NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3457 8.3049 120.5981 55.4847 33.4647 174.5636 2 E 4.3474 8.5605 125.1870 54.5880 32.3338 173.3727 3 Q 5.1804 8.2711 118.7777 54.6767 33.6396 174.1545 4 K 4.7482 9.5078 122.6444 55.5064 36.2706 174.5995 5 T 5.1164 8.6139 122.9379 61.8489 70.7561 173.6258 6 L 4.8245 9.0030 125.8330 52.8826 45.3198 175.2093 7 Q 4.7269 8.5525 123.9156 55.2473 30.6969 174.3158 8 V 4.8630 8.9436 126.2485 61.2163 34.3550 174.3031 9 E 4.6629 9.4840 127.3930 55.9171 31.7824 176.9878 10 G 4.2203 9.1722 110.4122 45.8964 0.0000 174.1661 11 M 4.0601 7.6558 119.5126 55.1840 32.4105 176.1274 12 S 4.6214 8.2476 114.7903 57.1983 64.9472 173.1917 13 C 4.6125 7.3188 115.2871 56.8053 33.0395 174.2283 14 Q 4.0469 8.3944 118.6476 59.0061 28.0995 178.5175 15 H 4.2500 8.1066 117.3209 58.9136 28.7759 177.3201 16 C 4.3167 8.0124 119.4566 62.1713 27.9516 175.9018 17 V 3.4792 7.5790 119.6479 66.1116 31.0132 178.0719 18 K 4.1740 8.4591 120.2355 58.8022 31.9178 178.5766 19 A 4.0129 8.1853 121.3492 55.0722 18.2254 179.8616 20 V 3.5635 7.9433 116.6798 66.2077 31.4799 177.9839 21 E 3.9493 8.3835 118.5948 59.8037 29.2930 179.6885 22 T 3.9743 8.1905 115.9770 66.7472 68.3861 177.1341 23 S 4.1726 8.0708 114.9513 61.2975 63.3561 176.3366 24 V 3.8354 8.1972 122.2362 65.6801 31.1420 178.3747 25 G 3.6655 8.0112 104.2666 47.5142 0.0000 174.9416 26 E 4.2334 8.0138 118.9138 56.7270 30.0739 177.0186 27 L 4.1661 7.5473 121.2647 53.7825 42.3320 175.9603 28 D 4.5880 8.5893 123.7242 55.6516 41.7214 175.8459 29 G 4.1280 9.0995 114.4454 45.5225 0.0000 173.4268 30 V 4.3340 7.6300 120.0650 62.7531 32.1567 175.4530 31 S 4.7195 8.9505 121.7093 60.0800 64.5460 174.2331 32 A 4.8073 7.6742 119.1249 50.7783 22.3605 175.6777 33 V 4.9095 8.2624 118.9108 60.4640 34.7574 173.7685 34 H 4.9199 9.5149 123.9771 54.3033 32.8829 171.9194 35 V 4.6036 8.2030 125.0737 61.0886 33.7032 174.2284 36 N 4.6587 8.9733 127.3063 51.8463 40.0187 174.9499 37 L 3.8123 8.5331 129.0111 58.0995 42.6425 178.5811 38 E 3.8272 8.3712 117.3245 58.9666 29.4548 177.2331 39 A 4.2622 8.5754 119.1005 51.4600 19.8692 176.6913 40 G 3.9339 7.8567 104.4134 46.6555 0.0000 173.4471 41 K 5.1112 8.0125 116.5665 54.2421 37.1403 176.9407 42 V 4.7897 8.6987 122.6529 61.3105 34.5690 173.7377 43 D 5.4357 9.2413 128.2819 52.7349 43.2313 175.6707 44 V 4.9519 8.9880 122.6912 61.3335 35.2924 174.0475 45 S 5.4971 8.9367 123.7942 57.1430 65.4218 173.1199 46 F 5.1076 8.7137 117.4103 56.1825 41.8130 172.8083 47 D 4.9181 9.2726 120.7368 52.9695 40.9820 176.9374 48 A 5.2043 9.0403 129.8964 53.9686 18.5819 178.1570 49 D 4.5614 8.4795 115.2600 56.0356 41.3379 177.3999 50 K 4.4478 8.2457 117.6426 57.0992 33.7435 177.0008 51 V 4.6449 7.6090 116.8865 59.1842 34.4704 174.5258 52 S 5.0574 8.5907 116.6398 56.3720 66.6627 175.4262 53 V 3.2597 8.1738 121.4100 66.2045 31.1414 178.0720 54 K 3.9762 7.9299 118.6443 59.4653 32.1142 178.2925 55 D 4.3552 8.2183 119.3471 57.3415 40.7071 178.9174 56 I 3.5882 7.6832 119.9153 64.2607 37.0550 178.2358 57 A 3.9654 8.2465 121.9778 55.4699 18.1225 179.4697 58 D 4.2583 8.6136 117.4773 57.3299 40.6074 178.8701 59 A 3.9849 7.8751 120.5953 55.1808 18.7875 179.4903 60 I 3.9170 7.7832 118.3414 64.6693 37.1296 178.6063 61 E 4.7945 8.3805 120.9166 58.9826 29.0482 179.0088 62 D 4.3507 8.2863 118.2097 56.5421 40.9325 177.6817 63 Q 4.2592 7.5322 116.4318 55.8087 29.0610 176.3978 64 G 3.6729 7.8897 109.0038 44.9043 0.0000 172.9086 65 Y 5.0222 7.1845 116.6162 56.2429 41.0519 174.4301 66 D 4.8141 8.8679 122.1322 53.7251 42.7456 175.5373 67 V 4.7819 8.2227 122.2763 60.8193 33.4062 175.1685 68 A 4.2746 8.7395 129.1685 52.2671 17.8530 176.9900 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 M 8.30 4.35 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 2 E 8.56 4.35 0.00 1.16 1.16 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 2.00 2.20 0.00 3 Q 8.27 5.18 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 4 K 9.51 4.75 0.00 2.09 1.72 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.51 7.81 5 T 8.61 5.12 4.26 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 1.30 0.00 0.00 6 L 9.00 4.82 0.00 1.51 1.52 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.55 4.73 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 8 V 8.94 4.86 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 0.84 0.00 0.00 0.92 0.00 0.00 9 E 9.48 4.66 0.00 1.93 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 2.24 2.44 0.00 10 G 9.17 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 0.00 0.00 0.00 0.00 11 M 7.66 4.06 0.00 1.71 1.78 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.17 0.00 12 S 8.25 4.62 0.00 3.93 3.93 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 0.00 0.00 0.00 13 C 7.32 4.61 0.00 