NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2673 8.3293 121.7104 56.0502 30.2353 175.4532 3 T 4.0464 8.3174 116.1899 60.6851 71.1758 173.9814 4 L 3.5900 8.4358 122.2107 57.8086 41.9783 180.5072 5 N 4.3075 8.0274 116.4757 56.8544 38.9220 176.4950 6 D 4.3922 7.8664 120.2181 57.4480 40.9118 178.7807 7 I 3.8686 7.7599 120.3215 64.6289 37.1006 177.9058 8 Y 4.1598 8.3879 120.5755 60.8224 38.6933 178.0538 9 L 3.8743 8.2212 119.6960 57.5905 41.6907 179.3731 10 A 3.9664 8.0928 120.9905 55.0248 18.3092 179.0960 11 Y 2.3994 7.5894 118.0604 60.3747 38.7466 178.2587 12 L 3.3516 7.4771 119.8994 57.4314 41.4661 178.9816 13 D 4.2623 7.9603 118.3119 57.2983 41.0840 178.5046 14 S 4.0557 7.6823 114.6937 61.2602 62.8564 176.4382 15 L 3.9395 7.5150 122.5009 57.7562 41.1601 179.3058 16 N 4.5545 8.1930 114.9590 56.0448 38.4545 176.1203 17 H 4.5114 7.5903 115.1717 54.2412 29.2461 174.7436 18 Q 2.0000 7.5222 118.6080 56.3747 27.0159 175.0564 19 A 4.1311 7.3417 120.3393 51.0640 17.2607 178.8864 20 F 4.8836 7.2332 119.1296 57.9589 40.1705 178.1681 21 D 4.4286 8.0729 120.2516 56.9589 40.9341 177.4132 22 E 4.3531 8.0108 117.1324 56.6589 29.6400 177.9316 23 L 4.3610 7.8393 122.5001 58.2570 41.9651 178.8773 24 G 3.7233 8.1431 103.8560 47.1796 0.0000 175.0793 25 T 3.7770 7.8294 117.6325 65.7956 68.6153 174.9110 26 F 4.8441 8.2097 117.8602 57.0872 40.6652 175.3977 27 V 4.5385 7.3734 120.0945 60.2849 34.0341 174.2519 28 D 4.4639 8.7478 126.8919 54.0751 41.9459 176.6714 29 D 4.4246 8.7983 124.0285 57.0326 40.9532 177.7801 30 N 5.2027 8.1098 115.3383 52.3328 39.3562 175.0623 31 V 3.9218 7.4023 117.9798 62.6289 32.5794 174.3065 32 E 5.0580 8.9234 124.2398 54.5759 32.5696 173.8127 33 H 4.7687 8.1151 126.1265 54.5083 32.6692 173.2995 34 N 4.0768 9.1870 125.4439 54.3412 36.5270 175.5425 35 G 4.0002 7.8074 103.5406 45.6746 0.0000 173.7688 36 R 4.1635 7.4186 120.3678 54.2116 30.4335 175.0345 37 P 4.9547 0.0000 0.0000 61.4082 30.0423 175.9679 38 F 4.6573 8.1351 114.5474 56.5121 39.3363 177.6781 39 G 4.2655 8.5699 111.5343 45.0247 0.0000 174.4207 40 L 3.8920 8.3958 119.5119 58.2562 41.7837 178.9839 41 S 4.1014 8.0170 112.6332 61.3012 62.2149 176.1557 42 G 3.0792 7.3954 107.1029 47.6188 0.0000 174.7508 43 Y 3.5618 6.9748 120.8522 60.1682 39.0367 177.6039 44 R 3.9194 8.1130 119.8112 59.3215 30.1693 179.2779 45 D 4.5067 7.7795 116.6835 54.6450 40.7896 178.4025 *47 L 4.2550 7.9129 121.4456 54.8630 44.0004 179.4396 48 V 3.6680 7.6863 117.9510 65.9050 31.2275 178.0674 49 K 3.9940 8.1918 119.3232 59.4632 32.0793 178.2987 50 D 4.3577 8.1867 118.7685 57.8185 40.4773 178.9926 51 F 4.2968 8.5450 117.5582 60.1729 38.6726 177.8022 52 A 4.1663 7.8992 119.7325 55.2669 18.4073 179.1286 53 D 4.6242 8.5549 117.7176 56.0261 41.9819 175.9115 54 I 4.5656 7.7067 119.7889 58.1555 37.9276 173.6078 55 P 4.5319 0.0000 0.0000 64.4807 31.7338 177.0116 56 D 4.7658 7.9165 115.9709 52.7874 39.6010 175.5731 57 L 3.8585 7.3855 122.0433 55.7522 42.3457 176.4537 58 R 4.8113 8.0079 124.2863 54.8708 33.1528 173.5471 59 F 4.5084 10.0595 124.7808 55.8525 40.6251 175.1474 60 E 4.6420 8.1692 124.0164 54.6121 33.0642 173.4235 61 A 4.8177 8.7331 129.2588 51.6955 18.9545 176.8283 62 E 4.2901 9.3634 123.4576 58.3211 30.7402 177.4710 63 I 4.7428 7.6403 119.0218 59.4503 41.7660 174.2955 64 L 5.1420 8.6135 125.3700 52.8987 44.9231 175.9617 65 V 4.5698 8.7963 123.7040 61.0613 34.3379 174.4122 66 S 5.1633 8.6140 121.0406 57.2189 65.9774 173.3847 67 D 4.8536 8.5442 120.8789 52.5124 40.6924 175.8791 68 A 4.1388 8.8932 119.3166 54.8601 18.8236 178.4552 69 T 4.6731 8.1704 103.2418 61.2841 70.9393 173.5125 70 R 5.5211 8.8145 121.1716 54.5113 34.8717 174.0041 71 L 5.2629 9.1162 122.1442 53.4393 46.0142 174.7019 72 A 5.0137 9.2582 127.3293 49.8965 21.9081 174.7997 73 A 5.0483 8.8425 123.8441 50.0167 22.6406 174.9618 74 R 4.8092 8.9279 123.1632 55.0790 31.6348 174.8464 75 L 5.1440 9.0026 127.3329 52.9993 44.2675 175.2706 76 F 4.9294 8.3637 125.6989 56.3112 41.4069 174.5596 77 F 4.2043 7.8765 124.5224 55.2686 41.9583 173.8841 78 D 4.9714 8.0409 122.2339 53.0410 43.2942 173.6635 79 C 4.8656 8.5322 120.0604 58.7052 33.6724 173.4399 80 T 4.7143 8.3356 114.4374 60.4235 68.4663 171.1191 81 P 4.2711 0.0000 0.0000 62.5965 32.1701 177.4267 82 K 4.0159 9.1781 124.4901 58.1870 33.1671 176.0613 83 S 4.9936 7.6627 117.0038 56.8762 66.1931 175.3989 84 I 4.5910 8.5776 118.9066 60.7594 37.8734 175.6368 