NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 583 I 4.5112 8.0131 118.5529 59.8741 38.5583 173.4664 584 G 4.1161 9.4723 109.7988 44.8744 0.0000 173.4126 585 A 3.8365 9.6470 127.7945 54.5682 19.9697 177.9232 586 L 3.8993 9.0351 119.6612 58.6146 42.0671 179.0085 587 E 3.9512 8.2001 118.4348 59.1629 29.5038 178.4404 588 D 4.3985 7.6378 118.8424 57.4309 40.8909 178.7205 589 I 3.8388 8.0077 120.3988 64.2767 37.1823 178.5766 590 R 3.9919 8.2766 119.1566 59.5442 29.8698 178.8099 591 E 4.1015 7.9086 120.2541 58.6956 29.3955 178.4830 592 E 4.1442 8.0143 117.3612 58.4393 29.8569 178.5732 593 L 3.8950 7.7878 121.2897 57.8969 41.8264 178.6746 594 T 3.7947 7.6902 108.7097 65.0964 68.6476 175.2744 595 M 4.5130 7.7004 118.5679 55.2214 31.7614 176.5263 596 A 4.5163 7.3433 119.7642 51.3149 20.7966 177.2774 597 I 4.3540 7.8122 115.7247 60.7192 39.5401 176.7961 598 L 4.4437 7.4972 121.1502 57.7737 42.4314 182.8412 599 A 4.1805 8.5747 121.6670 54.6827 18.1398 178.0582 600 P 3.3548 0.0000 0.0000 65.5332 30.9338 178.8637 601 V 3.5182 7.2961 116.6598 65.7967 31.7297 177.6438 602 R 4.0949 8.1052 117.5117 58.0829 31.4461 176.2395 603 N 5.0739 8.3229 115.6541 50.2883 39.1835 173.0509 604 P 4.4421 0.0000 0.0000 65.3832 31.9371 178.5456 605 D 4.4759 8.2009 120.7273 57.5876 40.7865 179.2664 606 Q 4.0088 8.0082 120.8267 60.0765 27.7881 180.2842 607 F 4.2477 8.4461 123.2579 61.2671 39.3437 177.3998 608 K 4.1801 8.4868 117.0450 58.6337 31.6171 179.2320 609 A 4.1581 7.6307 120.8120 54.7219 18.4986 178.7879 610 L 4.2241 7.5302 114.3057 54.7816 41.7673 177.9500 611 G 3.8565 7.4242 105.6705 45.7263 0.0000 174.1023 612 L 3.8569 6.9179 118.4800 54.1790 41.9181 177.0448 613 V 4.5013 7.8822 121.4334 60.9717 34.0710 175.0396 614 T 4.1162 8.9104 118.3645 61.1563 69.0851 172.4122 615 P 4.6812 0.0000 0.0000 62.0759 32.8209 175.9019 616 A 4.2314 9.1104 122.5728 55.4126 18.9641 176.9195 617 G 3.8201 7.4786 99.5445 45.9651 0.0000 172.7996 618 V 4.7839 7.6056 112.4507 59.4360 36.5798 174.4546 619 L 4.8503 8.4865 124.4535 53.3433 44.4962 174.9845 620 L 5.1035 9.1571 127.3927 53.5136 43.4774 175.5227 621 A 5.5266 9.6022 125.6727 47.9304 22.5082 175.5414 622 G 4.6557 8.6281 109.9852 43.5946 0.0000 170.2240 623 P 4.5618 0.0000 0.0000 61.7460 31.9030 174.8809 624 P 4.4969 0.0000 0.0000 63.9026 32.0023 177.0906 625 G 3.9565 8.9880 109.0510 45.8013 0.0000 174.4907 626 C 4.3089 7.4060 116.1022 60.2550 28.6414 174.4112 627 G 3.9841 8.2586 108.4443 45.6826 0.0000 175.8668 628 K 3.9676 8.5194 120.3306 59.6726 32.0823 178.8544 629 T 3.1360 7.7894 115.0490 66.5032 68.4154 176.6469 630 L 3.8438 7.6849 120.3038 57.7536 41.6817 179.4672 631 L 4.0193 8.2867 118.9776 57.3783 41.5586 179.3908 632 A 4.1841 8.0674 123.0344 55.8630 18.4245 180.5528 633 K 3.4512 7.8867 121.9639 59.2969 31.6428 181.1306 634 A 4.1779 7.8836 122.5842 54.7205 18.1742 179.9765 635 V 3.6857 7.8339 116.5973 66.0266 31.6476 178.0357 636 A 4.1061 7.9032 120.0531 55.4733 18.2571 179.0577 637 N 4.2547 8.1313 115.1600 56.4739 38.4643 177.3936 638 E 4.1497 8.0800 117.9953 59.1332 29.6524 178.0452 639 S 4.4128 7.7879 113.4738 57.9115 63.2823 174.2066 640 G 3.8640 8.2691 108.8596 46.6044 0.0000 173.6572 641 L 4.8285 8.1942 118.6420 52.8073 43.9687 176.3253 642 N 4.7982 8.9052 120.4809 53.3487 40.8297 173.5383 643 F 5.2027 8.5381 123.3800 56.4266 42.5484 173.2627 644 I 4.4088 8.4859 128.9921 