NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 545 K 5.4745 8.2616 121.5728 54.5328 33.4846 175.3056 546 Y 3.6150 8.8123 124.7663 54.7486 39.3516 173.5688 547 Q 3.7198 7.3091 120.1866 55.5623 31.3159 173.7667 548 V 3.8434 7.6501 115.4861 60.7500 32.8477 175.8628 549 R 4.4737 7.9999 115.6001 55.5178 30.9107 176.0280 550 W 4.4227 8.4749 118.8626 57.1629 29.6149 175.5265 551 K 4.6633 8.7806 124.7118 54.5425 34.6841 175.3585 552 I 4.8324 8.4619 125.7051 59.3879 38.5410 176.3520 553 I 4.3854 8.0148 121.7297 59.9694 36.5756 172.5925 *570 P 4.2652 0.0000 0.0000 63.3563 32.8621 175.3739 571 Y 4.5437 8.4619 119.6557 57.3095 39.6299 174.1649 572 N 4.5316 8.3907 125.5684 52.0525 39.7883 174.9370 573 E 3.9248 8.4538 126.4699 57.3267 29.9388 178.1583 574 K 4.0308 7.5964 116.8681 59.5801 32.9833 178.1433 575 W 4.4688 7.8831 119.6399 58.4617 29.5054 175.9069 576 E 4.7455 7.6383 119.0023 57.3121 29.7088 176.3010 577 F 4.9455 8.7291 125.8009 56.2941 43.2154 172.0470 578 P 4.4878 0.0000 0.0000 62.3259 32.0001 177.6573 579 R 4.2715 8.9047 121.1024 58.1613 29.8401 177.9327 580 N 4.5154 8.0593 115.2655 54.9056 37.8945 175.0029 581 N 5.0873 8.0795 116.7731 52.9322 40.0600 173.7988 582 L 5.0256 8.0294 121.4435 53.6035 44.5118 175.8348 583 Q 4.6482 8.8759 129.3608 54.1555 30.1927 174.8571 584 F 4.6812 9.0879 125.2009 57.2699 39.6599 175.7668 585 G 4.1788 8.5117 110.9745 45.5785 0.0000 173.5344 586 K 4.4373 8.6048 124.0686 56.3588 34.4368 176.4238 587 T 4.1198 8.3421 119.8129 63.9778 68.3113 174.4223 588 L 4.2273 8.7835 127.4508 57.2087 42.8560 177.8096 589 G 4.1237 7.4119 101.2643 45.4923 0.0000 172.7264 590 A 4.9787 8.7359 125.9885 50.0964 21.7570 176.1993 591 G 4.2046 8.3004 112.6195 43.4768 0.0000 172.8764 592 A 4.1825 8.5885 120.5296 53.6693 19.0374 178.5846 593 F 4.3879 7.9981 113.6171 58.1420 40.6160 175.5856 594 G 4.0566 7.3112 107.8023 46.6348 0.0000 171.7130 595 K 4.5029 7.6365 118.0573 56.2357 36.5445 174.8226 596 V 4.8534 8.3454 120.6905 60.1038 34.0639 175.1062 597 V 4.7313 8.1346 117.0935 59.3219 35.6206 174.0241 598 E 4.7974 8.6617 122.7816 55.2800 31.8694 174.6781 599 A 4.7688 8.2706 125.5618 51.5665 23.7632 174.5955 600 T 4.6249 8.5310 113.5996 61.8654 72.1005 173.6309 601 A 4.7810 8.4617 128.9809 50.3380 20.6364 175.9789 602 F 4.3709 8.8800 122.5122 59.3864 39.2854 176.3744 603 G 3.9225 8.9554 112.4454 45.3645 0.0000 172.0107 604 L 4.4634 7.7761 121.5919 56.3556 41.7643 175.1848 605 G 3.7888 8.8940 111.6239 43.9785 0.0000 173.7027 606 K 3.9508 8.6159 119.1407 59.5690 32.3592 178.0411 607 E 4.0319 8.2481 117.2477 57.4872 29.5507 177.3182 608 D 4.4204 7.7404 116.0743 55.0491 39.5199 173.8411 609 A 4.4627 7.3557 120.7337 51.4363 21.3347 176.5171 610 V 4.6314 8.3394 117.1831 61.4678 32.7868 175.8639 611 L 4.7917 7.9685 127.0773 53.5622 43.4417 175.5515 612 K 4.4897 8.5036 123.3344 56.4424 33.1631 175.9629 613 V 4.6949 8.5532 119.3624 59.6761 36.7061 173.6639 614 A 4.9817 8.5128 121.3655 50.3831 22.4164 175.4937 615 V 4.5604 8.4932 122.3114 60.8803 34.0873 174.7986 616 K 4.7465 8.8032 128.7876 56.3947 33.3879 176.1647 617 M 5.0010 8.6430 120.3104 54.2323 34.9612 173.9984 618 L 4.8379 8.2367 119.7950 52.4105 43.6877 178.9528 619 K 4.7515 8.2298 128.6974 56.5826 30.3781 179.6880 620 S 4.6468 8.6070 122.1865 59.4321 63.8808 175.1395 621 T 4.0944 7.6380 118.5216 63.1489 67.1774 176.2354 622 A 3.4064 7.7741 129.2676 52.2848 17.1004 178.4678 *624 A 4.2104 8.1429 111.0017 52.9527 19.9071 177.9095 625 D 4.8344 8.2952 117.6971 56.6610 41.2225 177.0842 626 E 4.3254 7.9149 121.1119 59.1276 30.1083 178.4291 627 K 3.8694 8.1746 117.9305 59.8079 32.0012 178.6614 628 E 3.9091 8.1868 118.5649 59.1520 29.6423 178.5480 629 A 3.9061 7.9566 120.8853 55.0854 18.4503 179.3458 630 L 4.0569 8.0045 118.3679 58.4840 42.1643 178.9703 631 M 3.9550 7.9571 118.4625 58.5603 31.9416 178.8563 632 S 4.0975 8.1563 115.2913 61.5778 62.9496 176.4136 633 E 3.8076 8.2712 122.0147 59.0437 29.3357 178.6152 634 L 3.7999 7.7691 120.3983 58.0593 42.2599 179.2130 635 K 4.2405 