NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 L 4.3036 8.1693 120.9955 55.5368 41.9363 176.7655 603 K 4.2071 8.2179 115.8812 57.0545 32.8366 175.3873 604 F 4.7460 8.0093 118.3587 57.6326 40.5080 176.0964 605 T 4.6287 7.5710 113.5898 60.4011 70.5228 173.0370 606 T 4.2075 8.3425 124.9601 63.3993 69.9487 173.0747 607 E 4.7513 8.7299 126.8640 55.6548 30.6665 175.2743 608 I 4.5834 8.4682 127.7323 59.6865 39.7722 174.9574 609 H 4.4337 8.6296 125.2496 54.8544 31.0303 174.1744 610 P 4.0524 0.0000 0.0000 65.7012 31.2028 178.5668 611 S 4.2142 7.6764 110.7771 60.7155 63.2605 174.9834 612 C 4.2417 8.3901 119.4161 61.3070 28.2414 172.9553 613 V 4.8422 7.2771 119.1569 61.2189 33.1352 174.9822 614 T 4.6107 8.6003 121.0511 60.3696 70.7691 172.3400 615 R 4.8208 8.5531 126.8942 54.7427 32.0067 175.7460 616 Q 4.5877 8.7134 121.1002 55.9546 31.9714 175.2594 617 K 4.5741 7.6250 116.9048 55.4191 35.5931 173.9081 618 V 4.3353 8.6818 127.0613 62.5619 31.9036 175.4579 619 I 4.4137 8.5825 120.6138 60.3423 38.9818 175.0114 620 G 4.0192 7.3656 108.4953 46.6416 0.0000 172.0815 621 A 4.8689 8.5555 121.9938 50.5385 20.9230 176.8631 622 G 3.9815 8.9461 112.2881 45.3981 0.0000 173.2828 623 E 3.8435 8.5882 116.4828 58.9558 29.9326 178.3048 624 F 4.3794 8.3708 117.9208 57.5386 40.0552 175.6228 625 G 3.8234 6.7303 106.0931 45.9836 0.0000 171.1928 626 E 4.3936 7.5364 119.2328 56.1665 31.2224 176.2070 627 V 4.8010 8.1910 122.2324 61.5281 33.9557 174.2050 628 Y 5.2196 9.2321 125.5505 56.3300 41.4354 174.3741 629 K 4.7716 9.2031 123.4657 55.4253 34.4289 175.8710 630 G 4.8189 8.8074 113.0335 44.7264 0.0000 170.7496 631 M 5.3107 8.8991 118.2835 53.3237 36.0516 174.7658 632 L 5.1708 8.9921 124.3244 53.2239 45.5650 175.0063 633 K 4.8459 8.6565 125.4397 55.4295 32.5843 176.5855 634 T 4.4380 8.3213 112.5209 61.8463 71.7870 174.3742 *639 K 4.4453 7.6708 120.7453 56.9876 35.3880 174.4453 640 E 5.0086 8.3575 114.6549 55.7445 32.0800 175.8845 641 V 4.6513 8.6932 121.5779 59.0310 34.8013 173.1742 642 P 4.8763 0.0000 0.0000 63.4170 32.1039 175.8733 643 V 4.9276 8.6609 113.8235 60.0904 36.7235 173.5300 644 A 5.0550 8.8626 125.6781 51.3076 20.7547 176.4609 645 I 4.9135 9.1437 122.7282 59.6014 40.4468 174.6838 646 K 5.1546 9.3974 128.2762 55.1754 33.6861 176.1978 647 T 5.6403 8.8113 115.3757 59.2508 71.6321 173.7198 648 L 4.3774 7.9051 124.2930 52.7185 43.4081 175.9799 649 K 4.2787 9.1523 128.4737 56.1068 32.8951 176.5612 650 A 4.0956 8.5271 127.5803 53.4443 18.8349 178.1248 651 G 3.9074 8.5534 108.0243 44.9945 0.0000 173.5867 652 Y 4.2828 7.4852 118.4977 57.1548 38.3504 177.5143 653 T 3.7781 8.6416 120.4377 65.3793 68.6998 174.8266 654 E 4.3468 8.3908 118.2982 56.1418 28.4137 174.9073 655 K 4.5446 7.7032 116.3660 57.1030 34.2604 178.1796 656 Q 4.2982 8.3027 119.2733 58.2597 28.7124 177.8369 657 R 3.7593 8.2728 117.4898 59.7975 28.9788 179.0562 658 V 3.6796 7.5882 113.0721 63.8960 31.4277 178.4512 659 D 4.4183 8.1261 117.1300 57.7055 40.8904 177.6049 660 F 3.3093 8.5368 121.9516 60.3190 39.3723 176.7902 661 L 3.7758 8.4296 119.1265 57.7091 41.6738 180.1205 662 G 3.5801 8.1524 106.0972 47.5747 0.0000 175.1465 663 E 3.8972 7.7811 121.6845 59.2482 29.6085 178.9612 664 A 3.9719 7.7497 120.1631 54.8538 18.1875 179.7214 665 G 3.5042 7.5049 103.2395 47.8899 0.0000 175.8494 666 I 3.5041 7.4990 122.2773 64.2736 37.0657 178.3821 667 M 3.5151 7.8363 118.8492 57.9048 31.7842 178.0018 668 G 3.7150 7.4922 105.7293 45.9916 0.0000 175.0571 669 Q 3.0414 6.8960 118.9501 56.0593 29.0485 175.7874 670 F 5.1377 6.1655 118.6515 55.9377 40.8827 176.0707 671 S 4.3280 8.7371 118.8176 57.7655 63.5785 172.5517 672 H 4.4613 7.9975 125.6073 54.5129 32.4637 173.8475 673 H 4.0519 8.3149 124.8144 58.7015 29.9345 175.7048 674 N 5.0403 8.1317 114.9069 52.6892 38.9718 