NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 621 S 4.3187 8.3344 116.7744 57.6941 64.0452 176.1041 622 K 3.6610 9.1504 129.6850 57.0278 33.4004 170.9884 623 E 4.7157 9.5457 129.8975 55.7454 30.8756 174.7692 624 I 4.5310 8.8240 128.6982 59.3408 39.6695 175.0695 625 D 4.4646 8.5385 125.9315 53.5840 42.1129 176.8570 626 I 3.6941 8.5509 126.7276 63.8397 38.0842 177.5786 627 S 4.2577 8.3112 113.8700 60.7010 63.0248 174.7518 628 C 4.3606 8.4792 118.4783 60.0144 28.4989 173.0148 629 V 4.6376 7.4205 122.0731 61.5100 33.0293 175.9042 630 K 4.5219 8.3456 129.4485 53.5551 35.2089 173.9222 631 I 4.0616 8.5769 130.0717 61.5364 37.2868 176.4476 632 E 4.5845 9.1164 125.8822 57.8598 30.8533 173.4962 633 Q 4.5965 7.4412 115.9466 54.8958 31.7305 172.9225 634 V 4.4388 8.4836 120.7935 62.9798 31.8490 175.5065 635 I 4.5889 8.9149 119.7930 60.3022 39.1261 175.0605 636 G 4.1265 7.6362 108.1674 45.9752 0.0000 171.9055 637 A 5.0683 8.8391 122.4776 50.0209 20.9940 177.0454 638 G 4.0940 8.8492 112.0826 43.6184 0.0000 174.3362 639 E 3.9395 8.7286 119.7529 58.0678 29.9090 177.3250 640 F 4.6428 8.4401 115.6965 56.4816 40.9124 174.9653 641 G 4.7250 6.7088 105.0612 45.8635 0.0000 172.0391 642 E 4.5844 8.1505 118.5551 56.3705 31.1413 176.4212 643 V 4.8511 8.9590 122.1533 61.5682 34.2224 174.3948 644 C 5.4245 9.4690 124.8931 57.9845 32.7009 172.6623 645 S 4.8414 8.2792 113.7992 57.1190 66.0490 174.1738 646 G 3.6596 6.7905 105.5922 46.7489 0.0000 171.6568 647 H 5.5219 8.1955 116.0470 53.8836 32.5076 173.6782 648 L 4.8449 8.9089 122.3564 53.5306 44.9193 175.0947 649 K 4.9070 9.0238 129.0329 54.3371 32.2236 175.6184 650 L 4.2470 8.1793 124.6159 52.7894 42.9401 175.3576 651 P 4.1050 0.0000 0.0000 64.3928 31.5338 177.5970 652 G 4.1366 8.9460 113.1564 45.7551 0.0000 173.9377 653 K 4.3402 7.4749 117.5555 55.3145 33.0375 176.9838 654 R 4.1294 8.1779 119.9370 55.8651 30.7114 176.4644 655 E 4.5602 8.5833 122.9065 56.5091 30.4216 175.7801 656 I 4.8598 8.5577 118.5156 59.1208 41.7105 173.7503 657 F 4.8738 8.7963 125.4928 58.0065 40.5087 174.7846 658 V 4.6056 8.1897 117.4623 60.0832 36.9693 173.2471 659 A 5.1218 9.2492 123.3339 50.6404 21.4680 176.4471 660 I 4.7531 9.2335 122.8871 59.4956 40.6967 174.6188 661 K 4.9402 8.8689 128.2588 55.6230 33.6677 176.4507 662 T 5.1268 9.1335 115.7085 59.8212 72.0061 172.8597 663 L 4.2372 7.8111 125.6651 53.0328 42.8686 176.2149 664 K 4.1369 8.5154 128.5693 56.7130 32.7040 176.7379 665 S 4.4643 8.6881 120.5807 59.3240 63.8079 173.4664 666 G 3.6665 8.2819 107.5192 46.6986 0.0000 173.6169 667 Y 4.4913 6.9792 116.6305 56.0249 39.4415 175.4212 668 T 4.4205 8.2659 111.4090 60.9299 71.6936 175.2648 669 E 4.0180 8.8186 122.6887 59.5012 29.4854 179.2992 670 K 3.9671 8.0469 119.1218 59.6039 32.4498 178.5364 671 Q 4.2454 8.1404 118.3221 59.2122 28.7960 179.0248 672 R 3.6454 8.3162 119.7090 59.4612 30.1220 178.8554 673 R 3.9369 7.9698 117.9198 59.2445 29.8158 178.7998 674 D 4.3487 8.2566 118.4331 57.0086 40.9431 178.3016 675 F 3.3775 7.6208 121.0700 61.0986 39.5383 177.3308 676 L 3.7356 7.6886 117.9751 57.0386 41.2903 179.5211 677 S 4.0742 7.7077 114.7687 61.2547 62.8758 176.0849 678 E 4.1630 7.9948 124.0252 58.5119 29.2242 178.7488 679 A 3.8481 7.5125 120.3196 55.0411 18.1742 179.8011 680 S 3.9085 7.7372 112.1923 62.1029 63.2975 176.2936 681 I 3.5130 7.7970 122.7604 64.5726 36.7528 178.3222 682 M 3.5325 8.0529 117.7411 58.0421 30.7882 178.7935 683 G 3.4375 7.8192 106.5406 47.0688 0.0000 174.6928 684 Q 4.0475 7.1380 117.3334 55.9345 29.1175 175.3470 685 F 5.1192 6.6304 119.4881 56.3323 41.5649 175.1347 686 D 4.3172 8.6494 117.0106 54.6709 42.6998 174.0002 687 H 4.4210 7.6971 124.5414 53.6898 32.5712 172.7030 688 P 