NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4996 8.0385 120.5961 54.4732 43.8049 176.2249 3 A 4.5075 8.9459 126.2267 50.6339 19.0793 173.6172 4 E 4.3801 8.8179 121.7294 58.1456 30.9870 176.0328 5 G 4.0530 9.6111 114.4186 45.2473 0.0000 173.9485 6 T 4.1644 7.9088 117.6663 64.1463 69.6777 173.4761 7 R 4.8692 9.6984 126.6451 55.3768 31.9642 175.4033 8 I 4.8065 9.1507 125.9634 59.4242 39.4414 174.5575 9 F 5.1107 8.4697 128.7784 57.7407 40.9028 173.7619 10 D 5.2906 9.1470 127.1275 51.1990 41.4138 175.1779 11 P 3.6150 0.0000 0.0000 64.8074 31.7797 178.2435 12 V 3.6647 7.9970 119.3518 65.7119 31.5077 176.9898 13 T 4.1168 8.0281 107.4468 61.7603 69.4174 175.7608 14 G 4.1320 8.4445 109.8631 45.3488 0.0000 173.4213 15 T 4.3764 7.6912 116.7125 63.4124 70.0706 173.7029 16 T 5.1546 8.4548 121.2387 62.3429 70.5084 173.5426 17 H 5.0681 9.4537 123.3518 53.9376 32.7312 173.5377 18 R 4.6474 8.3799 120.0809 55.2701 31.2530 177.4404 19 I 3.6540 8.6972 123.5371 64.3613 37.8014 177.9406 20 E 2.6533 7.6609 117.7233 59.0150 29.3128 178.7900 21 D 4.2949 7.9246 119.8913 56.9337 40.8351 178.8385 22 V 3.5620 7.5174 118.4517 65.8974 31.7641 178.2059 23 V 3.7561 7.9204 118.0583 66.2243 31.2610 177.7843 24 D 4.4980 8.3438 117.9543 56.4915 40.7027 178.0232 25 G 3.7482 7.6836 103.0482 43.0663 0.0000 173.4070 26 R 2.0000 6.9898 118.4173 56.0497 28.0499 177.1506 27 K 4.0742 7.6653 116.4912 55.7112 33.2943 177.1019 28 P 5.0924 0.0000 0.0000 62.3897 29.5419 175.5503 29 I 4.0863 7.6433 114.4204 62.0952 39.9522 176.0008 30 H 5.2200 9.3597 119.7003 54.5858 31.5220 174.5268 31 V 4.9452 8.5130 112.9198 58.4022 36.8648 174.7232 32 V 4.2593 8.3136 121.3211 62.2512 32.5706 174.3229 33 A 5.1397 9.1670 130.0959 50.0541 22.0189 174.4455 34 A 5.0605 8.8899 123.4843 50.7150 20.6506 177.2835 35 A 4.4172 9.0440 124.7956 50.2865 20.7689 178.1942 36 K 3.7929 8.8570 119.9545 59.8017 32.0533 177.0691 37 D 4.5576 8.0652 114.8552 53.4579 39.6479 177.0012 38 G 3.9573 8.2862 109.4324 45.3240 0.0000 174.1377 39 T 4.2294 8.2367 110.5028 61.5723 70.4385 173.5316 40 L 5.3190 8.2946 122.2628 53.7166 44.6332 175.1533 41 H 5.1943 9.3729 118.4344 54.0334 33.8331 172.2849 42 A 4.8217 8.5884 122.9935 51.7448 19.2315 177.2073 43 R 4.8252 8.7271 121.3018 53.6778 34.7408 173.2232 44 P 4.7399 0.0000 0.0000 62.3066 33.2328 175.2773 45 V 4.0664 8.2847 122.6996 63.0420 31.5800 176.0720 46 V 4.1177 8.5401 119.6327 61.0963 33.8214 175.8549 47 S 4.0793 6.7716 115.3371 56.2155 67.5285 172.8653 48 W 5.1712 8.1187 121.3089 54.8953 32.6171 174.7432 49 F 4.9003 9.3088 122.2346 55.7946 42.4042 173.4186 50 D 5.0100 9.0687 123.8518 53.1475 41.3801 175.5282 51 Q 4.2080 8.5724 124.9439 55.5130 29.5655 177.5515 52 G 3.7493 7.9914 109.9520 44.5910 0.0000 172.3815 53 T 4.6500 8.0900 115.1900 63.3867 69.2522 174.8713 54 R 4.7470 8.7825 123.9084 54.5812 35.4691 173.6434 55 D 5.0979 8.5743 119.8342 54.3510 42.2065 176.3611 56 V 4.8550 9.1189 116.3651 59.5791 36.1753 174.7805 57 I 5.0182 9.1172 117.2463 59.2816 41.0387 174.2887 58 G 3.3017 8.3029 108.6146 43.8713 0.0000 172.3013 59 L 4.9206 8.1848 122.6815 52.5147 45.1075 175.6268 60 R 4.4812 8.7782 126.4384 55.6765 31.1799 175.6465 61 I 4.5714 8.8517 127.5116 59.6335 39.4794 175.1739 62 A 4.0845 8.3628 127.0353 53.8265 18.0367 177.4642 63 G 3.9305 9.3100 110.2697 44.9609 0.0000 174.6405 64 G 3.9871 8.1957 106.3668 45.1955 0.0000 174.1711 65 A 4.2470 7.9818 121.6232 52.0051 19.9237 176.5130 66 I 4.7355 7.9487 119.5030 59.3652 40.1246 175.0400 67 L 4.3771 8.6953 130.7834 53.8233 43.4326 175.2283 68 W 5.2374 8.8594 126.6364 55.2535 31.0621 175.0510 69 A 5.2011 8.9830 126.0195 50.1761 22.9548 175.2019 70 T 4.6708 8.8188 109.3108 60.4934 69.7421 173.9264 71 P 4.3161 0.0000 0.0000 65.4729 31.3103 177.0914 72 D 4.6480 7.9329 116.2414 53.3677 40.1818 175.6219 73 H 4.3211 8.2800 122.3580 56.2270 31.1026 174.3488 74 K 4.8806 8.4718 125.1847 56.2225 33.6020 175.8689 75 V 4.9868 9.2253 124.6904 60.9188 34.8757 174.1249 76 L 4.0583 8.7921 129.9586 54.7268 43.2315 175.9207 77 T 5.1154 