NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6563 8.4093 119.2012 53.5728 40.1811 172.7739 2 I 4.2785 7.9469 113.3630 58.1289 39.3820 173.4300 3 S 4.6435 8.5811 117.2011 56.8471 66.3838 176.5308 4 Q 4.0103 7.8891 126.1195 59.1847 28.9902 178.8374 5 H 4.9671 7.6389 112.4938 54.5534 29.0136 174.1121 6 Q 4.3156 8.7237 123.0292 55.7665 29.1618 175.3949 7 C 4.6438 8.6274 123.0317 57.0958 41.0738 172.1979 8 V 4.1890 8.5336 120.0570 64.5111 32.9421 176.8622 9 K 4.2459 8.1941 115.6168 57.2865 33.1270 176.3378 10 K 4.5743 8.3777 121.2846 54.7541 34.6415 175.6931 11 Q 4.4682 8.2431 126.6148 53.8343 28.4696 175.5650 12 C 4.4784 8.1524 119.8242 55.4362 41.1386 171.6042 13 P 4.4386 0.0000 0.0000 62.1542 30.2922 176.0631 14 Q 3.9844 8.2307 120.1689 57.3633 29.6489 175.4785 15 N 3.9638 8.9537 120.3764 53.8289 35.3912 173.5999 16 S 4.9244 7.6365 110.3284 56.7406 66.6482 172.8731 17 G 3.0695 9.0848 107.5676 44.0320 0.0000 171.0266 18 C 5.6423 8.4942 120.8436 54.4835 43.7802 172.6239 19 F 4.6819 9.1581 128.7099 56.1877 41.8557 173.8053 20 R 4.6137 7.3738 125.9834 54.9538 31.5757 176.0152 21 H 5.1684 8.0874 124.9223 55.1695 30.4163 175.1378 22 L 4.2736 8.4272 118.7489 57.0456 41.8775 178.4626 23 D 4.5000 8.1139 115.6382 53.5209 38.9791 176.8155 24 E 3.8172 8.1027 116.7864 57.1025 27.4714 175.4884 25 R 4.2109 8.1031 119.0542 57.0377 31.0944 174.3271 26 E 4.9663 8.1667 115.9013 56.2058 32.4653 175.1059 27 E 4.8285 9.3779 128.5524 54.6577 32.9739 173.8282 28 C 5.4414 8.8573 123.0565 55.9915 40.7970 173.1534 29 K 4.8168 8.8466 119.8953 55.0765 36.6053 175.1428 30 C 4.8035 8.6719 121.0026 56.7966 35.5218 173.6415 31 L 4.2951 8.4056 122.2815 54.1255 42.7400 176.7755 32 L 4.1482 8.4069 120.3429 56.6039 42.0471 177.4791 33 N 4.3297 9.0191 117.4219 53.8015 36.0952 172.9768 34 Y 5.7608 8.0977 114.8316 55.1589 41.2345 175.1459 35 K 4.7428 8.3966 120.8268 54.7583 36.5374 174.8328 36 Q 4.4480 8.6677 123.4501 56.2730 29.7375 175.4269 37 E 4.4918 9.3463 128.1758 54.5597 31.1028 176.1316 38 G 4.1047 8.1612 117.9585 46.5667 0.0000 171.6911 39 D 4.8692 8.7727 123.8306 53.5011 40.9593 175.4061 40 K 4.7717 7.6424 116.8099 55.6010 36.4990 174.2136 41 C 5.4925 8.0900 116.5878 55.7355 41.2800 173.5701 42 V 4.6469 8.5387 120.1475 60.4329 35.1662 173.6461 43 E 4.0732 8.7611 119.6630 56.4963 30.4818 177.1397 44 N 4.8057 9.5201 123.1211 50.5957 39.4552 172.6981 45 P 4.2888 0.0000 0.0000 64.3369 32.3929 176.6300 46 N 5.0504 7.2265 113.4604 50.8430 38.4857 172.3905 47 P 4.2821 0.0000 0.0000 65.1297 32.4211 176.6789 48 T 3.3735 8.1305 113.8714 64.0716 67.0008 173.6439 49 C 4.5039 8.8185 123.9872 60.0330 40.6400 176.1406 50 N 4.1485 8.2588 116.1251 55.8024 38.4452 174.7353 51 E 4.1800 7.8714 119.1292 55.7851 30.2046 175.3358 52 N 4.2587 9.4050 123.3194 54.1938 37.6321 173.3178 53 N 4.1566 8.1884 111.1319 53.4798 37.1654 175.6961 54 G 3.8752 8.6050 102.6594 45.2093 0.0000 175.4107 55 G 3.9806 7.9711 107.4866 45.1240 0.0000 173.7363 56 C 4.5698 7.7200 117.0508 56.0644 35.2425 173.0927 57 D 4.5118 8.6283 122.0172 54.4318 41.2563 177.7853 58 A 4.0680 8.5037 125.7902 54.6130 18.9137 178.2566 59 D 4.8056 9.0711 115.2465 53.8619 41.1707 175.2130 60 A 5.1623 7.5444 120.7584 49.8650 21.8939 176.7596 61 K 4.1954 9.3442 123.4957 56.0258 33.7648 174.6577 62 C 5.4454 8.7851 127.6215 55.1625 45.4323 172.5872 63 T 5.0041 8.8346 115.9844 59.8282 72.1887 172.5179 64 E 5.1388 8.4482 118.4643 53.8852 33.0663 174.2778 65 E 4.0552 8.4602 120.4512 56.6633 32.3694 179.4545 66 D 3.6835 8.6637 117.7701 53.7424 45.1420 175.6691 67 S 4.7113 7.5453 117.1671 56.0908 70.0800 176.5390 68 G 4.1716 8.8691 106.5670 44.3746 0.0000 177.1729 69 S 4.3757 8.8129 118.2993 57.9254 60.9722 174.1600 70 N 4.5979 7.9566 116.0704 52.1818 37.2435 175.5795 71 G 4.2837 8.1734 112.9811 46.4859 0.0000 170.8041 72 K 3.8845 8.4416 124.8205 56.2819 30.0280 175.5945 73 K 4.7550 8.1181 123.7564 54.4568 36.2080 174.5523 74 I 4.7330 8.1960 124.1420 59.8867 41.0174 174.0197 75 T 4.7512 9.0771 125.9676 61.9751 71.5660 172.5478 76 C 5.5132 8.6984 121.9731 55.5050 42.2146 173.3456 77 E 4.5442 8.5076 121.2591 55.3494 32.9242 173.4910 78 C 4.7964 8.9286 125.5498 57.2052 39.7414 173.9459 79 T 3.7618 8.4430 115.5877 63.6983 68.8917 175.9023 80 K 4.0140 7.9462 121.2648 55.8266 32.0754 174.6847 81 P 3.9831 0.0000 0.0000 65.3348 31.9016 176.4943 82 D 4.7118 7.5621 121.3037 50.8829 39.1681 173.8824 83 S 4.6409 7.4157 119.1158 57.7674 65.8103 172.1326 84 Y 4.8482 9.1946 124.3348 55.4020 41.2173 173.3295 85 P 4.6341 