NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 516 L 4.3783 8.1693 120.6387 53.9367 43.1158 176.0564 517 P 4.4077 0.0000 0.0000 61.2373 32.7243 176.3701 518 F 4.8564 9.4668 124.8612 58.7160 38.2345 174.0766 519 T 4.8102 7.1309 119.9192 62.0701 73.3547 173.6662 520 T 4.7669 7.9078 111.8799 61.4149 70.5937 174.4798 521 G 4.4012 9.0356 112.5369 45.5149 0.0000 172.4624 522 L 6.0540 9.1713 121.0235 51.7617 46.1191 175.5052 523 I 5.0914 8.4498 121.9933 59.9570 40.2372 173.9235 524 Y 4.7717 8.7902 126.1914 56.7963 42.7021 173.0023 525 D 4.4813 7.1443 122.3875 51.5765 44.4137 176.3955 526 S 3.8451 8.2508 121.2609 61.2415 62.4316 176.6185 527 V 3.3148 7.6767 122.3972 66.2212 30.6131 177.4370 528 M 4.0769 7.4434 117.0822 57.0830 31.6223 178.2748 529 L 4.1330 7.7190 119.2137 57.0706 41.8928 178.8529 530 K 4.2381 7.3573 117.1609 57.6527 32.3028 176.6377 531 H 4.2382 7.2371 118.7393 56.5518 28.5051 173.9809 532 Q 4.4584 7.7605 123.4482 53.9397 32.8554 174.5872 533 C 4.2037 8.3984 121.5167 59.4378 32.1530 174.8059 534 S 4.2738 8.5146 119.8970 60.6906 62.8042 175.0738 535 C 4.1898 8.0406 115.8919 59.1741 29.5380 174.9074 536 G 4.0276 7.9357 109.8354 45.5813 0.0000 173.1389 537 D 4.5465 7.5499 118.5038 53.2608 40.5443 176.2241 538 N 4.6716 8.6587 123.7031 54.4185 38.8180 176.0824 539 S 4.5572 8.1110 113.7912 58.4916 63.7436 174.7479 540 R 4.2555 7.5115 119.9755 57.0307 30.4394 175.8956 541 H 4.9679 7.4403 115.1441 52.4435 28.8825 171.8392 542 P 4.3203 0.0000 0.0000 65.2626 31.6082 177.8857 543 E 3.9156 6.6523 121.2399 54.4519 27.7687 174.4229 544 H 4.9334 7.5161 118.1889 52.4275 31.9927 175.9544 545 A 4.1458 8.5385 121.1242 55.0382 18.0199 179.9623 546 G 3.8020 8.4095 103.7293 47.4696 0.0000 175.8725 547 R 3.9475 7.8400 120.9273 59.4525 30.1895 178.9057 548 I 4.0713 7.7525 112.0214 63.5292 38.0547 177.7456 549 Q 4.1414 8.1196 121.4484 59.0820 28.9659 178.2183 550 S 4.1429 8.3240 115.4118 61.6094 62.8152 176.4024 551 I 3.6677 7.5893 123.7179 63.8438 36.4220 178.1776 552 W 4.1675 8.3086 129.2917 60.4261 30.4144 178.1333 553 S 3.7393 8.0853 114.2327 61.1822 62.6836 176.2238 554 R 3.8150 7.9193 122.2806 59.2820 29.5577 178.4095 555 L 3.9058 7.5054 118.5073 57.2716 41.4309 179.0228 556 Q 3.7381 7.1538 119.4085 58.8228 28.7438 177.8564 557 E 3.8803 7.9776 118.8553 59.0426 29.5879 177.8659 558 R 4.2160 7.6761 114.8038 55.6350 30.1449 177.5106 559 G 3.9062 7.6534 106.1930 46.1504 0.0000 175.7388 560 L 4.0575 7.6086 120.2335 57.5538 41.7193 178.5347 561 R 3.6940 7.7988 119.1810 59.7252 29.6111 178.4029 562 S 4.2025 7.8058 111.3541 60.7641 63.3321 175.6328 563 Q 4.1646 7.9095 120.9009 57.1694 28.8120 175.7245 564 C 4.6935 6.9423 117.0582 58.5108 30.2552 172.9847 565 E 4.3247 9.0868 122.7635 56.0433 30.4280 174.8656 566 C 5.3405 8.8483 125.1150 58.5014 29.6216 173.1133 567 L 4.9684 9.1796 123.9342 53.2407 44.5902 177.6788 568 R 5.0275 8.4310 118.2673 55.4359 31.7411 177.8781 569 G 3.8598 9.9563 103.3551 46.4921 0.0000 171.8675 570 R 2.8180 6.6124 113.0708 54.3242 32.4240 174.4710 571 K 4.3317 7.6128 119.5699 56.2609 32.5886 177.0214 572 A 4.2975 8.6663 127.7348 51.6210 19.1276 177.8063 573 S 4.2946 9.1328 116.6466 57.5819 64.3419 175.5004 574 L 3.9186 8.4285 121.0672 57.9763 41.0330 179.5986 575 E 3.9567 8.0389 117.0521 59.4392 29.6328 178.7267 576 E 4.4362 7.8602 119.3848 58.9417 29.5607 179.4073 577 L 3.9133 7.7539 118.8538 57.9153 41.2716 179.2954 578 Q 4.7156 8.4759 118.1045 56.9544 28.5049 178.2376 579 S 3.9340 7.6518 115.1851 60.6531 62.7456 175.1910 580 V 4.1447 7.5633 119.7030 62.9350 33.7333 174.6598 581 H 4.9390 8.1034 115.9916 53.3702 31.2337 174.1679 582 S 4.4330 8.2248 116.8714 57.7349 63.9114 174.8280 583 E 4.0284 8.9979 122.0888 59.8704 29.1717 179.4885 584 R 3.8801 7.9388 117.1904 59.4593 30.2267 178.2022 585 H 4.1480 8.2136 117.9816 59.4960 29.8147 177.4319 586 V 3.9005 8.3009 120.2493 65.8969 31.2708 177.8962 587 L 3.9615 8.2922 119.1448 57.7667 41.3092 179.1731 588 L 3.6282 7.6071 118.5726 57.7907 42.0594 177.7615 589 Y 4.6795 7.7963 113.1552 57.7160 39.1420 176.4940 590 G 4.2857 8.5798 107.7393 45.4333 0.0000 173.6512 591 T 4.7285 7.3978 108.7860 59.1596 72.0374 173.3908 592 N 4.4876 8.5938 121.9171 53.0920 39.5261 174.2961 593 P 4.3838 0.0000 0.0000 65.0923 31.6833 177.4494 594 L 4.3042 7.8043 117.1034 56.4783 42.1195 178.1712 595 S 4.1060 7.8141 112.8428 60.6382 63.5659 174.6887 *614 V 3.8777 7.4866 120.0320 62.7330 32.7604 173.8623 615 M 4.7158 8.6454 127.0550 54.8663 33.2464 175.1570 616 L 4.7030 8.5324 125.6702 52.5072 43.9719 175.7816 617 P 4.3517 0.0000 0.0000 65.9602 31.3619 177.6102 618 C 4.2260 8.0135 110.8557 59.1661 30.0843 174.5012 619 G 3.9341 8.6140 109.5572 44.8785 0.0000 173.5931 620 G 3.9302 7.8158 106.8758 46.1853 0.0000 172.4891 621 V 4.9229 8.3238 119.1403 61.9665 33.6124 174.6488 622 G 4.6109 8.7079 111.7251 45.6938 0.0000 173.4760 623 V 4.1384 9.1379 114.3759 63.2305 32.3136 176.0631 624 D 4.5760 7.3999 116.6560 52.7207 41.2444 174.3063 625 T 4.0654 8.5399 111.6556 64.9622 67.7698 176.1367 626 D 4.5226 8.1978 119.8661 55.9555 41.7638 176.3025 627 T 4.4762 8.3503 117.9759 62.0492 67.6854 174.1878 628 I 4.5301 8.2762 120.0649 60.2317 39.2559 175.1689 629 W 5.0514 9.0692 133.2169 55.8035 33.2070 173.9465 630 N 4.6009 8.7821 127.2943 52.0018 38.8828 175.6562 631 E 3.9015 8.8621 126.7668 58.6880 29.9369 178.1665 632 L 4.2062 7.7682 117.3172 56.0500 42.6499 177.4315 633 H 4.7725 7.8640 113.5696 55.6167 30.3528 176.5271 634 S 3.6456 7.3349 117.6947 61.1698 62.3752 176.1955 635 S 4.3840 6.9920 115.2475 61.6647 62.1501 175.8784 636 N 4.3798 8.0245 118.2692 56.1903 38.2749 177.1193 637 A 3.9588 7.9056 121.8862 55.0651 18.5260 179.3094 638 A 4.1067 8.1438 119.5955 55.7860 18.5214 180.1510 639 R 3.9029 8.4908 116.5155 59.0540 30.0704 179.2151 640 W 4.0475 8.3897 128.1594 60.1675 30.7098 177.9364 641 A 4.0861 8.5952 120.9610 55.2015 17.9730 179.5461 642 A 4.0705 8.3007 119.3762 55.3792 18.4817 180.1917 643 G 3.7687 7.7986 105.0151 47.2582 0.0000 176.0631 644 S 4.0009 7.9778 117.4581 61.3426 62.8392 176.6810 645 V 3.6030 7.8529 120.9312 66.2946 31.2273 178.0610 646 T 3.9598 7.7829 115.0908 66.7750 68.3558 175.7731 647 D 4.3136 8.3346 120.1704 57.4561 41.2079 178.2491 648 L 3.9683 8.1965 120.4371 58.0801 42.0460 178.5096 649 A 4.0295 8.3990 121.1155 55.3814 18.2992 179.6311 650 F 3.8142 8.5865 116.0367 60.7540 39.0527 178.1764 651 K 4.1306 8.2450 118.0664 59.2996 31.7153 179.7095 652 V 3.9526 8.2823 119.8866 65.3119 31.2801 178.0356 653 A 3.9894 8.1753 120.2324 54.9059 18.2990 179.2338 654 S 4.2289 8.1177 110.9189 59.0628 63.1776 175.0472 655 R 4.2866 7.9588 120.1536 57.2395 28.5976 176.8612 656 E 4.1556 8.1806 120.9094 59.2001 29.5991 176.7304 657 L 4.7361 7.8987 118.3999 53.4305 43.4696 177.5868 658 K 3.6601 8.4960 123.9255 59.2429 32.9112 175.9638 659 N 4.6164 7.5312 114.9823 53.2093 40.3711 173.1775 660 G 4.3097 8.1536 103.1932 45.8771 0.0000 172.5976 661 F 5.3047 9.0820 122.5689 56.3332 43.0059 173.0700 662 A 4.9203 9.0566 129.0137 50.4800 20.6564 176.3907 663 V 4.9502 8.5775 125.6348 61.7620 29.5973 175.4036 664 V 4.6251 7.8326 116.2884 59.2055 34.7890 175.2737 665 R 4.7268 8.0281 117.1455 54.0265 32.0220 173.0012 666 P 4.6302 0.0000 0.0000 61.9538 31.9363 174.1613 667 P 4.6736 0.0000 0.0000 62.6091 32.4756 176.5988 668 G 4.2213 9.4908 104.4725 43.2763 0.0000 174.6312 669 H 4.3233 8.5182 115.1369 58.3666 28.8074 176.7427 670 H 4.3232 8.0506 115.3915 56.9036 29.2211 174.9924 671 A 4.2181 8.0548 124.8409 51.4878 18.8089 176.6387 672 D 5.2391 8.2689 123.3800 51.2234 42.3997 176.1597 673 H 4.2154 9.0319 117.0585 58.3687 29.5425 176.3697 674 S 4.9039 7.9485 111.9444 57.8366 63.4654 173.9404 675 T 4.5106 7.8887 116.7632 62.9916 72.1347 173.0024 676 A 4.6329 8.3206 129.3900 50.6952 20.4793 175.7843 677 M 4.4344 8.4096 118.6222 54.9012 34.2982 174.3058 678 G 3.6203 9.3052 105.2231 46.7643 0.0000 174.5255 679 F 4.1552 7.8755 114.8538 57.4469 37.7871 175.1360 680 C 5.1479 7.6221 118.3896 57.2655 30.3941 173.8987 681 F 3.9060 8.7803 120.3289 58.2265 40.5452 176.0381 682 F 4.9309 7.7464 117.8481 55.3118 41.9732 174.2609 683 N 5.0239 8.9099 122.9164 52.1390 37.4271 175.3814 684 S 4.1896 8.5520 122.3259 61.4882 63.2472 176.2862 685 V 3.5941 7.8974 119.7486 65.9040 31.3482 177.7527 686 A 4.4345 8.6032 120.6138 55.3682 18.2242 179.6175 687 I 3.7129 8.1914 118.3660 64.5345 37.1627 178.5659 688 A 4.0971 8.2889 121.6490 55.1551 18.2323 179.2036 689 C 3.9893 8.3214 117.1963 62.8327 31.6127 175.9554 690 R 4.2478 8.6056 120.0184 59.5699 29.5107 179.1826 691 Q 4.1223 8.4659 117.8082 58.8800 28.7308 178.4647 692 L 3.5437 8.1229 120.0987 57.8410 41.5545 179.6039 693 Q 3.9409 8.1142 117.5592 59.2974 28.5269 178.9051 694 Q 4.0614 8.2008 117.8132 58.9424 28.7928 