NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3088 8.2493 123.5275 51.4784 20.1054 176.9721 2 D 4.7448 8.9845 116.4666 52.8014 42.9691 172.5827 3 V 4.7251 7.7362 110.1378 59.1108 36.1410 176.0342 4 V 4.1806 7.3079 122.5503 61.1943 35.5871 173.6657 5 T 4.8208 7.8806 117.3344 60.2792 70.2181 173.1528 6 Y 4.8350 8.9612 126.7981 56.8707 38.4367 174.7901 7 E 4.4395 8.8335 123.5373 56.1143 30.5398 176.2083 8 N 5.0076 8.3221 118.0601 51.1924 40.2058 174.2455 9 K 3.9549 8.8542 121.3074 59.5513 32.1419 177.7273 10 K 3.7443 7.6106 117.7664 57.9066 32.1852 176.4609 11 G 4.8310 8.3019 127.0700 45.0573 0.0000 170.1828 12 N 4.1460 7.9655 122.5874 53.2437 39.1141 174.3460 13 V 4.1356 8.9325 124.6076 62.1429 32.4695 174.9884 14 T 4.6733 8.5385 126.0710 63.0366 69.3290 174.2421 15 F 4.9248 8.4514 122.1008 54.8980 40.4426 174.4106 16 D 4.2571 8.6042 122.3784 54.9850 41.1293 174.5121 17 H 4.6913 8.5316 120.7085 57.3086 32.2575 174.9582 18 K 3.7304 8.4475 119.5700 59.8888 31.8808 178.1310 19 A 3.9783 8.0477 119.5616 56.2301 18.2542 179.0727 20 H 4.0795 8.3986 112.8883 58.7873 28.7811 177.7874 21 A 3.9848 8.4413 123.1221 55.1260 18.0680 179.5604 22 E 3.9022 8.2687 114.9996 59.5904 29.8234 179.1745 23 K 4.1023 8.2797 118.9648 58.5604 32.2071 178.7272 24 L 4.4197 9.0736 117.7043 57.6297 42.4008 175.9881 25 G 3.9119 7.5244 111.4802 43.2734 0.0000 172.6314 26 C 5.0405 8.9400 128.1234 60.1861 35.5969 176.6676 27 D 4.4399 8.0455 118.4130 57.4880 39.5322 179.1277 28 A 3.8894 7.7114 121.9551 54.4759 18.6963 177.8843 29 C 4.6917 7.7011 109.0551 59.7640 31.0441 174.2356 30 H 4.9093 8.7965 117.0999 53.9759 30.6186 173.6183 31 E 4.1857 8.8485 125.5178 58.3218 30.6888 178.6945 32 G 4.0727 7.4522 113.2168 45.0906 0.0000 173.4257 33 T 3.8209 8.4695 119.1792 61.4554 67.6546 173.0029 34 P 4.5921 0.0000 0.0000 62.4962 32.7367 173.9884 35 A 4.3657 7.5053 122.7024 50.6669 23.5169 176.4379 36 K 4.5054 7.1794 113.9776 57.2576 33.3540 173.1606 37 I 4.2673 7.5091 116.8190 62.2425 39.4122 174.3332 38 A 3.4857 8.0167 127.6958 52.4751 14.6031 175.1670 39 I 3.8506 8.5138 119.9641 60.3014 37.3863 176.6506 40 D 4.4559 8.0234 125.8438 52.1207 43.6217 177.3932 41 K 3.6830 8.2968 120.5121 61.0096 32.2486 178.0521 42 K 3.5551 8.3995 115.6763 59.9862 31.6392 178.5584 43 S 4.1798 8.2956 115.7337 62.2475 63.4354 176.0241 44 A 3.9085 8.1857 123.3706 56.1091 17.8728 179.3702 45 H 4.3163 8.4658 112.5037 58.0469 28.9397 176.4055 46 K 4.3501 7.7012 120.4596 56.9112 32.7081 175.8994 47 D 4.7431 7.5398 115.7962 52.4712 40.2657 175.4830 48 A 4.1492 8.3509 124.1825 54.1202 19.1837 179.5921 49 C 4.0192 8.6532 114.5447 61.5960 28.9627 175.3541 50 K 3.8586 7.9554 119.8634 59.8919 31.7813 178.2656 51 T 3.9847 7.1716 110.5094 65.2205 67.2959 175.7744 52 C 4.3317 7.9091 117.2159 62.9740 28.8931 176.2417 53 H 4.6232 8.3299 117.1640 55.8667 27.7042 177.6026 54 K 4.1928 8.0090 120.0443 59.0403 32.5906 180.2551 55 S 4.8006 7.7384 113.6609 58.2724 63.8391 173.7517 56 N 4.7556 8.0950 116.4785 52.5626 40.3432 176.4720 57 N 4.1397 8.5631 120.2502 52.3478 37.8339 173.3652 58 G 3.8329 8.4199 107.6603 44.3539 0.0000 172.1565 59 P 4.4884 0.0000 0.0000 63.7194 31.9599 177.1877 60 T 4.4226 8.2766 116.5555 62.5340 68.8536 174.3898 61 K 3.9614 7.8701 120.0536 56.6516 32.1862 178.2777 62 C 4.9786 7.5486 121.7401 60.8503 30.4937 173.2499 63 G 4.3668 9.1576 109.6870 46.7528 0.0000 175.5086 64 G 4.1001 8.0101 107.2649 48.3918 0.0000 173.1846 65 C 4.6443 7.8625 112.5130 61.4043 30.7468 174.4931 66 H 4.3720 8.1428 115.4657 55.9388 29.2044 176.4757 67 I 4.2066 7.7589 127.0495 59.1612 36.1980 176.2952 68 K 4.0226 7.6338 123.4126 57.5262 32.8788 175.3427 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 A 8.25 4.31 1.14 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 0.00 0.00 2 D 8.98 4.74 0.00 2.74 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 3 V 7.74 4.73 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 0.71 0.00 0.00 0.83 0.00 0.00 4 V 7.31 4.18 0.67 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 0.68 0.00 0.00 0.68 0.00 0.00 5 T 7.88 4.82 4.13 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 1.16 0.00 0.00 6 Y 8.96 4.83 0.00 3.08 2.92 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 7 E 8.83 4.44 0.00 2.12 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 2.35 2.36 0.00 8 N 8.32 5.01 0.00 2.82 2.83 0.00 0.00 6.19 7.28 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 9 K 8.85 3.95 0.00 1.74 1.89 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 K 7.61 3.74 0.00 1.70 1.93 0.00 1.92 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.58 7.81 11 G 8.30 4.83 