NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3944 8.3049 120.3450 55.2204 33.2889 178.2686 3 L 4.8322 8.6837 111.4285 49.5654 44.6325 174.7110 4 T 4.0718 8.6578 113.3188 61.6081 71.6724 174.8816 5 A 3.9665 8.4824 122.9242 55.1753 18.3792 179.6732 6 E 3.8578 8.1312 116.8769 59.9012 29.7249 179.1892 7 E 3.9727 8.4174 118.4380 59.2206 29.4462 179.8109 8 K 3.9798 8.2814 118.4560 59.4753 32.1039 179.2127 9 A 4.0345 7.9661 120.7342 54.9650 18.1963 179.4982 10 A 3.9706 7.9326 119.0316 55.4303 18.4480 180.0611 11 V 3.6351 7.7859 116.6878 66.3828 31.5403 178.2829 12 T 3.9941 8.4043 115.6852 66.7021 68.1191 176.5159 13 A 4.0297 8.2003 121.5198 55.0518 18.6802 178.8913 14 F 4.1138 8.7687 119.7374 61.4708 39.3692 177.1066 15 W 4.2317 9.1038 128.2575 60.4905 30.2573 177.8486 16 G 3.7126 8.0307 104.8214 47.5926 0.0000 174.9868 17 K 4.1150 7.6023 118.7931 56.6158 32.5212 177.5166 18 V 3.5129 6.5660 120.3443 62.4234 31.8382 177.1481 19 K 4.1609 8.3187 126.9989 55.0566 30.7821 177.5692 20 V 3.4543 8.0110 123.6780 66.2268 31.5809 176.3202 21 D 4.3346 8.2256 117.6328 57.2088 38.7280 178.2637 22 E 3.8450 8.0283 119.5889 58.7664 29.6079 179.4173 23 V 3.6046 7.9244 118.0289 66.0107 31.3502 178.3652 24 G 3.6994 8.1954 105.4081 47.7594 0.0000 175.7298 25 G 3.6996 8.0051 108.9739 47.4099 0.0000 175.2915 26 E 3.8666 8.3704 121.8278 58.7494 29.6210 178.6902 27 A 3.9459 8.2241 121.1208 55.1349 18.5465 179.3468 28 L 3.9720 8.2752 119.2825 58.1068 42.1642 179.3049 29 G 3.5836 8.2622 105.8236 48.0424 0.0000 175.8141 30 R 3.8884 8.2911 121.4380 58.5343 29.9785 178.7338 31 L 4.0417 8.1193 120.3058 58.5153 42.2232 179.2806 32 L 4.0053 7.7511 119.7820 56.8061 41.2257 179.7341 33 V 3.5456 7.5112 117.6753 65.8722 31.6948 178.0394 34 V 3.5752 8.0217 116.9177 64.1956 32.6435 175.4966 35 Y 4.1538 7.3716 116.6780 54.2985 37.9113 174.0822 36 P 4.7780 0.0000 0.0000 64.4427 31.7980 178.4703 37 W 4.3798 8.1839 116.6192 59.4386 27.6187 177.9810 38 T 4.2654 7.4484 110.8109 64.4475 68.0031 176.2692 39 Q 4.2431 8.1102 121.4594 58.9061 28.3948 178.5055 40 R 3.8120 7.9502 119.2507 59.5273 30.1325 178.2622 41 F 4.1266 7.4313 114.3621 58.9912 39.0200 175.6636 42 F 4.3746 8.1254 118.4619 56.6786 40.1069 177.1582 43 E 4.2498 8.2600 122.0028 59.1609 29.6331 178.7382 44 S 4.3590 8.0582 112.8269 60.4176 63.0793 175.0846 45 F 4.6229 8.6695 119.9100 58.7651 39.7618 175.6527 46 G 4.0530 7.3856 104.7242 43.8913 0.0000 175.1588 47 D 4.4986 8.6969 126.4642 54.3260 41.0987 175.5480 48 L 4.9172 8.3520 126.5387 54.5385 43.1996 177.8954 49 S 4.3355 8.3411 116.2806 60.0677 63.6657 174.3579 50 T 4.6727 7.4692 109.8822 58.7929 72.8460 174.6475 51 A 3.9424 8.3219 122.3171 55.4815 18.4181 179.4569 52 D 4.2926 8.1271 116.6282 57.5371 40.9888 178.8054 53 A 3.9889 8.1991 121.2549 55.0864 18.1517 179.8271 54 V 3.5305 7.6459 115.4913 66.5665 31.7370 177.8860 55 M 4.1947 7.8886 116.9071 58.0975 31.9200 177.6940 56 N 4.7519 7.9114 113.4975 52.1520 39.4629 174.8878 57 N 4.3502 7.4915 120.8089 53.1956 39.5979 173.7981 58 P 4.2809 0.0000 0.0000 65.5453 31.3971 178.8717 59 K 3.7007 7.9512 117.0339 58.9967 31.8025 179.4080 60 V 3.7414 8.0247 118.6878 65.9860 31.5354 178.2624 61 K 3.9473 8.1361 117.9530 59.3174 31.6966 179.1777 62 A 3.9521 8.0460 120.9945 55.5796 18.2945 179.2579 63 H 4.3077 8.6028 117.1209 59.2516 29.8768 177.5533 64 G 3.7209 8.5999 108.1478 47.7522 0.0000 175.4592 65 K 3.9810 8.0679 121.7385 59.3291 32.1985 179.1190 66 K 4.0450 7.7986 118.7655 59.2016 31.9553 179.5034 67 V 3.7105 8.1964 118.9970 66.2543 31.5200 178.1965 68 L 4.3857 8.4379 118.9517 58.0051 41.4447 179.2950 69 D 4.6158 8.5715 119.1383 57.2631 40.7069 178.7320 70 S 4.1197 8.3435 113.8714 61.3331 62.3848 176.2141 71 F 4.0866 8.5797 120.4929 60.8744 38.5448 177.7611 72 S 4.1388 8.7387 113.8309 61.6761 62.9431 176.1078 73 N 4.5748 8.5119 119.9224 56.5880 38.6589 176.9522 74 G 3.8962 8.0867 107.1807 48.4525 0.0000 175.4501 75 M 3.9565 7.9210 119.6600 57.4581 31.9473 178.0834 76 K 4.3122 7.7729 116.4660 57.0005 33.1303 176.2939 77 H 4.9679 8.2792 117.6611 55.1834 