NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *522 Y 4.4946 8.1444 119.1535 57.0643 37.6186 174.8171 523 T 4.1483 8.0281 121.3177 58.8213 68.0087 171.0289 524 N 4.5816 8.3649 127.2239 52.6861 39.0327 173.3895 525 E 4.6404 8.0891 122.2592 53.8333 32.7351 175.6109 526 V 3.4855 8.4211 121.2320 63.8592 31.7827 174.7267 527 H 4.6751 8.8554 124.5476 53.5697 29.4741 174.3226 528 A 4.0408 8.6289 128.3347 52.2250 17.7724 177.0343 529 K 3.7766 8.4091 122.5698 59.0201 32.7831 177.3298 530 F 4.9098 8.3988 116.4306 55.9234 42.3404 175.8080 531 D 4.9758 8.7415 121.2112 54.1010 42.2014 176.1731 532 D 4.8377 8.0657 119.6105 52.8083 41.9362 175.9166 533 Y 3.9587 9.0173 128.2828 60.9345 39.1520 176.9167 534 D 4.4557 8.4642 117.8142 57.3178 41.3861 177.7762 535 L 4.0958 8.9763 119.7848 57.5562 41.9889 180.0167 536 G 2.4960 7.7485 104.7399 45.6910 0.0000 174.7179 *538 E 4.1072 8.3242 122.1270 56.0144 31.5654 176.9743 539 Y 4.1762 8.0471 118.9952 60.8262 38.6917 178.0365 540 A 3.9794 8.1134 121.4592 55.1661 18.3467 179.4003 541 R 3.8166 7.9049 116.5526 59.9594 29.9694 178.6759 542 Q 3.9518 8.0501 116.1185 58.2493 28.6396 177.4268 543 H 4.5174 7.5793 114.6601 54.0070 29.6936 174.2668 544 N 4.2891 7.6831 117.2707 54.6956 36.6260 174.2293 545 K 4.3284 7.8235 115.1866 53.4860 35.3606 175.1995 546 P 3.9977 0.0000 0.0000 62.5040 32.6373 175.1253 547 V 5.2745 8.1521 119.2938 60.8077 35.2066 173.4351 *549 L 4.3143 8.3574 117.1924 54.9568 43.5505 175.4757 550 D 5.1898 8.6783 124.3477 52.2894 42.8166 174.3461 551 F 4.5750 9.1050 125.6767 57.4894 40.1383 174.7388 552 T 4.5145 8.7373 119.0892 61.2176 71.3077 172.1114 553 G 4.7628 8.1461 106.2249 45.0029 0.0000 174.1737 554 Y 4.3866 9.2447 121.0802 60.2746 38.0381 177.8490 555 G 3.9674 8.1983 105.4172 45.2105 0.0000 173.1900 556 C 4.1673 7.7095 121.0922 58.6778 31.7489 173.9903 557 V 3.5066 8.2905 128.4123 66.4582 30.9591 177.5500 558 N 3.9056 7.7739 113.8699 55.8996 38.3772 176.7572 559 C 4.1061 7.8305 117.2303 62.8652 28.5330 175.6786 560 R 3.9966 7.7639 119.8394 59.1071 29.6088 179.1230 561 K 4.0453 7.9157 115.6262 57.1571 31.8563 178.2504 *563 E 3.8271 8.1128 121.7382 56.1418 31.1471 177.8604 564 L 3.9022 7.9835 117.0194 57.1337 41.7580 178.5211 565 A 4.3625 8.0204 119.4354 53.0294 19.4465 178.2083 566 V 4.1343 7.3605 114.1819 64.5831 33.2239 177.7251 567 W 4.3059 8.1803 116.5250 59.6573 29.0600 177.2220 568 T 4.1587 7.4203 106.5742 62.6738 68.8191 174.9904 569 D 4.4568 8.0486 123.7404 53.6416 42.6856 174.7289 570 P 4.2113 0.0000 0.0000 65.6429 31.4634 178.8080 571 K 3.9593 8.0529 118.3433 59.3225 32.1221 179.1591 572 V 3.5472 7.8738 118.1397 65.9725 31.4893 177.7832 573 S 3.8751 8.2188 113.0328 61.4094 62.1963 176.2185 574 S 4.0681 8.0723 117.7692 61.6925 62.4993 176.7926 575 I 3.9652 7.5124 123.5804 63.9372 36.8532 178.6733 576 I 3.6548 7.5527 120.5306 64.4433 36.6746 178.3442 577 N 4.3061 8.1136 116.3590 55.9851 38.4331 176.5242 578 N 4.6460 8.4242 116.5802 54.2533 39.3203 175.7106 579 D 4.6862 8.4737 118.6656 54.0520 42.7123 175.4481 580 Y 4.5679 7.2918 114.8814 55.8217 41.1394 175.0137 581 V 4.3299 8.4565 122.2891 61.3117 33.4772 174.4912 582 L 4.3354 8.5286 131.0624 54.6651 43.6061 175.2071 583 I 4.8935 8.3739 126.7721 59.7171 40.1680 174.5747 584 T 4.3675 8.8816 119.5193 60.7780 70.2640 174.0809 585 L 4.2445 8.3320 128.3271 52.7622 42.9591 175.4562 586 Y 4.4539 8.2390 122.8323 57.3335 38.1734 177.1619 587 V 4.1996 9.0852 119.3488 62.8655 32.3006 176.9962 588 D 5.0085 7.9870 119.2006 52.7509 39.8579 174.9907 589 N 5.0327 8.2235 119.7525 54.3790 39.2085 175.6878 590 K 4.3366 8.6934 124.1302 57.1148 33.1139 177.0036 591 T 3.8438 8.4943 116.8398 63.3462 68.7580 171.7172 592 P 4.7419 0.0000 0.0000 62.3930 32.0084 176.4706 593 L 4.2737 8.7111 122.6565 54.7106 42.2881 177.5213 594 T 4.0611 8.6171 118.2394 66.3268 68.5395 174.3888 595 E 4.7465 7.5902 115.4533 53.6871 32.7263 172.9393 596 P 4.6615 0.0000 0.0000 62.5803 32.7181 175.9731 597 V 4.2941 8.6616 121.4305 61.1061 34.3456 174.4361 598 K 4.7206 8.6976 128.0826 55.0090 32.8037 175.8409 599 I 4.2995 8.8778 120.6808 60.6804 41.2432 175.5807 *601 E 4.2127 8.7023 120.1837 55.8680 