NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3790 8.3193 115.2932 58.4948 63.7090 172.7896 2 T 4.4940 7.8345 114.1916 59.2699 72.5325 173.9483 3 I 3.9705 8.9323 122.5844 64.4984 37.5123 179.5902 4 E 3.9863 8.2130 119.0152 59.6091 29.3063 178.9990 5 E 4.0098 8.2690 119.1863 59.2153 29.7118 178.9786 6 R 3.9446 8.2607 118.2555 59.1828 30.1310 179.1920 7 V 3.7542 8.6222 118.2576 66.1755 31.5473 178.2548 8 K 4.0308 8.2466 118.2239 59.2838 31.8430 179.2698 9 K 3.9497 8.3616 120.1015 59.5294 32.1011 179.0051 10 I 3.6923 7.7655 120.0212 64.4224 37.0572 178.5050 11 I 3.6558 8.0265 120.8685 64.1071 37.0253 178.6556 12 G 3.5873 8.3847 106.9093 47.7797 0.0000 175.1812 13 E 3.9128 8.4240 121.1917 59.1412 29.7820 178.7124 14 Q 4.0936 8.4960 116.7805 58.1934 28.8464 177.7373 15 L 4.4416 8.2623 117.4849 53.1635 42.8211 176.3214 16 G 3.9442 7.9617 106.6816 47.0322 0.0000 174.1743 17 V 4.5434 7.3878 109.6526 58.5116 35.7905 176.4765 18 K 4.2079 8.3809 121.5701 56.5739 33.5895 177.8198 19 Q 4.0467 8.9653 120.5395 59.4073 28.7688 179.6042 20 E 4.0827 8.0753 113.8975 58.5928 29.8593 177.4453 21 E 4.1061 8.4343 120.1375 58.1581 30.1953 177.3179 22 V 4.0218 7.2574 120.2405 61.9451 29.9523 175.1694 23 T 4.4374 7.4791 113.7980 60.0980 70.8107 176.6463 24 N 4.4000 8.6718 119.8359 56.3267 38.7811 177.0774 25 N 4.4082 8.0768 113.8642 54.6240 39.5090 175.4588 26 A 4.0347 7.4770 120.8891 52.8617 19.0134 176.1031 27 S 4.8211 8.9947 117.4564 56.5113 63.9967 174.5836 28 F 4.4937 8.3333 127.4424 61.1490 38.8317 177.9338 29 V 3.8039 7.9297 119.4101 66.0989 31.8494 177.6622 30 E 3.9232 8.3084 117.7045 59.4868 29.4846 178.0416 31 D 4.6064 8.0543 115.7976 55.5761 41.7110 177.3828 32 L 4.4853 8.1529 116.4905 53.9068 41.8161 176.5986 33 G 3.8708 7.6919 105.7749 46.3753 0.0000 174.1603 34 A 4.2238 8.1192 122.3614 51.3418 19.2213 177.6169 35 D 5.0531 8.1717 120.2106 50.8595 42.8274 177.3735 36 S 4.0690 8.7152 114.6682 61.9869 62.5653 176.7218 37 L 4.0083 8.2362 124.2086 57.3002 41.8203 178.6493 38 D 4.3223 8.4013 119.7017 57.3773 40.6849 178.6371 39 T 3.9321 7.7859 109.8333 64.3718 69.1337 177.0293 40 V 3.5665 7.6879 121.1167 65.9332 31.6205 177.8616 41 E 4.0628 8.5498 118.4888 58.5950 29.2054 179.0670 42 L 3.7939 7.6869 120.6829 58.1837 42.1984 179.1507 43 V 3.5467 7.4999 117.8695 66.1041 31.4754 177.6486 44 M 4.1706 7.8752 117.3989 58.4418 32.0121 178.0842 45 A 3.9694 8.3733 121.2817 55.2676 18.6848 179.6761 46 L 4.1712 8.3282 117.8483 57.8859 41.6153 179.7012 47 E 4.5898 8.2004 120.0911 58.9236 29.3259 179.2745 48 E 3.9079 8.1250 118.3463 59.3504 29.4023 178.5984 49 E 3.6478 8.0739 118.7851 59.1135 29.5228 177.8031 50 F 4.6228 7.9497 113.4551 56.3825 39.5721 176.1057 51 D 4.4221 8.0934 119.0624 54.6089 38.7131 173.3665 52 T 4.5968 8.4729 112.7841 60.9673 71.3477 172.2794 53 E 4.6056 8.7085 127.4978 55.8585 30.4903 176.2494 54 I 4.6287 9.3301 123.8633 57.7238 38.4395 174.6727 55 P 4.3831 0.0000 0.0000 62.7190 33.0108 176.4620 56 D 4.3745 8.8388 120.6987 58.1726 40.6064 179.5105 57 E 4.0616 8.1326 116.6004 58.8897 29.8873 178.4598 58 E 4.2829 8.0007 117.9726 58.5633 30.0505 178.2622 59 A 3.8386 8.2079 121.5058 55.0128 18.2166 179.4437 60 E 3.9586 8.0673 114.3094 59.0042 29.6593 178.3794 61 K 4.1942 7.6970 117.3718 58.1120 32.6037 178.2041 62 I 4.1244 7.4370 120.8553 60.9276 34.6724 175.4580 63 T 4.3831 7.7581 111.4353 61.1488 70.5789 174.7245 64 T 4.2327 6.6834 112.0414 58.6133 73.3934 174.5822 65 V 3.7616 8.0134 120.8998 66.4365 31.5148 178.0295 66 Q 3.9696 8.0839 118.9595 59.1523 28.8645 178.0995 