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 12 N 7.97 4.15 0.00 2.88 2.86 0.00 0.00 6.67 7.71 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 13 V 8.93 4.14 2.28 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 1.06 0.00 0.00 0.84 0.00 0.00 14 T 8.54 4.67 4.23 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 1.11 0.00 0.00 15 F 8.45 4.92 0.00 2.93 3.01 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 16 D 8.60 4.26 0.00 2.28 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 17 H 8.53 4.69 0.00 3.12 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.45 3.73 0.00 1.90 1.78 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 19 A 8.05 3.98 1.40 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 0.00 0.00 0.00 20 H 8.40 4.08 0.00 3.39 3.40 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.44 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.90 0.00 2.11 2.10 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 2.54 2.46 0.00 23 K 8.28 4.10 0.00 1.68 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.62 7.81 24 L 9.07 4.42 0.00 1.66 1.69 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.52 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.94 5.04 0.00 2.91 2.89 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 27 D 8.05 4.44 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.70 4.69 0.00 2.85 2.82 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 30 H 8.80 4.91 0.00 3.05 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.85 4.19 0.00 1.98 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 2.33 2.32 0.00 32 G 7.45 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.47 3.82 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 1.22 0.00 0.00 34 P 0.00 4.59 0.00 2.05 1.58 0.00 3.83 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 1.93 1.85 0.00 35 A 7.51 4.37 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 36 K 7.18 4.51 0.00 2.02 1.95 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.28 7.81 37 I 7.51 4.27 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.89 0.00 0.00 38 A 8.02 3.49 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 39 I 8.51 3.85 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.76 0.00 0.00 40 D 8.02 4.46 0.00 2.61 2.43 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 0.00 0.00 0.00 0.00 41 K 8.30 3.68 0.00 1.77 1.99 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 42 K 8.40 3.56 0.00 1.74 1.70 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 43 S 8.30 4.18 0.00 3.76 3.87 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 44 A 8.19 3.91 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 45 H 8.47 4.32 0.00 3.18 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.70 4.35 0.00 1.88 1.89 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.55 7.81 47 D 7.54 4.74 0.00 2.73 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 48 A 8.35 4.15 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 49 C 8.65 4.02 0.00 3.02 2.82 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 50 K 7.96 3.86 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.50 7.81 51 T 7.17 3.98 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 1.32 0.00 0.00 52 C 7.91 4.33 0.00 3.21 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 53 H 8.33 4.62 0.00 3.21 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.01 4.19 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.78 7.81 55 S 7.74 4.80 0.00 3.81 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 56 N 8.09 4.76 0.00 2.59 2.63 0.00 0.00 6.97 7.94 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 57 N 8.56 4.14 0.00 2.85 2.86 0.00 0.00 6.97 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 58 G 8.42 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 59 P 0.00 4.49 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 60 T 8.28 4.42 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 1.22 0.00 0.00 61 K 7.87 3.96 0.00 1.88 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.44 7.81 62 C 7.55 4.98 0.00 2.92 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 63 G 9.16 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 0.00 0.00 0.00 0.00 64 G 8.01 4.10 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 0.00 0.00 0.00 65 C 7.86 4.64 0.00 2.92 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 66 H 8.14 4.37 0.00 3.23 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.76 4.21 1.90 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 1.33 0.76 0.93 0.00 0.00 68 K 7.63 4.02 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.27 7.81