NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7499 8.1833 119.3593 57.5065 41.3154 173.2624 3 Y 4.8303 8.7771 119.7854 55.3964 40.9951 170.7577 4 E 5.1398 10.5625 127.8159 54.7367 32.5187 174.1113 5 I 4.9332 9.1931 128.1772 59.7687 40.0241 174.5683 6 R 5.0684 8.6369 126.6627 54.6232 32.6902 175.4015 7 T 4.9512 8.9477 120.3326 61.9577 71.7181 172.6755 8 Y 5.4055 8.8920 123.9528 56.1694 42.1039 174.6391 9 R 4.9310 9.1880 123.1856 54.8078 32.2777 175.5715 10 L 4.8941 8.8423 127.2308 53.0523 43.7849 176.5007 11 K 4.4408 8.8657 121.9864 55.7894 33.3677 175.5309 12 N 4.5218 8.7860 124.9881 56.2940 38.8375 174.7082 13 G 3.9305 9.4793 114.3072 45.5961 0.0000 173.8236 14 A 4.3705 8.1484 121.0589 52.6792 18.8895 179.5105 15 I 3.6816 7.8020 118.8635 64.0048 37.2792 176.1929 16 P 4.1485 0.0000 0.0000 65.5171 31.2547 178.5305 17 A 3.9778 7.9471 118.9738 55.2045 18.4259 178.6805 18 Y 3.9502 8.3635 118.3509 61.1382 38.9495 178.5662 19 L 4.0489 8.5568 120.0884 57.3824 41.5337 179.6488 20 K 3.8908 7.9963 119.8763 59.5453 32.2583 179.4052 21 V 3.6589 7.6941 119.4249 64.6138 31.2653 178.5457 22 V 3.5038 7.7733 118.9359 65.7070 31.1690 177.6051 23 E 3.8062 7.7704 117.6541 59.5439 29.5837 178.2910 24 D 4.5271 8.2154 117.8928 56.6165 41.0125 176.9793 25 E 4.6088 8.7274 115.0189 54.6076 32.2058 176.6671 26 G 2.9867 7.3281 104.5154 45.5906 0.0000 174.9500 27 I 3.7871 7.9197 121.3908 64.0973 37.9025 177.8484 28 E 3.9785 8.0398 118.7032 59.3850 29.4716 179.1098 29 I 3.6968 7.6904 119.3642 64.4784 37.2000 178.0972 30 Q 3.4840 8.2559 120.4230 59.0502 28.9304 178.4960 31 K 4.3655 8.6037 120.1892 59.3418 31.8924 179.4348 32 S 4.2057 8.0727 113.5809 60.6650 62.9016 175.3957 33 H 4.5884 7.1601 117.9598 57.8804 29.6007 177.0021 34 L 4.2327 7.8794 119.3893 54.5513 41.5574 177.8993 35 G 4.0091 8.6928 108.6382 43.6417 0.0000 174.3729 36 E 4.5513 9.1059 123.6664 54.2484 32.5540 175.7541 37 L 3.4070 8.2807 127.6854 54.2999 42.2467 176.4156 38 V 3.8477 8.5104 127.4847 65.0815 32.5429 176.2868 39 G 3.7344 6.9533 103.3417 45.4987 0.0000 172.2249 40 Y 4.6158 7.6081 122.5789 55.6760 41.2526 174.1142 41 F 5.4407 9.3846 125.7334 55.5902 43.2826 174.2866 42 F 5.7102 8.2551 114.7580 54.7222 40.8010 174.8469 43 S 4.3088 8.8397 115.4503 59.4432 63.1487 173.0471 44 E 4.5967 8.6950 119.2227 57.2213 33.2301 175.4959 45 I 4.5355 8.0768 118.6618 60.6886 40.9441 172.8675 46 G 3.9803 8.8454 114.2384 43.2114 0.0000 172.6243 47 P 4.2965 0.0000 0.0000 62.7278 31.7162 175.8550 48 I 4.2613 8.1884 123.7652 61.4664 38.6578 174.8194 49 N 4.3185 8.7393 117.8888 54.7480 35.6784 173.1628 50 E 5.2738 8.2206 117.9837 54.5400 32.7348 174.4305 51 I 5.1960 8.6544 125.9365 59.5544 41.0494 174.7375 52 V 4.8293 9.1328 126.2009 61.4547 34.7230 173.6995 53 H 5.0235 8.6878 122.8114 53.6046 31.9921 172.3670 54 I 5.1769 8.4677 121.1493 59.4006 40.5389 174.5324 55 W 5.1187 9.2571 125.4566 54.7193 32.7932 174.0371 56 A 4.7538 8.2018 125.3717 50.1281 20.2650 176.2299 57 F 4.9363 8.9775 121.0300 55.4595 41.7987 175.7858 58 S 4.3537 9.2013 118.2336 61.0766 63.3456 174.8221 59 S 4.9492 7.7023 113.8553 55.7186 67.2191 174.5889 60 L 3.7231 7.7542 121.4677 57.2194 41.4017 179.1801 61 D 4.3206 7.8018 118.5974 56.7691 40.7955 177.9695 62 D 4.2847 7.7832 118.5366 56.9944 41.1206 178.1881 63 R 3.0286 7.5820 118.9634 59.0080 29.9532 178.2804 64 A 3.7788 7.6804 120.4854 55.0161 18.2444 179.1881 65 E 3.7763 8.1086 117.6642 59.5622 29.7771 179.3465 66 R 3.9008 8.1676 118.3880 59.3895 29.9307 179.3715 67 R 3.7895 7.9546 116.7788 58.7640 30.0182 178.6721 68 A 4.0832 7.6051 120.2823 55.1151 18.7885 179.5973 69 R 4.0313 7.7523 116.4126 58.8783 29.8752 179.5601 70 L 3.4778 7.3583 117.2138 55.2016 41.9904 177.5789 *72 A 4.2547 7.9976 121.6045 51.2841 20.6311 177.1972 73 D 4.4140 7.7588 115.9853 53.8670 41.5001 175.3115 74 P 4.4440 0.0000 0.0000 65.6912 31.0441 178.4651 75 R 4.0957 8.9318 118.8936 58.6330 29.9072 178.5826 76 W 4.4550 8.4566 128.5207 60.5927 30.5559 178.1911 77 L 3.9184 8.0399 117.3314 57.7784 41.1566 179.1629 78 S 4.2666 7.7793 114.0115 60.7494 63.0730 176.0674 79 F 4.2783 7.7828 123.6775 60.9006 39.2926 177.2461 80 L 3.1542 7.4103 118.9966 57.4111 41.2129 177.9418 81 P 4.1813 0.0000 0.0000 64.8246 31.2901 178.0426 82 K 4.0872 7.7210 116.5884 57.5109 32.3795 177.2490 83 I 4.5223 7.3018 110.2339 59.6923 39.0236 177.1679 84 R 3.7456 7.9485 121.1457 59.1286 29.8360 176.4138 85 D 4.7450 7.8194 114.0688 54.1221 41.7025 176.8364 86 L 4.2600 7.7825 120.2764 55.9995 42.3009 176.4864 87 I 4.4605 7.5692 119.5138 60.3290 37.9593 174.8218 88 E 4.3668 9.3469 125.8884 58.0897 30.9258 176.5388 89 V 4.6067 7.6395 117.7548 61.1737 35.2293 173.7355 90 A 5.6629 8.5123 126.5424 