NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.3996 8.3049 120.3264 54.8614 33.3365 174.3577 502 R 4.0001 7.9795 119.6942 55.0260 31.0179 173.9611 503 G 4.2069 9.2853 106.5329 44.0007 0.0000 173.7596 504 L 4.2576 8.1679 120.8134 53.7169 42.4730 177.6119 505 S 4.4135 8.3869 115.8147 58.4732 63.6401 174.6155 506 R 4.6986 8.4425 114.6819 56.1604 29.5412 177.1904 507 R 4.3477 7.7996 115.9793 57.2426 30.5253 177.6026 508 V 4.4355 7.1909 117.3294 62.4802 32.2179 177.0186 509 Q 4.2027 7.4144 119.6817 57.7430 29.2329 176.2589 510 A 4.4218 7.3175 120.2393 51.5867 19.7623 177.1339 511 M 4.3248 7.5180 115.3180 54.6962 32.2394 176.4108 512 K 4.2805 9.0602 122.1273 55.1061 33.1680 175.4328 513 P 4.4379 0.0000 0.0000 62.3131 32.2173 175.9071 514 D 4.4292 8.3751 120.1633 53.9494 41.7697 177.7719 515 A 4.0306 8.5771 126.2780 54.9552 18.4660 180.1768 516 V 3.6097 7.6733 117.2331 65.1768 31.8440 178.4580 517 V 3.5647 7.9127 119.1039 65.4001 31.1038 177.6623 518 A 4.0048 8.0528 120.3700 55.1938 18.1627 179.8566 519 V 3.5934 8.0552 116.8862 66.0131 31.5085 177.8509 520 N 4.2924 8.4705 116.1871 56.3198 38.4661 176.7824 521 A 4.0031 7.8418 121.4845 55.6062 18.3245 179.5376 522 K 3.8178 7.8617 116.2761 59.5814 32.1789 178.8808 523 A 3.9510 8.2879 120.8313 55.7399 18.3114 178.8576 524 L 3.8130 8.3045 118.3383 58.7437 41.8601 178.8803 525 E 4.0405 8.1359 116.8949 59.8637 29.5340 179.0756 526 L 4.1412 7.8225 119.1934 57.6731 41.5386 179.5653 527 R 4.9995 7.8275 118.1702 58.4134 30.0603 178.1434 528 R 4.3602 8.2476 116.2565 56.2021 31.6643 176.3102 529 Q 4.5975 8.0794 116.2706 54.8903 30.4510 176.6594 530 G 3.5188 7.7607 115.0681 46.3319 0.0000 176.2966 531 V 2.8657 8.1425 123.6050 63.5304 29.5013 171.7063 532 D 5.0953 8.5463 131.8406 51.4465 39.8123 175.3614 533 L 4.8316 8.1635 124.8101 53.3286 42.7418 176.5097 534 V 3.6522 8.6459 124.9058 62.9889 32.5987 174.5118 535 A 5.0182 8.6623 130.2261 49.9270 20.1309 175.7109 536 L 4.2117 8.3969 125.6071 56.5608 41.8825 179.4877 537 T 4.2022 8.3591 109.8629 63.5389 69.7432 174.3886 538 A 4.2179 7.8442 127.2766 51.3681 20.1417 178.5366 539 G 4.8317 8.8535 111.0821 43.6715 0.0000 173.7198 540 E 4.6282 7.3390 114.7619 53.6641 32.9528 174.4835 541 P 4.1881 0.0000 0.0000 62.9776 31.9916 175.3085 542 D 4.6954 8.1309 117.1606 54.0323 40.8532 177.2878 543 F 4.4894 7.8396 117.6301 57.7312 39.5378 173.5877 544 D 4.9665 8.6235 122.3669 52.2244 42.7776 175.9332 545 T 3.8044 8.6645 118.6572 61.4100 67.8789 171.8097 546 P 4.0507 0.0000 0.0000 62.5828 33.4066 176.9448 547 E 3.9801 8.7570 120.9072 59.8348 29.5156 179.3601 548 H 4.3461 8.3030 114.6423 58.6202 28.0679 177.5827 549 V 3.3100 7.1602 119.6733 65.3839 31.7799 177.6903 550 K 4.1996 7.6996 117.8990 59.2963 31.7841 179.0104 551 E 3.9283 8.6917 119.0970 59.6159 29.5295 179.4584 552 A 3.9688 7.6181 119.2802 54.5984 18.4855 179.2044 553 A 4.2786 7.9620 119.2739 54.6350 18.6919 179.9372 554 R 3.9842 7.7921 116.5827 59.2169 30.4924 178.7921 555 R 4.0007 8.2818 118.5919 59.0311 29.8923 178.5983 556 A 3.6868 7.8242 120.6661 55.0654 18.3951 179.5068 557 L 3.8686 7.7823 116.9455 58.0062 41.4802 179.6692 558 A 3.9812 8.2801 119.8771 54.6447 18.2655 178.6554 559 Q 4.3692 7.5144 113.7074 54.4254 29.7457 176.0254 560 G 3.9499 7.8932 107.6839 46.6908 0.0000 174.3579 561 K 4.3531 8.0189 113.3740 56.6971 32.2201 178.1544 562 T 4.5375 7.6578 103.6825 61.4588 69.4492 174.7501 563 K 4.3209 7.7992 122.3708 55.7867 34.1781 175.7717 564 Y 4.5789 8.1447 116.6852 58.4149 38.3737 174.9280 565 A 4.8915 8.1768 122.9763 49.3928 22.5989 174.3801 566 P 4.4160 0.0000 0.0000 62.0127 31.8988 176.3264 567 P 4.9137 0.0000 0.0000 64.9914 31.5735 177.0085 568 A 4.2492 7.9553 120.3916 51.9648 19.3451 177.5786 569 G 4.1865 8.1649 102.8161 44.6020 0.0000 173.8319 570 I 3.6546 8.5056 114.0695 60.4885 37.6991 175.6272 571 P 4.2938 0.0000 0.0000 65.0912 31.3600 178.6559 572 E 4.0335 7.7509 117.5114 59.2250 29.7940 178.4958 573 L 3.7573 7.4432 119.7128 58.0754 41.8488 178.8169 574 R 3.8557 7.5834 117.8782 59.0265 29.7285 177.6264 575 E 4.0997 8.1170 118.8739 58.5432 29.7025 178.2489 576 A 4.0086 7.7518 120.3899 54.6647 18.5554 179.3897 577 L 3.6165 