NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 533 P 4.1559 0.0000 0.0000 61.4802 33.6879 176.6291 534 K 4.3322 7.3661 119.0437 51.6679 33.7747 179.5204 535 F 5.0219 9.0269 125.0595 57.3249 40.3321 175.0872 536 T 4.2683 9.2583 122.0737 63.4878 67.9112 174.7568 537 K 4.3199 7.5220 119.0978 56.0652 35.2636 173.5120 538 C 5.5337 8.6180 123.7011 55.4508 38.6645 173.3174 539 R 4.8196 8.6550 116.7442 55.3990 33.0598 173.4576 540 S 5.2026 9.8146 117.7462 55.2633 64.2799 173.1282 541 P 5.4455 0.0000 0.0000 64.2736 31.7021 177.0526 542 E 4.5171 7.7021 112.5169 55.1397 30.7936 176.2352 543 R 3.9196 8.1105 117.1047 56.5044 28.5427 176.1294 544 E 4.8121 8.1055 117.0012 56.6284 32.2131 175.4212 545 T 5.5588 8.3999 108.2280 60.0677 73.0962 172.5421 546 F 5.0801 8.4426 115.7381 56.2574 41.6670 173.0023 547 S 5.1021 8.8297 113.3904 56.8922 66.8202 172.0705 548 C 5.5472 9.2684 118.5798 55.6888 42.6391 172.8495 549 H 5.1447 8.8730 118.4883 54.1119 33.0872 172.0258 550 W 5.5916 7.8775 116.2146 56.2203 31.4640 174.2314 551 T 4.4806 9.0578 110.7161 62.5093 68.4434 176.1726 *564 I 3.8231 7.4811 119.8074 60.4704 35.9803 177.1917 565 Q 4.9147 7.7045 125.5287 53.5520 32.2165 174.0581 566 L 5.2631 8.5405 120.0830 53.5276 45.4355 175.0581 567 F 5.5920 9.8469 124.4036 55.8773 42.6966 173.6943 568 Y 5.7284 9.1835 120.4470 55.9464 41.8912 174.0510 569 T 4.7001 8.4619 113.8366 61.1741 71.6363 172.0843 570 R 5.0728 7.9615 124.3851 54.1923 34.5490 175.1517 571 R 4.5055 8.2211 116.8923 55.7718 32.7037 171.2137 572 N 4.3463 9.0481 119.0353 53.6209 35.2643 175.5987 *579 E 4.1540 7.7800 114.4628 55.9355 30.1611 178.9171 580 W 4.3436 8.2618 123.9431 55.8265 30.3954 175.2865 581 K 4.7207 8.8832 124.0328 54.6567 35.6043 174.5202 582 E 4.2858 8.5351 124.5262 54.2678 31.4716 175.7007 583 C 3.7190 7.9995 124.2554 56.8197 43.2222 172.4234 584 P 3.9839 0.0000 0.0000 64.3388 31.5162 176.1419 585 D 4.4542 7.2126 118.0002 53.3767 42.7948 174.6079 586 Y 4.4210 8.6115 124.8881 59.0621 38.9021 177.3464 587 V 3.9428 7.8403 119.5402 63.9244 32.5955 178.6546 588 S 3.7238 8.4895 117.9868 60.4895 62.6877 175.6179 589 A 4.3520 7.7640 120.5317 51.8678 19.2211 178.3758 590 G 3.8021 8.4519 106.8726 46.3044 0.0000 173.3068 591 E 4.5408 8.3069 119.3293 55.6050 32.4413 175.0192 592 N 3.9398 8.5239 116.0993 53.3774 35.9192 174.2750 593 S 4.2741 7.1293 109.2977 57.2776 66.3893 174.9669 594 C 4.7688 9.3209 124.4474 55.0116 45.4272 171.3784 595 Y 4.8315 8.3683 128.1243 55.8337 40.2294 174.7320 596 F 4.5302 7.9446 125.4986 55.3358 41.4794 175.5590 597 N 4.3447 8.2386 122.9434 52.4886 37.3813 175.2802 598 S 5.1732 8.8083 110.5462 60.5363 62.7408 176.7316 599 S 4.0356 7.6394 113.2580 60.5838 62.7925 174.9368 600 F 4.8753 7.7146 115.5012 57.2954 39.5602 175.2809 601 T 4.5829 7.6280 118.9775 61.8773 69.2428 173.5525 602 S 5.0390 8.2715 119.6966 56.4542 65.5068 173.5561 603 I 3.6979 7.6739 124.1437 61.6362 37.7648 176.5514 604 W 4.4812 6.6048 120.7313 59.0689 29.4619 175.9485 605 I 4.0029 7.6304 112.5677 59.5586 38.2211 174.2204 606 P 4.5323 0.0000 0.0000 63.2711 32.6420 174.4817 607 Y 4.7153 8.5671 117.7633 56.3055 41.7781 174.1528 608 C 5.5355 8.6254 118.5656 55.2068 44.2282 173.2447 609 I 5.7700 9.1873 116.5096 59.2879 40.7289 174.7921 610 K 4.9050 10.2133 123.0874 55.0500 34.9664 176.8017 611 L 4.3987 8.6507 124.6366 55.0804 43.4006 176.2852 *621 K 4.2927 7.6194 118.4933 56.3577 33.7456 175.1171 622 C 5.5825 8.9410 123.2016 55.5695 38.7427 173.1723 623 F 4.9349 8.6363 119.4867 55.2643 41.1437 173.2258 624 S 4.6831 8.7834 110.9232 57.0846 65.9148 174.6518 625 V 3.1483 8.4584 123.7904 66.2452 30.9446 177.7814 626 D 4.1702 7.8610 118.6676 57.2195 40.8996 178.4992 627 E 3.9560 8.5627 119.5727 58.6925 29.5599 