NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6543 8.3649 120.3269 52.3401 40.9597 175.5643 2 P 4.1422 0.0000 0.0000 65.1636 31.2449 175.0926 3 E 3.6827 8.3749 117.8014 59.4966 29.7637 178.5181 4 K 3.9289 8.9955 119.5013 59.5581 32.1373 178.4310 5 L 3.9960 8.0365 120.5881 57.9779 42.0385 178.7431 6 K 3.9148 8.0174 119.1497 59.5503 32.0172 178.7036 7 I 3.8673 7.6995 120.0643 64.4256 37.0047 178.3594 8 L 4.0943 8.0894 119.8259 57.9545 41.2224 179.4738 9 E 3.9935 8.4239 117.9246 58.9980 29.4312 179.0049 10 W 4.3665 8.0938 127.5637 60.5357 31.0823 177.7691 11 I 3.3746 8.2571 120.1548 63.0212 36.4822 176.0716 12 E 3.8676 7.5817 119.4872 58.2308 29.6070 176.5363 13 G 4.0139 9.5280 115.2296 44.9573 0.0000 173.9223 14 K 4.3361 7.8915 116.9522 55.1428 33.2165 175.4903 15 E 3.8171 8.0175 116.8517 58.1341 29.2627 177.1172 16 R 3.7258 7.8614 121.0957 57.0028 28.4658 176.6704 17 N 4.6811 8.0303 118.7142 51.5013 38.8806 174.5078 18 I 3.6179 8.0010 127.3600 64.1431 38.1944 177.4417 19 R 3.8950 7.9099 117.9837 59.1181 29.7271 178.7496 20 A 4.0488 8.2007 119.8971 54.9810 18.4965 179.4569 21 L 4.0986 7.9382 117.6181 57.9172 41.5422 179.6934 22 L 4.1780 8.0728 118.2164 57.8555 41.6616 178.5118 23 S 5.1939 8.4680 110.3186 59.3245 63.2767 174.7686 24 T 4.4824 7.8206 112.4186 59.9179 68.2976 173.6566 *26 H 4.4379 8.2623 124.0084 56.1619 30.6205 174.9360 27 T 4.0264 7.4480 113.2635 62.9026 67.2038 174.7856 28 V 4.0876 6.6988 110.4784 60.9900 33.6330 175.7955 29 L 3.5501 7.1479 119.7104 53.7113 42.0647 176.8022 30 W 4.3621 7.0826 117.4494 55.6558 29.1245 175.5308 31 A 4.0652 8.4623 123.1734 53.4281 18.3473 177.4739 32 G 4.1897 9.0547 110.5652 45.6975 0.0000 174.0543 33 E 4.0758 7.6786 121.4470 56.5562 29.7961 176.2116 34 T 4.5052 8.3781 115.2802 62.4757 71.1486 175.5196 35 K 4.0568 8.3735 120.6291 58.9191 32.2682 177.3643 36 W 4.3165 8.5889 127.5608 56.8965 31.2106 175.2727 37 K 4.3637 6.5317 122.9369 53.3744 34.7642 174.3122 38 P 4.2327 0.0000 0.0000 63.1191 32.1039 175.7069 39 V 4.5164 8.4270 120.2812 61.1006 36.1085 173.9962 40 G 3.7536 8.3328 111.0128 45.8169 0.0000 176.5668 *42 A 4.2986 8.9256 128.7197 51.5050 20.2118 177.7710 43 D 4.9218 8.1776 114.1165 53.9738 41.1832 176.5255 44 L 4.7715 7.4877 118.5329 54.4803 42.4118 178.4080 45 V 3.5066 7.4864 119.4492 65.5676 32.4424 175.6609 46 T 4.3958 8.8581 110.9893 60.8307 71.0363 173.8209 47 P 4.5458 0.0000 0.0000 65.9804 31.3933 178.8364 48 E 4.0794 8.2723 116.9667 59.4891 29.3538 179.1994 49 Q 4.0052 7.9830 117.8202 58.9185 28.7638 178.9450 50 V 3.5949 7.7366 118.9791 65.9891 31.5626 177.7460 51 K 3.7335 8.4996 119.3775 59.4874 32.1375 178.4056 52 K 3.8891 8.2448 119.7427 59.6972 32.1305 178.9428 53 V 3.6986 8.1476 118.6420 65.9774 31.0560 177.3661 54 Y 4.2378 8.8399 119.8763 60.7173 38.5001 177.9613 55 R 3.5084 8.2625 120.0487 59.2814 30.0272 178.4557 56 K 4.0349 8.0818 118.6783 59.1662 32.1723 178.8218 57 A 3.9765 8.2416 121.4565 55.1344 17.8427 179.7588 58 V 3.6951 7.9967 117.1690 66.1419 31.2753 178.1938 59 L 4.1634 7.5874 117.9797 57.2549 41.5158 179.1896 60 V 3.9162 7.4157 118.0740 65.3245 31.5456 177.5591 61 V 4.6451 7.4794 109.2215 60.4378 32.2948 175.9796 62 H 3.5406 7.5379 119.1414 55.7873 30.8198 173.7121 63 P 4.0554 0.0000 0.0000 66.0096 31.1053 178.4509 64 D 4.5747 8.1021 115.2418 56.9439 40.7564 178.1973 65 K 4.2423 7.8049 116.2353 57.1220 32.8345 177.6354 66 A 4.4776 8.2061 120.5523 51.1292 19.3128 176.4600 67 T 4.0866 7.3503 114.2402 66.0932 68.5609 173.9846 68 G 3.8396 9.9866 115.7079 45.2691 0.0000 172.4516 69 Q 4.3623 7.4463 117.5311 52.5749 31.5610 175.1611 70 P 4.0119 0.0000 0.0000 65.2685 31.6271 177.5509 71 Y 4.2757 6.5249 114.6880 56.4964 38.2979 176.4234 72 E 3.6123 7.2901 123.3019 60.0214 29.3390 178.8136 73 Q 3.8852 7.4197 117.2102 59.2557 29.2073 177.2753 74 Y 4.5988 7.0656 116.2393 61.0924 38.2997 177.6326 75 A 4.5920 8.6336 122.1972 55.1544 18.2355 180.5538 76 K 4.2478 7.6019 112.7459 57.2326 32.2329 178.2753 *78 I 4.4812 7.7247 122.2846 61.7063 39.0642 177.9276 79 F 4.3596 8.6807 118.7704 59.6639 39.3041 175.8639 *81 E 4.2593 8.1903 121.5355 56.1068 31.3896 177.8443 82 L 4.1138 8.2493 118.6774 57.9360 41.5691 179.2381 83 N 4.5795 8.1879 117.8624 55.9729 38.4721 177.2785 84 D 4.3369 8.0820 119.6227 57.2460 40.8712 178.5482 85 A 3.9853 8.1213 121.4482 54.5880 18.3336 179.5537 86 W 3.7856 8.2022 126.9417 60.5926 30.7697 177.8530 87 S 4.2453 8.2857 114.8038 60.8402 61.6294 175.9114 