NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 541 S 4.4995 8.3193 117.1021 57.4970 64.6633 174.1896 542 N 4.7176 7.9716 114.3088 51.3172 37.9687 172.8957 543 A 4.0106 8.8338 123.2466 52.9690 19.4331 178.6887 544 N 4.5761 8.5476 118.9123 52.5915 39.4879 174.7703 545 V 3.8794 8.3623 120.9587 63.7380 32.4049 175.4374 546 G 4.0167 8.9635 115.2316 45.5041 0.0000 172.4307 547 V 4.9370 8.2311 125.6707 61.3140 33.8355 174.1923 548 F 5.2562 9.4613 126.7668 55.6276 42.3541 174.2108 549 V 4.9084 9.3273 124.0765 61.3168 33.4040 174.3254 550 L 4.9991 8.9772 127.9752 53.2146 45.4768 175.7698 *552 H 4.5683 8.7164 118.1113 56.9179 29.8051 172.6065 553 G 3.8358 8.7431 107.7368 44.5684 0.0000 173.3212 554 D 4.5600 8.5204 117.9646 57.0421 41.1264 178.8076 555 S 4.7980 7.6463 108.8473 59.5976 64.5767 175.9852 556 T 3.7813 8.2295 118.5569 67.2997 68.4731 175.5488 557 A 4.1956 8.2665 122.5063 55.2927 18.4541 178.9092 558 S 4.2676 8.2861 110.2759 61.5667 63.4369 176.9726 559 S 4.1211 8.2761 114.3665 58.2575 61.6369 175.3673 *561 L 4.2160 8.0682 122.2313 54.4265 43.7158 178.4440 562 K 3.8874 8.4039 119.3911 59.8141 31.9426 178.5657 563 T 3.8350 7.9483 115.6563 66.8036 68.3545 176.2415 564 A 3.9733 7.9428 121.7644 55.3766 18.5175 179.5224 565 Q 3.9212 8.4603 116.9249 59.1672 28.9120 178.9619 566 E 4.0065 8.5590 119.9834 59.2809 29.3021 179.2984 567 L 4.0832 8.0694 118.5144 57.3713 41.7980 178.7788 568 L 4.4043 8.1904 116.7724 53.7889 42.2006 176.7965 569 G 3.9223 7.6976 105.7739 46.9230 0.0000 173.3525 570 T 4.6852 7.8089 111.9769 59.9611 70.4499 173.1672 571 S 4.7069 8.4642 118.3511 57.8208 63.4087 174.2469 572 I 3.9013 7.2511 114.2478 61.3879 38.2277 176.3750 573 G 3.8984 9.0459 107.0471 46.0687 0.0000 173.1513 574 T 4.3775 8.1991 115.8740 61.3862 71.8203 173.7756 575 A 5.4331 8.1695 128.1648 49.5962 22.4308 174.5438 *577 N 4.5513 8.2069 113.0137 52.7660 38.1085 172.0750 *579 P 4.2720 0.0000 0.0000 63.2732 32.4871 177.5564 580 L 4.2522 8.4056 118.6049 57.7989 41.9613 178.6460 581 T 4.1664 6.9415 110.4642 60.2356 67.1236 173.5847 *583 E 4.1511 7.7285 126.3519 56.6050 31.3768 177.2645 584 V 3.7513 8.6618 122.0133 66.3056 31.9797 177.1390 585 Q 4.1807 8.3354 120.1689 59.6261 29.3030 178.8084 586 T 3.6846 7.6957 111.4060 64.5286 68.2410 175.2169 *588 Y 3.5872 8.0075 124.5851 57.3744 40.4929 177.0557 589 E 3.8246 8.0095 119.1344 59.1209 29.2499 179.3163 590 Q 3.8992 7.7886 117.8304 58.8038 28.7474 178.7145 591 L 3.7605 7.4593 120.6538 58.0336 42.1721 178.6421 592 R 3.4704 7.5317 118.9531 59.4157 29.9332 178.1410 593 N 4.2230 7.9784 116.1869 56.3016 38.4857 177.2516 594 Q 3.9447 7.7746 121.0288 58.9760 28.9768 177.9886 595 V 3.5204 7.4775 118.3346 66.2611 31.3865 177.7038 596 I 3.8081 7.9567 119.5728 64.5880 36.6903 178.3779 597 T 3.9389 7.4548 114.8705 66.6634 68.5468 175.8024 598 Q 4.4931 7.8749 117.9102 55.6218 28.9174 177.3321 599 K 3.8560 7.6231 123.8156 60.1548 31.9259 178.3866 600 E 4.1654 8.2141 116.0816 58.1912 29.5400 178.0768 601 S 4.7080 8.0722 112.9127 57.9101 63.9262 174.1788 602 L 4.8758 7.7046 123.4758 54.6228 42.2180 178.3983 603 N 4.4426 8.4430 117.6252 55.7213 38.7691 175.9845 604 N 4.7675 8.3840 113.8476 52.7454 39.2070 174.7572 605 G 4.0288 8.3963 105.6892 44.8275 0.0000 172.5793 606 I 5.1909 8.7743 118.4671 59.2598 41.1522 174.7631 607 L 5.2168 9.4699 128.6321 53.4415 44.3795 174.8784 608 L 5.0752 9.0034 127.5322 53.7211 43.4992 175.6153 609 L 5.2818 9.2785 125.3576 53.3870 43.8139 175.8418 610 T 5.7327 9.3560 114.2241 59.3584 72.2640 174.0959 611 D 4.3703 8.8827 119.7661 55.1257 40.0192 177.2152 *613 G 3.9196 7.6688 109.7476 44.7846 0.0000 174.1701 