NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3974 8.1749 117.3800 62.9326 70.0908 173.3992 3 K 4.1880 8.5454 124.9908 56.0461 33.5493 174.2641 4 K 5.0314 9.7980 123.9411 54.5692 35.6843 174.8143 5 V 4.6527 8.6339 124.8986 60.9328 34.3441 173.8896 6 L 4.8888 8.8103 130.7129 54.1389 43.5299 174.9668 7 I 4.7786 9.0475 128.4864 59.9780 39.2704 175.0477 8 V 4.4129 9.1193 128.1764 61.4428 32.8227 173.8753 9 E 4.8394 9.0203 129.2934 55.1518 32.5359 175.4190 10 D 4.3264 9.0126 127.0613 56.5612 41.9907 176.2323 11 N 4.5293 8.4963 118.8097 52.6304 39.8758 174.8192 12 E 3.8744 8.8335 128.6352 59.5674 29.7961 178.7601 13 L 3.9144 7.8393 118.2724 57.8857 41.6594 179.1576 14 N 3.7652 8.2805 116.4074 56.1077 38.3043 177.1527 15 M 4.0355 8.0328 119.7436 58.6320 32.3051 178.5053 16 K 3.9726 8.0590 118.6195 59.1827 32.2157 179.1321 17 L 3.8446 7.6861 120.5683 58.2352 42.0181 179.0458 18 F 4.4599 7.9156 117.9911 60.8295 38.7795 177.2109 19 H 4.2221 8.7041 118.0854 59.4738 29.7689 177.0300 20 D 4.3411 8.5771 121.1033 57.4317 40.4269 178.8852 21 L 4.0803 7.8989 118.3316 57.8312 41.9834 179.3095 22 L 4.3242 8.1724 119.0435 57.7508 41.5655 179.1100 23 E 4.1960 8.8820 120.9109 58.6343 29.3582 178.6356 24 A 4.0425 7.9052 119.6325 54.3458 18.4835 178.5214 25 Q 4.1027 7.5380 114.6404 55.6758 29.1343 176.6584 26 G 3.8291 8.0090 109.1303 45.1756 0.0000 173.1252 27 Y 4.9584 7.1487 116.9128 57.2430 39.9769 174.6141 28 E 4.7306 9.1146 121.8579 55.7218 31.8037 175.3468 29 T 5.2947 8.3976 110.6989 60.0966 72.5580 172.8517 30 L 4.9796 9.0197 122.0344 53.1733 45.3508 175.7144 31 Q 5.1198 8.4869 120.1415 54.7987 32.7399 174.3765 32 T 4.5896 8.6352 115.2284 61.6286 71.0885 174.0977 33 R 4.6431 8.6880 123.7160 55.5994 31.3258 176.7093 34 E 5.0752 7.8489 118.5944 53.7698 32.8892 176.8628 35 G 3.7112 9.2597 110.8840 48.0885 0.0000 176.1591 36 L 3.9969 7.9185 121.1758 57.6368 41.7287 179.6791 37 S 4.1153 8.1029 114.3479 61.3415 62.6741 176.2979 38 A 4.0434 7.8747 123.4941 55.1555 18.2101 179.6742 39 L 3.8970 7.5807 116.3579 57.9847 41.8301 179.9226 40 S 4.0633 7.7337 114.9055 61.7735 62.7690 176.8640 41 I 3.7033 8.2957 122.5172 64.2608 36.8190 178.3088 42 A 3.9928 8.2407 121.8088 55.4116 18.0027 179.9839 43 R 3.9218 7.7155 114.9941 58.9474 30.1697 178.3580 44 E 4.2020 7.8617 118.0787 57.8050 29.8766 177.0897 45 N 4.9441 8.4759 115.7843 51.7666 41.4103 175.2290 46 K 3.8495 8.0183 119.6139 54.8140 29.0331 177.7870 47 P 4.5689 0.0000 0.0000 62.7362 32.4621 177.1183 48 D 4.6241 8.8167 118.7996 55.9713 41.5661 176.6184 49 L 4.5652 7.4760 118.4848 53.9078 45.8710 173.5117 50 I 4.7824 8.6254 125.6477 59.4531 40.1783 174.1851 51 L 4.9287 9.0925 130.4321 53.6907 43.6313 174.7032 52 M 5.2090 8.9494 126.8879 53.4874 35.4208 173.8360 53 D 4.8495 8.9956 127.0082 54.5728 41.5294 176.1951 54 I 3.9025 9.0173 127.7275 63.5106 38.2451 177.1242 55 Q 4.4179 7.6408 121.4246 55.1290 26.9404 176.1975 56 L 4.3099 7.4584 118.9422 53.7513 42.9828 177.3343 57 P 4.5658 0.0000 0.0000 65.1853 31.4331 177.1111 58 E 4.4065 7.9808 114.7395 56.7966 30.6709 175.2883 59 I 4.3614 6.8315 117.6700 59.7779 41.6097 173.4112 60 S 4.4929 8.4994 119.7592 57.6573 63.1289 175.5294 61 G 3.7425 9.0459 114.8698 47.6938 0.0000 175.9655 62 L 4.0941 7.8432 120.8627 57.6436 41.4956 179.2218 63 E 3.8762 8.0040 118.4931 59.0230 29.3674 179.4109 64 V 3.9769 7.6579 118.0817 66.3913 31.7389 178.0982 65 T 4.0428 8.2644 118.0219 66.9408 67.9687 177.4913 66 K 4.0065 7.5397 124.7868 59.5587 32.1405 182.0072 67 W 4.7593 7.9926 120.1818 59.5434 29.0573 178.5036 68 L 4.0578 8.1807 118.9279 58.0032 40.9767 179.7272 69 K 4.2100 8.0371 115.8220 58.3653 32.0981 178.3251 70 E 4.3941 7.9019 117.2687 55.8307 30.1223 175.3511 71 D 4.8286 7.5222 120.1677 52.1379 42.2780 176.7449 72 D 4.5432 8.8201 126.5852 56.2747 39.4820 177.2000 73 D 4.6179 8.3738 118.3801 55.3123 41.4449 176.9310 74 L 4.5294 7.7636 116.9654 54.6691 43.6988 178.1659 75 A 4.1246 8.3551 121.9157 55.1129 18.3170 178.2675 76 H 4.4296 