4.3230 0.0000 0.0000 64.9096 31.3251 176.6407 689 N 4.9665 8.4532 116.2060 52.6800 39.1419 173.2811 690 V 4.7054 7.6724 118.0678 60.7689 34.2381 175.1669 691 I 3.8420 8.4337 128.3458 62.5456 37.7976 175.0640 692 H 4.4820 10.1118 128.0777 55.7671 31.0935 173.5083 693 L 4.5680 8.1454 127.8147 54.1179 42.3290 175.8720 694 E 4.0161 9.0692 126.8166 57.1703 30.5126 177.6335 695 G 3.8001 6.7601 104.7091 45.5264 0.0000 171.1294 696 V 4.7854 8.0273 112.1407 59.6418 35.8796 174.6408 697 V 4.6859 8.6628 121.2955 61.5541 32.8905 176.0392 698 T 4.4918 9.0245 116.4157 61.4980 70.4511 175.6116 699 K 4.0881 8.5478 121.3084 58.4182 32.2780 176.0735 700 S 4.9544 7.7350 111.2629 56.5322 65.8009 172.4936 701 T 4.6622 8.2099 115.8608 61.3198 70.6966 172.4989 702 P 4.6360 0.0000 0.0000 61.5997 32.9583 175.8574 703 V 3.9875 8.1631 119.7782 63.6697 32.4410 174.7089 704 M 5.5266 9.2371 126.4308 53.7239 36.9758 174.7350 705 I 4.6174 8.6441 120.3392 59.7897 40.8040 174.5593 706 I 4.8315 8.5264 129.3232 60.5105 38.8383 175.5631 707 T 5.1228 8.8300 116.2493 59.4725 72.8766 172.8772 708 E 4.4635 8.6636 120.0237 56.3413 30.3790 176.4317 709 F 4.6579 8.7759 123.4285 57.8982 40.5226 175.5341 710 M 4.3213 7.5317 126.9205 52.4682 32.4863 175.1554 711 E 3.3371 7.9513 124.2733 58.9140 29.8734 177.5160 712 N 4.5716 7.8606 113.6581 51.9177 39.2652 177.1728 713 G 3.6768 7.8578 108.3563 46.1738 0.0000 173.0772 714 S 4.5995 8.4243 115.6996 58.5635 64.5603 174.8523 715 L 4.1767 8.8487 128.2032 58.1497 41.8171 179.2492 716 D 4.4371 8.1329 118.9443 56.7525 39.3125 178.7039 717 S 4.2582 8.0852 114.3966 60.6092 63.1318 175.6284 718 F 4.4654 8.4358 124.5651 61.2398 39.1349 177.1612 719 L 4.0643 8.4517 118.9345 57.6634 41.2626 179.4520 720 R 4.2168 7.9870 116.8566 58.2846 30.0850 177.8979 721 Q 4.4119 7.3301 115.7515 55.7453 29.9562 175.1124 722 N 4.6919 7.7664 118.5273 51.5518 39.6865 174.2280 723 D 3.6322 8.0231 117.2429 55.5376 41.5309 175.6540 724 G 3.4695 5.3800 113.7281 46.6073 0.0000 173.5094 725 Q 4.1773 7.0890 115.8792 55.0868 28.9406 175.4516 726 F 5.3411 7.7271 116.1893 55.4827 42.6315 175.3047 727 T 4.5135 8.2689 112.9408 60.7808 71.5615 175.9636 728 V 3.6066 8.2467 120.4607 66.2013 31.4606 178.1925 729 I 3.7372 7.6976 119.2063 64.2523 37.0293 178.2007 730 Q 3.9212 8.1440 118.8536 58.9614 28.6216 178.6601 731 L 3.8654 7.9659 119.9332 58.0127 41.6152 179.8332 732 V 3.7048 8.0226 118.1079 65.8235 31.3362 178.2532 733 G 3.5915 8.0105 105.5096 48.1062 0.0000 175.5077 734 M 4.0532 7.8804 121.4580 58.1196 31.8810 178.9506 735 L 4.1096 8.0611 119.0802 57.6733 41.7461 179.5727 736 R 4.0172 8.4549 119.1665 59.2251 30.0608 178.5783 737 G 3.7247 8.0487 105.5856 48.1911 0.0000 175.6170 738 I 3.7827 7.8051 122.3612 63.8811 37.1086 178.4804 739 A 3.8307 8.4526 121.7195 54.9824 18.1627 179.5808 740 A 4.0451 8.7937 119.8844 55.1038 18.3847 180.1766 741 G 3.3017 8.0554 104.2711 48.2560 0.0000 176.0007 742 M 3.7770 7.8802 121.3445 57.3809 31.5612 178.8608 743 K 3.8838 7.7296 120.0952 59.4331 32.2960 178.2168 744 Y 3.9740 7.9090 119.7484 60.7174 38.7390 177.8099 745 L 3.5937 8.1982 120.0209 57.7228 41.7585 179.4521 746 A 4.0062 8.1910 120.7867 55.4736 18.1665 179.4279 747 D 4.4871 8.0575 116.1604 57.4576 40.8743 178.0324 748 M 4.2641 7.6759 116.8927 54.4189 32.1048 175.7401 749 N 4.2847 8.4110 115.6451 54.5526 36.7744 173.2233 750 Y 4.6171 8.3678 119.0316 55.7470 40.3700 174.7419 751 V 4.1986 7.4574 126.9146 61.1155 32.5603 174.5034 752 H 3.9610 8.9944 128.6417 58.1952 29.8715 178.0534 753 R 4.4343 8.5632 116.6146 56.6058 29.6524 176.1821 754 A 4.8000 7.9428 120.0952 51.3052 19.4688 175.9917 755 L 3.8711 8.3187 122.5588 56.4222 42.8802 175.6507 756 A 4.5015 8.1354 