7.7355 117.5268 57.4517 41.4536 178.8206 578 A 4.3511 7.6693 118.6016 53.5861 18.3722 178.3912 579 E 4.3266 7.6958 115.9826 57.1711 30.7331 177.7094 580 K 4.0059 7.6769 120.3214 59.3089 32.3097 178.7525 581 F 4.4074 7.6542 117.6310 60.5176 38.6200 177.6013 582 R 4.9933 7.0735 115.6909 58.1721 30.2895 178.4110 583 R 4.0212 8.6125 118.9288 60.4037 30.2228 178.1483 584 E 4.1483 8.6581 119.4017 58.9187 29.2908 178.0823 585 N 4.6454 7.9816 117.4418 53.7869 39.0860 176.6791 586 G 3.9525 7.8654 107.6416 45.8512 0.0000 174.2954 587 L 4.2418 7.7414 120.0107 55.0109 42.1938 176.5005 588 S 5.0213 8.1872 115.6012 56.4039 63.4690 173.7775 589 V 4.6747 7.9423 116.2852 59.3839 34.9562 175.4213 590 T 4.6137 8.2521 112.1103 59.1575 71.0317 173.9076 591 P 4.4771 0.0000 0.0000 64.9874 31.4496 178.8051 592 E 4.0637 8.2109 116.3244 58.8019 29.6799 177.0006 593 E 4.7156 8.3794 118.0223 56.4735 30.6658 175.7588 594 T 5.1573 7.8617 115.7346 62.2051 72.8646 172.9954 595 I 4.4788 8.3964 121.5516 60.1740 42.0919 173.1398 596 V 4.9405 8.2795 129.4325 61.7391 32.7830 174.8288 597 T 4.6773 8.8171 117.2623 59.4032 72.5827 174.0502 598 V 3.9434 7.6126 122.7854 60.6597 29.8031 175.6634 599 G 4.0171 8.3530 111.9708 44.3471 0.0000 172.1692 600 G 3.4979 8.3214 103.9662 47.4938 0.0000 175.9475 601 S 4.3472 8.0822 117.0181 61.8579 62.9046 176.7263 602 Q 4.0586 7.6891 119.8718 59.0190 28.3850 178.7893 603 A 4.2170 8.0671 120.9986 54.4956 18.2727 179.3682 604 L 3.8886 7.6028 117.5432 57.4298 41.9746 178.8697 605 F 4.0856 8.5839 120.9323 61.4735 39.3523 176.9068 606 N 4.5114 8.8327 116.5577 55.8983 38.5145 177.1408 607 L 3.8196 7.3289 120.4132 58.2766 42.2693 179.1525 608 F 4.6882 8.2450 117.8786 60.3947 38.6200 177.6613 609 Q 4.0403 7.5635 115.3568 57.9095 28.6696 177.3582 610 A 4.4045 7.6972 119.7933 52.5513 19.2306 177.4480 611 I 4.4216 7.2720 107.1569 59.8096 38.9146 175.2208 612 L 4.5500 7.8112 121.6811 53.4127 42.6515 175.7144 613 D 4.8432 8.0586 123.5767 51.7847 42.5379 174.6434 614 P 4.3258 0.0000 0.0000 64.4450 31.6612 177.2785 615 G 3.9218 9.0076 110.2586 45.5404 0.0000 173.5543 616 D 4.5976 7.7407 119.6852 54.2406 42.2545 175.1970 617 E 4.9575 8.3422 119.8889 55.0383 32.1958 175.3425 618 V 4.6545 8.4325 122.4834 61.2239 35.1645 174.1572 619 I 5.3591 8.4855 129.2352 60.0517 38.2609 175.1860 620 V 4.6361 8.3237 120.4516 59.5580 34.5479 174.7832 621 L 5.2762 8.5373 123.9275 53.2491 42.7020 176.3287 622 S 4.5123 9.0302 119.6113 56.8179 64.9818 172.0397 623 P 4.4189 0.0000 0.0000 62.6865 31.6844 175.1316 624 Y 5.1701 7.6695 121.0550 54.4387 41.8694 174.7837 625 W 4.5856 9.5508 130.2645 57.7151 31.3872 177.5733 626 V 2.9455 7.4108 125.3798 65.7919 31.8574 177.9048 627 S 3.7102 5.8800 115.9673 62.0084 62.6076 176.7908 628 Y 4.4830 6.2839 118.8803 60.3486 37.7603 177.1209 629 P 4.0004 0.0000 0.0000 65.5594 31.5167 178.5027 630 E 3.9170 7.9518 116.8439 59.4745 28.7251 179.3692 631 M 4.1285 8.0467 118.6672 58.4377 31.9721 178.8559 632 V 3.0597 7.5426 118.1157 65.6620 31.4424 178.0143 633 R 4.1786 8.2213 117.9624 58.4710 30.0637 178.2699 634 F 4.2027 8.0501 118.4652 60.0315 39.4704 175.8985 635 A 4.4001 7.3317 117.4729 51.9795 19.5758 177.3816 636 G 3.8955 8.0498 105.9722 45.1012 0.0000 174.3058 637 G 4.0580 7.2318 106.0753 46.2127 0.0000 173.2120 638 V 4.5362 8.8039 112.4657 59.2329 35.3846 175.7428 639 V 4.1780 8.3287 124.6283 62.1956 32.3056 175.4392 640 V 4.3250 8.5914 129.9081 61.2732 32.9803 173.8020 641 E 5.2413 8.7181 126.5972 54.7957 31.4317 175.3749 642 V 4.3340 8.6398 124.3740 61.4073 33.3809 175.0235 643 E 4.7784 9.0671 126.9788 55.8071 30.5616 176.0961 644 T 4.7192 8.5523 111.4408 60.0481 72.3366 172.6274 645 L 4.5825 8.3809 125.0082 52.4724 43.4847 175.9776 646 P 2.9700 0.0000 0.0000 65.0998 31.3290 178.3531 647 E 3.9146 7.8644 115.7519 58.3622 29.7436 177.1148 648 E 4.2829 7.8024 116.6960 55.5797 30.0828 175.8382 649 G 3.6948 7.7519 107.3768 46.5198 0.0000 176.0993 650 F 4.1328 8.2811 116.1458 56.8530 38.2976 176.3806 651 V 3.4200 7.5822 121.1871 60.1986 31.7911 174.5901 652 P 4.2078 0.0000 0.0000 62.6216 32.0819 175.2869 653 D 4.7127 8.3460 119.9131 51.8109 41.8890 175.0150 654 P 4.3067 0.0000 