8.0924 109.5425 57.3041 29.2447 175.4415 77 I 3.8890 7.2414 122.6187 60.2009 37.3026 174.3662 78 P 4.3365 0.0000 0.0000 62.9186 32.5922 175.2188 79 V 4.6922 8.3768 122.5251 61.0887 34.3546 173.8827 80 V 4.6481 8.8107 128.4051 61.1435 33.3815 174.3712 81 A 4.8868 8.8444 130.5772 51.2743 20.5428 175.8999 82 V 4.8246 8.7041 121.5217 61.4083 34.0876 174.4424 83 T 4.9985 8.6830 121.6532 60.1811 70.8104 174.1536 84 A 4.2613 8.7749 128.7825 53.8619 19.1503 178.3428 *94 I 4.1663 7.8893 119.6959 62.1540 39.1147 179.0719 95 R 4.2053 7.3453 113.3115 56.9497 28.8264 179.8893 *97 G 3.8305 8.0454 108.3930 45.4246 0.0000 174.2356 98 G 4.0820 7.9239 105.8634 45.3702 0.0000 173.6634 99 C 4.4581 8.2387 119.1532 59.3412 28.7560 174.6500 100 E 4.2362 8.8985 124.3292 59.2904 29.8302 176.3825 101 A 4.6606 7.7268 121.5369 51.8597 23.0722 175.0847 *102 Y 5.1532 8.2640 117.9508 55.9388 41.3755 173.4182 103 I 4.7029 8.8469 122.2110 59.5477 41.1832 175.2396 104 S 4.9739 9.0169 125.4819 58.7145 64.5335 173.7542 105 K 5.1933 8.1973 125.9666 52.3543 34.3495 174.7369 106 P 4.3211 0.0000 0.0000 62.0076 31.7247 176.3630 107 I 4.5524 8.1381 114.7040 60.0864 38.7227 175.4149 108 S 4.6682 8.4251 116.0459 56.6733 63.9019 174.7377 109 V 3.6589 8.4441 128.8116 66.4032 31.3734 178.1378 110 V 3.6389 7.8127 117.2913 66.2164 31.4608 177.2463 111 H 4.1885 8.0541 117.1786 59.1345 29.8312 176.7609 112 F 4.1006 8.6729 122.7897 61.6530 39.1771 177.2154 113 L 3.9249 8.5217 118.6702 57.5112 41.3615 179.2554 114 E 3.8951 8.6835 119.8385 59.4798 29.1502 178.9116 115 T 3.7445 7.7957 115.7154 66.7158 68.4293 176.7080 116 I 3.5305 7.2612 121.1426 64.3281 37.1306 178.7377 117 K 3.9404 8.2656 119.6533 59.3167 31.5851 179.3579 118 R 3.8914 7.8789 118.4189 59.4370 30.0662 178.2258 119 L 4.1549 7.3359 116.9412 57.1802 41.7845 179.0893 120 L 4.0634 7.9089 118.5605 56.7675 43.1264 178.1140 121 E 4.4085 8.1870 119.5676 54.8393 27.9754 175.5107 122 R 4.7142 7.2823 118.5317 53.6175 33.5027 176.5664 123 Q 4.1558 8.3554 118.5343 55.3398 29.3931 174.6146 124 P 4.3933 0.0000 0.0000 63.1433 31.3069 176.3217 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 T 8.17 4.40 4.49 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 1.34 0.00 0.00 3 K 8.55 4.19 0.00 1.50 1.40 0.00 1.48 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.42 7.81 4 K 9.80 5.03 0.00 1.60 1.68 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 5 V 8.63 4.65 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 1.04 0.00 0.00 0.76 0.00 0.00 6 L 8.81 4.89 0.00 1.80 1.52 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.05 4.78 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.16 0.00 0.00 8 V 9.12 4.41 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 1.06 0.00 0.00 1.00 0.00 0.00 9 E 9.02 4.84 0.00 2.33 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 10 D 9.01 4.33 0.00 2.84 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 11 N 8.50 4.53 0.00 2.80 2.77 0.00 0.00 6.70 7.17 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 12 E 8.83 3.87 0.00 2.05 1.91 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 2.35 2.39 0.00 13 L 7.84 3.91 0.00 1.84 1.60 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.28 3.77 0.00 2.65 2.18 0.00 0.00 6.68 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 15 M 8.03 4.04 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 16 K 8.06 3.97 0.00 1.98 1.81 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 17 L 7.69 3.84 0.00 1.57 1.37 0.84 0.73 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 18 F 7.92 4.46 0.00 3.14 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 19 H 8.70 4.22 0.00 3.27 3.58 0.00 5.59 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 20 D 8.58 4.34 0.00 2.70 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 21 L 7.90 4.08 0.00 1.84 1.96 0.71 0.90 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 22 L 8.17 4.32 0.00 1.92 1.94 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.88 4.20 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 24 A 7.91 4.04 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 25 Q 7.54 4.10 0.00 1.