30.2721 173.8289 602 N 4.4030 8.3651 123.2671 53.2926 37.5115 174.5676 603 G 4.2486 8.4549 115.7359 45.3962 0.0000 170.9097 604 T 4.6954 7.8455 108.1506 58.5877 72.1246 172.9941 605 E 4.1980 8.6981 124.8970 57.1784 30.3066 176.6745 606 R 4.6844 9.1409 124.8747 55.5200 34.1281 172.9934 607 T 4.6901 8.4670 120.4318 61.2638 69.7340 174.4014 608 L 4.2206 9.1494 128.7235 54.5733 42.2974 177.9840 609 R 4.5758 9.7738 122.9208 56.1544 33.6041 175.8752 610 T 5.0435 7.8991 107.2447 58.8758 72.1411 174.8340 611 V 3.7247 8.8844 122.0717 66.2063 31.3089 178.2670 612 G 3.9105 8.2555 105.3479 48.2451 0.0000 175.1255 613 D 4.4311 8.2192 121.5776 56.8780 40.8277 178.9720 614 K 3.7637 7.9408 119.8994 59.4576 32.2220 179.0267 615 W 4.5987 8.2412 119.1669 59.7214 28.8155 178.7784 616 S 4.2439 8.6060 115.6106 61.7550 62.2611 176.1547 617 Y 4.0225 8.0991 122.0921 60.8412 38.5444 178.0598 618 L 3.7936 8.1895 119.9120 57.3787 41.6787 179.1254 619 Q 3.8250 8.4040 119.8074 59.1957 28.8826 178.7979 620 R 3.8010 7.4569 118.7206 59.5193 29.9708 179.6025 621 V 3.5091 7.2426 110.3382 63.3960 31.5306 178.0242 622 K 4.0203 7.8336 117.2219 57.0168 31.6028 177.7522 623 F 5.0183 7.8003 115.1552 55.8803 39.8103 175.9928 624 G 3.7775 8.0593 106.0855 46.1013 0.0000 173.5667 625 A 4.4781 7.1604 117.9106 50.0224 21.9210 176.5632 626 N 4.7271 8.3536 115.9288 52.1437 38.2645 174.1265 627 A 4.5445 7.4040 120.6215 51.4667 20.5080 177.3240 628 Q 4.6738 8.0627 118.0256 53.0463 32.6650 173.7773 629 P 4.4684 0.0000 0.0000 63.1810 32.5126 175.8169 630 F 4.7215 8.2175 124.0124 57.5595 42.9077 172.2801 631 Y 5.3184 8.6603 124.8743 56.2533 40.5031 175.0899 632 V 4.7075 8.7189 123.5113 61.0738 34.5965 174.4071 633 L 4.9496 8.6003 127.6600 53.3762 43.4997 175.5208 634 I 5.3010 9.0012 117.1498 59.3514 41.8773 175.2592 635 D 4.8965 8.7710 123.2023 52.4960 41.4242 176.5201 636 N 4.6641 8.9205 114.9613 54.9306 38.5481 175.5017 637 E 4.5146 9.0067 117.6477 55.8053 30.0238 176.8222 638 G 4.0990 8.3545 106.6135 45.7829 0.0000 173.7047 639 N 4.6549 8.2315 117.9447 51.8435 39.2485 173.0691 640 P 4.8953 0.0000 0.0000 63.0690 31.9115 176.2495 641 L 4.5969 8.7807 120.7853 54.6485 42.6405 175.4160 642 N 4.5392 7.4824 115.4126 52.2346 41.5688 173.5499 643 K 4.3044 8.5551 120.7416 56.3762 33.2366 176.7877 644 S 4.4681 8.3928 114.6130 58.7087 63.9676 172.5665 645 Y 4.3978 8.3787 121.3180 54.8706 41.2786 173.5656 646 A 5.4096 8.1465 126.4722 52.5587 22.2011 177.4449 647 Y 4.4542 8.7277 121.7033 58.8132 38.9866 174.5806 648 D 3.8230 7.9951 123.7206 53.9100 43.0965 174.2807 649 E 4.1620 8.4027 126.1573 56.6123 29.5066 177.2510 650 D 4.5313 8.0428 120.0926 53.5439 41.1075 176.4876 651 I 3.7572 8.3031 129.1503 64.5848 37.3124 178.4153 652 S 4.2328 8.1496 114.3429 61.0662 63.0014 176.2475 653 K 4.0608 8.3328 123.2005 59.5334 31.9337 178.1876 654 Y 3.6922 8.3091 119.9308 60.5050 38.5719 178.0836 655 I 3.6571 8.0244 120.7788 64.4770 37.2370 177.9197 656 N 4.2992 8.2562 117.2989 56.3921 38.5058 177.1432 657 F 4.2170 8.1241 121.7337 61.3640 39.5658 177.2159 658 L 3.4282 7.6352 118.5253 57.7681 41.3032 179.6257 659 Q 4.0114 8.3624 118.3707 58.9604 28.5535 178.6987 660 T 3.9319 8.0889 117.0508 66.6872 68.5232 176.7487 661 G 3.6496 7.7568 107.0996 47.3046 0.0000 175.4715 662 L 3.7777 7.7568 122.3406 57.9339 42.1463 178.7014 663 E 3.9093 8.3538 119.4303 59.3934 29.3496 178.4158 664 N 4.3294 8.2583 115.8425 56.3266 38.8325 176.4843 665 Y 4.1715 8.2267 120.9329 60.9217 38.9787 178.3596 666 R 3.8609 8.3085 119.1311 59.1108 29.9592 178.8613 667 K 4.1548 7.9807 116.4950 58.2990 32.0722 178.5743 668 E 4.0514 7.8079 118.6523 57.9165 29.4567 176.7879 669 K 4.0832 7.6564 122.7046 56.3089 32.3564 175.9604 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 *522 Y 8.14 4.49 0.00 2.35 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 0.00 0.00 0.00 0.00 523 T 8.03 4.15 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 1.27 0.00 0.00 524 N 8.36 4.58 0.00 2.72 2.75 0.00 0.00 7.00 7.65 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 0.00 525 E 8.09 4.64 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 2.07 2.18 0.00 526 V 8.42 3.49 