NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 606 F 4.4765 8.3201 119.4645 57.4715 40.4334 173.3219 607 A 4.5572 8.2166 123.5478 51.3325 21.4098 175.0139 608 K 4.0075 8.9816 118.9331 56.3031 30.4937 174.0078 609 E 4.4105 8.1287 120.0102 57.0272 29.8326 175.9948 610 I 4.7993 8.7404 126.5502 58.9627 41.6440 174.1809 611 D 4.5996 8.9956 128.5685 53.9889 41.8631 177.5269 612 V 3.7296 8.6039 125.3204 64.3008 31.6651 178.3165 613 S 4.0366 7.6183 114.3683 60.9818 62.9480 174.5416 614 Y 4.6033 7.6807 117.8527 58.0393 37.7445 174.2286 615 V 4.7263 7.6838 121.1615 60.9269 33.5951 174.7208 616 K 4.4687 8.8908 130.1578 54.6862 33.7690 174.9846 617 I 4.2630 8.3353 129.1712 60.9364 37.5378 175.5979 618 E 4.7857 8.7191 127.8852 56.0912 32.9992 175.3118 619 E 3.7621 8.7502 124.4701 56.4121 31.0646 177.1167 620 V 4.2032 8.4651 127.1965 62.9297 31.9194 175.3962 621 I 4.4494 8.5192 120.7236 60.6196 39.2017 174.8328 622 G 4.1307 7.4021 108.7444 46.1078 0.0000 171.7718 623 A 5.0532 8.7853 121.2926 50.0368 20.8824 176.4960 624 G 4.0820 9.5204 112.8875 43.4098 0.0000 174.0921 625 E 3.7091 8.9281 119.9051 58.9900 29.2746 177.7735 626 F 4.7193 9.7579 112.9575 56.2689 40.0474 176.7142 627 G 3.7159 6.6273 108.6979 45.3420 0.0000 172.3125 628 E 4.5437 8.3745 121.1037 55.9683 31.5142 175.8513 629 V 4.9634 8.4276 122.2449 61.4560 34.2136 174.2656 630 C 5.3773 9.4863 124.9299 57.8875 32.1265 173.1856 631 R 4.5181 8.7800 121.9922 56.3868 31.4501 176.2109 632 G 3.8492 8.1491 109.6067 46.3371 0.0000 172.1512 633 R 5.1964 8.7135 118.5170 54.2874 35.0864 174.4106 634 L 4.9658 9.2516 126.3362 54.1403 44.7390 176.0200 635 K 4.7238 8.9837 130.9812 53.3502 32.5586 171.4049 636 A 3.8009 8.0957 129.5304 49.4819 19.8039 175.4551 637 P 4.1535 0.0000 0.0000 63.8800 32.0452 175.9433 638 G 4.2203 8.9642 119.6293 46.3720 0.0000 174.9401 639 K 4.1923 7.2221 123.1284 53.6273 32.4539 179.8774 640 K 4.2417 8.2204 121.1449 54.4870 32.3514 177.6889 641 E 4.4314 8.6717 123.7821 56.1730 30.2957 175.9464 642 S 4.8706 9.1612 120.9936 56.6245 67.2157 171.9152 643 C 5.0150 8.4479 119.9455 58.1933 33.0761 172.5943 644 V 5.1367 8.6425 118.0923 59.5823 35.9906 174.3576 645 A 5.0835 8.9512 125.0680 51.2579 20.8966 176.5501 646 I 4.9268 9.2349 122.0682 59.5763 40.7087 174.6908 647 K 5.0878 9.1670 127.9069 55.3801 33.8372 176.0063 648 T 5.0090 8.5554 114.5974 60.1603 71.2673 173.9630 649 L 4.2239 7.9240 126.9121 53.8778 44.7779 175.4904 *654 T 4.2108 8.2667 106.1777 61.4784 70.0707 174.4607 655 E 4.0625 8.7853 124.1907 60.0721 29.3987 180.0876 656 R 3.9671 8.1574 120.3356 62.0756 29.2899 181.1597 657 Q 4.3648 7.9067 118.1172 58.5333 28.7122 178.9566 658 R 3.8993 8.2085 122.2401 60.2368 29.9711 179.3713 659 R 4.1198 8.4013 121.7288 62.0468 29.6379 180.9083 660 E 4.3286 8.3447 118.8678 60.9777 29.4923 180.6483 661 F 3.6612 8.0330 122.5193 61.2074 39.2534 177.2683 662 L 3.6628 7.9938 117.3158 56.5153 41.3435 179.3526 663 S 4.4671 8.2257 116.7816 60.8519 62.7980 176.2512 664 E 4.2935 7.9738 122.0674 58.6011 29.0368 179.1365 665 A 3.9701 7.7234 121.5516 54.8465 18.3941 179.5797 666 S 4.0729 7.9437 112.6433 61.5282 63.1080 176.9272 