NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0437 8.2644 123.5769 52.9162 19.8028 177.4333 2 V 2.7156 7.5476 119.8098 63.3593 29.5304 169.5662 3 I 4.3408 7.7772 128.0114 59.6878 38.5996 175.0913 4 N 5.0765 8.4424 121.7393 51.9322 38.4891 174.1965 5 T 4.5731 7.6472 109.5079 60.5811 72.1827 175.1169 6 F 4.2522 8.2660 120.1421 61.1493 38.9662 177.7963 7 D 4.5583 8.3350 117.9655 57.1840 40.7446 178.7818 8 G 3.7119 8.1749 106.3306 48.0118 0.0000 175.9384 9 V 3.6593 8.0910 120.8476 65.3360 31.5645 177.8895 10 A 4.0500 8.1407 120.5949 55.5214 18.2914 179.4520 11 D 4.3313 8.4133 117.4286 57.3631 40.7661 178.3917 12 Y 4.0826 8.1948 120.2236 60.7260 38.7653 178.0010 13 L 4.1155 8.3345 120.1845 57.9820 41.5089 179.6889 14 I 3.2770 7.3292 118.3552 64.1665 37.1004 178.2716 15 R 3.5718 7.4864 118.2073 58.8151 29.1576 177.2399 16 Y 4.4338 7.6829 114.3384 56.4226 38.7102 176.6535 17 K 3.4035 7.8885 118.3964 56.3731 30.2246 175.1903 18 R 4.8246 7.2665 113.3049 54.8235 32.3370 174.6782 19 L 4.1306 8.2900 118.7600 53.7967 42.5916 175.3886 20 P 3.9059 0.0000 0.0000 62.3432 31.7203 177.2197 21 N 4.6080 8.3710 116.1534 55.0535 38.6316 175.8400 22 D 4.4898 7.8723 117.4585 53.7822 40.1684 174.8292 23 Y 5.0777 7.5625 118.3422 56.6044 39.6256 175.2105 24 I 4.8632 8.5467 116.5830 59.0979 41.4948 175.1607 25 T 4.5208 8.4593 114.4599 61.2546 70.2537 175.4993 26 K 3.9316 9.3242 121.7134 59.7209 31.9643 179.9517 27 S 4.2501 8.1171 114.0570 61.2977 62.9164 176.2334 28 Q 3.9280 7.9183 121.8521 58.9353 28.8706 177.7663 29 A 4.0154 8.2901 122.1878 55.3896 18.3696 179.4964 30 S 4.4996 8.8742 112.6951 61.1045 62.2613 176.2329 31 A 4.1005 7.9560 122.4046 54.8705 18.1918 178.7596 32 L 4.3601 7.4103 115.2722 54.7082 42.0797 177.4856 33 G 4.1622 7.7778 107.1708 44.8395 0.0000 173.9942 34 W 4.5053 8.7172 131.2968 57.0615 31.4140 175.1111 35 V 3.7123 8.5553 124.4304 60.4449 33.4045 175.7503 36 A 3.7144 7.5533 130.9798 55.1357 18.3237 179.3844 37 S 4.3590 7.7895 108.9394 60.7420 63.3079 175.2728 38 K 4.1677 8.0435 119.3599 56.0931 32.0070 176.7175 39 G 3.4231 7.7695 107.5614 46.6806 0.0000 174.2084 40 D 5.1843 7.9680 117.2774 52.1828 39.9293 176.4877 41 L 3.9952 8.1469 123.7850 58.9085 41.5943 178.8121 42 A 4.0444 8.1597 119.9258 54.8959 17.7999 179.2153 43 E 4.0157 8.1657 116.9898 59.1722 29.5882 179.0361 44 V 4.0504 7.7526 110.6673 62.0841 33.5678 176.6533 45 A 4.6634 8.1649 121.3541 49.2387 19.0793 172.9371 46 P 4.5737 0.0000 0.0000 62.7524 32.2428 177.7274 47 G 3.8847 8.8466 110.1573 45.3870 0.0000 173.2267 48 K 4.6646 7.6212 118.5495 55.2533 34.0697 176.1534 49 S 4.5810 8.3694 117.5108 56.4500 67.5020 173.5239 50 I 4.3268 7.9494 123.0844 61.3860 37.9140 175.3956 51 G 4.2415 9.1976 112.6824 46.9352 0.0000 173.6828 52 G 4.3329 9.6995 109.6533 44.9713 0.0000 174.3168 53 D 4.6310 8.0063 119.5899 53.9444 42.1949 176.0103 54 V 4.0784 8.4314 121.4440 63.3292 32.4143 174.9555 55 F 4.8225 8.7336 130.4614 56.2196 39.9968 175.5791 56 S 3.9426 8.3885 121.9130 59.4461 62.9908 174.2278 57 N 3.9326 7.2333 117.7295 54.3095 37.1234 175.8454 58 R 3.9135 7.7096 116.9044 58.5049 29.0128 177.4609 59 E 4.1003 8.0933 115.5626 55.9954 29.7875 177.0690 60 G 4.1543 7.7988 106.7399 46.5019 0.0000 175.6167 61 R 3.9901 7.4216 120.8393 57.6817 30.3285 177.1764 62 L 4.1101 7.2590 116.8606 51.3559 43.5193 174.5366 63 P 4.3714 0.0000 0.0000 63.1676 31.8021 175.8971 64 S 4.8972 8.4609 116.9590 57.2175 65.0260 173.2417 65 A 4.6661 8.0313 124.5304 50.3629 22.0115 175.9552 66 G 3.7421 8.4938 111.6982 47.6856 0.0000 175.0757 *67 S 4.1107 8.8145 118.7178 57.8444 60.1029 166.8170 68 R 4.1478 7.6663 121.1915 56.3824 30.6465 175.4056 69 T 4.7824 8.0470 114.4622 59.6138 72.7228 172.5580 70 W 5.4669 8.4741 119.6165 55.0944 33.6071 174.7188 71 R 5.2695 8.6254 