173.2328 675 I 4.9921 7.2180 118.5374 59.1089 40.0989 175.5255 676 I 3.9735 8.4589 127.4295 61.2319 38.7649 175.0635 677 R 4.4065 8.7541 129.4603 55.1303 31.7294 174.9265 678 L 4.5449 8.3391 128.0433 54.3077 42.8789 176.1715 679 E 4.1774 8.9888 126.7104 57.0214 30.3427 177.2489 680 G 3.9514 7.0005 103.7022 46.4271 0.0000 170.8518 681 V 5.0099 7.4404 111.2825 59.9839 37.0387 174.1871 682 I 4.9237 9.0026 117.4173 59.6072 39.5602 175.1120 683 S 4.7674 8.2183 122.5175 57.4281 64.9515 174.4552 684 K 4.1458 8.9289 118.5106 56.6613 30.7401 176.1014 685 Y 4.7320 7.5943 113.5119 55.9392 41.0953 174.9743 686 K 4.2171 8.4493 121.2077 55.2663 33.9976 176.6033 687 P 3.9094 0.0000 0.0000 62.6031 27.6083 175.0692 688 M 4.6403 8.0612 126.9074 56.0415 33.4067 175.4984 689 M 5.5710 9.4239 120.6726 53.8689 37.2531 174.1744 690 I 4.6565 9.0492 123.0163 59.6892 40.0156 174.5034 691 I 5.0401 8.5506 128.6305 59.8430 39.4265 175.1091 692 T 5.1341 8.9033 116.8579 59.1291 72.7528 172.8035 693 E 4.4369 8.5727 120.2783 56.4938 30.3075 176.0546 694 Y 4.4229 8.6438 124.1549 57.5841 39.9958 174.6565 695 M 4.1884 8.1037 126.7197 53.1997 32.1589 176.3415 696 E 3.2160 8.1412 122.2835 57.7851 29.9300 177.5590 697 N 4.5771 7.6244 116.0594 51.9074 39.7245 176.8802 698 G 3.5783 7.8785 107.9346 46.0288 0.0000 173.1105 699 A 4.4882 8.2523 122.4486 52.1067 20.3760 178.3451 700 L 4.1539 8.7102 125.4579 57.7348 42.2143 179.3713 701 D 4.3991 8.0614 118.9655 56.4277 39.3772 178.2638 702 K 3.9454 8.1182 121.3970 58.9280 32.0408 178.2398 703 F 4.3884 8.2453 119.6109 61.4875 39.4933 176.8428 704 L 4.1690 8.3498 118.5983 57.6934 41.1888 179.6061 705 R 4.2276 7.7930 118.6581 58.0210 30.0940 177.9206 706 E 4.3937 7.7172 116.4757 56.6009 30.1502 176.7987 707 K 4.4185 7.2427 118.6944 55.4263 33.1898 175.0640 708 D 3.5309 7.9223 118.1999 56.1524 40.9938 176.8440 709 G 3.6154 5.9491 114.8594 45.0750 0.0000 173.3337 710 E 4.1377 6.8581 116.5838 56.2332 30.3578 175.9602 711 F 5.0285 7.5484 117.2024 55.7533 41.2444 176.1366 712 S 4.5908 9.0058 117.9540 57.8416 65.1627 175.5455 713 V 3.6299 8.2956 121.5165 66.0243 31.2141 178.2020 714 L 3.9708 7.8557 118.2848 57.9773 41.6719 179.1011 715 Q 4.0166 8.3225 118.1276 59.1170 28.7250 179.3120 716 L 3.8907 7.8503 119.8260 57.6786 41.5948 179.6289 717 V 3.6773 8.1762 118.7324 65.8303 31.4591 178.0215 718 G 3.7536 8.6266 105.8106 48.4204 0.0000 175.4609 719 M 4.0870 7.8410 121.0369 58.0441 31.9002 178.9464 720 L 4.1474 7.9342 119.0281 57.5241 41.7658 179.4073 721 R 4.0385 8.3912 119.3170 59.4218 30.0536 178.7667 722 G 3.6620 8.0562 105.3815 47.9073 0.0000 175.6988 723 I 3.7266 7.8580 122.1043 64.0968 37.2019 178.3135 724 A 3.5925 8.6086 121.7993 55.0976 18.0938 179.5855 725 A 4.1219 8.1601 119.3997 55.0475 18.4676 180.1432 726 G 3.4098 8.0810 104.4252 48.1173 0.0000 175.9865 727 M 3.6474 7.6939 121.0567 57.5925 31.6805 178.5025 728 K 3.8085 8.1311 120.1480 59.9100 32.2774 178.1689 729 Y 3.9150 7.8555 119.5634 60.3706 38.5768 177.8252 730 L 3.4906 7.6856 119.8044 57.4277 41.7252 179.0176 731 A 4.0206 7.9517 120.7873 55.5810 18.1550 179.5677 732 N 4.4841 8.1090 113.0756 55.9572 38.5827 176.5177 733 M 4.2029 7.3314 118.2356 54.0990 32.9177 175.2277 734 N 4.2294 8.7747 117.5984 55.2667 37.9209 173.0363 735 Y 5.0458 8.1869 113.6587 55.9751 41.1824 175.8287 736 V 4.4241 8.4355 124.0232 61.8057 32.6955 176.1790 737 H 4.0489 9.7523 128.0823 59.2515 29.8771 177.5670 738 R 4.2773 8.6428 115.5758 56.3905 29.2847 175.7692 739 D 4.8153 7.7050 116.4576 53.3304 41.6539 174.9839 740 L 4.0215 8.2646 120.1669 54.4294 42.8842 175.1825 741 A 4.5405 7.9249 126.4708 50.9161 21.9194 176.5893 742 A 4.1128 9.3031 123.7003 55.0800 18.5961 180.5950 743 R 4.7315 7.7909 110.4484 58.1542 29.9675 176.8389 744 N 4.8544 8.0094 115.8663 52.8587 