178.2067 695 Q 4.4183 8.1173 116.5417 54.5268 29.3700 175.8502 696 S 3.7141 7.9366 114.0909 59.2917 62.4504 172.7481 697 K 4.2172 8.2352 120.4236 57.8646 33.1009 175.7809 698 A 4.5708 7.3673 119.8696 51.3735 22.0719 175.8807 699 S 4.2619 8.9374 119.6259 60.6849 63.7551 174.4304 700 K 4.8142 8.6971 120.3632 54.6138 34.2048 175.0453 701 I 5.0041 8.8000 125.7867 59.3618 40.5644 174.1716 702 L 4.8357 8.7178 129.1398 53.7244 44.0822 174.9307 703 I 4.8503 9.0355 127.5682 59.6486 39.7138 174.5046 704 V 4.4749 8.5202 127.9708 61.1578 33.7825 173.9606 705 D 5.1031 8.9968 128.2773 52.1296 42.8951 174.9943 706 W 5.2456 7.9425 122.0507 56.2060 29.0376 176.2281 707 D 4.9147 8.2383 120.0562 54.4603 41.3543 176.9982 708 V 3.9958 9.2811 124.5570 64.2849 31.7126 175.9265 709 H 5.2978 8.4932 117.3567 54.2548 30.1760 174.2948 710 H 4.2954 8.8089 122.3578 56.1402 30.5039 177.5762 711 G 3.8367 8.7308 116.3128 42.9192 0.0000 173.3795 712 N 4.2819 8.0810 123.5254 56.6082 37.4410 177.5745 713 G 3.7425 7.8665 109.0058 47.2595 0.0000 175.9586 714 T 3.7423 7.5206 117.7850 66.0925 68.2668 176.2258 715 Q 3.7399 7.2762 120.3175 59.2347 29.1829 177.9274 716 Q 3.9191 7.8490 120.1523 59.5637 28.8549 178.3666 717 T 3.5805 7.4254 115.0657 66.1181 68.7222 175.6517 718 F 4.8526 7.4552 116.3018 57.1728 39.4506 176.7812 719 Y 4.1124 7.7109 122.6743 60.7545 38.5546 177.7728 720 Q 4.6436 8.1150 114.6723 55.7485 29.4089 174.5743 721 D 4.7676 8.0848 119.9113 51.6814 41.6090 174.8819 722 P 3.4723 0.0000 0.0000 64.1317 31.8070 176.9263 723 S 4.5439 8.2848 113.8530 58.7093 64.3167 173.5883 724 V 4.7923 7.4815 121.0655 61.0956 33.6612 174.1534 725 L 4.6801 8.4714 130.3843 53.4763 44.0892 174.0289 726 Y 5.0531 8.6347 128.1810 56.0332 40.9431 174.1968 727 I 4.5814 8.4729 127.6402 59.5312 40.4404 174.1997 728 S 4.8779 8.3818 122.8189 56.3631 64.5547 172.5631 729 L 4.9671 8.4108 127.5014 53.4408 42.9611 175.6154 730 H 5.3323 8.4819 118.3339 53.9754 32.4753 172.8808 731 R 4.5821 8.8709 121.5761 56.7966 29.7644 175.6128 732 H 4.7940 9.2119 124.0526 56.4706 32.8908 173.1214 733 D 4.3538 9.4685 118.9717 55.7156 38.4589 173.9245 734 D 4.3892 9.0703 112.4640 55.7691 38.7105 175.2934 735 G 4.0068 8.3307 106.1701 45.6241 0.0000 174.5176 736 N 4.9902 7.7483 112.9722 52.4187 39.3831 174.0947 737 F 5.0667 7.7857 120.1898 55.6605 42.5873 173.8901 738 F 4.1130 7.6756 128.5309 58.1198 39.4991 172.8907 739 P 3.2125 0.0000 0.0000 62.0185 31.1754 176.6037 740 G 3.8098 8.2982 107.4505 45.5489 0.0000 173.6241 741 S 4.5395 7.5784 113.6310 57.2220 65.3685 173.2481 742 G 3.3397 8.1658 105.9421 46.0554 0.0000 174.1090 743 A 3.9212 7.7275 121.1153 51.2048 19.4303 179.3049 744 V 3.5440 8.4595 120.9471 66.3596 31.4606 177.4337 745 D 4.4182 8.0303 117.4235 56.3660 40.7614 176.3270 746 E 4.5079 8.0756 118.8151 54.9159 28.2393 176.3623 747 V 4.6666 7.6107 115.2901 59.7990 32.5728 176.1223 748 G 2.9107 8.4087 105.1645 44.3508 0.0000 172.1537 749 A 4.5534 8.0827 119.9207 51.0500 23.5304 177.7278 750 G 3.6973 8.4648 107.7642 46.7760 0.0000 177.3776 751 S 4.2385 8.8966 118.9733 60.6022 63.0631 174.8613 752 G 4.0177 8.2222 109.0975 45.0898 0.0000 173.4070 753 E 3.7570 7.6636 120.1945 57.5796 29.6425 177.5564 754 G 3.0073 8.0686 112.9197 45.0009 0.0000 173.9123 755 F 4.7310 7.8997 117.5220 57.0833 39.4341 174.1537 756 N 5.3229 7.9209 120.4530 51.8591 41.7057 173.1164 757 V 4.3240 9.1136 127.2570 61.2880 34.0423 174.1770 758 N 4.9509 8.7260 126.6141 51.8300 39.7571 175.5839 759 V 3.5319 8.8411 126.3930 61.5945 31.1190 173.1774 760 A 4.1575 7.6623 126.3977 49.3347 19.8677 176.3153 761 W 4.6273 8.8000 122.9161 57.7310 30.0433 176.2436 762 A 5.1456 9.1853 127.0192 50.6155 20.8379 176.5615 763 G 3.9204 9.0642 107.1058 44.7525 0.0000 175.2062 764 G 3.8428 8.2822 105.2467 44.9056 0.0000 173.0469 765 L 4.4866 8.3335 118.6691 54.7233 42.4948 175.7612 766 D 4.7042 7.6823 118.3246 51.2803 43.6018 173.2585 767 P 4.4389 0.0000 0.0000 61.6620 32.0830 174.1315 768 P 4.4160 0.0000 0.0000 63.5993 31.8313 175.6161 769 M 3.9127 8.3420 123.6532 54.0052 33.3769 174.2793 770 G 3.7778 8.2483 112.3712 45.1551 0.0000 174.1855 771 D 4.1884 8.9739 119.8901 57.2453 40.9926 176.7178 772 P 4.2031 0.0000 0.0000 65.6363 31.2624 178.5868 773 E 3.8499 7.8607 116.8337 59.6057 29.4533 178.8000 774 Y 4.0683 8.0245 116.7626 60.8604 37.9143 178.2589 775 L 3.8659 8.3490 120.3117 57.5954 41.5613 179.4097 