67 A 4.0435 8.0343 121.6612 54.9500 18.3591 179.5088 68 A 4.0443 8.1641 119.3417 55.3553 18.4399 179.9167 69 I 3.6368 7.8833 118.2748 64.7563 37.1432 178.3920 70 D 4.3539 8.5501 120.0995 57.3944 40.4582 178.3363 71 Y 3.8988 8.1091 119.9198 60.7884 39.0195 178.0897 72 I 3.5236 7.7913 120.6680 64.2933 37.0027 178.1412 73 N 4.3062 8.4222 117.7027 56.4237 38.2546 177.6857 74 G 3.6530 8.0196 105.4840 47.0534 0.0000 173.9135 75 H 4.6154 7.6203 117.9545 55.3421 29.2229 174.8202 76 Q 4.1474 7.6277 124.7293 56.1644 29.1791 173.8704 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 S 8.32 4.38 0.00 3.86 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 2 T 7.83 4.49 4.49 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 1.23 0.00 0.00 3 I 8.93 3.97 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.68 0.70 0.00 0.00 4 E 8.21 3.99 0.00 2.08 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 0.00 2.42 2.45 0.00 5 E 8.27 4.01 0.00 2.09 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 2.33 2.37 0.00 6 R 8.26 3.94 0.00 2.39 2.01 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 7 V 8.62 3.75 2.32 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 1.15 0.00 0.00 1.07 0.00 0.00 8 K 8.25 4.03 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.71 7.81 9 K 8.36 3.95 0.00 1.93 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 10 I 7.77 3.69 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.90 0.00 0.00 11 I 8.03 3.66 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.86 0.00 0.00 12 G 8.38 3.59 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 0.00 0.00 0.00 13 E 8.42 3.91 0.00 1.93 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 2.30 2.37 0.00 14 Q 8.50 4.09 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 15 L 8.26 4.44 0.00 1.57 1.67 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 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 0.00 0.00 0.00 17 V 7.39 4.54 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 0.88 0.00 0.00 0.95 0.00 0.00 18 K 8.38 4.21 0.00 1.94 1.94 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.47 7.81 19 Q 8.97 4.05 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 20 E 8.08 4.08 0.00 2.08 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 2.28 2.31 0.00 21 E 8.43 4.11 0.00 2.02 2.05 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 2.34 2.26 0.00 22 V 7.26 4.02 2.24 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 0.97 0.00 0.00 0.96 0.00 0.00 23 T 7.48 4.44 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 1.23 0.00 0.00 24 N 8.67 4.40 0.00 2.86 3.16 0.00 0.00 6.86 6.92 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 25 N 8.08 4.41 0.00 2.68 2.85 0.00 0.00 6.82 7.35 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 26 A 7.48 4.03 1.34 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 0.00 0.00 0.00 27 S 8.99 4.82 0.00 3.78 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 28 F 8.33 4.49 0.00 3.16 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 29 V 7.93 3.80 2.12 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 1.02 0.00 0.00 1.00 0.00 0.00 30 E 8.31 3.92 0.00 1.99 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 2.27 0.00 31 D 8.05 4.61 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.49 0.00 1.94 1.74 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.69 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 0.00 0.00 0.00 34 A 8.12 4.22 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 35 D 8.17 5.05 0.00 2.88 