NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1846 8.1749 111.0559 61.2175 72.1857 174.0682 2 W 4.1047 8.8832 121.1631 54.8912 29.6311 174.2453 3 G 4.0020 7.3384 113.3406 46.2882 0.0000 171.0679 4 V 5.1837 8.3321 119.2576 61.0973 35.2755 174.6475 5 S 4.8366 9.5545 121.6829 56.6946 64.9813 172.6930 6 S 5.3309 8.6113 120.5555 54.5060 66.2413 172.2660 7 P 4.4863 0.0000 0.0000 62.8142 31.9871 177.7309 8 K 4.2087 8.7370 120.3326 59.2755 33.0721 176.8516 9 N 5.6368 8.0121 114.3698 51.7579 42.8017 174.6447 10 V 4.6330 8.8017 114.1337 59.9412 36.4381 174.2856 11 Q 5.1656 8.7623 121.9123 54.3714 32.2106 174.9083 12 G 4.2732 8.9750 108.1195 44.9512 0.0000 171.4392 13 L 5.1385 7.8971 120.6421 52.8128 43.8368 176.8700 14 S 4.4184 8.2502 119.0964 60.4587 63.2614 174.5479 15 G 4.0331 9.3506 113.9868 44.9876 0.0000 173.2116 16 S 4.7416 7.5905 113.9599 57.3910 66.1386 173.1190 17 C 5.0672 8.4459 116.3653 58.9804 30.1026 173.3268 18 L 4.6907 8.7745 122.3652 53.4115 45.5744 174.4840 19 L 4.9989 8.4808 127.0399 53.3158 44.8170 175.3777 20 I 4.2540 8.5855 127.9226 58.9403 38.6702 173.4797 21 P 4.8935 0.0000 0.0000 63.0469 32.7624 176.2778 22 C 5.3646 9.3041 122.1312 55.6924 45.8993 172.6370 23 I 5.2985 8.7034 118.5497 59.4036 41.1661 173.7067 24 F 5.5331 8.1022 116.9113 56.0384 41.4189 173.2112 25 S 4.5100 9.1901 112.9899 57.7098 66.4625 172.4068 26 Y 4.1912 7.2655 116.9931 54.6884 40.7571 172.4661 27 P 4.1346 0.0000 0.0000 62.9176 31.9048 177.6703 28 A 3.9881 8.5507 125.8273 55.0305 18.8467 178.9104 29 D 4.4230 8.1922 115.2616 57.4095 41.0360 177.2669 30 V 3.5912 7.1218 116.6878 62.8368 31.6884 173.5178 31 P 4.4558 0.0000 0.0000 62.2805 32.0282 176.1916 32 V 4.1619 8.2938 122.9539 61.2974 31.0836 175.3049 33 S 4.6453 8.1948 126.3393 57.2405 62.8606 173.9334 *35 G 3.7765 7.8388 106.4181 45.3303 0.0000 172.2250 36 I 4.6177 8.1170 120.6456 59.8650 38.9878 175.3723 37 T 4.4760 9.0332 124.2446 62.4804 70.1945 173.5033 38 A 4.8593 9.4548 128.8449 50.1860 21.9085 175.4335 39 I 4.8448 8.1317 122.5516 59.3048 41.6908 174.2040 40 W 5.1828 8.9571 126.5766 55.1965 31.7057 174.6237 41 Y 5.3972 9.5293 122.1520 56.4493 41.1945 173.8869 42 Y 4.5964 8.8829 122.7444 56.1323 41.6058 175.0222 43 D 4.0151 7.7343 126.0927 54.8381 40.0939 173.2707 44 Y 3.8815 7.9853 122.0633 60.8519 39.2272 177.3494 45 S 4.2710 8.1228 111.6849 59.5305 65.2986 174.5193 46 G 3.8656 7.6136 105.8916 45.3020 0.0000 176.3388 47 K 3.8941 7.4240 125.7753 57.3496 32.7822 176.7054 48 R 3.7670 7.8569 118.0751 57.2405 28.6000 175.2249 49 Q 4.6121 8.3814 118.4858 55.1842 31.2720 176.9463 50 V 4.0653 8.6061 123.9048 63.0730 32.2547 176.2078 51 V 3.6775 8.8174 128.7850 64.7252 32.3764 176.1655 52 I 4.8097 7.5564 119.4184 60.0519 41.4307 174.5399 53 H 4.9238 8.6165 125.5474 55.4683 31.1043 173.7879 54 S 4.2359 9.1379 122.8985 61.3417 63.1139 176.5816 55 G 3.6805 8.4388 108.9853 47.9764 0.0000 173.5941 56 D 4.5780 7.6863 122.0278 50.8010 41.9167 173.7829 57 P 4.3980 0.0000 0.0000 64.6699 31.4946 178.9365 58 K 4.0863 7.9705 118.0993 58.8577 32.1090 178.2084 59 L 4.1504 7.8866 117.9392 56.3565 41.7854 177.7276 60 V 3.8913 7.2420 119.4489 62.4559 32.1486 175.2738 61 D 4.6112 9.2279 127.1035 54.0863 41.5091 177.2565 62 K 4.0260 8.7781 124.4225 59.5093 32.2511 179.4837 63 R 3.8816 7.9056 113.6976 57.9186 29.4830 177.1344 64 F 4.7795 7.8864 116.2626 57.2290 40.6664 175.4604 65 R 4.0331 7.3721 120.7050 57.9404 29.9174 176.6955 66 G 4.0502 9.1201 113.7217 45.4546 0.0000 173.5343 67 R 4.6273 8.1893 117.1331 55.8618 32.0480 175.5665 68 A 5.2344 8.0369 120.3808 50.0372 21.8911 175.3582 69 E 4.6156 9.1863 120.8100 54.4457 34.1963 175.0244 70 L 4.7364 8.6902 126.0430 54.0225 42.2046 176.2864 71 M 4.5509 8.3369 130.8683 55.7435 31.7698 175.7427 72 G 4.3576 7.8093 108.7321 44.1391 0.0000 171.8969 73 N 4.8017 8.5718 117.6910 52.5783 41.8392 175.6392 74 M 4.4239 9.0605 126.3078 58.8034 32.3692 178.6046 75 D 4.4151 8.1205 117.0688 57.1709 41.0888 176.6832 76 H 4.6442 7.9376 113.1924 54.8099 29.4783 174.7300 77 K 2.6571 7.6518 118.5975 57.3165 29.9742 174.7779 