NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3665 8.3349 115.3992 58.4019 64.9764 173.7186 2 H 4.3279 7.7263 118.6205 54.8812 29.2232 173.2952 3 G 4.1458 8.9173 115.7770 45.6711 0.0000 173.0786 4 S 4.1953 7.5791 113.6538 58.2235 62.4302 172.9427 5 H 5.0403 8.2368 122.0280 53.7053 32.5194 173.4743 6 E 4.6556 8.4823 120.2922 55.4991 31.2877 175.7519 7 T 4.4413 8.7025 110.8741 60.7754 71.2690 175.5376 8 D 4.4178 8.5589 121.0804 57.7573 40.7904 178.8469 9 E 4.0476 8.3069 118.3197 59.7447 29.4352 179.2404 10 E 3.9941 8.3866 118.3508 59.2640 29.3727 179.1693 11 F 4.3977 8.4535 122.2214 60.9549 39.4494 176.8816 12 D 4.5159 8.7897 118.5678 57.3121 40.6588 178.6065 13 A 3.9865 8.3024 121.2810 55.4057 18.6177 179.3630 14 R 3.7444 8.1624 117.4042 59.5854 29.7910 178.4227 15 W 4.1503 7.6478 118.2707 59.1424 29.1920 178.8073 16 V 3.8352 8.2092 118.4294 66.5043 30.7725 178.2737 17 T 3.9136 8.3468 114.6458 66.5673 68.4097 175.7526 18 Y 4.0139 7.7329 121.0742 60.8386 38.6619 178.2549 19 F 4.5222 8.4874 116.5764 59.6077 39.1562 176.4566 20 N 4.8546 7.6903 114.6945 52.1949 39.1371 174.6637 21 K 3.7398 7.3506 123.3225 55.9840 32.4630 175.0498 22 P 4.2791 0.0000 0.0000 65.7705 31.0697 176.6252 23 D 4.7932 7.7805 116.1895 52.8446 39.8469 176.0327 24 I 3.9677 7.4179 119.9248 61.7436 38.6147 175.3587 25 D 4.9680 8.5455 126.3463 51.4828 42.9755 177.2632 26 A 4.0826 8.4768 120.2787 54.9026 18.1471 179.3533 27 W 4.1236 8.3157 126.4351 61.0325 30.8678 178.0188 28 E 4.2917 9.1102 118.2785 59.0354 28.8811 179.2921 29 L 4.2417 7.9904 120.7210 58.4049 42.2791 179.1996 30 R 3.9034 8.3080 118.3521 59.0683 29.8845 178.7453 31 K 3.6175 8.2186 119.8909 59.3364 32.0518 178.5237 32 G 3.9151 8.3994 105.7497 48.4679 0.0000 175.2193 33 M 4.0336 8.2503 121.2446 58.0683 31.8932 178.7139 34 N 4.2586 8.2774 115.2504 56.3343 38.8848 177.3274 35 T 3.9073 7.9644 117.4602 66.2134 68.3854 176.7779 36 L 3.3177 7.6595 122.4184 57.7940 41.6705 178.8614 37 V 3.7463 7.3734 116.8023 64.4965 31.5777 176.5628 38 G 3.7505 7.4849 105.6656 46.2056 0.0000 173.4725 39 Y 4.7787 7.0231 117.2704 57.2853 39.2298 175.8624 40 D 4.6524 8.1770 122.4992 50.7617 39.6800 175.1462 41 L 4.4665 7.0477 120.8347 54.9573 42.4632 174.5222 42 V 4.0359 8.3171 120.5001 61.0517 32.3493 174.2487 43 P 4.4650 0.0000 0.0000 62.4498 31.9890 176.1059 44 E 4.2369 8.7486 120.7190 56.0198 30.3516 176.5238 45 P 4.2370 0.0000 0.0000 65.5900 30.9934 179.2148 46 K 4.2717 8.1159 117.0253 59.7086 32.4596 179.1101 47 I 4.0028 7.9796 121.4674 64.2197 37.2951 178.2453 48 I 3.6527 7.6070 120.0592 64.0328 36.8136 177.7426 49 D 4.1846 8.6385 119.4924 57.1560 41.0716 177.6910 50 A 3.9991 7.7774 120.5060 55.6275 18.5122 179.5650 51 A 3.5795 7.6214 118.2914 54.9306 18.0373 179.8799 52 L 3.9019 7.5132 116.9305 57.7751 41.8263 179.8004 53 R 4.0175 8.2679 117.9512 59.3562 30.1858 178.5974 54 A 4.0025 8.2104 120.7295 55.7444 18.1244 179.4315 55 C 4.0583 7.9786 114.4582 62.9460 28.1608 176.0323 56 R 3.9143 8.1631 120.4942 59.8681 29.4197 178.5285 57 R 3.8724 8.0550 115.5231 58.9608 30.0703 177.8247 58 L 4.4379 7.7318 115.9086 53.1585 42.9638 176.6572 59 N 4.1174 8.4299 116.0741 54.7621 36.7123 175.7587 60 D 4.7627 8.3635 117.4295 51.8357 42.7888 175.6811 61 F 4.3054 8.8547 127.9320 60.9611 39.6228 176.1871 62 A 3.7915 8.1800 119.9720 55.6125 18.0127 179.6802 63 S 3.9797 8.2442 112.8630 61.4541 62.5001 176.7568 64 A 3.8500 7.3224 122.3356 55.0446 18.1861 179.9370 65 V 3.3654 7.2053 116.5946 66.1285 31.6527 178.2439 66 R 4.4626 7.9930 120.0913 58.9724 29.9511 178.4548 67 I 3.6572 7.9753 120.0083 64.3576 36.5864 178.3995 68 L 4.1339 7.5206 118.3729 57.4568 41.4925 179.4480 69 E 3.9273 7.9745 118.9905 59.2929 29.4136 179.6484 70 V 3.5726 7.7648 119.2501 64.6483 31.1484 178.5036 71 V 3.5314 7.3938 117.6125 65.5552 31.7334 177.5265 72 K 3.7186 7.4232 118.0534 59.4374 31.8371 