NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5617 8.2893 118.1946 55.4142 32.6691 175.0408 2 T 4.2602 8.3212 110.7727 59.6892 71.6864 174.1075 3 M 4.0395 9.2856 122.0508 59.0472 32.4745 179.1782 4 E 3.9822 8.2597 117.9706 59.8346 29.6172 179.3839 5 Q 4.0256 8.0675 117.6149 58.6841 28.8311 178.5976 6 F 4.1319 8.4838 121.9818 61.3918 39.2861 177.0650 7 L 3.7637 8.2192 118.7777 58.2662 41.2780 179.8397 8 T 3.8943 7.7493 115.6386 66.3745 68.3235 176.9490 9 S 4.0396 8.1018 116.5394 61.2289 62.8011 176.3628 10 L 3.6590 7.3077 122.2348 57.9757 41.3883 179.3999 11 D 4.3458 7.3998 115.4572 57.5561 40.4995 178.8044 12 M 4.0750 7.4851 118.4428 58.2533 32.2137 178.4954 13 I 3.7918 8.2765 120.3265 64.4245 37.2868 178.3731 14 R 4.1292 8.1155 119.7131 59.5751 29.6913 178.6697 15 S 4.4014 8.1631 113.1479 61.3148 62.9717 176.3530 16 G 3.7832 7.9312 107.5795 46.4742 0.0000 173.9307 17 C 5.0346 8.0187 116.7138 58.2826 40.2912 175.5864 18 A 4.2089 8.9647 122.5664 55.1303 17.7765 177.7980 19 P 4.4200 0.0000 0.0000 64.5715 31.5576 178.1659 20 K 4.0020 7.8624 116.4172 56.6885 32.2112 176.2961 21 F 4.9578 7.4329 116.7027 55.3355 42.6171 174.4816 22 K 4.4249 9.2463 124.1065 55.0476 31.7165 175.6687 23 L 4.8504 8.1061 125.3767 52.2163 45.6309 176.9455 24 K 4.4101 8.2435 120.9390 55.5567 34.3927 178.3395 25 T 3.8543 8.4012 120.7183 66.6673 68.6099 176.6521 26 E 3.9763 8.0717 119.0675 59.3910 29.5256 178.9066 27 D 3.9803 7.8317 119.2244 57.1538 40.9658 178.5470 28 L 4.0060 7.7335 119.1808 57.7652 41.3653 179.1220 29 D 4.3729 8.4753 119.3081 57.6859 40.7707 179.3333 30 R 4.0562 7.7086 117.8440 59.1845 29.9866 179.1074 31 L 3.8051 8.1111 118.8951 57.6387 41.6890 179.3923 32 R 4.8100 8.3419 120.2203 58.4669 29.6998 177.9362 33 V 4.1712 7.3820 108.1133 60.8348 31.7049 176.2393 34 G 4.3542 8.6334 108.0567 46.6762 0.0000 174.1809 35 D 4.8265 8.6042 121.2800 52.9505 39.9519 175.3262 36 F 4.5321 8.8040 122.7636 57.2461 39.7381 177.1875 37 N 4.8555 8.3937 119.7233 51.2571 37.2868 174.5681 38 F 4.9334 6.9235 111.3226 54.8012 40.9853 172.7181 39 P 4.2356 0.0000 0.0000 62.0597 31.7559 174.1154 40 P 4.4433 0.0000 0.0000 61.2608 32.7938 176.3910 41 S 4.3011 8.1870 115.8865 58.1780 65.0798 175.1643 42 Q 3.8910 8.4406 122.4501 59.1351 28.7053 177.8359 43 D 4.4183 8.0445 119.6488 57.3876 40.9897 178.3452 44 L 3.9355 7.8517 120.6459 58.2995 41.9994 178.8625 45 M 4.0024 7.7462 118.4974 58.7688 31.9530 178.2362 46 C 4.3269 8.2267 116.4463 59.5627 41.4318 175.4539 47 Y 3.4602 7.6045 122.1532 60.7863 37.8251 178.3720 48 T 4.1810 7.9618 110.5362 64.7192 68.6680 176.2656 49 K 4.0179 7.8435 122.0970 59.4599 32.2723 177.9259 50 C 4.3182 8.2663 118.7849 59.6468 37.9729 175.5994 51 V 3.3942 7.7242 119.7306 66.3248 31.1665 178.2703 52 S 4.3066 8.4377 114.7827 61.4584 62.5988 176.6401 53 L 4.0281 8.5691 122.2481 58.1360 41.1802 179.1727 54 M 3.9946 7.9185 116.6536 58.5577 32.2002 177.6841 55 A 4.2290 7.7932 119.2684 52.5924 18.6702 178.3276 56 G 3.8195 7.9465 104.6948 46.1016 0.0000 174.6093 57 A 4.2804 8.0276 124.0769 53.2200 19.1115 178.4580 58 V 5.3768 7.7729 106.6938 58.4604 35.8143 174.6870 59 N 4.8550 8.2302 118.9184 51.3443 39.3179 175.7790 60 K 4.1559 8.4541 116.3695 58.8393 31.8346 178.2067 61 K 4.1810 8.2552 117.4096 56.4180 32.3503 178.1179 62 G 4.0114 8.2581 107.3868 45.5226 0.0000 173.4311 63 E 4.0228 8.4428 120.6970 55.4602 29.8852 175.9002 64 F 4.7943 8.2957 126.8204 57.8791 40.0805 174.9754 65 N 4.4954 8.2888 127.2148 51.7465 38.7004 174.8598 66 A 3.5481 7.7764 129.6077 54.1744 18.8407 176.9460 67 P 4.1421 0.0000 0.0000 65.7203 31.3586 178.7390 68 K 3.8908 8.2352 118.0469 59.1897 32.1353 178.5238 69 A 3.9799 8.1486 121.5424 55.4257 18.0737 179.6290 70 L 3.9380 7.8000 115.6225 57.9543 41.7539 179.4488 71 A 4.1234 7.7724 119.5383 54.9544 18.5789 179.1931 72 Q 4.2347 8.2760 116.5180 58.1499 28.9024 178.0986 73 L 3.9293 7.8913 120.5198 57.7606 41.5171 177.7225 74 P 4.2430 0.0000 0.0000 65.3216 31.2529 177.1840 75 H 4.7496 8.2639 112.6567 55.7826 29.2911 175.3795 76 L 4.5721 8.0374 120.7258 55.3678 43.0826 177.1377 77 V 4.2484 7.2405 109.0114 58.2382 35.4468 173.5171 78 P 4.5581 0.0000 0.0000 61.7666 32.4014 175.3985 79 P 4.1513 0.0000 0.0000 66.2165 30.9004 178.5861 80 E 3.9831 8.1776 115.6565 58.9408 29.6501 178.1178 81 M 4.4150 7.9383 116.6198 