78 V 4.7528 7.7683 117.8626 60.8002 34.2901 173.1435 79 C 4.8178 8.9995 122.1657 54.9754 37.8709 173.5220 80 N 4.5312 8.3478 116.0135 54.7956 39.4499 173.2221 81 L 4.7352 8.5653 124.9694 52.9620 44.7035 174.4644 82 L 4.9477 8.8169 128.9933 53.3549 44.2023 174.6533 83 L 5.0747 8.8278 126.9862 52.9868 43.9115 175.9920 84 K 4.6965 9.1819 123.2708 54.1002 35.1663 175.6461 85 D 4.4559 8.4239 119.0035 55.3023 38.3199 174.8270 86 L 4.2441 7.9007 119.0495 55.0414 42.8835 177.4711 87 K 4.8782 9.6164 123.1393 53.6828 34.7891 175.6824 88 P 4.5115 0.0000 0.0000 65.6570 31.3828 178.2317 89 E 4.2330 8.0355 115.5554 58.0247 29.5839 177.2475 90 D 4.5712 8.2902 118.5415 55.6720 41.2919 177.1204 91 S 4.5759 7.8643 116.6188 57.6850 63.6530 175.2177 92 G 3.9815 7.6425 110.5500 46.0251 0.0000 170.2644 93 T 5.1988 7.6673 116.0484 62.1028 71.2737 173.2101 94 Y 5.4186 9.5351 124.0021 56.3840 41.1082 174.4809 95 N 5.5011 9.5836 120.7955 51.5008 42.5725 173.2033 96 F 4.4989 8.4138 124.6096 56.6129 41.7963 174.2604 97 R 4.8099 7.5159 124.6569 54.3863 33.7993 173.6098 98 F 5.0961 8.3877 119.8168 54.9635 41.6637 173.3559 99 E 4.7287 9.1584 120.3816 55.1140 32.3501 176.1973 100 I 4.0549 8.5906 125.0217 61.7503 39.2616 176.7763 101 S 5.1719 7.4883 114.9204 58.6050 63.7930 177.9747 *103 S 4.2700 8.0176 115.1237 58.8020 64.3848 173.1530 104 N 4.7203 8.2181 119.7969 51.5338 36.9586 173.6543 105 R 4.8919 7.2046 116.9316 54.5865 33.2107 174.3283 106 W 4.7304 8.3193 128.8669 55.7831 34.6505 172.9149 107 L 4.6920 7.1296 127.4631 52.9766 44.0869 175.1758 108 D 4.6430 8.6743 126.6149 53.5858 40.8561 176.4790 109 V 3.6706 8.1038 120.6546 63.3317 32.1989 178.2339 110 K 3.9721 8.3412 119.3174 58.9727 32.2267 178.9122 111 G 4.1207 8.1104 105.9076 45.0375 0.0000 171.9562 112 T 4.9987 8.8269 114.6041 61.2109 71.6777 173.8514 113 T 4.9796 8.9751 123.4519 62.5782 70.3890 173.7844 114 V 4.8839 9.4862 127.5364 61.6188 33.8763 174.4267 115 T 4.9271 8.8734 124.4628 61.7891 71.2927 173.0560 116 V 4.7155 8.4192 127.2830 61.6362 32.8932 175.0558 117 T 4.5726 8.6860 123.1933 61.0799 69.8523 174.6578 118 T 4.1846 8.0430 118.4285 62.3628 67.7091 173.4392 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 T 8.17 4.18 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 1.21 0.00 0.00 2 W 8.88 4.10 0.00 2.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 5.18 2.45 0.00 0.00 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 1.52 0.00 0.00 5 S 9.55 4.84 0.00 3.91 3.71 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 6 S 8.61 5.33 0.00 4.08 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 7 P 0.00 4.49 0.00 2.24 2.05 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 8 K 8.74 4.21 0.00 1.76 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.52 7.81 9 N 8.01 5.64 0.00 2.57 2.69 0.00 0.00 6.65 7.68 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 10 V 8.80 4.63 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 0.71 0.00 0.00 0.96 0.00 0.00 11 Q 8.76 5.17 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 12 G 8.98 4.27 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 0.00 13 L 7.90 5.14 0.00 1.76 1.58 0.92 0.84 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 14 S 8.25 4.42 0.00 3.89 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 15 G 9.35 4.03 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 0.00 0.00 0.00 16 S 7.59 4.74 0.00 3.93 4.03 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 17 C 8.45 5.07 0.00 2.84 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 18 L 8.77 4.69 0.00 1.63 1.32 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.48 5.00 0.00 1.58 1.44 0.89 0.99 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 20 I 8.59 4.25 1.45 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.46 0.93 0.00 0.00 21 P 0.00 4.89 0.00 2.09 1.97 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 22 C 9.30 5.36 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 5.30 1.75 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 1.29 1.15 0.86 0.00 0.00 24 F 8.10 5.53 0.00 3.02 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 25 S 9.19 4.51 0.00 3.58 3.71 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 26 Y 7.27 4.19 0.00 1.