120.9749 54.3731 34.4473 173.8414 72 E 5.4188 8.9365 117.1665 54.9753 33.5648 174.4623 73 A 5.0184 9.0237 121.1463 50.5925 23.0195 175.4297 74 D 5.0380 9.1526 121.6454 54.3378 41.6847 176.1474 75 I 4.4143 8.2625 122.3098 60.2208 40.8794 175.8407 76 N 4.2754 8.9457 121.5004 54.0999 36.3560 173.8066 77 Y 4.2314 7.3694 120.6974 57.4221 39.4049 174.5280 78 V 3.7851 7.0461 124.3262 63.1060 33.6846 175.1526 79 S 4.1774 6.4819 109.7745 59.1143 65.6078 175.6348 80 G 3.7522 8.5415 107.6611 45.7564 0.0000 173.3530 81 F 4.5263 8.3585 118.4750 57.3139 39.6577 175.4479 82 R 4.2514 8.8107 122.5943 56.6622 30.6977 176.8725 83 N 4.9242 8.5319 117.7613 52.2018 39.9952 174.4066 84 A 4.6251 8.5127 119.1791 52.5053 20.6400 176.2642 85 D 5.5198 8.4941 117.3711 52.9986 43.0028 176.0446 86 R 5.0324 9.2490 121.3088 54.5794 35.2748 173.5640 87 L 5.3532 9.1180 124.0290 53.4486 44.9589 175.1642 88 V 5.0143 9.2187 126.0138 61.2221 34.3901 173.6932 89 Y 5.7074 9.0474 125.9140 55.4082 41.4666 175.1714 90 S 4.2733 8.5000 117.4779 56.4758 65.0154 175.3117 91 S 3.5684 7.9029 114.9937 60.1002 62.8211 174.7572 92 D 4.5410 7.1926 119.3276 52.6698 39.3000 176.1879 93 W 3.7400 6.5628 116.6989 58.2353 26.9666 174.3538 94 L 4.3839 7.6857 118.7629 54.6219 42.0057 176.0948 95 I 5.3352 8.7504 122.8901 59.9876 40.7069 174.1017 96 Y 5.2825 9.6996 124.9437 55.9474 41.5217 174.8608 97 K 5.3238 9.2261 120.9957 55.5254 36.1925 174.8209 98 T 4.7481 8.9772 115.7531 60.4584 70.7474 174.0950 99 T 5.2021 8.8161 115.8208 60.5494 69.1550 173.4978 100 D 4.7509 7.2334 121.3067 53.8323 40.2127 174.5984 101 H 3.3312 8.9294 114.5498 58.7735 28.5006 174.3663 102 Y 3.2686 7.5617 111.8284 58.2864 36.2499 171.0413 103 A 4.1577 7.6964 124.2921 54.7018 18.6214 178.7727 104 T 4.7031 7.8771 103.3420 59.7926 71.8768 173.0482 105 F 5.2883 8.5796 120.1973 56.1948 43.0815 174.4304 106 T 4.7686 8.9839 117.6362 61.6473 72.1769 173.3736 107 R 3.7119 8.6404 127.1594 55.9677 30.1864 175.9498 108 I 4.4288 8.7079 118.4275 60.6741 39.8932 175.7740 109 R 4.1836 7.5812 124.9168 56.4574 31.1050 174.5776 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 A 8.26 4.04 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 2 V 7.55 2.72 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 0.67 0.00 0.00 0.90 0.00 0.00 3 I 7.78 4.34 1.76 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.92 0.00 0.00 4 N 8.44 5.08 0.00 2.77 2.84 0.00 0.00 5.86 7.22 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 5 T 7.65 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 1.20 0.00 0.00 6 F 8.27 4.25 0.00 3.23 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 7 D 8.33 4.56 0.00 2.79 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 8 G 8.17 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 0.00 0.00 0.00 9 V 8.09 3.66 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 0.91 0.00 0.00 1.05 0.00 0.00 10 A 8.14 4.05 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 11 D 8.41 4.33 0.00 2.84 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 12 Y 8.19 4.08 0.00 3.31 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 13 L 8.33 4.12 0.00 1.91 1.79 0.45 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.33 3.28 1.76 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 1.62 0.73 0.76 0.00 0.00 15 R 7.49 3.57 0.00 1.47 1.11 0.00 2.49 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 16 Y 7.68 4.43 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 17 K 7.89 3.40 0.00 1.84 1.89 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.04 1.30 7.81 18 R 7.27 4.82 0.00 2.18 1.98 0.00 3.16 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 19 L 8.29 4.13 0.00 1.69 1.54 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.91 0.00 2.23 1.14 0.00 3.45 