85 F 4.8659 8.7322 127.6850 57.6086 39.3587 174.7985 *87 D 4.6860 7.9599 114.1920 53.9863 42.6980 175.7677 88 L 4.7809 7.7755 118.8700 52.4200 44.6204 174.9846 89 P 4.9968 0.0000 0.0000 61.6240 30.3846 175.9528 90 V 3.5764 7.8290 125.3676 66.6351 32.7557 176.1726 91 N 4.6374 8.8585 115.3324 53.3155 36.1690 175.6873 92 G 4.0181 8.5647 103.0624 45.4014 0.0000 173.2333 93 R 4.2808 7.4096 118.2295 55.4426 31.0423 176.2985 94 R 4.4274 8.4987 123.9157 56.3007 30.9054 175.8527 95 V 4.9044 9.0672 119.0338 59.7408 36.3730 174.3220 96 Q 5.1379 9.0156 121.9503 54.2389 31.2295 175.0166 97 F 5.0395 8.2267 117.0272 56.3859 41.9206 172.7226 98 C 5.4637 8.9684 116.7068 58.1803 31.7581 172.2581 99 E 5.3803 9.3767 121.2860 54.9336 32.6889 174.1348 100 H 5.6128 9.4823 124.2225 54.1186 31.3839 173.6538 101 V 5.0687 8.7016 122.7555 59.9823 34.9715 174.3353 102 F 5.2118 9.4617 122.6325 56.0020 41.8707 174.1057 103 Y 5.2367 9.3978 120.6785 56.3834 41.3302 174.2378 104 D 5.3485 9.4019 124.2825 53.2864 42.7349 175.4489 105 F 5.3047 9.4443 122.9482 55.8732 41.5777 175.4611 106 E 4.5612 9.0509 121.7138 55.7887 32.7380 176.1582 107 Q 3.6082 9.8698 124.1676 57.1431 26.2252 174.2736 108 A 3.9275 8.3067 115.1381 52.3755 16.8802 178.0808 109 K 4.9217 7.9072 115.5163 54.6721 35.8578 175.7084 110 I 3.2387 8.4409 123.6824 61.6010 37.4136 176.3879 111 R 4.3376 9.0779 127.6017 57.1394 32.8353 175.8729 112 R 4.8967 7.6117 115.9716 54.2499 34.8043 174.4827 113 V 4.5590 7.9146 121.9597 60.7073 35.2202 174.0730 114 W 5.0584 9.2320 127.0438 54.9848 31.9603 174.2768 115 S 5.2572 9.9573 120.3051 56.3676 64.7215 173.2722 116 V 4.5394 8.9249 125.9912 61.1839 34.2716 174.3797 117 L 5.1764 8.5733 127.1152 53.4515 43.9716 177.1909 118 D 4.6551 8.6098 121.9117 53.0240 39.2285 176.8216 119 K 3.8185 8.0820 125.2947 58.8374 32.6104 177.9071 120 V 3.7362 7.7789 117.9487 65.8718 31.4092 177.5378 121 A 4.0745 8.1485 120.0600 55.3313 18.2199 179.7717 122 I 3.6971 7.4141 117.4063 64.5237 37.3325 178.1944 123 E 3.9372 8.2177 119.4959 59.8907 29.1336 179.8738 124 R 3.9882 7.9011 116.2942 59.4043 30.1610 178.8775 125 Q 4.1799 7.7489 116.6855 58.3320 28.8357 177.8300 126 L 4.4082 7.8492 118.8179 56.1502 42.0420 177.5406 127 G 3.8777 7.7650 109.5476 44.9085 0.0000 173.2714 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 Q 8.33 4.27 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 3 T 8.32 4.05 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 4 L 8.44 3.59 0.00 1.47 1.22 0.80 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.03 4.31 0.00 2.81 2.82 0.00 0.00 7.23 8.49 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 6 D 7.87 4.39 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 7 I 7.76 3.87 1.99 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 1.49 0.77 1.30 0.00 0.00 8 Y 8.39 4.16 0.00 3.15 3.16 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 9 L 8.22 3.87 0.00 1.76 1.69 0.96 0.55 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 10 A 8.09 3.97 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.59 2.40 0.00 2.35 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 12 L 7.48 3.35 0.00 1.62 1.54 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.96 4.26 0.00 2.74 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 14 S 7.68 4.06 0.00 4.14 4.02 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 15 L 7.51 3.94 0.00 1.42 1.55 0.67 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.19 4.55 0.00 2.80 2.84 0.00 0.00 7.07 8.97 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 17 H 7.59 4.51 0.00 2.94 3.22 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.52 2.00 0.00 1.63 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.37 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 19 A 7.34 4.13 1.16 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 20 F 7.23 4.88 0.00 3.12 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 21 D 8.07 4.43 0.00 2.68 2.75 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 22 E 8.01 4.35 0.00 2.36 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 0.00 2.30 2.18 0.00 23 L 7.84 4.36 0.00 2.05 1.80 1.26 1.11 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 24 G 8.14 3.72 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 0.00 0.00 0.00 25 T 7.83 3.78 3.36 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 0.39 0.00 0.00 26 F 8.21 4.84 0.00 