55.0588 32.6554 177.6112 82 M 3.9337 7.5747 120.2911 58.4575 32.1813 178.0969 83 E 3.8621 8.0347 118.5999 59.4542 29.8977 178.0640 84 M 3.9766 8.0411 117.6966 58.9235 32.2427 178.2438 85 S 4.0300 8.0277 114.9310 61.7528 63.0736 176.8083 86 R 3.9959 8.1902 121.0121 59.1891 29.7612 179.0847 87 K 3.9794 8.2533 119.4521 59.6428 32.2468 179.1772 88 S 4.1623 8.2488 115.5932 61.2825 62.4661 176.7569 89 V 3.8450 8.0407 120.5648 66.1118 31.1322 177.6150 90 E 4.1765 8.3104 117.9203 59.6327 29.2019 179.4220 91 A 4.1510 8.0852 118.8939 54.2782 18.6614 177.4032 92 C 4.8620 7.9411 112.6387 56.4692 41.2391 175.8968 93 R 4.2828 7.8904 117.7522 58.9463 28.5728 177.2663 94 D 4.8956 7.9718 115.7087 54.2182 41.8996 177.7788 95 T 3.9191 7.9049 119.5567 67.1160 68.3720 176.0974 96 H 4.3970 8.3041 116.3169 58.6368 28.2532 177.5553 97 K 4.0260 7.3061 119.3175 58.8502 31.8900 178.2965 98 Q 4.0467 7.6429 115.7763 55.5917 29.0391 175.4578 99 F 5.0149 7.4110 118.0076 55.6808 42.8629 174.5927 100 K 4.3897 8.8353 120.9804 57.7979 33.7375 177.4763 101 E 4.4380 7.9355 118.9466 54.9752 31.8953 176.9143 102 S 4.4021 8.5255 122.5485 61.4116 63.0428 177.5543 103 C 4.3125 8.4748 119.7694 59.4682 41.1474 175.4113 104 E 3.7337 8.4693 120.8663 59.2754 29.3427 178.8267 105 R 3.9229 8.2820 118.4533 59.4426 30.1222 179.2598 106 V 3.4619 7.6172 117.2122 66.0771 31.5258 177.1629 107 Y 3.8758 7.9116 120.7784 60.2665 38.5491 178.4229 108 Q 3.5454 7.9047 118.5469 58.8184 28.5543 178.9373 109 T 3.2573 7.3221 116.3585 66.2479 68.3931 176.6347 110 A 3.2673 7.3632 122.9450 54.3805 18.1479 179.5006 111 K 2.4800 6.8953 118.2968 59.2439 32.1412 177.9479 112 C 3.8697 7.4648 118.5547 59.6622 37.5839 175.3015 113 F 4.1819 7.5438 119.7741 60.8562 38.2784 177.9978 114 S 3.1921 6.7057 111.9102 61.0370 62.7472 175.9353 115 E 4.0323 7.7757 121.2024 58.2942 29.3879 177.7626 116 N 4.5825 7.9428 115.1601 53.2429 39.3516 174.9028 117 A 3.9876 7.0427 123.5410 52.9416 18.5907 176.7539 118 D 4.7574 8.7963 122.0778 53.5329 40.1172 176.4386 119 G 4.0441 7.3868 107.5325 45.0662 0.0000 171.9752 120 Q 4.1814 8.7846 118.9655 56.0576 29.2351 175.2529 121 F 5.1240 8.8467 124.5578 56.7029 41.9187 174.2878 122 M 5.3653 7.7314 123.7360 52.2583 35.3158 174.2634 123 W 4.6940 8.7908 133.4689 54.6402 33.4794 174.2225 124 P 4.2781 0.0000 0.0000 63.0488 30.7165 176.1365 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 M 8.29 4.56 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 T 8.32 4.26 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 1.22 0.00 0.00 3 M 9.29 4.04 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.74 0.00 4 E 8.26 3.98 0.00 2.03 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 2.42 2.37 0.00 5 Q 8.07 4.03 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 6 F 8.48 4.13 0.00 3.08 3.25 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 7 L 8.22 3.76 0.00 1.71 1.67 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.75 3.89 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 9 S 8.10 4.04 0.00 3.95 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 0.00 10 L 7.31 3.66 0.00 1.66 1.58 0.66 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.40 4.35 0.00 2.86 2.69 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 12 M 7.49 4.08 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 13 I 8.28 3.79 1.86 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 1.31 1.13 0.74 0.00 0.00 14 R 8.12 4.13 0.00 2.21 2.13 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 15 S 8.16 4.40 0.00 4.09 4.14 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 16 G 7.93 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 17 C 8.02 5.03 0.00 3.08 3.32 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 0.00 0.00 0.00 0.00 18 A 8.96 4.21 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 19 P 0.00 4.42 0.00 2.04 2.13 0.00 3.72 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 2.14 2.21 0.00 20 K 7.86 4.00 0.00 1.08 1.02 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.39 7.81 21 F 7.43 4.96 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 22 K 9.25 4.42 0.00 1.73 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 23 L 8.11 4.85 0.00 1.55 1.39 0.