NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4010 8.3049 120.3487 54.7226 33.0573 175.1056 2 K 3.6752 8.7671 125.8362 55.2658 32.7855 175.5469 3 T 4.1512 9.1349 114.6653 60.6460 70.6407 172.9740 4 P 4.2531 0.0000 0.0000 66.0285 31.0102 178.6373 5 E 4.1813 8.1038 114.5245 58.6548 29.8894 177.6300 6 D 4.8161 7.7462 117.6655 53.3787 41.2411 175.9610 7 C 4.5194 7.2313 118.0174 59.4565 28.2088 173.9881 8 T 4.0698 9.0832 116.9012 64.1273 68.9573 174.2225 9 G 4.0761 7.4113 108.7602 43.5705 0.0000 172.5797 10 L 3.9120 8.6501 119.1190 58.0127 41.9537 179.2765 11 A 3.9875 7.9893 120.3317 55.3322 18.4211 179.1829 12 D 4.3044 8.0181 116.7127 57.5652 40.9493 178.9209 13 I 3.7117 7.4664 120.2365 64.5811 37.1567 178.8129 14 R 3.9422 8.3399 119.1930 59.2569 29.9774 178.9933 15 E 4.0498 8.1981 117.7362 58.9356 29.3976 179.2146 16 A 4.0247 7.8660 121.0296 55.1863 18.4209 179.7549 17 I 3.6977 7.9915 118.4653 64.5299 37.1368 178.4354 18 D 4.3594 8.2270 119.9065 57.3197 40.6372 178.8098 19 R 3.9275 7.9313 118.8526 59.3345 30.0678 178.7200 20 I 3.7331 7.9487 119.7181 64.5543 37.1764 178.1648 21 D 4.3704 8.4652 120.1674 57.2732 40.5152 178.6765 22 L 4.0095 8.0926 120.9287 58.0496 42.0391 178.6655 23 D 4.3676 8.1838 119.0201 57.3801 40.6593 178.8387 24 I 3.7036 7.9031 120.2684 64.3951 37.0427 178.6833 25 V 3.5803 7.8694 119.0214 66.1963 31.3866 178.1553 26 Q 3.9882 8.5358 117.8866 58.7071 28.4150 178.6085 27 A 4.0813 8.1709 122.1908 55.0721 18.4261 179.6730 28 L 4.1672 8.4379 118.1003 57.7495 41.4353 179.9490 29 G 3.6651 8.1528 105.1769 47.9793 0.0000 175.6501 30 R 4.3502 8.1523 122.2095 58.3143 30.1080 178.8791 31 R 4.1304 8.5812 119.0262 60.0948 30.0223 178.2439 32 M 4.3966 8.5290 117.6591 58.6364 32.1003 177.9839 33 D 4.2822 8.1203 119.4327 57.4566 40.7370 178.2849 34 Y 4.2223 7.8755 115.7269 60.9161 38.2889 178.1791 35 V 3.8983 8.1440 119.1501 66.2198 31.8502 178.2623 36 K 3.7952 8.0921 117.9243 59.3101 31.5834 179.0588 37 A 3.9814 7.7257 119.4148 54.1235 18.6406 178.6655 38 A 4.4082 8.0301 118.5046 53.4421 18.5713 179.5609 39 S 4.1232 7.5505 113.8180 61.5694 62.9450 176.0306 40 R 4.0455 7.5698 112.8136 57.2146 30.6430 176.4103 41 F 4.8868 7.4618 115.7217 58.0595 38.8353 176.9338 *52 E 4.3075 9.1212 133.5934 57.0126 31.4961 176.8136 53 R 3.8053 7.9837 118.0859 59.4519 30.2527 178.4206 54 V 3.5743 7.7838 117.2593 66.0501 31.3573 177.6797 55 A 4.0316 7.9818 118.4291 54.4574 18.2889 178.6459 56 A 4.1899 7.7577 119.3183 54.7578 19.2580 179.4406 57 M 3.8771 8.3748 117.5492 58.4167 32.0263 178.9819 58 L 3.8187 7.5889 118.3863 57.4833 41.8554 177.8822 59 P 4.1384 0.0000 0.0000 65.3486 31.1932 178.2794 60 E 3.4200 7.4253 116.8607 59.1652 29.3811 179.1909 61 R 3.2429 7.2250 117.6717 58.6125 29.9612 178.8662 62 A 3.9306 7.7473 120.8839 54.9138 18.3456 179.6256 63 R 3.7595 7.8440 117.2160 59.4907 30.3233 178.7569 64 W 4.4443 7.8796 118.4986 59.6894 28.8999 178.2789 65 A 4.1162 8.3649 120.8478 55.4552 18.0166 179.5918 66 E 3.9639 8.2136 116.9804 59.6503 29.3103 179.5075 67 E 4.1632 8.3218 117.5386 58.4495 29.4553 178.0529 68 N 4.9586 7.6993 114.4859 52.2880 39.1339 174.8690 69 G 3.9387 7.9249 107.1572 46.7435 0.0000 174.0741 70 L 4.8010 7.9519 118.2487 51.7248 44.9563 176.7568 71 D 4.3842 8.7098 120.1005 54.4142 41.8518 176.7793 72 A 4.0402 8.7626 129.5542 55.0131 18.4678 177.1855 73 P 4.2090 0.0000 0.0000 65.6637 31.5097 178.5378 74 F 4.2468 8.7058 119.4012 61.5107 39.4433 177.4106 75 V 3.3891 7.8459 117.6291 65.8020 31.2597 177.6205 76 E 4.1627 8.6989 119.7743 59.0824 29.5276 179.0252 77 G 3.5791 8.1946 106.0502 47.5391 0.0000 175.7845 78 L 3.9408 7.4577 121.1470 57.7332 41.6193 179.6025 79 F 3.9797 8.1889 116.9748 59.8871 38.9054 177.7356 80 A 4.1542 8.1893 121.0945 55.2214 18.1120 179.7144 81 Q 4.0732 8.0096 116.1603 59.0458 28.7913 179.0068 82 I 3.8376 7.7574 120.7968 64.5255 37.1826 178.4932 83 I 3.7730 8.3059 120.9344 64.9448 36.9184 178.3340 84 H 4.3050 