NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 465 H 4.5268 8.4449 120.3833 54.7392 32.0899 173.3628 466 S 4.2769 7.6734 127.0652 56.4010 62.1546 172.8378 467 L 4.1370 7.7511 125.3619 54.4885 43.2238 175.9214 468 T 4.7350 8.2542 113.3144 61.2496 70.4831 172.3758 469 T 4.8101 8.0704 118.0792 60.7011 70.4799 173.6870 470 L 4.2761 8.5892 124.4864 56.5695 42.7365 178.3556 471 G 3.9754 7.4546 110.6453 44.7685 0.0000 174.4498 472 V 3.6141 8.2838 124.8184 62.9764 31.5467 177.5538 473 E 4.3307 8.4088 131.2281 54.8340 28.7964 175.6289 *489 P 4.3051 0.0000 0.0000 63.2075 33.0702 177.3649 490 S 4.6462 7.7873 110.5384 57.3206 66.2325 173.8334 491 F 4.6061 8.5928 125.0693 55.2862 39.7007 172.6617 492 P 4.3155 0.0000 0.0000 61.9217 31.8917 176.2380 493 L 4.0704 8.2255 122.9944 54.6270 42.6786 176.6631 494 H 4.0319 8.8534 125.1736 56.7394 31.3080 175.4081 495 E 3.9316 8.6015 127.6624 59.5997 29.5937 179.2734 496 S 4.2630 8.1386 114.6794 61.3148 62.9139 176.5534 497 I 3.8633 7.9851 122.4727 64.3573 36.8538 178.1859 498 L 3.8771 7.7566 119.6226 57.5852 41.4300 179.5227 499 K 3.8749 8.0594 119.6819 59.2850 32.2371 179.0983 500 V 3.5242 7.8184 118.5678 65.9228 31.5007 178.1257 501 V 3.0476 7.6056 117.9146 65.8533 31.0553 177.5406 502 E 3.8595 7.8618 118.0902 59.1710 29.5892 178.2939 503 E 4.1422 8.2210 117.7592 59.4171 29.4691 179.0052 504 E 4.0775 8.0644 119.2646 58.8271 29.5859 178.6191 505 W 4.9080 8.2029 117.2719 58.1945 29.0336 178.3465 506 Q 4.4011 7.8520 118.5887 57.5501 28.6716 175.9327 507 Q 4.4641 7.8970 119.6116 53.9678 29.4588 174.8955 508 I 3.9262 8.2556 116.3349 62.1516 38.3193 176.9141 509 D 4.8413 7.2822 122.5515 52.0712 39.8585 174.4923 510 R 4.7744 7.5765 118.2996 53.6924 33.1708 175.6386 511 Q 4.2210 8.3875 117.1995 55.5906 29.3313 176.3632 512 L 4.2835 8.2737 121.6388 53.5857 42.5020 175.4027 513 P 4.3457 0.0000 0.0000 62.5572 31.8594 176.3460 514 S 4.3991 8.5393 117.5549 58.3921 63.1324 173.9111 515 V 4.4826 8.2298 117.0632 60.9528 32.6263 177.3170 516 A 4.0403 7.8432 124.7897 55.4211 18.3346 179.3076 517 C 4.3228 8.0366 112.0428 62.0379 28.7520 175.0198 518 R 3.9859 7.8447 117.1090 57.5752 30.8165 176.2537 519 Y 4.4158 7.9317 114.6344 54.9388 38.0340 173.0075 520 P 4.3148 0.0000 0.0000 62.5037 32.4604 177.1404 521 V 3.7676 8.3772 123.0194 61.9987 32.2897 177.5328 522 S 4.4494 9.0934 124.8585 55.2299 61.5270 172.6806 523 S 5.6108 7.2136 116.6988 56.5200 63.9077 177.5038 524 I 3.8733 7.8571 122.7530 64.1156 36.8885 178.5904 525 E 3.9409 8.1062 118.8994 59.3642 29.3712 178.9824 526 A 3.9710 8.0381 120.5670 54.9950 18.3028 179.2281 527 A 3.9794 7.8008 119.4270 55.5229 18.2148 180.1178 528 R 3.9020 7.8180 112.9322 59.6497 29.6433 178.9213 529 I 3.9326 7.6856 119.3045 63.4376 37.1187 177.7136 530 L 4.3957 8.0815 119.4237 55.5799 42.1422 177.6274 531 S 4.3369 7.2204 112.9387 57.4518 63.6493 174.2223 532 V 2.9490 8.2441 122.5048 62.0409 31.5109 174.1467 533 P 4.2210 0.0000 0.0000 62.6889 31.7183 176.2745 534 K 4.1917 8.1722 120.6009 55.4346 33.1612 176.7044 535 V 3.8073 8.0479 121.1862 62.1129 31.8549 176.2325 536 D 4.4344 8.7735 127.0334 55.2002 42.3669 177.5518 537 D 4.4095 8.7879 123.0179 57.4498 40.6460 178.8555 538 E 4.0356 8.1758 117.8975 59.7337 29.9589 179.1018 539 I 4.0279 7.7530 119.0993 64.4124 37.2951 178.3528 540 L 4.1771 8.1808 119.9937 57.6409 41.1378 179.7939 541 G 3.5663 8.0908 105.1738 47.2483 0.0000 174.1185 542 F 4.7209 7.8063 117.3270 57.3349 39.0546 176.0813 543 I 4.4003 7.5223 121.6720 63.0019 