NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3962 8.1733 120.1352 56.9975 34.7422 173.7036 2 E 5.2402 8.6729 118.5898 52.6973 32.8849 174.4999 3 G 2.8541 6.9685 109.1561 46.0570 0.0000 170.1898 4 Y 4.7264 7.1607 117.0540 56.8695 39.5136 175.7626 5 L 4.3634 8.5937 124.2986 54.7150 42.8997 176.4254 6 V 5.0015 8.1692 121.7965 59.7776 34.4550 174.7688 7 N 4.6828 9.9446 123.9243 53.2897 38.7667 175.4642 8 K 3.8982 9.1049 127.3148 59.5338 32.4471 178.4303 9 S 4.4331 8.5237 114.2312 60.1142 62.9938 175.1410 10 T 4.2233 8.1614 108.9345 60.9249 69.8118 176.2579 11 G 4.0540 8.8505 109.6890 45.6816 0.0000 172.5027 12 C 4.8803 7.4230 116.9921 55.5256 42.3833 173.6971 13 K 5.1375 8.2563 120.5730 55.8353 33.4423 176.0083 14 Y 4.4068 8.7712 119.2383 56.7185 38.9492 175.9802 15 G 4.2392 8.7237 112.3621 46.5646 0.0000 171.6149 16 C 4.7010 8.4657 115.0303 54.5120 44.1945 173.9019 17 L 4.0040 9.0618 127.5586 57.5139 42.2707 176.4719 18 K 4.0244 7.9154 123.2178 56.6113 32.2557 176.7251 19 L 4.4914 8.4214 126.5594 55.1928 42.9940 178.8008 20 G 3.7169 8.4399 107.2570 45.0763 0.0000 172.4821 21 E 3.8531 8.7637 124.8344 56.6735 29.2714 177.2564 22 N 4.8919 8.4697 124.5322 51.3938 40.9767 173.9925 23 E 4.1631 8.9001 129.0263 59.3092 29.3441 179.5483 24 G 3.6548 8.7432 106.4672 47.7236 0.0000 175.1530 25 C 4.4510 8.3291 118.1253 59.3195 40.1836 175.4592 26 D 4.1954 8.0499 119.9776 57.2590 40.8175 177.7483 27 K 3.9030 7.9187 120.0268 59.4898 32.0008 178.2970 28 E 3.9446 7.8023 117.8821 59.8339 29.8838 178.6808 29 C 4.2801 8.1658 118.3642 59.4623 43.5451 175.4896 30 K 4.1563 8.1842 119.2415 56.3643 32.1667 177.2356 31 A 3.9664 7.2775 122.0387 52.2593 17.4769 178.5299 32 K 3.7193 8.9179 121.3239 59.5911 32.2849 178.9172 33 N 4.4170 8.0788 114.1668 54.7876 37.9045 175.9255 34 Q 4.0840 7.4944 117.0041 57.7894 29.4233 177.3891 35 G 3.8578 9.1240 104.1281 45.2850 0.0000 173.4070 36 G 3.9762 7.7082 107.5233 46.3519 0.0000 174.2944 37 S 4.8423 8.9578 112.6513 58.5211 65.9711 173.5816 38 Y 5.1730 7.7052 120.6488 56.6490 41.9332 173.3563 39 G 4.3888 8.7379 113.8109 44.6319 0.0000 171.0896 40 Y 4.9817 7.8383 119.4938 55.2043 42.5108 173.0471 41 C 5.1613 8.7203 120.4617 56.2086 43.3147 171.9131 42 Y 4.9806 9.1205 127.4144 56.7571 40.9095 174.8954 43 A 3.7762 8.8784 129.2497 53.1162 16.3084 176.6190 44 F 4.2134 8.3904 111.7348 58.8836 36.1063 174.6236 45 A 4.8367 7.4605 119.2968 51.4067 23.8525 176.3069 46 C 4.8556 9.3875 118.4855 56.3512 37.9008 172.9675 47 W 4.7637 9.2194 134.8063 55.9690 32.7249 174.1655 48 C 5.3304 7.6906 121.8130 55.2293 45.4075 172.5048 49 E 4.9461 8.6207 118.8598 54.1746 34.1742 175.6221 50 G 4.2845 8.6084 105.3888 45.2164 0.0000 173.4906 51 L 4.2926 7.5892 118.5350 52.7386 42.8629 175.8152 52 P 4.4969 0.0000 0.0000 62.2627 32.3141 176.9265 53 E 3.9258 8.9718 119.8592 59.7890 29.4490 178.9915 54 S 4.2110 8.1432 111.2251 61.3851 62.9650 174.9930 55 T 4.1472 7.5925 117.7758 62.2117 68.8266 172.5264 56 P 4.6372 0.0000 0.0000 62.2481 32.7059 175.1703 57 T 4.8237 7.9042 109.4453 59.4989 71.8682 172.8039 58 Y 4.2083 8.4584 124.4156 58.1475 39.4509 174.5295 59 P 3.5606 0.0000 0.0000 61.2970 34.0680 174.1791 60 L 4.6175 7.7912 118.8438 52.1297 43.3399 175.7548 61 P 4.1881 0.0000 0.0000 65.3266 30.9443 176.5909 62 N 4.8498 8.0399 111.6835 51.5851 37.9439 173.6400 63 K 4.3775 7.8617 119.6299 55.1176 33.7291 175.2609 64 S 4.8039 8.4915 122.3925 57.3214 64.5327 174.7504 65 C 5.0452 8.4910 122.4166 55.7922 44.3854 173.6809 66 S 4.2028 7.9738 117.9113 58.4354 61.7872 174.2198 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 K 8.17 4.40 0.00 1.84 2.03 0.00 1.37 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 2 E 8.67 5.24 0.00 2.17 2.34 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 2.52 2.37 0.00 3 G 6.97 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 0.00 0.00 0.00 4 Y 7.16 4.73 0.00 2.89 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 5 L 8.59 4.36 0.00 1.11 0.72 0.42 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.17 5.00 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 0.81 0.00 0.00 1.14 0.00 0.00 7 N 9.94 4.68 0.00 2.46 2.78 0.00 0.00 6.96 5.31 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 8 K 9.10 3.90 0.00 1.79 1.92 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.27 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.59 7.81 9 S 8.52 4.43 0.00 4.01 3.90 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 10 T 8.16 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 11 G 8.85 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.42 4.88 0.00 2.74 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 13 