NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4441 8.3349 115.4126 57.7946 63.1636 173.1902 2 K 4.0537 8.2610 126.7787 56.7540 32.8094 175.6783 3 T 4.2564 8.4202 117.4544 65.0665 71.0805 175.2759 4 N 4.3407 7.9776 120.2293 53.2408 39.7649 173.5768 5 P 4.2976 0.0000 0.0000 65.4580 31.5136 178.9753 6 R 3.8707 8.6857 117.4899 59.0847 30.0117 178.5519 7 L 3.8943 8.1288 119.7631 58.2202 42.0829 178.6603 8 S 4.1092 7.9636 114.0137 61.8298 62.7022 176.5716 9 S 4.0521 8.0697 118.9736 60.9648 62.5516 176.1305 10 L 4.1031 8.2633 124.4904 57.7672 41.8239 179.1927 11 I 3.6501 8.1523 119.4523 64.4045 37.0231 178.3152 12 A 4.0382 8.0858 121.5498 55.0411 17.6900 179.5838 13 D 4.1810 8.0817 117.4860 57.6440 41.0625 178.6454 14 L 3.8503 8.0594 119.7213 58.4579 41.4846 179.3534 15 K 4.1023 8.2928 118.3059 58.4960 31.8888 179.2551 16 S 4.0076 8.3153 112.8787 61.5306 62.7476 176.4837 17 A 4.1196 8.3222 123.3777 55.3310 17.8928 179.2656 18 A 4.8698 7.5420 118.2645 54.9975 18.5435 179.9075 19 R 4.0290 8.0501 115.0359 60.1908 30.3809 178.7111 20 S 3.7903 8.8697 111.7620 64.6180 63.2486 180.8447 21 S 4.6418 8.1944 126.3507 58.8514 62.6886 175.7618 22 G 4.0570 8.6562 115.3669 45.6580 0.0000 172.8204 23 G 3.5501 8.1218 109.7878 46.1023 0.0000 174.0059 24 A 4.5351 8.2431 124.6674 52.7601 20.5414 179.0704 25 V 3.5351 7.2469 110.7774 63.8415 31.5759 178.6162 26 W 4.8624 7.7028 118.6545 59.9362 28.7657 178.5083 27 G 3.8160 8.2148 104.2125 46.6399 0.0000 174.9104 28 D 4.4048 7.6786 119.8888 57.1962 41.5153 178.3516 29 V 3.5731 8.0905 118.5912 65.8447 31.5288 177.8986 30 A 4.0449 8.1844 120.6746 55.0872 18.1034 178.8740 31 E 4.1858 7.6721 112.0557 57.3881 29.6194 177.9611 32 R 4.3637 7.2271 119.2903 58.4074 30.9940 178.0717 33 L 3.8003 7.7218 116.5292 56.9020 41.6379 178.5129 34 E 4.1597 7.9404 118.2772 57.1825 29.8034 176.6558 35 K 4.3685 7.4303 117.9776 54.5591 33.4816 174.6112 36 P 4.2667 0.0000 0.0000 63.0955 31.9146 177.9715 37 R 3.4705 8.6437 120.7894 59.1965 30.1763 179.2920 38 R 3.9456 7.8807 113.1987 58.8437 29.4576 177.5742 39 T 4.1300 7.6395 107.5516 63.1934 69.3304 174.6068 40 H 4.3709 7.8425 119.2434 55.7883 29.4655 174.0516 41 A 4.4751 8.1507 122.6196 51.3723 20.2593 176.5896 42 E 4.8274 8.7886 121.2839 54.2397 31.2173 174.1402 43 V 4.4037 8.7407 123.9999 60.9857 34.1919 174.2773 44 N 5.8701 8.5157 124.1964 51.5532 40.5861 175.8908 45 L 4.0741 8.9409 121.8002 58.4750 41.8992 180.0563 46 G 3.9410 7.7133 103.9002 47.9984 0.0000 175.6072 47 R 4.1282 8.1828 120.4284 59.3686 30.3072 178.3618 48 I 3.7878 7.8386 119.1532 64.4506 36.8811 177.6275 49 E 3.9205 8.0406 118.8776 59.4781 29.5183 178.5884 50 R 3.8878 7.3290 115.9825 58.6128 30.0472 176.6369 51 Y 4.6860 7.6975 113.2691 57.5383 38.7027 175.1840 52 A 4.7001 7.5714 123.2793 51.0298 21.0161 177.3819 53 Q 4.5111 8.2673 114.3497 55.1567 30.9597 174.2197 54 E 3.9825 8.9579 122.0336 57.5619 30.1897 175.8689 55 D 4.3087 8.5164 116.7557 54.7512 38.3958 174.8293 56 E 4.8122 7.8989 117.9346 56.4248 31.5269 174.4737 57 T 4.0944 8.5939 124.1408 64.4226 69.9556 173.2847 58 V 4.4274 8.8697 127.1709 61.9801 32.9689 174.6232 59 V 4.7875 8.6683 129.2309 61.4139 33.3988 174.5498 60 V 5.0127 8.9369 128.9600 58.9952 32.9927 174.3167 61 P 4.8786 0.0000 0.0000 59.4111 29.2106 175.4399 62 G 4.2686 6.9156 120.5315 46.6370 0.0000 173.1940 63 K 4.9451 9.2738 126.6745 54.2333 35.8787 173.6685 64 V 4.8092 8.4021 125.9640 61.3771 33.6757 174.4002 65 L 5.0520 9.1385 127.4073 52.2353 44.9932 176.8344 66 G 4.0412 8.5518 109.6029 46.8633 0.0000 174.2598 67 S 4.5217 8.8488 116.0917 60.2836 63.4228 172.8109 68 G 3.7812 7.8351 114.7537 43.7903 0.0000 171.2021 69 V 4.4090 8.0333 118.6152 60.7468 34.3147 175.0436 70 L 4.8089 8.5265 127.7501 53.3937 44.4332 175.5184 71 Q 4.5113 8.9071 123.7375 56.7687 31.0735 176.9165 72 K 3.9434 7.9866 116.6426 56.8664 33.2069 177.2636 73 D 5.4892 8.3841 123.5379 52.9135 40.2969 175.4343 74 V 4.4356 7.2144 114.8631 