39.3508 176.9644 544 S 4.3245 7.8268 117.1556 58.7657 60.2904 174.3771 *556 S 4.3327 8.0282 124.1756 58.3818 64.4582 175.4683 557 T 4.3261 7.9299 107.6335 62.5485 68.4316 174.5828 558 E 3.9988 8.0610 124.9362 59.6054 29.6583 178.9988 559 S 4.0216 7.9710 114.0564 61.4184 63.1081 175.8814 560 C 4.0033 7.8993 121.8598 62.3402 31.4535 174.8849 561 D 4.3957 8.4075 120.8119 57.5524 40.3164 179.3016 562 K 3.9207 7.8896 118.6817 59.7021 32.0431 179.2307 563 H 3.9653 7.6946 116.1992 58.6111 28.3458 177.9352 564 L 3.9749 8.2536 121.2682 57.7248 41.3756 178.9678 565 D 4.2637 8.0669 117.9923 57.1861 41.0992 178.0177 566 L 3.8884 8.0819 120.6659 58.0604 42.0739 178.6785 567 A 4.0146 8.0733 120.6093 55.4244 18.3619 179.6801 568 L 3.9983 8.1890 117.5554 58.0456 41.5381 179.6458 569 C 4.1895 8.3284 117.0607 62.9271 28.1028 176.3722 570 R 3.9900 8.4778 120.1148 59.2287 29.6018 179.2632 571 S 4.1581 8.3340 115.1370 61.7613 62.7699 176.1388 572 Y 3.8659 8.1000 122.1654 60.6660 38.5834 177.6895 573 E 4.0493 8.7137 120.4347 59.2667 29.7743 178.6440 574 A 4.0113 8.6671 121.0718 55.1117 18.4665 179.5278 575 A 3.9004 8.0859 119.1807 55.0222 18.3399 179.7448 576 A 3.8384 8.1611 119.6635 55.3569 18.4412 180.0571 577 S 4.0308 8.2159 113.4407 61.7215 62.8398 176.7690 578 A 3.9442 7.9855 123.4449 55.0435 17.9768 179.4837 579 L 3.8357 7.9098 118.9083 58.1491 42.2258 178.9395 580 Q 3.9711 8.1889 119.7450 59.2205 28.9157 178.3780 581 I 3.2736 7.7749 120.5854 64.2096 37.0177 178.2568 582 A 3.9452 8.1978 121.6035 55.0193 18.0137 179.4685 583 A 3.9661 8.2977 119.5128 55.7674 18.4870 179.6367 584 H 4.1821 8.2584 114.4926 59.2985 28.8320 178.0894 585 T 4.0831 8.5079 117.7176 66.6114 68.3060 176.3001 586 A 4.0044 8.2984 122.6935 55.2341 18.4489 179.4251 587 F 4.0540 8.0639 119.0874 61.4869 39.4272 177.5250 588 V 3.4378 8.2057 117.6267 65.8428 31.3411 177.6759 589 A 3.9992 8.5097 120.9399 55.1630 18.1976 179.8197 590 K 3.8446 8.0227 117.0265 59.5451 32.0909 179.7637 591 S 3.9070 7.7365 114.5115 61.3216 62.8433 176.0683 592 L 3.8761 8.1469 124.5461 57.8282 41.8505 178.8372 593 Q 3.9007 7.9986 119.1543 59.1211 29.0530 178.0331 594 A 3.9788 8.0078 121.7790 55.2903 18.3363 179.3361 595 D 4.3083 8.4373 117.7810 57.4651 40.7714 179.0685 596 I 3.6902 7.8595 120.2739 64.4987 37.0429 178.6150 597 S 4.0876 7.9091 115.5491 61.5298 62.7521 176.3891 598 Q 3.9162 8.0944 121.9236 59.3556 28.7179 178.4340 599 A 3.9860 8.2283 121.4895 55.0160 18.4039 179.3486 600 A 3.9317 8.3044 119.5653 55.6082 18.4694 179.9402 601 Q 3.9935 8.3802 116.6662 58.9224 28.4573 179.2929 602 I 3.7158 7.3657 119.9781 64.5464 37.3738 178.0316 603 I 3.8157 7.7868 119.4939 64.4314 36.9307 177.7868 604 N 4.4980 8.0323 117.0396 56.1815 40.2773 176.9820 605 S 4.6803 7.6721 118.4664 58.1673 58.9109 170.7915 606 D 4.3752 7.9349 127.6391 51.7257 38.3112 173.3860 607 P 4.9878 0.0000 0.0000 62.1425 28.5529 175.7226 608 S 4.6428 7.7252 117.5498 58.9776 67.8372 174.5732 609 D 4.7430 7.6577 120.1110 53.9721 41.6172 178.5621 610 A 3.9759 8.1307 122.8719 55.8162 18.3260 179.3318 611 Q 3.9082 8.2233 115.6841 59.4055 28.7352 179.4078 612 Q 3.8638 7.9765 119.3841 59.2799 29.1862 177.9443 613 A 4.0285 7.9971 121.2512 55.3254 18.4744 179.4250 614 L 3.9543 8.6733 117.6451 57.4800 41.4834 179.7593 615 R 3.8941 7.6979 118.8863 59.4807 30.1849 178.5593 616 I 3.7325 7.8127 119.6362 64.4286 37.0224 178.4899 617 L 4.1910 8.1881 121.2842 57.0232 41.3232 179.0061 618 N 4.3257 7.9781 116.8702 56.6627 38.8169 177.2139 619 R 3.9917 