NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 Q 4.2744 8.2027 121.7110 56.2204 30.0662 175.1478 544 L 3.9242 7.7272 124.1665 57.3086 42.8190 176.2581 545 L 3.9864 8.0316 118.7246 57.9490 41.8706 178.8738 546 S 4.2345 8.1312 112.6738 61.2511 62.3696 176.2791 547 G 3.5991 7.7168 107.2413 47.4550 0.0000 176.0027 548 I 3.7376 7.5744 121.9236 64.3355 37.3006 178.6398 549 V 3.5851 7.6782 118.9240 66.0560 31.3827 177.8603 550 Q 4.0212 7.9045 119.2359 58.8665 28.7919 177.7917 551 Q 4.0010 7.8886 120.5088 59.0536 29.0160 177.9541 552 Q 3.9834 8.2946 119.2517 58.7231 28.6799 178.2720 553 N 4.2962 7.9838 117.8778 56.6599 39.0218 176.6937 554 N 4.3391 8.1027 117.8419 56.3284 38.6619 177.3621 555 L 3.9780 8.1179 120.4597 57.6265 41.7251 179.2445 556 L 3.9445 8.2083 120.5561 58.3931 42.0483 179.3120 557 R 4.0819 8.1266 117.6545 59.1410 29.9047 178.9599 558 A 3.9846 8.1374 120.6595 55.2005 18.3095 179.7498 559 I 3.6385 7.8626 118.3353 64.3936 37.1257 178.5266 560 E 3.8487 8.2769 119.1794 59.4539 29.3371 179.3562 561 A 3.8981 7.9946 120.7274 55.0582 18.3115 179.4551 562 Q 3.8746 8.2416 118.2768 59.2592 29.0162 178.2305 563 Q 3.9046 8.4025 121.0348 59.3464 29.0957 177.8368 564 H 4.1033 8.1018 117.2194 59.0034 28.8394 177.5282 565 L 3.9200 7.8736 121.9300 57.9617 41.8907 178.6791 566 L 3.9151 8.1471 120.6532 58.1300 41.9399 178.7965 567 Q 3.6010 8.1473 119.8238 58.7752 28.8220 177.7134 568 L 3.5426 7.3514 121.5523 58.3411 41.9752 179.1020 569 T 3.9178 7.9342 109.5856 64.8066 68.5087 176.4573 570 V 3.8557 7.7558 121.0334 65.8296 31.5110 178.1134 571 W 4.6184 8.4789 118.9472 59.6147 28.8810 178.8674 572 G 3.6801 8.5961 106.0384 48.0335 0.0000 175.8985 573 I 3.8490 8.2946 123.2950 63.9495 37.0773 178.7644 574 K 4.0550 8.7168 119.6669 59.4335 31.9561 179.1872 575 Q 3.9328 8.0536 119.5277 59.2785 28.9949 178.4089 576 L 3.9779 7.8971 119.9153 57.5176 41.7282 179.2896 577 Q 3.4105 8.0069 119.5392 58.9122 28.4863 178.1036 578 A 3.9028 8.0088 121.9387 55.0952 18.1211 179.8194 579 R 3.8984 7.6372 116.0970 58.9646 30.2695 178.7550 580 I 3.8621 7.4355 111.9348 63.0907 37.9090 177.7639 581 L 4.1617 7.7252 122.1902 56.4002 42.5857 175.4533 582 A 4.7578 7.3145 121.8666 49.5205 18.7215 174.6254 583 G 4.1780 7.2148 109.0618 44.4619 0.0000 170.1121 584 G 4.1815 8.2327 112.5497 45.3271 0.0000 172.0844 *1626 T 4.2702 7.8380 110.5290 61.8082 69.6564 173.8297 1627 T 4.5486 8.4231 112.3295 61.7105 69.3647 176.4276 1628 W 4.2985 8.3523 123.5020 59.7225 29.0741 177.7294 1629 M 4.2221 8.2917 118.6151 58.6837 31.8363 177.6359 1630 E 4.1502 8.1502 118.2829 58.3250 29.7280 178.9657 1631 W 3.8941 8.1276 128.3539 60.4783 30.9322 177.1969 1632 D 4.3154 8.8043 118.2382 57.3989 40.6341 178.2531 1633 R 3.8320 7.9196 118.6350 59.4808 30.1122 178.1873 1634 E 3.9016 8.1063 119.0891 59.0299 29.4838 178.7494 1635 I 3.4711 7.8442 120.3234 64.4552 37.1442 178.1220 1636 N 4.2825 7.9247 117.0857 56.2513 38.4486 177.2049 1637 N 4.1524 7.9985 117.8504 56.6536 38.5885 177.0411 1638 Y 4.1512 7.6738 117.3131 60.8828 38.0839 178.2225 1639 T 3.7870 8.2374 117.3750 66.5031 68.6097 176.6532 1640 S 4.0200 8.0965 115.1431 61.0910 62.3955 175.9943 1641 L 3.9041 7.7209 122.6863 58.2631 41.8241 178.8370 1642 I 3.7329 7.9789 118.6725 64.2930 37.8479 177.5573 1643 H 4.2794 8.1433 117.1118 59.0184 28.5643 177.9535 1644 S 4.1594 8.0019 116.4724 