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 2.11 1.46 0.00 21 N 8.37 4.61 0.00 2.67 2.85 0.00 0.00 6.92 8.06 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 22 D 7.87 4.49 0.00 2.77 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 23 Y 7.56 5.08 0.00 3.09 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 24 I 8.55 4.86 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.90 0.00 0.00 25 T 8.46 4.52 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 K 9.32 3.93 0.00 1.95 2.19 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.67 7.81 27 S 8.12 4.25 0.00 4.10 4.19 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 28 Q 7.92 3.93 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 29 A 8.29 4.02 1.24 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 0.00 0.00 30 S 8.87 4.50 0.00 4.22 4.15 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 31 A 7.96 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.41 4.36 0.00 1.76 1.76 0.93 0.96 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 33 G 7.78 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 34 W 8.72 4.51 0.00 3.38 3.18 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 35 V 8.56 3.71 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 0.80 0.00 0.00 0.89 0.00 0.00 36 A 7.55 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.79 4.36 0.00 4.02 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 38 K 8.04 4.17 0.00 1.85 1.87 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.33 7.81 39 G 7.77 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 5.18 0.00 2.90 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 41 L 8.15 4.00 0.00 1.54 1.72 0.53 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.16 4.04 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 43 E 8.17 4.02 0.00 2.22 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 2.39 2.45 0.00 44 V 7.75 4.05 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 0.81 0.00 0.00 1.10 0.00 0.00 45 A 8.16 4.66 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 46 P 0.00 4.57 0.00 2.03 2.00 0.00 3.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 47 G 8.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.62 4.66 0.00 1.68 1.60 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.49 7.81 49 S 8.37 4.58 0.00 2.90 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 4.33 1.83 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.24 0.81 0.00 0.00 51 G 9.20 4.24 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 0.00 0.00 0.00 52 G 9.70 4.33 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 0.00 53 D 8.01 4.63 0.00 2.70 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 54 V 8.43 4.08 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 55 F 8.73 4.82 0.00 3.02 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 56 S 8.39 3.94 0.00 3.85 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 57 N 7.23 3.93 0.00 2.79 2.82 0.00 0.00 7.24 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 58 R 7.71 3.91 0.00 1.69 1.89 0.00 3.36 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 59 E 8.09 4.10 0.00 1.97 1.93 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 2.31 2.18 0.00 60 G 7.80 4.15 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 0.00 0.00 0.00 61 R 7.42 3.99 0.00 1.90 2.02 0.00 3.24 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 62 L 7.26 4.11 0.00 0.61 0.18 -0.86 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.31 2.13 0.00 3.44 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 64 S 8.46 4.90 0.00 3.90 3.85 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 65 A 8.03 4.67 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 66 G 8.49 3.74 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 0.00 0.00 0.00 *67 S 8.81 4.11 0.00 3.84 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 68 R 7.67 4.15 0.00 1.62 1.86 0.00 3.17 0.00 0.00 2.