126.1137 50.9203 22.0758 176.3404 757 A 4.1211 9.4797 124.5062 55.3892 18.5316 180.7366 758 R 4.4408 7.7885 109.9876 58.2011 29.8266 176.9442 759 N 4.8199 8.4063 116.2586 52.8077 38.8429 173.6274 760 I 5.0254 7.6309 119.4897 59.5738 40.4055 174.9221 761 L 5.0407 8.7747 126.4636 53.3946 44.4843 175.6471 762 V 4.8333 8.1621 120.5082 61.2963 35.1219 174.9207 763 N 4.8297 8.4126 125.1442 51.2206 39.7846 175.7126 764 S 4.0871 8.6931 113.9476 62.0144 62.8150 175.4238 765 N 4.5537 8.1514 114.2410 53.1400 38.3323 175.4346 766 L 3.5771 8.1346 117.5184 54.9055 39.9786 174.3968 767 V 3.7928 7.9719 120.5014 63.0726 32.3849 174.6296 768 C 5.2627 8.6028 125.2325 58.3171 30.1074 173.2715 769 K 4.7945 8.9578 121.5406 54.4062 36.4552 175.9836 770 V 3.9235 8.8219 124.6093 63.4378 32.6603 175.1150 771 S 4.7237 7.9690 121.3239 58.1948 65.3523 171.7131 772 D 4.2988 8.7108 112.0047 55.4755 38.5283 174.0980 773 F 4.7935 7.9106 116.1060 56.9949 40.3634 178.3003 774 G 3.5894 8.1341 111.1308 48.0011 0.0000 173.1842 *797 P 4.4602 0.0000 0.0000 61.6029 32.0412 176.8194 798 I 3.7321 7.9182 115.8696 63.7366 37.9219 179.2328 799 R 3.8464 8.0544 114.9134 57.0150 29.2638 176.6212 800 W 4.7385 8.4329 118.0130 56.8725 30.8075 175.4072 801 T 4.5878 7.8196 115.2809 61.7285 69.6523 175.2164 802 A 2.5800 7.8827 126.3982 50.5708 20.4510 176.8250 803 P 3.7758 0.0000 0.0000 65.9377 31.3322 179.0770 804 E 3.9364 7.7944 116.2104 59.3184 29.5094 179.1403 805 A 3.6513 7.3586 121.5675 54.2018 18.0304 179.5989 806 I 3.6324 7.0758 117.8446 64.1231 37.3069 178.0014 807 Q 3.8150 7.6031 119.2983 58.3401 28.6676 176.1478 808 Y 4.6541 7.7081 115.1025 57.0204 38.5703 176.2089 809 R 4.7022 7.8434 116.2896 56.3421 27.3238 176.8067 810 K 4.3081 7.3045 121.5012 55.2751 30.8521 174.1643 811 F 4.8421 8.6118 123.5161 55.7048 40.5391 175.6611 812 T 4.8227 8.7544 114.5505 58.9616 72.1703 174.8026 813 S 4.2782 8.9228 117.5122 61.9941 62.2483 176.9650 814 A 4.0499 8.0800 123.2022 55.0574 18.0696 179.5020 815 S 4.2623 8.5090 112.8875 61.2401 63.2406 176.3775 816 D 4.6782 8.1604 122.4655 57.1334 40.7020 178.5172 817 V 3.4850 7.8471 119.2018 65.3257 31.5264 177.9013 818 W 4.5124 8.0461 129.1576 60.2664 30.6217 178.0405 819 S 4.7895 8.3914 116.3409 61.4702 62.2894 176.0474 820 Y 4.3305 8.9792 122.6650 60.7356 38.5058 178.4960 821 G 3.2629 8.3777 106.6438 47.7680 0.0000 175.7390 822 I 4.0424 8.1036 122.1010 64.1658 37.0916 178.6063 823 V 3.9232 8.3238 119.5369 66.4526 31.3437 177.7962 824 M 3.8293 7.9046 118.4168 58.2293 31.7382 178.6350 825 W 4.0462 8.0939 127.8873 60.4452 30.8237 177.9447 826 E 4.0648 8.6121 118.7894 59.3041 28.8476 179.5278 827 V 3.5538 7.9245 118.2577 66.3885 31.5263 178.1238 828 M 3.8503 7.7749 116.6487 57.0206 31.7136 177.7919 829 S 4.3056 7.0580 112.8300 56.8147 64.1076 173.4954 830 Y 3.4174 8.4562 118.2984 59.6880 35.4997 171.3866 831 G 3.9791 8.9624 104.9379 45.4822 0.0000 173.5407 832 E 4.1184 7.4744 119.9300 55.7891 30.3292 176.2416 833 R 4.3090 8.4913 123.6360 54.7021 30.8463 174.0887 834 P 3.1955 0.0000 0.0000 64.1959 31.7335 175.6196 835 Y 3.2367 6.7176 117.6962 57.4204 36.5807 170.7177 836 W 3.3601 7.1694 124.7700 59.2389 28.7262 175.6464 837 D 4.8715 9.2007 125.7881 54.3647 39.0742 175.6445 838 M 4.3081 8.0379 119.4036 56.7979 32.6472 177.1461 839 T 4.3004 8.1106 118.2120 62.8660 70.8508 176.0138 840 N 4.1961 8.5969 120.5918 56.8045 38.6347 177.5538 841 Q 3.8709 7.9450 120.2364 59.1573 29.2079 177.7817 842 D 4.3335 7.8252 119.6325 57.1466 40.8126 178.7089 843 V 3.2633 7.8988 119.2081 65.7678 31.4350 178.1378 844 I 3.5284 7.7276 119.6531 64.5490 36.9302 178.1842 845 N 4.2810 8.5582 117.3562 56.0775 38.3061 177.3557 846 A 3.9390 8.3722 122.4989 