8.3231 115.3514 59.3466 71.9758 174.3426 78 E 3.7638 8.1611 118.3997 58.0862 29.3935 176.9828 79 Y 4.6075 7.4630 116.3813 57.7609 38.8868 175.6646 80 G 3.7036 7.8089 107.2286 43.5067 0.0000 172.4790 81 W 4.9966 8.3294 119.0260 56.8217 30.0005 176.4068 82 R 4.8913 9.1542 122.0628 54.0676 34.3860 174.5050 83 A 4.5378 8.7199 124.3940 51.8881 19.2468 178.1577 84 A 3.9508 9.5341 126.6176 55.4571 18.5531 179.9973 85 G 3.8112 8.3725 103.0587 47.5281 0.0000 173.8855 86 E 4.4459 8.1325 118.4604 56.3590 30.4121 176.4704 87 L 4.4314 7.6206 119.4659 54.4724 42.5441 176.2063 88 R 4.7067 9.2883 120.1589 53.4738 34.0108 174.8811 89 K 4.1423 8.4611 120.2024 58.4798 32.3413 176.2468 90 G 4.0789 9.0007 114.8071 45.3916 0.0000 173.7490 91 D 4.6042 8.0820 119.4726 54.5123 41.9819 175.8260 92 R 5.0615 8.4650 120.4060 55.1354 31.9937 176.1037 93 V 4.8198 8.9167 114.9950 59.1180 36.4063 174.8159 94 A 3.9444 8.7808 125.3842 52.1346 19.6571 176.6122 95 Q 4.8578 9.0647 124.0356 52.2873 31.5511 172.2379 96 P 4.6854 0.0000 0.0000 62.8401 32.1849 176.2615 97 R 4.7180 8.9054 121.7028 54.6476 34.7270 174.8015 98 R 4.6638 8.5328 120.9913 54.8598 31.7291 176.2366 99 F 4.2046 8.9773 123.5803 59.2778 39.4975 174.6901 100 D 4.5461 8.1744 125.0665 52.2945 40.2929 177.0128 101 G 3.4693 6.2405 107.5376 45.6272 0.0000 174.5285 102 F 4.0243 8.2149 117.7255 59.5157 39.3864 175.6598 *399 M 4.1172 7.6939 118.6481 55.0080 32.8478 174.8350 400 L 4.3059 8.2532 124.8644 54.1319 42.6372 177.3448 401 A 4.1419 8.4269 123.4728 54.8260 18.7609 178.3892 402 E 4.2307 8.1514 114.4676 57.3298 30.2109 176.4583 403 E 4.6708 9.0699 124.2211 54.0270 32.7490 174.6560 404 L 4.2807 8.4563 128.2443 55.1987 42.7337 175.7795 405 R 4.6827 8.0885 123.4635 54.4587 34.4656 173.9529 406 Y 5.1740 8.3808 116.3227 56.5695 41.2296 175.7705 407 S 4.8202 9.0665 117.9446 56.8612 67.5725 174.0081 408 V 4.5011 8.2512 115.4994 60.8695 33.5764 175.1921 409 I 4.2266 8.4280 124.4782 61.3193 37.4778 177.1659 410 R 4.1537 9.1336 126.8954 58.2480 31.0676 176.5804 411 E 4.6616 7.8059 117.1391 55.0352 33.1621 173.9632 412 V 4.6322 8.3661 125.8403 61.2741 33.3623 174.6761 413 L 4.7302 8.8011 128.4429 52.4656 43.8124 174.5939 414 P 4.6476 0.0000 0.0000 62.8062 32.0597 176.2426 415 T 4.5567 8.5310 117.4458 62.9403 68.1205 173.0503 416 R 4.7429 8.9563 122.3633 55.0955 33.5504 173.7235 417 R 4.8862 8.3947 118.6996 55.6105 31.3188 175.9134 418 A 4.6125 8.4675 123.3016 50.5855 23.3016 175.8225 419 R 4.4545 8.6414 119.4861 56.4994 31.5810 175.9324 420 T 5.2006 8.4837 112.4328 60.1910 72.5932 172.4119 421 F 5.3266 9.3348 120.3343 56.7441 43.9399 173.0463 422 D 5.0113 9.3348 118.0114 53.3906 44.9078 173.7915 423 L 5.4154 8.5096 121.3390 53.1438 46.1785 175.4462 424 E 4.6253 8.7653 121.5360 54.6748 31.8574 174.9780 425 V 4.5813 8.0334 124.2209 60.5909 33.7644 174.2652 426 E 3.6195 8.5786 129.2653 58.2908 29.5220 175.5276 427 E 4.0084 9.0231 131.6093 57.6100 28.8194 175.4463 428 L 4.1775 7.5393 116.7216 55.5061 42.1914 177.3548 429 H 4.1612 7.7431 114.1502 56.4733 26.7152 174.0856 430 T 5.0901 7.1997 107.8963 60.6237 72.3051 172.3553 431 L 5.1802 8.5176 119.7862 56.0794 44.7775 173.5757 432 V 4.8087 8.3125 120.0293 61.6560 33.2843 174.5402 433 A 4.9894 8.8421 130.6696 51.5613 21.3484 175.5730 434 E 3.9020 10.2843 122.8296 57.4255 27.7869 176.2252 435 G 3.9138 8.3643 104.9703 45.5046 0.0000 173.5376 436 V 4.6653 7.6092 120.3647 60.7563 34.4464 174.8610 437 V 4.3195 8.6803 128.0608 63.0458 32.5106 175.2992 438 V 5.1267 9.0955 121.1606 59.4155 35.8536 175.4601 439 H 4.0230 9.2507 121.5284 56.4840 29.2325 174.9904 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 L 8.04 4.50 0.00 1.76 1.76 0.99 0.38 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 3 A 8.95 4.51 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.38 0.00 2.32 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 2.37 2.63 0.00 5 G 9.61 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 6 T 7.91 4.16 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 1.30 