NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0036 8.2127 108.0442 46.5194 0.0000 172.0658 3 R 4.8556 8.4782 124.7224 53.0429 31.8713 174.9929 4 F 4.9826 7.8472 119.6698 56.1360 42.2167 172.4696 5 V 4.7022 8.5759 119.2281 60.7435 33.1932 175.3783 6 V 4.7253 9.3512 124.2421 61.0618 33.9473 173.7675 7 W 5.2312 9.5627 135.0000 55.1141 32.1536 174.7450 8 P 4.1900 0.0000 0.0000 65.8203 31.3799 178.5966 9 S 3.7237 6.8283 113.5252 61.1943 62.7818 176.2489 10 E 4.4309 8.1745 119.5187 58.0032 29.5137 178.2418 11 L 4.5455 8.0102 116.7482 54.1599 42.6416 174.9781 12 D 5.1034 7.6858 120.6373 52.6557 41.0969 177.2519 13 S 4.3231 8.7208 122.7016 60.3013 63.2046 175.5361 14 R 4.0814 8.2904 119.7053 57.4901 30.1791 176.2926 15 L 4.6719 7.3106 117.9835 52.4888 43.9481 176.5590 16 S 4.4936 8.2488 116.1428 57.7701 64.2769 175.4075 17 R 4.6359 8.5391 121.3843 58.8868 29.4784 179.1367 18 K 3.9976 7.5129 115.8167 59.1477 32.2090 177.3816 19 Y 4.4022 8.4268 114.1813 57.3748 38.3523 174.9351 20 G 3.7642 7.9912 111.5298 45.4228 0.0000 174.5479 21 R 4.3544 8.1441 122.0309 56.6897 30.7171 176.5147 22 I 4.2138 8.4545 125.2791 62.5433 39.1663 177.0224 23 V 4.0049 7.4665 111.5715 59.6007 32.5905 174.1301 24 P 4.2825 0.0000 0.0000 62.8807 31.6919 177.6888 25 R 3.8992 8.6642 122.4261 59.3197 30.1810 177.9161 26 S 4.2871 7.9748 111.4992 60.7573 63.4637 175.2814 27 I 3.8800 7.5889 120.5884 63.4042 37.3888 175.9870 28 A 4.2913 7.8367 120.8317 52.2986 19.1397 177.3004 29 V 4.5148 8.3907 111.3060 59.0795 36.0824 175.0991 30 E 4.0624 8.7902 124.2068 57.0492 29.9079 177.1710 31 S 3.6173 8.8477 122.2363 58.8886 60.1757 170.1890 32 P 4.5213 0.0000 0.0000 62.6817 32.5826 177.5664 33 R 4.5634 8.8625 120.5753 54.4754 33.2475 177.7916 34 V 3.6324 8.3093 121.1222 66.5864 31.4850 178.3257 35 E 3.9970 8.1879 117.5010 59.5252 29.2291 179.1317 36 E 4.0679 8.0413 118.1275 59.3862 29.5628 179.2197 37 I 3.7871 7.9652 119.9384 64.3423 37.1990 178.7171 38 V 3.6068 7.9995 119.0803 65.9232 31.4332 177.8264 39 R 3.8278 8.0622 118.2670 59.4906 29.7890 178.2505 40 A 4.2968 8.5489 120.2790 55.2653 18.4609 179.2271 41 A 3.9254 8.3405 119.5504 55.5620 18.3995 179.8212 42 E 3.9077 8.3158 116.7988 59.6101 29.3567 179.2209 43 E 4.0327 8.0286 117.3948 59.4325 29.6731 178.7213 44 L 4.0630 7.8078 115.8734 53.8966 41.7285 176.9314 45 K 3.9381 7.9281 117.6400 57.4035 30.1483 175.6743 46 F 4.9688 8.2274 116.6978 57.1991 40.1590 175.2922 47 K 4.3083 8.9171 123.6862 55.7375 33.5398 175.7200 48 V 4.2500 8.3760 127.8386 62.4818 31.4606 175.2923 49 I 4.1410 8.6090 130.0383 63.6006 38.1685 176.7269 50 R 4.6754 7.6004 120.2429 54.9525 33.6959 173.9707 51 V 4.8804 8.3916 124.6575 61.2065 34.3416 173.8810 52 E 4.8358 9.2741 128.9994 54.3864 32.6397 174.1684 53 E 5.2581 8.7536 126.1462 54.6902 33.1965 173.4669 54 D 5.0582 9.9343 126.4621 52.3829 44.3229 174.2967 55 K 5.1777 8.8891 124.6051 54.5061 34.9084 175.8840 56 L 4.6961 8.9738 123.2872 54.4954 43.0978 175.5415 *67 L 4.5630 7.9100 120.2578 55.2796 42.8440 177.3984 68 R 4.2013 8.8143 124.0004 56.8573 30.8112 173.1250 69 T 4.9622 8.0760 119.6386 61.2506 70.7291 174.0470 70 F 4.8761 9.2874 124.2563 55.9016 42.7730 174.4323 71 G 4.5076 8.8732 108.8700 46.3651 0.0000 171.6179 72 M 5.2749 8.8351 115.5363 54.3327 34.9177 173.9234 73 I 5.0609 8.8263 120.7145 59.6626 41.5961 174.3194 74 V 4.7549 8.8690 126.5444 61.1926 33.7194 174.4545 75 L 5.1446 8.7348 127.1108 52.7427 45.9502 174.7980 76 E 4.8474 8.9487 122.5663 54.4584 31.9971 174.7528 77 S 4.5538 8.6906 120.9544 55.6456 65.2519 172.3363 78 P 4.0893 0.0000 0.0000 64.6377 31.1618 175.6479 79 Y 4.8981 7.0614 114.2441 55.1599 41.1872 175.5851 80 G 3.8378 8.3625 107.6829 44.1416 0.0000 174.6443 81 K 2.4800 7.9029 120.2250 58.8333 31.9668 178.3614 82 S 3.9694 7.8170 112.8703 61.4226 62.2602 175.9492 83 K 3.8860 7.8908 121.4741 59.6882 31.9322 178.7223 84 S 4.4862 8.1217 115.4242 61.6969 62.6888 176.6420 85 L 4.0860 8.3786 122.1404 57.7593 41.2866 179.8122 86 K 4.0016 7.9475 118.1821 59.4713 32.0067 179.4533 87 L 4.0063 8.0765 119.2902 57.7567 41.4852 179.7479 88 I 3.7168 8.2794 119.8687 