40.1327 173.8865 745 I 4.8535 7.6513 120.7658 59.5057 40.1800 174.5108 746 L 5.1417 8.5989 126.7501 53.0933 44.0904 175.7500 747 V 5.3733 8.7843 122.4772 60.3389 35.2368 174.3234 748 N 5.3030 8.0020 122.8791 50.9607 40.3036 174.6793 749 S 4.2244 9.3848 112.5372 60.6186 63.2893 174.4092 750 N 4.5888 8.1687 117.3625 52.7688 38.4872 174.9445 751 L 3.5423 7.7673 116.7892 55.4227 39.9740 174.2748 752 V 3.8644 7.7870 119.8810 62.8887 32.3971 174.6465 753 C 5.2593 8.5850 124.9664 58.0888 30.8492 173.4218 754 K 4.7157 8.6370 120.8906 54.4527 36.3786 176.0814 755 V 3.9181 8.7046 125.3364 63.4032 32.7517 174.9640 756 S 4.6376 7.8561 120.6618 57.8513 65.9737 172.5171 757 D 4.3404 8.6527 115.4946 55.5154 38.2962 172.7316 758 F 4.4106 9.3128 118.0206 56.5151 39.6141 177.9793 759 G 3.9818 7.6369 110.9595 48.6576 0.0000 174.9337 760 L 4.5383 7.7980 116.4174 53.9030 42.0007 176.0060 761 S 5.0469 7.9350 113.8515 56.3747 64.6754 173.6220 762 R 4.8607 8.4150 121.3301 53.9734 34.3722 174.9035 763 V 3.4961 7.9853 120.9583 62.6150 32.3592 176.0176 764 L 3.9445 8.0974 127.6442 55.2599 40.5427 176.7409 *778 K 4.3756 8.5700 124.5545 55.6099 33.8458 176.0044 779 I 4.7800 7.3725 116.3356 58.8221 41.0541 174.1801 780 P 4.7824 0.0000 0.0000 61.3514 30.3031 176.4707 781 I 3.6949 8.4138 128.4517 65.2849 37.3360 178.1698 782 R 4.0570 8.0506 112.5220 56.7614 29.7140 176.6075 783 W 4.7074 8.6405 118.6521 57.1909 30.1207 175.6014 784 T 4.6218 7.6942 115.9148 61.4189 69.4763 174.6714 785 A 2.5800 8.2643 128.7937 50.9803 19.2799 176.6240 786 P 3.8621 0.0000 0.0000 65.6858 31.2201 178.6990 787 E 3.8754 7.9627 116.4020 58.3648 29.2107 178.0943 788 A 4.0271 7.5297 121.0024 53.1234 19.7113 179.1686 789 I 3.5745 7.2182 117.6271 64.5869 37.4142 178.2449 790 S 3.9946 7.5339 113.6443 61.2307 63.1636 174.8866 791 Y 4.4487 7.1870 119.0348 56.8785 38.4150 175.7096 792 R 4.2384 7.5810 117.7042 57.5557 27.9614 176.5724 793 K 4.2996 7.2609 117.5541 54.5014 31.0209 175.6983 794 F 4.6355 7.9655 120.9700 56.3134 40.5919 176.2384 795 T 4.4461 8.2247 117.7573 61.7708 73.3644 174.7070 796 S 4.3542 8.6861 119.7736 62.1227 62.8974 177.1176 797 A 4.0441 8.0749 122.7361 54.7405 17.7675 179.3103 798 S 4.2474 8.1549 111.5808 62.1064 62.4617 176.1393 799 D 4.7061 8.3285 120.9067 57.4523 40.3332 179.0507 800 V 3.3661 7.7260 118.3359 65.3014 31.7124 177.3947 801 W 4.6522 8.3347 129.7173 60.2422 30.4779 177.8526 802 S 4.8653 8.5576 115.6647 61.3433 62.3409 176.8056 803 F 4.3820 8.9862 123.4597 61.0102 39.1785 177.4599 804 G 3.1328 8.2636 105.7279 47.6059 0.0000 175.8220 805 I 4.0153 7.8966 121.7466 64.1346 37.2120 178.4555 806 V 3.8750 8.2522 119.4173 66.3969 31.3301 177.6206 807 M 3.7164 7.9999 118.7873 58.3538 31.4654 178.7448 808 W 4.0591 8.0863 127.9070 60.5534 30.8906 177.7358 809 E 3.9768 9.0060 119.0014 59.5998 28.9662 179.7696 810 V 3.4592 7.9312 118.0737 66.0959 31.5309 177.5870 811 M 4.1098 7.8263 115.3750 56.5422 31.6918 177.1521 812 T 4.1527 7.0314 112.3077 60.6093 67.9299 173.1195 813 Y 4.0091 8.0775 116.1691 60.0768 35.6615 170.8156 814 G 3.9017 8.8781 105.4304 45.6962 0.0000 174.1072 815 E 3.9268 7.2366 119.8450 55.5522 30.0923 176.5267 816 R 3.9701 8.8595 125.7241 56.0101 30.3162 173.7972 817 P 3.5026 0.0000 0.0000 64.4025 31.7472 175.7023 818 Y 2.4999 6.3742 118.2588 57.4701 36.1617 170.6509 819 W 3.4984 6.4425 122.0755 58.6062 29.0223 175.1358 820 E 4.6872 9.0933 124.6310 57.0896 29.0225 175.9332 821 L 4.0909 7.8647 119.1720 55.0205 42.3320 178.0113 822 S 4.4903 9.2952 117.4180 57.5615 65.4352 175.4775 823 N 4.2089 8.4787 118.8039 56.6988 38.3087 177.0118 824 H 4.0992 8.2821 116.0589 59.1606 28.1168 177.0746 825 E 3.7999 7.8851 121.0006 58.7865 29.1600 179.1664 826 V 3.1405 7.5187 118.2634 66.3379 31.3727 177.9909 827 M 3.8502 7.8250 117.9509 