0.0000 65.3793 30.9257 177.2406 655 E 4.0715 8.2906 119.1942 58.9595 29.6604 178.1697 656 R 3.9580 7.4835 116.8253 58.9944 30.2507 179.1225 657 V 3.7159 7.6667 117.6627 66.0705 31.9155 177.6567 658 R 3.9061 8.1580 118.8504 59.7310 29.5805 178.1399 659 R 3.8958 8.2136 117.4579 59.4394 30.1257 177.8100 660 A 4.3603 7.9729 118.4597 52.4806 18.5491 177.3348 661 I 3.5850 7.2692 118.6747 61.5686 36.8095 175.6805 662 T 4.5474 8.0147 115.5153 59.0209 71.1111 173.1510 663 P 4.5120 0.0000 0.0000 63.9520 31.3543 177.8130 664 R 4.1080 7.9175 117.7254 58.0839 30.6625 175.3660 665 T 3.8408 6.9887 114.4929 63.8450 68.4227 172.7458 666 K 4.5112 9.1202 128.7434 57.6411 34.1216 175.9713 667 A 5.7829 7.5646 118.9216 49.7377 23.4046 174.6677 668 L 4.9403 8.5801 120.3345 53.2757 45.6273 175.2343 669 V 4.6493 8.6061 126.7680 61.6904 32.4700 175.1277 670 V 4.5923 8.4239 121.5828 59.8335 34.8437 175.0676 671 N 5.2584 8.6986 121.5122 51.8804 40.3013 172.0616 672 S 4.3384 8.1727 118.2529 55.0605 64.7897 171.5570 673 P 4.5128 0.0000 0.0000 63.1099 32.3117 174.7556 674 N 4.9531 8.2137 118.0456 51.8713 41.1928 172.9410 675 N 4.9859 8.5311 123.4141 51.3143 40.8160 172.2866 676 P 4.4092 0.0000 0.0000 62.6943 31.8368 176.2382 677 T 3.7620 7.6628 109.8040 62.4599 69.4203 176.0006 678 G 3.8786 8.5839 110.2367 44.9714 0.0000 172.6669 679 A 4.5120 7.6718 122.0592 51.9133 19.5860 177.0013 680 V 4.1956 8.4248 123.0880 61.1998 32.6041 175.0608 681 Y 4.6683 8.2619 127.3717 57.4495 38.3451 174.8108 682 P 4.4905 0.0000 0.0000 62.5881 32.7921 177.8240 683 K 3.9145 8.3472 122.5381 59.4313 32.9278 178.2547 684 E 3.8768 8.0342 118.6375 59.0041 29.3916 179.4982 685 V 3.5557 8.0052 118.6155 66.0116 31.7633 177.9734 686 L 4.1726 8.0105 118.2878 58.0714 41.3238 179.0551 687 E 4.1775 8.4442 117.9793 58.5291 29.8753 178.5462 688 A 4.1461 7.7395 120.7534 55.2237 18.6147 179.4287 689 L 4.0248 8.4648 117.6236 57.9821 41.6395 179.8276 690 A 4.0256 7.9794 120.2446 55.2687 18.3511 179.8836 691 R 3.9336 7.8968 115.8365 58.6347 29.9403 179.3450 692 L 3.9725 7.7144 118.8683 57.6115 41.7277 178.8658 693 A 2.0000 7.3854 120.8200 54.2943 17.6996 179.9699 694 V 2.9471 7.2855 116.5976 65.9739 31.4297 177.9674 695 E 3.7811 8.0239 118.5396 58.7870 29.5480 176.9910 696 H 4.7842 8.0172 113.2463 54.5671 29.3299 173.9586 697 D 4.2728 7.3431 118.2828 54.3508 39.0297 172.0568 698 F 4.9620 8.1051 114.9658 55.1665 42.0139 174.5477 699 Y 4.7590 8.8803 117.8972 57.9947 39.3836 174.6861 700 L 4.9977 9.3249 125.8038 53.4813 44.6145 175.1738 701 V 4.4279 8.6509 127.5820 62.0989 33.3424 174.7110 702 S 4.5737 8.7741 122.0873 56.1646 64.6175 173.3609 703 D 4.9653 8.4728 132.8355 52.2661 38.6067 176.8775 704 E 4.4018 7.6157 119.5408 55.8544 29.6406 178.9215 705 I 3.7399 7.3189 118.0170 63.5886 38.8400 175.5054 706 Y 4.4057 7.6513 116.8189 57.6443 38.1457 176.8157 707 E 3.6586 7.4631 119.7553 59.6725 29.2798 178.1894 708 H 4.2891 7.9461 114.3872 57.0196 29.9807 175.8196 709 L 4.1722 7.7629 123.0430 53.3505 39.9509 176.7456 710 L 4.4560 6.8844 119.0952 53.0650 43.1863 175.2111 711 Y 4.4790 7.6652 124.5015 60.3580 38.0821 177.0914 712 E 4.4631 8.2945 117.3344 55.5115 31.7954 174.2093 713 G 4.0971 8.1361 110.0593 43.1567 0.0000 171.5655 714 E 4.6713 8.2894 117.1759 54.4693 31.9829 174.9490 715 H 4.5973 8.7453 120.7506 54.8740 30.3035 173.8510 716 F 4.7674 8.5485 129.2589 56.4369 41.0945 174.7185 717 S 4.5807 7.5349 124.0016 56.0091 63.6118 173.2744 718 P 4.3407 0.0000 0.0000 65.2755 31.1228 178.6773 719 G 3.6855 7.8732 107.0333 48.1080 0.0000 174.8552 720 R 3.9565 7.5310 118.8812 59.1650 30.1725 178.4419 721 V 3.7295 7.8459 116.9077 65.1297 31.9834 176.8939 722 A 4.6378 7.4894 126.7784 49.5941 18.0852 174.8636 723 P 4.4865 0.0000 0.0000 64.5174 32.0979 178.3106 724 E 4.3440 8.1461 117.1560 57.5495 30.3092 176.1343 725 H 4.9292 8.1700 113.9928 56.0232 31.5824 174.3090 726 T 4.7476 7.9222 115.5212 62.9669 69.5770 174.8249 727 L 4.6780 9.3025 127.8987 53.1063 43.9799 174.7321 728 T 4.3027 8.2888 122.7823 63.2758 69.3526 173.7484 729 V 4.4882 8.9265 126.0552 61.4628 33.6299 173.7220 730 N 5.0081 8.4807 128.9295 53.7088 42.1142 173.1546 731 G 3.3772 7.4996 100.8797 