29.8144 175.5050 78 L 3.9892 8.0797 120.3168 57.5317 41.8396 178.3178 79 D 4.5976 7.9601 116.1072 55.2903 41.9697 176.1879 80 D 4.8017 8.1513 119.2156 52.1314 41.9147 175.5758 81 L 4.1820 7.9046 123.7249 57.6783 42.0181 179.0388 82 K 4.0301 8.2300 117.3112 59.8480 32.3501 179.0032 83 G 3.7015 8.3469 105.4696 48.0887 0.0000 175.6925 84 T 3.7072 7.7963 117.1880 65.8563 68.7387 175.6915 85 F 4.3766 8.1894 117.0612 57.0138 39.1556 177.3582 86 A 3.9526 7.6220 122.6697 55.4382 18.1542 180.1897 87 A 3.9411 7.8657 118.5293 55.3309 18.4599 179.7364 88 L 4.0475 7.8520 117.0892 57.6844 41.8405 179.3156 89 S 4.2733 8.5654 114.9654 60.7701 62.3651 175.8357 90 E 3.8591 8.1284 121.7913 59.1467 29.5155 178.2398 91 L 3.8855 7.9745 120.2524 58.8911 42.0910 178.8661 92 H 4.3570 8.6418 115.5985 58.2851 28.0986 177.0714 93 C 4.0953 7.9404 120.4792 61.9023 31.3699 175.0748 94 D 4.2574 8.4151 119.5306 56.6771 41.1611 177.2932 95 K 4.2372 7.9024 116.3605 57.5303 32.9776 177.3478 96 L 4.3613 7.6730 116.4481 54.4000 42.7981 175.9920 97 H 4.1725 7.3541 114.1948 56.5695 26.7450 175.4816 98 V 3.5940 8.1009 118.5813 61.6680 32.1849 175.0179 99 D 4.3771 8.6315 127.1894 53.6713 41.9011 175.3185 100 P 3.2483 0.0000 0.0000 64.8162 31.9811 178.0201 101 E 3.8575 8.3624 119.1079 59.5491 29.2711 178.7163 102 N 4.3517 7.9101 116.3056 55.8809 38.4731 177.2758 103 F 4.4848 7.2689 118.9864 60.6816 38.9501 177.7409 104 K 4.0187 8.0833 117.3739 59.4669 31.8352 179.0343 105 L 3.8475 7.7045 118.8666 57.8041 41.4250 179.4665 106 L 4.1262 8.1897 120.1873 58.0576 42.1216 179.0521 107 G 3.8249 8.3695 105.7339 48.1491 0.0000 175.3761 108 N 4.4382 8.5434 119.3472 55.9688 38.4747 177.6862 109 V 3.6286 8.2551 120.0646 65.7824 31.5215 177.6636 110 L 3.8388 8.2543 120.4793 58.1986 41.8655 179.0784 111 V 3.4986 7.6763 117.8648 66.0886 31.3793 178.0582 112 V 3.6025 7.9877 117.9585 66.0105 31.3532 178.0632 113 V 3.5096 8.0061 118.1685 65.9538 31.3349 177.9529 114 L 3.8911 7.8674 118.5298 57.5444 41.2913 179.1622 115 A 4.0901 7.5296 120.5893 55.3536 18.1452 179.4839 116 R 3.8158 7.8964 115.7314 59.8768 30.2335 178.1220 117 N 4.3366 8.1019 114.1490 54.6665 39.0790 175.7555 118 F 4.6409 8.2032 116.8580 55.6996 42.0801 176.4852 119 G 3.8515 8.5683 111.3439 46.0811 0.0000 176.5367 120 K 4.1073 8.9615 120.2574 59.3813 32.1704 177.9830 121 E 4.2184 8.1390 117.3108 58.9911 29.6580 177.5953 122 F 4.4468 8.3905 122.9415 56.9616 37.8400 175.4737 123 T 4.0804 7.4226 115.6380 60.0950 71.1730 173.3151 124 P 4.0653 0.0000 0.0000 65.8832 31.3648 179.0156 125 V 3.4951 7.5762 116.0557 66.1206 31.4790 177.9104 126 L 3.9386 7.6848 118.6495 57.6716 41.2813 179.3256 127 Q 3.3297 7.9237 119.6827 58.8292 28.7645 178.0672 128 A 3.9620 7.9262 121.7666 55.4989 18.3966 179.4361 129 D 4.2715 7.9350 116.7438 57.3833 40.7555 178.9777 130 F 4.1873 8.5055 118.5154 60.2453 38.9363 177.7896 131 Q 4.1002 8.5249 118.4821 58.7630 28.3741 178.8839 132 K 3.9808 7.8208 119.6307 59.2844 31.9992 179.4338 133 V 3.5366 7.6866 118.4246 66.3461 31.5321 178.6239 134 V 3.8249 8.3215 112.0802 64.3069 31.2731 178.5251 135 A 4.1409 8.3280 120.9382 54.8191 18.1793 179.8850 136 G 3.4980 8.1945 104.4982 48.0101 0.0000 176.1400 137 V 2.9833 7.9019 121.2075 65.2121 31.5558 177.8931 138 A 3.8421 7.9414 120.4980 55.2573 18.0020 179.3705 139 N 4.3348 8.2316 114.0121 56.4239 38.7609 177.2284 140 A 4.1576 7.9902 122.1847 55.1262 18.5293 179.7001 141 L 3.7565 7.7918 117.2098 57.1506 41.6716 178.6236 142 A 4.5859 7.7869 118.8985 52.7410 18.4620 178.3326 143 H 3.8850 7.7015 117.8071 59.5553 29.8789 176.2366 144 R 4.3463 8.0029 113.6134 56.9424 29.4991 175.7441 145 Y 4.5899 8.2691 114.1764 59.8035 40.0742 175.5540 146 H 4.5574 8.1970 117.7850 55.7841 28.9578 174.9016 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 M 8.30 4.39 0.00 2.07 1.24 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 3 L 8.68 4.83 0.00 1.66 1.47 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.66 4.07 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 1.23 0.00 0.00 5 A 8.48 3.97 