8.1136 119.8031 58.8619 31.9932 179.4809 636 I 3.7516 7.7522 120.0378 64.7545 36.8796 178.2152 637 M 4.0341 7.6256 118.2471 58.6097 31.9817 178.9021 638 S 4.0361 8.0609 113.8646 61.0415 63.2343 175.7028 639 H 4.5175 8.0890 121.6049 58.5879 29.7165 176.9288 640 L 4.1443 8.0053 120.0224 55.1604 41.6194 178.4377 641 G 4.1467 7.4986 103.7252 45.0410 0.0000 172.7072 642 Q 4.5621 8.2708 118.0042 55.4427 30.1289 175.0672 643 H 4.1716 8.5390 114.9189 55.1199 32.9746 174.6404 644 E 4.0601 8.6956 124.2937 58.8041 29.4720 177.0567 645 N 5.2625 8.3593 114.8088 51.9327 40.6967 173.5888 646 I 4.8472 7.6457 119.8376 59.2430 39.6980 175.8468 647 V 3.7679 8.4792 125.7162 63.3248 31.9261 175.2770 648 N 4.8220 9.0569 126.4275 51.9421 40.3515 174.7510 649 L 4.2832 8.3439 124.5653 55.4346 42.2169 176.3985 650 L 4.8602 9.1362 124.1398 53.7587 44.6718 176.3643 651 G 4.3184 7.4701 103.3886 47.3486 0.0000 170.8761 652 A 5.0497 7.9485 119.1640 51.5072 23.6227 175.8213 653 C 4.9686 9.1868 116.9274 58.6271 30.7027 175.0627 654 T 4.3881 9.3142 113.3097 61.3487 69.2278 174.1165 655 H 4.9496 7.6938 118.2746 55.3131 32.2925 173.1522 656 G 3.8590 8.7673 108.4613 44.5158 0.0000 174.5447 657 G 3.9342 7.8212 106.3938 43.7468 0.0000 171.2089 658 P 4.3735 0.0000 0.0000 62.2237 31.8427 176.4142 659 V 4.0151 8.1792 120.9379 63.1270 32.2085 175.0598 660 L 4.9039 8.8297 127.6140 52.9281 44.8224 175.4667 661 V 4.3731 8.4396 124.2042 61.2575 33.2980 174.4776 662 I 4.6404 8.3243 130.3154 60.9713 38.8948 175.4967 663 T 5.1040 8.7259 115.9320 59.6626 72.9623 172.6054 664 E 4.3530 8.5036 120.9762 56.5133 30.1037 176.5369 665 Y 4.2937 8.5249 124.8666 56.6527 39.9451 174.4857 666 C 4.2723 7.7256 125.4603 57.7188 28.5258 174.1528 667 C 3.4098 7.9072 120.9235 60.7539 29.2942 174.3697 668 Y 4.3205 7.5418 115.6458 57.3535 38.0271 177.0795 669 G 3.7323 7.5611 110.0951 45.0432 0.0000 172.8924 670 D 4.9335 8.1391 118.0818 52.6572 41.8429 176.8076 671 L 3.7835 8.8246 123.5070 58.1203 42.0844 179.2451 672 L 3.9860 7.9033 119.7256 58.4127 42.1535 178.5460 673 N 4.3510 8.5274 116.3312 56.1941 38.2397 177.0156 674 F 4.0587 7.8678 120.5104 61.4530 39.8452 176.8357 675 L 4.0628 8.2815 118.5977 57.9358 40.8765 179.8534 676 R 4.0199 7.9312 118.2754 58.7408 29.7472 178.1583 677 R 4.4302 7.5681 113.6492 56.1581 29.8845 176.9644 678 K 4.3619 7.2505 115.8494 56.4118 33.6700 178.4731 679 R 3.9743 7.2381 120.0921 55.4561 29.0266 176.7684 *696 Q 3.9921 7.9129 115.1667 55.7350 30.0707 175.6217 697 L 4.4481 8.1560 121.8506 54.0838 42.9178 176.2009 698 S 4.7494 8.2123 115.3106 56.2983 65.2983 175.3208 699 S 4.1224 8.2389 114.3451 60.4781 63.4441 175.9069 *753 R 4.2975 7.7747 120.2989 56.5172 31.8765 176.9949 754 D 3.9909 7.7233 117.3902 57.2148 40.7878 178.6583 755 L 3.7132 7.2954 119.3242 57.4337 41.3989 179.6752 756 L 4.2280 7.5504 118.7590 57.9155 41.6693 178.8368 757 H 4.2635 7.7991 116.1967 58.7929 28.6215 177.8289 758 F 4.6851 7.8192 119.5033 60.9030 38.7946 177.8054 759 S 4.3627 8.0708 114.2090 61.7802 62.6821 176.8177 760 S 4.1633 8.4122 115.5606 61.6188 62.2789 175.7746 761 Q 4.0591 8.3490 120.8940 59.4822 28.5509 179.9097 762 V 3.6944 8.1563 118.5971 65.9203 31.6176 177.9423 763 A 3.8335 8.3261 120.5494 54.9616 18.2497 179.5941 764 Q 4.1421 8.1727 117.0938 58.8453 28.9095 178.8097 765 G 3.4527 8.0600 106.8744 47.9586 0.0000 175.7083 766 M 3.6913 8.0466 120.6775 57.5409 31.6634 178.6722 767 A 4.0217 7.8910 121.2347 54.8623 18.3706 179.5239 768 F 3.9862 8.0299 118.8030 61.3474 39.5059 177.2227 769 L 3.8857 7.8231 118.3719 57.9862 41.4623 179.5318 770 A 4.0357 7.7003 119.7494 54.5004 18.0959 179.6174 771 S 4.0988 7.4593 111.4958 60.6257 63.3555 175.1985 772 K 4.2215 7.2936 119.5457 55.4004 31.8499 175.9815 773 N 4.1383 7.7716 115.6142 54.5228 36.6733 173.2047 774 C 5.0154 8.0647 117.2754 57.3606 33.6466 172.4619 775 I 4.4517 8.1901 120.7687 59.5339 38.6330 176.0391 776 H 3.0796 9.3167 125.4458 58.6804 29.7803 177.4040 777 R 4.2793 8.5413 114.0475 56.6407 28.6693 175.8805 778 D 4.8229 7.7784 116.7744 