64.2757 37.0687 178.2539 89 A 3.9792 8.3713 122.0238 55.3883 18.2386 179.7234 90 Q 3.8565 8.2275 116.6014 58.8722 28.6665 178.9781 91 K 3.5440 7.8798 120.7133 59.3114 32.1106 179.0108 92 I 3.5689 7.6299 120.1587 64.1654 37.0184 178.2582 93 R 3.8244 7.9936 119.6448 59.3906 29.6246 178.3206 94 E 3.8768 7.6963 117.0532 59.5277 29.5729 178.8008 95 F 4.6406 7.4088 116.2827 61.1727 39.4405 177.9151 96 R 4.2735 8.5313 119.7689 59.3285 29.5284 178.7735 97 R 4.6152 7.8093 121.4456 58.7988 29.6683 181.2169 98 R 4.4236 7.7929 123.7412 57.7984 30.7471 178.0101 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 G 8.21 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 3 R 8.48 4.86 0.00 1.83 1.78 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 4 F 7.85 4.98 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 4.70 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 0.79 0.00 0.00 1.09 0.00 0.00 6 V 9.35 4.73 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 1.06 0.00 0.00 1.23 0.00 0.00 7 W 9.56 5.23 0.00 3.39 3.27 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 8 P 0.00 4.19 0.00 2.03 2.16 0.00 3.78 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 9 S 6.83 3.72 0.00 2.72 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 10 E 8.17 4.43 0.00 2.19 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 2.54 2.61 0.00 11 L 8.01 4.55 0.00 1.65 1.62 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.69 5.10 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.72 4.32 0.00 3.95 3.84 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 14 R 8.29 4.08 0.00 1.92 1.96 0.00 3.28 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 15 L 7.31 4.67 0.00 1.73 1.60 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.25 4.49 0.00 4.08 4.04 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 0.00 0.00 0.00 17 R 8.54 4.64 0.00 1.91 2.06 0.00 3.43 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 18 K 7.51 4.00 0.00 1.79 2.01 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.46 7.81 19 Y 8.43 4.40 0.00 3.01 3.05 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 20 G 7.99 3.76 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 0.00 21 R 8.14 4.35 0.00 1.84 1.83 0.00 3.23 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 22 I 8.45 4.21 1.90 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 1.35 1.03 0.91 0.00 0.00 23 V 7.47 4.00 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 0.71 0.00 0.00 0.97 0.00 0.00 24 P 0.00 4.28 0.00 2.16 1.98 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 25 R 8.66 3.90 0.00 1.76 1.96 0.00 3.22 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 S 7.97 4.29 0.00 4.00 3.97 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 0.00 0.00 0.00 27 I 7.59 3.88 1.97 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 1.33 0.54 0.89 0.00 0.00 28 A 7.84 4.29 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 29 V 8.39 4.51 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 0.66 0.00 0.00 0.97 0.00 0.00 30 E 8.79 4.06 0.00 1.95 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 2.26 2.31 0.00 31 S 8.85 3.62 0.00 3.96 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 32 P 0.00 4.52 0.00 2.13 2.04 0.00 3.39 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 33 R 8.86 4.56 0.00 1.86 2.03 0.00 3.13 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 34 V 8.31 3.63 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 1.11 0.00 0.00 0.97 0.00 0.00 35 E 8.19 4.00 0.00 2.09 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 2.39 2.47 0.00 36 E 8.04 4.07 0.00 2.23 2.13 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 0.00 2.46 2.43 0.00 37 I 7.97 3.79 2.08 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 1.47 0.83 1.02 0.00 0.00 38 V 8.00 3.61 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 39 R 8.06 3.83 0.00 1.89 2.03 0.00 2.80 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.33 0.00 40 A 8.55 4.30 1.50 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 0.00 0.00 41 A 8.34 3.