7.8652 119.9806 59.4384 29.9209 179.1302 620 T 3.8924 7.8572 109.4745 64.9142 68.7061 175.9241 621 Y 4.0445 8.3446 122.5282 60.4733 38.7610 177.6405 622 D 4.3110 8.2069 118.4683 57.3059 41.3775 177.9618 623 A 3.9808 8.2811 121.2040 55.1392 18.3220 179.5218 624 A 3.9559 8.2807 119.4628 55.3746 18.4758 180.0229 625 S 4.0047 7.8950 113.7092 61.7724 62.8881 176.2189 626 Y 4.0269 8.2525 122.2369 60.8048 38.5578 178.1926 627 L 4.1872 8.3432 119.8764 58.0985 41.7182 179.1354 628 C 4.2006 8.2298 118.5689 62.5837 31.5393 175.4025 629 D 4.4274 8.3025 120.3493 57.3491 40.4110 178.5992 630 A 4.1873 8.7219 122.8086 54.4048 18.3141 179.5974 631 A 3.8436 8.0797 119.5044 55.4118 18.4889 179.9530 632 F 3.8569 8.1308 115.7921 60.4534 38.6644 177.7575 633 D 4.3927 7.8392 118.1888 57.1235 40.6769 177.8571 634 E 3.9475 7.9564 119.0316 59.1556 29.8274 178.7115 635 V 3.6951 7.7148 118.1662 65.9019 31.5479 178.7915 636 R 4.0897 7.7841 115.0168 57.3672 29.9346 177.9824 *638 S 4.3697 8.0615 114.7276 58.0935 64.8550 176.0339 639 A 4.2764 8.1812 121.9944 55.5172 18.5640 178.6425 640 C 4.3967 8.6094 113.4880 63.1340 28.4537 176.9566 641 A 4.2583 7.7408 118.9475 52.7870 16.0234 179.2946 *643 G 3.7769 8.1620 110.4930 47.2036 0.0000 176.4022 644 S 4.3014 8.2847 115.4621 61.3829 63.4421 175.6265 645 S 4.2008 8.3792 115.0482 61.8656 62.3137 177.4512 646 T 3.4017 6.9879 112.4517 64.0923 67.8931 176.2767 *648 G 4.0042 8.2191 112.6745 45.8304 0.0000 176.1916 649 R 4.1570 7.9361 118.9927 58.4706 29.7009 179.4892 650 R 3.7282 7.6488 117.7005 59.3210 30.2239 178.1718 651 Y 4.2756 7.8718 116.0093 61.0187 37.5213 178.1520 652 L 3.9735 8.2379 121.2214 58.1827 41.9939 179.0187 653 W 4.1744 8.4129 116.8879 58.4858 28.9700 177.4855 654 L 4.6109 7.8852 118.1114 54.7148 41.5066 178.3548 655 K 3.8530 7.7323 118.0078 59.2951 32.4960 177.2006 656 D 4.7660 7.9321 117.0513 54.1446 42.3516 176.1518 657 C 4.4141 7.3779 113.7532 57.6305 30.5254 174.1199 658 K 4.4346 8.2330 120.7948 54.7955 30.9409 175.6907 659 I 4.7234 7.6025 122.4153 57.8878 41.5441 176.3116 660 S 4.2500 8.4953 118.0028 58.3004 64.5799 173.8092 661 P 4.2883 0.0000 0.0000 65.6177 30.9491 178.9161 662 A 3.9668 7.9204 119.2021 55.4115 18.4659 179.6801 663 S 4.0547 7.5621 113.3248 61.5720 62.8832 177.2057 664 K 3.9346 8.1316 121.1755 59.3711 31.8210 178.8662 665 N 4.2358 8.5173 117.7047 56.5260 38.5120 176.5161 666 K 3.8375 8.1822 121.0969 59.8450 32.0378 178.6917 667 L 4.1651 7.7268 117.5223 58.0468 41.5420 179.2927 668 T 3.9715 7.7396 114.9868 65.5917 68.5341 176.4776 669 V 4.0659 7.5043 111.4866 60.2342 32.5296 176.3152 670 A 4.1528 6.8715 120.9026 51.4629 18.8415 175.8711 671 P 4.6051 0.0000 0.0000 62.6569 32.0887 175.7105 672 F 5.0126 8.6768 122.6400 56.6391 41.2341 175.3687 673 K 4.3158 8.1301 124.9844 55.5935 32.7756 176.9134 674 G 3.2978 5.3800 106.5467 45.3735 0.0000 172.3050 675 G 3.9461 8.3354 113.0419 43.8067 0.0000 173.4174 676 T 4.6707 7.2311 109.4947 58.3584 72.3657 174.5106 677 L 3.7124 8.5640 124.7495 58.0873 41.9829 178.0164 678 F 4.4817 8.1115 112.9885 56.7998 39.5448 176.1738 679 G 4.2132 7.7561 114.8379 47.2298 0.0000 172.9663 680 G 3.2301 7.8087 106.1906 44.8988 0.0000 175.0735 681 E 4.2225 7.8144 123.0984 54.8466 28.5429 176.5519 682 V 3.4884 8.1185 122.8420 65.8180 31.7185 177.0969 683 H 4.7441 7.7292 119.0323 54.5238 27.3008 175.3656 684 K 4.5498 8.2268 121.8391 58.7332 32.6117 177.5845 685 V 3.7473 7.7100 120.9941 63.1925 31.3741 175.4303 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 