53.1000 41.4888 175.7772 779 V 3.6010 8.1348 118.3788 62.9163 32.2381 174.3503 780 A 4.6149 8.0690 127.7001 51.2634 21.9487 176.6013 781 A 4.1407 9.0801 123.3639 55.1741 18.6239 180.6294 782 R 4.0311 8.1212 111.3344 59.1015 29.7163 176.8449 783 N 5.1804 8.1775 115.1743 53.0103 38.9900 173.9141 784 V 5.0084 7.9368 118.4925 61.2045 34.6166 174.4852 785 L 5.1329 9.2125 126.4392 52.8969 45.6710 175.1123 786 L 4.9605 8.5642 120.3037 53.5836 44.8142 175.9660 787 T 4.8972 8.3241 120.2207 60.4427 69.3344 172.4246 788 N 4.5811 8.6017 116.5944 55.3053 38.9800 175.4706 789 G 4.1225 9.1297 109.7698 45.7697 0.0000 173.0752 790 H 3.8110 7.7269 113.6569 56.3314 26.9564 175.0775 791 V 4.3026 7.2084 118.0403 61.7597 33.4194 175.1802 792 A 4.8063 8.9090 129.8355 51.6300 20.1336 176.3696 793 K 4.9052 9.1500 121.3085 54.5995 36.2350 175.7256 794 I 4.7958 8.7411 118.7901 60.4306 40.1361 175.6213 795 G 4.3468 7.9620 108.3759 46.2622 0.0000 171.2844 796 D 4.5855 7.8708 119.3899 52.4711 43.3286 176.3052 797 F 5.1535 8.0798 125.8025 57.2011 39.9682 177.8615 798 G 3.6565 8.5228 112.5623 48.2055 0.0000 176.7144 799 L 3.8187 8.1282 120.7824 57.3124 42.1788 176.9477 800 A 4.8792 7.7409 117.8348 51.5149 19.7226 176.2257 801 R 4.5765 7.8219 111.9233 55.3292 33.6610 174.0867 802 D 4.9635 8.5004 118.9334 52.9274 40.3840 176.5024 803 I 3.7193 8.1023 125.7280 63.7140 37.6524 177.8398 804 M 4.2627 8.1924 119.0447 57.5129 32.1776 176.1925 805 N 5.0728 7.7679 114.8157 52.7375 39.4641 174.5911 806 D 4.8357 7.8704 117.4461 52.2545 43.6866 175.8522 807 S 4.2940 8.8703 121.7150 60.6800 63.5812 175.0196 808 N 4.6050 8.6285 118.5527 54.9606 38.6610 173.7168 809 Y 5.1405 8.0094 116.5745 56.1716 40.1101 175.4904 810 I 4.2072 8.6477 125.5357 60.0480 39.0542 176.4175 811 V 3.9055 8.2362 127.0040 62.2529 28.7632 176.2396 812 K 4.3489 8.1546 125.8416 51.6844 32.2938 174.7526 813 G 3.8410 8.8156 112.0476 44.5916 0.0000 172.8574 *815 A 4.0476 8.9744 121.1015 51.7764 20.5408 177.0128 816 R 5.5032 8.3876 118.9780 53.6321 32.1181 175.6141 817 L 4.9235 8.4746 123.0085 52.3502 44.5713 174.8385 818 P 5.3338 0.0000 0.0000 60.7458 30.2366 176.6623 819 V 3.7133 7.9539 126.6162 66.6502 32.0756 177.9805 820 K 4.1885 8.2435 117.3710 57.9362 32.3300 177.2616 821 W 4.8056 8.7145 117.9322 56.6770 30.2288 175.4383 822 M 4.4798 7.9323 118.7415 53.8577 32.6673 176.2619 823 A 2.5800 8.0682 125.5291 50.7080 19.6160 176.4731 824 P 4.0478 0.0000 0.0000 65.7688 31.3930 179.1410 825 E 4.1591 7.9104 115.4468 59.4412 29.2754 179.1281 826 S 3.9061 7.4847 117.0744 60.4531 62.5389 176.3486 827 I 3.5948 7.1101 121.7104 62.8397 36.9036 177.2102 828 F 4.6613 7.6941 116.3737 58.3828 40.7491 176.1412 829 D 4.7241 8.1178 115.5817 53.3681 41.1731 176.3937 830 C 4.3397 7.7944 114.2103 59.1409 26.0252 172.6922 831 V 3.9978 7.0255 117.9770 62.1053 31.7577 174.4217 832 Y 4.6971 8.7562 123.9298 55.5315 40.8949 174.7898 833 T 4.6965 8.0787 112.3076 59.3773 71.7768 174.4081 834 V 3.7524 8.4817 119.4965 66.4042 31.2968 177.6815 835 Q 4.0890 8.1587 117.1073 58.4310 28.4508 178.5538 836 S 4.2584 7.9708 116.3503 61.8070 62.7902 176.3436 837 D 4.7377 8.3325 121.0908 57.3084 40.6295 178.8281 838 V 3.4100 7.6107 118.5196 65.5657 31.6007 177.5523 839 W 4.6511 8.1116 129.0207 60.3387 30.5815 178.1288 840 S 4.8980 8.5015 115.9006 61.4334 62.2022 176.1470 841 Y 4.4385 8.8421 122.7165 60.2119 38.5576 178.1185 842 G 3.2141 8.2581 107.0648 47.8605 0.0000 175.8307 843 I 4.1369 8.1379 122.6961 63.8836 37.0658 178.4065 844 L 4.4442 8.2849 121.4043 58.0740 41.9519 178.6871 845 L 4.0091 8.0396 119.4506 57.8674 41.4748 179.4130 846 W 4.2426 8.3084 127.8388 60.5851 30.6527 177.8506 847 E 4.1388 8.5811 118.5972 59.4819 28.7351 179.4407 848 I 3.7204 8.0553 119.8516 64.0002 37.1106 177.6081 849 F 4.6931 8.1935 116.4526 57.4876 38.7896 176.8213 850 S 4.6362 7.3573 113.2905 56.7238 63.1781 173.5733 851 L 3.5130 8.6756 119.9811 56.4651 39.6146 175.0756 852 G 4.2096 8.0616 104.1040 45.6120 0.0000 174.9976 853 L 4.2793 7.1584 118.1055 53.9129 42.2037 