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.03 1.97 0.00 2.40 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 28 A 8.55 3.99 1.19 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 0.00 0.00 29 D 8.19 4.42 0.00 2.72 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 30 V 7.12 3.59 2.33 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 0.88 0.00 0.00 1.15 0.00 0.00 31 P 0.00 4.46 0.00 2.25 2.08 0.00 3.85 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 2.02 1.99 0.00 32 V 8.29 4.16 2.14 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 0.84 0.00 0.00 0.93 0.00 0.00 33 S 8.19 4.65 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 G 7.84 3.78 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 0.00 0.00 0.00 36 I 8.12 4.62 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.96 0.00 0.00 37 T 9.03 4.48 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 1.14 0.00 0.00 38 A 9.45 4.86 1.43 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 0.00 0.00 39 I 8.13 4.84 1.44 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.40 0.10 0.00 0.00 40 W 8.96 5.18 0.00 3.32 3.15 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 0.00 41 Y 9.53 5.40 0.00 3.03 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 42 Y 8.88 4.60 0.00 2.69 2.99 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 43 D 7.73 4.02 0.00 2.08 2.30 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 44 Y 7.99 3.88 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 45 S 8.12 4.27 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.61 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 47 K 7.42 3.89 0.00 1.85 1.96 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.40 7.81 48 R 7.86 3.77 0.00 1.68 1.74 0.00 2.89 0.00 0.00 2.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.00 49 Q 8.38 4.61 0.00 2.57 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 50 V 8.61 4.07 2.37 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 1.00 0.00 0.00 1.10 0.00 0.00 51 V 8.82 3.68 2.20 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 0.50 0.00 0.00 0.42 0.00 0.00 52 I 7.56 4.81 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.12 1.10 0.00 0.00 53 H 8.62 4.92 0.00 3.17 3.27 0.00 5.67 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 54 S 9.14 4.24 0.00 3.97 4.06 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 55 G 8.44 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 56 D 7.69 4.58 0.00 2.62 2.33 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 57 P 0.00 4.40 0.00 2.29 2.34 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 58 K 7.97 4.09 0.00 1.97 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.47 7.81 59 L 7.89 4.15 0.00 1.67 1.73 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.24 3.89 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 0.94 0.00 0.00 1.03 0.00 0.00 61 D 9.23 4.61 0.00 2.99 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 62 K 8.78 4.03 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.45 7.81 63 R 7.91 3.88 0.00 1.49 1.81 0.00 2.73 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.50 0.00 64 F 7.89 4.78 0.00 3.19 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 65 R 7.37 4.03 0.00 1.99 1.89 0.00 3.32 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 66 G 9.12 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 67 R 8.19 4.63 0.00 1.96 2.15 0.00 3.21 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 68 A 8.04 5.