3.33 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 27 V 7.37 4.54 2.02 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 0.51 0.00 0.00 0.62 0.00 0.00 28 D 8.75 4.46 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 29 D 8.80 4.42 0.00 2.74 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 30 N 8.11 5.20 0.00 2.84 2.81 0.00 0.00 7.03 7.83 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 31 V 7.40 3.92 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 0.85 0.00 0.00 0.95 0.00 0.00 32 E 8.92 5.06 0.00 1.98 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 33 H 8.12 4.77 0.00 3.29 2.47 0.00 5.78 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.19 4.08 0.00 2.70 2.73 0.00 0.00 7.13 8.50 0.00 0.00 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 G 7.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 4.16 0.00 1.34 1.50 0.00 3.01 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 37 P 0.00 4.95 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 38 F 8.14 4.66 0.00 3.10 3.16 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 39 G 8.57 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 0.00 0.00 0.00 0.00 40 L 8.40 3.89 0.00 1.91 1.67 0.91 0.84 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 41 S 8.02 4.10 0.00 3.90 3.79 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 42 G 7.40 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 0.00 0.00 0.00 43 Y 6.97 3.56 0.00 3.00 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 44 R 8.11 3.92 0.00 1.97 1.96 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 45 D 7.78 4.51 0.00 2.76 2.58 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 *47 L 7.91 4.25 0.00 1.23 1.47 1.09 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 48 V 7.69 3.67 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 1.04 0.00 0.00 0.92 0.00 0.00 49 K 8.19 3.99 0.00 1.98 1.78 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.49 7.81 50 D 8.19 4.36 0.00 2.94 2.59 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 0.00 0.00 0.00 0.00 51 F 8.54 4.30 0.00 3.24 3.19 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 52 A 7.90 4.17 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 53 D 8.55 4.62 0.00 2.79 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 54 I 7.71 4.57 1.62 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.57 0.70 0.00 0.00 55 P 0.00 4.53 0.00 2.05 2.17 0.00 3.68 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 56 D 7.92 4.77 0.00 2.80 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 57 L 7.39 3.86 0.00 1.36 0.87 0.28 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.01 4.81 0.00 1.75 1.65 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.89 0.00 59 F 10.06 4.51 0.00 2.99 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 60 E 8.17 4.64 0.00 1.96 1.67 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 2.28 2.32 0.00 61 A 8.73 4.82 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 62 E 9.36 4.29 0.00 1.97 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 2.27 2.32 0.00 63 I 7.64 4.74 1.85 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 1.34 0.75 0.89 0.00 0.00 64 L 8.61 5.14 0.00 1.49 1.61 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.80 4.57 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 0.92 0.00 0.00 0.90 0.00 0.00 66 S 8.61 5.16 0.00 3.87 3.70 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 67 D 8.54 4.85 0.00 2.75 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 68 A 8.89 4.14 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 69 T 8.17 4.67 4.35 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 1.26 0.00 0.00 70 R 8.81 5.52 0.00 1.83 2.01 0.00 3.14 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 71 L 9.12 5.26 0.00 1.69 1.62 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.26 5.01 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.84 5.05 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 74 R 8.93 4.81 0.00 1.80 1.83 0.00 3.16 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 75 L 9.00 5.14 0.00 1.72 1.16 1.43 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.36 4.93 0.00 2.92 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 77 F 7.88 4.20 0.00 1.51 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 0.00 0.00 0.00 78 D 8.04 4.97 0.00 2.42 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 