NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 M 4.3394 8.3049 120.3271 55.2998 33.2733 175.2760 531 D 4.4628 8.5688 123.8440 52.6506 40.1298 173.7102 532 L 4.6334 8.0487 124.2964 53.0521 44.0931 176.7055 533 I 4.2766 8.1410 114.5716 60.2037 38.8249 175.6865 534 A 4.0334 7.9122 125.0335 51.9910 18.5979 175.4360 535 P 4.4721 0.0000 0.0000 61.6459 32.2799 176.1033 536 E 4.0411 8.5552 123.4473 56.1899 30.4203 176.2477 537 D 4.7596 8.5400 125.0099 54.4112 42.6533 174.9820 538 V 4.8253 9.0161 119.9695 61.1352 35.0494 174.6446 539 V 4.2820 8.8276 127.8418 62.1233 32.4986 174.6409 540 V 4.8055 8.9078 129.7417 61.8187 33.1926 174.8099 541 T 5.0545 8.8161 117.6984 59.7915 72.3375 172.7043 542 L 5.2987 8.3538 124.3930 53.4015 45.2637 176.1824 543 S 4.8005 9.1671 121.5702 57.8079 64.6209 174.6512 544 H 4.2969 8.7639 121.0521 58.7926 29.2481 176.7446 545 A 3.9228 9.1197 121.0051 53.7974 18.5006 178.1798 546 G 4.0405 8.1064 104.8260 45.4274 0.0000 172.4917 547 Y 4.6990 8.2028 117.8840 57.3403 39.1017 174.6146 548 A 5.9044 9.3014 125.4411 49.4595 22.7974 174.9001 549 K 4.9628 8.2160 117.7060 56.3153 36.0633 174.0534 550 R 5.2553 8.8781 116.8010 54.7416 33.1701 174.2054 551 Q 4.9124 8.7657 120.8167 53.9758 33.1963 171.9577 552 P 4.7597 0.0000 0.0000 63.2410 32.1134 177.9052 553 V 3.7575 8.8093 124.2921 64.8312 31.3319 179.0054 554 S 4.2474 9.2550 115.2751 61.2601 62.8777 176.4461 555 A 4.0279 7.9772 123.9638 54.9796 18.0219 178.7778 556 Y 4.0524 7.8853 117.2413 61.0025 38.9679 178.2436 557 R 4.0305 8.5055 118.1961 59.1003 30.2346 178.5598 558 A 4.3884 7.9485 119.8989 52.8300 19.2011 177.2548 559 Q 4.2241 7.5027 115.2118 54.1800 28.2210 173.9003 560 R 3.8685 7.9662 124.7907 55.8233 29.3940 175.8064 *567 S 4.2445 8.0926 119.6722 56.1724 64.2028 174.3871 568 A 3.7874 8.0875 121.9688 51.8594 16.4969 177.8764 569 A 4.2758 7.5167 118.3616 50.9329 19.6421 177.8505 570 S 4.3176 8.4886 115.1817 58.4262 63.8277 175.7391 571 T 3.8760 8.6769 118.9695 66.7522 68.3435 176.7535 572 K 4.0351 7.9806 118.8888 59.5072 32.6365 177.6979 573 E 4.0816 8.2672 118.1883 57.0672 30.1271 176.2759 574 E 3.8607 8.1515 119.1067 57.2416 27.8457 173.8781 575 D 5.0215 7.8753 115.9090 53.0677 43.4207 174.4125 576 F 4.9956 7.3544 117.5045 55.7682 41.5433 172.7469 577 I 4.3702 8.4774 121.0557 60.9759 37.4980 175.6082 578 D 5.0660 9.0412 124.7342 52.9179 41.3533 175.0941 579 Q 4.2719 7.5618 117.5783 54.4658 33.3978 173.5398 580 L 4.6860 7.3548 124.4367 53.4044 45.0585 174.9142 581 W 4.9851 9.1735 126.0189 54.7528 33.2008 174.1215 582 L 4.9918 8.6592 125.7356 53.9488 42.6077 175.6642 583 V 4.6152 8.7309 118.9283 59.6092 37.0426 174.1219 584 N 4.7731 9.0022 120.9181 53.0889 39.3678 176.2277 585 T 3.9264 8.4836 114.9692 64.5855 68.7457 174.3961 586 H 4.6230 8.3293 117.6167 56.2818 29.3348 174.7273 587 D 4.7814 8.2053 121.1554 54.4939 42.4084 175.0598 588 T 4.9667 8.8530 115.7159 61.8900 72.6167 173.7042 589 L 4.3098 8.7997 125.9518 53.2782 43.2588 175.6773 590 L 4.2398 8.6875 128.3886 54.5257 43.2634 175.4375 591 T 4.9728 8.4461 124.0898 61.7872 71.2583 173.3202 592 F 5.2564 9.4401 125.8252 55.9813 41.8926 175.1587 593 T 5.2463 8.7883 112.7809 59.6871 71.6662 175.6018 594 S 4.3869 9.4510 117.1019 60.7578 63.1484 175.7507 595 S 4.6233 8.2197 114.5336 58.0688 63.1332 174.6353 596 G 3.9595 8.5834 108.7071 45.8625 0.0000 173.5343 597 K 5.0334 7.8289 119.0912 54.7440 34.9141 175.8342 598 V 4.3775 8.1966 120.8378 59.8566 34.6233 174.5796 599 F 5.1177 8.9281 121.0692 55.4359 43.3356 174.1161 600 W 4.7333 9.3336 120.7584 55.1887 30.9893 175.4918 601 L 4.4633 8.6569 129.1850 52.2929 42.9129 173.8648 602 P 4.4629 0.0000 0.0000 62.2656 32.2423 177.9471 603 V 3.4552 8.5446 123.7545 66.1216 31.6115 177.8531 604 H 4.2741 8.0694 113.9637 58.4453 28.4402 176.5480 605 Q 4.2175 7.3764 118.1366 57.9388 28.7901 176.7993 606 L 4.0884 7.2141 117.8045 53.8014 42.3167 175.0087 607 P 4.6834 0.0000 0.0000 62.6168 33.0792 175.0081 608 E 5.2308 9.0021 121.1138 55.9228 30.1318 175.9406 609 A 4.4896 8.3355 123.5409 51.3184 22.2755 177.0723 610 G 3.9565 8.3575 109.4396 44.7845 0.0000 174.2497 611 S 4.3067 8.6044 112.9914 60.2196 63.0952 174.2460 612 N 4.7121 8.0432 117.4342 53.1402 38.5991 174.1928 613 A 4.7648 7.5001 