NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.2079 8.1132 109.1348 45.2494 0.0000 171.5286 *2 L 4.4936 8.1186 118.0123 55.0143 43.5656 175.6004 3 Y 5.0565 9.0793 122.1767 56.9001 39.8454 174.5364 4 H 5.1598 9.6753 126.9337 54.8005 31.3580 173.1530 5 L 4.9464 8.5351 128.9055 53.2347 44.3558 175.3989 6 V 4.9927 7.7954 124.7275 59.6669 35.6134 173.7387 *8 L 4.4077 8.1720 120.9804 54.7434 43.3917 176.0577 9 E 4.8563 8.8154 124.1387 53.2406 29.6463 172.6383 10 P 4.9113 0.0000 0.0000 62.5727 32.5894 175.2057 11 E 4.4287 9.2078 124.2075 56.2613 32.5140 175.4165 12 G 3.9140 9.2117 114.6522 45.0042 0.0000 172.6342 13 E 3.9612 8.3922 114.9988 56.9656 30.1726 175.7640 14 G 3.9556 8.9672 110.2375 45.8133 0.0000 174.9723 15 A 4.2104 7.5785 118.2589 53.0828 17.8425 180.0313 *17 D 4.4929 8.1305 119.1667 55.6109 42.8910 177.2824 18 R 4.0128 7.7511 118.6133 59.4448 30.1387 179.3138 19 I 3.9900 7.5695 115.6905 61.8214 36.5454 176.8416 *21 E 4.3282 8.3786 121.8382 56.5679 31.1809 179.2705 22 A 4.1777 7.9359 120.2882 52.1911 17.9165 179.1051 *24 A 4.2810 8.1381 124.4749 53.9507 21.0109 180.2554 25 I 3.6639 7.9506 116.6442 64.6090 37.1412 178.7288 26 L 3.7222 7.9815 119.9479 57.5837 41.0701 179.1020 27 D 4.5591 8.0688 117.8122 57.5058 40.8457 178.7604 28 G 3.6809 7.6607 104.7141 47.5380 0.0000 175.3301 29 L 3.9925 7.7813 122.1475 57.6225 42.1012 178.4781 30 A 3.9629 7.7756 120.9068 55.1287 18.0940 177.8979 31 P 4.3701 0.0000 0.0000 64.5974 31.5061 177.4910 32 E 4.6943 8.1802 116.2583 55.1955 30.3936 175.6114 33 L 4.6693 7.5206 120.6581 51.9570 42.7472 175.3741 34 P 4.3001 0.0000 0.0000 65.4467 31.5273 177.8539 35 G 3.7211 8.1648 106.1059 46.3077 0.0000 172.2424 36 L 4.8164 7.6186 122.8062 53.8849 41.3525 175.9658 37 T 4.2296 8.5696 117.5912 63.6940 70.0276 174.8603 38 E 4.6867 7.6104 121.8054 54.9305 33.2338 173.4547 39 F 5.3590 8.7329 128.2034 56.5611 42.2311 173.9633 40 R 4.5801 8.0400 124.0470 54.7929 34.5879 173.7803 41 H 5.1011 7.8886 116.6106 54.2115 32.0803 172.3882 42 G 3.8313 7.6599 106.6380 45.0143 0.0000 170.4716 43 P 4.7183 0.0000 0.0000 62.6506 32.0954 176.2386 44 N 4.4331 8.5142 121.4913 52.8270 38.2327 175.3448 45 R 3.5850 8.2647 125.6161 57.1559 31.1477 176.4877 46 D 4.1960 7.8007 117.7798 54.9270 39.7936 174.5810 47 F 4.3568 7.5635 118.5294 60.2853 39.5848 176.6923 48 E 4.4536 8.2279 117.0741 55.3599 29.9776 175.3836 49 Q 3.6934 7.9982 116.9394 57.7242 26.5741 174.2024 50 K 4.6979 8.3161 112.3719 55.9893 33.3767 177.8701 51 S 4.7145 8.3651 114.3131 56.8419 62.8864 176.3357 52 E 4.0007 8.4028 122.2758 60.0994 29.5177 178.7558 53 R 3.7623 7.7993 118.0343 58.1749 30.1972 175.5712 54 Y 5.0487 7.7780 115.0303 54.6235 37.9584 173.3473 55 P 4.6522 0.0000 0.0000 63.9880 32.8657 175.2034 56 Y 5.0025 7.8895 120.6301 56.7943 42.1028 173.4265 57 G 4.3218 8.1057 111.4341 45.6992 0.0000 171.1658 58 F 5.3783 8.8089 114.5143 55.2863 42.2456 173.2211 59 L 5.0398 8.9171 120.7069 53.5764 45.2175 174.5479 60 C 5.0931 9.2172 124.1406 58.2164 31.1960 172.8337 61 T 4.5656 8.0868 120.2344 61.9790 69.8164 173.6839 62 F 5.4252 9.0142 125.6426 55.8210 41.0598 176.1029 63 T 4.2094 8.9599 119.8865 66.8681 69.1104 173.6464 64 D 4.8913 7.6902 117.5903 52.0327 41.8778 176.1812 65 K 3.8183 8.4913 119.0191 59.5382 31.9557 178.0793 66 A 3.9279 8.1079 120.3616 55.1652 18.2965 179.2897 67 A 3.9285 8.6186 119.4434 55.2206 18.4544 179.5044 68 L 2.4400 7.3738 118.7540 58.0197 41.8809 179.0466 69 D 4.2673 8.1905 118.6239 57.0859 40.4890 178.4951 70 A 4.0071 7.8450 120.6789 55.2723 18.4201 178.8353 71 Y 4.1322 7.9907 117.6568 60.6607 38.6972 177.4667 72 A 3.8881 7.8621 120.6714 55.4798 18.5762 179.5631 73 V 3.8901 7.2887 107.3218 61.6922 32.6195 176.5035 74 H 4.2178 7.4467 119.9879 55.2475 30.5711 174.1805 75 P 4.2474 0.0000 0.0000 66.0715 31.1233 178.9594 76 T 3.8568 8.0905 114.0660 66.9861 68.3667 175.9226 77 H 4.0698 8.0714 119.5468 59.0547 29.9349 177.0938 78 Q 3.8163 8.0244 119.9929 58.7212 28.2665 178.8270 79 R 3.7717 7.7586 118.4871 59.3741 30.2741 178.0037 80 A 4.1859 7.7324 119.2153 55.1493 18.6684 179.3866 81 G 3.8981 8.6275 104.6216 47.7928 0.0000 176.9405 82 G 3.6282 7.8385 105.6648 45.0312 0.0000 175.2177 *84 L 4.3288 7.8956 122.6351 54.4735 43.9521 179.5718 85 V 3.6368 7.9559 117.4907 65.9142 31.1825 177.8833 86 A 4.1455 8.0199 119.2121 54.1500 18.4460 178.6260 87 S 4.5946 7.7923 111.9860 57.8359 63.6355 173.3492 88 C 5.3015 7.0864 119.2510 57.1122 30.8987 173.0760 89 R 4.0813 8.7896 