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.64 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 26 G 8.01 3.83 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 0.00 0.00 0.00 27 Y 7.15 4.96 0.00 3.08 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 28 E 9.11 4.73 0.00 1.97 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 2.32 2.30 0.00 29 T 8.40 5.29 4.40 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 1.32 0.00 0.00 30 L 9.02 4.98 0.00 1.57 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.49 5.12 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 32 T 8.64 4.59 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 33 R 8.69 4.64 0.00 1.85 1.97 0.00 3.26 0.00 0.00 2.27 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 34 E 7.85 5.08 0.00 1.94 1.82 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 2.22 2.29 0.00 35 G 9.26 3.71 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 0.00 0.00 0.00 36 L 7.92 4.00 0.00 1.69 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.10 4.12 0.00 4.01 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 38 A 7.87 4.04 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 39 L 7.58 3.90 0.00 1.80 1.61 0.69 0.75 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 40 S 7.73 4.06 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.30 3.70 1.87 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 1.45 0.82 0.91 0.00 0.00 42 A 8.24 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 43 R 7.72 3.92 0.00 1.94 1.98 0.00 3.11 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 44 E 7.86 4.20 0.00 1.97 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 2.30 2.38 0.00 45 N 8.48 4.94 0.00 2.64 2.79 0.00 0.00 7.11 7.15 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 46 K 8.02 3.85 0.00 1.87 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.23 7.81 47 P 0.00 4.57 0.00 2.30 2.07 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 48 D 8.82 4.62 0.00 2.54 2.67 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 49 L 7.48 4.57 0.00 1.56 1.31 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.63 4.78 1.84 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 1.09 0.51 0.91 0.00 0.00 51 L 9.09 4.93 0.00 1.61 1.51 0.77 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.95 5.21 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 53 D 9.00 4.85 0.00 3.07 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 54 I 9.02 3.90 1.90 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 1.41 0.75 0.92 0.00 0.00 55 Q 7.64 4.42 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 56 L 7.46 4.31 0.00 2.01 1.78 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.57 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 58 E 7.98 4.41 0.00 2.12 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 2.25 2.26 0.00 59 I 6.83 4.36 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.99 0.00 0.00 60 S 8.50 4.49 0.00 3.89 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 61 G 9.05 3.74 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 0.00 0.00 0.00 62 L 7.84 4.09 0.00 1.71 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.00 3.88 0.00 2.08 1.65 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 2.19 2.23 0.00 64 V 7.66 3.98 2.33 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 1.26 0.00 0.00 1.13 0.00 0.00 65 T 8.26 4.04 4.40 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 1.26 0.00 0.00 66 K 7.54 4.01 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 67 W 7.99 4.76 0.00 3.64 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 68 L 8.18 4.06 0.00 1.96 1.75 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.04 4.21 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.74 1.62 7.81 70 E 7.90 4.39 0.00 2.29 