667 I 3.3965 7.9606 123.6771 64.3219 37.0599 178.1418 668 M 3.6313 8.2562 119.4446 58.2949 31.7582 178.3421 669 G 3.6026 7.8527 105.0626 47.3721 0.0000 175.2970 670 Q 3.8874 7.2312 119.3311 56.8779 29.0026 176.1599 671 F 5.2550 6.7075 117.5851 55.8389 40.7175 175.4028 672 E 4.3929 9.0753 125.0439 55.4751 31.3333 173.9816 673 H 4.4080 8.0198 124.1880 54.0985 32.5684 172.7570 674 P 4.2899 0.0000 0.0000 65.0251 31.3970 176.6390 675 N 5.1403 8.1373 115.3664 52.0363 38.9777 173.2980 676 I 4.9912 7.5144 118.8495 59.0519 40.1493 175.4954 677 I 3.9187 8.7581 127.9707 61.4733 38.7653 174.9774 678 R 4.3810 9.0024 129.7434 55.1016 31.6730 174.9053 679 L 4.4258 8.4700 128.7442 55.1883 41.8594 176.0680 680 E 4.2837 9.1082 127.1660 57.2552 30.5420 177.0568 681 G 4.1888 7.1425 107.0822 46.2060 0.0000 172.2881 682 V 4.9750 8.1709 113.3361 59.2161 36.4073 175.2039 683 V 4.8922 8.5980 123.0045 61.6743 33.3535 175.8271 684 T 4.5528 9.2029 116.6528 61.0798 69.9265 174.4835 685 N 4.6066 8.3033 118.5826 54.4609 39.1036 174.1066 686 S 4.6316 7.5436 111.0171 57.3791 66.2100 172.5000 687 M 4.6733 8.1635 119.5421 52.5817 33.9294 174.6158 688 P 4.4148 0.0000 0.0000 62.2979 32.5586 176.2151 689 V 4.0088 8.0191 119.9110 63.5331 32.8523 174.6307 690 M 5.5940 9.0635 125.1816 53.8412 37.0329 174.0456 691 I 4.7099 8.9028 121.7778 59.5451 40.7091 174.3703 692 L 5.2689 9.2119 127.9077 53.1627 43.9608 175.8080 693 T 5.2169 8.7028 114.1367 59.0882 72.2311 173.3247 694 E 4.3010 8.5611 121.2348 57.1691 30.0063 176.3824 695 F 4.5108 8.8137 126.2145 58.1386 40.3245 174.5020 696 M 4.2277 7.6851 125.6316 53.3328 32.7079 176.6335 697 E 3.6761 8.4146 124.4851 58.6724 29.8534 177.7836 698 N 4.5740 7.8946 114.0646 51.9619 39.8022 177.2474 699 G 3.5668 7.3338 107.4143 46.4886 0.0000 173.1440 700 A 4.6893 8.2822 123.5162 51.3415 20.5293 177.9335 701 L 4.0513 8.8563 126.4811 58.1932 42.1395 179.4422 702 D 4.4464 8.1352 118.8360 56.7216 39.4874 178.6595 703 S 4.2342 8.1253 115.8368 60.7275 62.9630 175.8309 704 F 4.3208 8.3233 123.5871 61.3191 39.4519 176.8603 705 L 4.2422 8.4294 118.6496 57.7004 41.2030 179.5194 706 R 4.0667 7.9695 117.3962 59.3256 30.1147 178.5664 707 L 4.0986 7.9664 118.8300 56.9554 42.2948 176.9350 708 N 4.7741 7.7187 116.6131 52.1480 39.3076 173.6857 709 D 3.6751 7.9634 118.1240 55.4802 41.4272 176.3420 710 G 3.3206 5.3800 113.6758 45.6792 0.0000 173.4545 711 Q 4.2389 7.2809 116.9546 55.3233 29.6227 175.4247 712 F 5.3456 7.8345 116.7917 55.6092 41.6421 176.0888 713 T 4.2851 8.8670 114.9386 61.3173 70.7059 175.9413 714 V 3.6121 8.3731 120.9562 66.3997 31.4905 178.1689 715 I 3.6968 7.7788 118.9126 64.5195 36.9674 178.2783 716 Q 3.9883 8.1262 118.8095 58.9287 28.4968 178.7913 717 L 3.9146 8.0074 120.0321 57.7447 41.6529 179.7490 718 V 3.6679 8.1250 118.5562 65.8576 31.4659 178.2148 719 G 3.6985 8.1904 105.5187 48.0495 0.0000 175.5594 720 M 4.0520 8.0155 120.9188 58.2771 31.9695 178.8973 721 L 4.1065 8.1116 119.2085 57.7629 41.7226 179.6211 722 R 4.0346 8.7863 119.3182 59.1310 30.0295 178.6699 723 G 3.6757 8.1811 105.6149 48.0872 0.0000 175.7103 724 I 3.7817 7.9741 122.4554 63.9401 37.0953 178.4945 