177.8162 628 I 4.1193 7.2929 112.5138 60.6449 38.8700 175.5067 629 V 4.8111 7.5671 122.8462 62.7430 33.5494 174.3724 630 Q 4.6979 9.0653 126.9780 53.6594 32.5271 172.7854 631 P 5.5111 0.0000 0.0000 61.1636 33.3724 175.7317 632 D 4.5264 8.5539 121.0291 53.8790 41.4940 174.4282 633 P 4.6930 0.0000 0.0000 61.4962 32.1155 174.8886 634 P 4.7701 0.0000 0.0000 63.2980 32.5411 174.8123 635 I 4.6465 8.3383 113.6650 59.0143 41.3095 174.6348 636 A 3.9543 8.7053 121.1852 53.1173 16.0345 177.2509 637 L 4.7465 8.0772 118.3458 56.1994 42.7234 177.0766 638 N 4.6201 8.2700 118.3659 52.5297 40.8655 173.2015 639 W 5.6792 8.7290 116.6862 54.4638 31.9367 174.6543 640 T 4.3741 8.3982 115.0896 61.6834 72.2253 173.6289 641 L 4.4893 8.6359 128.6022 55.9047 42.5557 175.9154 642 L 4.6043 9.0670 126.0816 54.4238 42.0682 176.4040 643 N 4.2781 7.5099 113.5779 52.5697 39.1596 173.3433 644 V 4.4218 8.2742 119.8763 60.9625 33.2178 176.0126 645 S 4.2988 8.7455 122.0251 58.1228 63.4977 175.2629 646 L 3.9390 8.6654 123.2476 59.3475 40.2281 178.6514 647 T 3.9032 7.9539 107.4443 61.6791 68.4610 176.1862 648 G 4.1216 8.4236 112.0617 46.6403 0.0000 175.8955 649 I 3.7623 7.5980 120.6401 64.2397 38.1211 175.8761 650 H 5.6039 8.0412 113.7077 53.9824 33.3865 172.6561 651 A 5.0793 8.7900 120.5732 50.4930 23.2533 174.7413 652 D 5.4697 8.6968 118.7709 52.5324 44.8866 175.3205 653 I 5.2771 8.7724 115.1768 59.2621 42.3303 173.5515 654 Q 4.8352 9.5460 122.9736 54.3180 31.6948 174.0359 655 V 4.6524 8.8106 129.6801 62.7090 33.3574 175.5244 656 R 5.1643 9.2616 128.1181 55.1185 33.4479 171.5393 657 W 5.5400 8.3472 117.2905 55.9110 31.8050 172.9707 658 E 4.8223 8.9988 120.8479 54.0138 31.6455 175.1889 659 A 4.7991 8.6844 127.3405 51.1868 19.6501 175.3998 660 P 4.2984 0.0000 0.0000 63.1818 31.8649 177.9607 661 R 3.7968 9.0309 122.8100 58.8142 30.1715 177.2597 662 N 4.5438 8.0338 112.8418 53.2838 38.2272 174.9507 663 A 4.0599 8.4195 123.6848 52.1243 18.4245 176.4800 664 D 4.6689 8.5611 123.8193 53.4253 41.3283 176.0499 665 I 3.9059 7.7591 126.8629 62.9064 38.6927 177.1414 666 Q 4.0614 8.1960 125.9565 58.7803 29.0163 178.8808 667 K 3.9026 7.3482 119.4227 52.7903 31.5788 182.7306 668 G 4.2210 8.7155 112.0473 45.5406 0.0000 174.7275 669 W 5.3080 8.2042 128.8036 59.8042 30.9520 175.2393 670 M 4.4072 8.0775 118.3162 53.8834 31.9997 174.4454 671 V 4.4323 9.2267 127.6103 61.1221 33.8037 174.5630 672 L 5.1268 8.5734 127.4215 53.0290 44.5047 175.4792 673 E 4.9430 8.1730 118.1686 54.9486 33.4907 174.0259 674 Y 5.2834 9.6660 118.4911 56.3797 42.4931 173.8392 675 E 4.8531 9.1518 124.1504 54.4655 31.9301 174.1197 676 L 4.9561 8.5082 128.6843 53.5108 44.7006 174.8441 677 Q 5.5162 9.1864 124.4431 54.6798 32.8642 173.8888 678 Y 6.0645 9.1007 118.3597 57.0926 41.8940 173.4779 679 K 4.5600 8.2969 120.3106 56.2759 35.8586 175.4734 680 E 3.6811 9.2157 118.6758 55.3499 30.2453 179.1465 681 V 3.6739 8.0701 122.7286 65.6417 31.4902 176.7610 682 N 4.6366 7.6618 113.2386 52.9268 38.9119 174.8760 683 E 4.1639 7.9079 118.8672 56.3804 30.2444 176.7519 684 T 4.1918 8.1622 116.6414 64.3200 69.5196 175.4557 685 K 4.7296 7.5620 118.2970 54.1752 35.2705 175.2782 686 W 4.5860 8.6154 120.3382 55.7434 31.2929 175.9177 687 K 4.3875 8.6617 121.6979 55.2661 33.2462 175.3389 688 M 5.0211 8.6017 125.1823 54.0490 33.5100 175.7588 689 M 4.6287 8.5349 123.5167 53.6939 34.0824 176.1433 690 D 4.3585 8.7196 121.7991 53.6216 41.4547 174.2686 691 P 4.4969 0.0000 0.0000 63.4192 31.2322 176.0161 692 I 4.3470 8.4948 117.1627 59.9541 39.0562 176.1704 693 L 4.6648 8.4376 118.8520 54.7658 42.2721 176.5508 694 T 4.4401 7.6676 109.3365 60.6441 70.9790 174.0571 695 T 3.1747 7.6714 107.9713 60.7033 69.9184 173.4804 696 S 4.3989 6.8130 114.5163 57.0350 