176.6407 854 N 4.6985 8.6913 120.0065 52.7250 39.5370 173.3572 855 P 3.5045 0.0000 0.0000 63.5675 32.6617 175.4886 856 Y 3.4132 7.0127 115.4934 58.3955 35.1051 169.6415 857 P 4.4982 0.0000 0.0000 64.0560 32.2697 177.6585 858 G 3.9182 9.0759 111.0078 45.4521 0.0000 172.5474 859 I 4.3546 7.4690 120.6143 59.0861 38.7103 175.7125 860 L 3.9952 8.1615 125.5001 53.9930 42.3048 177.0830 861 V 3.0416 7.8241 122.0948 62.7967 31.4039 174.6321 862 N 4.5579 7.5027 125.2936 51.7695 39.7672 174.6459 863 S 4.4092 8.7523 112.7616 62.4784 62.7064 176.5810 864 K 4.0049 8.0764 119.4103 59.2034 32.0707 178.7683 865 F 4.0127 7.9562 120.8355 61.3946 39.3481 176.8525 866 Y 4.1300 7.3946 116.2125 61.0540 37.7837 178.7413 867 K 4.0635 8.0369 119.1767 59.2089 32.0402 179.3967 868 L 3.8696 7.4003 118.9319 58.0352 41.4466 180.0283 869 V 3.7678 7.1824 111.6518 64.0405 31.3131 178.4890 870 K 4.0033 7.8343 118.8804 59.1367 32.1079 177.6401 871 D 4.7107 7.5898 116.0210 54.1420 41.1062 177.1881 872 G 4.0649 7.8568 108.3360 44.8251 0.0000 173.7332 873 Y 4.0450 7.6324 120.9475 58.1886 39.1531 175.5367 874 Q 4.1767 7.2349 124.0644 53.6979 32.7195 175.0886 875 M 3.7838 7.2255 119.4933 54.9375 32.5335 176.5163 876 A 4.3022 8.1620 124.4794 51.2358 19.5250 177.3250 877 Q 3.2096 7.9378 120.6523 55.4710 29.3671 175.1948 878 P 4.2000 0.0000 0.0000 62.0721 32.1617 177.1889 879 A 3.7040 8.3206 123.8686 55.0711 18.2529 178.7532 880 F 4.6414 7.5567 111.2387 57.3725 39.4806 175.8439 881 A 3.9055 7.4817 125.2703 50.7929 19.1152 176.6503 882 P 4.5185 0.0000 0.0000 61.6696 33.5773 177.7904 883 K 4.0172 8.3868 119.1585 59.8598 32.2036 178.4603 884 N 4.9561 8.0101 117.6305 55.4788 38.4761 177.3974 885 I 3.6221 7.5747 121.1128 64.3779 37.3547 177.5509 886 Y 4.1211 7.7997 119.5841 60.1563 38.5802 178.0257 887 S 3.8322 7.5923 116.3541 61.3529 62.8009 176.2959 888 I 3.3190 7.0590 121.9190 64.6376 36.8678 178.2265 889 M 3.0323 7.1295 118.9209 58.2552 31.4059 178.9404 890 Q 3.6913 6.7300 115.9324 58.6686 28.9987 178.5724 891 A 3.9833 7.4576 121.7376 55.1813 18.2577 179.4949 892 C 4.0797 7.7743 115.1879 61.8053 27.7319 175.1519 893 W 4.1505 6.9489 118.7213 55.0589 29.5291 176.1196 894 A 4.1936 7.3011 122.3449 52.3378 18.2810 179.0717 895 L 4.2526 8.6896 122.7215 57.2322 42.2654 177.2106 896 E 4.3551 8.1253 120.3537 54.3624 29.7899 174.7112 897 P 4.3272 0.0000 0.0000 65.9914 31.5338 178.2102 898 T 4.1848 7.7711 105.7134 63.4486 69.2378 175.1468 899 H 4.4213 8.0959 119.0799 57.7509 29.1832 176.2410 900 R 4.2697 7.3412 117.3745 55.0887 30.4033 174.7789 901 P 4.8971 0.0000 0.0000 62.1943 32.3113 176.5474 902 T 4.1757 8.1303 110.3376 60.8571 71.4753 175.6596 903 F 4.0902 8.3922 119.0244 60.3087 38.7150 177.8538 904 Q 4.0096 8.0977 119.1855 59.0521 28.8447 177.8153 905 Q 4.0450 8.0097 118.9738 59.0495 28.9178 178.8822 906 I 3.6967 7.7242 120.6062 64.7892 37.1332 178.1522 907 C 4.1602 8.3966 117.6903 63.0252 27.6708 176.3603 908 S 4.1501 7.7244 114.0504 61.2979 62.2447 175.7725 909 F 4.0966 8.1828 123.0013 60.8301 38.8346 177.0512 910 L 4.2550 7.8235 117.8929 57.4049 41.6780 178.3090 911 Q 4.0592 7.8981 117.0098 56.3460 29.1147 175.6064 912 E 3.9182 7.6567 123.7467 57.4963 30.1904 174.0125 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 545 K 8.26 5.47 0.00 1.79 1.67 0.00 1.67 0.00 0.00 2.36 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.97 7.81 546 Y 8.81 3.61 0.00 2.80 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 0.00 547 Q 7.31 3.72 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 548 V 7.65 3.84 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 0.53 0.00 0.00 0.76 0.00 0.00 549 R 8.00 4.47 0.00 1.77 1.77 0.00 3.12 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 550 W 8.47 4.42 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 K 8.78 4.66 0.00 1.66 1.66 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.34 7.81 552 I 8.46 4.83 1.89 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 1.47 0.85 0.95 0.00 0.00 553 I 8.01 4.39 1.89 