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 0.24 0.00 0.00 0.44 0.00 0.00 527 H 8.86 4.68 0.00 3.12 3.16 0.00 5.72 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 0.00 528 A 8.63 4.04 1.37 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 0.00 0.00 529 K 8.41 3.78 0.00 1.98 1.74 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.10 1.33 7.81 530 F 8.40 4.91 0.00 3.00 3.01 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 0.00 531 D 8.74 4.98 0.00 2.78 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 0.00 532 D 8.07 4.84 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 Y 9.02 3.96 0.00 2.66 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 0.00 534 D 8.46 4.46 0.00 2.81 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 0.00 535 L 8.98 4.10 0.00 1.74 1.78 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 536 G 7.75 2.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *538 E 8.32 4.11 0.00 2.10 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 0.00 2.28 2.37 0.00 539 Y 8.05 4.18 0.00 3.11 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 A 8.11 3.98 1.37 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 0.00 0.00 541 R 7.90 3.82 0.00 1.86 2.04 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 542 Q 8.05 3.95 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 543 H 7.58 4.52 0.00 2.87 3.13 0.00 5.80 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 N 7.68 4.29 0.00 2.79 2.93 0.00 0.00 6.70 7.52 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 0.00 545 K 7.82 4.33 0.00 1.63 1.49 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.48 7.81 546 P 0.00 4.00 0.00 1.82 1.13 0.00 3.12 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.96 0.00 547 V 8.15 5.27 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 1.35 0.00 0.00 0.87 0.00 0.00 *549 L 8.36 4.31 0.00 1.66 1.30 1.16 0.89 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 0.00 550 D 8.68 5.19 0.00 3.07 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 F 9.10 4.58 0.00 3.13 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 0.00 552 T 8.74 4.51 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 0.26 0.00 0.00 553 G 8.15 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.24 4.39 0.00 3.16 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 0.00 555 G 8.20 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 0.00 0.00 0.00 556 C 7.71 4.17 0.00 2.92 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 0.00 557 V 8.29 3.51 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 0.99 0.00 0.00 0.89 0.00 0.00 558 N 7.77 3.91 0.00 2.36 2.00 0.00 0.00 6.90 7.66 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 0.00 559 C 7.83 4.11 0.00 3.01 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 0.00 560 R 7.76 4.00 0.00 1.92 2.01 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 561 K 7.92 4.05 0.00 2.01 2.17 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.55 7.81 *563 E 8.11 3.83 0.00 1.81 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 2.32 2.29 0.00 564 L 7.98 3.90 0.00 1.65 1.71 0.92 0.68 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 0.00 565 A 8.02 4.36 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 0.00 566 V 7.36 4.13 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 0.73 0.00 0.00 0.80 0.00 0.00 567 W 8.18 4.31 0.00 3.33 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 0.00 568 T 7.42 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 569 D 8.05 4.46 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 0.00 570 P 0.00 4.21 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 571 K 8.05 3.96 0.00 1.78 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 572 V 7.87 3.55 2.33 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 1.03 0.00 0.00 1.05 0.00 0.00 573 S 8.22 3.88 0.00 4.14 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 S 8.07 4.07 0.00 4.02 3.87 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 0.00 575 I 7.51 3.97 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 1.00 0.00 0.00 576 I 7.55 3.65 1.49 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.48 