55.3427 18.5392 179.6204 847 I 3.7925 8.0120 118.6180 64.7209 36.9279 178.5116 848 E 4.0377 7.9567 118.3513 59.4571 29.3782 178.9432 849 Q 4.2542 7.8941 113.7473 56.1044 28.4557 176.0488 850 D 4.5965 7.8677 118.4672 55.3593 38.7825 173.4980 851 Y 4.4445 8.0064 119.6507 57.3763 39.5089 174.9532 852 R 4.2451 6.8088 122.6580 53.7360 34.3340 175.1414 853 L 3.5562 7.2958 120.7258 54.3084 41.8495 175.7769 854 P 4.6418 0.0000 0.0000 61.2618 32.2715 174.1104 855 P 4.3516 0.0000 0.0000 61.7364 31.6656 175.3889 856 P 4.3398 0.0000 0.0000 61.9269 31.9898 175.4377 857 M 4.0107 8.4577 119.8338 57.6067 32.3464 175.6324 858 D 4.3932 8.6380 123.3646 55.5275 38.6590 172.7813 859 C 4.6181 7.5607 118.7236 56.7187 33.1157 172.1826 860 P 4.4406 0.0000 0.0000 62.6380 32.5350 177.3535 861 S 4.1605 8.6729 117.5076 61.7365 62.5822 177.0548 862 A 3.9530 7.9159 123.6871 55.0252 18.2466 179.4205 863 L 3.9004 7.8067 117.0602 58.1812 41.6843 179.0518 864 H 4.1141 8.1929 118.1910 59.2291 29.7633 177.1027 865 Q 3.7983 8.2243 121.5344 58.9060 28.8057 178.0242 866 L 3.9962 7.5487 121.1569 58.0678 42.0786 178.8372 867 M 3.1696 7.4208 118.5415 58.1431 31.5767 178.5413 868 L 3.8440 7.2326 117.6997 58.0701 41.7878 179.2167 869 D 4.4087 7.5140 117.8901 57.4644 40.8239 178.3264 870 C 4.2127 7.6713 117.1630 61.4468 27.9684 174.2935 871 W 3.9366 7.1825 120.0710 55.4183 30.1895 176.3144 872 Q 4.4304 7.7888 117.8650 54.8881 29.4527 175.9782 873 K 3.9583 9.2010 124.5635 59.5537 32.2918 176.0407 874 D 4.5675 8.0504 120.7124 52.8545 40.8496 176.2351 875 R 4.0173 8.7410 124.9370 59.4497 29.3561 178.7684 876 N 4.4062 8.2814 115.0109 56.0249 38.5713 175.7036 877 H 4.6501 8.1501 114.1027 56.8809 29.3428 176.0744 878 R 4.1203 7.5520 119.3438 54.9545 30.4164 174.8262 879 P 4.4247 0.0000 0.0000 62.6126 32.2501 176.3520 880 K 4.3433 8.7455 118.7916 55.1542 34.6935 178.0495 881 F 4.0318 8.6789 120.5966 60.7868 38.7849 178.2848 882 G 3.6798 8.1720 104.7747 47.9423 0.0000 175.6260 883 Q 3.9794 7.9638 120.0833 58.6212 28.7614 178.3951 884 I 3.5910 7.7948 121.0494 64.4823 37.0742 178.3697 885 V 3.5707 8.0223 118.9801 66.2890 31.3685 177.6664 886 N 4.2999 8.1542 115.9658 56.6869 38.1426 177.5112 887 T 3.8525 8.1779 116.2744 66.6751 68.9140 176.3539 888 L 4.1465 8.1924 121.0958 57.9969 41.6794 179.3823 889 D 4.3972 8.4236 119.0355 57.1580 40.7088 178.7472 890 K 4.0426 8.1803 120.1734 59.4920 31.9149 178.8252 891 M 4.1509 7.7041 118.4249 58.1005 31.8832 178.3245 892 I 3.9594 7.5175 119.0527 64.0872 37.5068 178.0645 893 R 4.1467 7.7682 117.8452 57.9576 31.5000 177.2209 894 N 4.9222 7.8887 116.9737 50.3335 37.8363 173.4692 895 P 4.5083 0.0000 0.0000 65.0524 32.3860 178.2212 896 N 4.6376 8.0667 114.8948 54.8625 38.8844 176.9262 897 S 4.2841 8.4543 112.5757 60.0634 63.3105 174.8853 898 L 4.4173 7.3902 120.6958 55.4427 42.1349 178.4385 899 K 3.9713 7.8411 120.6124 57.2080 31.9980 181.9325 900 A 4.0591 7.9107 124.1621 52.6239 17.5294 177.0170 901 M 4.1849 8.3880 119.8027 56.6198 32.3511 176.1505 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 621 S 8.33 4.32 0.00 3.79 3.37 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 0.00 622 K 9.15 3.66 0.00 1.88 1.66 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.47 7.81 623 E 9.55 4.72 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 624 I 8.82 4.53 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.90 0.00 0.00 625 D 8.54 4.46 0.00 2.67 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 0.00 626 I 8.55 3.69 1.87 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 1.47 1.06 0.91 0.00 0.00 627 S 8.31 4.26 0.00 4.03 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 0.00 628 C 8.48 4.36 0.00 3.06 