776 A 4.0160 8.1626 120.6383 55.0165 18.2395 179.4659 777 A 3.9148 8.2673 119.3672 55.4054 18.3482 179.9594 778 F 3.7885 8.4569 116.3565 60.5972 38.7516 178.2707 779 R 3.9237 7.9956 116.8676 59.0116 29.9618 178.4566 780 I 4.0717 7.8742 118.2173 62.8032 37.9821 176.5884 781 V 3.9714 7.6898 116.4662 64.4441 32.9157 177.8498 782 V 3.1405 7.0570 116.8798 66.1268 31.5009 178.0603 783 M 3.9226 7.8838 118.4701 57.7294 31.8331 176.9755 784 P 4.1917 0.0000 0.0000 65.5182 31.4765 178.7160 785 I 2.9841 7.3449 118.2591 64.0786 36.9194 178.2048 786 A 3.9491 7.5404 121.5031 55.4258 17.9112 179.9716 787 R 3.9808 7.7908 115.4310 59.2550 30.1935 178.5961 788 E 4.1956 8.0144 118.4441 59.1742 29.7614 178.2844 789 F 4.6151 8.6216 120.2546 59.8404 40.9149 174.6867 790 S 3.6646 8.5431 111.7474 58.2980 60.1456 169.6463 791 P 4.4458 0.0000 0.0000 62.7564 32.2901 177.7322 792 D 4.5807 8.8133 119.8489 56.2052 41.6799 176.4786 793 L 4.6839 7.6463 119.2082 53.7176 45.8729 173.8042 794 V 4.8647 8.8746 125.5986 61.1321 34.0972 174.0232 795 L 5.0845 8.9033 128.0360 52.9170 44.5816 175.4546 796 V 4.3938 8.6675 123.0766 61.1760 34.0472 174.8980 797 S 4.3679 8.9467 125.1057 57.7299 62.8456 172.7117 798 A 3.8621 8.6180 130.2510 50.0717 17.3064 175.9501 799 G 3.8307 7.6158 107.6816 44.6304 0.0000 171.2832 800 F 4.9590 8.5396 119.9979 57.0055 39.4223 176.9900 801 D 4.0899 8.2645 119.8917 54.6386 39.7319 177.0813 802 A 4.4055 8.1543 122.4055 52.8835 18.9979 177.2976 803 A 5.4665 7.9376 119.2641 50.8668 19.1618 176.8251 804 E 4.2031 8.6674 121.1811 57.8398 29.9838 177.1225 805 G 4.0126 9.0404 113.0392 45.6185 0.0000 172.8930 806 H 4.6812 7.9170 118.0695 52.8599 29.4901 172.6405 807 P 4.6317 0.0000 0.0000 61.8909 31.9434 175.8562 808 A 4.4662 8.5062 122.3647 52.5660 18.6040 175.4287 809 P 5.0613 0.0000 0.0000 63.1904 31.9347 176.5717 810 L 4.6131 8.2339 118.5078 55.1669 42.2313 178.9297 811 G 4.3698 7.9024 113.7583 42.5807 0.0000 172.6515 812 G 3.8481 7.1676 106.8328 45.9857 0.0000 172.8956 813 Y 4.8975 7.7921 115.9389 56.5335 40.4048 175.5092 814 H 4.9326 9.2925 117.4042 55.4564 30.0269 174.5204 815 V 3.6257 7.5926 120.3651 62.8473 31.9619 175.7965 816 S 4.8822 9.6193 122.9296 57.1390 65.6400 174.9184 817 A 4.1100 8.6041 124.3625 55.6876 18.1238 179.6796 818 K 3.7971 8.2444 117.0288 60.0185 32.0780 177.9686 819 C 4.0275 8.1470 118.6008 62.6269 31.4789 175.2221 820 F 3.7655 7.5593 118.8580 60.8407 38.5951 178.1335 821 G 3.8491 8.5799 105.0609 47.9368 0.0000 174.9074 822 Y 4.5206 7.8543 120.9885 60.5724 38.9600 177.2722 823 M 3.2736 8.0860 120.0130 58.3991 31.9706 178.6016 824 T 4.2110 8.0553 115.7792 67.1654 68.5478 176.3537 825 Q 4.1219 8.0029 119.6116 59.2904 28.8710 177.9604 826 Q 4.1357 8.0623 119.2488 58.7031 28.7945 178.3838 827 L 4.2303 8.2148 119.9080 57.6314 41.7556 178.8927 828 M 4.3551 7.9734 117.5753 57.2849 31.7359 177.8999 829 N 4.5433 7.8511 115.5516 54.2922 39.1237 174.9679 830 L 4.4902 7.4952 120.4018 53.9579 43.5640 175.9163 831 A 3.9602 8.6009 119.8485 52.4250 15.9945 178.6117 832 G 4.1017 9.3558 104.0449 48.0509 0.0000 175.5557 833 G 4.0937 8.9612 106.0133 44.4627 0.0000 174.9779 834 A 4.3928 7.9736 123.2808 50.8801 18.2473 176.1564 835 V 4.8226 8.0920 119.6179 61.3475 35.5282 173.9598 836 V 4.8994 8.8733 127.2026 61.1866 34.4813 173.9636 837 L 4.9142 9.0059 128.0273 53.1213 44.1720 175.3911 838 A 4.7219 8.4143 124.0856 49.4530 22.1682 175.2574 839 L 4.6314 8.2708 125.0846 54.1926 42.8578 174.8291 840 E 4.5347 8.5657 122.7592 57.0155 32.0576 180.1086 841 G 3.9553 8.9833 122.8414 45.9930 0.0000 171.4857 842 G 4.5235 9.3100 109.7412 46.6811 0.0000 172.9297 843 H 4.8375 8.8035 119.7883 55.2381 30.7867 174.4688 844 D 4.4047 7.9064 120.5911 54.0000 41.9015 176.4283 845 L 4.0791 8.6097 128.0146 57.9493 41.6926 179.5373 846 T 3.8754 8.0040 109.2665 64.6590 68.8864 176.4875 847 A 3.9696 8.6394 124.3845 54.8298 18.3797 179.6381 848 I 3.6572 8.0130 111.5049 63.9060 37.7357 178.3197 849 C 4.0675 8.0207 118.6833 62.6067 27.8679 175.5109 850 D 4.2525 8.2219 120.4124 57.3589 40.4820 178.8374 851 A 3.7578 7.8085 121.0049 55.2537 18.2224 179.8797 852 S 3.9341 7.6778 113.9388 61.4010 62.8162 176.5287 853 E 3.7337 8.2258 122.0117 59.2616 29.4984 178.8084 854 A 4.0192 8.1387 120.9637 55.2770 18.4091 179.4879 855 C 4.2989 8.2738 115.2422 63.0982 28.4068 176.4031 856 V 3.6067 7.9208 119.7265 65.8554 31.0155 177.6323 