88 E 3.8458 8.1927 121.5931 59.2011 29.3396 178.4606 89 F 4.4051 8.0433 122.2252 60.6594 39.0898 177.0745 90 E 3.4309 7.6553 118.2154 59.1345 29.1141 178.5899 91 N 4.5262 7.7147 113.5707 54.6976 38.6362 176.0287 92 Q 4.4355 7.3607 118.8168 55.0157 29.3591 176.7500 93 G 3.6939 7.7284 108.9932 44.4559 0.0000 173.6048 94 Q 2.0000 6.8455 116.4775 55.7748 26.6310 174.7099 95 K 4.0065 7.3306 115.3764 55.6709 33.0306 176.0512 96 P 4.6323 0.0000 0.0000 62.1155 32.1350 176.5241 97 L 4.1249 8.1954 122.0916 58.1393 42.1264 176.4681 98 Y 4.4519 7.0552 119.6689 57.4896 37.4235 174.0094 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 D 8.36 4.65 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.25 2.15 0.00 3.66 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 2.13 2.21 0.00 3 E 8.37 3.68 0.00 1.85 1.48 0.00 0.00 0.00 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 1.67 0.00 4 K 9.00 3.93 0.00 2.28 2.08 0.00 1.98 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.61 7.81 5 L 8.04 4.00 0.00 1.82 1.87 0.95 0.45 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 6 K 8.02 3.91 0.00 1.80 1.83 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.50 7.81 7 I 7.70 3.87 2.12 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.83 1.15 0.00 0.00 8 L 8.09 4.09 0.00 1.89 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.42 3.99 0.00 2.15 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 2.65 2.49 0.00 10 W 8.09 4.37 0.00 3.30 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 11 I 8.26 3.37 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 0.82 0.00 0.00 12 E 7.58 3.87 0.00 1.98 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 0.00 2.33 2.32 0.00 13 G 9.53 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 14 K 7.89 4.34 0.00 1.35 1.53 0.00 0.98 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.14 7.81 15 E 8.02 3.82 0.00 2.00 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 2.23 2.27 0.00 16 R 7.86 3.73 0.00 1.97 2.03 0.00 3.10 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 1.52 1.51 0.00 17 N 8.03 4.68 0.00 2.63 2.73 0.00 0.00 6.84 7.52 0.00 0.00 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 I 8.00 3.62 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.51 0.00 0.00 19 R 7.91 3.90 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 20 A 8.20 4.05 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 21 L 7.94 4.10 0.00 1.88 1.82 0.80 -0.41 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 22 L 8.07 4.18 0.00 1.77 2.00 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.47 5.19 0.00 4.10 4.07 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 24 T 7.82 4.48 4.43 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 1.38 0.00 0.00 *26 H 8.26 4.44 0.00 3.38 3.80 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.45 4.03 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 1.01 0.00 0.00 28 V 6.70 4.09 1.51 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 0.20 0.00 0.00 -0.63 0.00 0.00 29 L 7.15 3.55 0.00 1.16 0.68 0.36 -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 0.00 0.00 0.00 0.00 30 W 7.08 4.36 0.00 3.60 3.45 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 31 A 8.46 4.07 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 32 G 9.05 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 0.00 0.00 0.00 33 E 7.68 4.08 0.00 1.18 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 2.04 1.54 0.00 34 T 8.38 4.51 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 1.31 0.00 0.00 35 K 8.37 4.06 0.00 2.01 1.98 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 36 W 8.59 4.32 0.00 3.26 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 37 K 6.53 4.36 0.00 1.30 1.41 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.14 1.17 7.81 38 P 0.00 4.23 0.00 1.89 1.71 0.00 3.47 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 1.93 1.99 0.00 39 V 8.43 4.52 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 1.03 0.00 0.00 0.65 0.00 0.00 40 G 8.33 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 *42 A 8.93 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.92 0.00 2.75 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 44 L 7.49 4.77 0.00 1.58 1.59 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.49 3.51 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 0.40 0.00 0.00 0.83 0.00 0.00 46 T 8.86 4.40 4.45 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 