465 H 8.44 4.53 0.00 3.12 3.20 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 466 S 7.67 4.28 0.00 3.96 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 0.00 467 L 7.75 4.14 0.00 0.53 1.28 0.82 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 0.00 468 T 8.25 4.73 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 1.21 0.00 0.00 469 T 8.07 4.81 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 1.32 0.00 0.00 470 L 8.59 4.28 0.00 1.72 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 471 G 7.45 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 0.00 0.00 0.00 472 V 8.28 3.61 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 0.81 0.00 0.00 0.93 0.00 0.00 473 E 8.41 4.33 0.00 2.25 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 0.00 2.33 2.41 0.00 *489 P 0.00 4.31 0.00 2.24 2.22 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 490 S 7.79 4.65 0.00 3.96 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 0.00 491 F 8.59 4.61 0.00 2.95 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 0.00 492 P 0.00 4.32 0.00 2.09 1.94 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 493 L 8.23 4.07 0.00 1.62 1.61 0.97 0.97 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 0.00 494 H 8.85 4.03 0.00 3.27 3.20 0.00 5.92 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 0.00 495 E 8.60 3.93 0.00 2.03 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 2.33 2.43 0.00 496 S 8.14 4.26 0.00 4.17 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 0.00 497 I 7.99 3.86 2.07 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 1.32 0.67 0.83 0.00 0.00 498 L 7.76 3.88 0.00 1.77 1.65 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 499 K 8.06 3.87 0.00 1.96 1.90 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.57 7.81 500 V 7.82 3.52 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 0.94 0.00 0.00 1.08 0.00 0.00 501 V 7.61 3.05 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 -0.68 0.00 0.00 0.71 0.00 0.00 502 E 7.86 3.86 0.00 1.94 2.06 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 2.33 2.33 0.00 503 E 8.22 4.14 0.00 2.26 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 0.00 2.48 2.34 0.00 504 E 8.06 4.08 0.00 2.11 2.16 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 2.46 2.49 0.00 505 W 8.20 4.91 0.00 3.40 3.41 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 0.00 506 Q 7.85 4.40 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 507 Q 7.90 4.46 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 508 I 8.26 3.93 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.95 0.00 0.00 509 D 7.28 4.84 0.00 2.83 2.65 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 0.00 510 R 7.58 4.77 0.00 1.93 1.89 0.00 3.29 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 511 Q 8.39 4.22 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 512 L 8.27 4.28 0.00 1.81 1.64 1.10 1.10 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 0.00 513 P 0.00 4.35 0.00 2.07 2.02 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 514 S 8.54 4.40 0.00 3.86 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 0.00 515 V 8.23 4.48 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 0.81 0.00 0.00 1.00 0.00 0.00 516 A 7.84 4.04 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 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602 I 7.37 3.72 2.00 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 1.76 0.73 0.91 0.00 0.00 603 I 7.79 3.82 1.99 