8.3642 116.4621 58.2743 28.4745 177.7282 85 W 4.0031 8.3772 130.1609 60.8116 30.6377 177.7571 86 Y 4.1954 8.8680 116.6886 60.8709 37.3847 178.4389 87 I 3.8257 7.9953 120.9793 64.3710 37.0322 178.3137 88 A 3.9749 7.9810 120.5661 54.8587 18.2089 179.0290 89 E 3.9007 8.0645 118.1980 59.3528 29.7131 178.7231 90 Q 4.2108 8.3021 119.6971 59.3026 28.8047 178.1390 91 I 3.9068 7.7808 120.7794 64.0573 36.9235 177.5610 92 K 4.2909 7.6232 116.8042 57.9350 32.7478 177.4240 93 Y 4.6384 7.8179 117.5685 57.5355 38.4210 175.2350 94 W 4.5555 7.9071 135.0000 57.9910 30.7833 175.5957 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 M 8.30 4.40 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.77 3.68 0.00 1.86 1.77 0.00 1.97 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.49 7.81 3 T 9.13 4.15 4.42 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 1.21 0.00 0.00 4 P 0.00 4.25 0.00 2.18 2.17 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 5 E 8.10 4.18 0.00 2.12 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 0.00 2.27 2.34 0.00 6 D 7.75 4.82 0.00 2.68 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 7 C 7.23 4.52 0.00 3.13 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 8 T 9.08 4.07 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 9 G 7.41 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 0.00 0.00 0.00 0.00 10 L 8.65 3.91 0.00 1.77 1.68 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.99 3.99 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 12 D 8.02 4.30 0.00 2.85 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 13 I 7.47 3.71 2.01 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 1.52 0.72 0.91 0.00 0.00 14 R 8.34 3.94 0.00 1.83 1.98 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 15 E 8.20 4.05 0.00 1.99 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 2.48 2.47 0.00 16 A 7.87 4.02 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 17 I 7.99 3.70 2.00 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 1.53 0.79 0.92 0.00 0.00 18 D 8.23 4.36 0.00 2.87 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 19 R 7.93 3.93 0.00 1.96 2.10 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 I 7.95 3.73 2.01 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 1.53 0.67 0.93 0.00 0.00 21 D 8.47 4.37 0.00 2.72 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 22 L 8.09 4.01 0.00 1.84 1.86 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.18 4.37 0.00 2.96 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 24 I 7.90 3.70 2.06 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 1.42 0.90 0.89 0.00 0.00 25 V 7.87 3.58 2.20 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 1.12 0.00 0.00 0.95 0.00 0.00 26 Q 8.54 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 27 A 8.17 4.08 1.43 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 0.00 0.00 0.00 28 L 8.44 4.17 0.00 1.91 1.86 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.15 3.67 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 0.00 0.00 0.00 30 R 8.15 4.35 0.00 2.16 2.17 0.00 3.27 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 31 R 8.58 4.13 0.00 2.09 2.36 0.00 2.93 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 M 8.53 4.40 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 33 D 8.12 4.28 0.00 2.73 2.48 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 0.00 0.00 0.00 34 Y 7.88 4.22 0.00 3.21 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 35 V 8.14 3.90 2.34 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 1.25 0.00 0.00 1.32 0.00 0.00 36 K 8.09 3.80 0.00 1.63 1.32 0.00 1.53 0.00 0.00 1.09 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.90 1.46 7.81 37 A 7.73 3.98 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 38 A 8.03 4.41 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 39 S 7.55 4.12 0.00 3.96 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 