177.9751 73 D 4.2199 7.9311 118.1156 57.5273 40.8913 178.3897 74 K 3.8382 8.2479 117.5882 59.4735 32.2708 178.7776 75 A 4.1738 8.1050 120.4360 51.9390 18.3949 178.9449 76 G 3.6666 8.4963 106.0302 46.1313 0.0000 175.0803 77 P 4.3295 0.0000 0.0000 64.5996 31.7066 176.7832 78 H 4.7864 7.9829 118.9735 54.0214 26.8616 175.7838 79 K 4.0734 8.2224 121.8376 59.2346 32.2584 178.1387 80 E 4.2655 8.1158 119.6762 58.8143 29.6423 178.3162 81 I 3.8058 7.6647 119.6252 64.7628 37.1987 177.2187 82 Y 4.4360 8.2338 119.4544 60.8500 38.4351 176.2591 83 P 4.0072 0.0000 0.0000 65.8143 31.4482 177.9568 84 Y 4.0401 7.7833 117.1580 60.5969 38.6929 178.1731 85 V 3.3373 7.9741 119.2306 66.2203 31.4605 178.0916 86 I 3.5175 7.7997 118.2425 64.0348 37.0083 178.0871 87 Q 3.9680 7.9243 120.6620 59.2746 28.8312 178.0648 88 E 3.9436 7.6742 117.2200 58.0076 29.6426 178.1080 89 L 4.4150 7.2820 117.9111 54.4200 42.1556 178.1422 90 R 3.8584 7.7908 119.8077 59.1076 30.0129 176.3659 91 P 4.2145 0.0000 0.0000 66.4420 31.2816 178.7508 92 T 3.9108 7.7954 113.4894 66.4470 68.3774 176.7030 93 L 3.9736 8.1985 121.3064 57.8005 41.7334 179.2396 94 N 4.2845 8.3647 116.5085 56.2913 38.3254 176.7111 95 E 3.9069 8.1809 119.5146 59.6259 29.8627 178.6208 96 L 4.3055 8.0793 115.9290 54.5553 42.0873 177.0547 97 G 3.8282 7.7129 106.4043 46.5615 0.0000 173.8118 98 I 4.4316 7.8989 121.0447 60.2476 37.8602 176.2914 99 S 4.7881 8.9190 122.0790 57.8055 64.1790 174.9013 100 T 4.2423 8.5684 114.9394 60.8659 70.7387 174.1624 101 P 4.2920 0.0000 0.0000 65.8811 31.3248 178.9386 102 E 4.1782 8.1770 117.0377 59.3485 29.2862 178.8837 103 E 4.0143 7.9237 117.6779 59.4419 29.7158 178.9851 104 L 4.3096 7.9194 116.2439 55.1351 42.1102 178.0521 105 G 3.9242 8.0375 107.7286 46.0298 0.0000 175.0194 106 L 4.2277 8.1631 118.4255 55.5679 41.6781 177.2021 107 D 4.7270 7.9504 117.9602 52.8063 39.7598 175.9382 108 K 4.5796 7.3843 118.3896 55.2311 34.8946 176.6025 109 V 3.8129 8.4055 114.8901 61.6650 31.5662 175.9590 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 4.37 0.00 3.83 3.97 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 2 H 7.73 4.33 0.00 3.27 3.28 0.00 5.75 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 3 G 8.92 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 0.00 0.00 0.00 0.00 4 S 7.58 4.20 0.00 3.95 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 5 H 8.24 5.04 0.00 3.11 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.48 4.66 0.00 2.30 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 2.42 2.47 0.00 7 T 8.70 4.44 4.33 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 1.30 0.00 0.00 8 D 8.56 4.42 0.00 2.75 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 9 E 8.31 4.05 0.00 2.10 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 2.44 2.53 0.00 10 E 8.39 3.99 0.00 2.24 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 2.36 2.36 0.00 11 F 8.45 4.40 0.00 3.18 3.37 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 0.00 0.00 0.00 0.00 12 D 8.79 4.52 0.00 3.02 2.84 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 0.00 0.00 0.00 13 A 8.30 3.99 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 R 8.16 3.74 0.00 1.80 1.86 0.00 2.83 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.37 0.00 15 W 7.65 4.15 0.00 3.42 3.27 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 16 V 8.21 3.84 2.30 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 1.12 0.00 0.00 1.21 0.00 0.00 17 T 8.35 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 18 Y 7.73 4.01 0.00 2.80 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 19 F 8.49 4.52 0.00 3.26 3.06 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 20 N 7.69 4.85 0.00 2.78 2.89 0.00 0.00 6.88 8.20 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 21 K 7.35 3.74 0.00 1.60 1.56 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 