45.2524 0.0000 173.1181 732 A 4.9488 8.0042 124.6542 52.1170 17.9805 178.3688 733 A 4.3815 8.0227 123.4482 54.6299 19.7712 180.2306 734 K 4.3042 7.8028 113.3076 58.0818 33.6643 177.6151 735 A 3.9161 7.7601 119.8460 54.4597 18.0090 178.0895 736 F 4.9119 7.6617 112.4402 56.8657 39.4903 175.5752 737 A 3.9502 8.4226 120.2313 53.6221 16.0676 178.4956 738 M 4.7692 7.2745 114.0953 56.7432 32.3690 178.7729 739 T 4.0334 8.0652 111.6119 64.7250 69.6328 176.7903 740 G 3.8769 8.1689 108.9575 46.8460 0.0000 174.5083 741 W 3.9386 8.1082 118.5944 57.6184 29.8326 176.3835 742 R 3.8866 7.8632 115.3138 57.6734 26.8333 175.6530 743 I 4.8564 7.4710 117.8326 59.5890 41.2832 176.8297 744 G 4.3896 9.6393 112.9478 43.9048 0.0000 170.4540 745 Y 5.6569 7.8437 116.5585 56.1911 42.2300 173.3817 746 A 5.0958 9.0078 121.0789 52.0611 23.5420 174.4541 747 C 5.1167 7.2548 112.7694 58.0539 33.1844 174.3318 748 G 3.9217 8.1552 104.3525 44.7578 0.0000 170.4570 749 P 4.2329 0.0000 0.0000 62.5793 32.4105 176.1854 750 K 3.8111 9.0077 124.4905 59.7731 31.7159 177.8246 751 E 3.9064 8.2367 117.1571 59.9243 29.1314 179.2171 752 V 3.7168 7.8043 118.6487 64.0982 31.6507 177.8085 753 I 3.7104 7.7636 119.2307 64.0322 37.9093 177.8614 754 K 4.0466 8.0096 118.9673 59.7271 32.5075 178.8866 755 A 4.0270 7.5406 122.5084 55.1717 18.2972 179.3902 756 M 4.0853 7.7843 117.0977 58.0770 32.0955 178.7499 757 A 4.0746 7.8773 121.0948 54.8453 18.6058 179.9266 758 S 3.9937 8.0486 113.9165 61.9548 63.1034 177.0509 759 V 3.6721 7.6446 120.3650 65.8319 31.0614 178.0120 760 S 4.1036 7.9340 113.0880 61.2274 61.7280 176.1353 761 R 3.9534 7.8172 121.1801 59.7669 29.7287 178.5926 762 Q 4.0718 7.7943 116.0171 58.3183 28.6469 178.6450 763 S 4.4707 7.7665 114.3626 60.5230 63.9114 175.2527 764 T 4.4277 8.0088 109.4671 60.1061 70.3544 174.3672 765 T 3.8381 8.5367 123.7077 61.7865 67.3654 171.4475 766 S 4.7653 6.9455 112.0128 57.0940 64.8305 174.3335 767 P 4.5679 0.0000 0.0000 61.5301 32.4736 175.1100 768 D 4.4279 8.4849 117.0437 55.3765 41.5674 177.5248 769 T 4.3436 8.5665 121.0426 65.7812 68.9653 177.7195 770 I 3.9798 7.9378 121.2584 64.5667 37.3732 178.0873 771 A 4.7471 8.2123 121.6222 55.5856 18.2948 179.6766 772 Q 3.9959 7.9264 115.5780 58.5539 28.4979 178.8262 773 W 3.9717 7.7896 119.3746 59.4704 29.5646 178.0677 774 A 4.0686 8.2237 120.7396 55.5930 17.8372 179.6595 775 T 3.5386 7.7982 114.1319 66.6894 68.4927 176.3513 776 L 3.7454 7.6340 121.7132 58.2081 42.1164 178.7473 777 E 3.8519 7.9375 118.5607 59.0644 29.2732 178.6596 778 A 3.5794 7.2591 120.1537 54.3716 18.3063 178.9678 779 L 4.0770 7.3398 116.2231 56.7363 42.1468 178.4026 780 T 4.3647 7.6567 108.6177 62.5119 70.3218 175.2486 781 N 4.6030 7.5818 120.1151 52.3921 37.8993 175.0946 782 Q 4.0609 8.3739 124.3799 58.2271 28.7287 177.7599 783 E 3.8223 7.9534 118.4958 59.6785 29.3817 179.5637 784 A 4.0860 7.8865 119.0469 54.5031 18.5242 179.6932 785 S 4.3620 8.2511 114.1038 61.1558 63.1736 176.6456 786 R 3.9250 7.9921 120.7233 59.4282 29.9629 177.8922 787 A 3.9764 7.5920 119.3995 55.5589 18.2220 179.4903 788 F 4.0188 7.8752 117.5692 61.1812 39.3520 177.3381 789 V 3.4424 8.5393 118.6162 66.0997 31.4839 177.6073 790 E 3.8887 8.2933 118.0959 59.6679 29.4675 179.0687 791 M 3.7946 7.7187 117.5373 58.5678 32.2748 178.1540 792 A 3.0758 7.2957 120.7353 54.8253 18.4263 179.1945 793 R 4.1938 7.9113 117.4968 60.2042 29.9358 178.4316 794 E 3.9755 8.0932 117.3868 59.3272 29.5518 179.1962 795 A 4.0078 7.5398 119.3738 55.0827 18.3672 179.3788 796 Y 4.5577 7.7133 115.6212 61.2247 38.1012 178.1355 797 R 3.2000 8.1627 119.7220 59.2229 30.1993 178.6907 798 R 3.8559 8.1959 118.1682 59.4956 30.0998 179.3502 799 R 3.9185 7.8586 117.2427 59.1723 29.9475 178.7382 800 R 2.7846 7.5348 118.6280 59.0035 29.9289 177.9369 801 D 4.2860 7.9844 118.3197 57.6106 40.5025 179.1140 802 L 3.9155 7.8613 120.4411 58.1287 41.9934 178.5047 803 L 3.9666 7.8913 120.4991 57.8044 41.6107 178.6046 804 L 4.0074 8.3627 119.5712 58.6693 41.5380 178.2265 805 E 4.3032 8.3425 119.8047 57.2846 29.2186 178.2681 806 G 3.9021 8.1413 105.1066 48.1448 0.0000 175.2336 807 L 4.1640 8.3777 121.1374 58.2701 41.7914 179.8130 808 T 3.9278 7.6708 114.2216 