725 A 3.7087 8.4400 121.8421 54.8575 18.1204 179.6726 726 S 4.0957 8.6250 112.3928 61.4077 62.5323 176.3619 727 G 3.5429 8.0265 108.4125 48.2982 0.0000 175.5092 728 M 3.7287 7.8460 121.1961 57.6537 31.7939 178.5685 729 R 3.8996 7.9788 119.3402 59.7167 30.1554 177.8548 730 Y 3.9860 7.9819 118.9332 60.6499 38.7183 178.0072 731 L 3.6443 7.8002 119.5789 57.7154 41.7753 179.3643 732 A 4.0223 8.3852 121.0503 55.2034 18.0924 179.2229 733 E 3.9294 8.0404 116.8281 59.3375 29.6541 177.9158 734 M 4.3324 7.4805 116.4393 54.0541 32.4145 176.1053 735 S 3.7420 7.7948 113.6426 59.8057 61.3564 171.5825 736 Y 4.6394 8.1829 119.8827 55.6820 40.3259 174.4529 737 V 4.3842 7.5206 126.5186 61.4282 33.4310 174.7373 738 H 4.3091 9.9479 127.7695 58.7334 29.9957 177.4600 739 R 4.0018 8.5886 115.9284 56.3167 29.5790 175.7814 740 D 4.7476 7.5556 116.3679 52.9921 41.3111 175.6578 741 L 3.9942 8.0839 120.7851 54.8135 42.8860 175.2039 742 A 4.6131 7.9920 126.9377 50.7178 22.1259 176.5302 743 A 4.1133 9.2331 123.4750 55.1134 18.5868 180.5620 744 R 4.4764 7.8326 110.3527 58.0414 29.8855 176.8371 745 N 4.8699 8.0270 115.7069 52.8744 40.0550 173.8523 746 I 4.8734 7.7633 120.6698 59.5244 40.0305 174.8053 747 L 5.1705 8.8731 126.0743 52.9779 45.2542 175.5307 748 V 4.7400 8.2278 120.5347 61.2803 34.9111 175.0521 749 N 5.2602 8.3697 125.8663 51.2761 39.8066 175.7339 750 S 4.1608 8.4513 112.3684 60.6444 63.0017 174.6012 751 N 4.6286 8.4475 118.5146 52.8355 38.2421 175.9667 752 L 3.8632 7.8651 116.4683 55.0295 39.9749 174.6686 753 V 3.6687 7.3411 120.0164 62.9998 31.6247 174.4085 754 C 5.1563 8.4818 124.4030 58.1578 30.7363 172.7349 755 K 4.8790 8.9446 122.1383 54.2374 35.7474 175.9654 756 V 3.8976 8.8126 125.8568 63.3998 32.6455 174.9475 757 S 4.8507 7.8649 121.6286 57.3956 65.8080 171.6556 758 D 4.2374 8.5311 116.4563 54.8858 38.1717 174.0080 759 F 4.6348 7.4803 121.3689 55.3972 38.5126 176.4607 *781 K 4.3247 7.9510 118.7474 55.5285 33.9174 175.7810 782 I 4.1720 7.7088 121.0125 59.8033 37.8007 175.0021 783 P 4.7261 0.0000 0.0000 62.7118 29.3652 176.6450 784 I 3.7036 8.5282 128.1594 65.1627 37.2992 178.6529 785 R 3.9233 8.0849 113.4873 57.5619 29.1853 176.8274 786 W 4.7730 8.6693 118.2377 56.9653 29.9929 175.4647 787 T 4.7562 7.7577 115.8735 61.4244 69.7907 175.1344 788 A 2.5800 8.1831 127.3055 50.7852 20.3268 176.5261 789 P 3.7935 0.0000 0.0000 65.7994 31.3490 179.0982 790 E 3.2927 7.6559 115.1493 58.8134 29.6541 178.8443 791 A 4.0878 7.3549 122.7365 54.2571 18.2365 179.4230 792 I 3.4438 7.2731 117.1088 64.3789 37.2679 178.2079 793 A 3.9342 7.6139 120.3707 54.7303 18.2757 178.9037 794 F 4.7642 7.6921 114.0285 56.4206 39.5580 176.0301 795 R 3.7828 7.5561 117.7760 57.0735 29.4143 175.6774 796 K 4.7246 7.1463 113.4692 54.2636 36.0183 175.8434 797 F 5.1574 8.7761 119.8007 55.6099 42.3456 174.8724 798 T 4.8679 9.0916 114.0627 59.3288 73.2813 175.3039 799 S 4.2998 8.7279 116.0750 61.6746 62.5712 176.8063 800 A 4.0534 8.1155 123.4238 54.8527 18.2280 179.5674 801 S 4.2982 8.1810 112.9360 61.5905 63.2750 176.4140 802 D 4.6476 8.7323 122.5732 57.1924 40.5853 178.3625 803 A 3.9019 8.4726 121.5309 54.9304 18.2646 179.2353 