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.24 4.41 0.00 1.75 1.83 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 25 T 8.40 3.85 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 1.22 0.00 0.00 26 E 8.07 3.98 0.00 2.02 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 2.21 2.20 0.00 27 D 7.83 3.98 0.00 2.95 2.88 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 28 L 7.73 4.01 0.00 1.81 1.67 0.76 0.41 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 29 D 8.48 4.37 0.00 2.77 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 30 R 7.71 4.06 0.00 1.85 2.18 0.00 2.80 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 31 L 8.11 3.81 0.00 1.79 1.65 0.78 -0.36 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 32 R 8.34 4.81 0.00 2.07 2.18 0.00 3.15 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 V 7.38 4.17 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 0.77 0.00 0.00 1.10 0.00 0.00 34 G 8.63 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 0.00 0.00 0.00 0.00 35 D 8.60 4.83 0.00 2.71 2.92 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 36 F 8.80 4.53 0.00 2.82 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 37 N 8.39 4.86 0.00 2.94 2.88 0.00 0.00 6.67 7.47 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 38 F 6.92 4.93 0.00 3.11 2.95 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 39 P 0.00 4.24 0.00 2.17 2.08 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 40 P 0.00 4.44 0.00 1.54 1.28 0.00 3.48 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 41 S 8.19 4.30 0.00 4.04 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 42 Q 8.44 3.89 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 43 D 8.04 4.42 0.00 2.84 2.85 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 44 L 7.85 3.94 0.00 1.72 1.68 0.89 0.91 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 45 M 7.75 4.00 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.71 0.00 46 C 8.23 4.33 0.00 2.91 3.20 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 0.00 47 Y 7.60 3.46 0.00 2.64 2.93 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 48 T 7.96 4.18 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 1.23 0.00 0.00 49 K 7.84 4.02 0.00 1.87 2.07 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.51 7.81 50 C 8.27 4.32 0.00 3.35 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 51 V 7.72 3.39 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 0.32 0.00 0.00 0.35 0.00 0.00 52 S 8.44 4.31 0.00 4.09 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 53 L 8.57 4.03 0.00 1.91 1.76 0.99 0.91 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 54 M 7.92 3.99 0.00 2.09 2.21 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 2.61 2.54 0.00 55 A 7.79 4.23 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.95 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 57 A 8.03 4.28 1.59 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 0.00 0.00 58 V 7.77 5.38 2.18 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 1.28 0.00 0.00 1.01 0.00 0.00 59 N 8.23 4.85 0.00 2.96 2.99 0.00 0.00 5.96 6.97 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 60 K 8.45 4.16 0.00 1.80 1.95 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 K 8.26 4.18 0.00 1.99 1.87 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.46 7.81 62 G 8.26 4.01 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 0.00 0.00 0.00 63 E 8.44 4.02 0.00 2.19 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 2.39 2.29 0.00 64 F 8.30 4.79 0.00 2.88 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 65 N 8.29 4.50 0.00 2.66 2.52 0.00 0.00 6.66 8.38 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 66 A 7.78 3.55 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 67 P 0.00 4.14 0.00 2.21 2.09 0.00 3.67 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 2.13 0.00 68 K 8.24 3.89 0.00 1.79 1.83 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.43 7.81 69 A 8.15 3.98 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 70 L 7.80 3.94 0.00 1.62 1.74 0.98 0.72 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 71 A 7.77 4.12 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 72 Q 8.28 4.23 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 73 L 7.89 3.93 0.00 1.84 1.70 0.89 0.73 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 74 P 0.00 4.24 