66.3422 68.0999 176.2881 809 A 4.2066 8.1386 121.7403 53.6697 18.5587 178.3801 810 L 4.5809 7.3179 114.2355 53.7716 42.4545 177.3670 811 G 3.8952 7.7863 107.1011 45.4916 0.0000 173.5398 812 L 4.2410 7.8519 120.4334 54.0493 41.5967 176.9888 813 K 4.3585 8.7520 125.4894 56.4369 33.6497 175.2646 814 A 4.7086 8.0541 123.8808 51.9954 21.6967 176.1013 815 V 4.0652 8.6346 120.5838 62.1182 33.1608 175.8089 816 R 4.2717 8.5463 126.5155 54.7174 29.9726 174.2734 817 P 4.6605 0.0000 0.0000 62.7986 32.5805 176.2402 818 S 4.8505 8.8266 115.7853 58.3720 63.5341 173.5946 819 G 4.0642 8.0495 107.9790 44.8633 0.0000 173.6483 820 A 2.9931 8.0827 121.4616 52.5110 18.0110 176.9695 821 F 4.0657 6.5464 103.9700 55.7812 37.7369 174.1080 822 Y 5.1715 7.6025 114.7282 57.2758 42.9338 175.6449 823 V 4.8284 8.7451 120.8282 61.2944 34.8988 174.2123 824 L 4.5259 8.6491 127.8776 54.1376 42.7830 175.3388 825 M 4.7932 8.9868 126.0694 53.3436 33.9164 174.1945 826 D 4.3951 8.1905 125.6578 55.1758 41.9011 176.4530 827 T 4.3234 8.7834 115.1757 61.7679 69.4386 176.8185 828 S 3.9690 8.0310 118.3322 61.4613 62.4915 173.9984 829 P 4.3606 0.0000 0.0000 65.4450 31.4477 177.5249 830 I 3.6328 7.6464 118.0779 64.2537 37.1708 175.7500 831 A 4.3097 7.2906 119.6877 50.8983 22.4017 174.4959 832 P 4.3073 0.0000 0.0000 65.7838 30.2626 176.8430 833 D 4.8221 7.7222 118.3194 51.5436 41.7349 176.0292 834 E 4.4737 8.5692 116.6467 59.0065 29.8534 178.3040 835 V 3.6179 7.7999 118.2343 65.8779 31.6202 177.6204 836 R 4.0674 9.2677 119.4038 58.8234 30.0231 178.4649 837 A 3.9844 7.7267 120.4652 55.3618 18.2520 179.5407 838 A 3.9820 7.7636 118.9262 55.3509 18.4672 179.7645 839 E 3.9751 8.1352 116.8590 59.1540 29.5255 179.8183 840 R 4.0034 8.3294 118.9538 59.3437 30.3088 178.8882 841 L 4.0421 8.3097 119.0573 57.7977 41.5731 179.5129 842 L 4.5328 8.1300 121.8079 57.2791 41.7412 178.8254 843 E 3.9185 7.8604 117.6687 59.3792 29.6309 178.9355 844 A 4.1958 7.9827 118.3055 53.5224 18.7312 177.6590 845 G 3.9088 9.0353 106.0707 45.2605 0.0000 173.3566 846 V 5.4993 8.3618 118.9419 59.9893 35.0765 173.6882 847 A 4.7604 8.7302 130.4953 51.3339 19.8642 176.2617 848 V 4.7659 8.3762 114.9513 59.6267 36.3773 175.2071 849 V 4.3175 8.0384 122.3600 60.7208 32.9676 173.5174 850 P 4.5275 0.0000 0.0000 62.3899 32.5926 176.6753 851 G 4.0211 8.2742 110.0539 46.5036 0.0000 176.1682 852 T 3.6211 7.9385 120.6491 66.2626 68.5372 176.5427 853 D 4.5041 7.9802 118.7643 55.9934 41.4048 177.0076 854 F 4.4089 8.5143 115.7561 56.4114 39.3670 175.8711 855 A 3.2429 7.2604 120.9461 53.1066 16.1593 178.5763 856 A 4.6416 7.5114 119.9545 52.1555 18.4789 177.3332 857 F 4.3989 7.5285 120.4757 58.0800 40.6145 175.2625 858 G 4.3755 9.8360 114.8034 46.0788 0.0000 173.9061 859 H 5.1310 7.8613 116.2484 54.7181 31.2894 174.4799 860 V 4.4573 8.1850 116.9764 60.4095 35.0913 174.1395 861 R 4.9146 9.0660 124.3149 54.6623 31.7551 174.6848 862 L 5.2047 8.6520 126.6528 54.0268 43.7398 175.0750 863 S 5.1385 8.9217 116.5944 56.4160 63.6780 173.4345 864 Y 4.6719 7.6024 124.1324 56.8910 38.0714 176.8522 865 A 4.0326 6.9816 121.7025 53.6260 19.0171 178.5541 866 T 4.1431 7.1986 110.0912 60.4406 69.0581 173.5806 867 S 4.1712 8.2949 115.2243 58.7260 63.2423 175.1264 868 E 4.0047 8.6375 123.4922 59.0611 29.6262 177.9306 869 E 3.9178 8.1955 118.7916 59.5183 29.4017 178.4459 870 N 4.3711 7.8902 115.8326 55.8812 38.8735 177.1257 871 L 3.9088 7.5256 119.3364 57.8551 41.5268 179.9194 872 R 3.8326 7.7899 117.4538 59.1281 29.8446 179.0607 873 K 3.9183 7.7117 117.8387 58.9052 32.3682 178.6209 874 A 3.9506 7.9735 121.4236 55.0766 18.3237 179.4244 875 L 3.5224 7.6693 116.4721 57.5920 41.5649 179.2458 876 E 4.2019 7.8005 117.5042 59.0388 29.8919 179.1185 877 R 4.0776 8.0318 119.0348 58.8744 30.1128 178.8165 878 F 4.3717 8.3872 117.0949 61.1225 38.7239 176.5551 879 A 3.9677 7.5436 116.9606 56.2170 18.0919 179.3366 880 R 3.8180 8.0911 114.8702 59.5859 30.3990 178.5627 881 V 3.7016 7.7733 118.1333 66.3175 31.7102 176.2384 882 L 4.1666 8.2111 121.9905 54.9979 41.4581 176.6230 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 501 M 8.30 4.40 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 502 R 7.98 4.00 0.00 1.88 1.89 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 503 G 9.29 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 0.00 504 L 8.17 4.26 0.00 1.64 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 505 S 8.39 4.41 0.00 3.96 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 0.00 506 R 8.44 4.70 0.00 1.95 2.14 0.00 2.91 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 507 R 7.80 4.35 0.00 1.48 1.82 0.00 2.21 0.00 0.00 2.67 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.00 508 V 7.19 4.