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.14 0.00 69 T 8.05 4.78 4.19 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 1.16 0.00 0.00 70 W 8.47 5.47 0.00 3.51 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 71 R 8.63 5.27 0.00 0.67 1.45 0.00 3.07 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 72 E 8.94 5.42 0.00 2.16 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 2.38 2.39 0.00 73 A 9.02 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.15 5.04 0.00 2.73 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 75 I 8.26 4.41 1.41 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 1.35 1.02 -0.27 0.00 0.00 76 N 8.95 4.28 0.00 2.79 2.89 0.00 0.00 6.93 7.00 0.00 0.00 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 Y 7.37 4.23 0.00 3.05 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 78 V 7.05 3.79 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 0.76 0.00 0.00 0.84 0.00 0.00 79 S 6.48 4.18 0.00 3.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 0.00 0.00 0.00 81 F 8.36 4.53 0.00 3.19 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 82 R 8.81 4.25 0.00 1.96 1.95 0.00 3.12 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 83 N 8.53 4.92 0.00 2.87 2.98 0.00 0.00 5.94 7.26 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 84 A 8.51 4.63 1.32 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 85 D 8.49 5.52 0.00 2.81 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 86 R 9.25 5.03 0.00 1.62 1.82 0.00 3.56 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.00 87 L 9.12 5.35 0.00 1.92 1.66 1.31 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.22 5.01 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 0.31 0.00 0.00 0.67 0.00 0.00 89 Y 9.05 5.71 0.00 3.15 3.10 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 0.00 0.00 0.00 90 S 8.50 4.27 0.00 2.72 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 91 S 7.90 3.57 0.00 3.76 3.74 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 92 D 7.19 4.54 0.00 2.71 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 93 W 6.56 3.74 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.38 0.00 1.74 1.93 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.75 5.34 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.10 0.00 0.00 96 Y 9.70 5.28 0.00 2.80 2.92 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 97 K 9.23 5.32 0.00 1.27 1.68 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.57 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 1.06 7.81 98 T 8.98 4.75 3.64 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 1.06 0.00 0.00 99 T 8.82 5.20 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 1.24 0.00 0.00 100 D 7.23 4.75 0.00 2.78 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 0.00 101 H 8.93 3.33 0.00 3.24 3.37 0.00 5.80 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 0.00 102 Y 7.56 3.27 0.00 3.19 3.22 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 0.00 103 A 7.70 4.16 1.36 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 0.00 104 T 7.88 4.70 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 1.22 0.00 0.00 105 F 8.58 5.29 0.00 2.91 3.10 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 0.00 0.00 0.00 106 T 8.98 4.77 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 1.17 0.00 0.00 107 R 8.64 3.71 0.00 1.03 1.56 0.00 3.00 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.00 108 I 8.71 4.43 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.80 0.00 0.00 109 R 7.58 4.18 0.00 1.86 1.82 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.