1.19 0.00 0.00 47 P 0.00 4.55 0.00 2.30 2.34 0.00 3.66 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 2.15 2.37 0.00 48 E 8.27 4.08 0.00 2.10 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 2.45 2.53 0.00 49 Q 7.98 4.01 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 50 V 7.74 3.59 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 0.81 0.00 0.00 0.85 0.00 0.00 51 K 8.50 3.73 0.00 2.24 2.09 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.22 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.41 1.20 7.81 52 K 8.24 3.89 0.00 1.95 2.01 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 53 V 8.15 3.70 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 1.17 0.00 0.00 0.99 0.00 0.00 54 Y 8.84 4.24 0.00 3.02 3.03 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 55 R 8.26 3.51 0.00 1.75 2.06 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 56 K 8.08 4.03 0.00 1.93 2.06 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.67 1.52 7.81 57 A 8.24 3.98 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 58 V 8.00 3.70 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 1.16 0.00 0.00 0.58 0.00 0.00 59 L 7.59 4.16 0.00 1.65 1.75 0.92 1.07 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 60 V 7.42 3.92 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 0.76 0.00 0.00 1.16 0.00 0.00 61 V 7.48 4.65 2.47 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 0.74 0.00 0.00 1.20 0.00 0.00 62 H 7.54 3.54 0.00 3.42 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.06 0.00 1.87 1.89 0.00 2.24 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.65 0.00 64 D 8.10 4.57 0.00 2.62 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 65 K 7.80 4.24 0.00 1.92 1.89 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 66 A 8.21 4.48 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 67 T 7.35 4.09 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 1.13 0.00 0.00 68 G 9.99 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 69 Q 7.45 4.36 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.73 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 70 P 0.00 4.01 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 71 Y 6.52 4.28 0.00 2.92 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 72 E 7.29 3.61 0.00 1.96 1.77 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 2.16 2.18 0.00 73 Q 7.42 3.89 0.00 1.85 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 74 Y 7.07 4.60 0.00 3.35 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 75 A 8.63 4.59 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 76 K 7.60 4.25 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.62 7.81 *78 I 7.72 4.48 2.18 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.97 0.00 0.00 79 F 8.68 4.36 0.00 3.18 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 *81 E 8.19 4.26 0.00 2.22 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 2.19 2.29 0.00 82 L 8.25 4.11 0.00 2.01 2.01 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.19 4.58 0.00 2.58 2.82 0.00 0.00 6.58 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 84 D 8.08 4.34 0.00 2.88 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 85 A 8.12 3.99 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 86 W 8.20 3.79 0.00 2.37 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 87 S 8.29 4.25 0.00 3.95 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 88 E 8.19 3.85 0.00 2.18 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 0.00 2.37 2.33 0.00 89 F 8.04 4.41 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.66 3.43 0.00 1.96 1.74 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 1.79 1.65 0.00 91 N 7.71 4.53 0.00 2.73 2.79 0.00 0.00 6.97 7.82 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 92 Q 7.36 4.44 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.55 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 93 G 7.73 3.69 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 0.00 0.00 0.00 94 Q 6.85 2.00 0.00 1.80 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 95 K 7.33 4.01 0.00 1.71 1.72 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.34 7.81 96 P 0.00 4.63 0.00 2.01 1.95 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 97 L 8.20 4.12 0.00 1.59 1.26 0.94 0.96 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 98 Y 7.06 4.45 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.