614 S 4.0851 8.4966 115.4034 60.4784 62.9934 175.9045 615 L 2.6969 7.1710 122.0851 57.3658 41.2412 178.8397 616 N 4.3321 7.9363 116.7146 56.3290 38.4467 176.6587 617 S 4.2630 7.8987 115.2896 61.0629 62.5992 176.4766 618 F 4.8698 7.9837 121.2040 60.2249 38.9763 177.3937 619 G 3.9300 8.2799 105.8298 47.6858 0.0000 176.9606 620 N 4.8564 7.6450 121.3509 53.0866 38.6598 176.9053 *622 L 4.3660 8.1097 117.9651 54.5033 44.0891 179.1459 623 F 4.4152 8.1974 121.0201 60.9089 39.0586 176.9024 624 E 3.7069 8.2917 117.0001 59.3940 29.3289 178.7535 625 E 4.0789 8.0760 117.8254 58.6133 30.0314 177.6458 626 T 4.3817 8.2277 107.8427 60.6558 70.1950 175.7442 627 G 3.5095 7.9720 108.9562 45.3433 0.0000 173.3751 628 I 4.0815 7.6428 122.0429 60.3767 37.9241 175.5607 629 R 4.2844 8.8288 124.4736 57.1925 30.9086 175.7375 630 T 5.2492 8.4301 119.4491 61.7332 72.4072 173.3389 631 K 4.7031 9.0179 124.1370 54.4480 35.5767 174.9022 632 A 5.3179 8.6798 124.5473 50.2493 21.9458 175.4484 633 I 4.5541 9.0457 122.8280 59.5811 40.8529 175.0431 634 T 4.8474 8.3913 117.9472 60.4019 68.8362 174.0722 *636 T 4.3473 8.1963 122.8786 63.6328 70.0572 173.3636 637 S 4.7670 8.2825 118.4671 56.1964 65.8789 174.5263 638 T 3.5701 8.3692 114.9825 64.6676 68.4863 176.2966 *640 I 3.9869 7.9131 123.9064 61.4950 39.2325 178.1147 641 V 3.5652 7.7733 119.3254 65.9137 31.2248 177.5574 642 L 3.9166 8.1578 120.2431 58.5115 41.7018 178.9071 643 E 3.9454 8.0841 116.0891 59.1441 29.4930 178.8443 644 A 4.1604 8.0452 120.1992 55.3551 18.7531 179.4942 645 I 3.8500 8.0212 118.6542 64.3125 37.1425 178.5923 646 R 3.9044 7.9722 115.2754 57.7717 29.5526 177.5130 *648 A 4.3866 7.8545 121.5574 52.2849 20.2652 179.6931 649 S 4.1613 8.3341 108.8576 60.5930 63.1391 175.3962 650 V 4.1304 7.4150 111.9288 60.9689 31.4254 176.4258 651 G 3.9477 8.2862 107.5002 45.8673 0.0000 174.6252 652 R 4.0808 7.7663 117.8538 55.6483 30.8400 177.4044 653 S 4.4170 8.3743 116.0620 57.8002 65.2266 174.9523 654 L 3.9782 8.5251 124.0938 58.7266 41.7176 179.2225 655 E 3.9838 8.1096 117.7639 59.4550 29.5018 178.6853 656 D 4.3797 8.1553 118.1101 57.2992 41.2608 178.3985 657 I 3.7425 8.0130 120.4297 64.5526 37.1280 177.7267 658 Y 4.0376 8.3540 120.6390 60.6840 38.5928 177.9922 659 Q 3.9830 8.3952 120.4142 59.4437 29.2832 177.9869 660 N 4.3856 8.2473 117.4733 56.2962 38.4762 177.5834 661 I 3.7404 7.9941 121.4882 64.2365 37.1199 178.0709 662 Q 3.9656 8.1044 120.5300 59.3290 28.7524 178.5034 663 L 3.9970 8.0986 119.8671 57.7916 41.7058 179.7646 664 S 4.0511 7.9808 115.1097 61.5259 62.7541 176.5974 665 F 3.9764 8.2825 120.4331 60.6927 38.6743 177.5313 666 E 4.0133 8.5282 118.2428 59.5660 29.1616 179.5069 667 S 4.1251 8.3588 115.3972 61.7959 62.8425 177.0956 668 V 3.5687 7.7002 120.3248 65.8282 31.1809 178.1176 669 V 3.6328 8.0261 118.1894 66.0517 31.2394 178.0985 670 R 3.9939 8.0682 118.3821 59.3268 29.9831 177.9055 671 E 3.9417 8.4541 119.4058 59.5444 29.6394 178.8681 672 Q 3.9926 8.4718 118.3083 58.8194 28.5523 178.3594 673 F 4.2344 8.3867 120.9331 61.7054 39.6021 177.2037 674 R 3.7499 8.3638 117.7099 59.1791 29.3393 179.3089 675 S 4.1101 8.1123 115.4467 61.3282 62.6344 176.5113 676 S 3.9186 7.8842 115.4605 60.4814 62.6695 176.0201 677 L 4.0872 7.3044 125.3030 57.8900 41.6184 177.2884 678 Q 4.1548 7.3642 120.4567 55.1030 28.1402 177.5292 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 541 S 8.32 4.50 0.00 3.65 3.85 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 0.00 542 N 7.97 4.72 0.00 2.86 2.92 0.00 0.00 5.94 6.38 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 0.00 543 A 8.83 4.01 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 0.00 544 N 8.55 4.58 0.00 2.77 2.82 0.00 0.00 6.74 7.68 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 0.00 545 V 8.36 3.