65.7676 173.5954 697 V 4.5249 8.4729 124.2596 60.1040 34.8768 170.4973 698 P 4.9946 0.0000 0.0000 61.9914 32.8913 175.0049 699 V 3.9673 8.0781 122.9270 61.3423 33.5016 174.3898 700 Y 5.2591 8.2028 124.5666 55.7440 41.2802 174.9130 701 S 3.6860 8.8906 113.5329 59.5020 61.3809 173.0943 702 L 3.9789 7.5359 119.5198 53.9913 42.2579 177.1322 703 K 4.4952 9.1144 123.8714 56.1043 32.1348 178.6377 704 V 3.7319 8.1716 124.7898 64.3519 31.3174 177.2182 705 D 4.4555 8.0908 119.0007 55.6821 40.9278 175.5900 706 K 4.4979 7.9413 117.7702 54.3010 35.1933 174.3562 707 E 4.8439 8.1123 119.9715 54.8723 31.9630 174.1470 708 Y 5.0737 9.0227 123.7364 56.0031 42.3233 174.2688 709 E 4.9930 8.9923 118.6003 54.6139 32.8629 174.6512 710 V 5.2294 9.2172 123.8938 61.0978 34.6673 174.3813 711 R 4.9184 8.9016 122.5780 54.5093 33.3223 174.0471 712 V 4.8293 8.2511 120.1313 61.2190 34.8350 174.5103 713 R 4.7096 8.7785 124.2162 54.3277 32.7730 174.5627 714 S 5.4646 8.2545 113.1016 56.8731 67.0379 172.5435 715 K 4.7043 7.9153 116.7390 55.5331 35.7629 175.2444 716 Q 4.2314 8.4355 125.2489 56.1905 30.1452 176.2976 717 R 4.0913 8.3045 124.2044 57.6437 29.9950 177.6937 718 N 4.0194 8.5550 121.2781 52.1987 36.4825 173.9221 719 S 4.3038 7.8053 108.9112 59.5595 65.6101 177.9049 720 G 3.7299 8.0356 109.9410 45.5374 0.0000 170.8738 721 N 4.8477 7.6967 115.8274 51.6619 42.3175 173.4028 722 Y 4.2859 8.2379 115.9276 58.6873 38.9060 176.3252 723 G 4.3496 8.3937 109.1804 44.6440 0.0000 173.1046 724 E 4.3788 8.5667 119.7236 55.6512 30.5302 177.1434 725 F 4.2150 8.5585 121.6637 57.4068 39.9058 175.3766 726 S 4.4981 8.1300 117.4100 57.8542 64.1139 173.5101 727 E 4.2272 8.5784 118.9884 56.5700 29.8911 177.6223 728 V 3.9779 8.2435 116.1230 61.0368 32.8910 175.2187 729 L 4.5566 9.1904 127.9538 54.0191 43.5028 174.7636 730 Y 4.9478 8.7102 123.9198 56.8220 39.8628 175.1030 731 V 4.2547 9.4706 123.6415 61.1419 34.5533 174.2215 732 T 4.7925 8.5643 117.9061 59.6546 70.3896 173.9030 733 L 4.2521 8.5373 126.7130 53.5028 42.5611 175.7276 734 P 4.4975 0.0000 0.0000 63.3341 31.2663 176.1825 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 533 P 0.00 4.16 0.00 2.06 2.14 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 534 K 7.37 4.33 0.00 1.62 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.35 7.81 535 F 9.03 5.02 0.00 3.19 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 0.00 536 T 9.26 4.27 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 1.38 0.00 0.00 537 K 7.52 4.32 0.00 1.82 1.59 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.26 7.81 538 C 8.62 5.53 0.00 2.26 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 0.00 539 R 8.66 4.82 0.00 1.79 1.92 0.00 2.68 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 540 S 9.81 5.20 0.00 3.65 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 0.00 541 P 0.00 5.45 0.00 2.27 2.29 0.00 4.08 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 542 E 7.70 4.52 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 2.25 2.44 0.00 543 R 8.11 3.92 0.00 1.90 1.97 0.00 2.77 0.00 0.00 2.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.00 544 E 8.11 4.81 0.00 1.93 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 2.38 2.31 0.00 545 T 8.40 5.56 4.33 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 1.27 0.00 0.00 546 F 8.44 5.08 0.00 3.02 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 0.00 547 S 8.83 5.10 0.00 3.92 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 0.00 548 C 9.27 5.55 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 H 8.87 5.14 0.00 3.04 2.99 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 W 7.88 5.59 0.00 3.34 3.46 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 0.00 551 T 9.06 4.48 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 1.27 0.00 0.00 *564 I 7.48 3.82 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 1.41 0.70 0.91 0.00 0.00 565 Q 7.70 4.91 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 566 L 8.54 5.26 0.00 1.74 1.63 1.48 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 567 F 9.85 5.59 0.00 3.06 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 0.00 568 Y 9.18 5.73 0.00 3.25 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 0.00 569 T 8.46 4.