79 C 8.53 4.87 0.00 3.04 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 80 T 8.34 4.71 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 1.23 0.00 0.00 81 P 0.00 4.27 0.00 1.94 1.64 0.00 3.63 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 1.70 1.35 0.00 82 K 9.18 4.02 0.00 1.68 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.37 7.81 83 S 7.66 4.99 0.00 3.84 3.14 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 0.00 0.00 0.00 0.00 84 I 8.58 4.59 1.88 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 1.30 0.66 0.97 0.00 0.00 85 F 8.73 4.87 0.00 2.91 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 *87 D 7.96 4.69 0.00 2.65 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 88 L 7.78 4.78 0.00 1.72 1.51 0.84 1.17 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 89 P 0.00 5.00 0.00 2.17 2.08 0.00 3.76 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 1.96 1.94 0.00 90 V 7.83 3.58 2.27 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 1.04 0.00 0.00 1.07 0.00 0.00 91 N 8.86 4.64 0.00 2.89 2.82 0.00 0.00 6.59 7.35 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 92 G 8.56 4.02 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 0.00 0.00 0.00 93 R 7.41 4.28 0.00 1.81 1.87 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 94 R 8.50 4.43 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 95 V 9.07 4.90 2.23 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 0.74 0.00 0.00 1.10 0.00 0.00 96 Q 9.02 5.14 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 97 F 8.23 5.04 0.00 3.18 3.19 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 98 C 8.97 5.46 0.00 3.03 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 99 E 9.38 5.38 0.00 2.44 2.23 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 2.45 2.60 0.00 100 H 9.48 5.61 0.00 3.19 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.70 5.07 2.35 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 1.10 0.00 0.00 0.48 0.00 0.00 102 F 9.46 5.21 0.00 3.24 3.16 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 0.00 103 Y 9.40 5.24 0.00 3.05 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 0.00 104 D 9.40 5.35 0.00 2.74 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 0.00 105 F 9.44 5.30 0.00 2.99 3.01 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 0.00 106 E 9.05 4.56 0.00 1.99 1.84 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 2.26 2.31 0.00 107 Q 9.87 3.61 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 108 A 8.31 3.93 1.42 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 0.00 0.00 109 K 7.91 4.92 0.00 1.94 1.69 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.52 7.81 110 I 8.44 3.24 1.45 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.03 0.86 0.00 0.00 111 R 9.08 4.34 0.00 1.85 2.00 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 112 R 7.61 4.90 0.00 1.63 0.74 0.00 3.24 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 113 V 7.91 4.56 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 0.84 0.00 0.00 1.13 0.00 0.00 114 W 9.23 5.06 0.00 3.40 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 0.00 115 S 9.96 5.26 0.00 3.86 3.73 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 0.00 116 V 8.92 4.54 2.19 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 1.06 0.00 0.00 1.01 0.00 0.00 117 L 8.57 5.18 0.00 1.62 1.63 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.61 4.66 0.00 2.91 2.75 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 0.00 119 K 8.08 3.82 0.00 1.74 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.35 7.81 120 V 7.78 3.74 2.23 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 1.01 0.00 0.00 0.93 0.00 0.00 121 A 8.15 4.07 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 0.00 122 I 7.41 3.70 1.90 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.93 0.00 0.00 123 E 8.22 3.94 0.00 2.19 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 0.00 2.31 2.58 0.00 124 R 7.90 3.99 0.00 1.98 2.03 0.00 3.19 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 125 Q 7.75 4.18 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 126 L 7.85 4.41 0.00 1.64 1.73 0.92 0.94 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 0.00 127 G 7.77 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 * Residues marked with a * may have inaccurate shift predictions.