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 2.35 2.44 0.00 71 D 7.52 4.83 0.00 2.81 2.67 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 72 D 8.82 4.54 0.00 2.83 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 73 D 8.37 4.62 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 74 L 7.76 4.53 0.00 1.86 1.65 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.36 4.12 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 76 H 8.09 4.43 0.00 3.28 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.24 3.89 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.20 0.89 0.00 0.00 78 P 0.00 4.34 0.00 2.04 2.13 0.00 3.69 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 2.06 1.90 0.00 79 V 8.38 4.69 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 1.03 0.00 0.00 0.97 0.00 0.00 80 V 8.81 4.65 1.95 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 0.86 0.00 0.00 0.81 0.00 0.00 81 A 8.84 4.89 1.24 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 0.00 0.00 0.00 82 V 8.70 4.82 2.16 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 1.26 0.00 0.00 0.81 0.00 0.00 83 T 8.68 5.00 4.27 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 1.24 0.00 0.00 84 A 8.77 4.26 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 *94 I 7.89 4.17 1.87 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 1.28 0.61 0.91 0.00 0.00 95 R 7.35 4.21 0.00 1.73 1.91 0.00 3.35 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.17 0.00 *97 G 8.05 3.83 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 0.00 0.00 0.00 98 G 7.92 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 99 C 8.24 4.46 0.00 3.13 3.08 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 0.00 100 E 8.90 4.24 0.00 1.80 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 2.38 2.38 0.00 101 A 7.73 4.66 1.15 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 0.00 0.00 0.00 0.00 0.00 *102 Y 8.26 5.15 0.00 2.05 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 0.00 0.00 0.00 103 I 8.85 4.70 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 1.15 0.00 0.00 104 S 9.02 4.97 0.00 3.82 3.80 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 0.00 105 K 8.20 5.19 0.00 1.50 1.54 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.21 7.81 106 P 0.00 4.32 0.00 2.17 2.10 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 107 I 8.14 4.55 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.72 1.14 0.00 0.00 108 S 8.43 4.67 0.00 3.94 3.86 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 0.00 109 V 8.44 3.66 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 1.14 0.00 0.00 0.94 0.00 0.00 110 V 7.81 3.64 2.14 0.00 0.00 0.00 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 0.97 0.00 0.00 111 H 8.05 4.19 0.00 3.36 3.52 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.67 4.10 0.00 3.24 3.37 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 0.00 113 L 8.52 3.92 0.00 1.80 1.76 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.68 3.90 0.00 2.09 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 2.28 2.35 0.00 115 T 7.80 3.74 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 1.08 0.00 0.00 116 I 7.26 3.53 1.54 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.25 0.70 0.00 0.00 117 K 8.27 3.94 0.00 1.84 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.68 7.81 118 R 7.88 3.89 0.00 1.90 2.08 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 119 L 7.34 4.15 0.00 1.58 1.63 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.91 4.06 0.00 1.54 1.48 0.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.19 4.41 0.00 2.00 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 2.31 2.50 0.00 122 R 7.28 4.71 0.00 1.74 1.79 0.00 3.19 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 123 Q 8.36 4.16 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 124 P 0.00 4.39 0.00 2.05 2.01 0.00 3.70 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 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.