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.19 4.62 0.00 1.82 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 2.22 2.22 0.00 70 L 8.69 4.74 0.00 1.76 1.70 1.27 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.34 4.55 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 72 G 7.81 4.36 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 0.00 73 N 8.57 4.80 0.00 2.79 2.63 0.00 0.00 7.65 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 9.06 4.42 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.63 0.00 75 D 8.12 4.42 0.00 2.54 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 76 H 7.94 4.64 0.00 3.20 3.24 0.00 5.87 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 77 K 7.65 2.66 0.00 1.58 1.17 0.00 1.25 0.00 0.00 1.04 0.00 0.00 2.16 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.73 1.04 7.81 78 V 7.77 4.75 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 1.10 0.00 0.00 0.94 0.00 0.00 79 C 9.00 4.82 0.00 1.74 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 0.00 0.00 0.00 0.00 80 N 8.35 4.53 0.00 2.73 2.80 0.00 0.00 6.46 6.74 0.00 0.00 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 L 8.57 4.74 0.00 0.27 0.49 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.82 4.95 0.00 1.67 1.54 0.88 0.42 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 83 L 8.83 5.07 0.00 1.43 1.47 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.18 4.70 0.00 1.56 1.68 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.35 7.81 85 D 8.42 4.46 0.00 2.75 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 86 L 7.90 4.24 0.00 1.88 1.61 0.90 0.89 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 87 K 9.62 4.88 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 88 P 0.00 4.51 0.00 2.19 2.13 0.00 3.59 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 2.12 2.13 0.00 89 E 8.04 4.23 0.00 1.88 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 2.29 2.39 0.00 90 D 8.29 4.57 0.00 2.83 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 91 S 7.86 4.58 0.00 3.93 3.92 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 92 G 7.64 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 93 T 7.67 5.20 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 1.36 0.00 0.00 94 Y 9.54 5.42 0.00 3.10 3.23 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 95 N 9.58 5.50 0.00 2.77 2.76 0.00 0.00 6.24 7.73 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 96 F 8.41 4.50 0.00 1.51 2.40 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 97 R 7.52 4.81 0.00 1.67 1.46 0.00 3.07 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 98 F 8.39 5.10 0.00 2.70 2.38 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 99 E 9.16 4.73 0.00 1.84 1.79 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 2.08 2.10 0.00 100 I 8.59 4.05 2.07 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.91 0.00 0.00 101 S 7.49 5.17 0.00 4.01 4.03 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 *103 S 8.02 4.27 0.00 3.86 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 0.00 104 N 8.22 4.72 0.00 3.04 3.22 0.00 0.00 6.46 7.23 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 0.00 105 R 7.20 4.89 0.00 1.53 1.70 0.00 2.92 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 106 W 8.32 4.73 0.00 3.08 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 0.00 0.00 0.00 107 L 7.13 4.69 0.00 1.24 0.98 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.67 4.64 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.10 3.67 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 0.50 0.00 0.00 0.86 0.00 0.00 110 K 8.34 3.97 0.00 2.01 1.92 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.59 7.81 111 G 8.11 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 0.00 0.00 0.00 0.00 112 T 8.83 5.00 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 113 T 8.98 4.98 4.64 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 1.30 0.00 0.00 114 V 9.49 4.88 2.39 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 0.98 0.00 0.00 0.79 0.00 0.00 115 T 8.87 4.93 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 1.25 0.00 0.00 116 V 8.42 4.72 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 0.74 0.00 0.00 1.02 0.00 0.00 117 T 8.69 4.57 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 1.22 0.00 0.00 118 T 8.04 4.18 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 * Residues marked with a * may have inaccurate shift predictions.