0.00 0.00 7 R 9.70 4.87 0.00 1.88 1.91 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 8 I 9.15 4.81 1.95 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 1.18 0.98 1.04 0.00 0.00 9 F 8.47 5.11 0.00 3.11 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 D 9.15 5.29 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.62 0.00 2.09 1.93 0.00 3.64 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 12 V 8.00 3.66 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 0.71 0.00 0.00 0.70 0.00 0.00 13 T 8.03 4.12 4.25 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 1.22 0.00 0.00 14 G 8.44 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 0.00 0.00 0.00 15 T 7.69 4.38 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 1.00 0.00 0.00 16 T 8.45 5.15 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 1.28 0.00 0.00 17 H 9.45 5.07 0.00 3.08 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.38 4.65 0.00 2.03 2.12 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 19 I 8.70 3.65 1.91 0.00 0.00 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 1.59 1.40 0.93 0.00 0.00 20 E 7.66 2.65 0.00 1.69 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 2.20 2.25 0.00 21 D 7.92 4.29 0.00 2.85 2.72 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 22 V 7.52 3.56 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 1.28 0.00 0.00 0.93 0.00 0.00 23 V 7.92 3.76 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 1.26 0.00 0.00 1.21 0.00 0.00 24 D 8.34 4.50 0.00 2.61 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 25 G 7.68 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 26 R 6.99 2.00 0.00 1.16 0.66 0.00 2.85 0.00 0.00 2.86 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.13 0.00 27 K 7.67 4.07 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.26 7.81 28 P 0.00 5.09 0.00 2.16 2.32 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 29 I 7.64 4.09 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.72 0.00 0.00 30 H 9.36 5.22 0.00 3.30 3.20 0.00 5.75 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 31 V 8.51 4.95 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 0.96 0.00 0.00 0.99 0.00 0.00 32 V 8.31 4.26 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 1.02 0.00 0.00 1.07 0.00 0.00 33 A 9.17 5.14 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 34 A 8.89 5.06 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 35 A 9.04 4.42 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 36 K 8.86 3.79 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 D 8.07 4.56 0.00 2.82 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 38 G 8.29 3.96 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 0.00 0.00 0.00 39 T 8.24 4.23 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 1.30 0.00 0.00 40 L 8.29 5.32 0.00 1.58 1.60 0.95 1.03 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 41 H 9.37 5.19 0.00 3.04 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.59 4.82 1.19 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 0.00 0.00 43 R 8.73 4.83 0.00 1.72 1.74 0.00 3.39 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 44 P 0.00 4.74 0.00 2.00 1.92 0.00 3.66 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 1.99 1.91 0.00 45 V 8.28 4.07 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 0.19 0.00 0.00 0.93 0.00 0.00 46 V 8.54 4.12 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 0.67 0.00 0.00 0.79 0.00 0.00 47 S 6.77 4.08 0.00 3.64 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 48 W 8.12 5.17 0.00 3.11 2.91 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 0.00 0.00 0.00 49 F 9.31 4.90 0.00 3.09 2.98 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 50 D 9.07 5.01 0.00 2.86 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 51 Q 8.57 4.21 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.46 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 52 G 7.99 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 53 T 8.09 4.65 