NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3876 8.3193 115.2808 58.0047 63.3656 173.5443 2 I 3.3793 8.2759 122.2006 63.2039 37.9651 174.8428 3 Q 3.9146 7.8035 121.1355 56.2719 30.2270 177.6019 4 A 4.0455 8.6068 123.6478 52.8294 17.7960 178.9453 5 E 3.6004 7.9116 116.1427 56.1402 29.6275 178.2134 6 E 3.8457 8.3279 121.8371 58.5093 30.0348 177.6251 7 W 4.5722 7.0532 114.9569 56.6768 29.1956 174.6532 8 Y 5.1017 7.6274 122.5480 57.1120 38.3033 175.2692 9 F 4.4101 9.1237 126.1193 56.2629 40.6964 177.8831 10 G 3.4792 5.4728 111.4324 46.8132 0.0000 176.5304 11 K 4.4667 8.5614 119.5879 54.3637 30.3541 175.0544 12 I 4.6340 7.3072 114.3012 58.1471 40.9032 176.9711 13 T 4.2865 8.0839 112.7001 60.8520 71.2093 175.7051 14 R 3.7609 9.1212 121.5427 59.6991 29.8927 178.5582 15 R 3.8730 7.8839 117.9122 59.2034 30.1623 177.8851 16 E 3.9137 8.2256 119.4786 59.2741 29.6873 178.7081 17 S 4.0570 8.2852 114.5883 61.7729 62.7066 176.4824 18 E 3.9350 8.3714 122.0792 58.8896 28.9815 178.9736 19 R 3.8809 7.9947 118.0221 59.7683 30.1450 178.2316 20 L 4.1389 7.7734 117.0831 57.6639 41.7096 179.0438 21 L 4.2322 7.8645 117.5661 56.3473 42.2026 177.2993 22 L 4.3574 8.0925 119.8006 54.8846 41.6273 176.3189 23 N 4.8500 7.9115 116.7901 51.4101 40.6842 174.9514 24 A 4.0508 8.7325 128.4646 54.9543 18.6101 178.1696 25 E 4.1389 8.3447 114.4680 58.3685 29.9157 177.1399 26 N 4.3972 7.9754 117.4433 52.5805 39.0560 173.5114 27 P 4.5549 0.0000 0.0000 61.1598 32.6915 175.6858 28 R 4.0319 8.1027 118.3795 58.0788 30.3010 177.7987 29 G 4.1048 9.1565 109.1970 46.4966 0.0000 173.5116 30 T 4.6903 7.5576 117.0363 64.0954 69.6894 173.3050 31 F 5.4336 8.9509 119.3353 56.3669 42.0475 172.3659 32 L 4.7983 8.7442 118.4487 54.8397 44.2661 174.2193 33 V 5.1862 9.4704 119.6570 61.3115 34.6151 174.4654 34 R 4.8778 9.1017 122.6286 54.4213 33.5748 173.9478 35 E 4.5940 9.0305 119.4207 56.2400 30.1870 177.2798 36 S 4.2685 8.3734 118.0650 58.4368 62.5758 174.3172 37 E 4.1493 8.9309 126.8761 59.4939 29.6105 178.3330 38 T 4.1007 7.8086 107.2608 63.1179 69.7740 174.5344 39 T 4.4865 7.9564 119.4018 60.8086 70.5114 173.4909 40 K 4.2036 8.5298 126.6394 57.9937 33.0634 177.7556 41 G 3.7314 8.8091 109.6442 45.3468 0.0000 172.7224 42 A 4.6356 7.5308 121.3732 50.6084 22.1772 175.0081 43 Y 5.2800 8.7359 115.5459 56.5951 42.8521 174.6411 44 C 5.3882 9.3122 117.8781 58.0500 31.8925 173.1320 45 L 4.9538 9.3817 126.0556 54.1013 43.3935 175.0822 46 S 5.2277 9.1779 123.2860 56.8167 65.5214 173.4917 47 V 5.0889 8.8907 124.6961 61.1121 34.9158 174.7208 48 S 4.9261 9.2174 122.9431 58.2913 65.0083 172.4488 49 D 5.1536 9.1281 120.7802 53.3856 45.6156 173.4819 50 F 5.6313 8.7352 120.3924 58.1289 42.2168 172.4655 51 D 4.7689 7.5924 123.9686 51.8912 42.6078 175.9974 52 N 3.9995 8.7716 116.0894 56.0803 38.8619 177.0361 53 A 4.0268 7.9748 120.4250 54.8875 18.6048 178.5056 54 K 4.1245 9.5615 113.7572 55.7120 33.7206 179.4622 55 G 3.1361 7.9654 108.5465 45.1823 0.0000 172.0320 56 L 4.9795 8.4191 124.1177 55.1512 43.0779 176.9654 57 N 5.0257 8.9040 122.3930 52.0770 41.3949 172.9606 58 V 4.9358 8.1712 117.4862 61.0781 34.8203 174.4678 59 K 4.5642 8.8568 124.9996 54.7903 35.6559 174.7680 60 H 5.2690 8.1375 118.7418 54.1931 32.3417 172.6570 61 Y 4.7273 8.8089 119.1226 55.9781 41.4787 174.5731 62 K 4.7005 8.8418 125.1527 56.1835 34.2055 175.2058 63 I 5.0572 9.0838 128.8052 59.7750 39.2283 175.1698 64 R 4.7619 8.5727 124.4428 54.4973 32.2823 175.2267 65 K 4.4597 8.0345 120.4706 54.4782 34.6615 175.9656 66 L 4.3468 8.9301 128.1799 54.0662 42.5394 177.9033 67 D 4.3699 8.5254 120.7581 56.3138 39.6264 177.9078 68 S 4.1864 7.9351 112.8946 58.7864 63.1856 174.0753 69 G 4.0045 