0.00 0.00 577 N 8.11 4.31 0.00 2.71 2.85 0.00 0.00 7.05 8.83 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 0.00 578 N 8.42 4.65 0.00 2.73 2.84 0.00 0.00 6.94 7.66 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 0.00 579 D 8.47 4.69 0.00 2.70 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 Y 7.29 4.57 0.00 3.09 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 V 8.46 4.33 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 1.06 0.00 0.00 1.16 0.00 0.00 582 L 8.53 4.34 0.00 1.74 1.51 1.01 0.85 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 0.00 583 I 8.37 4.89 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.82 0.00 0.00 584 T 8.88 4.37 3.88 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 1.35 0.00 0.00 585 L 8.33 4.24 0.00 0.56 0.87 -0.39 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 586 Y 8.24 4.45 0.00 2.87 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 0.00 587 V 9.09 4.20 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 0.91 0.00 0.00 1.03 0.00 0.00 588 D 7.99 5.01 0.00 2.93 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 0.00 589 N 8.22 5.03 0.00 3.07 3.06 0.00 0.00 7.20 7.22 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 0.00 590 K 8.69 4.34 0.00 1.80 1.86 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 591 T 8.49 3.84 4.37 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 1.27 0.00 0.00 592 P 0.00 4.74 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 593 L 8.71 4.27 0.00 1.70 1.68 0.89 1.09 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 0.00 594 T 8.62 4.06 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 0.00 595 E 7.59 4.75 0.00 1.99 1.85 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 2.15 2.29 0.00 596 P 0.00 4.66 0.00 1.93 1.99 0.00 3.60 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 2.01 2.06 0.00 597 V 8.66 4.29 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 0.85 0.00 0.00 0.86 0.00 0.00 598 K 8.70 4.72 0.00 1.63 1.68 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 599 I 8.88 4.30 1.50 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.74 0.41 0.00 0.00 *601 E 8.70 4.21 0.00 2.21 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 2.32 2.47 0.00 602 N 8.37 4.40 0.00 2.76 2.78 0.00 0.00 6.78 7.65 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 0.00 603 G 8.45 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 0.00 0.00 0.00 0.00 604 T 7.85 4.70 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 1.21 0.00 0.00 605 E 8.70 4.20 0.00 1.93 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 2.26 2.23 0.00 606 R 9.14 4.68 0.00 1.42 1.69 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 607 T 8.47 4.69 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 0.00 608 L 9.15 4.22 0.00 1.44 1.50 0.48 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 609 R 9.77 4.58 0.00 1.78 1.91 0.00 3.06 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 610 T 7.90 5.04 4.52 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 1.29 0.00 0.00 611 V 8.88 3.72 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 1.34 0.00 0.00 1.07 0.00 0.00 612 G 8.26 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 0.00 613 D 8.22 4.43 0.00 2.92 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 0.00 614 K 7.94 3.76 0.00 1.65 1.71 0.00 1.41 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.34 1.03 7.81 615 W 8.24 4.60 0.00 3.63 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 S 8.61 4.24 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 Y 8.10 4.02 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 L 8.19 3.79 0.00 1.91 1.80 0.