NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 539 S 4.3192 8.3349 115.4126 58.0506 64.2017 174.8165 540 N 4.4423 7.9384 116.6223 52.4777 38.7838 174.0693 541 A 4.5729 9.2911 126.8205 51.9635 20.4929 175.8680 542 Q 4.7325 7.4512 115.0559 53.8267 33.3402 174.8679 543 V 3.9503 8.3857 122.0960 63.1208 32.5581 175.1191 544 E 4.3889 8.8570 127.6179 55.7319 31.0983 175.4013 545 V 4.8223 8.4261 124.1592 61.2723 33.9474 174.0495 546 I 4.9716 8.9717 129.1689 59.5880 40.2538 175.2348 547 V 5.2605 8.7348 126.2239 60.5693 34.8645 173.9667 *550 H 4.5458 8.5554 118.9447 56.5640 29.5226 173.6108 551 G 3.9998 8.6846 107.5150 44.8700 0.0000 174.0444 552 R 4.1520 8.2925 117.5937 58.9086 30.4195 178.8355 553 S 5.0816 7.6285 109.3273 58.7301 63.9640 176.1932 554 T 3.8038 8.3129 118.9153 67.4939 68.4798 175.8385 555 A 4.1600 8.3436 122.9338 55.6004 18.9038 178.9480 556 T 4.0033 8.3859 112.2476 67.0573 68.7909 177.3553 557 S 4.3301 8.1319 113.3937 58.8781 61.9590 175.8801 *559 V 3.9929 7.9586 119.1125 62.4897 32.8323 177.2175 560 E 4.0510 8.6022 119.3540 59.7120 29.0989 179.8034 561 T 3.9214 7.9617 115.8216 66.6664 68.6413 177.1523 562 V 3.6151 7.7279 119.6499 65.9993 31.6526 177.8522 563 Q 4.0881 8.5131 118.4400 58.8685 28.2168 178.4346 564 E 3.9725 7.9995 120.4319 59.1878 29.5043 178.7485 565 L 4.0005 7.9531 118.1076 57.1236 41.7842 178.5393 566 L 4.4071 7.9370 115.9848 53.3982 43.0551 176.2729 567 S 3.7790 7.5549 114.4353 59.8691 60.8742 171.7229 568 I 4.6676 7.5381 110.4028 59.2795 40.3884 175.4342 569 E 4.5089 8.5147 118.9991 56.1163 30.6996 176.4715 570 S 4.3296 7.7566 113.8400 58.1120 64.3222 172.1245 571 G 4.1410 8.7586 110.5953 45.8258 0.0000 172.8443 572 I 4.6889 8.6263 122.8733 59.1574 40.9591 174.1355 573 A 5.1650 8.6585 127.5873 50.2220 20.8927 175.8668 574 L 4.5845 8.9675 123.0765 53.4345 44.1854 176.1592 575 D 4.6657 8.3194 127.2813 52.6536 43.1699 173.7375 *577 P 4.3917 0.0000 0.0000 63.1021 32.3799 177.0144 578 L 4.3513 8.3718 117.6236 56.3799 41.5542 178.3561 579 T 4.1808 7.6856 108.9207 63.0559 69.6499 175.3752 580 V 3.9155 7.3414 122.2420 61.8520 31.9689 175.6150 581 E 4.2816 8.5667 126.2831 55.8539 30.2736 177.8678 582 V 3.5893 8.5088 121.1416 66.1830 31.7998 177.2208 583 K 3.9106 8.1883 120.0535 59.7505 32.3156 178.9303 584 A 4.0924 7.7319 117.6301 53.2846 18.4050 178.4891 *586 Y 4.0759 7.9883 121.7340 58.9272 40.6999 176.9396 587 E 3.7641 8.3098 119.2237 59.4634 29.5163 179.4099 588 K 3.8962 8.1393 119.4099 59.1935 32.1949 178.5031 589 L 3.8749 7.6618 120.1975 57.9581 41.9017 178.3861 590 K 3.6055 7.5024 119.3544 59.8736 31.8260 178.4606 591 Q 3.9592 7.7880 116.6895 59.3412 28.8915 179.1478 592 T 3.9557 7.7503 116.5391 66.6041 68.4900 176.6809 593 V 3.5402 7.8371 120.0466 66.3115 31.3267 178.2664 594 V 3.5549 7.3565 116.0894 65.2325 31.3490 177.0520 595 K 4.3529 7.6744 115.7696 56.4805 32.5332 176.8313 596 L 4.2965 7.9658 118.6783 53.8193 42.7768 175.7648 597 N 4.0696 8.0044 116.2846 54.0897 37.2086 172.5096 598 P 4.6253 0.0000 0.0000 61.6549 31.5167 178.5879 599 V 3.5469 7.7044 119.5583 66.6793 31.9140 176.4112 600 K 4.1684 7.9078 115.4610 56.1885 32.5770 176.3148 601 G 3.8958 8.2913 106.0266 44.4467 0.0000 172.2978 602 V 4.8384 8.5516 117.6128 60.8168 34.7990 173.8365 603 L 5.0299 9.0459 130.2627 53.6278 44.0231 174.8560 604 I 4.7976 8.8904 128.5013 60.2000 39.1486 174.6987 605 L 5.2401 9.5375 129.2210 53.1738 43.5277 175.9008 606 S 5.1389 9.2599 118.5807 57.0124 66.7585 174.2916 607 D 4.4390 8.8726 117.8496 54.9099 41.3501 176.7066 *609 G 3.9287 7.5191 110.4390 44.3386 0.0000 174.4674 610 S 4.0764 8.6101 113.8950 61.4996 62.6028 176.3609 611 L 2.7448 7.6497 121.9038 57.7090 40.9826 179.4561 612 T 3.6745 7.6393 114.8379 65.3702 68.5005 175.6504 613 S 4.6948 8.0193 114.4898 57.9576 64.1565 175.8446 614 F 4.4916 7.8242 122.6227 61.0740 38.7754 177.5072 615 G 3.7937 8.3833 104.3024 48.2336 0.0000 175.1232 616 N 4.4178 8.2162 118.9314 55.8849 38.5064 177.4011 617 I 3.6885 7.6472 121.1173 64.1721 37.1896 178.2230 618 L 4.0552 8.6019 121.3893 58.5787 41.9909 178.8990 619 T 4.1684 8.3805 117.3250 66.1452 68.1773 175.5214 620 E 3.8858 8.0458 119.5527 59.9049 29.6510 178.3793 621 E 4.1271 8.6202 118.8385 58.2944 29.9537 177.7982 622 L 4.6931 