00 1.97 1.80 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 39 D 8.66 4.48 0.00 2.81 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 40 G 5.84 3.47 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 0.00 0.00 0.00 41 W 8.35 5.83 0.00 3.23 3.15 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 42 K 9.20 4.87 0.00 1.77 1.72 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 43 K 8.85 3.71 0.00 1.58 1.59 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.55 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 0.27 7.81 44 L 8.30 4.32 0.00 1.93 1.61 1.18 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.74 4.16 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 46 L 8.25 4.76 0.00 1.62 1.57 1.12 0.96 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 47 G 8.22 3.94 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 0.00 0.00 0.00 48 E 8.37 4.08 0.00 1.93 1.87 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 2.30 2.37 0.00 49 L 8.40 3.91 0.00 1.65 1.59 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.12 4.25 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 1.42 0.89 0.91 0.00 0.00 51 P 0.00 4.39 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 52 I 8.09 3.95 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 1.42 0.47 0.91 0.00 0.00 53 P 0.00 4.28 0.00 2.03 1.99 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 54 A 8.58 4.17 1.24 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 0.00 0.00