120.5428 50.5266 22.4391 176.8077 614 R 4.0233 8.5530 118.5807 56.7981 31.1550 177.7270 615 G 4.0094 8.3262 102.9728 44.2193 0.0000 172.1426 616 R 4.9308 8.5907 117.9821 53.3974 33.4662 173.5729 617 P 4.4107 0.0000 0.0000 62.5715 32.0342 177.6192 618 I 4.0656 8.8044 123.5086 63.9499 37.8075 177.6017 619 I 3.9869 7.6627 112.2212 62.2835 37.4587 177.2004 620 N 4.1242 7.9427 118.4611 55.2597 38.3118 175.2733 621 W 4.4614 8.1977 117.3472 56.1314 30.5165 175.6828 622 I 3.7377 7.1208 119.0527 58.2458 37.4874 173.5186 623 P 4.2561 0.0000 0.0000 62.0458 31.8246 176.1839 624 L 4.7562 8.0532 123.3180 52.8844 44.8935 176.0274 625 E 4.1600 9.7258 125.8408 55.8044 30.1255 176.3183 626 S 4.1764 8.4981 115.2386 60.0608 62.4909 175.0124 627 G 3.9574 8.9036 114.9233 45.6227 0.0000 173.1947 628 E 4.1795 8.1023 120.7808 56.0308 30.5218 175.7968 629 R 4.7950 8.9339 123.5566 53.9434 34.0486 175.2577 630 V 3.9911 8.3968 121.9167 63.5728 31.3808 175.4542 631 Q 4.6605 9.1378 126.9408 57.0894 30.7829 175.8501 632 A 4.7017 7.6781 117.8033 50.8461 22.7856 175.5918 633 V 4.6886 8.5202 119.7379 61.1756 34.5176 174.7406 634 L 4.5442 8.9163 128.6527 52.1133 44.2341 174.4508 635 P 4.5033 0.0000 0.0000 62.3451 32.2775 176.4062 636 V 4.1682 8.6230 123.0794 61.8022 34.6264 175.1499 637 R 4.2323 8.6639 125.7836 57.3756 31.5114 176.2319 638 E 4.6109 7.4744 114.2631 54.7788 33.2929 176.1923 639 Y 4.2838 8.1492 120.3261 56.4918 36.5007 175.0950 640 A 4.2720 7.4561 124.7366 51.8208 19.8938 178.0472 641 D 4.4571 8.5839 119.3053 57.3640 41.0073 177.7125 642 N 4.7823 7.8830 113.9517 53.3375 39.0958 174.6405 643 R 4.8774 7.3522 115.9763 54.6913 34.2938 174.3001 644 Y 5.3119 8.8095 117.8465 56.5380 43.1011 174.2441 645 V 4.6244 9.3804 123.1733 61.5039 33.5099 174.1162 646 F 5.1592 9.1640 130.9103 56.7223 41.6296 174.0422 647 M 5.1849 8.6151 125.1183 53.4276 35.5115 174.5574 648 A 5.2625 9.1029 123.4148 50.5598 22.9861 175.1514 649 T 4.9200 8.4465 116.9769 61.4698 71.8609 175.6629 650 R 4.0614 9.2097 124.8354 59.5930 30.2503 177.8587 651 N 4.5801 8.6793 113.0752 53.5053 38.8523 175.6222 652 G 4.0313 8.3788 107.2665 45.4494 0.0000 173.1793 653 T 4.9003 7.7051 115.6631 62.3922 70.6497 174.2065 654 V 4.9550 8.7962 117.2356 59.6628 36.1552 174.5617 655 K 4.6531 8.1704 122.6461 54.6625 36.5110 174.9922 656 K 4.8669 8.3932 124.9458 55.1105 35.2058 174.5945 657 T 5.4965 8.6483 124.3558 60.1143 71.6746 172.6338 658 P 4.7339 0.0000 0.0000 62.3934 32.2007 177.2453 659 L 4.2970 8.7829 124.6983 58.4531 41.6065 179.5620 660 S 4.2262 8.2792 113.6713 61.3732 62.5036 175.7335 661 E 4.1086 8.2846 120.4153 57.6622 29.1551 177.2467 662 F 4.8342 8.0096 117.1526 57.0759 39.3892 176.6404 663 A 2.5800 7.2158 126.5026 53.4888 17.9965 178.2653 664 F 4.5119 7.2205 114.3685 55.2146 39.8735 175.5547 665 R 2.0000 7.5567 122.2870 54.9140 30.2515 176.1425 666 L 4.6348 7.0112 117.9700 52.6285 45.6257 177.4842 667 A 4.1717 8.8661 125.7787 55.4358 18.4042 179.0085 668 R 4.1595 8.0616 109.4390 56.5489 30.0013 177.4826 669 G 3.4157 8.3150 108.3271 44.7658 0.0000 171.7914 670 K 4.7094 7.8464 116.7083 54.7809 37.3590 175.6893 671 I 4.3292 8.2944 121.6803 61.2041 37.1490 176.1958 672 A 4.7228 9.2365 128.7281 53.3120 20.5122 177.2154 673 I 4.6370 7.3726 113.4337 60.6365 40.9384 173.8859 674 N 4.7259 8.7104 127.2696 52.7441 39.6326 174.2352 675 L 4.7237 8.3678 123.6191 52.6838 44.1363 176.2887 676 D 4.4886 8.3888 121.9447 53.6159 41.5425 175.3794 677 E 3.8705 8.6750 121.9310 58.4224 29.5978 177.6710 678 G 3.9287 9.0353 114.0250 45.4034 0.0000 172.4945 679 D 4.7363 7.9172 118.7049 53.2132 42.7738 174.8969 680 A 4.9361 7.8926 122.5151 50.0001 23.0405 174.9628 681 L 4.4687 8.9129 123.2489 55.0695 42.5574 176.8420 682 V 4.4724 9.0365 124.0270 62.1031 33.3115 175.1916 683 G 4.2104 7.6509 103.7120 46.2099 0.0000 172.7977 684 V 4.9976 8.3291 122.6014 61.0561 34.7119 173.9433 685 A 4.7737 8.9577 127.7871 50.2542 23.0709 174.7014 686 L 4.9974 8.4351 119.6205 54.1918 43.1679 176.2469 687 T 4.8888 8.9653 112.4128 60.5307 72.7321 173.8710 688 D 4.9505 9.1072 119.6666 53.0643 40.0548 177.3790 689 G 4.0454 8.2435 108.9332 45.6906 0.0000 173.9602 690 D 4.9138 8.7367 118.6489 54.0789 41.4747 176.3603 691 R 4.7232 7.4245 117.0804 54.9066 