857 A 3.9581 8.1155 120.2689 55.3289 18.1722 179.4428 858 A 4.4894 7.8914 120.0973 54.9384 18.2565 179.8479 859 L 4.0435 7.8594 116.3862 57.8889 41.8391 179.2280 860 L 4.2598 7.7332 116.5270 55.4963 41.6820 177.8501 861 G 4.0985 7.9660 107.3676 45.0165 0.0000 173.5471 862 N 4.5137 8.4223 118.9015 52.9893 39.0116 174.3445 863 R 4.7089 8.3983 122.2354 54.5376 32.0050 175.8976 864 V 3.9131 8.3365 121.8722 61.7653 32.8331 175.4258 865 D 4.5952 8.1607 127.1211 50.9156 38.8089 174.1869 866 P 4.4344 0.0000 0.0000 64.2921 32.2136 177.6633 867 L 4.0012 8.6519 118.5480 54.8135 39.7003 177.0942 868 S 4.3669 7.4330 108.3742 59.3709 63.0888 174.5009 869 E 4.0247 7.6450 125.3835 54.9539 29.9172 175.0017 *870 E 4.3848 8.1336 121.0558 56.4011 30.6892 174.7002 871 G 4.3395 8.8791 106.3400 46.6981 0.0000 175.3743 872 W 4.6111 7.8319 116.0167 57.5929 29.0407 176.9738 873 K 4.3510 7.9861 117.3982 57.2498 32.3066 177.1254 874 Q 4.2258 7.4099 118.6469 55.1282 29.2494 176.2252 875 K 4.1748 8.4056 121.7330 55.3045 32.8251 175.4292 876 P 4.3869 0.0000 0.0000 62.4823 31.9556 176.3674 877 N 4.5525 9.5378 119.5140 52.6605 39.3220 176.1266 878 L 3.9843 8.2612 121.7200 58.1610 42.1158 178.3782 879 N 4.3381 8.2639 115.8875 56.4401 38.4649 177.0619 880 A 4.3282 8.2038 121.9161 55.0427 18.3864 179.7316 881 I 3.6984 7.9474 118.7539 64.5761 37.3798 178.6635 882 R 4.1555 8.1652 116.0394 58.4659 29.5243 178.9973 883 S 4.1783 7.9014 116.4564 61.6694 62.9575 176.4309 884 L 3.9350 8.2782 121.8074 57.5355 41.3108 179.1797 885 E 3.9320 8.2457 119.3949 58.9818 29.6667 178.6621 886 A 4.0119 7.9736 120.8732 54.8791 18.3969 179.7967 887 V 3.5030 7.5936 116.2841 66.2136 31.5619 178.2550 888 I 3.6946 7.8129 119.5711 64.4870 36.7424 178.3752 889 R 3.8530 7.8023 118.1458 59.3177 29.8048 178.5433 890 V 3.7226 7.7176 117.5545 66.3048 31.6810 177.3050 891 H 4.8318 8.4072 114.3552 56.7858 28.6914 177.2274 892 S 4.2758 8.2009 116.5496 60.9110 62.6348 176.0453 893 K 3.7522 7.4538 122.3767 58.6034 31.7950 176.6751 894 Y 4.3625 7.6924 114.5205 57.0839 40.5536 175.7834 895 W 4.9443 7.8997 119.2753 54.3517 32.5809 176.2134 896 G 3.7202 9.5018 113.2641 48.8485 0.0000 175.4143 897 C 4.2818 8.4940 113.7222 60.1386 29.5520 174.0870 898 M 4.3370 7.8828 118.5388 55.2115 32.3469 175.7290 899 Q 4.3473 7.8026 119.4426 54.6713 29.0299 175.2914 900 R 4.6816 8.1049 119.0316 53.4289 32.3859 175.6491 901 L 4.0939 8.4316 119.2137 55.6032 41.9964 176.7567 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 516 L 8.17 4.38 0.00 1.84 1.74 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 517 P 0.00 4.41 0.00 2.32 2.10 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 518 F 9.47 4.86 0.00 2.98 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 0.00 519 T 7.13 4.81 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 1.22 0.00 0.00 520 T 7.91 4.77 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 521 G 9.04 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 0.00 0.00 0.00 0.00 522 L 9.17 6.05 0.00 1.89 2.00 0.98 0.85 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 0.00 523 I 8.45 5.09 1.99 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 1.33 1.06 1.00 0.00 0.00 524 Y 8.79 4.77 0.00 1.90 1.43 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 0.00 525 D 7.14 4.48 0.00 2.88 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 0.00 0.00 0.00 0.00 526 S 8.25 3.85 0.00 3.92 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 0.00 527 V 7.68 3.31 1.07 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 0.71 0.00 0.00 0.07 0.00 0.00 528 M 7.44 4.08 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 529 L 7.72 4.13 0.00 1.56 1.66 0.92 0.86 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 0.00 530 K 7.36 4.24 0.00 1.49 1.47 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.39 7.81 531 H 7.24 4.24 0.00 3.05 3.22 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 Q 7.76 4.46 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 533 C 8.40 4.20 0.00 2.66 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 0.00 534 S 8.51 4.27 0.00 4.01 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 0.00 535 C 8.04 4.19 0.00 3.16 3.28 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 0.00 536 G 7.94 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 0.00 537 D 7.55 4.55 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.67 