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.91 0.00 2.18 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 2.34 2.47 0.00 43 E 8.03 4.03 0.00 2.19 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 0.00 2.57 2.96 0.00 44 L 7.81 4.06 0.00 0.62 0.68 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 3.94 0.00 1.88 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 46 F 8.23 4.97 0.00 2.96 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 47 K 8.92 4.31 0.00 1.83 1.64 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 48 V 8.38 4.25 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 0.86 0.00 0.00 0.97 0.00 0.00 49 I 8.61 4.14 1.92 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 1.04 0.87 0.88 0.00 0.00 50 R 7.60 4.68 0.00 1.84 1.70 0.00 3.12 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 V 8.39 4.88 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 0.87 0.00 0.00 0.96 0.00 0.00 52 E 9.27 4.84 0.00 2.04 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 2.21 2.38 0.00 53 E 8.75 5.26 0.00 2.00 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 2.23 2.35 0.00 54 D 9.93 5.06 0.00 2.76 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 55 K 8.89 5.18 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.47 7.81 56 L 8.97 4.70 0.00 1.83 1.67 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *67 L 7.91 4.56 0.00 1.57 1.76 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.81 4.20 0.00 1.51 1.80 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 69 T 8.08 4.96 4.13 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 0.00 0.00 0.00 1.27 0.00 0.00 70 F 9.29 4.88 0.00 3.03 3.02 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 71 G 8.87 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.84 5.27 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 73 I 8.83 5.06 1.96 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 1.18 0.95 0.99 0.00 0.00 74 V 8.87 4.75 2.13 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 1.02 0.00 0.00 0.94 0.00 0.00 75 L 8.73 5.14 0.00 0.89 1.16 1.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.95 4.85 0.00 1.85 1.67 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 2.08 2.09 0.00 77 S 8.69 4.55 0.00 2.72 3.40 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 78 P 0.00 4.09 0.00 0.49 1.70 0.00 3.32 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 79 Y 7.06 4.90 0.00 2.97 2.81 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 80 G 8.36 3.84 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 0.00 0.00 0.00 81 K 7.90 2.48 0.00 0.79 1.39 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 0.95 7.81 82 S 7.82 3.97 0.00 3.85 3.79 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 83 K 7.89 3.89 0.00 1.80 1.79 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.37 7.81 84 S 8.12 4.49 0.00 4.11 4.10 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 85 L 8.38 4.09 0.00 1.83 1.74 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.95 4.00 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 87 L 8.08 4.01 0.00 2.06 1.78 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.28 3.72 2.19 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.96 1.00 0.00 0.00 89 A 8.37 3.98 1.40 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 0.00 0.00 90 Q 8.23 3.86 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 91 K 7.88 3.54 0.00 1.87 1.62 0.00 1.24 0.00 0.00 1.51 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 0.58 7.81 92 I 7.63 3.57 1.96 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 1.56 0.64 0.97 0.00 0.00 93 R 7.99 3.82 0.00 1.82 2.03 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 94 E 7.70 3.88 0.00 1.84 1.90 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 2.27 2.38 0.00 95 F 7.41 4.64 0.00 3.15 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 96 R 8.53 4.27 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 97 R 7.81 4.62 0.00 1.93 1.79 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 98 R 7.79 4.42 0.00 1.81 1.65 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.