3.12 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 14 Q 8.39 4.05 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 15 H 8.11 4.25 0.00 3.26 3.37 0.00 5.82 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 16 C 8.01 4.32 0.00 3.04 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.48 2.21 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 1.02 0.00 0.00 0.88 0.00 0.00 18 K 8.46 4.17 0.00 1.88 1.93 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.33 7.81 19 A 8.19 4.01 1.49 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 20 V 7.94 3.56 2.15 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 1.08 0.00 0.00 0.90 0.00 0.00 21 E 8.38 3.95 0.00 2.19 2.00 0.00 0.00 0.00 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 2.42 0.00 22 T 8.19 3.97 4.43 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 1.26 0.00 0.00 23 S 8.07 4.17 0.00 4.03 4.02 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 24 V 8.20 3.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.92 0.00 0.00 25 G 8.01 3.67 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 0.00 0.00 0.00 26 E 8.01 4.23 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 2.35 2.35 0.00 27 L 7.55 4.17 0.00 1.79 1.58 0.87 0.73 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 28 D 8.59 4.59 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 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 0.00 0.00 0.00 0.00 30 V 7.63 4.33 2.22 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 0.88 0.00 0.00 0.98 0.00 0.00 31 S 8.95 4.72 0.00 3.89 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 32 A 7.67 4.81 1.25 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 0.00 0.00 33 V 8.26 4.91 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 0.76 0.00 0.00 0.93 0.00 0.00 34 H 9.51 4.92 0.00 3.21 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.20 4.60 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 0.72 0.00 0.00 0.86 0.00 0.00 36 N 8.97 4.66 0.00 2.75 2.66 0.00 0.00 6.52 6.46 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 37 L 8.53 3.81 0.00 1.66 1.60 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.37 3.83 0.00 2.01 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 2.28 2.26 0.00 39 A 8.58 4.26 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 40 G 7.86 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.01 5.11 0.00 1.65 1.65 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.49 7.81 42 V 8.70 4.79 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 0.94 0.00 0.00 0.88 0.00 0.00 43 D 9.24 5.44 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.95 2.13 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 1.15 0.00 0.00 0.93 0.00 0.00 45 S 8.94 5.50 0.00 3.84 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 46 F 8.71 5.11 0.00 3.12 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 47 D 9.27 4.92 0.00 2.72 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 48 A 9.04 5.20 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 49 D 8.48 4.56 0.00 2.92 2.76 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 50 K 8.25 4.45 0.00 1.94 2.03 0.00 1.67 0.00 0.00 2.11 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 51 V 7.61 4.64 2.35 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 0.98 0.00 0.00 0.90 0.00 0.00 52 S 8.59 5.06 0.00 4.06 4.02 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 53 V 8.17 3.26 2.08 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 1.02 0.00 0.00 1.03 0.00 0.00 54 K 7.93 3.98 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.72 7.81 55 D 8.22 4.36 0.00 2.79 2.65 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 56 I 7.68 3.59 1.79 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.80 0.00 0.00 57 A 8.25 3.97 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 58 D 8.61 4.26 0.00 2.82 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 59 A 7.88 3.98 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 60 I 7.78 3.92 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 1.04 0.00 0.00 61 E 8.38 4.79 0.00 2.13 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 2.54 2.41 0.00 62 D 8.29 4.35 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 4.26 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.67 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 64 G 7.89 3.67 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 0.00 0.00 0.00 65 Y 7.18 5.02 0.00 2.99 2.96 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 66 D 8.87 4.81 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.78 2.25 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 0.79 0.00 0.00 0.96 0.00 0.00 68 A 8.74 4.27 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