22 P 0.00 4.28 0.00 2.21 2.18 0.00 3.78 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 1.98 1.96 0.00 23 D 7.78 4.79 0.00 2.79 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 24 I 7.42 3.97 1.90 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 1.38 0.91 1.01 0.00 0.00 25 D 8.55 4.97 0.00 3.00 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 26 A 8.48 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.32 4.12 0.00 3.41 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 28 E 9.11 4.29 0.00 2.26 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 2.77 2.88 0.00 29 L 7.99 4.24 0.00 2.01 1.89 0.95 1.18 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 30 R 8.31 3.90 0.00 2.03 1.82 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 31 K 8.22 3.62 0.00 0.84 1.75 0.00 1.26 0.00 0.00 0.99 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.36 7.81 32 G 8.40 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 33 M 8.25 4.03 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 34 N 8.28 4.26 0.00 2.62 2.79 0.00 0.00 7.16 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 35 T 7.96 3.91 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 1.12 0.00 0.00 36 L 7.66 3.32 0.00 1.28 1.44 -0.33 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.37 3.75 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 0.78 0.00 0.00 0.84 0.00 0.00 38 G 7.48 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 0.00 0.00 0.00 39 Y 7.02 4.78 0.00 3.09 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 40 D 8.18 4.65 0.00 2.61 2.55 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 41 L 7.05 4.47 0.00 1.77 1.58 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.32 4.04 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 0.89 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.46 0.00 2.07 1.97 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 44 E 8.75 4.24 0.00 2.11 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 2.52 2.64 0.00 45 P 0.00 4.24 0.00 2.11 1.99 0.00 3.68 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 2.06 2.14 0.00 46 K 8.12 4.27 0.00 2.03 2.12 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.62 7.81 47 I 7.98 4.00 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.03 1.08 0.00 0.00 48 I 7.61 3.65 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 0.85 0.00 0.00 49 D 8.64 4.18 0.00 2.79 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 50 A 7.78 4.00 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 51 A 7.62 3.58 0.26 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 52 L 7.51 3.90 0.00 1.81 1.70 0.87 0.87 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 53 R 8.27 4.02 0.00 1.98 1.98 0.00 3.39 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 54 A 8.21 4.00 1.52 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 55 C 7.98 4.06 0.00 3.26 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 56 R 8.16 3.91 0.00 1.92 2.23 0.00 3.19 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 1.65 1.76 0.00 57 R 8.05 3.87 0.00 2.04 2.02 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 58 L 7.73 4.44 0.00 1.77 1.72 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.43 4.12 0.00 2.78 2.83 0.00 0.00 6.58 8.23 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 60 D 8.36 4.76 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.85 4.31 0.00 3.16 3.10 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 62 A 8.18 3.79 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 63 S 8.24 3.98 0.00 3.89 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 64 A 7.32 3.85 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 65 V 7.21 3.37 1.89 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 0.87 0.00 0.00 0.23 0.00 0.00 66 R 7.99 4.46 0.00 1.82 1.83 0.00 3.15 