NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8379 8.3544 109.7351 45.7334 0.0000 172.9566 0 D 4.3319 8.0058 125.4137 54.0430 42.8664 173.1389 2 T 3.7373 9.3547 118.4672 63.8364 68.6364 170.8439 3 L 4.9702 8.1465 125.4807 54.2123 42.9256 175.9361 4 E 4.7858 9.3286 120.1831 54.3528 33.5484 174.6136 5 K 4.7151 8.5472 120.6759 56.3420 33.3315 175.7443 6 H 5.0884 9.4922 124.8287 54.3053 32.7344 172.1767 7 A 5.3716 8.5011 126.0815 50.4412 22.9194 174.2127 8 F 5.3851 8.3446 113.2999 55.8919 42.0883 172.8168 9 K 5.5760 9.0462 118.4112 53.8778 36.3908 174.6283 *11 Q 4.3909 8.4190 120.3692 55.9462 29.6396 173.7993 12 L 4.4982 8.3156 128.7162 53.5740 43.4189 176.0109 13 N 4.5625 8.8851 123.4128 52.3688 39.3389 173.4115 14 P 4.0527 0.0000 0.0000 64.6194 32.3245 176.5133 15 G 3.5260 8.4447 109.1436 46.2287 0.0000 173.1707 *17 E 4.3084 7.9606 121.0843 56.0973 32.1095 177.2970 18 A 4.0091 7.9774 119.8109 55.1990 18.3981 179.0430 19 E 3.9021 8.1578 117.4042 59.4601 29.8255 178.1285 20 Y 3.9563 8.0409 119.1427 60.7010 38.8414 177.8944 21 R 3.9338 8.3949 119.7419 59.3344 30.3341 178.3823 22 K 3.9457 8.1995 119.3620 59.6950 32.0112 179.0188 23 R 3.9913 7.9904 117.3381 59.5978 30.2181 178.4870 24 H 4.3184 8.2194 115.9252 58.5920 28.4675 177.4313 25 D 4.4702 8.3415 120.5535 56.5753 40.6116 177.5671 26 E 4.6621 7.5869 116.8212 54.9223 31.0544 175.9451 27 I 3.4119 6.9588 119.0510 61.0208 38.6674 176.1721 28 W 4.5314 7.7965 127.1558 55.9145 30.4439 175.7271 29 P 4.2884 0.0000 0.0000 66.0938 30.6036 178.5806 30 E 3.9417 8.2012 116.7809 58.8927 29.5382 178.8534 31 L 3.7957 7.8738 121.0577 57.8319 42.1541 178.6131 32 V 3.3888 7.5298 118.2267 66.2400 31.3083 177.6964 33 D 4.3251 8.2101 118.5397 57.2232 40.6320 178.6144 34 L 3.8506 7.9353 120.7481 58.0436 42.0672 178.9783 35 L 3.9112 8.1487 119.3083 58.0589 41.5852 179.0762 36 H 4.5175 8.2110 117.6123 58.6210 28.4957 177.7223 37 Q 4.0605 8.0802 118.5567 59.0196 28.8285 178.8261 38 S 4.7937 7.5691 115.3106 58.5055 63.3268 175.4212 39 G 4.1089 8.0348 110.6044 45.1620 0.0000 173.1221 40 A 4.6409 8.3607 124.5544 51.4259 19.3822 177.1262 41 S 4.5686 8.6500 116.3592 57.0184 66.6934 172.8425 42 D 4.3647 8.5394 117.1964 55.4821 39.1502 172.3000 43 Y 5.4937 7.9054 118.9940 56.4384 40.4952 175.3373 44 S 4.7810 9.4158 120.6818 56.6528 67.0176 172.9490 45 I 5.1488 8.0402 120.8048 60.0148 40.7870 174.5225 46 H 4.9421 9.2176 122.1004 53.9935 33.1089 171.8997 47 L 4.8975 8.5625 124.2866 53.5777 43.8204 175.1996 48 D 4.7049 9.2644 127.2674 53.1805 41.1638 177.1762 49 R 3.9799 8.7030 126.3800 58.9119 30.5797 178.2612 50 E 4.0764 8.5654 118.3749 58.6141 29.6890 177.1829 51 T 4.4116 7.4007 104.7888 60.4406 69.9203 173.6579 52 N 4.1916 8.3187 118.9055 54.6213 37.0314 173.4192 53 T 4.2378 7.4656 115.1228 63.2622 69.9684 173.6876 54 L 4.9017 8.1185 125.6410 53.1507 44.2150 175.1708 55 F 4.9393 9.4002 123.1533 55.7047 41.3594 174.7922 56 G 4.1204 8.4795 111.9346 44.2598 0.0000 172.5042 57 V 5.2438 8.7200 121.8766 59.9453 35.1509 173.9384 58 L 5.3133 8.9379 122.7157 54.8852 44.6359 174.2612 59 T 5.2071 8.8596 116.6500 62.1105 70.9960 174.1557 60 R 5.6771 8.9650 120.6025 54.2977 33.2777 172.7321 61 P 4.7593 0.0000 0.0000 62.8753 32.1857 176.8975 62 K 3.8745 8.8479 122.0826 59.1686 32.6207 177.7362 63 D 4.9567 7.8581 118.8696 54.2035 40.4208 176.8530 64 H 4.3709 7.8654 114.3588 55.5590 29.8314 174.9062 65 T 4.2097 8.5721 109.6627 59.8822 68.9184 174.4784 *67 A 4.3253 8.3875 129.7294 52.0253 20.7664 177.9024 68 S 4.4543 7.8665 110.4636 59.8815 62.9598 176.3333 69 L 3.9900 7.8406 122.3262 57.2957 41.1887 177.2286 70 P 4.3976 0.0000 0.0000 65.3022 31.3778 177.3097 71 D 4.7093 7.7923 114.8411 53.7721 39.9123 175.5435 72 H 4.5132 7.9331 121.9190 54.1363 30.9709 173.7916 73 P 4.4899 0.0000 0.0000 66.0606 31.5349 178.7379 74 V 4.0158 7.5101 114.5773 63.4149 30.9698 177.7025 *76 K 4.3769 8.1773 119.4539 55.9573 34.0320 178.4248 77 K 4.1494 8.6292 118.6473 59.2144 31.6845 179.2311 78 W 3.8766 8.3100 127.7133 60.2419 30.6793 177.7287 79 W 4.5906 8.1861 117.1148 59.7879 28.6196 177.7731 80 A 4.2808 8.3433 120.0938 55.3574 17.8582 179.6019 81 H 4.1700 8.1199 111.8142 57.2675 28.8596 175.8790 *83 A 4.3313 8.0198 124.2991 51.5942 20.2134 179.0749 84 D 4.4013 8.1155 113.8006 55.0249 39.9671 176.5747 85 I 4.2980 7.0848 115.0970 60.2801 38.2026 174.8597 *87 A 4.3041 7.9466 123.1499 53.2926 19.5094 176.6577 88 T 4.9172 8.0936 111.9922 59.5688 72.0255 173.4657 89 N 4.6666 8.8006 120.8940 51.6412 39.6971 174.5222 90 P 4.2115 0.0000 0.0000 65.9709 31.2829 177.1839 91 D 4.6876 7.9624 114.7902 53.2359 39.3150 177.1471 92 N 