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 6 E 8.13 3.86 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 2.39 2.46 0.00 7 E 8.42 3.97 0.00 1.94 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 0.00 2.30 2.56 0.00 8 K 8.28 3.98 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.61 7.81 9 A 7.97 4.03 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 10 A 7.93 3.97 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 11 V 7.79 3.64 1.54 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 0.90 0.00 0.00 0.21 0.00 0.00 12 T 8.40 3.99 4.46 0.00 0.00 0.00 0.00 0.00 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 13 A 8.20 4.03 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 14 F 8.77 4.11 0.00 3.31 3.60 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 15 W 9.10 4.23 0.00 3.89 3.38 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 16 G 8.03 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 17 K 7.60 4.11 0.00 1.06 1.84 0.00 1.22 0.00 0.00 1.42 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.26 7.81 18 V 6.57 3.51 1.01 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 0.13 0.00 0.00 0.02 0.00 0.00 19 K 8.32 4.16 0.00 1.74 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 V 8.01 3.45 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 1.18 0.00 0.00 0.92 0.00 0.00 21 D 8.23 4.33 0.00 2.89 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 22 E 8.03 3.85 0.00 2.12 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 2.35 2.33 0.00 23 V 7.92 3.60 1.96 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 1.02 0.00 0.00 0.87 0.00 0.00 24 G 8.20 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 0.00 0.00 0.00 25 G 8.01 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 0.00 0.00 0.00 26 E 8.37 3.87 0.00 2.00 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 0.00 2.26 2.28 0.00 27 A 8.22 3.95 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 28 L 8.28 3.97 0.00 1.93 1.64 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.26 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 30 R 8.29 3.89 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 31 L 8.12 4.04 0.00 1.81 1.88 1.03 0.84 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 32 L 7.75 4.01 0.00 1.84 1.65 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.51 3.55 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 0.71 0.00 0.00 0.91 0.00 0.00 34 V 8.02 3.58 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 -0.21 0.00 0.00 0.75 0.00 0.00 35 Y 7.37 4.15 0.00 2.49 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 36 P 0.00 4.78 0.00 2.32 2.29 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.86 0.00 37 W 8.18 4.38 0.00 3.64 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 38 T 7.45 4.27 4.39 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 0.98 0.00 0.00 39 Q 8.11 4.24 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 40 R 7.95 3.81 0.00 1.71 1.66 0.00 3.12 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 41 F 7.43 4.13 0.00 2.71 2.50 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 0.00 0.00 0.00 0.00 42 F 8.13 4.37 0.00 2.79 2.03 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 43 E 8.26 4.25 0.00 2.15 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 0.00 2.31 2.30 0.00 44 S 8.06 4.36 0.00 4.13 4.13 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 45 F 8.67 4.62 0.00 3.06 3.18 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 46 G 7.39 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 0.00 0.00 0.00 0.00 47 D 8.70 4.50 0.00 2.66 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 48 L 8.35 4.92 0.00 1.65 1.61 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.34 4.34 0.00 4.00 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 50 T 7.47 4.67 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 51 A 8.32 3.94 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 52 D 8.13 4.29 0.00 2.69 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 53 A 8.20 3.99 