32.0526 175.6747 692 D 4.8699 8.9110 121.8058 53.8212 42.8118 175.6033 693 V 4.4118 8.1570 121.8420 60.8266 34.3067 174.1306 694 L 5.4152 9.0170 127.6237 51.9768 44.8914 175.2702 695 L 5.3354 8.2837 122.2923 52.9544 45.1672 175.1692 696 F 5.2224 9.3149 121.5641 55.6857 42.1081 174.5819 697 A 5.1557 9.1697 125.5985 50.2266 21.1609 177.8878 698 S 4.2934 9.3796 114.8990 61.5546 63.3979 176.3451 699 N 4.2406 8.4406 117.7869 54.7775 38.9657 175.6089 700 G 4.2045 8.8162 105.6269 46.2987 0.0000 173.4881 701 K 4.7274 7.6446 119.5139 56.8632 33.5696 175.9157 702 T 5.3574 8.7595 117.2204 60.6312 71.3591 173.1036 703 V 4.7716 8.0426 120.3546 59.9928 35.9853 174.6550 704 R 5.2838 8.5280 120.1648 56.5335 33.0499 173.4277 705 F 5.1946 7.7539 120.3475 55.3994 41.9604 173.7905 706 G 4.0213 8.7927 108.7686 44.9501 0.0000 174.6596 707 E 4.0433 9.0304 124.6114 58.8791 29.7962 179.2121 708 S 4.2177 7.9888 112.2482 60.6521 63.2480 174.7695 709 T 4.1899 7.7836 109.7152 61.9088 68.8829 174.2816 710 V 4.3255 7.6411 123.1863 61.0082 33.1615 175.3526 711 R 4.2880 8.3537 123.6531 55.4128 30.5716 176.2240 712 S 4.6167 8.4205 115.9271 59.2027 63.4672 173.5540 713 M 4.8428 9.0622 123.0581 53.3814 36.1091 176.4066 714 G 4.1421 8.3361 107.8548 46.0893 0.0000 174.0483 715 R 4.1054 8.5792 117.4423 58.6838 30.4177 178.8155 716 T 4.1046 7.8066 106.2035 63.0827 69.3897 174.9196 717 A 4.1831 7.3684 125.5067 52.5089 18.9539 177.7812 718 T 4.3967 7.5647 112.9266 61.7475 68.5554 173.6988 719 G 3.8417 8.1811 104.9815 43.7527 0.0000 171.7494 720 V 4.5706 8.6195 112.4518 59.2347 36.7147 174.8802 721 R 4.2137 8.5849 122.0739 56.8835 30.2960 175.4636 722 G 4.0808 9.5019 112.8575 47.5239 0.0000 173.0497 723 I 5.0328 7.4493 118.6184 59.1630 41.3906 174.1627 724 R 4.3898 8.8980 128.5275 55.1533 30.9258 176.0087 725 L 4.2741 8.4741 124.4149 53.5573 42.9193 177.0801 726 A 4.1623 8.3025 124.8289 51.4061 19.1177 176.9363 727 K 3.8994 8.5041 121.1992 58.2424 32.3958 177.6356 728 G 3.9679 8.8735 113.1473 45.7306 0.0000 173.1582 729 E 4.5521 8.0999 119.3546 55.1383 31.1403 175.0698 730 E 4.8677 8.8338 117.8192 54.3361 32.9060 174.7978 731 V 4.2000 8.5892 120.8398 63.1594 31.5960 175.7269 732 V 4.4211 9.1697 126.8162 63.7738 34.0807 175.8941 733 S 4.7711 7.9898 114.3954 56.6542 67.4917 172.7032 734 L 5.1814 8.5962 125.1993 53.6005 43.5921 175.4263 735 I 4.6279 8.9705 126.7973 59.3974 40.7573 174.4960 736 V 4.7986 8.2932 125.5962 61.1851 34.0683 174.4079 737 S 4.6557 8.6146 120.5955 57.1190 66.7525 173.0661 738 E 3.9663 8.7035 119.4465 56.8468 30.5167 176.4057 739 R 3.7140 8.7751 117.4351 57.6833 29.6444 177.1912 *775 V 3.7112 7.4439 123.4503 63.0470 32.2360 173.3360 776 A 4.4025 7.8264 125.8393 51.2072 19.9642 175.6902 777 Y 5.1265 8.3449 117.1751 56.2271 41.9464 174.7200 778 I 4.7085 8.9502 123.3723 59.8074 39.4660 174.4198 779 L 5.0391 8.9157 130.3847 54.1102 43.7381 175.1349 780 T 5.0886 8.6994 116.3567 60.0466 71.6815 173.1868 781 A 5.2763 8.6944 124.6035 50.7880 23.2123 175.0859 782 T 5.1210 8.8511 110.8045 59.3984 72.0829 174.9592 783 E 4.0199 9.3235 120.7663 59.1897 30.3557 177.9284 784 N 4.5500 8.1572 115.6853 52.6117 39.4078 176.1854 785 G 3.7940 8.5866 108.4507 45.5958 0.0000 172.9845 786 Y 5.0185 7.6427 117.0092 55.8295 40.3368 175.9030 787 G 3.9319 8.1457 108.0101 47.5294 0.0000 171.7626 788 K 4.5382 7.3572 115.9109 56.6660 36.3421 173.9995 789 R 5.2381 8.2647 120.2595 55.2782 32.4391 175.8425 790 T 5.3515 8.7641 118.7349 59.9375 73.0991 172.0621 791 P 4.2893 0.0000 0.0000 62.2364 32.3027 177.0153 792 L 4.0330 8.6248 124.2563 58.3120 42.0803 179.2758 793 A 4.0136 7.9060 119.6196 54.8920 18.3405 177.7384 794 E 4.0684 8.0664 113.4450 57.3294 29.6666 176.3363 795 Y 4.3040 7.9231 118.3848 55.6235 37.7964 173.7108 796 P 4.6311 0.0000 0.0000 61.3206 32.7811 176.3850 797 R 4.1866 8.2685 118.2875 57.4720 30.3307 177.1928 798 K 4.3357 8.9478 118.0067 56.2156 36.2762 172.7317 799 G 3.8459 8.3487 113.6384 45.7101 0.0000 172.8882 800 R 3.0857 8.2553 124.1170 57.7103 30.1248 176.2110 801 G 3.7877 8.9250 113.1236 46.0866 0.0000 173.4011 802 T 4.3670 7.3662 110.7774 60.1477 70.4096 175.3667 803 Q 4.2031 7.9026 118.4969 55.9382 28.9559 177.4615 804 G 3.8553 7.4931 106.0814 44.7400 0.0000 172.3747 805 V 