804 W 4.6753 8.1050 127.9878 60.4722 30.7559 178.0286 805 S 4.7982 8.6276 116.1693 61.4494 62.4145 176.2459 806 Y 4.2867 9.0090 122.4545 60.6909 38.5497 178.2926 807 G 3.4339 8.4688 106.6225 48.0142 0.0000 175.6484 808 I 4.0981 8.0057 121.9746 64.0721 37.0367 178.7350 809 V 3.9002 8.2801 119.4369 66.2964 31.3860 177.6270 810 M 3.7933 8.0071 118.8701 58.3645 31.8995 178.5718 811 W 4.0449 8.3227 127.9703 60.5476 30.9246 177.6921 812 E 4.0620 8.8588 118.8416 59.4482 28.8770 179.5784 813 V 3.3987 7.9898 118.3312 66.3301 31.4941 177.8498 814 M 3.9035 7.7212 115.6471 56.8474 31.5849 177.6978 815 S 4.3549 7.3574 114.7730 56.6649 63.7296 173.8673 816 F 3.4220 8.5865 119.6153 58.7434 36.6095 176.2277 817 G 3.9758 8.7740 103.8709 45.8582 0.0000 173.3256 818 E 4.1165 7.5371 119.1848 55.6445 30.4699 176.7115 819 R 4.2636 8.6211 125.1591 55.3436 30.8635 174.1381 820 P 3.4341 0.0000 0.0000 64.0638 32.0617 175.7673 821 Y 3.3838 6.8160 121.5565 64.7205 35.2408 174.7061 *822 W 4.2216 6.9093 119.4594 60.8452 29.8956 178.4621 823 D 4.9789 7.9435 115.1278 52.8479 39.4524 175.4211 824 M 4.5168 8.0164 120.0024 53.8269 33.9109 176.8033 825 S 4.3728 8.3778 117.2757 57.8416 65.4479 175.0177 826 N 4.1233 8.6574 119.9611 56.8224 38.1918 177.3081 827 Q 3.8935 7.9655 119.9910 59.3061 29.0926 177.7408 828 D 4.2322 7.8198 119.5324 57.3106 40.7010 179.1606 829 V 3.1356 7.4002 118.5407 65.8000 31.5081 178.1685 830 I 3.5054 7.5020 119.4778 64.3652 36.7990 177.9470 831 N 4.2106 8.2617 117.3148 56.4086 38.4139 177.2771 832 A 3.9208 7.9653 122.0300 55.3162 18.5619 179.8244 833 I 3.7911 7.9892 118.6667 64.4277 36.9017 178.3185 834 E 4.0408 8.1477 119.3909 58.6019 29.4221 177.7045 835 Q 4.4360 7.4436 116.5555 55.1791 28.9246 175.3620 836 D 4.5480 7.8004 117.5863 55.2915 38.9502 173.5072 837 Y 4.2645 8.0100 119.9969 57.7174 39.3031 175.3914 838 R 4.2934 7.1605 123.5967 53.5841 34.1709 175.2159 839 L 3.5687 7.2191 120.4798 54.0444 41.9525 175.7058 840 P 4.5973 0.0000 0.0000 60.8973 32.4711 174.0657 841 P 4.1644 0.0000 0.0000 62.0842 31.6906 174.7728 842 P 4.2942 0.0000 0.0000 61.3296 31.9436 173.8719 843 P 4.3269 0.0000 0.0000 64.7040 31.5176 176.2094 844 D 4.4567 8.7581 120.4108 55.1516 38.1699 172.7793 845 C 4.4265 7.7087 119.5896 57.3747 32.3541 172.4044 846 P 4.3740 0.0000 0.0000 63.0063 32.9060 177.4761 847 T 3.9327 8.5863 118.1082 66.8288 68.3371 177.0159 848 S 4.1237 7.9914 115.7468 61.4867 63.0316 176.5071 849 L 3.9612 7.7719 122.1632 57.6405 41.4353 178.7672 850 H 4.1349 8.0542 118.1280 59.1314 29.7489 177.0164 851 Q 3.7882 8.1299 121.4821 59.1098 28.8178 178.1808 852 L 3.9509 7.6606 120.9228 58.0704 42.1682 178.7491 853 M 3.1828 7.5428 118.7069 58.1796 31.5659 178.7593 854 L 3.8439 7.0815 117.2805 57.6717 41.8462 179.0802 855 D 4.4081 7.9727 119.0253 57.5853 40.6457 178.6298 856 C 4.1621 7.9195 116.8162 61.4754 27.6740 174.9366 857 W 4.1797 6.8223 118.9874 55.2529 29.8501 176.1658 858 Q 4.2651 7.3767 118.8848 55.5617 28.8539 176.3889 859 K 4.0742 9.0747 124.0818 59.5367 32.5692 176.4636 860 D 4.5842 8.1007 120.1199 53.4771 40.8857 176.7923 861 R 4.1727 8.6530 124.0437 58.8293 29.8741 178.4245 862 N 