0.00 40 R 7.57 4.05 0.00 1.57 1.78 0.00 2.82 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.94 0.00 41 F 7.46 4.89 0.00 3.27 2.18 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 *52 E 9.12 4.31 0.00 2.02 1.98 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 2.26 2.29 0.00 53 R 7.98 3.81 0.00 1.97 1.91 0.00 3.27 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 54 V 7.78 3.57 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 0.99 0.00 0.00 0.91 0.00 0.00 55 A 7.98 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.19 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 57 M 8.37 3.88 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 58 L 7.59 3.82 0.00 1.64 1.82 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.14 0.00 2.03 2.01 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 60 E 7.43 3.42 0.00 1.80 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 1.47 1.47 0.00 61 R 7.22 3.24 0.00 1.61 1.40 0.00 3.00 0.00 0.00 2.54 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.69 0.00 62 A 7.75 3.93 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 63 R 7.84 3.76 0.00 1.84 1.88 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 64 W 7.88 4.44 0.00 3.55 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 65 A 8.36 4.12 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 0.00 0.00 0.00 0.00 0.00 66 E 8.21 3.96 0.00 2.22 2.04 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 2.36 2.59 0.00 67 E 8.32 4.16 0.00 2.20 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 2.41 2.66 0.00 68 N 7.70 4.96 0.00 2.86 2.85 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.92 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 0.00 0.00 0.00 70 L 7.95 4.80 0.00 1.83 1.69 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.71 4.38 0.00 2.84 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 72 A 8.76 4.04 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 73 P 0.00 4.21 0.00 2.37 2.16 0.00 4.03 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 74 F 8.71 4.25 0.00 3.20 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.39 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 1.18 0.00 0.00 1.08 0.00 0.00 76 E 8.70 4.16 0.00 2.11 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 2.32 2.31 0.00 77 G 8.19 3.58 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 0.00 0.00 0.00 78 L 7.46 3.94 0.00 1.61 1.29 0.54 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.19 3.98 0.00 3.17 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 80 A 8.19 4.15 1.43 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 0.00 0.00 0.00 81 Q 8.01 4.07 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 82 I 7.76 3.84 1.82 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.60 0.00 0.00 83 I 8.31 3.77 1.98 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 1.57 0.80 0.89 0.00 0.00 84 H 8.36 4.30 0.00 3.46 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.38 4.00 0.00 3.74 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 86 Y 8.87 4.20 0.00 3.20 3.17 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 87 I 8.00 3.83 2.06 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 1.51 1.37 0.94 0.00 0.00 88 A 7.98 3.97 1.13 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 0.00 0.00 0.00 89 E 8.06 3.90 0.00 2.01 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 2.35 2.55 0.00 90 Q 8.30 4.21 0.00 2.48 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 91 I 7.78 3.91 1.98 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 1.58 0.91 0.85 0.00 0.00 92 K 7.62 4.29 0.00 1.68 1.78 0.00 1.46 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 0.91 7.81 93 Y 7.82 4.64 0.00 3.16 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 94 W 7.91 4.56 0.00 3.40 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 * Residues marked with a * may have inaccurate shift predictions.