4.5449 8.0216 110.9886 58.7463 35.6724 175.7534 806 I 3.9155 8.4415 122.7971 62.3565 36.6028 176.4541 807 G 4.3066 9.2231 114.7657 47.2266 0.0000 173.4203 808 I 4.6042 7.3734 117.4655 60.2157 41.3323 173.1170 809 Q 4.3603 8.7030 127.8997 55.1296 29.0393 176.9103 810 T 4.4530 7.9509 119.1291 61.0359 67.2937 173.3005 811 T 3.9446 7.4650 117.1036 61.9626 68.4705 173.9547 812 E 3.9656 8.6879 123.6212 59.5143 29.6635 178.9798 813 R 3.9582 7.9663 117.6922 59.5228 30.5075 177.0609 814 N 4.3402 8.1563 114.8420 55.5151 38.7876 176.6127 815 G 4.0113 8.1582 105.8224 44.3463 0.0000 173.1397 816 K 4.3982 9.0876 117.2845 55.1101 32.6299 176.6218 817 L 4.4243 8.3657 124.5292 55.6015 42.5505 176.9332 818 V 4.0749 8.8188 126.5758 65.0695 32.6850 176.0056 819 R 4.6445 7.5744 117.2587 55.1645 33.3619 173.1809 820 A 5.1061 8.8881 127.1961 49.9372 21.4489 176.1429 821 V 4.3211 8.5173 121.2456 59.6862 35.1955 174.2247 822 L 4.5113 8.5247 126.7716 55.0145 41.6673 175.5895 823 L 4.8400 8.3977 126.9048 52.2360 43.5873 176.9975 824 G 3.9526 8.8364 112.4804 45.1051 0.0000 174.6503 825 S 4.1383 8.6411 115.1940 60.5586 63.2897 175.2255 826 T 4.4484 7.6869 108.5532 61.1070 69.0135 173.9169 827 D 4.7077 7.6765 123.6149 54.6883 41.9505 175.7889 828 E 4.3140 9.0577 123.2387 56.4000 30.9457 175.9019 829 V 4.7617 9.1706 123.8677 61.3351 34.4544 174.0177 830 M 4.8806 9.0661 127.1911 53.3690 34.9851 174.4978 831 L 5.0095 8.8923 123.7074 52.8946 44.6022 175.2258 832 I 4.9789 8.7845 124.8054 59.1269 40.8749 175.4179 833 S 5.0704 9.0005 125.2806 57.5011 64.0862 173.7772 834 D 4.4628 9.2828 120.0115 56.2125 41.5156 176.7271 835 G 4.1864 8.3032 107.7061 45.0587 0.0000 172.7430 836 G 4.0266 8.8691 104.5705 45.0871 0.0000 173.6336 837 T 4.6641 7.9729 115.5211 61.1322 71.5005 172.9306 838 L 5.2102 8.5490 127.3949 53.2864 45.1066 175.7406 839 V 4.5000 8.7796 118.7959 59.5377 35.4429 174.6165 840 R 5.0062 8.4684 122.7276 54.8512 32.4999 175.3401 841 T 4.6889 8.6890 118.7009 61.8943 73.8196 173.2248 842 R 4.3795 8.4773 123.5574 55.3867 31.3023 177.5036 843 G 3.6869 9.3620 114.7052 48.7907 0.0000 175.6398 844 S 4.1171 8.0178 112.6812 60.0238 62.8427 174.4270 845 E 4.4093 7.8078 119.3464 56.1693 29.9451 175.8531 846 I 4.1114 7.1855 120.6431 60.0757 38.3374 175.9229 847 S 4.2017 8.5125 120.7482 59.1096 63.8223 173.4979 848 R 4.8603 8.4836 123.8544 55.7976 30.5582 175.9846 849 V 4.5437 9.1600 123.3011 60.8008 35.7788 174.7637 850 G 3.7668 8.6513 113.1658 45.1036 0.0000 173.6290 851 R 3.7474 7.8544 118.8295 59.3314 30.6334 177.1663 852 N 4.6718 7.6553 117.1914 52.0981 37.9838 172.6948 853 T 4.6535 7.1912 110.8273 60.4894 72.6871 172.9779 854 Q 4.9394 8.2129 119.7840 53.6539 31.0482 175.1622 855 G 4.0120 7.7505 106.4342 46.4513 0.0000 172.8206 856 V 4.5491 8.4820 120.3982 60.8414 34.1845 175.2939 857 T 3.9194 8.6811 122.6549 64.2302 68.2405 173.8568 858 L 4.6439 8.6875 124.9035 55.3152 44.6953 177.1827 859 I 4.4161 7.2446 116.8818 59.3246 40.9662 173.8541 860 R 4.2454 8.4338 126.7452 55.3114 30.8823 175.8072 861 L 4.9504 8.0125 121.9094 52.6067 45.1520 176.5614 862 S 4.3688 8.4400 117.3741 57.7861 63.5278 173.9081 863 K 4.1721 8.2421 123.3269 57.9023 32.4342 176.1800 864 G 4.1082 8.9912 113.6731 45.3322 0.0000 173.3263 865 E 4.3090 7.5593 119.5067 55.3229 30.6480 175.4764 866 K 4.8996 7.8539 122.3168 53.9463 36.0420 175.3113 867 L 4.1335 8.8624 126.4739 56.1382 41.7595 176.1940 868 Q 4.5817 9.0454 127.3820 57.2712 30.8571 175.4187 869 A 4.8083 7.6910 118.4049 50.4052 23.0605 175.3133 870 V 4.7902 8.3749 119.6613 61.2710 34.2396 174.5227 871 E 5.0767 9.3090 126.8594 54.5147 33.7045 175.0077 872 R 5.1415 8.4630 116.6478 54.5073 33.1414 174.1397 873 L 4.6159 8.8222 122.1028 53.4635 45.5971 174.5406 874 D 5.0676 8.7028 125.9889 52.2641 42.0309 175.7890 875 A 4.1746 8.3912 127.8327 52.3688 18.4983 176.9919 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 530 M 8.30 4.34 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 531 D 8.57 4.46 0.00 2.72 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 0.00 532 L 8.05 4.63 0.00 1.63 1.59 0.93 0.86 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 0.00 533 I 8.14 4.28 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.92 0.00 0.00 534 A 