59.8916 40.4011 175.0937 645 S 5.0138 8.5384 127.1580 57.4415 64.8779 170.4107 646 V 4.3148 8.2473 119.9428 61.9204 34.8443 173.8234 647 K 4.5616 8.7671 127.6030 55.4297 33.3471 177.4466 648 G 3.9041 9.3706 114.9093 47.0344 0.0000 174.0253 649 P 4.4843 0.0000 0.0000 65.6143 31.2952 178.8599 650 E 4.0335 8.1271 117.1848 60.6110 29.8099 182.0246 651 L 4.3918 7.5283 117.9243 56.2915 42.5186 176.4872 652 L 4.3647 7.3478 118.3049 55.3622 42.1671 178.1813 653 N 4.2398 8.1897 117.2428 55.5129 36.5449 174.6551 654 M 4.4666 7.8980 122.1345 52.5234 33.6694 174.0674 655 Y 4.0977 8.5985 124.6270 59.7493 37.1028 175.1443 656 V 4.0832 8.8938 128.4029 62.9210 32.9654 174.1936 657 G 3.9583 7.8443 103.8591 47.7099 0.0000 175.6888 658 E 4.3187 9.6419 130.1414 60.1282 29.9563 180.2936 659 S 4.3844 7.8202 119.7746 65.0947 62.4900 182.4311 660 E 4.2633 7.7899 125.2238 61.5674 29.4206 182.0332 661 R 4.1902 7.9904 120.8452 61.0691 29.4576 180.8225 662 A 4.1567 8.1736 121.3728 55.0968 18.5676 179.4401 663 V 3.7483 8.0096 117.1084 66.7811 31.4604 178.1706 664 R 4.3791 8.2273 121.6934 59.5660 29.7462 179.1740 665 Q 4.0886 8.1455 120.5804 60.0221 28.2310 181.2032 666 V 3.6066 8.2573 120.7850 65.9007 31.5268 178.2571 667 F 4.0314 8.3986 117.2004 60.2931 38.8314 177.5310 668 Q 4.0477 8.1798 121.4193 59.9133 28.9313 178.9492 669 R 3.9364 8.7033 122.2153 61.5997 29.1516 180.3637 670 A 4.1789 7.7104 120.4553 54.8381 18.0916 179.6903 671 K 4.1098 7.9745 116.5759 59.7742 31.9687 179.4387 672 N 4.4857 8.0477 115.5897 55.1005 38.4654 175.9104 673 S 4.7407 7.5470 113.5188 57.5658 63.6358 174.1985 674 A 4.2352 7.4134 123.2920 52.2768 18.8479 176.4399 675 P 5.1916 0.0000 0.0000 62.5247 32.8597 174.8994 676 C 5.2552 8.6645 122.8981 57.5401 35.9316 172.1759 677 V 4.7104 8.4802 123.5566 61.1448 33.9621 174.1821 678 I 4.1924 8.1216 129.0666 59.2915 38.9103 173.5999 679 F 4.4549 8.4381 133.5881 57.4374 40.7033 174.4368 680 F 4.9834 8.5533 126.5655 55.6527 39.4614 173.7352 681 D 4.7800 9.3693 124.4525 54.3853 42.1711 175.5603 682 E 4.0416 8.8415 124.6511 57.4919 26.8411 176.0506 683 V 3.6144 8.2467 120.1924 64.2860 32.4812 177.3629 684 D 4.4026 7.9415 119.2288 53.6597 39.8241 177.6203 685 A 4.0064 8.4642 120.1852 53.3623 17.7986 178.5542 686 L 4.2170 8.2402 116.8538 56.9005 43.0939 176.7467 687 C 4.8879 7.6803 115.5631 57.5629 28.2477 172.5977 688 P 4.0860 0.0000 0.0000 65.0089 32.0077 177.7492 *698 S 4.2115 7.7394 113.0929 57.4759 63.0196 174.2823 699 V 3.6492 8.4561 125.9481 62.9551 31.9053 176.6367 700 R 4.7977 7.4609 115.2745 56.4363 30.9112 178.8077 701 V 3.6843 7.3461 112.3044 63.6692 31.3816 178.8114 702 V 3.5401 7.6537 119.0741 64.8260 31.2496 178.0314 703 N 4.2674 8.0182 116.9112 56.0298 38.4976 177.0737 704 Q 3.8723 8.2165 120.9379 58.8181 29.0838 178.0444 705 L 3.8407 8.0027 121.8713 57.9741 42.0689 178.9259 706 L 3.9586 8.3490 119.3738 57.8318 41.4746 179.4152 707 T 3.7666 8.4425 116.4703 66.9529 68.3357 176.5550 708 E 3.6952 7.8449 120.0850 59.2662 29.0569 179.4940 709 M 4.2026 7.8463 118.9393 58.5104 31.8687 178.5422 710 D 4.4856 8.3198 118.5376 57.0097 41.0664 178.6346 711 G 3.6672 8.2666 105.3870 45.7177 0.0000 173.8204 712 L 4.5628 7.2419 124.0371 54.9431 42.5926 176.6778 713 E 4.8392 9.0578 117.4000 53.5403 33.8951 175.7912 714 A 4.0103 8.5342 121.5717 55.8338 18.8299 180.0857 715 R 3.8560 8.1484 115.0785 59.7363 30.0329 