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 570 R 7.96 5.07 0.00 1.38 1.25 0.00 2.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 571 R 8.22 4.51 0.00 1.77 1.64 0.00 3.24 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 572 N 9.05 4.35 0.00 2.86 3.27 0.00 0.00 5.94 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 E 7.78 4.15 0.00 2.04 1.87 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 2.13 1.91 0.00 580 W 8.26 4.34 0.00 3.11 3.14 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 0.00 581 K 8.88 4.72 0.00 1.48 0.74 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.31 7.81 582 E 8.54 4.29 0.00 1.48 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 583 C 8.00 3.72 0.00 2.62 1.68 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 0.00 584 P 0.00 3.98 0.00 1.96 1.86 0.00 2.95 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.63 0.00 585 D 7.21 4.45 0.00 2.70 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 0.00 586 Y 8.61 4.42 0.00 3.02 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 0.00 587 V 7.84 3.94 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 0.90 0.00 0.00 0.90 0.00 0.00 588 S 8.49 3.72 0.00 4.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.35 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 0.00 590 G 8.45 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 E 8.31 4.54 0.00 1.90 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 0.00 2.19 2.22 0.00 592 N 8.52 3.94 0.00 2.73 2.43 0.00 0.00 6.50 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 0.00 593 S 7.13 4.27 0.00 3.28 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 0.00 594 C 9.32 4.77 0.00 3.18 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 0.00 595 Y 8.37 4.83 0.00 2.78 2.64 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 K 8.30 4.56 0.00 1.24 1.16 0.00 0.77 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.37 7.81 680 E 9.22 3.68 0.00 1.89 1.87 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 2.24 2.12 0.00 681 V 8.07 3.67 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 0.84 0.00 0.00 0.99 0.00 0.00 682 N 7.66 4.64 0.00 2.60 2.73 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 0.00 683 E 7.91 4.16 0.00 1.74 1.66 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 0.00 2.22 2.10 0.00 684 T 8.16 4.19 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 685 K 7.56 4.73 0.00 1.68 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.35 7.81 686 W 8.62 4.59 0.00 3.08 3.07 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 0.00 687 K 8.66 4.39 0.00 0.79 1.33 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 0.92 7.81 688 M 8.60 5.02 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 689 M 8.53 4.63 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.70 0.00 690 D 8.72 4.36 0.00 2.69 2.67 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 0.00 691 P 0.00 4.50 0.00 2.27 2.31 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 692 I 8.49 4.35 1.99 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 1.00 0.00 0.00 693 L 8.44 4.66 0.00 1.67 1.79 0.96 0.86 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 0.00 694 T 7.67 4.44 