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 1.40 0.65 0.97 0.00 0.00 *570 P 0.00 4.27 0.00 2.15 2.19 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 571 Y 8.46 4.54 0.00 2.85 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 0.00 572 N 8.39 4.53 0.00 2.80 2.70 0.00 0.00 6.87 7.61 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 0.00 573 E 8.45 3.92 0.00 2.05 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 2.45 2.45 0.00 574 K 7.60 4.03 0.00 1.62 1.80 0.00 0.83 0.00 0.00 1.30 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 0.70 7.81 575 W 7.88 4.47 0.00 3.55 3.38 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 0.00 576 E 7.64 4.75 0.00 2.30 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 2.52 2.50 0.00 577 F 8.73 4.95 0.00 3.16 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 0.00 578 P 0.00 4.49 0.00 1.81 1.89 0.00 2.20 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 579 R 8.90 4.27 0.00 2.02 2.27 0.00 3.05 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 580 N 8.06 4.52 0.00 2.82 2.96 0.00 0.00 5.94 7.97 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 0.00 581 N 8.08 5.09 0.00 2.51 3.25 0.00 0.00 5.80 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 L 8.03 5.03 0.00 1.97 1.84 1.01 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 0.00 583 Q 8.88 4.65 0.00 2.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 584 F 9.09 4.68 0.00 2.83 2.94 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 0.00 0.00 0.00 585 G 8.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 K 8.60 4.44 0.00 1.82 1.91 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.42 7.81 587 T 8.34 4.12 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 1.19 0.00 0.00 588 L 8.78 4.23 0.00 1.59 1.69 0.98 0.96 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 0.00 589 G 7.41 4.12 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 0.00 0.00 0.00 590 A 8.74 4.98 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 0.00 591 G 8.30 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 0.00 0.00 0.00 0.00 592 A 8.59 4.18 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 0.00 593 F 8.00 4.39 0.00 3.12 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 0.00 594 G 7.31 4.06 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 0.00 595 K 7.64 4.50 0.00 1.73 1.81 0.00 1.23 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.23 7.81 596 V 8.35 4.85 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 0.70 0.00 0.00 0.90 0.00 0.00 597 V 8.13 4.73 1.97 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 0.49 0.00 0.00 0.24 0.00 0.00 598 E 8.66 4.80 0.00 1.63 1.60 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 1.99 1.80 0.00 599 A 8.27 4.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 T 8.53 4.62 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 0.84 0.00 0.00 601 A 8.46 4.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 F 8.88 4.37 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 G 8.96 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 0.00 604 L 7.78 4.46 0.00 1.43 1.52 0.57 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 605 G 8.89 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 0.00 0.00 0.00 606 K 8.62 3.95 0.00 1.73 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 607 E 8.25 4.03 0.00 2.06 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 2.29 0.00 608 D 7.74 4.42 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 A 7.36 4.46 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 0.00 610 V 8.34 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.14 0.00 0.00 611 L 7.97 4.79 0.00 1.75 1.67 0.86 0.41 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 0.00 612 K 8.50 4.49 0.00 1.65 1.63 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.75 1.30 7.81 613 V 8.55 4.69 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 0.59 0.00 0.00 0.79 0.00 0.00 614 A 8.51 4.98 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 0.00 615 V 