177.7428 716 Q 4.0406 7.7413 114.9440 56.9991 29.3659 176.0611 717 Q 3.3116 7.8684 117.2694 57.2098 26.8778 173.5535 718 V 4.9364 7.6178 114.9433 61.0578 34.8245 174.8378 719 F 5.3761 8.8419 129.2749 56.4905 42.1909 174.1898 720 I 4.5187 8.3954 127.0324 61.1168 38.8433 175.5769 721 M 4.6459 8.1374 123.6588 54.1652 35.6000 173.7948 722 A 4.8879 8.6588 125.8335 49.9096 22.4437 175.0080 723 A 5.1370 8.2553 120.5496 50.6384 22.7883 175.2628 724 T 4.9704 8.8917 116.9901 61.9962 71.2104 174.4250 725 N 5.3981 8.6541 119.5547 51.5237 39.2243 176.7068 726 R 4.6598 8.0652 117.6371 54.9787 30.8686 173.2043 727 P 4.3263 0.0000 0.0000 64.8519 31.8787 178.7564 728 D 4.5312 8.1422 116.9414 54.9775 39.5036 176.6682 729 I 4.1915 7.2860 120.0966 62.0508 38.2644 176.2593 730 I 4.1016 7.1302 113.3764 59.8723 38.1906 175.2022 731 D 4.3272 8.3389 121.3220 53.8129 40.6022 175.2319 732 P 4.4830 0.0000 0.0000 64.1490 31.1701 178.0260 733 A 3.9756 7.7607 120.9821 55.4067 18.4065 179.5452 734 I 3.8144 7.5635 110.7483 62.8836 37.7353 177.2713 735 L 4.4980 7.5041 121.6747 54.9569 42.5699 177.3534 736 R 4.2401 7.0522 117.9784 55.2800 29.9581 179.7181 737 P 4.5804 0.0000 0.0000 64.5202 32.0676 175.9846 738 G 4.2561 10.1245 110.0223 45.4085 0.0000 174.4550 739 R 4.6490 7.4097 114.4365 56.3163 29.1841 178.5247 740 L 5.0241 8.6699 126.6509 54.9201 40.7119 176.7454 741 D 5.0530 7.9236 118.4652 54.9441 40.3295 176.5643 742 K 4.4941 7.9618 121.7688 54.9245 33.9566 175.1701 743 T 4.7647 8.4400 124.3771 62.3840 70.0682 174.1236 744 L 4.7232 9.1680 126.7294 52.8765 44.9902 175.4398 745 F 5.0139 8.8960 122.7805 56.5762 40.0618 175.2408 746 V 4.2215 9.4118 125.0552 61.1634 32.7317 173.6174 747 G 4.6102 8.5088 120.5896 44.9424 0.0000 172.5858 748 L 4.1061 8.5798 124.9224 53.7444 42.0159 175.0128 749 P 4.3356 0.0000 0.0000 62.0057 31.7182 174.6832 750 P 4.5808 0.0000 0.0000 60.9663 32.2899 175.2000 751 P 4.2445 0.0000 0.0000 66.4520 30.4954 178.4122 752 A 4.0075 7.9324 119.8206 55.1009 18.4131 179.2003 753 D 4.3956 8.0102 117.3627 57.2341 40.7210 179.3170 754 R 3.9639 7.9050 118.5247 59.1116 30.2109 178.5016 755 L 3.9170 7.7730 119.9539 58.0237 42.2118 178.8721 756 A 4.0042 7.8512 120.5593 55.2239 18.3274 179.7045 757 I 3.7376 7.9059 118.3231 64.5665 37.1858 178.7656 758 L 4.0666 8.2494 120.0983 57.6174 41.4505 179.4539 759 K 4.1578 8.6609 118.1829 58.5454 31.4693 178.9604 760 T 4.0922 7.2333 115.0842 65.2900 68.9850 176.9521 761 I 3.6663 7.5727 120.5649 64.7041 37.3414 177.6185 762 T 4.2659 8.1387 110.4726 61.6895 69.1163 175.1752 763 K 3.8580 8.2266 122.4196 55.9209 28.7187 179.9561 764 N 4.0981 8.6406 111.7866 55.1840 36.0053 175.7280 765 G 4.0001 8.3183 101.4280 46.7531 0.0000 174.8121 766 T 4.3571 7.3828 109.2750 61.8244 70.5509 174.4712 767 K 4.6509 8.3927 123.9013 54.0103 33.2142 173.2975 768 P 4.5436 0.0000 0.0000 61.3116 32.9108 174.6077 769 P 5.1438 0.0000 0.0000 62.2535 32.3489 175.1417 770 L 5.2193 8.5085 124.7249 53.2109 43.8737 176.1750 771 D 4.7667 8.5533 122.0266 52.2337 40.9911 177.2634 772 A 4.0568 8.7190 121.9130 55.1793 18.3989 178.8262 773 D 4.3610 8.0041 113.9653 55.3335 39.8277 176.4429 774 V 3.7495 7.5281 120.5297 61.9709 31.5908 174.8140 775 N 4.7838 8.3347 126.6897 51.3138 39.5890 174.4247 776 L 3.9351 8.5194 129.6571 58.4429 41.8248 179.9002 777 E 3.9938 8.1568 117.5248 60.7854 29.4185 181.9774 778 A 4.3748 7.7287 