0.00 2.66 2.67 0.00 0.00 7.10 7.57 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 0.00 539 S 8.11 4.56 0.00 3.96 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 0.00 540 R 7.51 4.26 0.00 1.62 1.82 0.00 3.17 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 541 H 7.44 4.97 0.00 3.18 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 P 0.00 4.32 0.00 2.02 2.01 0.00 3.85 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 2.07 2.04 0.00 543 E 6.65 3.92 0.00 1.16 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 0.00 0.00 0.00 2.04 2.12 0.00 544 H 7.52 4.93 0.00 3.47 3.58 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 A 8.54 4.15 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 0.00 546 G 8.41 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 0.00 547 R 7.84 3.95 0.00 1.94 2.03 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 548 I 7.75 4.07 2.17 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 1.04 0.00 0.00 549 Q 8.12 4.14 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 550 S 8.32 4.14 0.00 4.11 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 0.00 551 I 7.59 3.67 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.97 0.00 0.00 552 W 8.31 4.17 0.00 2.82 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 0.00 553 S 8.09 3.74 0.00 4.06 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 0.00 554 R 7.92 3.81 0.00 1.93 2.22 0.00 3.06 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 555 L 7.51 3.91 0.00 1.43 1.40 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 556 Q 7.15 3.74 0.00 1.60 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 557 E 7.98 3.88 0.00 2.07 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 2.28 2.31 0.00 558 R 7.68 4.22 0.00 1.70 1.88 0.00 3.62 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 559 G 7.65 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 0.00 560 L 7.61 4.06 0.00 1.68 1.62 0.83 0.77 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 0.00 561 R 7.80 3.69 0.00 1.59 1.60 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.88 0.00 562 S 7.81 4.20 0.00 4.03 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 0.00 563 Q 7.91 4.16 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 564 C 6.94 4.69 0.00 2.97 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 0.00 565 E 9.09 4.32 0.00 2.13 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 2.35 2.41 0.00 566 C 8.85 5.34 0.00 3.08 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 0.00 567 L 9.18 4.97 0.00 1.63 1.60 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 568 R 8.43 5.03 0.00 2.00 2.39 0.00 3.33 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 569 G 9.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 570 R 6.61 2.82 0.00 1.37 1.57 0.00 2.73 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.00 571 K 7.61 4.33 0.00 1.55 1.71 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.78 7.81 572 A 8.67 4.30 1.11 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 0.00 0.00 573 S 9.13 4.29 0.00 3.94 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 0.00 574 L 8.43 3.92 0.00 1.72 1.74 0.93 0.86 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 0.00 575 E 8.04 3.96 0.00 1.90 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 2.30 2.38 0.00 576 E 7.86 4.44 0.00 2.11 1.94 0.00 0.00 0.00 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 2.14 0.00 577 L 7.75 3.91 0.00 1.70 1.47 0.30 0.09 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 0.00 578 Q 8.48 4.72 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 579 S 7.65 3.93 0.00 4.00 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 0.00 580 V 7.56 4.14 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 0.70 0.00 0.00 0.87 0.00 0.00 581 H 8.10 4.94 0.00 3.46 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 691 Q 8.47 4.12 0.00 2.36 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 692 L 8.12 3.54 0.00 1.96 1.58 0.06 0.76 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 0.00 693 Q 8.11 3.94 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 694 Q 8.20 4.06 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.21 0.00 0.00 0.00 0.00 0.00 2.43 2.76 0.00 695 Q 8.12 4.42 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 696 S 7.94 3.71 0.00 4.04 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 