58.0772 31.7984 178.5423 828 K 3.7792 8.0673 119.4726 59.6386 32.4022 178.3909 829 A 3.9784 8.0817 121.0653 55.3125 18.1474 179.7270 830 I 3.6794 7.9129 118.2027 64.7864 37.0306 178.3849 831 N 4.3252 8.1067 116.0044 56.2828 38.4241 176.3134 832 D 4.6960 8.0309 117.5831 53.9257 41.1623 176.5146 833 G 3.8961 8.6122 107.9897 46.3367 0.0000 173.9614 834 F 4.4015 8.7363 122.1202 57.7543 39.9697 174.5812 835 R 4.2073 7.3514 125.2427 53.4988 33.3429 175.5162 836 L 3.4645 6.9610 120.4876 54.1588 41.9355 175.4873 837 P 4.8152 0.0000 0.0000 60.8681 32.8079 175.6280 838 T 3.2462 7.5583 113.3652 61.0413 67.6696 172.1926 839 P 4.3506 0.0000 0.0000 62.0946 32.1016 175.4966 840 M 4.0420 8.3168 120.1695 57.1812 32.5081 175.6015 841 D 4.4225 8.7166 123.4498 55.2773 38.6790 172.9154 842 C 4.3023 7.6261 119.6167 57.9993 32.2318 172.3351 843 P 4.3891 0.0000 0.0000 63.0460 32.8205 177.8040 844 S 4.2136 8.3722 117.3466 61.5942 62.7685 177.1153 845 A 3.7291 7.9597 123.2551 54.7912 18.1816 179.6630 846 I 3.6017 7.6499 118.0403 64.6937 36.8592 177.6355 847 Y 4.1574 8.1357 120.4208 60.8982 38.6603 177.7841 848 Q 3.7761 8.7531 121.2110 59.2081 29.0144 178.4543 849 L 3.7546 7.8117 121.0710 58.0615 41.9210 178.1153 850 M 3.1179 7.7486 117.5005 58.9490 32.1501 177.7731 851 M 3.8349 7.2963 118.2180 58.5138 32.0378 178.9285 852 Q 3.8848 7.6431 117.7500 59.0149 28.2672 178.6434 853 C 4.1421 7.6243 117.6598 61.6255 27.8419 174.9376 854 W 3.8652 7.3140 118.5541 55.0928 29.2288 176.4797 855 Q 4.1252 7.7222 118.4176 56.3852 28.8238 176.6275 856 Q 4.1665 9.0456 123.6024 59.2511 29.4659 176.2844 857 E 4.1330 8.1911 120.1159 56.1236 28.9542 177.3724 858 R 3.9893 8.8272 122.1562 59.0989 29.4510 178.9710 859 A 4.0195 8.0022 119.9759 54.3709 18.5050 177.9960 860 R 4.3603 7.8284 113.0034 56.5737 30.8115 177.2529 861 R 4.5763 7.3164 117.2910 54.5141 30.6677 174.9317 862 P 4.3644 0.0000 0.0000 62.4041 32.1639 177.1182 863 K 4.1744 8.7489 120.2375 55.8662 34.1841 178.4908 864 F 4.0042 8.5936 120.1064 60.8880 38.6722 178.0148 865 A 4.0452 8.0104 119.8828 55.1367 18.2154 179.1714 866 D 4.3830 7.9361 118.2910 56.9997 40.8568 178.8995 867 I 3.6609 7.8251 120.3890 64.2467 37.0096 178.5960 868 V 3.5878 7.8968 119.2506 66.0969 31.1646 178.2577 869 S 4.0970 7.8439 113.7633 61.5340 62.6885 176.2253 870 I 3.8552 8.2326 122.5720 63.4976 37.7237 177.8555 871 L 4.0723 8.3585 120.5091 57.5978 41.3124 179.1013 872 D 4.3846 8.3704 119.3020 57.3041 40.6424 178.9200 873 K 3.9971 8.1671 118.8612 58.9606 31.7238 179.3686 874 L 4.2505 7.3938 120.1739 56.8619 41.8672 178.9055 875 I 3.8359 7.7167 118.7235 64.0660 37.0846 177.9656 876 R 4.3601 8.1670 117.0421 56.1599 31.8143 176.5968 877 A 4.7297 7.3516 121.7713 48.8153 18.9146 174.5380 878 P 4.2162 0.0000 0.0000 64.9157 32.2902 178.9326 879 D 4.4076 8.1972 117.9835 57.1536 40.9386 178.1790 880 S 4.2823 8.5109 113.3413 60.0777 62.8729 175.1861 881 L 4.6641 7.5327 119.6585 54.5881 42.0474 176.9108 882 K 4.1948 7.9005 121.5166 58.6051 32.8392 176.5761 883 T 4.1266 7.7359 112.9934 61.8571 68.9775 174.0853 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 602 L 8.17 4.30 0.00 1.75 1.82 0.91 0.10 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 0.00 603 K 8.22 4.21 0.00 1.75 1.82 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.35 7.81 604 F 8.01 4.75 0.00 3.00 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 0.00 605 T 7.57 4.63 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 1.17 0.00 0.00 606 T 8.34 4.21 4.38 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 1.21 0.00 0.00 607 E 8.73 4.75 0.00 1.97 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 2.31 2.46 0.00 608 I 8.47 4.58 1.88 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 1.12 0.76 0.90 0.00 0.00 609 H 8.63 4.43 0.00 3.14 3.13 0.00 5.69 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 0.00 610 P 0.00 4.05 0.00 1.65 1.72 0.00 2.