119.6033 54.8812 18.8438 179.5468 779 I 3.8564 7.4750 117.8244 64.5620 37.0937 178.3822 780 A 4.0167 8.3147 121.9902 54.5587 18.3128 178.3153 781 G 3.8616 7.4049 101.4428 45.3268 0.0000 173.5875 782 D 4.4053 7.5871 120.2900 54.1853 42.1875 177.3813 783 L 3.9711 8.1887 123.4622 57.9648 41.6346 180.1595 784 R 4.0224 7.7147 112.4489 58.3546 29.5319 176.9177 785 C 3.3132 7.3293 115.2138 60.5119 28.5237 175.1867 786 D 4.4363 7.8188 119.5438 56.3935 40.4796 176.8032 787 C 4.5779 7.8861 111.6417 58.2629 30.7434 173.6899 788 Y 4.4586 7.5978 119.5364 58.6397 37.9373 176.7717 789 T 4.5738 9.1348 115.6539 60.4762 72.1329 176.1782 790 G 3.5854 8.4844 106.2497 47.7847 0.0000 175.6750 791 A 3.9549 8.1361 123.1367 55.1258 18.3634 179.5161 792 D 4.0710 7.6703 117.2146 57.1392 40.8328 178.9648 793 L 4.1116 7.6252 119.7553 57.8986 41.7820 179.4749 794 S 4.0569 8.2822 112.9906 61.3555 62.2425 176.0921 795 A 3.9782 8.2641 123.8811 54.5428 18.0770 179.3660 796 L 3.7095 8.1301 119.5856 58.2790 42.1119 179.4636 797 V 3.2868 7.5706 117.7033 65.8115 31.4251 177.6476 798 R 3.7624 7.6467 117.9381 59.6083 29.8242 177.9745 799 E 3.8197 8.3614 118.2161 59.5186 29.5287 179.4065 800 A 3.8684 7.5852 120.3672 55.2650 18.2414 179.9018 801 S 3.9588 8.1145 113.9545 61.6731 62.8168 176.9922 802 I 3.6267 8.3562 122.9958 64.3887 36.7750 178.1890 803 C 4.0027 8.1856 117.4831 62.8592 28.1020 175.9525 804 A 3.7107 7.6020 122.1515 55.1422 17.3601 179.4409 805 L 4.0958 8.2473 121.2700 58.5973 41.9259 179.9747 806 R 4.0297 8.2904 122.9783 62.0041 29.4183 181.8831 807 Q 4.3559 7.9740 120.6743 60.0568 28.2198 179.6439 808 E 4.3215 7.5336 119.0593 59.2450 29.5988 177.6488 809 M 4.2646 7.2903 115.1287 55.5889 31.7407 175.6371 *821 L 4.0860 7.7296 119.5799 54.8569 43.0656 175.7342 822 K 4.9516 8.4221 123.2551 54.6237 36.3617 175.4008 823 V 4.3683 8.6353 122.3769 61.6047 33.1338 175.3938 824 S 5.8366 8.7517 122.5495 56.8033 64.1756 174.2990 825 H 4.4270 9.5996 124.6628 59.6681 29.3788 178.0862 826 K 4.0033 8.3401 125.9547 60.0908 31.3974 181.8876 827 H 4.4429 8.0238 116.9911 58.9123 28.8652 177.8629 828 F 3.9724 8.1361 119.6632 60.2733 38.4427 177.4482 829 E 4.1572 8.4410 118.6560 59.5698 29.7408 178.5685 830 E 4.1633 8.5813 118.4542 59.1264 29.3819 179.1996 831 A 4.0627 8.3194 121.5270 55.0869 18.5406 179.6108 832 F 4.2635 8.4248 118.5410 61.2278 38.7996 178.1300 833 K 4.4438 7.8383 119.7274 57.9049 31.7315 180.0046 834 K 4.6475 7.8239 115.3363 56.7027 33.2290 177.1490 835 V 3.7386 7.5533 121.1058 63.5734 29.8153 176.8897 836 R 4.6902 7.8326 130.1658 55.0355 30.4436 175.0605 837 S 4.2624 7.7795 113.8708 58.7158 63.1301 174.0617 838 S 4.2811 8.7449 124.1836 60.6245 62.8102 175.1190 839 I 4.1624 7.3042 124.1316 59.8813 36.1490 180.4171 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 583 I 8.01 4.51 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 1.35 1.21 0.91 0.00 0.00 584 G 9.47 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 0.00 585 A 9.65 3.84 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 0.00 586 L 9.04 3.90 0.00 1.81 1.98 0.94 1.07 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 0.00 587 E 8.20 3.95 0.00 2.14 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 2.40 2.49 0.00 588 D 7.64 4.40 0.00 2.79 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 0.00 589 I 8.01 3.84 1.94 