60.6959 34.9002 177.1497 75 T 4.7522 8.3641 119.9481 62.5022 69.9488 173.7469 76 V 4.7301 9.0642 127.8523 61.4464 33.6871 174.5056 77 A 5.8975 9.7275 129.1953 49.4827 21.7337 174.5968 78 A 5.2570 8.1848 122.1662 49.2621 22.8128 176.6763 79 V 3.6426 8.3280 118.6271 66.2453 32.0194 175.6358 80 D 4.5656 7.1640 116.6670 53.4140 44.4327 174.2777 81 F 5.3990 8.7843 120.6094 55.2703 42.9118 175.0656 82 S 4.3679 9.2937 117.6146 58.0874 63.7280 175.6019 83 G 3.6670 8.7790 106.5373 48.0272 0.0000 176.2058 84 T 3.9770 7.8797 117.3629 66.4454 68.6462 176.5303 85 A 4.0339 8.0447 122.7432 55.2989 18.3386 179.3345 86 E 3.6450 8.2353 117.4861 59.3023 29.6986 179.1687 87 T 3.9816 7.4330 114.5379 66.2512 68.5984 177.2496 88 K 4.2741 8.4176 119.2978 59.0063 32.2295 179.3221 89 I 3.9466 7.8232 120.4903 64.3124 37.1609 177.8690 90 D 4.8652 7.4148 119.5365 56.2001 40.6795 178.8742 91 Q 4.1665 7.4982 117.5087 58.2830 29.0970 177.3936 92 V 4.4284 7.1559 110.0472 60.5698 33.6007 174.4065 93 G 4.4888 7.7139 111.6754 45.5766 0.0000 174.0931 94 E 5.1133 9.1243 125.1241 54.3879 33.4902 173.2727 95 A 5.0116 8.7153 128.5401 50.2148 20.6430 176.0108 96 V 4.6386 9.4602 123.2092 61.0573 35.5002 175.2431 97 S 5.0750 8.5821 119.5148 57.5501 64.4572 175.2518 98 L 3.8999 8.0668 121.1355 58.0354 41.0414 179.7355 99 E 3.9176 8.1124 117.2031 59.0265 29.5545 178.9191 100 Q 4.1448 7.6109 117.5536 58.3776 29.2635 177.6791 101 A 4.0497 7.9179 121.7508 55.6502 17.8456 179.7416 102 I 3.1290 7.9884 118.1250 63.7458 36.7957 177.5059 103 E 4.2726 8.2117 118.4666 57.1786 29.8300 176.8447 104 N 4.7326 7.9709 114.5764 54.0707 40.9314 174.5066 105 N 5.1695 8.7236 118.1437 51.1331 38.8684 173.1322 106 P 4.8300 0.0000 0.0000 64.7560 31.8666 177.5053 107 E 4.3363 8.3854 116.9732 55.9778 29.7344 177.2095 108 G 3.2160 8.2570 104.0327 46.3667 0.0000 173.2800 109 S 4.5603 8.2620 118.6086 57.2330 66.9726 174.3901 110 H 3.9375 8.5094 115.6576 56.7235 25.9296 175.5457 111 V 4.6017 7.1753 115.9163 60.1097 34.5436 176.2236 112 R 4.3340 8.7022 127.0466 54.8670 31.2631 175.2685 113 V 4.3895 8.3165 127.2561 62.6755 32.4032 175.1204 114 I 4.7882 9.0037 128.5888 59.4902 41.1607 176.0013 115 R 4.1476 8.2848 120.9870 56.6280 29.1816 174.7362 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 S 8.33 4.44 0.00 3.99 3.99 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 2 K 8.26 4.05 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.42 4.26 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 4 N 7.98 4.34 0.00 2.75 2.72 0.00 0.00 7.22 7.71 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.69 3.87 0.00 1.88 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.13 3.89 0.00 1.75 1.81 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.96 4.11 0.00 4.10 4.21 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 0.00 0.00 0.00 0.00 9 S 8.07 4.05 0.00 4.06 3.93 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 0.00 0.00 0.00 10 L 8.26 4.10 0.00 1.80 1.94 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.15 3.65 2.11 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 1.44 1.11 0.91 0.00 0.00 12 A 8.09 4.04 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 13 D 8.08 4.18 0.00 2.76 2.63 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 0.00 0.00 0.00 14 L 8.06 3.85 0.00 1.83 1.94 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.29 4.10 0.00 2.05 1.80 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.32 4.01 0.00 3.91 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 17 A 8.32 4.12 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 18 A 7.54 4.87 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.03 0.00 1.93 2.02 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 20 S 8.87 3.79 0.00 3.96 3.81 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 21 S 8.19 4.64 0.00 4.10 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 22 G 8.66 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.54 