8.49 4.56 1.72 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 0.95 0.00 0.00 0.80 0.00 0.00 616 K 8.80 4.75 0.00 1.68 1.60 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.32 7.81 617 M 8.64 5.00 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 618 L 8.24 4.84 0.00 1.53 1.62 1.01 0.79 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 0.00 619 K 8.23 4.75 0.00 1.64 1.11 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 620 S 8.61 4.65 0.00 3.92 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 0.00 621 T 7.64 4.09 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 0.00 622 A 7.77 3.41 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 *624 A 8.14 4.21 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 0.00 625 D 8.30 4.83 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 E 7.91 4.33 0.00 2.02 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 0.00 2.39 2.75 0.00 627 K 8.17 3.87 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.47 7.81 628 E 8.19 3.91 0.00 2.03 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 0.00 2.36 2.37 0.00 629 A 7.96 3.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 630 L 8.00 4.06 0.00 1.86 1.85 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 631 M 7.96 3.96 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.78 0.00 632 S 8.16 4.10 0.00 3.93 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 0.00 633 E 8.27 3.81 0.00 1.90 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 2.14 2.05 0.00 634 L 7.77 3.80 0.00 1.84 1.69 0.62 0.30 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 0.00 635 K 8.11 4.24 0.00 2.01 1.89 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.50 7.81 636 I 7.75 3.75 1.86 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 1.55 0.98 1.05 0.00 0.00 637 M 7.63 4.03 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 638 S 8.06 4.04 0.00 4.10 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 0.00 639 H 8.09 4.52 0.00 3.32 3.54 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 L 8.01 4.14 0.00 1.88 2.02 1.35 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 641 G 7.50 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 0.00 0.00 0.00 642 Q 8.27 4.56 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 643 H 8.54 4.17 0.00 1.44 2.34 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 E 8.70 4.06 0.00 2.09 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 2.02 2.33 0.00 645 N 8.36 5.26 0.00 2.66 2.84 0.00 0.00 7.82 7.31 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 0.00 646 I 7.65 4.85 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.67 1.19 0.00 0.00 647 V 8.48 3.77 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.22 0.00 0.00 648 N 9.06 4.82 0.00 2.82 2.72 0.00 0.00 6.63 7.01 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 0.00 649 L 8.34 4.28 0.00 1.29 1.08 0.70 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 650 L 9.14 4.86 0.00 1.49 1.65 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 651 G 7.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 A 7.95 5.05 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 0.00 653 C 9.19 4.97 0.00 2.90 2.92 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 0.00 654 T 9.31 4.39 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 0.63 0.00 0.00 655 H 7.69 4.95 0.00 3.17 3.20 0.00 5.79 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 0.00 656 G 8.77 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 0.00 657 G 7.82 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 0.00 658 P 0.00 4.37 0.00 2.07 2.00 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 659 V 8.18 4.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.85 0.00 0.00 660 L 8.83 4.90 0.00 1.69 1.59 1.