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 1.59 0.98 1.02 0.00 0.00 590 R 8.28 3.99 0.00 2.13 2.02 0.00 3.15 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 591 E 7.91 4.10 0.00 2.15 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 2.23 0.00 592 E 8.01 4.14 0.00 2.16 2.33 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 2.57 2.57 0.00 593 L 7.79 3.90 0.00 1.99 1.85 1.24 0.72 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 0.00 594 T 7.69 3.79 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 1.29 0.00 0.00 595 M 7.70 4.51 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.81 0.00 596 A 7.34 4.52 0.53 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 0.00 0.00 597 I 7.81 4.35 1.83 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 1.12 0.64 0.87 0.00 0.00 598 L 7.50 4.44 0.00 1.62 1.60 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 599 A 8.57 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 P 0.00 3.35 0.00 1.66 0.49 0.00 3.42 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 601 V 7.30 3.52 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 0.80 0.00 0.00 0.87 0.00 0.00 602 R 8.11 4.09 0.00 1.95 1.92 0.00 3.24 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 603 N 8.32 5.07 0.00 2.77 2.71 0.00 0.00 6.71 8.37 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 0.00 604 P 0.00 4.44 0.00 2.27 2.35 0.00 3.86 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 2.07 1.90 0.00 605 D 8.20 4.48 0.00 2.81 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 0.00 606 Q 8.01 4.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 607 F 8.45 4.25 0.00 3.21 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 0.00 608 K 8.49 4.18 0.00 2.02 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.72 7.81 609 A 7.63 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 L 7.53 4.22 0.00 1.45 1.62 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 611 G 7.42 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 0.00 612 L 6.92 3.86 0.00 0.37 0.26 0.48 0.53 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 0.00 613 V 7.88 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 614 T 8.91 4.12 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 0.00 615 P 0.00 4.68 0.00 2.60 2.46 0.00 3.90 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 2.26 2.09 0.00 616 A 9.11 4.23 1.47 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 0.00 617 G 7.48 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 0.00 618 V 7.61 4.78 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 0.81 0.00 0.00 0.74 0.00 0.00 619 L 8.49 4.85 0.00 1.63 1.36 0.82 0.49 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 0.00 620 L 9.16 5.10 0.00 1.66 1.60 1.12 -0.01 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 0.00 621 A 9.60 5.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 G 8.63 4.66 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 0.00 623 P 0.00 4.56 0.00 2.22 2.02 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 624 P 0.00 4.50 0.00 2.05 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 625 G 8.