0.00 697 K 8.24 4.22 0.00 1.53 1.46 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 1.27 7.81 698 A 7.37 4.57 1.11 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 0.00 0.00 699 S 8.94 4.26 0.00 3.98 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 0.00 700 K 8.70 4.81 0.00 1.54 1.24 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.07 1.16 7.81 701 I 8.80 5.00 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.86 0.00 0.00 702 L 8.72 4.84 0.00 1.90 1.57 0.83 0.83 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 I 9.04 4.85 2.03 0.00 0.00 0.59 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 0.30 1.04 0.00 0.00 704 V 8.52 4.47 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 1.09 0.00 0.00 0.84 0.00 0.00 705 D 9.00 5.10 0.00 2.87 2.46 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 0.00 706 W 7.94 5.25 0.00 3.63 3.64 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 0.00 707 D 8.24 4.91 0.00 2.61 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 0.00 708 V 9.28 4.00 2.15 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 0.75 0.00 0.00 0.62 0.00 0.00 709 H 8.49 5.30 0.00 3.45 3.63 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 710 H 8.81 4.30 0.00 2.66 3.16 0.00 5.92 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 0.00 711 G 8.73 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 0.00 712 N 8.08 4.28 0.00 2.90 3.05 0.00 0.00 6.00 6.92 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 0.00 713 G 7.87 3.74 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 0.00 0.00 0.00 714 T 7.52 3.74 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 1.05 0.00 0.00 715 Q 7.28 3.74 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 716 Q 7.85 3.92 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 717 T 7.43 3.58 3.57 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 0.11 0.00 0.00 718 F 7.46 4.85 0.00 3.12 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 0.00 719 Y 7.71 4.11 0.00 3.21 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 0.00 720 Q 8.11 4.64 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 721 D 8.08 4.77 0.00 2.75 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 0.00 722 P 0.00 3.47 0.00 1.66 2.11 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 723 S 8.28 4.54 0.00 4.07 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 0.00 724 V 7.48 4.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.63 0.00 0.00 725 L 8.47 4.68 0.00 0.46 0.56 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 726 Y 8.63 5.05 0.00 3.09 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 0.00 727 I 8.47 4.58 1.56 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 0.78 0.40 0.64 0.00 0.00 728 S 8.38 4.88 0.00 3.52 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 0.00 729 L 8.41 4.97 0.00 1.87 1.54 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 730 H 8.48 5.33 0.00 3.61 3.64 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 731 R 8.87 4.58 0.00 1.12 1.50 0.00 2.26 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.27 0.00 732 H 9.21 4.79 0.00 3.24 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 D 9.47 4.35 0.00 2.90 2.81 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 0.00 734 D 9.07 4.39 0.00 2.87 2.80 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 0.00 735 G 8.33 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 0.00 0.00 0.00 736 N 7.75 4.99 0.00 3.06 2.90 0.00 0.00 6.57 7.33 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 0.00 737 F 7.79 5.07 0.00 3.07 2.97 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 0.00 738 F 7.68 4.11 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 739 P 0.00 3.21 0.00 1.57 0.53 0.00 3.73 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 740 G 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 757 V 9.11 4.32 1.78 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 0.67 0.00 0.00 0.56 0.00 0.00 758 N 8.73 4.95 0.00 2.63 2.88 0.00 0.00 7.11 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 0.00 759 V 8.84 3.53 1.62 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 -0.31 0.00 0.00 0.57 0.00 0.00 760 A 7.66 4.16 1.11 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 0.00 0.00 761 W 8.80 4.63 0.00 3.43 3.08 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 