8.4373 116.1629 53.3790 43.4090 177.5542 623 G 3.8905 8.1507 106.6533 45.5538 0.0000 173.2320 624 I 4.1723 7.3351 121.2119 59.7105 38.2228 175.3463 625 R 4.1345 8.4899 124.7597 56.8742 30.9520 175.5900 626 T 5.1582 8.3284 116.8903 60.4786 70.9422 172.8475 627 K 4.5880 8.9066 125.6152 54.8640 36.5320 175.2471 628 T 5.1792 8.3828 119.2797 61.8026 71.4805 173.4802 629 V 4.6152 9.0781 125.7739 61.3809 34.6223 174.6009 630 T 5.1048 8.3353 117.4362 59.0846 69.2267 173.0693 *632 V 4.2166 8.0713 126.9473 63.1115 32.8834 174.1330 633 S 4.8119 8.2100 119.6488 55.8333 66.6589 174.9922 634 T 3.8726 8.6056 117.0493 66.4834 68.0050 174.6173 635 P 4.1807 0.0000 0.0000 65.6335 31.1754 178.6773 636 V 3.4527 7.8651 118.1704 65.8103 31.2893 177.8588 637 V 3.5778 7.8052 116.1580 66.0633 31.2720 177.1264 638 L 4.0640 7.8068 118.6591 58.1887 42.2619 178.0868 639 E 4.0609 8.4783 119.1957 59.3681 29.5283 178.5649 640 A 3.8486 7.8673 118.2933 53.8101 18.6793 178.7536 *642 R 4.1818 7.8354 119.1632 57.1647 32.2166 177.9814 643 K 3.9867 8.2484 116.7960 59.2240 32.5769 179.5843 644 A 4.0378 8.3991 122.4553 55.0737 18.3442 179.3175 645 S 4.5487 7.7905 107.3365 59.3115 63.6078 174.9077 646 L 4.1138 7.4679 120.5076 55.6931 41.5797 177.5530 647 G 3.9103 8.2399 107.2806 45.6767 0.0000 174.1673 648 R 4.1939 7.5534 117.4127 55.0316 30.9079 177.6439 649 G 3.8130 8.3619 106.5482 44.3586 0.0000 174.4447 650 L 3.9952 8.4840 123.3709 58.1659 42.1455 179.2415 651 E 4.0239 8.2130 117.7871 59.5410 29.4888 178.5717 652 D 4.3811 8.1553 117.2974 57.7641 41.3446 178.4114 653 I 3.8350 8.2631 120.5297 64.2381 37.0249 177.6053 654 Y 4.1511 8.3392 120.7080 60.8504 38.6709 177.9089 655 Q 3.7921 8.3471 118.6764 59.3002 28.7185 179.2806 656 S 4.0663 7.7312 114.3338 62.1165 63.2379 176.4380 657 C 4.2072 7.8168 118.1907 63.2028 28.1259 176.1834 658 E 4.0698 7.8539 119.8174 59.4685 28.8905 179.3663 659 Q 3.9677 8.1131 119.6654 59.1939 29.1335 178.0091 660 L 3.8560 7.8797 119.9537 57.9389 41.3054 179.8374 661 F 4.0618 7.9690 116.2586 60.6406 39.2274 177.1618 662 E 4.1379 7.9838 116.3367 59.6841 29.2255 178.7029 663 N 4.3522 8.3525 116.0261 54.4541 38.9842 175.1050 664 K 4.2285 8.0382 125.6785 56.8803 33.8073 174.1897 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 539 S 8.33 4.32 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.44 0.00 3.02 2.82 0.00 0.00 6.72 6.47 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 0.00 541 A 9.29 4.57 1.27 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 0.00 0.00 542 Q 7.45 4.73 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 543 V 8.39 3.95 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 0.80 0.00 0.00 1.06 0.00 0.00 544 E 8.86 4.39 0.00 1.98 1.86 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 2.31 2.40 0.00 545 V 8.43 4.82 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 1.13 0.00 0.00 0.96 0.00 0.00 546 I 8.97 4.97 1.91 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 1.13 0.94 0.95 0.00 0.00 547 V 8.73 5.26 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 1.41 0.00 0.00 0.95 0.00 0.00 *550 H 8.56 4.55 0.00 3.15 3.28 0.00 5.91 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 0.00 551 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.15 0.00 1.82 2.01 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 553 S 7.63 5.08 0.00 3.95 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 0.00 554 T 8.31 3.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 555 A 8.34 4.16 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 0.00 556 T 8.39 4.00 4.28 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 1.22 0.00 0.00 557 S 8.13 4.33 0.00 3.90 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 0.00 *559 V 7.96 3.