122.5411 57.8230 29.7357 176.4202 90 N 4.1168 9.8075 121.9356 54.1420 37.4786 175.8803 91 G 4.3002 7.7626 110.3178 45.7572 0.0000 178.2652 92 A 4.0179 8.6948 127.1356 54.8850 18.2800 179.6075 93 D 4.4756 8.2168 114.6616 56.8305 41.2533 177.0804 94 G 4.1555 8.2458 107.7162 44.4765 0.0000 172.6667 95 I 4.8119 7.6031 119.8477 59.0875 40.0737 174.7251 96 L 4.4264 8.4057 129.8264 53.7934 43.5661 175.1485 97 V 4.6401 8.2991 125.6581 61.0773 34.1374 174.4296 98 V 4.3752 8.5284 127.6606 61.3746 34.2646 174.2076 99 D 5.4757 8.5988 125.9866 52.4795 42.3603 173.8992 100 L 4.3559 9.0293 123.6147 53.6638 43.6301 175.3629 101 E 4.5901 8.7497 124.9683 55.0043 30.8624 176.3480 102 V 3.8808 8.0689 119.6655 61.4197 32.1205 175.8225 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 0 G 8.11 4.21 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 0.00 *2 L 8.12 4.49 0.00 1.89 1.86 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.08 5.06 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.68 5.16 0.00 3.52 3.47 0.00 5.74 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.54 4.95 0.00 1.72 1.39 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.80 4.99 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 1.14 0.00 0.00 0.58 0.00 0.00 *8 L 8.17 4.41 0.00 1.98 1.76 1.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.82 4.86 0.00 2.33 1.85 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 2.13 2.27 0.00 10 P 0.00 4.91 0.00 1.99 1.99 0.00 3.75 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 2.08 2.15 0.00 11 E 9.21 4.43 0.00 1.94 1.72 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 2.22 2.31 0.00 12 G 9.21 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 13 E 8.39 3.96 0.00 2.00 1.76 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 2.23 1.88 0.00 14 G 8.97 3.96 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 0.00 0.00 0.00 15 A 7.58 4.21 1.44 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 0.00 0.00 0.00 *17 D 8.13 4.49 0.00 2.81 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 18 R 7.75 4.01 0.00 1.91 2.03 0.00 3.09 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 19 I 7.57 3.99 1.72 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 1.31 0.77 0.73 0.00 0.00 *21 E 8.38 4.33 0.00 2.23 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 2.30 1.89 0.00 22 A 7.94 4.18 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 *24 A 8.14 4.28 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 25 I 7.95 3.66 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.84 0.00 0.00 26 L 7.98 3.72 0.00 1.23 0.64 0.66 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.07 4.56 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 28 G 7.66 3.68 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 0.00 0.00 0.00 29 L 7.78 3.99 0.00 1.69 1.65 0.58 0.88 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 30 A 7.78 3.96 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 31 P 0.00 4.37 0.00 2.03 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 32 E 8.18 4.69 0.00 2.01 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 2.40 2.46 0.00 33 L 7.52 4.67 0.00 1.88 1.68 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.20 2.21 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 35 G 8.16 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 36 L 7.62 4.82 0.00 1.85 1.76 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.57 4.23 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 1.22 0.00 0.00 38 E 7.61 4.69 0.00 1.94 1.60 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 2.18 2.23 0.00 39 F 8.73 5.36 0.00 2.91 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 40 R 8.04 4.58 0.00 1.48 1.51 0.00 3.18 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 41 H 7.89 5.10 0.00 3.16 3.03 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.66 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 43 P 0.00 4.72 0.00 2.06 2.16 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 44 N 8.51 4.43 0.00 2.63 2.85 0.00 0.00 7.20 7.17 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 45 R 8.26 3.58 0.00 0.67 0.76 0.00 3.45 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 46 D 7.80 4.20 0.00 2.88 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 47 F 7.56 4.36 0.00 3.12 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 48 E 8.23 4.45 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 2.29 2.40 0.00 