0.00 762 A 9.19 5.15 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 0.00 763 G 9.06 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 0.00 764 G 8.28 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 V 7.92 3.61 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 0.95 0.00 0.00 0.50 0.00 0.00 857 A 8.12 3.96 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 0.00 858 A 7.89 4.49 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 L 7.86 4.04 0.00 2.01 1.82 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 860 L 7.73 4.26 0.00 1.86 1.72 0.93 1.02 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 0.00 861 G 7.97 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 0.00 862 N 8.42 4.51 0.00 2.85 2.77 0.00 0.00 6.90 7.82 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 0.00 863 R 8.40 4.71 0.00 1.82 1.90 0.00 3.25 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 864 V 8.34 3.91 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 0.65 0.00 0.00 1.03 0.00 0.00 865 D 8.16 4.60 0.00 2.82 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 0.00 866 P 0.00 4.43 0.00 2.33 2.16 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 867 L 8.65 4.00 0.00 1.79 1.89 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 868 S 7.43 4.37 0.00 3.85 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 0.00 869 E 7.65 4.02 0.00 1.16 1.12 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 1.47 1.47 0.00 *870 E 8.13 4.38 0.00 2.03 1.74 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 2.23 1.88 0.00 871 G 8.88 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 0.00 0.00 0.00 0.00 872 W 7.83 4.61 0.00 3.41 3.18 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 0.00 873 K 7.99 4.35 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 874 Q 7.41 4.23 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 875 K 8.41 4.17 0.00 1.73 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 876 P 0.00 4.39 0.00 2.14 2.17 0.00 3.76 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 1.98 1.96 0.00 877 N 9.54 4.55 0.00 2.91 2.99 0.00 0.00 6.67 5.91 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 0.00 878 L 8.26 3.98 0.00 1.77 1.69 0.93 0.57 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 0.00 879 N 8.26 4.34 0.00 2.95 3.11 0.00 0.00 7.04 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 0.00 880 A 8.20 4.33 1.08 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 0.00 0.00 881 I 7.95 3.70 2.01 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 1.80 0.80 0.93 0.00 0.00 882 R 8.17 4.16 0.00 2.08 2.21 0.00 2.79 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 883 S 7.90 4.18 0.00 4.34 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 0.00 884 L 8.28 3.93 0.00 1.76 1.69 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 885 E 8.25 3.93 0.00 2.10 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 2.31 2.37 0.00 886 A 7.97 4.01 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 0.00 887 V 7.59 3.50 2.14 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 0.90 0.00 0.00 0.82 0.00 0.00 888 I 7.81 3.69 1.86 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 1.38 0.57 0.95 0.00 0.00 889 R 7.80 3.85 0.00 2.01 2.08 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 890 V 7.72 3.72 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 1.00 0.00 0.00 0.96 0.00 0.00 891 H 8.41 4.83 0.00 3.46 3.64 0.00 5.69 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 0.00 892 S 8.20 4.28 0.00 3.99 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 0.00 893 K 7.45 3.75 0.00 1.44 0.74 0.00 1.51 0.00 0.00 1.25 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.67 1.10 7.81 894 Y 7.69 4.36 0.00 2.74 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 0.00 895 W 7.90 4.94 0.00 3.32 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 0.00 896 G 9.50 3.72 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 0.00 0.00 0.00 897 C 8.49 4.28 0.00 3.10 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 0.00 898 M 7.88 4.34 0.00 2.14 2.51 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 899 Q 7.80 4.35 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 900 R 8.10 4.68 0.00 1.88 1.88 0.00 3.04 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 901 L 8.43 4.09 0.00 1.60 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.