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 619 Q 8.40 3.83 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 620 R 7.46 3.80 0.00 1.75 1.79 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 621 V 7.24 3.51 1.82 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 0.08 0.00 0.00 0.48 0.00 0.00 622 K 7.83 4.02 0.00 1.16 1.05 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.39 7.81 623 F 7.80 5.02 0.00 3.09 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 0.00 624 G 8.06 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 0.00 625 A 7.16 4.48 0.19 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 0.00 626 N 8.35 4.73 0.00 2.69 2.71 0.00 0.00 5.99 7.26 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 0.00 627 A 7.40 4.54 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 0.00 628 Q 8.06 4.67 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 629 P 0.00 4.47 0.00 1.81 1.92 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 630 F 8.22 4.72 0.00 3.09 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 0.00 631 Y 8.66 5.32 0.00 3.01 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 0.00 632 V 8.72 4.71 1.90 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 0.64 0.00 0.00 0.38 0.00 0.00 633 L 8.60 4.95 0.00 1.55 1.54 -0.11 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 634 I 9.00 5.30 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 1.14 0.00 0.00 635 D 8.77 4.90 0.00 3.21 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 0.00 636 N 8.92 4.66 0.00 2.81 2.94 0.00 0.00 6.65 7.66 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 0.00 637 E 9.01 4.51 0.00 2.07 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 2.27 2.29 0.00 638 G 8.35 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 N 8.23 4.65 0.00 3.20 2.83 0.00 0.00 7.06 8.03 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 0.00 640 P 0.00 4.90 0.00 2.16 2.15 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 641 L 8.78 4.60 0.00 1.68 1.83 1.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 642 N 7.48 4.54 0.00 2.56 2.74 0.00 0.00 7.07 6.68 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 0.00 643 K 8.56 4.30 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 644 S 8.39 4.47 0.00 2.79 3.61 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 0.00 645 Y 8.38 4.40 0.00 1.43 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 0.00 0.00 0.00 0.00 646 A 8.15 5.41 1.16 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 0.00 647 Y 8.73 4.45 0.00 2.90 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 0.00 648 D 8.00 3.82 0.00 2.31 2.35 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 0.00 649 E 8.40 4.16 0.00 1.88 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 0.00 2.27 1.96 0.00 650 D 8.04 4.53 0.00 2.82 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 0.00 651 I 8.30 3.76 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.64 0.95 0.00 0.00 652 S 8.15 4.23 0.00 4.08 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 0.00 653 K 8.33 4.06 0.00 2.24 2.20 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.54 7.81 654 Y 8.31 3.69 0.00 3.01 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 0.00 655 I 8.02 3.66 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.94 0.00 0.00 656 N 8.26 4.30 0.00 3.01 2.94 0.00 0.00 6.71 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 0.00 657 F 8.12 4.22 0.00 3.10 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 0.00 658 L 7.64 3.43 0.00 1.67 1.56 0.71 -0.16 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 0.00 659 Q 8.36 4.01 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 660 T 8.09 3.93 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 661 G 7.76 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 0.00 662 L 7.76 3.78 0.00 1.90 1.77 0.45 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 663 E 8.35 3.91 0.00 2.21 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 2.30 2.39 0.00 664 N 8.26 4.33 0.00 2.96 2.91 0.00 0.00 7.01 8.31 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 0.00 665 Y 8.23 4.17 0.00 3.08 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 0.00 666 R 8.31 3.86 0.00 1.88 1.94 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 667 K 7.98 4.15 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.61 7.81 668 E 7.81 4.05 0.00 1.81 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 2.27 2.42 0.00 669 K 7.66 4.08 0.00 1.61 1.59 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.07 7.81 * Residues marked with a * may have inaccurate shift predictions.