7.7308 110.1403 45.7547 0.0000 174.7796 70 G 4.0787 8.1183 106.5587 45.9032 0.0000 172.6266 71 F 5.5249 9.2576 120.5892 56.1236 41.4109 174.6667 72 Y 5.2447 8.6915 119.1218 57.1278 41.0446 175.2481 73 I 4.3235 9.0426 120.6297 62.3896 38.4288 176.2436 74 T 4.7836 7.8341 114.3635 59.7866 69.3045 174.7793 75 S 2.7900 8.4308 122.6290 60.2678 63.0604 175.3824 76 R 3.9744 7.4460 118.9023 58.1270 29.8712 177.1435 77 T 4.1813 7.7199 114.2640 61.7221 69.8960 172.8717 78 Q 4.9110 7.6698 123.7134 53.7675 31.7707 175.2858 79 F 4.9355 8.7717 117.9156 55.7735 42.4475 176.3347 80 N 4.6316 8.9640 120.1025 55.4436 39.0234 175.5624 81 S 4.6263 7.7716 111.5379 55.7659 67.6316 174.7071 82 L 3.3745 7.2540 122.8621 57.7980 41.6806 178.8717 83 Q 4.0570 7.8283 117.6985 59.2222 28.7760 178.6292 84 Q 4.0726 8.1966 119.0306 58.5070 28.6470 178.5639 85 L 2.4400 7.5006 121.4806 57.6722 41.9936 179.2056 86 V 3.1376 7.7700 118.1060 65.6954 30.2454 177.6418 87 A 3.8662 8.1523 120.7480 55.3918 18.2183 178.9602 88 Y 3.9306 7.9791 118.2534 60.9827 38.8711 177.5230 89 Y 4.7135 7.6571 117.4660 59.0884 37.9003 177.3108 90 S 4.7373 7.4141 116.4158 59.1442 63.1421 174.6261 91 K 4.2903 7.0037 116.4811 56.1928 34.2145 176.0714 92 H 4.6324 7.7424 115.6939 53.5420 31.8449 174.3311 93 A 3.9605 8.7443 127.3045 54.5039 19.6662 178.5517 94 D 4.6042 7.6757 113.7671 56.0492 40.1195 175.1201 95 G 3.9192 8.8426 116.4948 46.5123 0.0000 173.1866 96 L 3.9513 7.9797 121.5322 53.5901 42.3900 177.8297 97 C 4.4079 8.7471 115.7808 61.6366 29.6682 173.5775 98 H 4.5658 7.2161 114.4904 54.5755 32.4783 173.3818 99 R 4.1339 7.8755 120.7063 55.6900 30.3423 175.9725 100 L 4.1726 8.4911 120.9574 55.1806 41.3367 175.8878 101 T 4.6353 8.2610 112.4636 61.8142 70.5311 173.7106 102 T 4.8235 7.6828 117.5566 60.3820 72.4429 173.2362 103 V 3.4304 8.3312 125.1844 62.4039 32.4499 175.1627 104 C 4.0387 8.4107 128.8776 59.2029 31.6038 171.9623 105 P 4.4949 0.0000 0.0000 62.8383 31.7767 176.4365 106 T 4.3464 8.3880 109.5409 62.0605 69.0236 174.6832 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 8.32 4.39 0.00 3.80 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 2 I 8.28 3.38 1.41 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.07 0.75 0.00 0.00 3 Q 7.80 3.91 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 4 A 8.61 4.05 1.28 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 5 E 7.91 3.60 0.00 1.16 1.12 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 2.16 1.75 0.00 6 E 8.33 3.85 0.00 1.99 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 0.00 2.30 2.25 0.00 7 W 7.05 4.57 0.00 3.47 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 8 Y 7.63 5.10 0.00 2.79 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 9 F 9.12 4.41 0.00 2.83 2.99 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 10 G 5.47 3.48 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 0.00 0.00 0.00 11 K 8.56 4.47 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.60 7.81 12 I 7.31 4.63 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.99 0.00 0.00 13 T 8.08 4.29 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 1.21 0.00 0.00 14 R 9.12 3.76 0.00 1.74 2.01 0.00 2.94 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 15 R 7.88 3.87 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 16 E 8.23 3.91 0.00 2.15 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 0.00 2.34 2.40 0.00 17 S 8.29 4.06 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 3.94 0.00 2.16 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 0.00 2.37 2.57 0.00 19 R 7.99 3.88 0.00 1.79 2.09 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 20 L 7.77 4.14 