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.43 0.00 611 S 7.68 4.21 0.00 3.96 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 C 8.39 4.24 0.00 3.12 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 0.00 613 V 7.28 4.84 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 0.67 0.00 0.00 0.90 0.00 0.00 614 T 8.60 4.61 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 1.19 0.00 0.00 615 R 8.55 4.82 0.00 1.44 1.54 0.00 2.21 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.35 0.00 616 Q 8.71 4.59 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 617 K 7.62 4.57 0.00 1.81 1.59 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 618 V 8.68 4.34 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 0.73 0.00 0.00 0.84 0.00 0.00 619 I 8.58 4.41 1.98 0.00 0.00 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 1.26 0.89 1.06 0.00 0.00 620 G 7.37 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 A 8.56 4.87 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 0.00 622 G 8.95 3.98 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 0.00 623 E 8.59 3.84 0.00 1.80 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 1.90 1.47 0.00 624 F 8.37 4.38 0.00 3.18 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 0.00 625 G 6.73 3.82 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 0.00 0.00 0.00 626 E 7.54 4.39 0.00 1.45 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 627 V 8.19 4.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 628 Y 9.23 5.22 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 K 9.20 4.77 0.00 1.54 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.00 1.16 7.81 630 G 8.81 4.82 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 0.00 0.00 0.00 631 M 8.90 5.31 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 632 L 8.99 5.17 0.00 1.69 1.46 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 633 K 8.66 4.85 0.00 1.67 1.71 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 634 T 8.32 4.44 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 1.21 0.00 0.00 *639 K 7.67 4.45 0.00 1.88 1.95 0.00 1.54 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 640 E 8.36 5.01 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 641 V 8.69 4.65 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 0.94 0.00 0.00 0.94 0.00 0.00 642 P 0.00 4.88 0.00 2.20 2.09 0.00 3.77 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 2.06 2.06 0.00 643 V 8.66 4.93 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 0.76 0.00 0.00 0.95 0.00 0.00 644 A 8.86 5.05 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 0.00 645 I 9.14 4.91 2.09 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 1.27 0.74 1.03 0.00 0.00 646 K 9.40 5.15 0.00 1.88 1.96 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.45 7.81 647 T 8.81 5.64 4.35 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 1.51 0.00 0.00 648 L 7.91 4.38 0.00 0.35 1.09 0.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 649 K 9.15 4.28 0.00 1.87 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.48 7.81 650 A 8.53 4.10 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 0.00 651 G 8.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 Y 7.49 4.28 0.00 3.08 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 0.00 653 T 8.64 3.78 4.47 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 1.26 0.00 0.00 654 E 8.39 4.35 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 655 K 7.70 4.54 0.00 1.97 2.09 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.51 7.81 656 Q 8.30 4.30 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 657 R 8.27 3.76 0.00 1.95 2.06 0.00 3.03 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 658 V 7.59 3.68 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 0.83 0.00 0.00 1.03 0.00 0.00 659 D 8.13 4.42 0.00 2.88 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 0.00 660 F 8.54 3.31 0.00 2.65 2.96 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 0.00 661 L 8.43 3.78 0.00 1.82 1.66 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 662 G 8.