4.4039 8.4434 115.4858 55.5205 38.6547 175.9475 863 A 4.2532 7.7862 119.7385 53.4286 19.0494 178.0758 864 R 4.3266 7.3683 114.9091 54.9288 30.7358 174.9096 865 P 4.4300 0.0000 0.0000 62.5145 32.1154 177.2075 866 R 3.9961 8.7997 120.7567 55.8869 32.0109 178.1794 867 F 4.1485 8.4834 118.9349 60.1713 38.8888 176.1617 868 P 4.2856 0.0000 0.0000 65.8017 31.1369 178.5937 869 Q 4.0008 7.9935 116.3560 58.6630 28.6952 178.6472 870 V 3.5027 7.9290 119.5563 65.9829 31.5081 178.2286 871 V 3.5946 7.9120 117.9522 66.2079 31.3626 178.1022 872 S 4.1136 8.2240 114.6160 61.5439 62.5850 176.6336 873 A 3.9925 8.1489 123.4716 55.1026 18.1506 179.7213 874 L 3.9666 8.0213 117.5417 58.0841 41.7138 179.4490 875 D 4.4200 8.5219 119.2025 57.1412 40.6754 179.1611 876 K 3.9462 8.0952 119.1082 59.6904 31.7500 179.1165 877 M 4.1632 7.6851 119.8671 57.8754 31.6754 178.8056 878 I 3.7656 7.5332 118.4014 64.5980 37.4704 178.3556 879 R 4.2070 7.8012 115.9245 57.2252 31.4667 176.3720 880 N 5.0697 7.7892 115.6298 51.4367 39.2210 173.2036 881 P 4.7054 0.0000 0.0000 62.4781 32.6010 178.7719 882 A 4.0625 7.9469 123.7644 55.2369 18.5488 179.8283 883 S 4.2754 8.4965 110.7980 60.4210 63.0799 175.5338 884 L 4.6428 7.4059 119.8774 54.4298 41.7308 176.5593 885 K 4.1692 7.8388 124.6616 56.7760 31.9618 176.8590 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 606 F 8.32 4.48 0.00 3.10 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 0.00 607 A 8.22 4.56 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 0.00 608 K 8.98 4.01 0.00 2.00 2.00 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.34 7.81 609 E 8.13 4.41 0.00 2.19 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 2.35 2.43 0.00 610 I 8.74 4.80 1.92 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 1.39 1.19 0.99 0.00 0.00 611 D 9.00 4.60 0.00 2.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 V 8.60 3.73 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 0.67 0.00 0.00 0.91 0.00 0.00 613 S 7.62 4.04 0.00 3.78 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 0.00 614 Y 7.68 4.60 0.00 3.17 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 0.00 615 V 7.68 4.73 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 0.75 0.00 0.00 0.97 0.00 0.00 616 K 8.89 4.47 0.00 1.95 1.65 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.33 1.26 7.81 617 I 8.34 4.26 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.91 0.00 0.00 618 E 8.72 4.79 0.00 1.80 1.66 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 2.19 2.16 0.00 619 E 8.75 3.76 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 620 V 8.47 4.20 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 0.91 0.00 0.00 1.04 0.00 0.00 621 I 8.52 4.45 1.97 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 1.37 0.92 1.00 0.00 0.00 622 G 7.40 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 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0.00 0.00 0.00 0.00 1.54 1.46 7.81 648 T 8.56 5.01 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 1.24 0.00 0.00 649 L 7.92 4.22 0.00 0.27 1.19 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *654 T 8.27 4.21 