0.00 1.71 2.01 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 75 H 8.26 4.75 0.00 3.14 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.04 4.57 0.00 1.59 1.73 0.95 0.71 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 77 V 7.24 4.25 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 0.65 0.00 0.00 0.86 0.00 0.00 78 P 0.00 4.56 0.00 2.34 2.10 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 79 P 0.00 4.15 0.00 2.13 2.13 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 80 E 8.18 3.98 0.00 1.83 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 2.45 0.00 81 M 7.94 4.41 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 7.57 3.93 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 83 E 8.03 3.86 0.00 2.05 1.92 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 2.36 2.42 0.00 84 M 8.04 3.98 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.70 0.00 85 S 8.03 4.03 0.00 4.00 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 86 R 8.19 4.00 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 87 K 8.25 3.98 0.00 1.87 2.03 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 88 S 8.25 4.16 0.00 3.87 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 89 V 8.04 3.85 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 1.07 0.00 0.00 0.98 0.00 0.00 90 E 8.31 4.18 0.00 2.21 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 2.56 2.50 0.00 91 A 8.09 4.15 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 92 C 7.94 4.86 0.00 3.11 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 93 R 7.89 4.28 0.00 2.17 2.50 0.00 3.19 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 94 D 7.97 4.90 0.00 2.71 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 95 T 7.90 3.92 4.15 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 1.22 0.00 0.00 96 H 8.30 4.40 0.00 3.50 3.62 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.31 4.03 0.00 1.84 1.85 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.08 7.81 98 Q 7.64 4.05 0.00 1.12 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 99 F 7.41 5.01 0.00 2.98 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 0.00 100 K 8.84 4.39 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 101 E 7.94 4.44 0.00 2.04 1.83 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 2.37 2.32 0.00 102 S 8.53 4.40 0.00 4.15 4.18 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 0.00 103 C 8.47 4.31 0.00 3.28 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 0.00 104 E 8.47 3.73 0.00 2.12 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 1.86 0.00 105 R 8.28 3.92 0.00 2.09 2.17 0.00 3.46 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 106 V 7.62 3.46 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 1.18 0.00 0.00 1.03 0.00 0.00 107 Y 7.91 3.88 0.00 3.02 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 0.00 108 Q 7.90 3.55 0.00 1.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 109 T 7.32 3.26 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 -0.06 0.00 0.00 110 A 7.36 3.27 0.36 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 0.00 111 K 6.90 2.48 0.00 0.95 1.38 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.21 7.81 112 C 7.46 3.87 0.00 2.82 2.82 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 0.00 113 F 7.54 4.18 0.00 2.68 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 0.00 114 S 6.71 3.19 0.00 4.09 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 0.00 115 E 7.78 4.03 0.00 1.79 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 2.24 0.00 116 N 7.94 4.58 0.00 2.63 2.76 0.00 0.00 7.15 7.49 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 0.00 117 A 7.04 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 0.00 118 D 8.80 4.76 0.00 2.80 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 0.00 119 G 7.39 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 0.00 120 Q 8.78 4.18 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 121 F 8.85 5.12 0.00 3.06 3.05 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 0.00 122 M 7.73 5.37 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 123 W 8.79 4.69 0.00 3.83 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 0.00 124 P 0.00 4.28 0.00 1.71 1.88 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.67 0.00