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 67 I 7.98 3.66 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.79 0.00 0.00 68 L 7.52 4.13 0.00 1.90 1.84 0.90 0.88 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 69 E 7.97 3.93 0.00 2.23 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 2.28 2.44 0.00 70 V 7.76 3.57 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 0.89 0.00 0.00 0.86 0.00 0.00 71 V 7.39 3.53 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 0.94 0.00 0.00 1.01 0.00 0.00 72 K 7.42 3.72 0.00 0.79 1.57 0.00 0.69 0.00 0.00 1.16 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 0.76 7.81 73 D 7.93 4.22 0.00 2.84 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 74 K 8.25 3.84 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.58 7.81 75 A 8.10 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.50 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 77 P 0.00 4.33 0.00 2.06 2.10 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 1.54 1.83 0.00 78 H 7.98 4.79 0.00 3.36 3.52 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.22 4.07 0.00 1.92 1.99 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.76 7.81 80 E 8.12 4.27 0.00 2.09 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 2.38 2.48 0.00 81 I 7.66 3.81 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 1.02 0.00 0.00 82 Y 8.23 4.44 0.00 2.86 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 83 P 0.00 4.01 0.00 2.25 2.11 0.00 3.93 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 2.31 2.27 0.00 84 Y 7.78 4.04 0.00 3.10 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 85 V 7.97 3.34 2.25 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 0.96 0.00 0.00 1.12 0.00 0.00 86 I 7.80 3.52 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.03 0.71 0.00 0.00 87 Q 7.92 3.97 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 88 E 7.67 3.94 0.00 1.69 1.80 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 1.61 1.68 0.00 89 L 7.28 4.42 0.00 1.69 1.61 0.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.79 3.86 0.00 1.91 1.97 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 91 P 0.00 4.21 0.00 2.12 2.10 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 92 T 7.80 3.91 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 1.20 0.00 0.00 93 L 8.20 3.97 0.00 1.78 1.85 0.85 0.89 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 94 N 8.36 4.28 0.00 2.89 2.86 0.00 0.00 6.68 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 95 E 8.18 3.91 0.00 1.93 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 2.33 2.37 0.00 96 L 8.08 4.31 0.00 1.69 1.74 0.93 1.04 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 97 G 7.71 3.83 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 0.00 0.00 0.00 98 I 7.90 4.43 1.91 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 1.42 0.68 0.89 0.00 0.00 99 S 8.92 4.79 0.00 4.15 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 0.00 100 T 8.57 4.24 4.43 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 1.23 0.00 0.00 101 P 0.00 4.29 0.00 2.23 2.15 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 102 E 8.18 4.18 0.00 2.11 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 2.50 2.69 0.00 103 E 7.92 4.01 0.00 2.26 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 2.37 2.37 0.00 104 L 7.92 4.31 0.00 1.68 1.78 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.04 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 0.00 106 L 8.16 4.23 0.00 1.78 1.72 0.91 1.12 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 0.00 107 D 7.95 4.73 0.00 2.77 2.77 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 0.00 108 K 7.38 4.58 0.00 1.96 1.79 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.36 7.81 109 V 8.41 3.81 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 0.66 0.00 0.00 0.92 0.00 0.00