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 655 E 8.79 4.06 0.00 2.15 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 2.40 1.95 0.00 656 R 8.16 3.97 0.00 1.81 1.97 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 657 Q 7.91 4.36 0.00 2.33 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 658 R 8.21 3.90 0.00 2.02 2.04 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 659 R 8.40 4.12 0.00 1.90 1.84 0.00 3.32 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 1.52 0.00 660 E 8.34 4.33 0.00 1.98 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 2.24 2.19 0.00 661 F 8.03 3.66 0.00 2.18 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 0.00 662 L 7.99 3.66 0.00 1.81 1.65 0.75 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 663 S 8.23 4.47 0.00 4.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 664 E 7.97 4.29 0.00 2.14 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 0.00 2.23 2.06 0.00 665 A 7.72 3.97 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 0.00 666 S 7.94 4.07 0.00 3.97 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 667 I 7.96 3.40 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.87 0.00 0.00 668 M 8.26 3.63 0.00 1.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.46 0.00 0.00 830 I 7.50 3.51 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.79 0.00 0.00 831 N 8.26 4.21 0.00 2.82 2.80 0.00 0.00 6.96 7.75 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 0.00 832 A 7.97 3.92 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 0.00 833 I 7.99 3.79 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.89 0.00 0.00 834 E 8.15 4.04 0.00 2.26 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 0.00 2.32 2.22 0.00 835 Q 7.44 4.44 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.41 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 836 D 7.80 4.55 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 0.00 837 Y 8.01 4.26 0.00 2.90 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 838 R 7.16 4.29 0.00 1.65 1.72 0.00 3.23 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 839 L 7.22 3.57 0.00 0.82 0.88 -1.13 -0.11 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 0.00 840 P 0.00 4.60 0.00 2.23 2.10 0.00 3.81 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 2.17 2.06 0.00 841 P 0.00 4.16 0.00 2.13 1.96 0.00 3.72 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 842 P 0.00 4.29 0.00 2.02 1.53 0.00 3.53 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 1.60 0.98 0.00 843 P 0.00 4.33 0.00 2.02 2.00 0.00 3.68 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 2.01 2.12 0.00 844 D 8.76 4.46 0.00 2.86 2.80 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 0.00 845 C 7.71 4.43 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 0.00 846 P 0.00 4.37 0.00 2.18 2.06 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 847 T 8.59 3.93 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 1.22 0.00 0.00 848 S 7.99 4.12 0.00 4.02 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 0.00 849 L 7.77 3.96 0.00 1.82 1.70 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 