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.08 0.00 0.00 509 Q 7.41 4.20 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 510 A 7.32 4.42 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 M 7.52 4.32 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 512 K 9.06 4.28 0.00 1.69 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 513 P 0.00 4.44 0.00 2.02 1.96 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 514 D 8.38 4.43 0.00 2.74 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 0.00 515 A 8.58 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 0.00 516 V 7.67 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 517 V 7.91 3.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 518 A 8.05 4.00 1.44 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 0.00 0.00 0.00 519 V 8.06 3.59 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 1.21 0.00 0.00 1.09 0.00 0.00 520 N 8.47 4.29 0.00 2.98 2.87 0.00 0.00 6.85 7.52 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 0.00 521 A 7.84 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 K 7.86 3.82 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 523 A 8.29 3.95 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 0.00 524 L 8.30 3.81 0.00 1.87 1.69 0.93 0.84 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 0.00 525 E 8.14 4.04 0.00 2.18 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 0.00 2.46 2.39 0.00 526 L 7.82 4.14 0.00 1.83 1.76 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 527 R 7.83 5.00 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 528 R 8.25 4.36 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 529 Q 8.08 4.60 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.57 2.27 0.00 530 G 7.76 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 0.00 0.00 0.00 0.00 531 V 8.14 2.87 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 0.80 0.00 0.00 1.00 0.00 0.00 532 D 8.55 5.10 0.00 2.78 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 0.00 533 L 8.16 4.83 0.00 1.65 1.69 0.94 0.69 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 0.00 534 V 8.65 3.65 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 0.93 0.00 0.00 0.94 0.00 0.00 535 A 8.66 5.02 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 0.00 536 L 8.40 4.21 0.00 1.71 1.90 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 537 T 8.36 4.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 538 A 7.84 4.22 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 0.00 539 G 8.85 4.83 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 0.00 0.00 0.00 540 E 7.34 4.63 0.00 2.06 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 2.18 2.29 0.00 541 P 0.00 4.19 0.00 2.28 2.48 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 542 D 8.13 4.70 0.00 2.61 2.61 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 0.00 543 F 7.84 4.49 0.00 3.33 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 0.00 544 D 8.62 4.97 0.00 2.73 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 0.00 545 T 8.66 3.80 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 1.45 0.00 0.00 546 P 0.00 4.05 0.00 1.90 1.76 0.00 3.27 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 547 E 8.76 3.98 0.00 1.97 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 2.41 2.33 0.00 548 H 8.30 4.35 0.00 3.29 3.49 0.00 5.45 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 V 7.16 3.31 1.75 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 0.27 0.00 0.00 0.41 0.00 0.00 550 K 7.70 4.20 0.00 2.03 1.90 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.64 7.81 551 E 8.69 3.93 