7.91 4.03 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 0.00 535 P 0.00 4.47 0.00 2.06 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 536 E 8.56 4.04 0.00 1.93 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 2.30 2.35 0.00 537 D 8.54 4.76 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 V 9.02 4.83 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 1.02 0.00 0.00 0.96 0.00 0.00 539 V 8.83 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 0.24 0.00 0.00 0.54 0.00 0.00 540 V 8.91 4.81 2.35 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 1.27 0.00 0.00 0.95 0.00 0.00 541 T 8.82 5.05 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 1.12 0.00 0.00 542 L 8.35 5.30 0.00 1.72 1.44 1.03 0.86 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 0.00 543 S 9.17 4.80 0.00 4.14 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 0.00 544 H 8.76 4.30 0.00 1.55 2.71 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 A 9.12 3.92 1.52 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 0.00 546 G 8.11 4.04 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 0.00 0.00 0.00 547 Y 8.20 4.70 0.00 3.01 3.20 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 0.00 548 A 9.30 5.90 1.23 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 0.00 549 K 8.22 4.96 0.00 1.96 1.97 0.00 1.50 0.00 0.00 2.11 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 550 R 8.88 5.26 0.00 1.85 2.02 0.00 2.77 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 551 Q 8.77 4.91 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 552 P 0.00 4.76 0.00 2.14 2.00 0.00 3.69 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 2.14 2.13 0.00 553 V 8.81 3.76 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 1.02 0.00 0.00 0.98 0.00 0.00 554 S 9.26 4.25 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 A 7.98 4.03 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 0.00 556 Y 7.89 4.05 0.00 3.13 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 0.00 557 R 8.51 4.03 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 558 A 7.95 4.39 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 0.00 559 Q 7.50 4.22 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 560 R 7.97 3.87 0.00 1.69 1.84 0.00 3.21 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 *567 S 8.09 4.24 0.00 3.95 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 0.00 568 A 8.09 3.79 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 0.00 569 A 7.52 4.28 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 0.00 570 S 8.49 4.32 0.00 4.04 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 0.00 571 T 8.68 3.88 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 572 K 7.98 4.04 0.00 1.87 1.96 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 573 E 8.27 4.08 0.00 2.12 2.07 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 2.36 2.28 0.00 574 E 8.15 3.86 0.00 2.17 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 2.30 2.39 0.00 575 D 7.88 5.02 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 F 7.35 5.00 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 I 8.48 4.37 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.90 0.00 0.00 578 D 9.04 5.07 0.00 2.81 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 0.00 579 Q 7.56 4.27 0.00 1.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 580 L 7.35 4.69 0.00 1.36 1.24 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 581 W 9.17 4.99 0.00 3.29 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 0.00 582 L 8.66 4.99 0.00 1.61 1.59 0.93 0.89 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 0.00 583 V 8.73 4.62 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 0.66 0.00 0.00 0.97 0.00 0.00 584 N 9.00 4.77 0.00 2.73 2.99 0.00 0.00 7.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 T 8.48 3.93 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 1.18 0.00 0.00 586 H 8.33 4.62 0.00 3.32 3.36 0.00 5.66 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 0.00 587 D 8.21 4.78 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 T 8.85 4.97 4.28 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 1.41 0.00 0.00 589 L 8.80 4.31 0.00 1.30 1.27 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 590 L 8.69 4.24 0.00 1.60 1.48 0.