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 54 V 7.65 3.53 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 0.85 0.00 0.00 1.02 0.00 0.00 55 M 7.89 4.19 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 56 N 7.91 4.75 0.00 2.76 2.84 0.00 0.00 7.00 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 57 N 7.49 4.35 0.00 2.99 2.88 0.00 0.00 7.13 7.86 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 58 P 0.00 4.28 0.00 2.14 2.04 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 59 K 7.95 3.70 0.00 1.52 0.74 0.00 1.55 0.00 0.00 1.34 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.15 1.27 7.81 60 V 8.02 3.74 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 1.08 0.00 0.00 1.06 0.00 0.00 61 K 8.14 3.95 0.00 1.98 1.83 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 62 A 8.05 3.95 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 63 H 8.60 4.31 0.00 3.56 3.59 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.60 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 65 K 8.07 3.98 0.00 1.88 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 66 K 7.80 4.05 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 67 V 8.20 3.71 2.37 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 1.32 0.00 0.00 1.03 0.00 0.00 68 L 8.44 4.39 0.00 1.95 1.88 1.24 1.29 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 69 D 8.57 4.62 0.00 2.92 2.79 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 70 S 8.34 4.12 0.00 4.08 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 0.00 71 F 8.58 4.09 0.00 3.49 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 72 S 8.74 4.14 0.00 4.18 4.29 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 73 N 8.51 4.57 0.00 2.84 2.87 0.00 0.00 7.02 7.32 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 74 G 8.09 3.90 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 0.00 0.00 0.00 75 M 7.92 3.96 0.00 1.70 2.03 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.29 0.00 76 K 7.77 4.31 0.00 1.89 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 77 H 8.28 4.97 0.00 3.09 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 3.99 0.00 1.59 1.69 0.82 1.12 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 79 D 7.96 4.60 0.00 2.66 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 80 D 8.15 4.80 0.00 2.69 2.50 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 0.00 0.00 0.00 0.00 81 L 7.90 4.18 0.00 1.75 1.73 0.88 1.20 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 82 K 8.23 4.03 0.00 1.74 1.93 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.77 7.81 83 G 8.35 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 0.00 0.00 0.00 84 T 7.80 3.71 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 0.68 0.00 0.00 85 F 8.19 4.38 0.00 3.07 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 86 A 7.62 3.95 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 87 A 7.87 3.94 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 88 L 7.85 4.05 0.00 1.95 1.84 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.57 4.27 0.00 3.99 4.03 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 90 E 8.13 3.86 0.00 2.07 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 2.29 2.29 0.00 91 L 7.97 3.89 0.00 1.87 1.87 0.90 0.96 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 92 H 8.64 4.36 0.00 3.49 3.68 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.94 4.10 0.00 2.59 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 94 D 8.42 4.26 0.00 2.53 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 95 K 7.90 4.24 0.00 1.87 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.37 7.81 96 L 7.67 4.36 0.00 1.80 1.69 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.35 4.17 0.00 3.47 3.45 0.00 5.65 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.10 3.59 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 0.20 0.00 0.00 0.44 0.00 0.00 99 D 8.63 4.38 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.25 0.00 1.91 1.77 0.00 3.34 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 101 E 