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 36 S 8.72 4.07 0.00 4.07 4.20 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 37 L 8.24 4.01 0.00 1.78 1.85 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.40 4.32 0.00 3.13 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 39 T 7.79 3.93 4.29 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 1.29 0.00 0.00 40 V 7.69 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 41 E 8.55 4.06 0.00 2.03 1.94 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 2.30 2.43 0.00 42 L 7.69 3.79 0.00 1.71 1.70 0.75 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.50 3.55 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 0.95 0.00 0.00 44 M 7.88 4.17 0.00 2.20 2.09 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 2.58 2.54 0.00 45 A 8.37 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.17 0.00 1.88 1.90 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.20 4.59 0.00 2.22 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 2.50 2.44 0.00 48 E 8.12 3.91 0.00 2.03 1.96 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 2.33 2.50 0.00 49 E 8.07 3.65 0.00 1.73 1.78 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 0.00 1.74 1.47 0.00 50 F 7.95 4.62 0.00 3.15 3.07 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 51 D 8.09 4.42 0.00 2.78 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 52 T 8.47 4.60 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 1.42 0.00 0.00 53 E 8.71 4.61 0.00 2.04 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 2.33 2.29 0.00 54 I 9.33 4.63 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.58 0.34 0.00 0.00 55 P 0.00 4.38 0.00 2.29 2.22 0.00 3.88 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 2.17 2.23 0.00 56 D 8.84 4.37 0.00 2.70 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 57 E 8.13 4.06 0.00 1.95 2.03 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 2.32 2.35 0.00 58 E 8.00 4.28 0.00 2.20 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 0.00 2.48 2.46 0.00 59 A 8.21 3.84 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 60 E 8.07 3.96 0.00 2.10 2.19 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 2.33 2.31 0.00 61 K 7.70 4.19 0.00 1.94 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.41 7.81 62 I 7.44 4.12 2.03 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 1.11 0.00 0.00 63 T 7.76 4.38 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 1.21 0.00 0.00 64 T 6.68 4.23 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 1.02 0.00 0.00 65 V 8.01 3.76 2.27 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 1.07 0.00 0.00 1.20 0.00 0.00 66 Q 8.08 3.97 0.00 2.47 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 67 A 8.03 4.04 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 68 A 8.16 4.04 1.58 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 0.00 0.00 69 I 7.88 3.64 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.95 0.00 0.00 70 D 8.55 4.35 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.11 3.90 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 72 I 7.79 3.52 1.62 0.00 0.00 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 1.69 0.76 -0.08 0.00 0.00 73 N 8.42 4.31 0.00 2.79 2.81 0.00 0.00 6.93 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.02 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 75 H 7.62 4.62 0.00 2.79 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.63 4.15 0.00 2.02 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00