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 0.00 629 V 7.42 4.64 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 0.73 0.00 0.00 0.92 0.00 0.00 630 K 8.35 4.52 0.00 1.37 1.63 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.28 7.81 631 I 8.58 4.06 1.87 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 1.19 0.94 0.91 0.00 0.00 632 E 9.12 4.58 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 633 Q 7.44 4.60 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 634 V 8.48 4.44 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 0.87 0.00 0.00 1.07 0.00 0.00 635 I 8.91 4.59 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 1.10 0.00 0.00 636 G 7.64 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 637 A 8.84 5.07 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 0.00 638 G 8.85 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 E 8.73 3.94 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 640 F 8.44 4.64 0.00 3.13 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 0.00 641 G 6.71 4.73 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 0.00 0.00 0.00 642 E 8.15 4.58 0.00 1.96 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 2.42 2.32 0.00 643 V 8.96 4.85 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 1.05 0.00 0.00 1.04 0.00 0.00 644 C 9.47 5.42 0.00 2.81 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 0.00 645 S 8.28 4.84 0.00 3.16 3.94 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 0.00 646 G 6.79 3.66 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 0.00 0.00 0.00 647 H 8.20 5.52 0.00 3.17 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 L 8.91 4.84 0.00 1.68 1.47 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 649 K 9.02 4.91 0.00 1.73 1.68 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 650 L 8.18 4.25 0.00 1.68 1.58 0.92 1.10 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 0.00 651 P 0.00 4.10 0.00 2.17 2.01 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 652 G 8.95 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 0.00 653 K 7.47 4.34 0.00 1.80 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 654 R 8.18 4.13 0.00 1.81 1.87 0.00 3.22 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 655 E 8.58 4.56 0.00 2.00 1.87 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 2.40 2.38 0.00 656 I 8.56 4.86 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 1.26 0.64 1.00 0.00 0.00 657 F 8.80 4.87 0.00 2.84 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 0.00 658 V 8.19 4.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.82 0.00 0.00 659 A 9.25 5.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 660 I 9.23 4.75 1.85 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 1.18 0.77 0.92 0.00 0.00 661 K 8.87 4.94 0.00 1.91 2.03 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.44 7.81 662 T 9.13 5.13 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 1.24 0.00 0.00 663 L 7.81 4.24 0.00 0.38 1.14 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 664 K 8.52 4.14 0.00 1.91 1.75 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.42 7.81 665 S 8.69 4.46 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 666 G 8.28 3.67 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 0.00 0.00 0.00 667 Y 6.98 4.49 0.00 3.10 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 0.00 668 T 8.27 4.42 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 1.26 0.00 0.00 669 E 8.82 4.02 0.00 2.16 2.05 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 2.42 2.48 0.00 670 K 8.05 3.97 0.00 1.91 1.85 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.79 1.58 7.81 671 Q 8.14 4.25 0.00 2.