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 1.40 0.57 0.91 0.00 0.00 604 N 8.03 4.50 0.00 2.86 2.84 0.00 0.00 7.27 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 0.00 605 S 7.67 4.68 0.00 3.87 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 0.00 606 D 7.93 4.38 0.00 2.77 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 0.00 607 P 0.00 4.99 0.00 2.17 2.12 0.00 3.70 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 1.98 1.99 0.00 608 S 7.73 4.64 0.00 3.81 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 0.00 609 D 7.66 4.74 0.00 2.55 2.66 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 0.00 0.00 0.00 610 A 8.13 3.98 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 0.00 611 Q 8.22 3.91 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 612 Q 7.98 3.86 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 613 A 8.00 4.03 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 0.00 614 L 8.67 3.95 0.00 1.85 1.71 0.91 0.94 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 0.00 615 R 7.70 3.89 0.00 1.90 2.17 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 616 I 7.81 3.73 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 1.52 1.14 0.95 0.00 0.00 617 L 8.19 4.19 0.00 1.68 1.73 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 618 N 7.98 4.33 0.00 3.02 2.97 0.00 0.00 7.12 7.60 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 0.00 619 R 7.87 3.99 0.00 2.07 1.97 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 620 T 7.86 3.89 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 1.28 0.00 0.00 621 Y 8.34 4.04 0.00 3.22 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 0.00 622 D 8.21 4.31 0.00 2.83 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 0.00 623 A 8.28 3.98 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 0.00 624 A 8.28 3.96 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 0.00 625 S 7.89 4.00 0.00 4.04 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 0.00 626 Y 8.25 4.03 0.00 3.12 3.17 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 0.00 627 L 8.34 4.19 0.00 2.00 1.78 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 628 C 8.23 4.20 0.00 3.05 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 0.00 629 D 8.30 4.43 0.00 2.83 2.65 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 0.00 630 A 8.72 4.19 1.33 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 0.00 0.00 631 A 8.08 3.84 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 0.00 632 F 8.13 3.86 0.00 3.26 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 0.00 633 D 7.84 4.39 0.00 2.75 2.66 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 0.00 0.00 0.00 634 E 7.96 3.95 0.00 1.93 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 2.24 2.29 0.00 635 V 7.71 3.70 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 0.92 0.00 0.00 0.65 0.00 0.00 636 R 7.78 4.09 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 *638 S 8.06 4.37 0.00 4.11 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 0.00 639 A 8.18 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 C 8.61 4.40 0.00 3.07 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 0.00 641 A 7.74 4.26 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 *643 G 8.16 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 0.00 644 S 8.28 4.30 0.00 4.03 4.09 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 0.00 645 S 8.38 4.20 0.00 3.84 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 