0.00 2.01 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 2.33 2.48 0.00 552 A 7.62 3.97 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 0.00 553 A 7.96 4.28 1.75 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 0.00 0.00 554 R 7.79 3.98 0.00 2.08 1.98 0.00 3.33 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 555 R 8.28 4.00 0.00 1.97 2.02 0.00 3.05 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 556 A 7.82 3.69 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 0.00 557 L 7.78 3.87 0.00 1.92 1.72 0.92 0.60 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 0.00 558 A 8.28 3.98 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 0.00 559 Q 7.51 4.37 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 560 G 7.89 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 0.00 561 K 8.02 4.35 0.00 1.66 1.68 0.00 0.70 0.00 0.00 1.46 0.00 0.00 2.34 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.11 0.83 7.81 562 T 7.66 4.54 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 0.00 563 K 7.80 4.32 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 564 Y 8.14 4.58 0.00 3.00 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 0.00 565 A 8.18 4.89 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 0.00 566 P 0.00 4.42 0.00 2.33 1.99 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 567 P 0.00 4.91 0.00 2.33 2.21 0.00 3.34 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 568 A 7.96 4.25 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.70 4.40 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 I 7.27 4.42 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 0.50 0.00 0.00 612 L 7.81 4.55 0.00 1.83 1.62 0.69 0.79 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 0.00 613 D 8.06 4.84 0.00 3.05 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.00 1.96 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 615 G 9.01 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 0.00 616 D 7.74 4.60 0.00 2.81 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 0.00 617 E 8.34 4.96 0.00 1.95 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 2.20 2.19 0.00 618 V 8.43 4.65 1.84 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.11 0.00 0.00 627 S 5.88 3.71 0.00 2.72 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 0.00 628 Y 6.28 4.48 0.00 2.84 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 0.00 629 P 0.00 4.00 0.00 1.92 1.81 0.00 3.45 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 630 E 7.95 3.92 0.00 2.00 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 2.30 2.19 0.00 631 M 8.05 4.13 0.00 2.47 2.40 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.73 0.00 632 V 7.54 3.06 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 0.76 0.00 0.00 -0.15 0.00 0.00 633 R 8.22 4.18 0.00 1.90 1.93 0.00 3.14 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 634 F 8.05 4.20 0.00 3.21 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 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7.80 3.54 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 1.15 0.00 0.00 776 L 7.63 3.75 0.00 1.75 1.85 0.84 0.59 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 0.00 777 E 7.94 3.85 0.00 2.09 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 2.37 2.16 0.00 778 A 7.26 3.58 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 779 L 7.34 4.08 0.00 1.42 1.53 0.42 0.66 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 0.00 780 T 7.66 4.36 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 1.14 0.00 0.00 781 N 7.58 4.60 0.00 2.75 2.91 0.00 0.00 7.25 6.89 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 0.00 782 Q 8.37 4.06 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.45 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 783 E 7.95 3.82 0.00 1.99 1.99 0.00 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7.67 3.93 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 809 A 8.14 4.21 1.35 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 0.00 810 L 7.32 4.58 0.00 1.86 1.74 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 811 G 7.79 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 