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 591 T 8.45 4.97 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 592 F 9.44 5.26 0.00 2.90 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 0.00 593 T 8.79 5.25 4.46 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 1.42 0.00 0.00 594 S 9.45 4.39 0.00 4.01 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 0.00 595 S 8.22 4.62 0.00 4.04 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 0.00 596 G 8.58 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 0.00 0.00 0.00 597 K 7.83 5.03 0.00 1.78 1.58 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 598 V 8.20 4.38 1.46 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 0.56 0.00 0.00 -0.52 0.00 0.00 599 F 8.93 5.12 0.00 2.81 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 0.00 600 W 9.33 4.73 0.00 3.30 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 0.00 601 L 8.66 4.46 0.00 1.59 1.33 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 602 P 0.00 4.46 0.00 1.97 1.92 0.00 3.55 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 603 V 8.54 3.46 2.11 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 0.92 0.00 0.00 0.80 0.00 0.00 604 H 8.07 4.27 0.00 3.25 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 Q 7.38 4.22 0.00 2.01 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.12 0.00 606 L 7.21 4.09 0.00 1.70 1.54 0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 607 P 0.00 4.68 0.00 2.20 2.29 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 608 E 9.00 5.23 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 609 A 8.34 4.49 1.22 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 0.00 0.00 610 G 8.36 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 0.00 0.00 0.00 611 S 8.60 4.31 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 N 8.04 4.71 0.00 2.73 2.87 0.00 0.00 6.66 7.35 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 0.00 613 A 7.50 4.76 1.18 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 0.00 0.00 614 R 8.55 4.02 0.00 1.55 1.37 0.00 2.91 0.00 0.00 2.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 615 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 0.00 616 R 8.59 4.93 0.00 2.22 1.93 0.00 3.27 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 617 P 0.00 4.41 0.00 2.21 1.69 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.76 0.00 618 I 8.80 4.07 1.92 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 1.64 1.33 0.97 0.00 0.00 619 I 7.66 3.99 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.47 0.86 0.00 0.00 620 N 7.94 4.12 0.00 2.20 1.98 0.00 0.00 6.80 7.21 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 0.00 621 W 8.20 4.46 0.00 3.50 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 I 7.12 3.74 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.49 0.00 0.00 623 P 0.00 4.26 0.00 2.01 1.93 0.00 2.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 624 L 8.05 4.76 0.00 1.45 1.46 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 625 E 9.73 4.16 0.00 2.02 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 2.58 2.44 0.00 626 S 8.50 4.18 0.00 3.83 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 0.00 627 G 8.90 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 0.00 0.00 0.00 628 E 8.10 4.18 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 629 R 8.93 4.79 0.00 1.87 1.78 0.00 3.19 0.00 0.00 3.11 7.22 0.00 0.00 0.00 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1.88 1.54 0.00 638 E 7.47 4.61 0.00 1.79 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 2.15 2.27 0.00 639 Y 8.15 4.28 0.00 2.92 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 0.00 640 A 7.46 4.27 1.20 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 0.00 0.00 641 D 8.58 4.46 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 0.00 642 N 7.88 4.78 0.00 2.68 2.82 0.00 0.00 6.68 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 R 7.35 4.88 0.00 1.62 1.71 0.00 3.02 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 644 Y 8.81 5.31 0.00 3.04 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 0.00 645 V 9.38 4.62 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 