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 661 V 8.44 4.37 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 0.83 0.00 0.00 0.85 0.00 0.00 662 I 8.32 4.64 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.76 0.00 0.00 663 T 8.73 5.10 4.29 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 1.18 0.00 0.00 664 E 8.50 4.35 0.00 1.92 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 2.34 2.26 0.00 665 Y 8.52 4.29 0.00 2.64 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 0.00 666 C 7.73 4.27 0.00 2.69 2.70 0.00 0.00 0.00 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1.25 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 1.38 0.39 0.09 0.00 0.00 828 F 7.69 4.66 0.00 2.92 2.92 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 0.00 829 D 8.12 4.72 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 C 7.79 4.34 0.00 3.08 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 0.00 831 V 7.03 4.00 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 0.95 0.00 0.00 0.92 0.00 0.00 832 Y 8.76 4.70 0.00 2.93 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 0.00 833 T 8.08 4.70 4.29 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 1.25 0.00 0.00 834 V 8.48 3.75 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 1.26 0.00 0.00 0.98 0.00 0.00 835 Q 8.16 4.09 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 836 S 7.97 4.26 0.00 4.37 4.05 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 0.00 837 D 8.33 4.74 0.00 3.28 3.09 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 0.00 838 V 7.61 3.41 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 0.81 0.00 0.00 0.43 0.00 0.00 839 W 8.11 4.65 0.00 3.72 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 840 S 8.50 4.90 0.00 4.36 4.49 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 0.00 841 Y 8.84 4.44 0.00 3.43 3.34 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 0.00 842 G 8.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 I 8.14 4.14 2.21 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.31 0.47 0.00 0.00 844 L 8.28 4.44 0.00 2.11 1.81 1.09 0.43 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 0.00 845 L 8.04 4.01 0.00 1.87 1.75 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 846 W 8.31 4.24 0.00 3.74 3.56 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 0.00 847 E 8.58 4.14 0.00 2.50 2.19 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 2.74 2.98 0.00 848 I 8.06 3.72 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.55 0.00 0.00 849 F 8.19 4.69 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 S 7.36 4.64 0.00 3.34 2.87 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 0.00 851 L 8.68 3.51 0.00 1.72 1.65 0.44 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 852 G 8.06 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 0.00 853 L 7.16 4.28 0.00 1.74 1.83 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 854 N 8.69 4.70 0.00 2.82 2.84 0.00 0.00 7.27 8.20 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 0.00 855 P 0.00 3.50 0.00 1.62 1.27 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.80 0.00 856 Y 7.01 3.41 0.00 2.96 2.91 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 0.00 857 P 0.00 4.50 0.00 2.13 2.13 0.00 3.74 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 858 G 9.08 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 0.00 859 I 7.47 4.35 1.99 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 1.29 1.00 0.89 0.00 0.00 860 L 8.16 4.00 0.00 1.54 1.48 0.88 0.91 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 0.00 861 V 7.82 3.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.29 0.00 0.00 862 N 7.50 4.56 0.00 2.91 2.83 0.00 0.00 6.16 7.39 0.00 0.00 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 S 8.75 4.41 0.00 3.94 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 0.00 864 K 8.08 4.00 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.55 7.81 865 F 7.96 4.01 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 Y 7.39 4.13 0.00 3.22 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 0.00 867 K 8.04 4.06 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.74 7.81 868 L 7.40 3.87 0.00 1.45 1.31 0.55 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 