0.0000 0.0000 62.6833 32.4691 175.9162 86 L 4.6147 8.7880 123.2043 53.5431 45.3376 176.5669 87 F 3.8372 8.9234 120.8403 59.5018 36.2088 175.4771 88 D 4.1948 9.2174 113.4260 55.3662 39.0958 175.0356 89 G 4.1578 8.0663 106.0038 45.4299 0.0000 176.4165 90 I 3.5891 7.8817 121.3902 63.6629 37.3614 175.9202 91 F 5.6158 7.7357 116.1691 54.7722 43.2260 174.6788 92 C 5.9436 8.9830 116.2553 54.2348 43.8820 174.1999 93 S 4.7182 8.0710 116.4081 58.3663 64.6265 172.1923 94 H 4.6648 8.6047 115.3625 56.1420 32.4497 173.0884 95 H 4.7463 8.8926 121.9984 55.4997 31.1438 174.7957 *96 H 4.5430 8.7039 122.1259 54.8493 28.5027 169.8620 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 N 8.41 4.66 0.00 2.68 2.79 0.00 0.00 6.91 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 2 I 7.95 4.28 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.88 0.00 0.00 3 S 8.58 4.64 0.00 3.76 3.62 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 4 Q 7.89 4.01 0.00 1.75 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 5 H 7.64 4.97 0.00 2.76 1.99 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.72 4.32 0.00 1.81 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 7 C 8.63 4.64 0.00 3.03 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 8 V 8.53 4.19 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 0.85 0.00 0.00 0.90 0.00 0.00 9 K 8.19 4.25 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.72 7.81 10 K 8.38 4.57 0.00 1.86 1.68 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.33 7.81 11 Q 8.24 4.47 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 12 C 8.15 4.48 0.00 2.96 2.98 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 0.00 0.00 0.00 13 P 0.00 4.44 0.00 1.98 1.98 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 14 Q 8.23 3.98 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.04 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 15 N 8.95 3.96 0.00 2.63 1.69 0.00 0.00 6.60 7.57 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 16 S 7.64 4.92 0.00 3.76 3.65 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 0.00 0.00 0.00 0.00 17 G 9.08 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 0.00 0.00 0.00 18 C 8.49 5.64 0.00 2.98 3.04 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 19 F 9.16 4.68 0.00 1.51 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 20 R 7.37 4.61 0.00 1.79 1.47 0.00 3.27 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 0.00 21 H 8.09 5.17 0.00 3.61 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.43 4.27 0.00 1.75 1.71 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.11 4.50 0.00 2.77 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 24 E 8.10 3.82 0.00 2.20 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 0.00 2.22 2.40 0.00 25 R 8.10 4.21 0.00 2.06 1.96 0.00 3.16 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 26 E 8.17 4.97 0.00 1.93 1.79 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 2.14 2.22 0.00 27 E 9.38 4.83 0.00 2.12 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 0.00 2.36 2.36 0.00 28 C 8.86 5.44 0.00 2.93 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 29 K 8.85 4.82 0.00 1.59 1.36 0.00 1.70 0.00 0.00 1.19 0.00 0.00 2.59 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.59 7.81 30 C 8.67 4.80 0.00 2.85 3.13 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 31 L 8.41 4.30 0.00 1.51 1.65 0.70 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.41 4.15 0.00 1.66 1.63 1.01 1.14 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 33 N 9.02 4.33 0.00 2.90 2.77 0.00 0.00 6.83 7.48 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 34 Y 8.10 5.76 0.00 2.97 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 35 K 8.40 4.74 0.00 1.79 1.87 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 36 Q 8.67 4.45 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 37 E 9.35 4.49 0.00 1.96 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 2.19 2.22 0.00 38 G 8.16 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 0.00 0.00 0.00 39 D 8.77 4.87 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.77 0.00 1.81 1.84 0.00 1.28 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.55 7.81 41 C 8.09 5.49 0.00 2.95 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 42 V 8.54 4.65 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 0.99 0.00 0.00 0.98 0.00 0.00 43 E 8.76 4.07 0.00 1.80 1.75 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 1.91 2.21 0.00 44 N 9.52 4.81 