0.52 0.00 0.00 0.71 0.00 0.00 646 F 9.16 5.16 0.00 3.22 2.84 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 0.00 647 M 8.62 5.18 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 648 A 9.10 5.26 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 0.00 649 T 8.45 4.92 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 1.46 0.00 0.00 650 R 9.21 4.06 0.00 1.92 2.16 0.00 3.11 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 651 N 8.68 4.58 0.00 2.98 2.85 0.00 0.00 7.32 7.91 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 0.00 652 G 8.38 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 0.00 653 T 7.71 4.90 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 1.30 0.00 0.00 654 V 8.80 4.95 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 1.02 0.00 0.00 1.06 0.00 0.00 655 K 8.17 4.65 0.00 1.69 1.44 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.31 7.81 656 K 8.39 4.87 0.00 1.79 1.57 0.00 1.44 0.00 0.00 1.82 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.76 7.81 657 T 8.65 5.50 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 658 P 0.00 4.73 0.00 2.25 1.99 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 659 L 8.78 4.30 0.00 1.91 1.79 0.86 1.19 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 0.00 660 S 8.28 4.23 0.00 4.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 E 8.28 4.11 0.00 1.77 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 2.45 2.46 0.00 662 F 8.01 4.83 0.00 3.29 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 0.00 663 A 7.22 2.58 0.26 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 0.00 0.00 664 F 7.22 4.51 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 0.00 665 R 7.56 2.00 0.00 1.05 0.69 0.00 2.92 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 666 L 7.01 4.63 0.00 1.53 1.51 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 667 A 8.87 4.17 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 0.00 668 R 8.06 4.16 0.00 2.02 2.14 0.00 3.14 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 669 G 8.32 3.42 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 0.00 670 K 7.85 4.71 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.55 7.81 671 I 8.29 4.33 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 1.00 0.00 0.00 672 A 9.24 4.72 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 I 7.37 4.64 1.93 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 1.25 0.98 0.00 0.00 674 N 8.71 4.73 0.00 2.87 2.73 0.00 0.00 6.59 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 675 L 8.37 4.72 0.00 1.64 1.58 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 676 D 8.39 4.49 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 E 8.68 3.87 0.00 1.91 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 2.31 2.42 0.00 678 G 9.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 D 7.92 4.74 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 A 7.89 4.94 1.22 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 0.00 0.00 681 L 8.91 4.47 0.00 1.65 1.75 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 682 V 9.04 4.47 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 0.89 0.00 0.00 1.04 0.00 0.00 683 G 7.65 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 0.00 684 V 8.33 5.00 1.67 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 -0.23 0.00 0.00 0.58 0.00 0.00 685 A 8.96 4.77 1.18 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 0.00 0.00 686 L 8.44 5.00 0.00 1.52 1.58 0.86 0.74 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 0.00 687 T 8.97 4.89 4.38 0.00 0.00 0.00 0.00 0.00 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0.00 3.86 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 0.00 713 M 9.06 4.84 0.00 1.92 1.89 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 2.49 2.45 0.00 714 G 8.34 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 715 R 8.58 4.11 0.00 1.77 2.10 0.00 2.24 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.00 716 T 7.81 4.10 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 1.19 0.00 0.00 717 A 7.37 4.18 1.26 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 0.00 0.00 718 T 7.56 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 