61.5911 62.5799 176.8214 1645 L 4.0509 8.1501 121.7436 57.5808 41.3639 179.4332 1646 I 3.6730 8.0603 120.1490 64.4774 37.1433 178.0049 1647 E 4.3176 8.0722 121.2895 58.7946 29.4534 178.3268 1648 E 3.9552 8.2760 119.2756 59.5287 29.5618 179.1063 1649 S 4.3784 8.1809 116.6306 61.0809 62.7722 176.5275 1650 Q 4.0144 8.5496 121.2315 59.1168 28.4744 178.8399 1651 N 4.3603 8.2837 117.4531 56.2839 38.5629 177.3169 1652 Q 3.9640 8.2445 121.0739 59.1015 29.1186 178.0375 1653 Q 3.9445 8.4672 121.0441 59.2887 29.0948 178.1917 1654 E 3.9916 8.1825 119.5720 59.1544 29.4824 179.3741 1655 K 3.8899 7.9779 118.4106 59.7010 31.6735 178.8555 1656 N 4.3195 8.2822 116.6113 56.7538 38.0263 177.3803 1657 E 4.0666 8.2941 119.5075 58.8625 29.5503 179.2977 1658 Q 3.9381 7.9468 119.9793 59.2370 29.3699 177.4822 1659 E 3.9552 8.5937 119.9646 59.7143 29.3191 179.3993 1660 L 3.9970 8.0248 120.0454 57.8804 41.9252 178.5912 1661 L 4.1604 7.4252 118.5992 57.1531 42.1589 177.6729 1662 E 4.4211 7.6297 116.2529 55.7790 29.8121 176.4388 1663 G 4.2139 8.0170 108.0789 45.4990 0.0000 176.1488 1664 S 3.3138 8.0523 114.9452 58.2963 63.2012 171.2127 *2541 G 4.0079 8.4669 107.2790 45.6584 0.0000 171.1920 2542 G 3.9749 7.9214 103.6320 46.1037 0.0000 175.3984 2543 Q 4.0805 7.6867 121.0047 56.1157 29.2579 178.2874 2544 L 3.9698 7.8519 121.8523 57.8420 42.2317 178.3272 2545 L 3.9692 7.8498 120.1400 58.2290 41.6421 178.9984 2546 S 4.2742 7.7741 114.0512 61.3509 62.9528 176.6731 2547 G 3.7268 7.9294 110.1225 46.8080 0.0000 175.9302 2548 I 3.7886 7.8972 122.2881 64.2449 37.1324 178.5905 2549 V 3.5965 7.8138 119.2427 65.9179 31.2546 177.8907 2550 Q 3.9478 8.2750 119.4931 59.2596 28.9087 178.0471 2551 Q 3.9466 8.1639 120.5778 59.1622 29.0319 178.1917 2552 Q 4.1212 8.0664 119.3942 58.5343 28.6843 177.9849 2553 N 4.2844 8.1051 118.3260 56.6649 39.0421 176.6160 2554 N 4.2852 8.3699 117.9975 56.4397 38.6711 177.3005 2555 L 3.9885 7.9622 120.2085 57.6989 41.6228 179.3395 2556 L 3.9354 7.9247 120.1379 58.4361 42.0682 179.3742 2557 R 3.9152 8.0541 117.6411 59.1016 29.9178 178.9575 2558 A 4.0759 8.0747 120.7982 54.9540 18.3801 179.7909 2559 I 3.6481 7.9768 118.5520 64.5327 37.2513 178.3914 2560 E 3.9309 8.4824 119.4773 59.4029 29.3229 179.3945 2561 A 4.1107 8.1063 120.6849 55.3654 18.4180 179.7122 2562 Q 3.9426 8.1147 116.6296 59.0773 28.7271 178.8430 2563 Q 3.8759 8.1539 120.6395 59.4126 29.1185 178.1077 2564 H 3.8899 7.7371 116.7722 58.6188 28.5723 177.6937 2565 L 3.9127 7.7309 120.7663 57.7180 41.4355 179.6696 2566 L 4.0075 8.1267 119.2053 58.0387 41.6506 179.6545 2567 Q 4.1283 8.1917 117.8340 58.8079 28.4953 178.9062 2568 L 4.2699 7.9797 120.4661 57.8985 41.5842 179.5005 2569 T 4.3595 8.2528 110.0456 64.7828 68.7909 176.8329 2570 V 3.8696 8.1871 121.1709 65.5853 31.5672 177.6642 2571 W 4.2353 8.4868 128.0815 60.5711 30.5800 177.9021 2572 G 3.3997 8.7263 105.6350 48.0130 0.0000 175.5028 2573 I 3.8306 8.3455 122.6722 64.1541 37.2691 178.7733 2574 K 3.9929 8.2764 119.2244 59.3160 31.9616 179.5380 2575 Q 3.7169 7.6298 118.6343 58.7019 28.5531 178.5712 2576 L 4.0398 7.9000 120.1572 57.5014 41.5406 179.2556 2577 Q 3.4288 8.1730 119.7587 58.9917 28.7046 178.2459 2578 A 3.8160 7.4581 120.2254 54.8214 18.3790 179.0962 2579 R 3.9952 7.2292 115.4431 59.0364 30.3426 178.1757 2580 I 3.9078 7.4174 118.6300 63.9179 37.7200 175.2491 2581 L 4.7823 7.7524 