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 25 V 7.25 3.54 1.68 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 0.51 0.00 0.00 -0.42 0.00 0.00 26 W 7.70 4.86 0.00 3.35 3.22 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 27 G 8.21 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 28 D 7.68 4.40 0.00 3.06 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 29 V 8.09 3.57 2.41 0.00 0.00 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 1.16 0.00 0.00 30 A 8.18 4.04 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 31 E 7.67 4.19 0.00 2.13 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 2.36 2.62 0.00 32 R 7.23 4.36 0.00 1.86 1.98 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 33 L 7.72 3.80 0.00 1.64 1.65 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.94 4.16 0.00 2.27 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 2.33 2.35 0.00 35 K 7.43 4.37 0.00 2.06 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 36 P 0.00 4.27 0.00 2.14 1.97 0.00 3.61 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 2.11 2.12 0.00 37 R 8.64 3.47 0.00 1.79 1.91 0.00 3.11 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 38 R 7.88 3.95 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.64 4.13 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 1.21 0.00 0.00 40 H 7.84 4.37 0.00 3.28 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.15 4.48 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 42 E 8.79 4.83 0.00 1.81 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 2.19 2.27 0.00 43 V 8.74 4.40 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.52 5.87 0.00 2.71 3.04 0.00 0.00 7.59 6.74 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 45 L 8.94 4.07 0.00 1.71 1.78 0.95 0.88 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 46 G 7.71 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 47 R 8.18 4.13 0.00 1.99 2.10 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 48 I 7.84 3.79 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 0.97 0.00 0.00 49 E 8.04 3.92 0.00 2.05 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 0.00 2.31 2.34 0.00 50 R 7.33 3.89 0.00 1.85 1.79 0.00 2.63 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 51 Y 7.70 4.69 0.00 2.97 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 52 A 7.57 4.70 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 53 Q 8.27 4.51 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 54 E 8.96 3.98 0.00 1.98 1.97 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 2.50 2.38 0.00 55 D 8.52 4.31 0.00 2.80 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 56 E 7.90 4.81 0.00 1.96 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 2.20 2.20 0.00 57 T 8.59 4.09 4.31 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 1.37 0.00 0.00 58 V 8.87 4.43 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 0.95 0.00 0.00 1.04 0.00 0.00 59 V 8.67 4.79 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 1.04 0.00 0.00 1.15 0.00 0.00 60 V 8.94 5.01 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 1.14 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.88 0.00 2.13 2.21 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 6.92 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 63 K 9.27 4.95 0.00 1.69 1.55 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.32 7.81 64 V 8.40 4.81 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 1.11 0.00 0.00 0.84 0.00 0.00 65 L 9.14 5.05 0.00 1.92 1.49 0.93 0.95 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 66 G 8.55 4.04 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 0.00 0.00 0.00 67 S 8.85 4.52 0.00 4.00 3.89 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 68 G 7.84 3.78 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 0.00 0.00 0.00 69 V 8.03 4.41 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.53 4.81 0.00 