49 Q 8.00 3.69 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.20 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 50 K 8.32 4.70 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.48 7.81 51 S 8.37 4.71 0.00 4.15 4.08 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 52 E 8.40 4.00 0.00 1.94 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 2.40 2.30 0.00 53 R 7.80 3.76 0.00 1.46 1.20 0.00 2.91 0.00 0.00 2.59 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.34 0.00 54 Y 7.78 5.05 0.00 3.02 2.83 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 55 P 0.00 4.65 0.00 2.19 2.32 0.00 4.08 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 56 Y 7.89 5.00 0.00 3.00 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 57 G 8.11 4.32 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 0.00 58 F 8.81 5.38 0.00 2.86 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 59 L 8.92 5.04 0.00 1.58 1.30 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.22 5.09 0.00 2.37 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.09 4.57 3.96 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 1.18 0.00 0.00 62 F 9.01 5.43 0.00 2.87 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 63 T 8.96 4.21 4.32 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 1.25 0.00 0.00 64 D 7.69 4.89 0.00 2.85 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 65 K 8.49 3.82 0.00 1.87 1.83 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 66 A 8.11 3.93 1.37 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 67 A 8.62 3.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 2.44 0.00 1.01 1.50 0.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.19 4.27 0.00 2.84 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 70 A 7.84 4.01 1.39 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 71 Y 7.99 4.13 0.00 3.09 2.98 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 72 A 7.86 3.89 1.39 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 73 V 7.29 3.89 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 0.74 0.00 0.00 1.03 0.00 0.00 74 H 7.45 4.22 0.00 3.30 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.25 0.00 2.06 2.04 0.00 3.35 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 76 T 8.09 3.86 4.21 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 1.15 0.00 0.00 77 H 8.07 4.07 0.00 2.70 3.24 0.00 5.68 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 78 Q 8.02 3.82 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 79 R 7.76 3.77 0.00 1.88 1.91 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 80 A 7.73 4.19 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 81 G 8.63 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 0.00 0.00 0.00 82 G 7.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 L 7.90 4.33 0.00 2.01 1.89 1.21 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.96 3.64 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 1.03 0.00 0.00 0.97 0.00 0.00 86 A 8.02 4.15 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 87 S 7.79 4.59 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 88 C 7.09 5.30 0.00 3.10 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 89 R 8.79 4.08 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 90 N 9.81 4.12 0.00 2.91 2.88 0.00 0.00 7.16 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 91 G 7.76 4.30 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 0.00 92 A 8.69 4.02 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 93 D 8.22 4.48 0.00 2.70 2.78 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 0.00 0.00 0.00 94 G 8.25 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.60 4.81 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.93 0.00 0.00 96 L 8.41 4.43 0.00 1.55 1.01 0.89 0.42 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 97 V 8.30 4.64 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 0.78 0.00 0.00 0.90 0.00 0.00 98 V 8.53 4.38 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 0.90 0.00 0.00 0.86 0.00 0.00 99 D 8.60 5.48 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.03 4.36 0.00 1.59 1.52 0.90 0.96 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 0.00 101 E 8.75 4.59 0.00 2.04 1.82 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 2.30 2.33 0.00 102 V 8.07 3.88 1.73 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 0.39 0.00 0.00 0.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.