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 C 7.41 4.31 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 G 8.26 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 0.00 628 K 8.52 3.97 0.00 1.97 2.14 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.62 7.81 629 T 7.79 3.14 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 0.78 0.00 0.00 630 L 7.68 3.84 0.00 1.63 1.64 0.88 0.56 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 0.00 631 L 8.29 4.02 0.00 1.77 1.75 0.96 1.20 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 0.00 632 A 8.07 4.18 1.70 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 0.00 633 K 7.89 3.45 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 634 A 7.88 4.18 1.39 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 0.00 0.00 635 V 7.83 3.69 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.07 0.00 0.00 636 A 7.90 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.25 0.00 2.98 2.84 0.00 0.00 6.81 7.69 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 0.00 638 E 8.08 4.15 0.00 2.10 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 2.61 2.40 0.00 639 S 7.79 4.41 0.00 3.97 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 0.00 640 G 8.27 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 0.00 641 L 8.19 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0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 650 E 8.13 4.03 0.00 2.09 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 2.23 1.93 0.00 651 L 7.53 4.39 0.00 1.81 1.73 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 652 L 7.35 4.36 0.00 1.65 1.25 1.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 653 N 8.19 4.24 0.00 2.76 2.90 0.00 0.00 6.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 M 7.90 4.47 0.00 2.18 1.93 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 2.52 2.53 0.00 655 Y 8.60 4.10 0.00 2.99 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 0.00 656 V 8.89 4.08 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 0.95 0.00 0.00 0.98 0.00 0.00 657 G 7.84 3.96 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 2.29 2.23 0.00 666 V 8.26 3.61 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 0.67 0.00 0.00 0.99 0.00 0.00 667 F 8.40 4.03 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 Q 8.18 4.05 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 669 R 8.70 3.94 0.00 1.81 1.94 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 670 A 7.71 4.18 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 0.00 671 K 7.97 4.11 0.00 2.02 1.89 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.54 7.81 672 N 8.05 4.49 0.00 2.84 2.89 0.00 0.00 6.94 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 0.00 673 S 7.55 4.74 0.00 3.94 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 0.00 674 A 7.41 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4.41 0.00 2.92 2.47 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 0.00 783 L 8.19 3.97 0.00 1.57 1.60 0.86 1.20 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 0.00 784 R 7.71 4.02 0.00 1.93 2.00 0.00 2.90 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 785 C 7.33 3.31 0.00 3.15 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 0.00 786 D 7.82 4.44 0.00 2.82 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 0.00 787 C 7.89 4.58 0.00 3.16 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 0.00 788 Y 7.60 4.46 0.00 3.10 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 T 9.13 4.57 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 790 G 8.48 3.59 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 