4.4953 8.1814 116.3980 53.7857 37.7900 175.0263 93 S 2.8578 7.6799 113.9141 56.2778 63.6762 172.0957 94 P 4.4538 0.0000 0.0000 62.5126 31.5567 176.2058 95 V 3.6524 8.0107 121.9112 63.4064 31.7819 175.0346 96 Q 5.5437 8.6609 127.7557 54.6939 32.2528 173.5029 97 S 4.8608 8.5543 118.7450 56.5115 66.7795 172.8077 98 D 4.9918 8.8325 121.5334 54.4881 41.4863 175.7374 99 L 4.7964 8.7088 122.2105 53.2700 44.3482 175.9728 100 V 4.2811 8.1183 120.2038 61.3280 32.9779 175.5310 101 T 4.1803 8.5440 124.3003 63.5967 68.6071 174.2864 102 L 4.6176 8.3799 125.6101 54.8747 43.2777 176.4100 103 F 4.8763 7.6961 118.2987 57.5888 42.1031 172.1434 104 H 4.2331 7.8562 125.6393 54.1726 32.9867 171.1027 *106 P 4.0755 0.0000 0.0000 62.8500 31.5520 176.5756 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 G 8.35 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 0 D 8.01 4.33 0.00 2.77 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 2 T 9.35 3.74 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 1.21 0.00 0.00 3 L 8.15 4.97 0.00 1.51 1.57 0.91 0.86 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 4 E 9.33 4.79 0.00 1.93 1.99 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 2.41 2.26 0.00 5 K 8.55 4.72 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.19 7.81 6 H 9.49 5.09 0.00 3.17 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.50 5.37 1.22 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 0.00 0.00 8 F 8.34 5.39 0.00 3.22 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 9 K 9.05 5.58 0.00 1.33 1.59 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.10 7.81 *11 Q 8.42 4.39 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 12 L 8.32 4.50 0.00 1.38 1.37 0.85 0.73 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 13 N 8.89 4.56 0.00 2.65 2.72 0.00 0.00 6.98 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 14 P 0.00 4.05 0.00 2.02 1.99 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 15 G 8.44 3.53 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 0.00 *17 E 7.96 4.31 0.00 2.03 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 2.33 0.00 18 A 7.98 4.01 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 19 E 8.16 3.90 0.00 2.11 1.99 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 2.37 2.41 0.00 20 Y 8.04 3.96 0.00 3.11 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 21 R 8.39 3.93 0.00 2.00 2.21 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 22 K 8.20 3.95 0.00 1.90 2.02 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 23 R 7.99 3.99 0.00 1.75 1.73 0.00 2.93 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 24 H 8.22 4.32 0.00 3.17 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.34 4.47 0.00 2.84 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 26 E 7.59 4.66 0.00 2.07 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 2.32 2.41 0.00 27 I 6.96 3.41 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.83 0.00 0.00 28 W 7.80 4.53 0.00 3.32 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 29 P 0.00 4.29 0.00 2.26 2.33 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 30 E 8.20 3.94 0.00 2.19 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 0.00 2.50 2.34 0.00 31 L 7.87 3.80 0.00 1.60 1.45 0.64 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.53 3.39 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 0.89 0.00 0.00 0.81 0.00 0.00 33 D 8.21 4.33 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.85 0.00 1.71 1.75 0.61 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.15 3.91 0.00 1.76 1.69 0.94 0.97 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 36 H 8.21 4.52 0.00 3.37 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.08 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 38 S 7.57 4.79 0.00 4.05 4.17 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 39 G 8.03 4.11 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 0.00 0.00 0.00 40 A 8.36 4.64 1.22 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 0.00 0.00 41 S 8.65 4.57 0.00 3.97 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 42 D 8.54 4.36 0.00 2.93 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 43 Y 7.91 5.49 0.00 2.93 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 44 S 9.42 4.78 0.00 3.80 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 45 I 8.04 5.15 1.85 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 1.37 0.42 0.97 0.00 0.00 46 H 9.22 4.94 0.00 3.10 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.56 4.90 0.00 1.54 1.54 0.87 1.19 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 