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 560 E 8.60 4.05 0.00 2.00 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 2.64 0.00 561 T 7.96 3.92 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 1.21 0.00 0.00 562 V 7.73 3.62 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 1.07 0.00 0.00 0.93 0.00 0.00 563 Q 8.51 4.09 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 564 E 8.00 3.97 0.00 2.16 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 2.30 2.34 0.00 565 L 7.95 4.00 0.00 1.81 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 566 L 7.94 4.41 0.00 1.62 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 567 S 7.55 3.78 0.00 3.98 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 0.00 568 I 7.54 4.67 1.87 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 1.30 0.67 0.94 0.00 0.00 569 E 8.51 4.51 0.00 1.95 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 2.21 2.25 0.00 570 S 7.76 4.33 0.00 3.98 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 0.00 571 G 8.76 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 I 8.63 4.69 1.88 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 1.17 0.53 0.92 0.00 0.00 573 A 8.66 5.16 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 0.00 574 L 8.97 4.58 0.00 1.50 1.62 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 575 D 8.32 4.67 0.00 2.71 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *577 P 0.00 4.39 0.00 2.21 2.04 0.00 3.61 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 2.02 2.12 0.00 578 L 8.37 4.35 0.00 1.65 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 579 T 7.69 4.18 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 0.00 580 V 7.34 3.92 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 581 E 8.57 4.28 0.00 2.08 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 2.42 2.26 0.00 582 V 8.51 3.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 583 K 8.19 3.91 0.00 1.85 1.81 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.48 7.81 584 A 7.73 4.09 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 *586 Y 7.99 4.08 0.00 2.03 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 0.00 587 E 8.31 3.76 0.00 2.32 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 2.32 2.32 0.00 588 K 8.14 3.90 0.00 1.97 1.81 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 589 L 7.66 3.87 0.00 1.86 1.61 0.97 0.77 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 0.00 590 K 7.50 3.61 0.00 1.69 1.63 0.00 1.72 0.00 0.00 0.93 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.18 7.81 591 Q 7.79 3.96 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 592 T 7.75 3.96 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 1.21 0.00 0.00 593 V 7.84 3.54 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 1.07 0.00 0.00 0.94 0.00 0.00 594 V 7.36 3.55 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 0.86 0.00 0.00 0.89 0.00 0.00 595 K 7.67 4.35 0.00 1.92 1.82 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.59 7.81 596 L 7.97 4.30 0.00 1.70 1.70 0.92 1.19 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 0.00 597 N 8.00 4.07 0.00 2.80 2.79 0.00 0.00 7.07 7.69 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 0.00 598 P 0.00 4.63 0.00 2.33 2.21 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 599 V 7.70 3.55 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 0.82 0.00 0.00 1.04 0.00 0.00 600 K 7.91 4.17 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 601 G 8.29 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 0.00 0.00 0.00 602 V 8.55 4.84 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 0.99 0.00 0.00 0.94 0.00 0.00 603 L 9.05 5.03 0.00 1.82 1.56 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 604 I 8.89 4.80 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.97 0.00 0.00 605 L 9.54 5.24 0.00 1.54 1.64 0.96 0.47 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 0.00 606 S 9.26 5.14 0.00 3.78 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 0.00 607 D 8.87 4.44 0.00 2.78 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 *609 G 7.52 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 0.00 610 S 8.61 4.08 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 L 7.65 2.74 0.00 1.53 1.55 0.81 0.31 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 0.00 612 T 7.64 3.67 4.57 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 1.19 0.00 0.00 613 S 8.02 4.69 0.00 4.05 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 0.00 614 F 7.82 4.49 0.00 3.22 3.31 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 0.00 615 G 8.38 3.79 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 0.00 0.00 0.00 616 N 8.22 4.42 0.00 2.99 2.89 0.00 0.00 7.05 7.45 