0.00 812 L 7.85 4.24 0.00 1.76 1.65 0.91 0.68 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 0.00 813 K 8.75 4.36 0.00 1.82 1.68 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.40 7.81 814 A 8.05 4.71 1.28 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 0.00 0.00 815 V 8.63 4.07 2.41 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 0.99 0.00 0.00 1.12 0.00 0.00 816 R 8.55 4.27 0.00 1.85 1.90 0.00 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0.00 0.00 1.99 1.96 0.00 833 D 7.72 4.82 0.00 2.93 2.90 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 0.00 834 E 8.57 4.47 0.00 2.13 2.23 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 2.49 2.47 0.00 835 V 7.80 3.62 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 1.11 0.00 0.00 0.99 0.00 0.00 836 R 9.27 4.07 0.00 2.02 2.20 0.00 3.26 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 837 A 7.73 3.98 1.44 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 0.00 0.00 0.00 838 A 7.76 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 839 E 8.14 3.98 0.00 2.19 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 2.34 2.36 0.00 840 R 8.33 4.00 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 841 L 8.31 4.04 0.00 1.83 1.75 0.69 0.11 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 0.00 842 L 8.13 4.53 0.00 1.96 1.68 0.94 0.91 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 0.00 843 E 7.86 3.92 0.00 2.20 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 2.36 2.71 0.00 844 A 7.98 4.20 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 0.00 0.00 845 G 9.04 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 0.00 846 V 8.36 5.50 2.43 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 1.29 0.00 0.00 1.05 0.00 0.00 847 A 8.73 4.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 848 V 8.38 4.77 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 0.84 0.00 0.00 0.96 0.00 0.00 849 V 8.04 4.32 2.13 0.00 0.00 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 1.04 0.00 0.00 850 P 0.00 4.53 0.00 2.17 2.00 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 851 G 8.27 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 0.00 852 T 7.94 3.62 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 853 D 7.98 4.50 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 F 8.51 4.41 0.00 2.90 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 0.00 855 A 7.26 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 A 7.51 4.64 1.06 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 0.00 0.00 857 F 7.53 4.40 0.00 3.10 3.07 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 0.00 866 T 7.20 4.14 4.16 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 0.00 0.00 1.17 0.00 0.00 867 S 8.29 4.17 0.00 3.83 3.68 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 0.00 868 E 8.64 4.00 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 869 E 8.20 3.92 0.00 2.00 1.92 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 2.36 2.34 0.00 870 N 7.89 4.37 0.00 2.87 2.79 0.00 0.00 7.16 6.74 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 0.00 871 L 7.53 3.91 0.00 1.79 1.67 0.96 0.93 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 0.00 872 R 7.79 3.83 0.00 1.97 1.92 0.00 3.25 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 873 K 7.71 3.92 0.00 1.86 1.90 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 874 A 7.97 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 L 7.67 3.52 0.00 1.62 1.67 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 876 E 7.80 4.20 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 877 R 8.03 4.08 0.00 2.03 2.24 0.00 3.52 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 878 F 8.39 4.37 0.00 3.15 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 0.00 879 A 7.54 3.97 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 0.00 880 R 8.09 3.82 0.00 1.82 2.00 0.00 3.28 0.00 0.00 3.18 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 881 V 7.77 3.70 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 882 L 8.21 4.17 0.00 1.99 1.62 0.92 0.84 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