119.4101 52.8590 44.9900 176.4302 *3624 G 4.1618 7.8685 108.6599 45.9070 0.0000 176.5166 3625 H 4.2767 9.2281 126.7011 59.1409 29.0281 176.3622 3626 T 4.0775 7.9591 117.2547 67.0076 68.4619 176.7045 3627 T 4.0585 7.8491 116.1931 65.9394 68.4454 177.1895 3628 W 4.2173 8.3702 120.8933 59.9240 29.1923 178.2872 3629 M 4.2289 8.0280 117.6080 58.3928 31.3583 178.6750 3630 E 4.0236 8.1217 118.9389 58.8042 29.5561 178.9809 3631 W 3.8964 8.3784 128.7006 60.4415 30.7350 177.2844 3632 D 4.3294 8.7663 118.1287 57.5955 40.6693 178.3265 3633 R 3.8586 7.8381 118.4781 59.4185 30.0755 178.3326 3634 E 3.8729 8.0318 118.3368 59.3932 29.4791 179.2366 3635 I 3.4743 7.5993 120.1734 64.5220 37.2092 178.2613 3636 N 4.3381 8.1429 117.1356 56.2776 38.2311 177.3469 3637 N 4.2418 8.0711 117.9404 56.5070 38.6407 177.2051 3638 Y 3.9593 7.9690 118.1142 61.1355 37.9706 178.2956 3639 T 3.8069 7.9729 116.7518 66.7903 68.1007 176.5417 3640 S 4.1205 7.9293 114.5072 61.2205 62.3851 175.9340 3641 L 3.9286 8.0641 123.3011 58.2185 41.7546 179.0370 3642 I 3.7167 8.3574 120.0914 64.5132 36.9745 177.9621 3643 H 4.1513 8.0550 117.2711 59.1373 28.6756 178.0828 3644 S 4.4714 7.8110 114.9367 61.3693 62.8121 176.4470 3645 L 4.0375 7.9921 122.8709 57.5605 41.2377 179.4648 3646 I 3.7429 8.0323 120.2373 64.3241 37.0576 178.1772 3647 E 4.2424 8.5015 121.2021 59.0483 29.4069 179.3937 3648 E 3.9915 8.3055 118.4508 59.4533 29.3816 179.6640 3649 S 4.4205 7.8969 116.5025 61.0263 62.5450 176.7154 3650 Q 3.9815 8.4544 121.1922 59.0553 28.3442 178.5169 3651 N 4.3980 8.3010 117.5565 56.4520 38.5073 177.3158 3652 Q 3.9827 8.0829 120.7084 58.8461 29.0150 177.9529 3653 Q 3.9234 8.3751 121.1102 59.2220 29.1640 177.9638 3654 E 3.9565 8.1689 119.6603 59.2846 29.4922 179.3850 3655 K 3.9649 7.8650 119.7262 59.4978 31.8182 178.6781 3656 N 4.3291 8.3872 116.9824 56.3719 38.2429 177.2471 3657 E 3.9902 8.2779 119.1304 59.4931 29.7626 179.1258 3658 Q 4.1342 8.0999 118.0306 59.0211 28.8435 178.5728 3659 E 3.9335 8.1526 120.2696 59.0890 29.4401 178.3244 3660 L 3.9697 7.8960 119.6667 58.2500 42.1803 178.4219 3661 L 4.2466 7.5346 115.7102 55.8547 41.6438 177.6176 3662 E 4.6192 8.4271 118.0289 54.2850 31.5453 177.8916 3663 G 4.3622 7.8316 106.1632 46.1582 0.0000 174.9887 3664 S 4.4087 7.9154 120.9152 57.0085 65.6796 173.5223 *4543 Q 4.2814 8.5782 122.4375 55.9987 30.5644 176.6902 4544 L 3.9297 7.5983 117.6785 58.2498 42.1293 178.7836 4545 L 3.9540 7.8917 119.9558 58.0787 41.9889 178.8878 4546 S 4.2768 8.0986 114.1131 61.2483 63.1188 176.5515 4547 G 3.6519 8.0114 110.7267 47.0023 0.0000 175.7229 4548 I 3.7153 8.0316 122.4375 64.1729 37.0347 178.7260 4549 V 3.5654 7.6356 118.5027 66.1431 31.3696 177.9820 4550 Q 4.0098 8.2933 117.9855 59.1456 28.0098 178.8242 4551 Q 3.9756 8.2227 120.5347 59.0059 29.0842 177.9837 4552 Q 4.0451 8.3496 119.5324 59.1823 28.7142 178.8177 4553 N 4.3791 8.0212 117.0916 56.2785 38.5404 177.1038 4554 N 4.2952 8.3019 117.9758 56.4956 38.6249 177.4605 4555 L 4.0098 7.9857 120.1993 57.4574 41.7880 179.1221 4556 L 3.9254 7.9657 120.2847 58.3951 42.0536 179.3256 4557 R 3.9451 8.2359 117.7890 59.0508 29.9228 178.9032 4558 A 3.9958 7.8483 120.2722 55.3071 18.4021 179.7829 4559 I 3.6528 7.7602 118.2961 64.5743 36.6959 178.5937 4560 E 3.9554 8.3625 119.2473 59.3085 29.2845 179.3006 4561 A 4.1092 8.2449 120.9306 55.2598 18.3996 179.7256 