719 G 8.18 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 0.00 720 V 8.62 4.57 2.03 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.99 0.00 0.00 0.88 0.00 0.00 830 M 9.07 4.88 0.00 1.01 1.45 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.29 0.00 831 L 8.89 5.01 0.00 1.44 1.50 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 832 I 8.78 4.98 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.66 0.95 0.00 0.00 833 S 9.00 5.07 0.00 4.00 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 0.00 834 D 9.28 4.46 0.00 2.99 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 0.00 835 G 8.30 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 G 8.87 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 0.00 837 T 7.97 4.66 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 1.18 0.00 0.00 838 L 8.55 5.21 0.00 1.61 1.47 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 839 V 8.78 4.50 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 0.59 0.00 0.00 0.85 0.00 0.00 840 R 8.47 5.01 0.00 1.55 1.68 0.00 3.06 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 841 T 8.69 4.69 4.17 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 1.15 0.00 0.00 842 R 8.48 4.38 0.00 1.76 1.73 0.00 3.32 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 843 G 9.36 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 844 S 8.02 4.12 0.00 3.93 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 0.00 845 E 7.81 4.41 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 846 I 7.19 4.11 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.87 0.00 0.00 847 S 8.51 4.20 0.00 3.77 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 0.00 848 R 8.48 4.86 0.00 1.71 1.97 0.00 3.23 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 849 V 9.16 4.54 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 0.96 0.00 0.00 0.99 0.00 0.00 850 G 8.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 R 7.85 3.75 0.00 1.55 1.76 0.00 3.21 0.00 0.00 2.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 852 N 7.66 4.67 0.00 2.68 2.71 0.00 0.00 6.72 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 T 7.19 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 854 Q 8.21 4.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 855 G 7.75 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 0.00 856 V 8.48 4.55 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 0.97 0.00 0.00 0.96 0.00 0.00 857 T 8.68 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 858 L 8.69 4.64 0.00 1.51 1.60 0.92 0.61 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 0.00 859 I 7.24 4.42 1.79 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 1.35 0.64 0.82 0.00 0.00 860 R 8.43 4.25 0.00 1.79 1.80 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 861 L 8.01 4.95 0.00 1.55 1.61 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 862 S 8.44 4.37 0.00 3.92 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 0.00 863 K 8.24 4.17 0.00 1.72 1.72 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.39 7.81 864 G 8.99 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 0.00 0.00 0.00 865 E 7.56 4.31 0.00 1.96 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 2.30 2.28 0.00 866 K 7.85 4.90 0.00 1.92 1.66 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 867 L 8.86 4.13 0.00 1.73 1.60 0.95 0.78 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 0.00 868 Q 9.05 4.58 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.38 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 869 A 7.69 4.81 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 0.00 870 V 8.37 4.79 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 0.82 0.00 0.00 0.91 0.00 0.00 871 E 9.31 5.08 0.00 2.04 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 2.33 2.69 0.00 872 R 8.46 5.14 0.00 1.72 1.81 0.00 3.01 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 873 L 8.82 4.62 0.00 1.75 1.48 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 874 D 8.70 5.07 0.00 2.86 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 0.00 875 A 8.39 4.17 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 * Residues marked with a * may have inaccurate shift predictions.