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 E 7.78 3.90 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 664 A 7.75 3.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 G 7.50 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.50 1.91 0.00 0.00 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 1.55 0.84 0.52 0.00 0.00 667 M 7.84 3.52 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 668 G 7.49 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 Q 6.90 3.04 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 670 F 6.17 5.14 0.00 2.84 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 0.00 671 S 8.74 4.33 0.00 3.78 3.75 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 0.00 672 H 8.00 4.46 0.00 1.54 2.35 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 H 8.31 4.05 0.00 2.91 3.08 0.00 5.94 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 0.00 674 N 8.13 5.04 0.00 2.87 2.82 0.00 0.00 6.93 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 0.00 675 I 7.22 4.99 1.79 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 0.96 0.65 1.01 0.00 0.00 676 I 8.46 3.97 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 1.15 0.65 1.10 0.00 0.00 677 R 8.75 4.41 0.00 1.95 1.76 0.00 3.12 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 678 L 8.34 4.54 0.00 1.55 1.50 0.98 0.95 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 0.00 679 E 8.99 4.18 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 680 G 7.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 681 V 7.44 5.01 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 0.62 0.00 0.00 0.92 0.00 0.00 682 I 9.00 4.92 1.98 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 1.32 1.13 1.02 0.00 0.00 683 S 8.22 4.77 0.00 3.81 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 0.00 684 K 8.93 4.15 0.00 2.10 1.78 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.36 7.81 685 Y 7.59 4.73 0.00 2.92 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 0.00 686 K 8.45 4.22 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 687 P 0.00 3.91 0.00 2.17 2.49 0.00 4.01 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 688 M 8.06 4.64 0.00 2.11 1.79 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 2.44 2.73 0.00 689 M 9.42 5.57 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 690 I 9.05 4.66 1.68 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.05 0.79 0.00 0.00 691 I 8.55 5.04 1.88 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 1.30 1.29 0.93 0.00 0.00 692 T 8.90 5.13 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 693 E 8.57 4.44 0.00 2.04 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 2.31 2.25 0.00 694 Y 8.64 4.42 0.00 2.85 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 0.00 695 M 8.10 4.19 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 696 E 8.14 3.22 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 697 N 7.62 4.58 0.00 2.19 1.73 0.00 0.00 6.92 7.81 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 0.00 698 G 7.88 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 699 A 8.25 4.49 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 0.00 700 L 8.71 4.15 0.00 1.92 1.91 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 701 D 8.06 4.40 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 0.00 