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 54 R 8.78 4.75 0.00 1.70 1.77 0.00 3.10 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 1.51 1.72 0.00 55 D 8.57 5.10 0.00 2.63 2.62 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 56 V 9.12 4.86 2.40 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 0.86 0.00 0.00 1.04 0.00 0.00 57 I 9.12 5.02 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.99 0.00 0.00 58 G 8.30 3.30 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 0.00 0.00 0.00 0.00 59 L 8.18 4.92 0.00 1.44 1.48 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.78 4.48 0.00 1.76 1.72 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 61 I 8.85 4.57 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 1.00 0.00 0.00 62 A 8.36 4.08 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 63 G 9.31 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 0.00 0.00 0.00 64 G 8.20 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 0.00 0.00 0.00 65 A 7.98 4.25 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 66 I 7.95 4.74 1.89 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 1.00 0.85 0.28 0.00 0.00 67 L 8.70 4.38 0.00 1.73 1.47 0.96 1.21 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 68 W 8.86 5.24 0.00 3.37 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 69 A 8.98 5.20 1.23 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 0.00 0.00 70 T 8.82 4.67 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 1.31 0.00 0.00 71 P 0.00 4.32 0.00 2.27 2.40 0.00 3.81 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 2.10 2.00 0.00 72 D 7.93 4.65 0.00 2.79 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 73 H 8.28 4.32 0.00 3.43 3.28 0.00 5.77 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 74 K 8.47 4.88 0.00 1.56 1.90 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.34 1.51 7.81 75 V 9.23 4.99 2.20 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 1.02 0.00 0.00 1.06 0.00 0.00 76 L 8.79 4.06 0.00 1.09 1.41 -0.12 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.32 5.12 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 1.29 0.00 0.00 78 E 8.16 3.76 0.00 1.31 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 1.47 1.47 0.00 79 Y 7.46 4.61 0.00 3.01 2.91 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 0.00 0.00 0.00 80 G 7.81 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 81 W 8.33 5.00 0.00 3.24 3.17 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 0.00 82 R 9.15 4.89 0.00 1.81 1.82 0.00 3.25 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 83 A 8.72 4.54 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 84 A 9.53 3.95 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 85 G 8.37 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 0.00 0.00 0.00 86 E 8.13 4.45 0.00 2.11 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 2.28 0.00 87 L 7.62 4.43 0.00 1.77 1.61 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.29 4.71 0.00 1.73 1.77 0.00 3.30 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 89 K 8.46 4.14 0.00 1.69 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.67 7.81 90 G 9.00 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 91 D 8.08 4.60 0.00 2.75 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 92 R 8.46 5.06 0.00 1.72 1.87 0.00 3.13 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 93 V 8.92 4.82 2.11 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 0.75 0.00 0.00 1.00 0.00 0.00 94 A 8.78 3.94 1.05 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 95 Q 9.06 4.86 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 96 P 0.00 4.69 0.00 1.99 1.97 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 97 R 8.91 4.72 0.00 1.69 1.72 0.00 3.08 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 98 R 8.53 4.66 0.00 1.72 1.92 0.00 3.46 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 99 F 8.98 4.20 0.00 2.92 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 0.00 100 D 8.17 4.55 0.00 