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 672 R 8.32 3.65 0.00 1.67 2.12 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.00 673 R 7.97 3.94 0.00 2.08 1.95 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 674 D 8.26 4.35 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 675 F 7.62 3.38 0.00 2.02 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 0.00 676 L 7.69 3.74 0.00 1.66 1.58 0.87 0.44 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 0.00 677 S 7.71 4.07 0.00 4.05 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 0.00 678 E 7.99 4.16 0.00 1.96 1.90 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 2.28 2.34 0.00 679 A 7.51 3.85 1.16 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 0.00 0.00 680 S 7.74 3.91 0.00 3.90 3.83 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 0.00 681 I 7.80 3.51 2.10 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 1.85 1.40 0.97 0.00 0.00 682 M 8.05 3.53 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 683 G 7.82 3.44 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 0.00 684 Q 7.14 4.05 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 685 F 6.63 5.12 0.00 2.98 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 0.00 686 D 8.65 4.32 0.00 2.60 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 0.00 687 H 7.70 4.42 0.00 1.51 2.43 0.00 5.73 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 P 0.00 4.32 0.00 2.12 2.04 0.00 2.88 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 689 N 8.45 4.97 0.00 2.75 2.87 0.00 0.00 6.53 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 690 V 7.67 4.71 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 0.81 0.00 0.00 0.89 0.00 0.00 691 I 8.43 3.84 2.02 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 1.32 0.98 0.95 0.00 0.00 692 H 10.11 4.48 0.00 3.21 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 693 L 8.15 4.57 0.00 1.54 1.40 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 694 E 9.07 4.02 0.00 1.99 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 2.39 0.00 695 G 6.76 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 696 V 8.03 4.79 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 697 V 8.66 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 698 T 9.02 4.49 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 0.00 699 K 8.55 4.09 0.00 1.77 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.37 7.81 700 S 7.74 4.95 0.00 3.94 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 0.00 701 T 8.21 4.66 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 1.25 0.00 0.00 702 P 0.00 4.64 0.00 2.17 2.06 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 703 V 8.16 3.99 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 1.02 0.00 0.00 0.78 0.00 0.00 704 M 9.24 5.53 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 705 I 8.64 4.62 1.68 0.00 0.00 -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 0.89 0.26 0.74 0.00 0.00 706 I 8.53 4.83 1.83 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 1.26 1.12 0.92 0.00 0.00 707 T 8.83 5.12 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 1.17 0.00 0.00 708 E 8.66 4.46 0.00 2.09 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 2.34 2.29 0.00 709 F 8.78 4.66 0.00 2.93 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 0.00 710 M 7.53 4.32 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 711 E 7.95 3.34 0.00 1.88 1.90 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 2.34 2.61 0.00 712 N 7.86 4.57 0.00 2.25 1.76 0.00 0.00 7.13 7.76 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 0.00 713 G 7.86 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 0.00 0.00 0.00 714 S 8.42 4.60 0.00 3.92 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 0.00 715 L 8.85 4.18 0.00 1.80 1.93 1.