50.7682 22.6322 174.6645 91 E 4.9967 8.5289 114.2217 55.9633 32.2392 174.4276 92 N 5.7767 8.8230 117.6204 51.4896 41.0246 173.3674 93 K 4.7718 9.0315 117.8856 55.7956 36.4132 175.1668 94 I 5.3626 8.1894 121.6908 59.0543 39.7423 175.2203 *96 K 4.1657 8.3593 122.3302 55.5800 33.0714 174.2569 97 P 4.1962 0.0000 0.0000 61.9972 32.3906 176.2509 98 A 3.9148 7.8414 123.4274 51.5995 18.9012 178.7215 99 R 3.7954 8.1324 119.0077 58.7822 30.2226 177.8921 100 F 4.7883 6.8607 110.6723 56.4149 38.1842 175.1757 101 S 4.4640 7.4811 115.9706 57.1670 63.0401 172.4893 102 P 4.3863 0.0000 0.0000 65.5554 31.4520 176.4409 103 L 4.2452 7.6813 121.0350 54.9932 41.5702 176.6622 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 2 F 8.18 4.75 0.00 3.31 3.14 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 3 Y 8.78 4.83 0.00 3.10 2.93 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 4 E 10.56 5.14 0.00 2.25 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 2.42 2.40 0.00 5 I 9.19 4.93 1.92 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 1.31 0.84 0.93 0.00 0.00 6 R 8.64 5.07 0.00 1.27 1.67 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 7 T 8.95 4.95 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 1.25 0.00 0.00 8 Y 8.89 5.41 0.00 2.80 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 9 R 9.19 4.93 0.00 1.86 1.81 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 L 8.84 4.89 0.00 1.50 1.72 0.61 0.77 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 11 K 8.87 4.44 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 N 8.79 4.52 0.00 2.71 2.77 0.00 0.00 7.30 7.98 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 13 G 9.48 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 14 A 8.15 4.37 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 15 I 7.80 3.68 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.69 0.80 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.07 0.00 3.71 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 2.11 2.11 0.00 17 A 7.95 3.98 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 18 Y 8.36 3.95 0.00 3.11 3.24 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 0.00 19 L 8.56 4.05 0.00 1.65 1.65 0.37 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.00 3.89 0.00 1.96 1.91 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.42 7.81 21 V 7.69 3.66 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 0.85 0.00 0.00 1.06 0.00 0.00 22 V 7.77 3.50 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 0.79 0.00 0.00 0.56 0.00 0.00 23 E 7.77 3.81 0.00 1.95 2.16 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 2.28 2.30 0.00 24 D 8.22 4.53 0.00 2.71 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 25 E 8.73 4.61 0.00 1.95 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 2.25 2.25 0.00 26 G 7.33 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 0.00 0.00 0.00 27 I 7.92 3.79 1.79 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 1.46 1.51 0.93 0.00 0.00 28 E 8.04 3.98 0.00 2.00 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 2.37 2.32 0.00 29 I 7.69 3.70 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 1.11 0.00 0.00 30 Q 8.26 3.48 0.00 1.94 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 31 K 8.60 4.37 0.00 1.90 1.96 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.94 7.81 32 S 8.07 4.21 0.00 3.94 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 33 H 7.16 4.59 0.00 3.17 3.19 0.00 5.65 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 34 L 7.88 4.23 0.00 1.12 1.41 -0.25 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.69 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 0.00 0.00 0.00 36 E 9.11 4.55 0.00 1.80 1.80 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 2.27 2.23 0.00 37 L 8.28 3.41 0.00 0.70 1.21 -0.33 0.83 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 38 V 8.51 3.85 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 0.85 0.00 0.00 1.02 0.00 0.00 39 G 6.95 3.73 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 0.00 0.00 0.00 40 Y 7.61 4.62 0.00 2.71 2.58 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 41 F 9.38 5.44 0.00 2.94 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 42 F 8.26 5.71 0.00 3.08 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 43 S 8.84 4.31 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 44 E 8.69 4.60 0.00 1.77 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 2.14 2.36 0.00 45 I 8.08 4.54 1.84 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 1.34 0.77 0.90 0.00 0.00 46 G 8.85 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 47 P 0.00 4.30 0.00 2.16 