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.10 0.00 0.00 546 G 8.96 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 547 V 8.23 4.94 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 1.02 0.00 0.00 0.95 0.00 0.00 548 F 9.46 5.26 0.00 2.99 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 0.00 549 V 9.33 4.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 550 L 8.98 5.00 0.00 1.73 1.59 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *552 H 8.72 4.57 0.00 3.22 3.31 0.00 5.86 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 0.00 553 G 8.74 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 D 8.52 4.56 0.00 2.70 2.75 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 0.00 555 S 7.65 4.80 0.00 3.96 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 0.00 556 T 8.23 3.78 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 1.23 0.00 0.00 557 A 8.27 4.20 1.40 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 0.00 0.00 0.00 558 S 8.29 4.27 0.00 4.04 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 0.00 559 S 8.28 4.12 0.00 3.93 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 *561 L 8.07 4.22 0.00 1.87 1.83 0.89 0.53 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 0.00 562 K 8.40 3.89 0.00 1.92 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 563 T 7.95 3.84 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 1.20 0.00 0.00 564 A 7.94 3.97 1.30 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 0.00 565 Q 8.46 3.92 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 566 E 8.56 4.01 0.00 1.99 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 2.46 0.00 567 L 8.07 4.08 0.00 1.72 1.72 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 568 L 8.19 4.40 0.00 1.59 1.70 0.93 1.20 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 0.00 569 G 7.70 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 T 7.81 4.69 4.23 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 1.20 0.00 0.00 571 S 8.46 4.71 0.00 3.96 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 0.00 572 I 7.25 3.90 1.82 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 1.21 0.56 0.89 0.00 0.00 573 G 9.05 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 0.00 0.00 0.00 574 T 8.20 4.38 3.52 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 1.33 0.00 0.00 575 A 8.17 5.43 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 *577 N 8.21 4.55 0.00 2.78 3.07 0.00 0.00 6.78 8.02 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 *579 P 0.00 4.27 0.00 2.26 2.35 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 580 L 8.41 4.25 0.00 1.68 1.80 0.94 0.92 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 0.00 581 T 6.94 4.17 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 *583 E 7.73 4.15 0.00 2.11 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 2.33 0.00 584 V 8.66 3.75 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 1.00 0.00 0.00 0.98 0.00 0.00 585 Q 8.34 4.18 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 586 T 7.70 3.68 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 1.22 0.00 0.00 *588 Y 8.01 3.59 0.00 1.94 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 0.00 589 E 8.01 3.82 0.00 2.15 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 2.34 2.57 0.00 590 Q 7.79 3.90 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 591 L 7.46 3.76 0.00 1.65 1.44 0.41 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 592 R 7.53 3.47 0.00 