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 716 D 8.13 4.44 0.00 3.03 3.01 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 0.00 717 S 8.09 4.26 0.00 4.12 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 0.00 718 F 8.44 4.47 0.00 3.46 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 719 L 8.45 4.06 0.00 1.96 1.79 0.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 720 R 7.99 4.22 0.00 1.98 2.02 0.00 3.21 0.00 0.00 3.45 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 721 Q 7.33 4.41 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 722 N 7.77 4.69 0.00 2.12 1.95 0.00 0.00 6.53 8.24 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 0.00 723 D 8.02 3.63 0.00 2.42 2.34 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 0.00 724 G 5.38 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 725 Q 7.09 4.18 0.00 1.50 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.64 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 726 F 7.73 5.34 0.00 3.24 2.86 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.20 0.00 0.00 824 M 7.90 3.83 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 825 W 8.09 4.05 0.00 3.59 3.35 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 0.00 826 E 8.61 4.06 0.00 2.33 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 0.00 2.63 2.86 0.00 827 V 7.92 3.55 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 0.98 0.00 0.00 0.96 0.00 0.00 828 M 7.77 3.85 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 829 S 7.06 4.31 0.00 3.36 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 0.00 830 Y 8.46 3.42 0.00 3.07 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 831 G 8.96 3.98 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 1.19 0.00 0.00 840 N 8.60 4.20 0.00 2.69 2.82 0.00 0.00 6.50 8.12 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 0.00 841 Q 7.95 3.87 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 842 D 7.83 4.33 0.00 2.92 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 0.00 843 V 7.90 3.26 1.90 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 -0.03 0.00 0.00 0.52 0.00 0.00 844 I 7.73 3.53 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.82 0.00 0.00 845 N 8.56 4.28 0.00 2.73 2.82 0.00 0.00 6.98 7.18 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 0.00 846 A 8.37 3.94 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 0.00 847 I 8.01 3.79 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.94 1.05 0.00 0.00 848 E 7.96 4.04 0.00 2.13 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 2.29 2.59 0.00 849 Q 7.89 4.25 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 850 D 7.87 4.60 0.00 2.90 2.86 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 0.00 851 Y 8.01 4.44 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 R 6.81 4.25 0.00 1.62 1.71 0.00 3.47 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 853 L 7.30 3.56 0.00 0.80 0.75 -1.22 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 854 P 0.00 4.64 0.00 2.33 2.15 0.00 4.10 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 855 P 0.00 4.35 0.00 2.00 1.88 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 856 P 0.00 4.34 0.00 1.89 1.41 0.00 3.54 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.00 857 M 8.46 4.01 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 858 D 8.64 4.39 0.00 2.90 2.76 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 0.00 0.00 0.00 859 C 7.56 4.62 0.00 2.77 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 0.00 860 P 