0.00 1.74 1.66 0.96 0.90 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 21 L 7.86 4.23 0.00 1.67 1.70 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.09 4.36 0.00 1.71 1.69 0.95 1.22 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 23 N 7.91 4.85 0.00 2.70 2.66 0.00 0.00 6.92 7.78 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 24 A 8.73 4.05 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 25 E 8.34 4.14 0.00 2.16 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 2.32 2.27 0.00 26 N 7.98 4.40 0.00 2.87 2.77 0.00 0.00 7.03 7.93 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 27 P 0.00 4.55 0.00 2.15 1.94 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 28 R 8.10 4.03 0.00 1.42 1.61 0.00 3.28 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 29 G 9.16 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 30 T 7.56 4.69 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 31 F 8.95 5.43 0.00 3.23 3.23 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 32 L 8.74 4.80 0.00 1.29 1.09 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.47 5.19 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 1.33 0.00 0.00 1.07 0.00 0.00 34 R 9.10 4.88 0.00 2.01 1.97 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 35 E 9.03 4.59 0.00 1.89 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 0.00 2.48 2.48 0.00 36 S 8.37 4.27 0.00 3.90 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 37 E 8.93 4.15 0.00 1.98 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 2.30 2.28 0.00 38 T 7.81 4.10 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 1.20 0.00 0.00 39 T 7.96 4.49 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 1.18 0.00 0.00 40 K 8.53 4.20 0.00 1.83 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 41 G 8.81 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 0.00 0.00 0.00 42 A 7.53 4.64 1.26 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 0.00 0.00 0.00 43 Y 8.74 5.28 0.00 3.18 3.21 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 44 C 9.31 5.39 0.00 2.89 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 45 L 9.38 4.95 0.00 1.78 1.81 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.18 5.23 0.00 3.79 3.75 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 47 V 8.89 5.09 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 1.15 0.00 0.00 1.06 0.00 0.00 48 S 9.22 4.93 0.00 3.95 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 49 D 9.13 5.15 0.00 2.78 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 50 F 8.74 5.63 0.00 3.09 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 51 D 7.59 4.77 0.00 2.69 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 52 N 8.77 4.00 0.00 2.72 2.90 0.00 0.00 6.89 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 53 A 7.97 4.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.56 4.12 0.00 1.53 1.77 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.31 7.81 55 G 7.97 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 0.00 0.00 0.00 56 L 8.42 4.98 0.00 1.89 1.67 1.11 0.93 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 57 N 8.90 5.03 0.00 2.82 2.83 0.00 0.00 6.03 7.84 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 58 V 8.17 4.94 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 0.70 0.00 0.00 0.91 0.00 0.00 59 K 8.86 4.56 0.00 1.62 1.13 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.56 7.81 60 H 8.14 5.27 0.00 2.85 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.81 4.73 0.00 2.91 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 62 K 8.84 4.70 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.66 