702 K 8.12 3.95 0.00 1.92 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.56 7.81 703 F 8.25 4.39 0.00 3.25 3.33 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 0.00 704 L 8.35 4.17 0.00 2.07 1.85 0.90 0.92 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 0.00 705 R 7.79 4.23 0.00 2.05 2.02 0.00 3.16 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 706 E 7.72 4.39 0.00 2.04 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 0.00 2.32 2.37 0.00 707 K 7.24 4.42 0.00 1.41 1.16 0.00 1.63 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.08 0.83 7.81 708 D 7.92 3.53 0.00 2.45 2.38 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 0.00 709 G 5.95 3.62 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 0.00 797 A 8.07 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 798 S 8.15 4.25 0.00 4.10 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 0.00 799 D 8.33 4.71 0.00 3.42 3.23 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 0.00 800 V 7.73 3.37 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 0.65 0.00 0.00 -0.10 0.00 0.00 801 W 8.33 4.65 0.00 3.74 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 S 8.56 4.87 0.00 4.48 4.53 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 0.00 803 F 8.99 4.38 0.00 3.55 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 G 8.26 3.13 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 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0.00 3.25 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 0.00 814 G 8.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 815 E 7.24 3.93 0.00 1.69 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 816 R 8.86 3.97 0.00 2.00 1.95 0.00 3.38 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 817 P 0.00 3.50 0.00 1.34 1.23 0.00 3.74 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 1.49 2.14 0.00 818 Y 6.37 2.50 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 819 W 6.44 3.50 0.00 3.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 820 E 9.09 4.69 0.00 2.03 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 2.32 2.47 0.00 821 L 7.86 4.09 0.00 1.82 1.56 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 822 S 9.30 4.49 0.00 3.95 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 0.00 823 N 8.48 4.21 0.00 2.75 2.88 0.00 0.00 6.53 8.16 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 0.00 824 H 8.28 4.10 0.00 3.33 3.57 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 825 E 7.89 3.80 0.00 2.17 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 2.16 1.94 0.00 826 V 7.52 3.14 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 0.22 0.00 0.00 0.66 0.00 0.00 827 M 7.83 3.85 0.00 2.00 2.12 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 2.49 2.41 0.00 828 K 8.07 3.78 0.00 1.81 1.91 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 829 A 8.08 3.98 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 0.00 830 I 7.91 3.68 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.81 0.00 0.00 831 N 8.11 4.33 0.00 2.78 2.85 0.00 0.00 7.16 8.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 832 D 8.03 4.70 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 G 8.61 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 F 8.74 4.40 0.00 2.92 3.02 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 0.00 835 R 7.35 4.21 0.00 1.64 1.61 0.00 3.13 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 836 L 6.96 3.46 0.00 0.68 0.40 -1.06 -0.85 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 0.00 837 P 0.00 4.82 0.00 2.28 2.19 0.00 3.68 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 838 T 7.56 3.25 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 0.88 0.00 0.00 839 P 0.00 4.35 0.00 2.05 1.59 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 840 M 8.32 4.04 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 841 D 8.72 4.42 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 C 7.63 4.30 0.00 2.82 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 0.00 843 P 0.00 4.39 0.00 2.20 2.11 0.00 3.64 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 2.11 2.33 0.00 844 S 8.37 4.21 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 0.00 845 A 7.96 3.