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 48 I 8.19 4.26 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.95 0.00 0.00 49 N 8.74 4.32 0.00 2.95 3.07 0.00 0.00 6.45 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 50 E 8.22 5.27 0.00 2.08 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 2.24 2.44 0.00 51 I 8.65 5.20 1.84 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.36 1.03 0.00 0.00 52 V 9.13 4.83 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 1.09 0.00 0.00 0.98 0.00 0.00 53 H 8.69 5.02 0.00 2.59 1.58 0.00 5.27 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 54 I 8.47 5.18 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 1.13 0.00 0.00 55 W 9.26 5.12 0.00 3.20 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 56 A 8.20 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.98 4.94 0.00 2.94 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 58 S 9.20 4.35 0.00 4.04 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 59 S 7.70 4.95 0.00 4.04 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 60 L 7.75 3.72 0.00 1.32 1.42 0.60 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.80 4.32 0.00 2.62 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 62 D 7.78 4.28 0.00 2.83 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 63 R 7.58 3.03 0.00 0.79 1.55 0.00 2.55 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 64 A 7.68 3.78 1.26 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 0.00 0.00 0.00 65 E 8.11 3.78 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 66 R 8.17 3.90 0.00 1.99 2.07 0.00 3.49 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 67 R 7.95 3.79 0.00 1.64 1.85 0.00 2.95 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 68 A 7.61 4.08 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 69 R 7.75 4.03 0.00 1.94 1.98 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 70 L 7.36 3.48 0.00 1.26 1.45 -0.34 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.00 4.25 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 73 D 7.76 4.41 0.00 2.79 2.80 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 74 P 0.00 4.44 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.93 4.10 0.00 2.08 2.11 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 76 W 8.46 4.45 0.00 3.40 3.36 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 77 L 8.04 3.92 0.00 1.84 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.78 4.27 0.00 4.08 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 79 F 7.78 4.28 0.00 3.01 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 80 L 7.41 3.15 0.00 1.38 1.42 0.80 0.39 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 81 P 0.00 4.18 0.00 1.87 2.00 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 82 K 7.72 4.09 0.00 1.20 1.65 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.35 1.30 7.81 83 I 7.30 4.52 1.96 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 0.56 0.54 0.53 0.00 0.00 84 R 7.95 3.75 0.00 1.80 1.88 0.00 3.15 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 85 D 7.82 4.74 0.00 2.65 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 86 L 7.78 4.26 0.00 2.01 1.82 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.57 4.46 1.73 0.00 0.00 0.51 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 0.68 0.67 0.00 0.00 88 E 9.35 4.37 0.00 2.02 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 2.27 2.31 0.00 89 V 7.64 4.61 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 1.00 0.00 0.00 0.95 0.00 0.00 90 A 8.51 5.66 1.28 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 0.00 0.00 0.00 91 E 8.53 5.00 0.00 2.05 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 0.00 2.25 2.27 0.00 92 N 8.82 5.78 0.00 2.75 2.86 0.00 0.00 5.84 7.13 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 93 K 9.03 4.77 0.00 1.86 1.93 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 94 I 8.19 5.36 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.97 1.16 0.00 0.00 *96 K 8.36 4.17 0.00 1.74 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.47 7.81 97 P 0.00 4.20 0.00 2.14 1.93 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 98 A 7.84 3.91 0.17 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 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.13 3.80 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 100 F 6.86 4.79 0.00 3.10 3.14 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 0.00 101 S 7.48 4.46 0.00 3.62 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 0.00 102 P 0.00 4.39 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 103 L 7.68 4.25 0.00 1.28 1.42 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.