4562 Q 3.9108 8.2727 116.7009 59.0751 28.8373 178.7813 4563 Q 3.9005 8.2483 120.6246 59.0935 28.9923 178.0846 4564 H 3.8894 7.6810 116.9479 58.5457 28.7316 177.2903 4565 L 3.6932 7.4483 122.0874 58.1097 41.8070 178.8265 4566 L 4.1351 7.9673 121.5890 57.4310 41.9957 178.9140 4567 Q 4.0878 7.9930 118.0184 58.6720 28.5935 178.5670 4568 L 4.1633 7.8409 120.5594 58.0175 41.3774 179.6219 4569 T 4.3441 8.1492 109.9193 64.7704 68.7637 176.8957 4570 V 3.7309 8.0344 121.2071 65.5638 31.5824 177.8059 4571 W 4.1695 8.5058 128.3095 60.4090 30.5450 178.1101 4572 G 3.2416 8.6276 105.6822 47.7226 0.0000 175.7540 4573 I 3.7436 7.9307 122.2678 63.9429 37.1575 178.2810 4574 K 3.7862 7.9973 120.4282 59.7675 31.9563 178.7990 4575 Q 3.7039 7.6419 118.0815 58.7565 28.4943 178.7029 4576 L 3.9308 8.0396 120.1315 57.7008 41.6819 179.2829 4577 Q 3.8868 8.3281 119.5624 59.2052 28.7723 178.3008 4578 A 4.0026 7.7057 120.6749 55.1332 18.6535 179.4979 4579 R 4.0317 8.0793 116.5803 59.0392 29.9304 179.1473 4580 I 3.7159 7.4916 119.4980 63.8967 37.1565 177.4397 4581 L 4.3401 7.2432 116.6430 56.1076 40.6001 176.7559 4582 A 4.2310 7.7244 128.3850 52.6306 19.2844 175.9779 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 543 Q 8.20 4.27 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 544 L 7.73 3.92 0.00 1.83 1.63 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 545 L 8.03 3.99 0.00 1.77 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 546 S 8.13 4.23 0.00 3.88 3.86 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 0.00 547 G 7.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 I 7.57 3.74 2.02 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 1.69 0.89 0.91 0.00 0.00 549 V 7.68 3.59 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 0.99 0.00 0.00 0.97 0.00 0.00 550 Q 7.90 4.02 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 551 Q 7.89 4.00 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 552 Q 8.29 3.98 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 553 N 7.98 4.30 0.00 2.98 2.99 0.00 0.00 7.13 6.18 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 0.00 554 N 8.10 4.34 0.00 2.96 2.84 0.00 0.00 7.05 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 0.00 555 L 8.12 3.98 0.00 1.83 1.71 0.92 0.45 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 0.00 556 L 8.21 3.94 0.00 1.80 1.91 0.92 1.07 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 0.00 557 R 8.13 4.08 0.00 2.05 1.95 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 558 A 8.14 3.98 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 0.00 559 I 7.86 3.64 1.99 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 1.51 0.67 0.90 0.00 0.00 560 E 8.28 3.85 0.00 2.11 1.88 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 2.30 2.49 0.00 561 A 7.99 3.90 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 0.00 562 Q 8.24 3.87 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 563 Q 8.40 3.90 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 564 H 8.10 4.10 0.00 3.41 3.28 0.00 5.69 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 0.00 565 L 7.87 3.92 0.00 1.76 1.79 0.93 0.62 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 0.00 566 L 8.15 3.92 0.00 1.91 1.81 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 567 Q 8.15 3.60 0.00 2.03 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.03 1.16 0.00 568 L 7.35 3.54 0.00 1.76 1.78 1.