K 8.26 5.14 0.00 1.44 1.69 0.00 0.76 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.08 0.49 7.81 14 Y 8.77 4.41 0.00 2.90 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 15 G 8.72 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 0.00 0.00 0.00 0.00 16 C 8.47 4.70 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 17 L 9.06 4.00 0.00 1.62 1.74 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.92 4.02 0.00 1.81 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 19 L 8.42 4.49 0.00 1.64 1.50 0.52 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.44 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 21 E 8.76 3.85 0.00 1.99 2.01 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 2.48 2.45 0.00 22 N 8.47 4.89 0.00 2.95 2.75 0.00 0.00 7.11 7.65 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 23 E 8.90 4.16 0.00 2.12 2.02 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 2.44 2.49 0.00 24 G 8.74 3.65 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 0.00 0.00 0.00 25 C 8.33 4.45 0.00 2.95 3.05 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 0.00 0.00 0.00 0.00 26 D 8.05 4.20 0.00 2.95 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.90 0.00 1.96 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 28 E 7.80 3.94 0.00 1.93 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 2.50 2.57 0.00 29 C 8.17 4.28 0.00 2.94 3.08 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 0.00 0.00 0.00 30 K 8.18 4.16 0.00 1.79 1.86 0.00 1.82 0.00 0.00 1.57 0.00 0.00 3.38 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.82 1.43 7.81 31 A 7.28 3.97 1.35 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 0.00 0.00 0.00 32 K 8.92 3.72 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.39 7.81 33 N 8.08 4.42 0.00 2.83 2.95 0.00 0.00 5.98 7.39 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 34 Q 7.49 4.08 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 35 G 9.12 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.71 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 37 S 8.96 4.84 0.00 3.92 4.11 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 0.00 0.00 0.00 0.00 38 Y 7.71 5.17 0.00 3.12 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 39 G 8.74 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 0.00 0.00 0.00 0.00 40 Y 7.84 4.98 0.00 3.15 2.87 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 0.00 0.00 0.00 41 C 8.72 5.16 0.00 3.17 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 42 Y 9.12 4.98 0.00 3.08 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 43 A 8.88 3.78 0.76 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 0.00 0.00 0.00 0.00 0.00 44 F 8.39 4.21 0.00 3.24 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 45 A 7.46 4.84 1.35 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 0.00 0.00 0.00 46 C 9.39 4.86 0.00 2.90 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 47 W 9.22 4.76 0.00 3.04 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 0.00 0.00 0.00 48 C 7.69 5.33 0.00 2.55 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 49 E 8.62 4.95 0.00 2.23 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 2.56 2.57 0.00 50 G 8.61 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 0.00 0.00 0.00 0.00 51 L 7.59 4.29 0.00 1.68 1.54 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 53 E 8.97 3.93 0.00 1.97 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 0.00 2.32 2.27 0.00 54 S 8.14 4.21 0.00 3.96 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 0.00 55 T 7.59 4.15 4.19 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 1.20 0.00 0.00 56 P 0.00 4.64 0.00 2.17 2.03 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 57 T 7.90 4.82 4.15 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 1.07 0.00 0.00 58 Y 8.46 4.21 0.00 3.07 3.05 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 0.00 0.00 0.00 0.00 59 P 0.00 3.56 0.00 1.61 0.85 0.00 3.67 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 60 L 7.79 4.62 0.00 1.89 1.57 0.94 0.89 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 61 P 0.00 4.19 0.00 2.14 2.18 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 62 N 8.04 4.85 0.00 2.79 2.87 0.00 0.00 5.70 7.13 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 63 K 7.86 4.38 0.00 1.62 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.53 7.81 64 S 8.49 4.80 0.00 3.89 3.76 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 0.00 0.00 0.00 65 C 8.49 5.05 0.00 3.00 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 66 S 7.97 4.20 0.00 3.91 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