0.00 2.60 2.59 0.00 0.00 7.07 7.59 0.00 0.00 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 P 0.00 4.29 0.00 2.04 2.08 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 46 N 7.23 5.05 0.00 2.74 2.72 0.00 0.00 6.97 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 47 P 0.00 4.28 0.00 2.01 2.12 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 48 T 8.13 3.37 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 49 C 8.82 4.50 0.00 3.09 3.12 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 50 N 8.26 4.15 0.00 2.70 2.88 0.00 0.00 6.80 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 51 E 7.87 4.18 0.00 2.05 1.81 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 2.25 2.23 0.00 52 N 9.41 4.26 0.00 2.95 2.80 0.00 0.00 6.81 6.71 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 53 N 8.19 4.16 0.00 2.98 2.93 0.00 0.00 7.60 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 54 G 8.61 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 55 G 7.97 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.72 4.57 0.00 3.03 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 57 D 8.63 4.51 0.00 2.76 2.53 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 58 A 8.50 4.07 1.27 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 0.00 0.00 59 D 9.07 4.81 0.00 2.78 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 60 A 7.54 5.16 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 61 K 9.34 4.20 0.00 1.84 1.67 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.42 7.81 62 C 8.79 5.45 0.00 3.05 2.94 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 63 T 8.83 5.00 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 64 E 8.45 5.14 0.00 1.95 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 2.16 2.16 0.00 65 E 8.46 4.06 0.00 1.91 1.85 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 2.29 2.26 0.00 66 D 8.66 3.68 0.00 2.70 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 67 S 7.55 4.71 0.00 4.18 3.77 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 68 G 8.87 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 0.00 0.00 0.00 69 S 8.81 4.38 0.00 3.85 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 70 N 7.96 4.60 0.00 2.87 3.05 0.00 0.00 7.07 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 71 G 8.17 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 0.00 0.00 0.00 0.00 72 K 8.44 3.88 0.00 1.90 2.12 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.36 7.81 73 K 8.12 4.76 0.00 1.82 1.75 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 74 I 8.20 4.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.96 0.00 0.00 75 T 9.08 4.75 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 1.22 0.00 0.00 76 C 8.70 5.51 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.51 4.54 0.00 2.04 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 2.20 2.29 0.00 78 C 8.93 4.80 0.00 2.94 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 79 T 8.44 3.76 4.22 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 1.29 0.00 0.00 80 K 7.95 4.01 0.00 1.70 1.76 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 81 P 0.00 3.98 0.00 2.04 2.04 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 82 D 7.56 4.71 0.00 2.74 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 83 S 7.42 4.64 0.00 3.81 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 0.00 84 Y 9.19 4.85 0.00 3.00 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 85 P 0.00 4.63 0.00 2.00 2.03 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 86 L 8.79 4.61 0.00 2.05 1.74 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.92 3.84 0.00 3.29 2.97 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 88 D 9.22 4.19 0.00 2.88 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 89 G 8.07 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 90 I 7.88 3.59 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.66 -0.31 0.00 0.00 91 F 7.74 5.62 0.00 3.20 2.42 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 92 C 8.98 5.94 0.00 2.79 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 93 S 8.07 4.72 0.00 3.96 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 94 H 8.60 4.66 0.00 3.06 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.89 4.75 0.00 3.04 3.17 0.00 5.78 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 H 8.70 4.54 0.00 2.72 2.86 0.00 5.92 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 * Residues marked with a * may have inaccurate shift predictions.