0.00 646 T 6.99 3.40 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 *648 G 8.22 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 0.00 649 R 7.94 4.16 0.00 1.79 2.13 0.00 3.15 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 650 R 7.65 3.73 0.00 1.53 1.81 0.00 2.86 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 651 Y 7.87 4.28 0.00 3.28 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 0.00 652 L 8.24 3.97 0.00 1.91 1.87 0.84 0.88 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 0.00 653 W 8.41 4.17 0.00 3.64 3.50 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 0.00 654 L 7.89 4.61 0.00 1.74 1.75 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 655 K 7.73 3.85 0.00 1.98 2.17 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.47 7.81 656 D 7.93 4.77 0.00 2.64 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 0.00 657 C 7.38 4.41 0.00 2.91 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 0.00 658 K 8.23 4.43 0.00 1.75 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.37 7.81 659 I 7.60 4.72 1.86 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 1.45 0.59 0.89 0.00 0.00 660 S 8.50 4.25 0.00 4.05 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 0.00 661 P 0.00 4.29 0.00 2.20 2.19 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 662 A 7.92 3.97 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 0.00 663 S 7.56 4.05 0.00 3.78 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 0.00 664 K 8.13 3.93 0.00 1.98 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.57 7.81 665 N 8.52 4.24 0.00 2.82 2.99 0.00 0.00 6.89 5.76 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 0.00 666 K 8.18 3.84 0.00 2.11 1.80 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 667 L 7.73 4.17 0.00 1.89 1.81 0.69 0.73 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 0.00 668 T 7.74 3.97 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 0.21 0.00 0.00 669 V 7.50 4.07 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 0.74 0.00 0.00 1.02 0.00 0.00 670 A 6.87 4.15 1.38 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 0.00 0.00 671 P 0.00 4.61 0.00 2.11 2.08 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 672 F 8.68 5.01 0.00 2.67 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 0.00 673 K 8.13 4.32 0.00 1.61 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 674 G 5.38 3.30 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 0.00 675 G 8.34 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 0.00 676 T 7.23 4.67 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 0.00 677 L 8.56 3.71 0.00 1.28 1.36 0.54 0.25 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 0.00 678 F 8.11 4.48 0.00 3.02 3.03 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 0.00 679 G 7.76 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 0.00 0.00 0.00 0.00 680 G 7.81 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 0.00 0.00 0.00 681 E 7.81 4.22 0.00 2.03 1.84 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 2.48 2.30 0.00 682 V 8.12 3.49 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 0.72 0.00 0.00 0.90 0.00 0.00 683 H 7.73 4.74 0.00 3.19 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 K 8.23 4.55 0.00 1.72 1.82 0.00 1.73 0.00 0.00 2.29 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.55 7.81 685 V 7.71 3.75 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 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.