850 H 8.05 4.13 0.00 3.13 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 Q 8.13 3.79 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 852 L 7.66 3.95 0.00 1.70 1.71 0.84 1.37 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 0.00 853 M 7.54 3.18 0.00 0.51 1.50 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 2.60 2.27 0.00 854 L 7.08 3.84 0.00 1.58 1.65 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 855 D 7.97 4.41 0.00 2.70 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 0.00 856 C 7.92 4.16 0.00 2.55 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 0.00 857 W 6.82 4.18 0.00 3.03 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 0.00 0.00 0.00 0.00 858 Q 7.38 4.27 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 859 K 9.07 4.07 0.00 2.08 1.93 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.01 7.81 860 D 8.10 4.58 0.00 2.76 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 0.00 861 R 8.65 4.17 0.00 2.11 2.34 0.00 3.15 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 862 N 8.44 4.40 0.00 2.90 2.94 0.00 0.00 6.95 6.79 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 0.00 863 A 7.79 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 864 R 7.37 4.33 0.00 1.99 1.85 0.00 3.41 0.00 0.00 3.66 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.67 0.00 865 P 0.00 4.43 0.00 2.05 1.97 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 866 R 8.80 4.00 0.00 1.94 1.89 0.00 3.13 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 867 F 8.48 4.15 0.00 3.10 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 0.00 868 P 0.00 4.29 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 869 Q 7.99 4.00 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 870 V 7.93 3.50 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 0.80 0.00 0.00 0.73 0.00 0.00 871 V 7.91 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.93 0.00 0.00 872 S 8.22 4.11 0.00 4.03 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 0.00 873 A 8.15 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 874 L 8.02 3.97 0.00 1.87 1.75 1.06 0.91 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 0.00 875 D 8.52 4.42 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 0.00 876 K 8.10 3.95 0.00 2.08 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 877 M 7.69 4.16 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.44 0.00 878 I 7.53 3.77 2.01 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 0.53 0.91 0.00 0.00 879 R 7.80 4.21 0.00 2.06 1.98 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 880 N 7.79 5.07 0.00 2.76 2.69 0.00 0.00 6.62 8.67 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 0.00 881 P 0.00 4.71 0.00 2.22 2.40 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 882 A 7.95 4.06 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 0.00 883 S 8.50 4.28 0.00 3.98 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 0.00 884 L 7.41 4.64 0.00 1.83 1.70 0.96 0.70 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 0.00 885 K 7.84 4.17 0.00 1.87 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.