8.36 3.86 0.00 2.02 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 0.00 2.26 2.38 0.00 102 N 7.91 4.35 0.00 2.60 2.77 0.00 0.00 6.95 8.28 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 0.00 103 F 7.27 4.48 0.00 3.11 2.87 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 0.00 104 K 8.08 4.02 0.00 1.92 1.87 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.55 7.81 105 L 7.70 3.85 0.00 1.67 1.10 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.19 4.13 0.00 1.89 1.96 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.37 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.54 4.44 0.00 2.93 2.96 0.00 0.00 6.70 8.51 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 0.00 109 V 8.26 3.63 2.29 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 1.17 0.00 0.00 1.19 0.00 0.00 110 L 8.25 3.84 0.00 1.61 1.74 0.82 0.07 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 0.00 111 V 7.68 3.50 2.32 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 1.28 0.00 0.00 1.13 0.00 0.00 112 V 7.99 3.60 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 1.03 0.00 0.00 1.04 0.00 0.00 113 V 8.01 3.51 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 0.91 0.00 0.00 1.02 0.00 0.00 114 L 7.87 3.89 0.00 0.72 0.70 0.49 0.76 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 0.00 115 A 7.53 4.09 1.54 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 0.00 0.00 116 R 7.90 3.82 0.00 1.90 2.03 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 117 N 8.10 4.34 0.00 2.75 2.25 0.00 0.00 6.88 6.98 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 0.00 118 F 8.20 4.64 0.00 3.52 3.34 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 0.00 119 G 8.57 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.96 4.11 0.00 1.82 1.96 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.46 7.81 121 E 8.14 4.22 0.00 2.50 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 0.00 2.50 2.41 0.00 122 F 8.39 4.45 0.00 2.91 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 0.00 123 T 7.42 4.08 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 1.28 0.00 0.00 124 P 0.00 4.07 0.00 2.11 2.10 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 125 V 7.58 3.50 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 1.03 0.00 0.00 0.89 0.00 0.00 126 L 7.68 3.94 0.00 1.53 1.44 0.90 1.12 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 0.00 127 Q 7.92 3.33 0.00 1.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 A 7.93 3.96 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 0.00 129 D 7.94 4.27 0.00 2.71 2.54 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 0.00 130 F 8.51 4.19 0.00 3.41 3.24 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 0.00 131 Q 8.52 4.10 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 132 K 7.82 3.98 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 133 V 7.69 3.54 2.28 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 1.16 0.00 0.00 0.65 0.00 0.00 134 V 8.32 3.82 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 1.04 0.00 0.00 135 A 8.33 4.14 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 0.00 136 G 8.19 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.90 2.98 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 -0.22 0.00 0.00 0.49 0.00 0.00 138 A 7.94 3.84 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 0.00 0.00 139 N 8.23 4.33 0.00 2.86 2.90 0.00 0.00 7.04 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 0.00 140 A 7.99 4.16 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 0.00 141 L 7.79 3.76 0.00 0.66 0.44 0.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.79 4.59 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 0.00 143 H 7.70 3.89 0.00 3.25 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.00 4.35 0.00 1.68 1.81 0.00 3.30 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 145 Y 8.27 4.59 0.00 2.84 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 0.00 146 H 8.20 4.56 0.00 3.23 3.32 0.00 5.58 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