2.89 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 0.00 101 G 6.24 3.47 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 0.00 102 F 8.21 4.02 0.00 3.07 3.08 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 *399 M 7.69 4.12 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 400 L 8.25 4.31 0.00 1.75 1.81 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 401 A 8.43 4.14 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 0.00 402 E 8.15 4.23 0.00 1.88 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 2.43 2.46 0.00 403 E 9.07 4.67 0.00 2.02 1.77 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 2.18 2.21 0.00 404 L 8.46 4.28 0.00 1.72 1.47 0.68 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 405 R 8.09 4.68 0.00 1.91 1.74 0.00 3.26 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 406 Y 8.38 5.17 0.00 2.79 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 0.00 407 S 9.07 4.82 0.00 3.70 3.68 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 0.00 408 V 8.25 4.50 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 0.73 0.00 0.00 0.92 0.00 0.00 409 I 8.43 4.23 2.00 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 1.21 0.85 0.93 0.00 0.00 410 R 9.13 4.15 0.00 1.60 1.95 0.00 3.34 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 411 E 7.81 4.66 0.00 1.97 1.67 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 2.22 2.26 0.00 412 V 8.37 4.63 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 0.84 0.00 0.00 0.95 0.00 0.00 413 L 8.80 4.73 0.00 1.20 1.66 0.98 0.80 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 0.00 414 P 0.00 4.65 0.00 2.03 2.05 0.00 3.81 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 2.09 2.14 0.00 415 T 8.53 4.56 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 1.25 0.00 0.00 416 R 8.96 4.74 0.00 1.78 1.93 0.00 2.37 0.00 0.00 2.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 417 R 8.39 4.89 0.00 1.68 1.87 0.00 3.50 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 418 A 8.47 4.61 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 0.00 0.00 0.00 0.00 0.00 419 R 8.64 4.45 0.00 1.89 1.69 0.00 3.10 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 420 T 8.48 5.20 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 1.24 0.00 0.00 421 F 9.33 5.33 0.00 2.91 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 0.00 422 D 9.33 5.01 0.00 2.86 2.58 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 0.00 423 L 8.51 5.42 0.00 1.53 1.43 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 424 E 8.77 4.63 0.00 1.89 1.77 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 2.58 2.52 0.00 425 V 8.03 4.58 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 0.97 0.00 0.00 0.94 0.00 0.00 426 E 8.58 3.62 0.00 1.93 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 2.28 2.24 0.00 427 E 9.02 4.01 0.00 2.10 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 2.17 2.30 0.00 428 L 7.54 4.18 0.00 1.76 1.89 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 429 H 7.74 4.16 0.00 3.22 3.21 0.00 5.61 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 0.00 430 T 7.20 5.09 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 1.57 0.00 0.00 431 L 8.52 5.18 0.00 1.78 1.78 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 432 V 8.31 4.81 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 1.06 0.00 0.00 1.03 0.00 0.00 433 A 8.84 4.99 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 0.00 434 E 10.28 3.90 0.00 2.08 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 2.32 2.60 0.00 435 G 8.36 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 436 V 7.61 4.67 2.22 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 1.08 0.00 0.00 0.93 0.00 0.00 437 V 8.68 4.32 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 0.98 0.00 0.00 0.91 0.00 0.00 438 V 9.10 5.13 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 0.99 0.00 0.00 1.08 0.00 0.00 439 H 9.25 4.02 0.00 2.44 2.91 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.