0.00 4.44 0.00 2.18 2.13 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 861 S 8.67 4.16 0.00 4.09 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 0.00 862 A 7.92 3.95 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 0.00 863 L 7.81 3.90 0.00 1.78 1.68 0.89 0.98 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 0.00 864 H 8.19 4.11 0.00 3.21 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 Q 8.22 3.80 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 866 L 7.55 4.00 0.00 1.83 1.62 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 867 M 7.42 3.17 0.00 0.51 1.56 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.19 0.00 868 L 7.23 3.84 0.00 1.59 1.65 0.84 1.22 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 0.00 869 D 7.51 4.41 0.00 2.68 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 0.00 870 C 7.67 4.21 0.00 2.48 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 W 7.18 3.94 0.00 2.97 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 0.00 0.00 0.00 872 Q 7.79 4.43 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 873 K 9.20 3.96 0.00 1.82 1.94 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 874 D 8.05 4.57 0.00 2.63 2.31 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 0.00 875 R 8.74 4.02 0.00 2.05 2.21 0.00 3.02 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 876 N 8.28 4.41 0.00 2.88 2.94 0.00 0.00 7.05 7.44 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 0.00 877 H 8.15 4.65 0.00 3.23 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 878 R 7.55 4.12 0.00 1.98 1.85 0.00 3.37 0.00 0.00 3.64 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 879 P 0.00 4.42 0.00 2.07 1.99 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 880 K 8.75 4.34 0.00 1.81 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.61 7.81 881 F 8.68 4.03 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 G 8.17 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 0.00 0.00 0.00 883 Q 7.96 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 884 I 7.79 3.59 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.74 0.00 0.00 885 V 8.02 3.57 2.26 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 1.13 0.00 0.00 1.00 0.00 0.00 886 N 8.15 4.30 0.00 2.92 2.85 0.00 0.00 7.12 6.60 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 0.00 887 T 8.18 3.85 4.37 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 1.19 0.00 0.00 888 L 8.19 4.15 0.00 1.85 1.73 1.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 889 D 8.42 4.40 0.00 2.82 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 0.00 890 K 8.18 4.04 0.00 1.83 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 891 M 7.70 4.15 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.57 0.00 892 I 7.52 3.96 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.74 0.91 0.00 0.00 893 R 7.77 4.15 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 894 N 7.89 4.92 0.00 2.73 2.73 0.00 0.00 7.03 7.84 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 0.00 895 P 0.00 4.51 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 896 N 8.07 4.64 0.00 2.75 2.85 0.00 0.00 6.92 7.25 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 0.00 897 S 8.45 4.28 0.00 3.92 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 0.00 898 L 7.39 4.42 0.00 1.83 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 899 K 7.84 3.97 0.00 1.81 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.26 7.81 900 A 7.91 4.06 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 0.00 901 M 8.39 4.18 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 * Residues marked with a * may have inaccurate shift predictions.