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 1.18 0.00 0.00 695 T 7.67 3.17 3.82 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 0.00 0.00 0.00 0.86 0.00 0.00 696 S 6.81 4.40 0.00 3.55 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 697 V 8.47 4.52 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 0.98 0.00 0.00 0.96 0.00 0.00 698 P 0.00 4.99 0.00 1.48 2.07 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 699 V 8.08 3.97 1.73 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 -0.07 0.00 0.00 0.71 0.00 0.00 700 Y 8.20 5.26 0.00 2.81 2.73 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 0.00 701 S 8.89 3.69 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 702 L 7.54 3.98 0.00 1.51 0.94 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 703 K 9.11 4.50 0.00 1.91 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.64 7.81 704 V 8.17 3.73 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 0.77 0.00 0.00 0.96 0.00 0.00 705 D 8.09 4.46 0.00 2.68 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 0.00 706 K 7.94 4.50 0.00 1.33 1.36 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.35 7.81 707 E 8.11 4.84 0.00 1.99 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 708 Y 9.02 5.07 0.00 2.78 2.82 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 0.00 0.00 0.00 0.00 709 E 8.99 4.99 0.00 1.80 1.76 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 2.01 1.88 0.00 710 V 9.22 5.23 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 1.01 0.00 0.00 0.93 0.00 0.00 711 R 8.90 4.92 0.00 1.68 1.70 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 712 V 8.25 4.83 1.51 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 0.45 0.00 0.00 0.11 0.00 0.00 713 R 8.78 4.71 0.00 1.36 0.89 0.00 2.21 0.00 0.00 2.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.55 0.00 714 S 8.25 5.46 0.00 3.52 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 0.00 715 K 7.92 4.70 0.00 1.56 1.10 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.47 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.65 1.01 7.81 716 Q 8.44 4.23 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 717 R 8.30 4.09 0.00 1.66 1.71 0.00 3.44 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 718 N 8.56 4.02 0.00 2.83 2.94 0.00 0.00 6.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 719 S 7.81 4.30 0.00 3.76 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 0.00 720 G 8.04 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 0.00 0.00 0.00 721 N 7.70 4.85 0.00 2.61 2.64 0.00 0.00 6.97 6.73 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 0.00 722 Y 8.24 4.29 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 G 8.39 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 724 E 8.57 4.38 0.00 1.83 1.87 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 2.26 2.26 0.00 725 F 8.56 4.21 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 726 S 8.13 4.50 0.00 3.92 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 0.00 727 E 8.58 4.23 0.00 1.90 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 2.35 2.38 0.00 728 V 8.24 3.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.27 0.00 0.00 729 L 9.19 4.56 0.00 1.70 1.70 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 730 Y 8.71 4.95 0.00 2.99 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 0.00 731 V 9.47 4.25 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 -0.15 0.00 0.00 0.53 0.00 0.00 732 T 8.56 4.79 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 1.31 0.00 0.00 733 L 8.54 4.25 0.00 1.68 1.68 0.61 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 734 P 0.00 4.50 0.00 2.10 2.08 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.