0.00 0.00 0.00 791 A 8.14 3.95 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 0.00 792 D 7.67 4.07 0.00 1.72 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 L 7.63 4.11 0.00 1.88 1.77 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 794 S 8.28 4.06 0.00 3.90 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 0.00 795 A 8.26 3.98 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 0.00 796 L 8.13 3.71 0.00 1.92 1.90 0.15 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 797 V 7.57 3.29 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 1.00 0.00 0.00 1.10 0.00 0.00 798 R 7.65 3.76 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 799 E 8.36 3.82 0.00 1.95 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 2.40 2.55 0.00 800 A 7.59 3.87 0.56 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 0.00 0.00 801 S 8.11 3.96 0.00 3.92 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 0.00 802 I 8.36 3.63 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 0.86 0.00 0.00 803 C 8.19 4.00 0.00 3.04 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 0.00 804 A 7.60 3.71 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 0.00 805 L 8.25 4.10 0.00 1.71 1.74 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 806 R 8.29 4.03 0.00 1.92 1.83 0.00 3.33 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 807 Q 7.97 4.36 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 808 E 7.53 4.32 0.00 1.98 2.18 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 2.31 2.40 0.00 809 M 7.29 4.26 0.00 2.08 2.18 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 2.71 2.46 0.00 *821 L 7.73 4.09 0.00 1.60 1.60 0.97 0.58 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 0.00 822 K 8.42 4.95 0.00 1.66 1.70 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.41 7.81 823 V 8.64 4.37 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 0.88 0.00 0.00 0.87 0.00 0.00 824 S 8.75 5.84 0.00 4.08 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 0.00 825 H 9.60 4.43 0.00 3.39 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 K 8.34 4.00 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 827 H 8.02 4.44 0.00 3.33 3.41 0.00 5.61 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 0.00 828 F 8.14 3.97 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 E 8.44 4.16 0.00 2.12 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 0.00 2.36 2.44 0.00 830 E 8.58 4.16 0.00 2.17 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 2.65 2.50 0.00 831 A 8.32 4.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 832 F 8.42 4.26 0.00 3.37 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 0.00 833 K 7.84 4.44 0.00 1.90 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 834 K 7.82 4.65 0.00 1.77 1.91 0.00 1.86 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.33 7.81 835 V 7.55 3.74 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 0.47 0.00 0.00 0.94 0.00 0.00 836 R 7.83 4.69 0.00 1.83 1.73 0.00 3.32 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 837 S 7.78 4.26 0.00 3.70 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 0.00 838 S 8.74 4.28 0.00 3.88 3.88 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 0.00 839 I 7.30 4.16 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 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.