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 569 T 7.93 3.92 4.36 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 1.33 0.00 0.00 570 V 7.76 3.86 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 1.27 0.00 0.00 1.02 0.00 0.00 571 W 8.48 4.62 0.00 3.66 3.12 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 0.00 572 G 8.60 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 0.00 0.00 0.00 573 I 8.29 3.85 2.25 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.11 0.00 0.00 574 K 8.72 4.06 0.00 2.01 2.00 0.00 2.02 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.89 2.10 7.81 575 Q 8.05 3.93 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 576 L 7.90 3.98 0.00 1.70 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 577 Q 8.01 3.41 0.00 0.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.38 1.88 0.00 578 A 8.01 3.90 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 0.00 579 R 7.64 3.90 0.00 1.75 1.93 0.00 3.13 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 580 I 7.44 3.86 1.76 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 1.22 0.46 0.86 0.00 0.00 581 L 7.73 4.16 0.00 1.91 1.60 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.24 3.79 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 1.14 0.00 0.00 1640 S 8.10 4.02 0.00 3.89 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 1641 L 7.72 3.90 0.00 1.86 1.82 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1642 I 7.98 3.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.37 1.02 0.00 0.00 1643 H 8.14 4.28 0.00 3.41 3.33 0.00 5.69 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 1644 S 8.00 4.16 0.00 4.06 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 1645 L 8.15 4.05 0.00 1.71 1.72 0.95 0.70 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 1646 I 8.06 3.67 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.91 0.00 0.00 1647 E 8.07 4.32 0.00 2.18 1.95 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1.91 0.00 5.68 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 2565 L 7.73 3.91 0.00 1.81 1.68 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 2566 L 8.13 4.01 0.00 1.79 1.70 0.96 0.86 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 2567 Q 8.19 4.13 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 2568 L 7.98 4.27 0.00 1.86 1.73 0.81 0.43 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 2569 T 8.25 4.36 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 1.43 0.00 0.00 2570 V 8.19 3.87 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 1.13 0.00 0.00 1.06 0.00 0.00 2571 W 8.49 4.24 0.00 3.63 3.49 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 2572 G 8.73 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.62 0.80 0.77 0.00 0.00 2581 L 7.75 4.78 0.00 1.44 1.43 0.56 0.72 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 *3624 G 7.87 4.16 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 0.00 0.00 0.00 3625 H 9.23 4.28 0.00 3.23 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3626 T 7.96 4.08 4.32 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 1.26 0.00 0.00 3627 T 7.85 4.06 4.46 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 1.17 0.00 0.00 3628 W 8.37 4.22 0.00 3.44 3.33 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 