48 D 9.26 4.70 0.00 3.07 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 49 R 8.70 3.98 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 50 E 8.57 4.08 0.00 1.93 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 0.00 2.30 2.30 0.00 51 T 7.40 4.41 4.23 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 1.24 0.00 0.00 52 N 8.32 4.19 0.00 2.91 3.02 0.00 0.00 6.95 6.62 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 53 T 7.47 4.24 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 0.24 0.00 0.00 54 L 8.12 4.90 0.00 1.42 1.42 0.51 0.54 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 55 F 9.40 4.94 0.00 2.88 2.88 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 56 G 8.48 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 57 V 8.72 5.24 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 1.00 0.00 0.00 58 L 8.94 5.31 0.00 1.83 1.63 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.86 5.21 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 1.20 0.00 0.00 60 R 8.97 5.68 0.00 1.82 1.90 0.00 2.60 0.00 0.00 3.12 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 61 P 0.00 4.76 0.00 2.14 2.22 0.00 3.84 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 2.09 2.01 0.00 62 K 8.85 3.87 0.00 1.78 1.95 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.61 7.81 63 D 7.86 4.96 0.00 2.69 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 64 H 7.87 4.37 0.00 3.35 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.57 4.21 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 1.20 0.00 0.00 *67 A 8.39 4.33 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 68 S 7.87 4.45 0.00 4.05 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 69 L 7.84 3.99 0.00 1.69 1.61 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.40 0.00 2.17 2.48 0.00 3.81 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 2.18 2.55 0.00 71 D 7.79 4.71 0.00 2.84 2.72 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 72 H 7.93 4.51 0.00 3.16 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.49 0.00 2.21 2.11 0.00 3.38 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 2.06 2.07 0.00 74 V 7.51 4.02 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 1.08 0.00 0.00 0.99 0.00 0.00 *76 K 8.18 4.38 0.00 2.09 1.99 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.63 7.81 77 K 8.63 4.15 0.00 2.25 2.28 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.64 7.81 78 W 8.31 3.88 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.19 4.59 0.00 3.64 3.31 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 80 A 8.34 4.28 1.45 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 0.00 0.00 81 H 8.12 4.17 0.00 3.26 3.32 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 A 8.02 4.33 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 84 D 8.12 4.40 0.00 2.77 2.79 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 85 I 7.08 4.30 1.90 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 1.19 1.12 0.89 0.00 0.00 *87 A 7.95 4.30 1.25 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 0.00 0.00 0.00 88 T 8.09 4.92 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 1.16 0.00 0.00 89 N 8.80 4.67 0.00 2.82 2.72 0.00 0.00 7.25 7.90 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 90 P 0.00 4.21 0.00 2.02 2.13 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 91 D 7.96 4.69 0.00 2.83 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 92 N 8.18 4.50 0.00 3.07 3.21 0.00 0.00 6.90 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 93 S 7.68 2.86 0.00 2.75 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 94 P 0.00 4.45 0.00 2.11 2.00 0.00 2.20 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 95 V 8.01 3.65 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 0.67 0.00 0.00 0.86 0.00 0.00 96 Q 8.66 5.54 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 97 S 8.55 4.86 0.00 3.90 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 98 D 8.83 4.99 0.00 2.65 2.73 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 99 L 8.71 4.80 0.00 1.56 1.65 1.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.12 4.28 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 0.86 0.00 0.00 0.97 0.00 0.00 101 T 8.54 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 1.24 0.00 0.00 102 L 8.38 4.62 0.00 1.68 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.70 4.88 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.86 4.23 0.00 2.95 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.08 0.00 2.05 1.95 0.00 3.63 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.