7.81 63 I 9.08 5.06 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 1.26 0.00 0.00 64 R 8.57 4.76 0.00 1.40 1.85 0.00 2.83 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.15 0.00 65 K 8.03 4.46 0.00 1.07 1.51 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.91 1.23 7.81 66 L 8.93 4.35 0.00 1.78 1.59 1.09 1.03 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 67 D 8.53 4.37 0.00 2.75 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 68 S 7.94 4.19 0.00 4.00 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 69 G 7.73 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 70 G 8.12 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 71 F 9.26 5.52 0.00 3.23 3.15 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 72 Y 8.69 5.24 0.00 3.45 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 73 I 9.04 4.32 1.97 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.28 0.98 0.00 0.00 74 T 7.83 4.78 4.34 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 1.33 0.00 0.00 75 S 8.43 2.79 0.00 3.50 3.43 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 76 R 7.45 3.97 0.00 1.77 1.96 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 77 T 7.72 4.18 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 0.81 0.00 0.00 78 Q 7.67 4.91 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 79 F 8.77 4.94 0.00 3.30 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 80 N 8.96 4.63 0.00 3.01 2.97 0.00 0.00 6.74 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 81 S 7.77 4.63 0.00 4.01 3.95 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 82 L 7.25 3.37 0.00 0.63 1.31 0.70 0.24 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 83 Q 7.83 4.06 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 84 Q 8.20 4.07 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 85 L 7.50 2.44 0.00 1.55 1.58 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.77 3.14 1.46 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 0.23 0.00 0.00 -0.04 0.00 0.00 87 A 8.15 3.87 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 88 Y 7.98 3.93 0.00 2.92 2.38 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 89 Y 7.66 4.71 0.00 2.91 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 90 S 7.41 4.74 0.00 3.86 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 91 K 7.00 4.29 0.00 1.48 1.43 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.23 7.81 92 H 7.74 4.63 0.00 2.57 3.05 0.00 5.61 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 93 A 8.74 3.96 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 94 D 7.68 4.60 0.00 3.09 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 0.00 0.00 0.00 0.00 95 G 8.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.95 0.00 1.60 1.26 0.38 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.75 4.41 0.00 3.36 3.21 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 98 H 7.22 4.57 0.00 3.09 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.88 4.13 0.00 2.09 1.93 0.00 3.15 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 100 L 8.49 4.17 0.00 1.18 0.34 0.13 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.26 4.64 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 102 T 7.68 4.82 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 1.23 0.00 0.00 103 V 8.33 3.43 2.09 0.00 0.00 0.00 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 1.01 0.00 0.00 104 C 8.41 4.04 0.00 2.82 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 0.00 105 P 0.00 4.49 0.00 2.11 1.99 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 T 8.39 4.35 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 1.12 0.00 0.00