3629 M 8.03 4.23 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 3630 E 8.12 4.02 0.00 2.09 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 2.33 2.48 0.00 3631 W 8.38 3.90 0.00 3.08 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 3632 D 8.77 4.33 0.00 3.37 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 3633 R 7.84 3.86 0.00 1.92 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 3634 E 8.03 3.87 0.00 2.04 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 2.27 2.40 0.00 3635 I 7.60 3.47 1.47 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.67 0.00 0.00 3636 N 8.14 4.34 0.00 2.84 2.83 0.00 0.00 7.08 6.53 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 3637 N 8.07 4.24 0.00 2.67 2.53 0.00 0.00 7.03 7.63 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 3638 Y 7.97 3.96 0.00 3.04 2.89 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 3639 T 7.97 3.81 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 1.29 0.00 0.00 3640 S 7.93 4.12 0.00 3.98 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 3641 L 8.06 3.93 0.00 1.79 1.81 0.84 1.31 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 3642 I 8.36 3.72 1.92 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 1.54 0.74 0.86 0.00 0.00 3643 H 8.05 4.15 0.00 3.34 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3644 S 7.81 4.47 0.00 4.06 4.12 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 3645 L 7.99 4.04 0.00 2.05 1.75 0.95 0.82 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 3646 I 8.03 3.74 2.02 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 1.50 0.84 0.92 0.00 0.00 3647 E 8.50 4.24 0.00 2.13 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 2.34 2.38 0.00 3648 E 8.31 3.99 0.00 2.20 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 2.32 2.48 0.00 3649 S 7.90 4.42 0.00 4.05 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 3650 Q 8.45 3.98 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 3651 N 8.30 4.40 0.00 2.73 2.86 0.00 0.00 6.70 6.91 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 3652 Q 8.08 3.98 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 3653 Q 8.38 3.92 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 3654 E 8.17 3.96 0.00 2.17 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 2.32 0.00 3655 K 7.87 3.96 0.00 1.95 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 3656 N 8.39 4.33 0.00 2.96 2.85 0.00 0.00 7.06 8.15 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 3657 E 8.28 3.99 0.00 2.11 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 2.35 2.42 0.00 3658 Q 8.10 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 3659 E 8.15 3.93 0.00 2.21 1.94 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 2.30 2.36 0.00 3660 L 7.90 3.97 0.00 1.76 1.91 0.92 0.91 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 3661 L 7.53 4.25 0.00 1.79 1.70 0.92 1.34 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 3662 E 8.43 4.62 0.00 1.93 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 2.24 2.49 0.00 3663 G 7.83 4.36 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 0.00 3664 S 7.92 4.41 0.00 3.81 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 *4543 Q 8.58 4.28 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 4544 L 7.60 3.93 0.00 1.84 1.65 0.92 0.51 