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 0.00 617 I 7.65 3.69 1.91 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 1.31 0.69 0.53 0.00 0.00 618 L 8.60 4.06 0.00 2.04 1.92 0.77 0.81 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 0.00 619 T 8.38 4.17 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 1.21 0.00 0.00 620 E 8.05 3.89 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 621 E 8.62 4.13 0.00 2.16 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 2.35 2.38 0.00 622 L 8.44 4.69 0.00 1.73 1.64 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 623 G 8.15 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 0.00 0.00 0.00 624 I 7.34 4.17 1.87 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 1.41 0.97 0.91 0.00 0.00 625 R 8.49 4.13 0.00 1.76 1.85 0.00 3.07 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 626 T 8.33 5.16 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 1.20 0.00 0.00 627 K 8.91 4.59 0.00 1.60 1.21 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.66 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.34 7.81 628 T 8.38 5.18 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 1.31 0.00 0.00 629 V 9.08 4.62 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 1.24 0.00 0.00 1.16 0.00 0.00 630 T 8.34 5.10 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 1.20 0.00 0.00 *632 V 8.07 4.22 2.26 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 0.87 0.00 0.00 1.07 0.00 0.00 633 S 8.21 4.81 0.00 3.96 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 0.00 634 T 8.61 3.87 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 635 P 0.00 4.18 0.00 2.16 2.24 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 636 V 7.87 3.45 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 1.05 0.00 0.00 0.71 0.00 0.00 637 V 7.81 3.58 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 0.90 0.00 0.00 0.95 0.00 0.00 638 L 7.81 4.06 0.00 1.69 1.85 0.91 1.19 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 0.00 639 E 8.48 4.06 0.00 2.05 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 2.28 2.37 0.00 640 A 7.87 3.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *642 R 7.84 4.18 0.00 2.08 2.15 0.00 3.18 0.00 0.00 3.49 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 643 K 8.25 3.99 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.56 7.81 644 A 8.40 4.04 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 0.00 645 S 7.79 4.55 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.11 0.00 1.78 1.76 0.92 0.92 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 0.00 647 G 8.24 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 0.00 648 R 7.55 4.19 0.00 1.87 1.89 0.00 3.35 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 649 G 8.36 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 0.00 650 L 8.48 4.00 0.00 1.95 1.70 0.93 0.95 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 0.00 651 E 8.21 4.02 0.00 2.05 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 2.42 2.35 0.00 652 D 8.16 4.38 0.00 2.73 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 0.00 653 I 8.26 3.83 1.94 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 1.44 1.01 0.96 0.00 0.00 654 Y 8.34 4.15 0.00 3.14 3.23 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 0.00 655 Q 8.35 3.79 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.43 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 656 S 7.73 4.07 0.00 4.05 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 0.00 657 C 7.82 4.21 0.00 3.08 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 0.00 658 E 7.85 4.07 0.00 1.73 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 0.00 1.47 2.11 0.00 659 Q 8.11 3.97 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 660 L 7.88 3.86 0.00 1.58 1.42 0.80 0.80 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 0.00 661 F 7.97 4.06 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 4.14 0.00 2.14 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 2.39 2.53 0.00 663 N 8.35 4.35 0.00 2.71 2.79 0.00 0.00 7.18 7.17 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 0.00 664 K 8.04 4.23 0.00 1.97 1.84 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.