869 V 7.18 3.77 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 0.08 0.00 0.00 0.79 0.00 0.00 870 K 7.83 4.00 0.00 1.92 2.03 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.35 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.19 1.38 7.81 871 D 7.59 4.71 0.00 2.93 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 0.00 872 G 7.86 4.06 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 0.00 873 Y 7.63 4.04 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 874 Q 7.23 4.18 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 875 M 7.23 3.78 0.00 1.21 1.01 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.57 0.00 876 A 8.16 4.30 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 0.00 877 Q 7.94 3.21 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 878 P 0.00 4.20 0.00 2.21 1.48 0.00 3.56 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 2.05 1.47 0.00 879 A 8.32 3.70 0.70 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 0.00 0.00 0.00 0.00 0.00 0.00 880 F 7.56 4.64 0.00 3.33 3.15 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 0.00 881 A 7.48 3.91 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 0.00 882 P 0.00 4.52 0.00 2.10 1.97 0.00 3.05 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 2.04 2.13 0.00 883 K 8.39 4.02 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.55 7.81 884 N 8.01 4.96 0.00 2.90 3.19 0.00 0.00 7.68 7.08 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 0.00 885 I 7.57 3.62 1.53 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 1.33 1.20 0.26 0.00 0.00 886 Y 7.80 4.12 0.00 2.90 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 0.00 887 S 7.59 3.83 0.00 3.75 3.65 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 0.00 888 I 7.06 3.32 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 1.21 0.48 0.85 0.00 0.00 889 M 7.13 3.03 0.00 0.51 1.19 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 890 Q 6.73 3.69 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.37 0.00 891 A 7.46 3.98 1.19 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 0.00 892 C 7.77 4.08 0.00 2.41 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 893 W 6.95 4.15 0.00 3.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 A 7.30 4.19 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 0.00 895 L 8.69 4.25 0.00 1.72 1.81 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 896 E 8.13 4.36 0.00 2.08 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 2.38 2.35 0.00 897 P 0.00 4.33 0.00 2.23 2.14 0.00 3.67 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 898 T 7.77 4.18 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 1.20 0.00 0.00 899 H 8.10 4.42 0.00 3.41 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 900 R 7.34 4.27 0.00 1.96 1.82 0.00 3.28 0.00 0.00 3.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 901 P 0.00 4.90 0.00 2.04 1.94 0.00 3.30 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 902 T 8.13 4.18 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 1.19 0.00 0.00 903 F 8.39 4.09 0.00 3.05 3.16 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 0.00 904 Q 8.10 4.01 0.00 2.21 2.12 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 2.46 2.54 0.00 905 Q 8.01 4.04 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 906 I 7.72 3.70 1.96 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 1.43 1.08 0.93 0.00 0.00 907 C 8.40 4.16 0.00 3.19 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 908 S 7.72 4.15 0.00 3.86 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 0.00 909 F 8.18 4.10 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 910 L 7.82 4.26 0.00 2.05 1.83 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 911 Q 7.90 4.06 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.12 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 912 E 7.66 3.92 0.00 2.04 1.79 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 2.12 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.