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 846 I 7.65 3.60 2.05 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 1.52 0.76 0.88 0.00 0.00 847 Y 8.14 4.16 0.00 2.96 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 0.00 848 Q 8.75 3.78 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 849 L 7.81 3.75 0.00 1.83 1.76 0.85 0.64 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 0.00 850 M 7.75 3.12 0.00 1.35 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.07 0.00 851 M 7.30 3.83 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.70 0.00 852 Q 7.64 3.88 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 853 C 7.62 4.14 0.00 2.50 3.02 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 0.00 854 W 7.31 3.87 0.00 3.12 2.39 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 0.00 0.00 0.00 0.00 855 Q 7.72 4.13 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 856 Q 9.05 4.17 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 857 E 8.19 4.13 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 858 R 8.83 3.99 0.00 2.05 2.26 0.00 2.99 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 859 A 8.00 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 R 7.83 4.36 0.00 2.00 2.21 0.00 3.37 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 861 R 7.32 4.58 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 862 P 0.00 4.36 0.00 1.91 1.90 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 863 K 8.75 4.17 0.00 2.03 1.71 0.00 1.52 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 864 F 8.59 4.00 0.00 3.12 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 0.00 865 A 8.01 4.05 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 0.00 866 D 7.94 4.38 0.00 2.75 2.70 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 0.00 867 I 7.83 3.66 1.93 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.81 0.00 0.00 868 V 7.90 3.59 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 1.17 0.00 0.00 0.95 0.00 0.00 869 S 7.84 4.10 0.00 4.05 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 0.00 870 I 8.23 3.86 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.97 0.00 0.00 871 L 8.36 4.07 0.00 1.92 1.73 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 872 D 8.37 4.38 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 873 K 8.17 4.00 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 874 L 7.39 4.25 0.00 1.57 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 875 I 7.72 3.84 2.09 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 1.53 0.51 0.91 0.00 0.00 876 R 8.17 4.36 0.00 1.99 1.98 0.00 3.15 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 877 A 7.35 4.73 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 0.00 878 P 0.00 4.22 0.00 2.19 2.16 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 879 D 8.20 4.41 0.00 2.74 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 0.00 880 S 8.51 4.28 0.00 3.98 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 0.00 881 L 7.53 4.66 0.00 1.85 1.71 0.93 0.61 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 0.00 882 K 7.90 4.19 0.00 1.66 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.51 7.81 883 T 7.74 4.13 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 * Residues marked with a * may have inaccurate shift predictions.