0.69 1.36 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.87 0.00 593 N 7.98 4.22 0.00 2.85 2.79 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 0.00 594 Q 7.77 3.94 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 595 V 7.48 3.52 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 0.80 0.00 0.00 0.38 0.00 0.00 596 I 7.96 3.81 1.87 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 1.47 0.79 0.88 0.00 0.00 597 T 7.45 3.94 4.44 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 1.22 0.00 0.00 598 Q 7.87 4.49 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 599 K 7.62 3.86 0.00 1.96 1.85 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 600 E 8.21 4.17 0.00 1.99 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 2.32 2.31 0.00 601 S 8.07 4.71 0.00 4.01 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 0.00 602 L 7.70 4.88 0.00 1.89 1.74 1.09 0.80 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 0.00 603 N 8.44 4.44 0.00 2.76 2.91 0.00 0.00 7.03 8.00 0.00 0.00 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 N 8.38 4.77 0.00 2.71 2.82 0.00 0.00 7.20 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 0.00 605 G 8.40 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 606 I 8.77 5.19 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 1.02 0.00 0.00 607 L 9.47 5.22 0.00 1.80 1.62 1.16 0.77 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 0.00 608 L 9.00 5.08 0.00 1.74 1.70 1.12 0.71 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 0.00 609 L 9.28 5.28 0.00 1.61 1.65 0.97 0.46 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 0.00 610 T 9.36 5.73 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 1.23 0.00 0.00 611 D 8.88 4.37 0.00 2.69 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 *613 G 7.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 S 8.50 4.09 0.00 3.83 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 0.00 615 L 7.17 2.70 0.00 1.61 1.39 0.94 0.23 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 0.00 616 N 7.94 4.33 0.00 2.77 2.78 0.00 0.00 6.97 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 0.00 617 S 7.90 4.26 0.00 4.15 4.11 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 0.00 618 F 7.98 4.87 0.00 3.18 3.25 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 0.00 619 G 8.28 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 0.00 620 N 7.65 4.86 0.00 3.02 2.83 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *622 L 8.11 4.37 0.00 2.14 1.81 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 623 F 8.20 4.42 0.00 3.19 3.26 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 0.00 624 E 8.29 3.71 0.00 1.94 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 2.80 2.50 0.00 625 E 8.08 4.08 0.00 2.00 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 2.28 2.36 0.00 626 T 8.23 4.38 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 1.17 0.00 0.00 627 G 7.97 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.08 1.92 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 1.31 1.07 0.98 0.00 0.00 629 R 8.83 4.28 0.00 1.80 1.84 0.00 3.04 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 630 T 8.43 5.25 4.47 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 1.32 0.00 0.00 631 K 9.02 4.70 0.00 1.71 1.66 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.52 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 1.29 7.81 632 A 8.68 5.32 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 0.00 633 I 9.05 4.55 1.95 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 1.21 0.89 0.93 0.00 0.00 634 T 8.39 4.85 