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 4545 L 7.89 3.95 0.00 1.79 1.64 0.92 0.73 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 4546 S 8.10 4.28 0.00 4.08 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 4547 G 8.01 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4548 I 8.03 3.72 2.02 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 1.41 0.75 0.91 0.00 0.00 4549 V 7.64 3.57 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 1.03 0.00 0.00 0.93 0.00 0.00 4550 Q 8.29 4.01 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 4551 Q 8.22 3.98 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 4552 Q 8.35 4.05 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 4553 N 8.02 4.38 0.00 2.84 2.86 0.00 0.00 7.04 8.26 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 4554 N 8.30 4.30 0.00 3.02 2.88 0.00 0.00 7.05 6.30 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 4555 L 7.99 4.01 0.00 1.85 1.70 0.92 0.51 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 4556 L 7.97 3.93 0.00 1.86 1.83 0.92 0.76 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 4557 R 8.24 3.95 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 4558 A 7.85 4.00 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 4559 I 7.76 3.65 1.99 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 1.51 0.75 0.89 0.00 0.00 4560 E 8.36 3.96 0.00 2.18 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 2.33 2.51 0.00 4561 A 8.24 4.11 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 4562 Q 8.27 3.91 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 4563 Q 8.25 3.90 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 4564 H 7.68 3.89 0.00 2.84 2.12 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4565 L 7.45 3.69 0.00 1.59 1.74 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4566 L 7.97 4.14 0.00 1.94 1.75 0.94 0.51 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 4567 Q 7.99 4.09 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 4568 L 7.84 4.16 0.00 1.82 1.59 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4569 T 8.15 4.34 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 4570 V 8.03 3.73 2.31 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 1.05 0.00 0.00 1.06 0.00 0.00 4571 W 8.51 4.17 0.00 3.55 3.42 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 4572 G 8.63 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 0.00 0.00 0.00 4573 I 7.93 3.74 1.93 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 1.51 0.83 0.96 0.00 0.00 4574 K 8.00 3.79 0.00 1.95 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.44 7.81 4575 Q 7.64 3.70 0.00 1.67 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 4576 L 8.04 3.93 0.00 1.81 1.64 0.88 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4577 Q 8.33 3.89 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4578 A 7.71 4.00 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 4579 R 8.08 4.03 0.00 1.77 1.90 0.00 3.27 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 4580 I 7.49 3.72 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.53 0.86 0.00 0.00 4581 L 7.24 4.34 0.00 1.89 1.74 0.91 0.64 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 4582 A 7.72 4.23 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 * Residues marked with a * may have inaccurate shift predictions.