1.60 1.50 1.00 0.73 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 71 Q 8.91 4.51 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 72 K 7.99 3.94 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.74 7.81 73 D 8.38 5.49 0.00 2.75 2.57 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 74 V 7.21 4.44 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 0.86 0.00 0.00 1.01 0.00 0.00 75 T 8.36 4.75 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 1.26 0.00 0.00 76 V 9.06 4.73 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 1.17 0.00 0.00 1.02 0.00 0.00 77 A 9.73 5.90 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 78 A 8.18 5.26 0.64 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 0.00 0.00 79 V 8.33 3.64 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 0.68 0.00 0.00 0.87 0.00 0.00 80 D 7.16 4.57 0.00 2.75 2.36 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 81 F 8.78 5.40 0.00 2.85 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 82 S 9.29 4.37 0.00 3.90 4.06 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 0.00 0.00 0.00 83 G 8.78 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 84 T 7.88 3.98 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 1.26 0.00 0.00 85 A 8.04 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.24 3.64 0.00 2.10 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 2.16 1.99 0.00 87 T 7.43 3.98 4.38 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 1.20 0.00 0.00 88 K 8.42 4.27 0.00 1.68 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 89 I 7.82 3.95 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.88 0.00 0.00 90 D 7.41 4.87 0.00 2.54 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 91 Q 7.50 4.17 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 92 V 7.16 4.43 2.24 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 0.73 0.00 0.00 0.96 0.00 0.00 93 G 7.71 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 0.00 0.00 0.00 0.00 94 E 9.12 5.11 0.00 1.99 1.73 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 2.17 2.23 0.00 95 A 8.72 5.01 0.46 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 0.00 0.00 96 V 9.46 4.64 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 1.10 0.00 0.00 0.95 0.00 0.00 97 S 8.58 5.08 0.00 4.20 4.04 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 98 L 8.07 3.90 0.00 1.73 1.56 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.11 3.92 0.00 1.87 1.97 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 2.27 2.39 0.00 100 Q 7.61 4.14 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 101 A 7.92 4.05 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 0.00 102 I 7.99 3.13 1.59 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.63 0.00 0.00 103 E 8.21 4.27 0.00 1.85 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 2.26 2.31 0.00 104 N 7.97 4.73 0.00 2.78 2.89 0.00 0.00 6.63 8.00 0.00 0.00 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 N 8.72 5.17 0.00 2.76 3.07 0.00 0.00 6.83 7.75 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 0.00 106 P 0.00 4.83 0.00 2.30 2.24 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 107 E 8.39 4.34 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 2.28 2.39 0.00 108 G 8.26 3.22 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 0.00 109 S 8.26 4.56 0.00 3.96 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 0.00 110 H 8.51 3.94 0.00 3.31 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.18 4.60 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 0.44 0.00 0.00 0.93 0.00 0.00 112 R 8.70 4.33 0.00 2.31 1.86 0.00 3.12 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 113 V 8.32 4.39 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 9.00 4.79 1.89 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 1.47 1.65 0.93 0.00 0.00 115 R 8.28 4.15 0.00 1.84 1.80 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00