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 1.19 0.00 0.00 *636 T 8.20 4.35 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 1.27 0.00 0.00 637 S 8.28 4.77 0.00 3.77 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 0.00 638 T 8.37 3.57 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 *640 I 7.91 3.99 1.99 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.63 0.99 0.00 0.00 641 V 7.77 3.57 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 1.09 0.00 0.00 0.95 0.00 0.00 642 L 8.16 3.92 0.00 1.84 1.63 0.91 0.88 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 0.00 643 E 8.08 3.95 0.00 1.95 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 2.29 2.34 0.00 644 A 8.05 4.16 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 0.00 645 I 8.02 3.85 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.89 0.00 0.00 646 R 7.97 3.90 0.00 2.00 2.02 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 *648 A 7.85 4.39 1.45 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 0.00 0.00 0.00 649 S 8.33 4.16 0.00 3.97 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 0.00 650 V 7.42 4.13 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 0.74 0.00 0.00 0.97 0.00 0.00 651 G 8.29 3.95 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 0.00 0.00 0.00 652 R 7.77 4.08 0.00 1.83 1.90 0.00 3.39 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 653 S 8.37 4.42 0.00 4.06 4.01 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 0.00 654 L 8.53 3.98 0.00 1.80 1.73 1.02 0.89 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 0.00 655 E 8.11 3.98 0.00 2.11 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 2.37 0.00 656 D 8.16 4.38 0.00 2.76 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 0.00 657 I 8.01 3.74 2.08 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 1.44 0.60 0.97 0.00 0.00 658 Y 8.35 4.04 0.00 3.20 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 0.00 659 Q 8.40 3.98 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 660 N 8.25 4.39 0.00 2.81 2.86 0.00 0.00 7.10 7.19 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 0.00 661 I 7.99 3.74 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 1.09 0.00 0.00 662 Q 8.10 3.97 0.00 1.86 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 663 L 8.10 4.00 0.00 1.91 1.71 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 664 S 7.98 4.05 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 F 8.28 3.98 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 666 E 8.53 4.01 0.00 2.10 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 2.58 2.51 0.00 667 S 8.36 4.13 0.00 3.97 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 0.00 668 V 7.70 3.57 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 1.09 0.00 0.00 0.84 0.00 0.00 669 V 8.03 3.63 2.27 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 1.03 0.00 0.00 1.02 0.00 0.00 670 R 8.07 3.99 0.00 1.94 2.11 0.00 3.36 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 671 E 8.45 3.94 0.00 2.15 2.09 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 2.31 2.36 0.00 672 Q 8.47 3.99 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 673 F 8.39 4.23 0.00 3.01 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 0.00 674 R 8.36 3.75 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 675 S 8.11 4.11 0.00 3.99 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 0.00 676 S 7.88 3.92 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 L 7.30 4.09 0.00 1.55 1.60 0.52 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 678 Q 7.36 4.15 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.